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 1gw7_1_B 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 RTE 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 -0.337 122.488 122.820 0.008 0.000 4.029 2014 A HA -0.069 4.251 4.320 -0.000 0.000 0.268 2014 A C 2.200 179.786 177.584 0.005 0.000 0.943 2014 A CA 3.043 55.085 52.037 0.008 0.000 1.137 2014 A CB -2.310 16.695 19.000 0.009 0.000 1.074 2014 A HN 2.547 nan 8.150 nan 0.000 0.854 2015 L N -2.138 119.088 121.223 0.004 0.000 2.341 2015 L HA 0.551 4.891 4.340 -0.000 0.000 0.214 2015 L C 2.812 179.682 176.870 0.002 0.000 1.115 2015 L CA 2.439 57.281 54.840 0.002 0.000 0.820 2015 L CB -2.438 39.623 42.059 0.003 0.000 0.944 2015 L HN 1.495 nan 8.230 nan 0.000 0.452 2016 R N 0.442 120.944 120.500 0.003 0.000 2.092 2016 R HA -0.149 4.191 4.340 -0.000 0.000 0.231 2016 R C 2.033 178.333 176.300 0.000 0.000 1.119 2016 R CA 1.617 57.719 56.100 0.002 0.000 0.970 2016 R CB -1.594 28.708 30.300 0.004 0.000 0.864 2016 R HN 0.853 nan 8.270 nan 0.000 0.440 2017 N N 0.093 118.793 118.700 -0.000 0.000 2.300 2017 N HA -0.152 4.588 4.740 -0.000 0.000 0.179 2017 N C 1.927 177.432 175.510 -0.007 0.000 1.016 2017 N CA 1.415 54.463 53.050 -0.004 0.000 0.876 2017 N CB -0.118 38.367 38.487 -0.002 0.000 0.979 2017 N HN 0.698 nan 8.380 nan 0.000 0.432 2018 Q N 1.064 120.861 119.800 -0.005 0.000 2.167 2018 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 2018 Q C 1.751 177.747 176.000 -0.007 0.000 0.970 2018 Q CA 1.180 56.979 55.803 -0.007 0.000 0.855 2018 Q CB 0.204 28.940 28.738 -0.004 0.000 0.911 2018 Q HN 0.428 nan 8.270 nan 0.000 0.438 2019 Q N -0.621 119.176 119.800 -0.005 0.000 2.096 2019 Q HA -0.050 4.290 4.340 -0.000 0.000 0.197 2019 Q C 2.146 178.142 176.000 -0.006 0.000 0.964 2019 Q CA 0.982 56.782 55.803 -0.004 0.000 0.838 2019 Q CB -0.114 28.623 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 1.343 53.374 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 -0.706 118.883 119.600 -0.019 0.000 2.086 2021 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 2021 M C 2.577 178.863 176.300 -0.023 0.000 1.067 2021 M CA 1.720 57.004 55.300 -0.027 0.000 1.116 2021 M CB -1.195 31.389 32.600 -0.028 0.000 1.348 2021 M HN 0.504 nan 8.290 nan 0.000 0.407 2022 A N 0.100 122.911 122.820 -0.016 0.000 1.930 2022 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 2022 A C 2.389 179.967 177.584 -0.010 0.000 1.175 2022 A CA 1.869 53.898 52.037 -0.012 0.000 0.627 2022 A CB -0.788 18.207 19.000 -0.008 0.000 0.815 2022 A HN 0.490 nan 8.150 nan 0.000 0.443 2023 A N 0.302 123.117 122.820 -0.008 0.000 1.898 2023 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 2023 A C 2.084 179.664 177.584 -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 -0.059 118.633 118.700 -0.014 0.000 2.084 2024 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 2024 N C 1.801 177.297 175.510 -0.022 0.000 1.030 2024 N CA 1.813 54.851 53.050 -0.021 0.000 0.849 2024 N CB -0.239 38.228 38.487 -0.033 0.000 1.012 2024 N HN 0.337 nan 8.380 nan 0.000 0.423 2025 L N 1.961 123.169 121.223 -0.024 0.000 2.046 2025 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 2025 L C 2.625 179.487 176.870 -0.014 0.000 1.077 2025 L CA 1.618 56.445 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 0.277 nan 8.230 nan 0.000 0.432 2026 Q N -0.787 119.007 119.800 -0.010 0.000 2.050 2026 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 2026 Q C 2.124 178.122 176.000 -0.003 0.000 0.980 2026 Q CA 1.961 57.761 55.803 -0.005 0.000 0.840 2026 Q CB -0.209 28.527 28.738 -0.002 0.000 0.898 2026 Q HN 0.644 nan 8.270 nan 0.000 0.424 2027 A N 1.199 124.018 122.820 -0.002 0.000 1.933 2027 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 2027 A C 2.112 179.694 177.584 -0.004 0.000 1.175 2027 A CA 1.435 53.472 52.037 0.001 0.000 0.628 2027 A CB -0.675 18.328 19.000 0.005 0.000 0.814 2027 A HN 0.430 nan 8.150 nan 0.000 0.444 2028 R N -0.190 120.304 120.500 -0.010 0.000 2.083 2028 R HA -0.217 4.123 4.340 -0.000 0.000 0.237 2028 R C 2.284 178.578 176.300 -0.009 0.000 1.137 2028 R CA 2.042 58.134 56.100 -0.012 0.000 0.951 2028 R CB -0.378 29.912 30.300 -0.017 0.000 0.851 2028 R HN 0.714 nan 8.270 nan 0.000 0.434 2029 Q N 0.129 119.924 119.800 -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 1.802 57.601 55.803 -0.006 0.000 0.844 2029 Q CB -0.147 28.588 28.738 -0.006 0.000 0.898 2029 Q HN 0.447 nan 8.270 nan 0.000 0.426 2030 I N 0.070 120.639 120.570 -0.002 0.000 2.179 2030 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 2030 I C 2.260 178.375 176.117 -0.002 0.000 1.088 2030 I CA 0.840 62.141 61.300 0.001 0.000 1.357 2030 I CB -0.333 37.671 38.000 0.008 0.000 1.051 2030 I HN 0.046 nan 8.210 nan 0.000 0.409 2031 V N 1.206 121.116 119.914 -0.007 0.000 2.287 2031 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 2031 V C 2.409 178.494 176.094 -0.015 0.000 1.053 2031 V CA 1.832 64.122 62.300 -0.016 0.000 1.027 2031 V CB -0.458 31.350 31.823 -0.024 0.000 0.646 2031 V HN 0.367 nan 8.190 nan 0.000 0.447 2032 L N -0.735 120.480 121.223 -0.013 0.000 2.083 2032 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 2032 L C 2.731 179.593 176.870 -0.014 0.000 1.083 2032 L CA 1.298 56.129 54.840 -0.014 0.000 0.752 2032 L CB -0.581 41.471 42.059 -0.012 0.000 0.899 2032 L HN 0.334 nan 8.230 nan 0.000 0.433 2033 Q N -0.444 119.350 119.800 -0.010 0.000 2.123 2033 Q HA -0.136 4.204 4.340 -0.000 0.000 0.199 2033 Q C 2.249 178.245 176.000 -0.007 0.000 0.966 2033 Q CA 1.172 56.970 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 0.316 120.113 119.800 -0.004 0.000 2.204 2034 Q HA 0.039 4.379 4.340 -0.000 0.000 0.198 2034 Q C 1.184 177.183 176.000 -0.003 0.000 0.946 2034 Q CA 0.340 56.143 55.803 0.001 0.000 0.859 2034 Q CB 0.042 28.785 28.738 0.009 0.000 0.946 2034 Q HN 0.294 nan 8.270 nan 0.000 0.474 2035 S N -1.025 114.669 115.700 -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 57.806 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 0.311 nan 8.310 nan 0.000 0.564 2036 Y N -0.231 120.054 120.300 -0.025 0.000 2.328 2036 Y HA 0.730 5.280 4.550 -0.000 0.000 0.336 2036 Y C -2.855 172.993 175.900 -0.086 0.000 0.960 2036 Y CA -3.248 54.826 58.100 -0.044 0.000 1.134 2036 Y CB 0.980 39.420 38.460 -0.033 0.000 1.166 2036 Y HN 0.830 nan 8.280 nan 0.000 0.464 2037 P HA 0.449 nan 4.420 nan 0.000 0.276 2037 P C -0.842 176.326 177.300 -0.220 0.000 1.230 2037 P CA 0.249 63.260 63.100 -0.148 0.000 0.776 2037 P CB 2.164 33.803 31.700 -0.103 0.000 0.888 2038 V N 5.021 124.697 119.914 -0.396 0.000 2.760 2038 V HA 0.454 4.574 4.120 -0.000 0.000 0.309 2038 V C 0.071 175.923 176.094 -0.403 0.000 1.077 2038 V CA -0.758 61.261 62.300 -0.469 0.000 0.910 2038 V CB 2.432 33.768 31.823 -0.811 0.000 1.008 2038 V HN 0.523 nan 8.190 nan 0.000 0.424 2039 I N 3.549 124.028 120.570 -0.151 0.000 2.418 2039 I HA 0.628 4.798 4.170 -0.000 0.000 0.287 2039 I C -0.697 175.511 176.117 0.151 0.000 1.008 2039 I CA -0.023 61.293 61.300 0.027 0.000 1.104 2039 I CB 1.454 39.475 38.000 0.035 0.000 1.264 2039 I HN 0.836 nan 8.210 nan 0.000 0.438 2040 Q N 6.452 126.433 119.800 0.302 0.000 2.359 2040 Q HA 0.311 4.651 4.340 -0.000 0.000 0.274 2040 Q C -1.374 174.844 176.000 0.363 0.000 1.074 2040 Q CA -0.773 55.237 55.803 0.345 0.000 0.810 2040 Q CB 2.210 31.152 28.738 0.340 0.000 1.342 2040 Q HN 0.734 nan 8.270 nan 0.000 0.427 2041 Q N 1.899 121.847 119.800 0.247 0.000 2.337 2041 Q HA 0.161 4.501 4.340 -0.000 0.000 0.270 2041 Q C 0.140 176.141 176.000 0.002 0.000 1.002 2041 Q CA 0.160 55.892 55.803 -0.118 0.000 0.888 2041 Q CB 0.961 29.547 28.738 -0.255 0.000 1.222 2041 Q HN 0.641 nan 8.270 nan 0.000 0.400 2042 V N 0.067 119.979 119.914 -0.003 0.000 3.572 2042 V HA 0.414 4.534 4.120 -0.000 0.000 0.260 2042 V C 0.113 176.223 176.094 0.028 0.000 1.324 2042 V CA 0.485 62.819 62.300 0.057 0.000 1.068 2042 V CB 0.330 32.233 31.823 0.132 0.000 0.837 2042 V HN 0.840 nan 8.190 nan 0.000 0.450 2043 E N -0.572 119.625 120.200 -0.005 0.000 2.400 2043 E HA 0.538 4.888 4.350 -0.000 0.000 0.285 2043 E C -1.643 174.909 176.600 -0.081 0.000 1.005 2043 E CA -0.310 56.089 56.400 -0.002 0.000 0.816 2043 E CB 2.253 32.012 29.700 0.098 0.000 1.220 2043 E HN 0.231 nan 8.360 nan 0.000 0.426 2044 T N 3.001 117.440 114.554 -0.192 0.000 2.952 2044 T HA 0.468 4.818 4.350 -0.000 0.000 0.305 2044 T C -1.251 173.159 174.700 -0.484 0.000 1.064 2044 T CA -0.690 61.194 62.100 -0.360 0.000 1.008 2044 T CB 1.702 70.434 68.868 -0.226 0.000 1.078 2044 T HN 0.385 nan 8.240 nan 0.000 0.459 2045 Q N 0.928 120.234 119.800 -0.823 0.000 2.377 2045 Q HA 0.538 4.878 4.340 -0.000 0.000 0.279 2045 Q C -1.376 174.356 176.000 -0.446 0.000 1.049 2045 Q CA -0.796 54.648 55.803 -0.599 0.000 0.825 2045 Q CB 2.833 31.167 28.738 -0.672 0.000 1.401 2045 Q HN 0.579 nan 8.270 nan 0.000 0.404 2046 T N 2.624 117.066 114.554 -0.187 0.000 2.824 2046 T HA 0.764 5.114 4.350 -0.000 0.000 0.282 2046 T C -1.030 173.686 174.700 0.028 0.000 0.993 2046 T CA -0.427 61.586 62.100 -0.145 0.000 0.967 2046 T CB 0.381 69.170 68.868 -0.131 0.000 0.960 2046 T HN 0.449 nan 8.240 nan 0.000 0.441 2047 F N -0.047 119.818 119.950 -0.142 0.000 2.685 2047 F HA 0.745 5.272 4.527 0.000 0.000 0.315 2047 F C -1.387 174.397 175.800 -0.027 0.000 1.126 2047 F CA -1.339 56.642 58.000 -0.032 0.000 0.950 2047 F CB 1.209 40.267 39.000 0.097 0.000 1.360 2047 F HN 0.294 nan 8.300 nan 0.000 0.469 2048 D N 1.907 122.417 120.400 0.183 0.000 2.329 2048 D HA 0.428 5.068 4.640 -0.000 0.000 0.232 2048 D C -2.092 174.362 176.300 0.258 0.000 1.088 2048 D CA -2.584 51.471 54.000 0.092 0.000 0.835 2048 D CB 2.072 42.935 40.800 0.105 0.000 1.078 2048 D HN 0.219 nan 8.370 nan 0.000 0.495 2049 P HA -0.100 nan 4.420 nan 0.000 0.220 2049 P C 0.894 178.325 177.300 0.219 0.000 1.144 2049 P CA 1.060 64.310 63.100 0.250 0.000 0.800 2049 P CB 0.279 31.984 31.700 0.009 0.000 0.772 2050 A N -0.628 122.306 122.820 0.189 0.000 2.015 2050 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 2050 A C 2.062 179.720 177.584 0.122 0.000 1.163 2050 A CA 1.591 53.720 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 -0.369 118.412 118.700 0.135 0.000 2.305 2051 N HA 0.039 4.779 4.740 -0.000 0.000 0.179 2051 N C 0.575 176.121 175.510 0.060 0.000 1.019 2051 N CA 1.049 54.155 53.050 0.095 0.000 0.869 2051 N CB 0.075 38.624 38.487 0.103 0.000 1.000 2051 N HN 0.774 nan 8.380 nan 0.000 0.431 2052 R N -1.338 119.221 120.500 0.098 0.000 2.634 2052 R HA 0.436 4.776 4.340 -0.000 0.000 0.263 2052 R C -0.543 175.763 176.300 0.010 0.000 1.060 2052 R CA -0.517 55.555 56.100 -0.046 0.000 0.898 2052 R CB 0.890 31.045 30.300 -0.241 0.000 1.253 2052 R HN -0.042 nan 8.270 nan 0.000 0.461 2053 S N -0.450 115.209 115.700 -0.068 0.000 2.744 2053 S HA 0.186 4.656 4.470 -0.000 0.000 0.265 2053 S C -0.120 174.556 174.600 0.128 0.000 1.065 2053 S CA -0.167 58.109 58.200 0.126 0.000 1.191 2053 S CB 0.786 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 2.988 122.794 119.914 -0.180 0.000 2.398 2054 V HA 0.660 4.780 4.120 -0.000 0.000 0.286 2054 V C -1.202 174.621 176.094 -0.451 0.000 1.026 2054 V CA -0.427 61.780 62.300 -0.155 0.000 0.868 2054 V CB 0.799 32.531 31.823 -0.151 0.000 0.982 2054 V HN 0.398 nan 8.190 nan 0.000 0.443 2055 F N 1.640 121.520 119.950 -0.116 0.000 2.563 2055 F HA 0.540 5.067 4.527 -0.000 0.000 0.316 2055 F C 0.114 175.834 175.800 -0.133 0.000 1.076 2055 F CA -0.863 57.068 58.000 -0.115 0.000 0.921 2055 F CB 2.077 41.017 39.000 -0.099 0.000 1.209 2055 F HN 0.393 nan 8.300 nan 0.000 0.462 2056 D N 2.409 122.839 120.400 0.050 0.000 2.471 2056 D HA 0.382 5.022 4.640 -0.000 0.000 0.245 2056 D C -1.019 175.290 176.300 0.015 0.000 1.116 2056 D CA -0.108 53.883 54.000 -0.015 0.000 0.853 2056 D CB 2.547 43.314 40.800 -0.054 0.000 1.123 2056 D HN 0.107 nan 8.370 nan 0.000 0.540 2057 V N 2.174 122.070 119.914 -0.029 0.000 2.439 2057 V HA 0.259 4.379 4.120 -0.000 0.000 0.282 2057 V C 0.602 176.668 176.094 -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 7.207 121.757 114.554 -0.007 0.000 2.853 2058 T HA 0.371 4.721 4.350 -0.000 0.000 0.317 2058 T C -2.131 172.585 174.700 0.025 0.000 1.059 2058 T CA -0.774 61.322 62.100 -0.008 0.000 0.954 2058 T CB 1.038 69.905 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 -0.534 176.823 177.300 0.094 0.000 1.266 2059 P CA -0.650 62.533 63.100 0.139 0.000 0.793 2059 P CB 0.684 32.581 31.700 0.327 0.000 1.074 2060 A N 1.006 123.870 122.820 0.074 0.000 2.371 2060 A HA 0.173 4.493 4.320 -0.000 0.000 0.257 2060 A C 0.297 177.853 177.584 -0.047 0.000 1.089 2060 A CA -0.488 51.543 52.037 -0.009 0.000 0.794 2060 A CB -0.698 18.266 19.000 -0.061 0.000 1.029 2060 A HN 0.588 nan 8.150 nan 0.000 0.488 2061 N N 0.863 119.532 118.700 -0.053 0.000 3.083 2061 N HA 0.398 5.138 4.740 -0.000 0.000 0.260 2061 N C -1.372 174.076 175.510 -0.102 0.000 1.163 2061 N CA -0.174 52.845 53.050 -0.051 0.000 1.060 2061 N CB 0.648 39.127 38.487 -0.014 0.000 1.345 2061 N HN 0.346 nan 8.380 nan 0.000 0.515 2062 V N 0.956 120.739 119.914 -0.218 0.000 2.483 2062 V HA 0.559 4.679 4.120 -0.000 0.000 0.297 2062 V C 1.006 176.975 176.094 -0.209 0.000 1.027 2062 V CA -0.641 61.502 62.300 -0.261 0.000 0.855 2062 V CB 1.055 32.586 31.823 -0.486 0.000 0.995 2062 V HN 0.734 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 -0.080 174.809 174.900 -0.018 0.000 1.301 2063 G CA 0.506 45.591 45.100 -0.026 0.000 0.974 2063 G HN 0.787 nan 8.290 nan 0.000 0.547 2064 I N 0.765 121.347 120.570 0.019 0.000 2.304 2064 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 2064 I C 0.400 176.551 176.117 0.056 0.000 1.018 2064 I CA -0.688 60.623 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 0.295 nan 8.210 nan 0.000 0.475 2065 V N 7.611 127.532 119.914 0.012 0.000 2.461 2065 V HA 0.150 4.270 4.120 -0.000 0.000 0.275 2065 V C 0.877 176.920 176.094 -0.084 0.000 1.047 2065 V CA -0.220 62.054 62.300 -0.042 0.000 0.955 2065 V CB 1.145 32.905 31.823 -0.105 0.000 0.988 2065 V HN 0.747 nan 8.190 nan 0.000 0.471 2066 K N 2.916 123.271 120.400 -0.074 0.000 2.276 2066 K HA 0.471 4.791 4.320 -0.000 0.000 0.198 2066 K C 0.825 177.358 176.600 -0.112 0.000 1.052 2066 K CA 0.717 57.003 56.287 -0.001 0.000 0.984 2066 K CB 0.599 33.180 32.500 0.136 0.000 0.836 2066 K HN 0.921 nan 8.250 nan 0.000 0.490 2067 G N -0.172 108.346 108.800 -0.469 0.000 2.317 2067 G HA2 0.360 4.320 3.960 -0.000 0.000 0.293 2067 G HA3 0.360 4.320 3.960 -0.000 0.000 0.293 2067 G C -1.958 172.094 174.900 -1.413 0.000 1.287 2067 G CA -1.042 43.439 45.100 -1.033 0.000 0.850 2067 G HN -0.013 nan 8.290 nan 0.000 0.515 2068 F N -0.480 118.868 119.950 -1.004 0.000 2.547 2068 F HA 0.659 5.186 4.527 -0.000 0.000 0.316 2068 F C -0.245 175.424 175.800 -0.218 0.000 1.121 2068 F CA -0.809 56.952 58.000 -0.399 0.000 0.911 2068 F CB 2.348 41.215 39.000 -0.222 0.000 1.179 2068 F HN 0.421 nan 8.300 nan 0.000 0.443 2069 L N 4.492 125.978 121.223 0.438 0.000 2.272 2069 L HA 0.715 5.055 4.340 -0.000 0.000 0.289 2069 L C -1.044 176.167 176.870 0.568 0.000 1.032 2069 L CA -0.503 54.731 54.840 0.658 0.000 0.810 2069 L CB 1.101 43.581 42.059 0.702 0.000 1.205 2069 L HN 0.400 nan 8.230 nan 0.000 0.422 2070 V N 5.690 125.901 119.914 0.495 0.000 2.357 2070 V HA 0.394 4.514 4.120 -0.000 0.000 0.284 2070 V C 0.062 176.334 176.094 0.297 0.000 1.018 2070 V CA -0.802 61.726 62.300 0.380 0.000 0.841 2070 V CB 1.154 33.136 31.823 0.266 0.000 0.991 2070 V HN 0.719 nan 8.190 nan 0.000 0.437 2071 K N 4.296 124.790 120.400 0.156 0.000 2.201 2071 K HA 0.691 5.011 4.320 -0.000 0.000 0.278 2071 K C -1.337 175.242 176.600 -0.035 0.000 1.027 2071 K CA -0.365 55.747 56.287 -0.290 0.000 0.909 2071 K CB 1.536 33.901 32.500 -0.226 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 -0.296 175.811 176.094 0.021 0.000 1.034 2072 V CA -0.841 61.521 62.300 0.103 0.000 0.865 2072 V CB 1.625 33.635 31.823 0.312 0.000 0.995 2072 V HN 1.014 nan 8.190 nan 0.000 0.424 2073 T N 1.267 115.824 114.554 0.004 0.000 2.924 2073 T HA 0.971 5.321 4.350 -0.000 0.000 0.291 2073 T C -0.488 174.216 174.700 0.006 0.000 1.045 2073 T CA -0.472 61.634 62.100 0.010 0.000 1.015 2073 T CB 2.345 71.210 68.868 -0.006 0.000 1.103 2073 T HN 1.431 nan 8.240 nan 0.000 0.496 2074 A N 0.474 123.335 122.820 0.068 0.000 2.612 2074 A HA 0.908 5.228 4.320 -0.000 0.000 0.293 2074 A C -1.065 176.604 177.584 0.140 0.000 1.075 2074 A CA -0.755 51.354 52.037 0.120 0.000 0.680 2074 A CB 1.182 20.367 19.000 0.309 0.000 1.279 2074 A HN 1.722 nan 8.150 nan 0.000 0.411 2075 A N 1.115 124.024 122.820 0.149 0.000 2.330 2075 A HA 0.773 5.093 4.320 -0.000 0.000 0.313 2075 A C -0.909 176.741 177.584 0.110 0.000 1.124 2075 A CA -0.270 51.824 52.037 0.094 0.000 0.774 2075 A CB 0.406 19.433 19.000 0.045 0.000 1.198 2075 A HN 0.765 nan 8.150 nan 0.000 0.465 2076 I N 1.956 122.537 120.570 0.018 0.000 2.436 2076 I HA 0.373 4.543 4.170 -0.000 0.000 0.289 2076 I C -0.279 175.741 176.117 -0.163 0.000 1.010 2076 I CA -0.243 60.996 61.300 -0.103 0.000 1.098 2076 I CB 2.567 40.472 38.000 -0.159 0.000 1.266 2076 I HN 0.560 nan 8.210 nan 0.000 0.434 2077 T N 4.238 118.682 114.554 -0.183 0.000 2.797 2077 T HA 0.241 4.591 4.350 -0.000 0.000 0.279 2077 T C -0.181 174.360 174.700 -0.265 0.000 0.991 2077 T CA -0.559 61.432 62.100 -0.181 0.000 0.979 2077 T CB 1.004 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 2.902 121.455 118.700 -0.245 0.000 2.500 2078 N HA 0.139 4.879 4.740 -0.000 0.000 0.236 2078 N C 0.405 175.830 175.510 -0.142 0.000 1.022 2078 N CA -0.455 52.447 53.050 -0.247 0.000 0.935 2078 N CB 0.257 38.607 38.487 -0.228 0.000 1.147 2078 N HN 0.395 nan 8.380 nan 0.000 0.512 2079 N N 1.425 120.048 118.700 -0.130 0.000 2.461 2079 N HA -0.085 4.655 4.740 -0.000 0.000 0.188 2079 N C -0.162 175.313 175.510 -0.057 0.000 1.134 2079 N CA 0.081 53.080 53.050 -0.086 0.000 0.878 2079 N CB -0.148 38.286 38.487 -0.089 0.000 0.972 2079 N HN 0.647 nan 8.380 nan 0.000 0.456 2080 H N 0.462 119.463 119.070 -0.114 0.000 2.897 2080 H HA 0.159 4.715 4.556 -0.000 0.000 0.347 2080 H C 1.286 176.575 175.328 -0.065 0.000 1.068 2080 H CA 0.325 56.323 56.048 -0.084 0.000 1.426 2080 H CB 1.029 30.740 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 1.978 179.581 177.584 0.031 0.000 1.175 2081 A CA 2.115 54.075 52.037 -0.128 0.000 0.627 2081 A CB -0.475 18.415 19.000 -0.184 0.000 0.815 2081 A HN 0.872 nan 8.150 nan 0.000 0.443 2082 T N -4.830 109.867 114.554 0.237 0.000 3.010 2082 T HA 0.194 4.544 4.350 -0.000 0.000 0.253 2082 T C 0.297 175.078 174.700 0.135 0.000 0.939 2082 T CA -0.221 61.985 62.100 0.177 0.000 0.910 2082 T CB 0.113 69.058 68.868 0.128 0.000 1.226 2082 T HN 0.215 nan 8.240 nan 0.000 0.508 2083 E N 1.684 121.965 120.200 0.134 0.000 2.242 2083 E HA 0.731 5.081 4.350 -0.000 0.000 0.275 2083 E C -0.276 176.240 176.600 -0.139 0.000 1.002 2083 E CA -0.461 55.848 56.400 -0.151 0.000 0.841 2083 E CB 1.950 31.388 29.700 -0.437 0.000 1.109 2083 E HN 0.529 nan 8.360 nan 0.000 0.394 2084 A N 1.611 124.370 122.820 -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 0.763 19.737 19.000 -0.043 0.000 1.239 2084 A HN 0.399 nan 8.150 nan 0.000 0.506 2085 V N -4.019 115.863 119.914 -0.054 0.000 3.078 2085 V HA 0.943 5.063 4.120 -0.000 0.000 0.311 2085 V C -0.238 175.942 176.094 0.145 0.000 1.138 2085 V CA -0.323 61.994 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 2.605 125.564 122.820 0.233 0.000 2.413 2086 A HA 0.862 5.182 4.320 -0.000 0.000 0.307 2086 A C -0.581 177.127 177.584 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 20.552 19.000 0.103 0.000 1.296 2086 A HN 1.089 nan 8.150 nan 0.000 0.423 2087 L N 1.828 123.063 121.223 0.021 0.000 2.514 2087 L HA 0.164 4.504 4.340 -0.000 0.000 0.280 2087 L C 1.505 178.279 176.870 -0.160 0.000 1.223 2087 L CA 0.070 54.719 54.840 -0.319 0.000 0.864 2087 L CB 0.553 42.460 42.059 -0.254 0.000 1.118 2087 L HN 1.004 nan 8.230 nan 0.000 0.494 2088 T N -1.950 112.484 114.554 -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 61.246 62.100 -0.162 0.000 0.966 2088 T CB 0.749 69.489 68.868 -0.214 0.000 1.047 2088 T HN 0.506 nan 8.240 nan 0.000 0.527 2089 D N -0.264 120.037 120.400 -0.165 0.000 2.178 2089 D HA -0.004 4.636 4.640 -0.000 0.000 0.201 2089 D C 1.538 178.003 176.300 0.274 0.000 0.980 2089 D CA 1.035 55.032 54.000 -0.005 0.000 0.842 2089 D CB -0.226 40.523 40.800 -0.086 0.000 0.948 2089 D HN 0.468 nan 8.370 nan 0.000 0.472 2090 F N 0.183 120.077 119.950 -0.094 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 0.453 58.434 58.000 -0.032 0.000 1.442 2090 F CB -0.943 38.015 39.000 -0.071 0.000 1.097 2090 F HN -0.021 nan 8.300 nan 0.000 0.547 2091 G N 2.620 111.452 108.800 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 -1.122 173.758 174.900 -0.033 0.000 1.286 2091 G CA 0.552 45.600 45.100 -0.087 0.000 1.004 2091 G HN 0.209 nan 8.290 nan 0.000 0.548 2092 P HA 0.021 nan 4.420 nan 0.000 0.225 2092 P C 1.652 178.958 177.300 0.010 0.000 1.148 2092 P CA 2.406 65.515 63.100 0.015 0.000 0.779 2092 P CB -0.394 31.307 31.700 0.001 0.000 0.780 2093 A N 0.088 122.871 122.820 -0.061 0.000 2.121 2093 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 2093 A C 1.860 179.568 177.584 0.207 0.000 1.154 2093 A CA 1.055 53.045 52.037 -0.079 0.000 0.679 2093 A CB -1.014 17.821 19.000 -0.275 0.000 0.795 2093 A HN 0.128 nan 8.150 nan 0.000 0.458 2094 N N -0.326 118.499 118.700 0.207 0.000 2.314 2094 N HA 0.175 4.915 4.740 -0.000 0.000 0.200 2094 N C 1.096 176.744 175.510 0.230 0.000 1.135 2094 N CA 0.091 53.286 53.050 0.242 0.000 0.835 2094 N CB 0.046 38.663 38.487 0.216 0.000 0.989 2094 N HN 0.479 nan 8.380 nan 0.000 0.478 2095 L N -0.283 121.110 121.223 0.282 0.000 2.141 2095 L HA -0.018 4.322 4.340 -0.000 0.000 0.209 2095 L C 0.351 177.398 176.870 0.296 0.000 1.094 2095 L CA 0.826 55.862 54.840 0.327 0.000 0.763 2095 L CB 0.175 42.449 42.059 0.359 0.000 0.908 2095 L HN -0.112 nan 8.230 nan 0.000 0.437 2096 V N 0.046 120.056 119.914 0.161 0.000 2.370 2096 V HA 0.117 4.237 4.120 -0.000 0.000 0.283 2096 V C 0.559 176.548 176.094 -0.175 0.000 1.023 2096 V CA -0.517 61.639 62.300 -0.240 0.000 0.857 2096 V CB 1.655 33.021 31.823 -0.762 0.000 0.985 2096 V HN 0.188 nan 8.190 nan 0.000 0.443 2097 Q N 3.507 123.218 119.800 -0.149 0.000 2.089 2097 Q HA 0.207 4.547 4.340 -0.000 0.000 0.195 2097 Q C 0.551 176.451 176.000 -0.166 0.000 0.963 2097 Q CA 1.048 56.808 55.803 -0.072 0.000 0.834 2097 Q CB 0.417 29.149 28.738 -0.009 0.000 0.906 2097 Q HN 0.588 nan 8.270 nan 0.000 0.452 2098 R N -0.560 119.794 120.500 -0.243 0.000 2.668 2098 R HA 0.582 4.922 4.340 -0.000 0.000 0.272 2098 R C -1.431 174.675 176.300 -0.325 0.000 1.019 2098 R CA -0.437 55.510 56.100 -0.255 0.000 0.894 2098 R CB 2.496 32.699 30.300 -0.162 0.000 1.228 2098 R HN -0.158 nan 8.270 nan 0.000 0.460 2099 V N 3.624 123.350 119.914 -0.313 0.000 2.588 2099 V HA 0.598 4.718 4.120 -0.000 0.000 0.304 2099 V C -0.863 175.092 176.094 -0.231 0.000 1.042 2099 V CA -0.776 61.333 62.300 -0.317 0.000 0.877 2099 V CB 1.945 33.547 31.823 -0.370 0.000 0.996 2099 V HN 0.538 nan 8.190 nan 0.000 0.425 2100 I N 4.649 125.101 120.570 -0.196 0.000 2.607 2100 I HA 0.485 4.655 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 -0.511 60.678 61.300 -0.184 0.000 1.042 2100 I CB 2.005 39.930 38.000 -0.126 0.000 1.242 2100 I HN 0.649 nan 8.210 nan 0.000 0.421 2101 Y N 6.004 126.082 120.300 -0.370 0.000 2.429 2101 Y HA 0.719 5.269 4.550 -0.000 0.000 0.342 2101 Y C -1.734 173.901 175.900 -0.442 0.000 1.004 2101 Y CA -0.877 57.032 58.100 -0.319 0.000 1.075 2101 Y CB 1.395 39.696 38.460 -0.265 0.000 1.214 2101 Y HN 0.471 nan 8.280 nan 0.000 0.455 2102 Y N 4.135 123.871 120.300 -0.941 0.000 2.391 2102 Y HA 0.296 4.846 4.550 -0.000 0.000 0.341 2102 Y C -0.264 175.052 175.900 -0.973 0.000 0.965 2102 Y CA -1.131 56.597 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 2.458 122.679 120.400 -0.299 0.000 2.433 2103 D HA 0.241 4.881 4.640 -0.000 0.000 0.255 2103 D C -2.192 174.095 176.300 -0.021 0.000 1.226 2103 D CA -2.195 51.737 54.000 -0.113 0.000 1.015 2103 D CB 0.310 41.219 40.800 0.182 0.000 1.091 2103 D HN 0.163 nan 8.370 nan 0.000 0.527 2104 P HA -0.083 nan 4.420 nan 0.000 0.219 2104 P C 0.120 177.439 177.300 0.031 0.000 1.146 2104 P CA 1.104 64.219 63.100 0.026 0.000 0.808 2104 P CB 0.083 31.808 31.700 0.043 0.000 0.779 2105 D N -1.892 118.544 120.400 0.061 0.000 2.328 2105 D HA 0.019 4.659 4.640 -0.000 0.000 0.226 2105 D C 0.332 176.669 176.300 0.061 0.000 1.066 2105 D CA 0.187 54.222 54.000 0.059 0.000 0.861 2105 D CB -1.030 39.816 40.800 0.077 0.000 0.912 2105 D HN 0.209 nan 8.370 nan 0.000 0.521 2106 N N 0.368 119.104 118.700 0.060 0.000 2.782 2106 N HA -0.245 4.495 4.740 -0.000 0.000 0.251 2106 N C -0.223 175.406 175.510 0.197 0.000 1.101 2106 N CA 0.076 53.172 53.050 0.076 0.000 0.764 2106 N CB -0.412 38.073 38.487 -0.004 0.000 1.122 2106 N HN 0.135 nan 8.380 nan 0.000 0.561 2107 Q N 1.613 121.532 119.800 0.197 0.000 2.267 2107 Q HA 0.267 4.607 4.340 -0.000 0.000 0.255 2107 Q C -0.240 175.892 176.000 0.220 0.000 0.923 2107 Q CA -0.279 55.640 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 3.726 124.279 120.500 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 56.043 56.100 -0.201 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 1.028 120.014 119.070 -0.141 0.000 4.873 2109 H HA 0.149 4.705 4.556 -0.000 0.000 0.150 2109 H C 0.037 175.261 175.328 -0.173 0.000 1.395 2109 H CA -0.460 55.545 56.048 -0.071 0.000 0.838 2109 H CB 0.138 29.944 29.762 0.073 0.000 1.471 2109 H HN 0.442 nan 8.280 nan 0.000 0.374 2110 T N 1.791 116.322 114.554 -0.039 0.000 2.928 2110 T HA 0.011 4.361 4.350 -0.000 0.000 0.305 2110 T C 0.248 174.856 174.700 -0.154 0.000 1.035 2110 T CA 0.605 62.604 62.100 -0.167 0.000 1.145 2110 T CB 0.244 68.974 68.868 -0.229 0.000 0.963 2110 T HN 0.368 nan 8.240 nan 0.000 0.545 2111 E N 2.391 122.510 120.200 -0.135 0.000 2.649 2111 E HA 0.335 4.685 4.350 -0.000 0.000 0.310 2111 E C -1.000 175.544 176.600 -0.092 0.000 1.036 2111 E CA -0.329 55.999 56.400 -0.120 0.000 0.772 2111 E CB 1.101 30.750 29.700 -0.085 0.000 1.513 2111 E HN 0.665 nan 8.360 nan 0.000 0.384 2112 T N 0.471 114.939 114.554 -0.143 0.000 2.671 2112 T HA 0.406 4.756 4.350 -0.000 0.000 0.300 2112 T C -0.895 173.647 174.700 -0.262 0.000 1.238 2112 T CA -0.172 61.837 62.100 -0.152 0.000 1.020 2112 T CB 1.212 70.052 68.868 -0.046 0.000 1.503 2112 T HN 0.356 nan 8.240 nan 0.000 0.497 2113 S N -0.060 115.398 115.700 -0.402 0.000 2.610 2113 S HA 0.494 4.964 4.470 -0.000 0.000 0.273 2113 S C 1.605 175.895 174.600 -0.516 0.000 1.274 2113 S CA 0.016 57.893 58.200 -0.537 0.000 1.023 2113 S CB 0.928 63.515 63.200 -1.022 0.000 0.962 2113 S HN 1.064 nan 8.310 nan 0.000 0.523 2114 G N 1.306 109.878 108.800 -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 1.317 176.178 174.900 -0.065 0.000 1.158 2114 G CA 0.778 45.709 45.100 -0.281 0.000 0.771 2114 G HN 0.961 nan 8.290 nan 0.000 0.545 2115 W N 0.214 121.461 121.300 -0.088 0.000 2.363 2115 W HA -0.057 4.603 4.660 0.000 0.000 0.296 2115 W C 1.798 178.004 176.519 -0.523 0.000 1.212 2115 W CA 0.880 57.979 57.345 -0.410 0.000 1.260 2115 W CB -1.090 28.096 29.460 -0.456 0.000 1.131 2115 W HN 0.425 nan 8.180 nan 0.000 0.530 2116 H N 1.172 119.825 119.070 -0.696 0.000 2.326 2116 H HA -0.178 4.378 4.556 -0.000 0.000 0.301 2116 H C 2.367 177.569 175.328 -0.209 0.000 1.081 2116 H CA 1.769 57.558 56.048 -0.431 0.000 1.334 2116 H CB -0.098 29.220 29.762 -0.740 0.000 1.385 2116 H HN 0.104 nan 8.280 nan 0.000 0.504 2117 L N 1.031 122.012 121.223 -0.403 0.000 2.042 2117 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 2117 L C 2.541 179.306 176.870 -0.175 0.000 1.076 2117 L CA 2.428 57.069 54.840 -0.332 0.000 0.749 2117 L CB -1.157 40.771 42.059 -0.219 0.000 0.893 2117 L HN 0.371 nan 8.230 nan 0.000 0.432 2118 H N -1.060 117.924 119.070 -0.143 0.000 2.353 2118 H HA -0.184 4.372 4.556 0.000 0.000 0.300 2118 H C 1.930 177.233 175.328 -0.043 0.000 1.090 2118 H CA 2.228 58.189 56.048 -0.145 0.000 1.327 2118 H CB -0.547 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 -0.777 119.079 119.950 -0.157 0.000 2.216 2119 F HA -0.154 4.373 4.527 -0.000 0.000 0.300 2119 F C 2.508 178.255 175.800 -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 -0.011 0.000 1.027 2119 F HN 0.083 nan 8.300 nan 0.000 0.497 2120 V N 0.246 120.160 119.914 -0.001 0.000 2.453 2120 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 2120 V C 1.637 177.670 176.094 -0.102 0.000 1.048 2120 V CA 1.948 64.227 62.300 -0.036 0.000 1.049 2120 V CB -0.782 30.951 31.823 -0.149 0.000 0.672 2120 V HN 0.377 nan 8.190 nan 0.000 0.457 2121 N N -0.266 118.278 118.700 -0.260 0.000 2.104 2121 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 2121 N C 1.839 177.201 175.510 -0.247 0.000 1.024 2121 N CA 1.790 54.555 53.050 -0.475 0.000 0.853 2121 N CB -0.208 37.551 38.487 -1.215 0.000 1.008 2121 N HN 0.411 nan 8.380 nan 0.000 0.424 2122 T N 0.601 115.044 114.554 -0.185 0.000 2.708 2122 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 2122 T C 2.067 176.732 174.700 -0.059 0.000 1.037 2122 T CA 1.217 63.285 62.100 -0.055 0.000 1.146 2122 T CB -0.341 68.470 68.868 -0.095 0.000 0.865 2122 T HN 0.332 nan 8.240 nan 0.000 0.435 2123 A N 1.648 124.443 122.820 -0.041 0.000 1.908 2123 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 2123 A C 2.206 179.781 177.584 -0.016 0.000 1.181 2123 A CA 1.698 53.676 52.037 -0.097 0.000 0.627 2123 A CB -0.425 18.485 19.000 -0.151 0.000 0.818 2123 A HN 0.478 nan 8.150 nan 0.000 0.445 2124 K N -0.960 119.438 120.400 -0.004 0.000 2.296 2124 K HA -0.084 4.236 4.320 -0.000 0.000 0.200 2124 K C 2.224 178.811 176.600 -0.021 0.000 1.048 2124 K CA 1.136 57.414 56.287 -0.015 0.000 0.966 2124 K CB -0.031 32.434 32.500 -0.057 0.000 0.754 2124 K HN 0.695 nan 8.250 nan 0.000 0.466 2125 Q N -0.047 119.758 119.800 0.007 0.000 2.212 2125 Q HA -0.062 4.278 4.340 -0.000 0.000 0.199 2125 Q C 0.771 176.761 176.000 -0.016 0.000 0.950 2125 Q CA 1.213 57.027 55.803 0.018 0.000 0.863 2125 Q CB 0.380 29.181 28.738 0.104 0.000 0.944 2125 Q HN 0.389 nan 8.270 nan 0.000 0.465 2126 G N -0.523 108.259 108.800 -0.029 0.000 2.141 2126 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.231 2126 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.231 2126 G C -0.059 174.800 174.900 -0.069 0.000 0.984 2126 G CA 0.162 45.235 45.100 -0.044 0.000 0.660 2126 G HN 0.832 nan 8.290 nan 0.000 0.525 2127 A N -1.315 121.460 122.820 -0.074 0.000 2.567 2127 A HA 0.786 5.106 4.320 -0.000 0.000 0.291 2127 A C -3.152 174.396 177.584 -0.061 0.000 1.048 2127 A CA -0.693 51.292 52.037 -0.087 0.000 0.661 2127 A CB 0.623 19.583 19.000 -0.066 0.000 1.288 2127 A HN 0.170 nan 8.150 nan 0.000 0.424 2128 P HA 0.124 nan 4.420 nan 0.000 0.258 2128 P C -0.363 176.998 177.300 0.102 0.000 1.172 2128 P CA 0.537 63.647 63.100 0.017 0.000 0.762 2128 P CB -0.134 31.578 31.700 0.021 0.000 0.764 2129 F N 5.800 125.745 119.950 -0.008 0.000 2.593 2129 F HA -0.057 4.470 4.527 -0.000 0.000 0.393 2129 F C 1.141 176.960 175.800 0.031 0.000 1.037 2129 F CA 0.341 58.349 58.000 0.012 0.000 1.195 2129 F CB -0.460 38.568 39.000 0.047 0.000 1.034 2129 F HN 0.271 nan 8.300 nan 0.000 0.552 2130 L N 3.569 124.454 121.223 -0.564 0.000 3.839 2130 L HA -0.321 4.019 4.340 -0.000 0.000 0.416 2130 L C 0.610 177.336 176.870 -0.241 0.000 1.195 2130 L CA 0.552 55.070 54.840 -0.537 0.000 0.946 2130 L CB -2.380 39.206 42.059 -0.789 0.000 1.891 2130 L HN 0.720 nan 8.230 nan 0.000 0.963 2131 S N -1.867 113.755 115.700 -0.131 0.000 2.632 2131 S HA 0.533 5.003 4.470 -0.000 0.000 0.267 2131 S C 0.300 174.853 174.600 -0.078 0.000 1.276 2131 S CA -0.061 58.099 58.200 -0.067 0.000 0.998 2131 S CB 2.196 65.382 63.200 -0.024 0.000 0.953 2131 S HN 0.270 nan 8.310 nan 0.000 0.547 2132 S N 1.883 117.553 115.700 -0.050 0.000 2.438 2132 S HA 0.454 4.924 4.470 -0.000 0.000 0.316 2132 S C -0.050 174.530 174.600 -0.034 0.000 1.084 2132 S CA -1.015 57.159 58.200 -0.043 0.000 1.107 2132 S CB -0.386 62.799 63.200 -0.024 0.000 0.981 2132 S HN 0.783 nan 8.310 nan 0.000 0.466 2133 M N 4.306 123.879 119.600 -0.045 0.000 2.242 2133 M HA 0.562 5.042 4.480 -0.000 0.000 0.344 2133 M C -0.905 175.377 176.300 -0.030 0.000 1.140 2133 M CA -0.443 54.832 55.300 -0.042 0.000 1.160 2133 M CB 0.608 33.173 32.600 -0.058 0.000 1.491 2133 M HN 0.248 nan 8.290 nan 0.000 0.459 2134 V N 2.865 122.766 119.914 -0.022 0.000 2.439 2134 V HA 0.584 4.704 4.120 -0.000 0.000 0.282 2134 V C 0.497 176.581 176.094 -0.017 0.000 1.039 2134 V CA -0.136 62.158 62.300 -0.010 0.000 0.913 2134 V CB 1.129 32.949 31.823 -0.004 0.000 0.983 2134 V HN 1.110 nan 8.190 nan 0.000 0.460 2135 T N -0.222 114.326 114.554 -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 -0.248 61.843 62.100 -0.015 0.000 1.011 2135 T CB 1.893 70.737 68.868 -0.039 0.000 1.291 2135 T HN 0.621 nan 8.240 nan 0.000 0.523 2136 D N -0.160 120.241 120.400 0.002 0.000 2.328 2136 D HA 0.079 4.719 4.640 -0.000 0.000 0.226 2136 D C 0.637 176.952 176.300 0.026 0.000 1.066 2136 D CA -0.194 53.812 54.000 0.011 0.000 0.861 2136 D CB -0.345 40.458 40.800 0.005 0.000 0.912 2136 D HN 0.384 nan 8.370 nan 0.000 0.521 2137 S N 1.817 117.542 115.700 0.041 0.000 2.525 2137 S HA 0.090 4.560 4.470 -0.000 0.000 0.285 2137 S C -1.042 173.611 174.600 0.088 0.000 1.283 2137 S CA -0.930 57.320 58.200 0.082 0.000 1.072 2137 S CB 1.015 64.308 63.200 0.156 0.000 0.867 2137 S HN 0.099 nan 8.310 nan 0.000 0.492 2138 P HA 0.069 nan 4.420 nan 0.000 0.225 2138 P C 0.139 177.457 177.300 0.029 0.000 1.156 2138 P CA 0.316 63.439 63.100 0.039 0.000 0.787 2138 P CB -0.031 31.683 31.700 0.025 0.000 0.802 2139 I N 1.109 121.711 120.570 0.052 0.000 2.648 2139 I HA -0.022 4.148 4.170 -0.000 0.000 0.284 2139 I C 1.361 177.426 176.117 -0.087 0.000 1.153 2139 I CA 0.290 61.563 61.300 -0.044 0.000 1.426 2139 I CB 0.193 38.161 38.000 -0.052 0.000 1.381 2139 I HN -0.271 nan 8.210 nan 0.000 0.571 2140 K N 6.508 126.801 120.400 -0.179 0.000 3.233 2140 K HA 0.079 4.399 4.320 -0.000 0.000 0.283 2140 K C -0.726 175.780 176.600 -0.157 0.000 1.209 2140 K CA 0.004 56.214 56.287 -0.129 0.000 1.197 2140 K CB -0.543 31.900 32.500 -0.096 0.000 1.431 2140 K HN 0.385 nan 8.250 nan 0.000 0.326 2141 Y N 0.347 120.635 120.300 -0.020 0.000 2.281 2141 Y HA 0.319 4.869 4.550 0.000 0.000 0.337 2141 Y C 1.542 177.428 175.900 -0.023 0.000 1.304 2141 Y CA 0.540 58.625 58.100 -0.025 0.000 1.465 2141 Y CB 0.941 39.385 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 0.155 0.000 2.302 2142 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.264 2142 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.264 2142 G C -1.775 173.149 174.900 0.039 0.000 1.335 2142 G CA -0.827 44.317 45.100 0.074 0.000 0.982 2142 G HN 0.531 nan 8.290 nan 0.000 0.473 2143 D N 0.575 120.989 120.400 0.023 0.000 2.517 2143 D HA 0.454 5.094 4.640 -0.000 0.000 0.220 2143 D C 1.382 177.689 176.300 0.011 0.000 1.158 2143 D CA 0.085 54.092 54.000 0.012 0.000 0.992 2143 D CB 0.714 41.522 40.800 0.012 0.000 1.058 2143 D HN 0.250 nan 8.370 nan 0.000 0.516 2144 V N 2.844 122.763 119.914 0.008 0.000 2.685 2144 V HA -0.027 4.093 4.120 -0.000 0.000 0.244 2144 V C 1.857 177.953 176.094 0.003 0.000 1.054 2144 V CA 0.787 63.089 62.300 0.002 0.000 1.076 2144 V CB -0.126 31.694 31.823 -0.005 0.000 0.725 2144 V HN 0.559 nan 8.190 nan 0.000 0.467 2145 M N -0.470 119.131 119.600 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 0.073 55.377 55.300 0.006 0.000 1.010 2145 M CB -0.585 32.009 32.600 -0.009 0.000 1.457 2145 M HN 0.378 nan 8.290 nan 0.000 0.486 2146 N N 1.191 119.903 118.700 0.020 0.000 2.699 2146 N HA -0.142 4.598 4.740 -0.000 0.000 0.256 2146 N C 1.027 176.575 175.510 0.063 0.000 0.993 2146 N CA 0.275 53.347 53.050 0.037 0.000 0.759 2146 N CB -1.231 37.283 38.487 0.045 0.000 0.906 2146 N HN 0.155 nan 8.380 nan 0.000 0.541 2147 V N -0.221 119.713 119.914 0.034 0.000 2.287 2147 V HA -0.112 4.008 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 1.562 63.895 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 0.492 121.113 120.570 0.085 0.000 2.410 2148 I HA 0.486 4.656 4.170 -0.000 0.000 0.286 2148 I C -1.130 175.024 176.117 0.061 0.000 1.009 2148 I CA -0.299 61.060 61.300 0.098 0.000 1.111 2148 I CB 1.725 39.766 38.000 0.067 0.000 1.262 2148 I HN 0.230 nan 8.210 nan 0.000 0.443 2149 D N 5.485 125.925 120.400 0.068 0.000 2.736 2149 D HA 0.800 5.440 4.640 -0.000 0.000 0.223 2149 D C -1.591 174.753 176.300 0.073 0.000 1.231 2149 D CA -0.319 53.718 54.000 0.062 0.000 0.818 2149 D CB 2.319 43.158 40.800 0.065 0.000 1.587 2149 D HN 0.675 nan 8.370 nan 0.000 0.463 2150 A N 2.576 125.442 122.820 0.077 0.000 2.532 2150 A HA 0.626 4.946 4.320 -0.000 0.000 0.296 2150 A C -2.821 174.842 177.584 0.131 0.000 1.058 2150 A CA -1.152 50.955 52.037 0.116 0.000 0.729 2150 A CB 1.405 20.456 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 0.271 2151 P C 0.976 178.403 177.300 0.212 0.000 1.216 2151 P CA 0.444 63.639 63.100 0.158 0.000 0.771 2151 P CB 1.326 33.100 31.700 0.123 0.000 0.864 2152 A N 3.506 126.407 122.820 0.136 0.000 1.978 2152 A HA -0.027 4.293 4.320 -0.000 0.000 0.220 2152 A C 1.101 178.801 177.584 0.192 0.000 1.170 2152 A CA 1.869 53.980 52.037 0.123 0.000 0.636 2152 A CB -0.925 18.119 19.000 0.073 0.000 0.810 2152 A HN 0.736 nan 8.150 nan 0.000 0.448 2153 T N -3.718 110.943 114.554 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 1.516 70.426 68.868 0.069 0.000 1.186 2153 T HN 0.176 nan 8.240 nan 0.000 0.499 2154 I N 1.697 122.219 120.570 -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 -1.143 60.050 61.300 -0.179 0.000 1.100 2154 I CB 1.467 39.221 38.000 -0.411 0.000 1.238 2154 I HN 1.029 nan 8.210 nan 0.000 0.445 2155 A N 4.660 127.431 122.820 -0.082 0.000 2.327 2155 A HA 0.702 5.022 4.320 -0.000 0.000 0.255 2155 A C 0.623 178.167 177.584 -0.066 0.000 1.099 2155 A CA -0.248 51.754 52.037 -0.059 0.000 0.801 2155 A CB 0.396 19.375 19.000 -0.035 0.000 1.062 2155 A HN 0.835 nan 8.150 nan 0.000 0.496 2156 A N -0.370 122.428 122.820 -0.037 0.000 2.548 2156 A HA 0.467 4.787 4.320 -0.000 0.000 0.247 2156 A C 1.597 179.163 177.584 -0.030 0.000 1.067 2156 A CA 0.856 52.885 52.037 -0.014 0.000 0.757 2156 A CB -1.092 17.925 19.000 0.029 0.000 0.996 2156 A HN 2.735 nan 8.150 nan 0.000 0.504 2157 G N 0.898 109.671 108.800 -0.044 0.000 2.199 2157 G HA2 0.123 4.083 3.960 -0.000 0.000 0.254 2157 G HA3 0.123 4.083 3.960 -0.000 0.000 0.254 2157 G C 0.579 175.445 174.900 -0.058 0.000 0.982 2157 G CA 0.588 45.659 45.100 -0.049 0.000 0.632 2157 G HN 2.158 nan 8.290 nan 0.000 0.529 2158 A N -0.491 122.287 122.820 -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 0.701 52.695 52.037 -0.072 0.000 0.839 2158 A CB 1.030 19.989 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 1.556 70.395 68.868 -0.049 0.000 0.948 2159 T HN 1.043 nan 8.240 nan 0.000 0.438 2160 G N 1.847 110.600 108.800 -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 -0.950 173.964 174.900 0.023 0.000 1.168 2160 G CA -0.603 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 0.959 121.190 120.200 0.052 0.000 2.171 2161 E HA 0.445 4.795 4.350 -0.000 0.000 0.271 2161 E C -0.386 176.273 176.600 0.099 0.000 0.916 2161 E CA -0.399 56.042 56.400 0.068 0.000 0.774 2161 E CB 2.373 32.102 29.700 0.048 0.000 1.128 2161 E HN 0.313 nan 8.360 nan 0.000 0.403 2162 L N 1.017 122.311 121.223 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 2.059 44.226 42.059 0.180 0.000 1.323 2162 L HN 0.314 nan 8.230 nan 0.000 0.425 2163 T N 2.218 116.825 114.554 0.089 0.000 2.921 2163 T HA 0.672 5.022 4.350 -0.000 0.000 0.297 2163 T C -0.828 173.911 174.700 0.066 0.000 1.013 2163 T CA -0.425 61.717 62.100 0.071 0.000 0.990 2163 T CB 2.232 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 0.689 5.169 4.480 -0.000 0.000 0.289 2164 M C -2.388 173.845 176.300 -0.111 0.000 1.206 2164 M CA -0.736 54.543 55.300 -0.034 0.000 0.892 2164 M CB 1.748 34.300 32.600 -0.080 0.000 1.712 2164 M HN 0.629 nan 8.290 nan 0.000 0.462 2165 Y N 2.574 122.828 120.300 -0.076 0.000 2.477 2165 Y HA 0.693 5.243 4.550 -0.000 0.000 0.347 2165 Y C -1.574 174.358 175.900 0.054 0.000 0.981 2165 Y CA -0.350 57.815 58.100 0.109 0.000 1.033 2165 Y CB 2.082 40.661 38.460 0.199 0.000 1.245 2165 Y HN 0.619 nan 8.280 nan 0.000 0.455 2166 Y N 1.340 121.926 120.300 0.477 0.000 2.477 2166 Y HA 0.268 4.818 4.550 -0.000 0.000 0.347 2166 Y C -0.940 175.183 175.900 0.373 0.000 0.981 2166 Y CA -1.505 56.779 58.100 0.308 0.000 1.033 2166 Y CB 1.956 40.475 38.460 0.098 0.000 1.245 2166 Y HN 0.644 nan 8.280 nan 0.000 0.455 2167 W N 5.186 126.585 121.300 0.164 0.000 2.329 2167 W HA 0.652 5.312 4.660 -0.000 0.000 0.312 2167 W C -1.833 174.713 176.519 0.044 0.000 1.054 2167 W CA -1.003 56.425 57.345 0.138 0.000 1.245 2167 W CB 1.400 30.906 29.460 0.076 0.000 1.255 2167 W HN 0.302 nan 8.180 nan 0.000 0.436 2168 V N 9.453 129.070 119.914 -0.495 0.000 2.334 2168 V HA 0.181 4.301 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 -1.576 60.444 62.300 -0.467 0.000 0.866 2168 V CB 0.902 32.572 31.823 -0.256 0.000 1.019 2168 V HN 0.365 nan 8.190 nan 0.000 0.468 2169 P HA 0.373 nan 4.420 nan 0.000 0.282 2169 P C 0.069 177.245 177.300 -0.207 0.000 1.249 2169 P CA -0.279 62.633 63.100 -0.313 0.000 0.806 2169 P CB 2.447 34.265 31.700 0.197 0.000 0.984 2170 L N 1.476 122.632 121.223 -0.111 0.000 2.590 2170 L HA 0.317 4.657 4.340 -0.000 0.000 0.181 2170 L C 1.386 178.393 176.870 0.228 0.000 1.134 2170 L CA 0.121 54.919 54.840 -0.069 0.000 0.850 2170 L CB -0.834 41.065 42.059 -0.267 0.000 1.172 2170 L HN 0.325 nan 8.230 nan 0.000 0.498 2171 A N -0.936 121.997 122.820 0.188 0.000 2.407 2171 A HA -0.010 4.310 4.320 -0.000 0.000 0.248 2171 A C 0.543 178.319 177.584 0.319 0.000 1.082 2171 A CA -0.002 52.171 52.037 0.228 0.000 0.785 2171 A CB -0.012 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 2.216 122.538 120.300 0.036 0.000 2.181 2172 Y HA -0.029 4.521 4.550 0.000 0.000 0.288 2172 Y C 1.227 177.112 175.900 -0.024 0.000 1.146 2172 Y CA 1.736 59.685 58.100 -0.252 0.000 1.164 2172 Y CB 0.016 38.333 38.460 -0.238 0.000 0.982 2172 Y HN 0.874 nan 8.280 nan 0.000 0.515 2173 S N -2.464 113.234 115.700 -0.004 0.000 2.727 2173 S HA 0.265 4.735 4.470 -0.000 0.000 0.278 2173 S C 0.305 174.908 174.600 0.004 0.000 1.186 2173 S CA -0.648 57.503 58.200 -0.081 0.000 0.836 2173 S CB 1.099 64.225 63.200 -0.123 0.000 1.186 2173 S HN 0.077 nan 8.310 nan 0.000 0.499 2174 E N 1.108 121.281 120.200 -0.045 0.000 2.274 2174 E HA -0.004 4.346 4.350 -0.000 0.000 0.194 2174 E C 1.679 178.273 176.600 -0.012 0.000 0.996 2174 E CA 1.819 58.196 56.400 -0.037 0.000 0.840 2174 E CB -0.320 29.329 29.700 -0.085 0.000 0.772 2174 E HN 0.848 nan 8.360 nan 0.000 0.491 2175 T N -2.476 112.079 114.554 0.002 0.000 2.985 2175 T HA 0.058 4.408 4.350 -0.000 0.000 0.254 2175 T C 0.423 175.144 174.700 0.034 0.000 1.021 2175 T CA -0.313 61.794 62.100 0.013 0.000 0.957 2175 T CB 0.433 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 0.673 177.021 176.300 0.080 0.000 1.094 2176 D CA -0.680 53.372 54.000 0.087 0.000 0.868 2176 D CB 0.944 41.858 40.800 0.192 0.000 1.062 2176 D HN 0.213 nan 8.370 nan 0.000 0.530 2177 L N 2.442 123.682 121.223 0.030 0.000 2.627 2177 L HA 0.071 4.411 4.340 -0.000 0.000 0.233 2177 L C 0.779 177.652 176.870 0.004 0.000 1.144 2177 L CA 0.214 55.071 54.840 0.029 0.000 0.892 2177 L CB -0.404 41.662 42.059 0.012 0.000 1.039 2177 L HN 0.257 nan 8.230 nan 0.000 0.442 2178 T N 0.779 115.299 114.554 -0.057 0.000 2.871 2178 T HA 0.227 4.577 4.350 -0.000 0.000 0.296 2178 T C 1.247 175.928 174.700 -0.032 0.000 0.998 2178 T CA 1.082 63.067 62.100 -0.193 0.000 1.162 2178 T CB 0.875 69.401 68.868 -0.570 0.000 0.947 2178 T HN 0.637 nan 8.240 nan 0.000 0.536 2179 G N 2.124 110.936 108.800 0.021 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 0.390 175.402 174.900 0.187 0.000 0.997 2179 G CA -0.020 45.200 45.100 0.200 0.000 0.623 2179 G HN 1.160 nan 8.290 nan 0.000 0.514 2180 A N -0.408 122.478 122.820 0.109 0.000 2.429 2180 A HA 0.613 4.933 4.320 -0.000 0.000 0.242 2180 A C 0.393 178.019 177.584 0.070 0.000 1.088 2180 A CA 0.913 52.989 52.037 0.065 0.000 0.784 2180 A CB 0.786 19.812 19.000 0.044 0.000 1.038 2180 A HN 1.230 nan 8.150 nan 0.000 0.501 2181 V N 1.900 121.834 119.914 0.032 0.000 2.487 2181 V HA 0.300 4.420 4.120 -0.000 0.000 0.298 2181 V C -0.553 175.569 176.094 0.046 0.000 1.028 2181 V CA -0.514 61.822 62.300 0.060 0.000 0.860 2181 V CB 1.423 33.279 31.823 0.055 0.000 0.991 2181 V HN 0.781 nan 8.190 nan 0.000 0.427 2182 L N 5.452 126.708 121.223 0.054 0.000 2.295 2182 L HA 0.663 5.003 4.340 -0.000 0.000 0.288 2182 L C 0.577 177.473 176.870 0.045 0.000 1.079 2182 L CA 0.180 55.040 54.840 0.034 0.000 0.830 2182 L CB 0.683 42.764 42.059 0.036 0.000 1.200 2182 L HN 0.743 nan 8.230 nan 0.000 0.438 2183 A N 4.829 127.666 122.820 0.028 0.000 2.937 2183 A HA 0.417 4.737 4.320 -0.000 0.000 0.338 2183 A C 0.340 177.932 177.584 0.013 0.000 1.273 2183 A CA -0.435 51.619 52.037 0.029 0.000 0.937 2183 A CB -0.580 18.438 19.000 0.030 0.000 1.133 2183 A HN 0.805 nan 8.150 nan 0.000 0.491 2184 N N 0.486 119.205 118.700 0.032 0.000 2.193 2184 N HA 0.007 4.747 4.740 -0.000 0.000 0.210 2184 N C -0.341 175.194 175.510 0.043 0.000 1.215 2184 N CA 0.136 53.211 53.050 0.042 0.000 0.901 2184 N CB -0.008 38.526 38.487 0.079 0.000 1.060 2184 N HN 0.152 nan 8.380 nan 0.000 0.508 2185 V N 3.205 123.142 119.914 0.038 0.000 2.400 2185 V HA 0.184 4.304 4.120 -0.000 0.000 0.263 2185 V C -2.142 173.965 176.094 0.022 0.000 1.026 2185 V CA -0.815 61.505 62.300 0.032 0.000 1.077 2185 V CB -0.323 31.519 31.823 0.031 0.000 1.054 2185 V HN 0.073 nan 8.190 nan 0.000 0.477 2186 P HA 0.406 nan 4.420 nan 0.000 0.271 2186 P C 0.587 177.893 177.300 0.009 0.000 1.220 2186 P CA 1.187 64.295 63.100 0.013 0.000 0.768 2186 P CB 0.716 32.425 31.700 0.014 0.000 0.848 2187 Q N -0.221 119.581 119.800 0.004 0.000 2.376 2187 Q HA -0.194 4.146 4.340 -0.000 0.000 0.187 2187 Q C 0.557 176.554 176.000 -0.004 0.000 0.603 2187 Q CA 1.494 57.296 55.803 -0.001 0.000 1.346 2187 Q CB -2.876 25.862 28.738 -0.000 0.000 1.243 2187 Q HN 0.780 nan 8.270 nan 0.000 0.930 2188 S N 0.970 116.670 115.700 -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 0.058 58.256 58.200 -0.004 0.000 1.153 2188 S CB 0.145 63.349 63.200 0.006 0.000 1.009 2188 S HN 0.957 nan 8.310 nan 0.000 0.479 2189 K N 1.516 121.905 120.400 -0.018 0.000 2.154 2189 K HA 0.514 4.834 4.320 -0.000 0.000 0.264 2189 K C -0.172 176.405 176.600 -0.039 0.000 1.008 2189 K CA -0.603 55.672 56.287 -0.020 0.000 0.937 2189 K CB 0.709 33.193 32.500 -0.027 0.000 1.002 2189 K HN 0.591 nan 8.250 nan 0.000 0.469 2190 Q N 0.769 120.552 119.800 -0.028 0.000 2.237 2190 Q HA 0.309 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 1.100 29.866 28.738 0.047 0.000 1.173 2190 Q HN 0.569 nan 8.270 nan 0.000 0.527 2191 R N 0.570 120.919 120.500 -0.252 0.000 2.522 2191 R HA 0.421 4.761 4.340 -0.000 0.000 0.283 2191 R C -2.196 173.975 176.300 -0.216 0.000 1.074 2191 R CA -0.645 55.352 56.100 -0.172 0.000 0.925 2191 R CB 1.002 31.235 30.300 -0.112 0.000 1.205 2191 R HN 0.504 nan 8.270 nan 0.000 0.436 2192 L N 4.177 125.286 121.223 -0.190 0.000 2.318 2192 L HA 0.487 4.827 4.340 -0.000 0.000 0.277 2192 L C -1.001 175.758 176.870 -0.186 0.000 1.008 2192 L CA -0.197 54.506 54.840 -0.229 0.000 0.846 2192 L CB 1.225 43.004 42.059 -0.467 0.000 1.220 2192 L HN 0.591 nan 8.230 nan 0.000 0.423 2193 K N 5.437 125.753 120.400 -0.141 0.000 2.183 2193 K HA 0.621 4.941 4.320 -0.000 0.000 0.274 2193 K C -1.522 174.943 176.600 -0.225 0.000 1.009 2193 K CA -0.500 55.708 56.287 -0.132 0.000 0.888 2193 K CB 0.743 33.209 32.500 -0.056 0.000 1.078 2193 K HN 0.690 nan 8.250 nan 0.000 0.459 2194 L N 4.270 125.336 121.223 -0.262 0.000 2.349 2194 L HA 0.371 4.711 4.340 -0.000 0.000 0.278 2194 L C -0.583 176.050 176.870 -0.395 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 -1.025 175.418 176.600 -0.262 0.000 0.917 2195 E CA -0.445 55.830 56.400 -0.208 0.000 0.757 2195 E CB 1.284 30.903 29.700 -0.135 0.000 1.111 2195 E HN 0.264 nan 8.360 nan 0.000 0.410 2196 F N 1.300 121.254 119.950 0.006 0.000 2.375 2196 F HA 0.361 4.888 4.527 0.000 0.000 0.313 2196 F C 1.177 177.002 175.800 0.042 0.000 1.176 2196 F CA -0.638 57.388 58.000 0.044 0.000 1.142 2196 F CB 0.574 39.681 39.000 0.178 0.000 1.275 2196 F HN 0.379 nan 8.300 nan 0.000 0.544 2197 A N 1.529 124.504 122.820 0.258 0.000 2.386 2197 A HA 0.447 4.767 4.320 -0.000 0.000 0.246 2197 A C -0.312 177.338 177.584 0.109 0.000 1.089 2197 A CA -0.149 51.992 52.037 0.173 0.000 0.790 2197 A CB -0.080 19.058 19.000 0.230 0.000 1.042 2197 A HN 0.894 nan 8.150 nan 0.000 0.497 2198 N N -1.060 117.748 118.700 0.180 0.000 3.316 2198 N HA 0.217 4.957 4.740 -0.000 0.000 0.300 2198 N C -0.202 175.537 175.510 0.381 0.000 1.567 2198 N CA -0.732 52.450 53.050 0.220 0.000 0.821 2198 N CB 0.260 38.856 38.487 0.181 0.000 1.748 2198 N HN 0.295 nan 8.380 nan 0.000 0.603 2199 N N -0.536 118.413 118.700 0.414 0.000 2.520 2199 N HA -0.029 4.711 4.740 -0.000 0.000 0.185 2199 N C -0.061 175.631 175.510 0.304 0.000 1.068 2199 N CA 0.666 53.985 53.050 0.450 0.000 0.911 2199 N CB -0.523 38.217 38.487 0.422 0.000 0.961 2199 N HN 0.564 nan 8.380 nan 0.000 0.446 2200 N N -0.860 117.960 118.700 0.200 0.000 2.356 2200 N HA -0.021 4.719 4.740 -0.000 0.000 0.178 2200 N C 1.462 177.033 175.510 0.102 0.000 1.075 2200 N CA 0.732 53.871 53.050 0.148 0.000 0.889 2200 N CB 0.418 38.977 38.487 0.121 0.000 0.999 2200 N HN 0.250 nan 8.380 nan 0.000 0.464 2201 T N -3.113 111.484 114.554 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 0.096 69.008 68.868 0.073 0.000 0.983 2201 T HN 0.035 nan 8.240 nan 0.000 0.482 2202 A N 0.768 123.447 122.820 -0.234 0.000 2.119 2202 A HA 0.432 4.752 4.320 -0.000 0.000 0.216 2202 A C 0.310 177.470 177.584 -0.707 0.000 1.152 2202 A CA 0.109 51.801 52.037 -0.575 0.000 0.708 2202 A CB -0.607 17.832 19.000 -0.935 0.000 0.805 2202 A HN 0.601 nan 8.150 nan 0.000 0.460 2203 F N -0.506 119.503 119.950 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 -0.794 57.248 58.000 0.069 0.000 0.962 2203 F CB 1.660 40.681 39.000 0.034 0.000 1.171 2203 F HN 0.065 nan 8.300 nan 0.000 0.436 2204 A N 2.369 125.307 122.820 0.196 0.000 2.304 2204 A HA 0.848 5.168 4.320 -0.000 0.000 0.323 2204 A C -0.103 177.539 177.584 0.096 0.000 1.195 2204 A CA -0.558 51.547 52.037 0.114 0.000 0.826 2204 A CB 0.659 19.695 19.000 0.059 0.000 1.184 2204 A HN 0.897 nan 8.150 nan 0.000 0.496 2205 A N 1.762 124.626 122.820 0.073 0.000 2.346 2205 A HA 0.528 4.848 4.320 -0.000 0.000 0.252 2205 A C 0.430 178.031 177.584 0.028 0.000 1.089 2205 A CA -0.304 51.760 52.037 0.045 0.000 0.797 2205 A CB -0.026 18.998 19.000 0.040 0.000 1.047 2205 A HN 1.176 nan 8.150 nan 0.000 0.494 2206 V N 1.053 120.974 119.914 0.011 0.000 2.694 2206 V HA 0.369 4.489 4.120 -0.000 0.000 0.306 2206 V C 1.714 177.813 176.094 0.007 0.000 1.054 2206 V CA 1.818 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 1.965 nan 8.190 nan 0.000 0.490 2207 G N 3.212 112.016 108.800 0.006 0.000 2.253 2207 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.251 2207 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.251 2207 G C 0.447 175.351 174.900 0.007 0.000 0.998 2207 G CA 0.329 45.431 45.100 0.002 0.000 0.621 2207 G HN 1.516 nan 8.290 nan 0.000 0.524 2208 A N -0.147 122.683 122.820 0.017 0.000 2.287 2208 A HA 0.642 4.962 4.320 -0.000 0.000 0.273 2208 A C 0.525 178.125 177.584 0.027 0.000 1.091 2208 A CA 0.182 52.233 52.037 0.023 0.000 0.817 2208 A CB 0.352 19.373 19.000 0.035 0.000 1.069 2208 A HN 0.550 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 -1.685 173.847 175.510 0.037 0.000 1.175 2209 N CA -1.453 51.630 53.050 0.056 0.000 0.945 2209 N CB 1.009 39.531 38.487 0.058 0.000 1.063 2209 N HN 0.343 nan 8.380 nan 0.000 0.472 2210 P HA -0.027 nan 4.420 nan 0.000 0.255 2210 P C 1.579 178.710 177.300 -0.281 0.000 1.248 2210 P CA -0.097 62.935 63.100 -0.113 0.000 0.807 2210 P CB 0.490 32.103 31.700 -0.145 0.000 1.150 2211 L N 1.657 122.721 121.223 -0.265 0.000 2.011 2211 L HA -0.211 4.129 4.340 -0.000 0.000 0.225 2211 L C 1.816 178.492 176.870 -0.323 0.000 1.084 2211 L CA 2.232 56.795 54.840 -0.461 0.000 0.791 2211 L CB -0.913 41.095 42.059 -0.085 0.000 0.898 2211 L HN -0.088 nan 8.230 nan 0.000 0.440 2212 E N -0.140 120.024 120.200 -0.060 0.000 2.474 2212 E HA 0.276 4.626 4.350 -0.000 0.000 0.195 2212 E C 0.732 177.361 176.600 0.047 0.000 1.039 2212 E CA 0.577 57.027 56.400 0.084 0.000 0.881 2212 E CB -0.094 29.686 29.700 0.134 0.000 0.970 2212 E HN 0.578 nan 8.360 nan 0.000 0.486 2213 A N 0.873 123.672 122.820 -0.034 0.000 2.271 2213 A HA 0.486 4.806 4.320 -0.000 0.000 0.288 2213 A C 1.118 178.671 177.584 -0.052 0.000 1.094 2213 A CA -0.431 51.583 52.037 -0.039 0.000 0.828 2213 A CB 0.505 19.489 19.000 -0.027 0.000 1.091 2213 A HN 0.045 nan 8.150 nan 0.000 0.493 2214 I N -1.529 119.005 120.570 -0.060 0.000 3.039 2214 I HA 0.115 4.285 4.170 -0.000 0.000 0.270 2214 I C -0.352 175.585 176.117 -0.301 0.000 1.150 2214 I CA 0.669 61.898 61.300 -0.118 0.000 1.448 2214 I CB -0.011 37.981 38.000 -0.014 0.000 1.197 2214 I HN 0.586 nan 8.210 nan 0.000 0.450 2215 Y N 0.402 120.746 120.300 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 0.110 0.000 0.987 2215 Y CA -0.721 57.449 58.100 0.116 0.000 1.044 2215 Y CB 1.789 40.367 38.460 0.196 0.000 1.245 2215 Y HN -0.059 nan 8.280 nan 0.000 0.461 2216 Q N 1.519 121.443 119.800 0.207 0.000 2.359 2216 Q HA 0.763 5.103 4.340 -0.000 0.000 0.274 2216 Q C -1.003 175.052 176.000 0.092 0.000 1.074 2216 Q CA -0.631 55.245 55.803 0.122 0.000 0.810 2216 Q CB 2.618 31.384 28.738 0.047 0.000 1.342 2216 Q HN 0.963 nan 8.270 nan 0.000 0.427 2217 G N 0.432 109.262 108.800 0.050 0.000 2.320 2217 G HA2 0.372 4.332 3.960 -0.000 0.000 0.297 2217 G HA3 0.372 4.332 3.960 -0.000 0.000 0.297 2217 G C -0.372 174.497 174.900 -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 0.366 4.686 4.320 -0.000 0.000 0.216 2218 A C 2.159 179.522 177.584 -0.368 0.000 1.154 2218 A CA 2.541 54.472 52.037 -0.177 0.000 0.701 2218 A CB -0.374 18.526 19.000 -0.167 0.000 0.789 2218 A HN 1.936 nan 8.150 nan 0.000 0.465 2219 G N -1.715 106.874 108.800 -0.352 0.000 3.126 2219 G HA2 0.339 4.298 3.960 -0.000 0.000 0.224 2219 G HA3 0.339 4.298 3.960 -0.000 0.000 0.224 2219 G C 1.304 176.102 174.900 -0.169 0.000 1.142 2219 G CA 0.836 45.669 45.100 -0.445 0.000 0.759 2219 G HN 0.581 nan 8.290 nan 0.000 0.550 2220 A N 1.509 124.266 122.820 -0.105 0.000 1.927 2220 A HA 0.063 4.383 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 2.331 54.346 52.037 -0.037 0.000 0.639 2220 A CB -0.732 18.314 19.000 0.076 0.000 0.820 2220 A HN 0.826 nan 8.150 nan 0.000 0.451 2221 A N -0.745 122.089 122.820 0.024 0.000 2.024 2221 A HA -0.144 4.176 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 1.895 53.962 52.037 0.051 0.000 0.643 2221 A CB -0.395 18.650 19.000 0.074 0.000 0.806 2221 A HN 0.451 nan 8.150 nan 0.000 0.451 2222 D N -1.465 118.935 120.400 -0.001 0.000 2.363 2222 D HA 0.187 4.827 4.640 -0.000 0.000 0.214 2222 D C -0.155 176.027 176.300 -0.196 0.000 1.093 2222 D CA -0.129 53.841 54.000 -0.050 0.000 0.837 2222 D CB -0.210 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 1.772 120.832 119.300 -0.401 0.000 2.539 2223 C HA 0.555 5.015 4.460 -0.000 0.000 0.392 2223 C C 0.575 175.098 174.990 -0.778 0.000 1.269 2223 C CA -0.542 57.989 59.018 -0.812 0.000 2.250 2223 C CB 0.132 26.931 27.740 -1.568 0.000 2.584 2223 C HN 0.384 nan 8.230 nan 0.000 0.589 2224 E N 0.987 120.840 120.200 -0.578 0.000 2.390 2224 E HA 0.484 4.834 4.350 -0.000 0.000 0.280 2224 E C -1.702 174.883 176.600 -0.025 0.000 0.992 2224 E CA -0.663 55.663 56.400 -0.123 0.000 0.790 2224 E CB 0.683 30.376 29.700 -0.011 0.000 1.248 2224 E HN 0.425 nan 8.360 nan 0.000 0.447 2225 F N 1.729 121.812 119.950 0.223 0.000 2.412 2225 F HA 0.176 4.703 4.527 0.000 0.000 0.348 2225 F C 1.616 177.442 175.800 0.044 0.000 1.102 2225 F CA -0.179 57.908 58.000 0.146 0.000 1.196 2225 F CB 1.193 40.263 39.000 0.117 0.000 1.144 2225 F HN 0.541 nan 8.300 nan 0.000 0.541 2226 E N 1.719 122.036 120.200 0.195 0.000 2.122 2226 E HA -0.022 4.328 4.350 -0.000 0.000 0.190 2226 E C 0.010 176.645 176.600 0.059 0.000 0.977 2226 E CA 0.758 57.212 56.400 0.090 0.000 0.820 2226 E CB 0.084 29.809 29.700 0.042 0.000 0.770 2226 E HN 0.824 nan 8.360 nan 0.000 0.462 2227 E N -0.966 119.262 120.200 0.046 0.000 2.403 2227 E HA 0.511 4.861 4.350 -0.000 0.000 0.280 2227 E C -1.079 175.362 176.600 -0.266 0.000 1.101 2227 E CA -0.538 55.777 56.400 -0.143 0.000 0.856 2227 E CB 0.880 30.498 29.700 -0.137 0.000 1.303 2227 E HN -0.130 nan 8.360 nan 0.000 0.441 2228 I N 0.891 121.050 120.570 -0.685 0.000 2.686 2228 I HA 0.498 4.668 4.170 -0.000 0.000 0.295 2228 I C -0.991 174.654 176.117 -0.786 0.000 1.114 2228 I CA -0.846 59.979 61.300 -0.791 0.000 1.038 2228 I CB 2.389 39.634 38.000 -1.258 0.000 1.238 2228 I HN 0.531 nan 8.210 nan 0.000 0.420 2229 S N 3.812 119.264 115.700 -0.413 0.000 2.536 2229 S HA 0.722 5.192 4.470 -0.000 0.000 0.287 2229 S C -1.479 173.038 174.600 -0.138 0.000 1.101 2229 S CA -0.601 57.425 58.200 -0.290 0.000 0.950 2229 S CB 1.967 65.047 63.200 -0.200 0.000 1.056 2229 S HN 0.524 nan 8.310 nan 0.000 0.481 2230 Y N -1.063 119.141 120.300 -0.160 0.000 2.553 2230 Y HA 0.865 5.415 4.550 -0.000 0.000 0.347 2230 Y C -0.909 174.959 175.900 -0.055 0.000 1.019 2230 Y CA -0.872 57.190 58.100 -0.063 0.000 1.032 2230 Y CB 1.182 39.660 38.460 0.030 0.000 1.284 2230 Y HN 0.426 nan 8.280 nan 0.000 0.466 2231 T N 2.940 117.607 114.554 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 0.157 0.000 1.000 2231 T CA -0.650 61.478 62.100 0.047 0.000 0.989 2231 T CB 1.422 70.258 68.868 -0.054 0.000 1.005 2231 T HN 0.623 nan 8.240 nan 0.000 0.442 2232 V N 4.279 124.266 119.914 0.121 0.000 2.370 2232 V HA 0.451 4.571 4.120 -0.000 0.000 0.279 2232 V C -1.056 175.079 176.094 0.068 0.000 1.029 2232 V CA -0.725 61.682 62.300 0.177 0.000 0.870 2232 V CB 0.586 32.516 31.823 0.179 0.000 0.984 2232 V HN 0.809 nan 8.190 nan 0.000 0.451 2233 Y N 3.159 123.639 120.300 0.300 0.000 2.341 2233 Y HA 0.495 5.045 4.550 -0.000 0.000 0.337 2233 Y C 0.329 176.408 175.900 0.299 0.000 1.014 2233 Y CA -0.302 57.965 58.100 0.278 0.000 1.111 2233 Y CB 1.688 40.307 38.460 0.266 0.000 1.194 2233 Y HN 0.565 nan 8.280 nan 0.000 0.462 2234 Q N 2.247 122.285 119.800 0.397 0.000 2.290 2234 Q HA 0.444 4.784 4.340 -0.000 0.000 0.259 2234 Q C -0.926 175.202 176.000 0.214 0.000 0.941 2234 Q CA -0.576 55.341 55.803 0.190 0.000 0.912 2234 Q CB 1.362 30.241 28.738 0.236 0.000 1.244 2234 Q HN 0.655 nan 8.270 nan 0.000 0.441 2235 S N 4.213 119.947 115.700 0.056 0.000 2.437 2235 S HA 0.647 5.117 4.470 -0.000 0.000 0.305 2235 S C -1.376 173.300 174.600 0.128 0.000 1.109 2235 S CA -0.348 57.931 58.200 0.130 0.000 1.099 2235 S CB 0.267 63.656 63.200 0.315 0.000 1.004 2235 S HN 0.573 nan 8.310 nan 0.000 0.475 2236 Y N 1.965 122.256 120.300 -0.015 0.000 2.705 2236 Y HA 0.704 5.254 4.550 -0.000 0.000 0.332 2236 Y C -1.877 174.014 175.900 -0.014 0.000 1.221 2236 Y CA -1.563 56.517 58.100 -0.034 0.000 1.059 2236 Y CB 0.862 39.297 38.460 -0.043 0.000 1.298 2236 Y HN 0.413 nan 8.280 nan 0.000 0.459 2237 L N 2.423 123.742 121.223 0.160 0.000 2.313 2237 L HA 0.468 4.808 4.340 -0.000 0.000 0.283 2237 L C -0.914 176.048 176.870 0.153 0.000 1.013 2237 L CA -0.541 54.329 54.840 0.051 0.000 0.816 2237 L CB 1.391 43.462 42.059 0.020 0.000 1.236 2237 L HN 0.678 nan 8.230 nan 0.000 0.419 2238 D N 1.628 122.081 120.400 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 0.040 54.122 54.000 0.135 0.000 1.040 2238 D CB 1.097 41.998 40.800 0.169 0.000 1.175 2238 D HN 0.311 nan 8.370 nan 0.000 0.584 2239 Q N -0.053 119.782 119.800 0.057 0.000 2.452 2239 Q HA -0.179 4.161 4.340 -0.000 0.000 0.318 2239 Q C -0.541 175.467 176.000 0.014 0.000 1.386 2239 Q CA 0.399 56.229 55.803 0.045 0.000 0.872 2239 Q CB -1.939 26.822 28.738 0.038 0.000 1.151 2239 Q HN 0.453 nan 8.270 nan 0.000 0.417 2240 L N 1.993 123.187 121.223 -0.049 0.000 2.490 2240 L HA 0.124 4.464 4.340 -0.000 0.000 0.274 2240 L C -1.050 175.808 176.870 -0.021 0.000 1.201 2240 L CA -1.170 53.578 54.840 -0.152 0.000 0.869 2240 L CB -0.187 41.567 42.059 -0.508 0.000 1.123 2240 L HN 0.027 nan 8.230 nan 0.000 0.484 2241 P HA 0.132 nan 4.420 nan 0.000 0.271 2241 P C -0.835 176.582 177.300 0.194 0.000 1.216 2241 P CA -0.171 62.980 63.100 0.085 0.000 0.771 2241 P CB 1.339 33.066 31.700 0.044 0.000 0.864 2242 V N 2.485 122.513 119.914 0.189 0.000 2.667 2242 V HA 0.768 4.888 4.120 -0.000 0.000 0.308 2242 V C 0.903 177.051 176.094 0.091 0.000 1.048 2242 V CA -0.228 62.181 62.300 0.182 0.000 0.928 2242 V CB 1.682 33.572 31.823 0.113 0.000 1.004 2242 V HN 0.890 nan 8.190 nan 0.000 0.444 2243 G N 1.237 110.079 108.800 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 0.573 175.485 174.900 0.022 0.000 1.320 2243 G CA 0.458 45.584 45.100 0.042 0.000 0.982 2243 G HN 0.730 nan 8.290 nan 0.000 0.575 2244 Q N -1.864 117.946 119.800 0.016 0.000 2.084 2244 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 2244 Q C 2.128 178.129 176.000 0.003 0.000 0.978 2244 Q CA 2.415 58.222 55.803 0.007 0.000 0.844 2244 Q CB -1.606 27.137 28.738 0.008 0.000 0.898 2244 Q HN 1.295 nan 8.270 nan 0.000 0.426 2245 N N -0.399 118.307 118.700 0.010 0.000 2.313 2245 N HA 0.479 5.219 4.740 -0.000 0.000 0.207 2245 N C 1.291 176.803 175.510 0.004 0.000 1.141 2245 N CA 0.973 54.027 53.050 0.007 0.000 0.830 2245 N CB -0.189 38.308 38.487 0.015 0.000 1.008 2245 N HN 1.446 nan 8.380 nan 0.000 0.481 2246 G N -0.565 108.231 108.800 -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 -0.408 44.667 45.100 -0.041 0.000 0.926 2246 G HN 0.572 nan 8.290 nan 0.000 0.581 2247 Y N 0.614 120.922 120.300 0.013 0.000 2.729 2247 Y HA 0.239 4.789 4.550 0.000 0.000 0.331 2247 Y C 1.519 177.427 175.900 0.013 0.000 1.208 2247 Y CA -0.169 57.940 58.100 0.015 0.000 1.521 2247 Y CB 0.131 38.602 38.460 0.018 0.000 1.233 2247 Y HN 0.314 nan 8.280 nan 0.000 0.539 2248 I N 6.691 127.374 120.570 0.189 0.000 2.379 2248 I HA 0.153 4.322 4.170 -0.000 0.000 0.290 2248 I C -0.553 175.594 176.117 0.050 0.000 1.063 2248 I CA 0.199 61.553 61.300 0.090 0.000 1.351 2248 I CB 0.205 38.243 38.000 0.063 0.000 1.410 2248 I HN 0.379 nan 8.210 nan 0.000 0.505 2249 L N 8.557 129.805 121.223 0.042 0.000 2.455 2249 L HA 0.460 4.800 4.340 -0.000 0.000 0.264 2249 L C -2.520 174.356 176.870 0.011 0.000 0.968 2249 L CA -1.822 53.027 54.840 0.015 0.000 0.827 2249 L CB 2.525 44.598 42.059 0.024 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 0.639 177.935 177.300 -0.008 0.000 1.428 2250 P CA -0.205 62.889 63.100 -0.009 0.000 0.995 2250 P CB 0.703 32.391 31.700 -0.020 0.000 1.286 2251 L N 2.890 124.112 121.223 -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 1.264 56.105 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 -0.355 120.198 120.570 -0.028 0.000 2.286 2252 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 2252 I C 2.058 178.132 176.117 -0.072 0.000 1.104 2252 I CA 0.963 62.233 61.300 -0.049 0.000 1.397 2252 I CB -0.371 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 2.179 178.455 176.300 -0.039 0.000 0.994 2253 D CA 1.422 55.370 54.000 -0.085 0.000 0.828 2253 D CB -0.331 40.434 40.800 -0.058 0.000 0.963 2253 D HN 0.266 nan 8.370 nan 0.000 0.450 2254 L N 0.320 121.538 121.223 -0.008 0.000 2.551 2254 L HA 0.000 4.340 4.340 -0.000 0.000 0.228 2254 L C 1.575 178.470 176.870 0.041 0.000 1.153 2254 L CA 0.669 55.526 54.840 0.027 0.000 0.851 2254 L CB -0.196 41.880 42.059 0.028 0.000 0.959 2254 L HN 0.034 nan 8.230 nan 0.000 0.451 2255 S N -3.090 112.618 115.700 0.015 0.000 2.593 2255 S HA 0.168 4.638 4.470 -0.000 0.000 0.236 2255 S C 0.507 175.108 174.600 0.001 0.000 0.991 2255 S CA -0.547 57.665 58.200 0.020 0.000 0.963 2255 S CB 0.162 63.370 63.200 0.013 0.000 0.865 2255 S HN 0.086 nan 8.310 nan 0.000 0.488 2256 T N 2.825 117.367 114.554 -0.019 0.000 2.855 2256 T HA 0.570 4.920 4.350 -0.000 0.000 0.281 2256 T C -0.568 174.128 174.700 -0.006 0.000 1.007 2256 T CA -0.601 61.470 62.100 -0.049 0.000 1.009 2256 T CB 1.344 70.110 68.868 -0.171 0.000 0.983 2256 T HN 0.259 nan 8.240 nan 0.000 0.455 2257 L N 3.252 124.469 121.223 -0.009 0.000 2.289 2257 L HA 0.452 4.792 4.340 -0.000 0.000 0.285 2257 L C -0.925 176.027 176.870 0.136 0.000 1.049 2257 L CA -1.043 53.768 54.840 -0.049 0.000 0.804 2257 L CB 0.622 42.551 42.059 -0.218 0.000 1.195 2257 L HN 0.624 nan 8.230 nan 0.000 0.428 2258 Y N 4.528 124.874 120.300 0.076 0.000 2.402 2258 Y HA 0.471 5.021 4.550 -0.000 0.000 0.332 2258 Y C -0.846 174.999 175.900 -0.091 0.000 0.960 2258 Y CA -1.238 56.964 58.100 0.169 0.000 1.228 2258 Y CB 0.581 39.271 38.460 0.383 0.000 1.120 2258 Y HN 0.523 nan 8.280 nan 0.000 0.491 2259 N N 5.896 124.166 118.700 -0.717 0.000 2.265 2259 N HA 0.568 5.308 4.740 -0.000 0.000 0.300 2259 N C -1.527 173.470 175.510 -0.854 0.000 1.148 2259 N CA -0.648 51.899 53.050 -0.838 0.000 0.772 2259 N CB 2.376 40.346 38.487 -0.861 0.000 1.434 2259 N HN 0.556 nan 8.380 nan 0.000 0.481 2260 L N 0.585 121.511 121.223 -0.495 0.000 2.346 2260 L HA 0.590 4.930 4.340 -0.000 0.000 0.276 2260 L C -0.006 176.857 176.870 -0.011 0.000 1.006 2260 L CA -0.549 54.177 54.840 -0.191 0.000 0.817 2260 L CB 1.702 43.615 42.059 -0.243 0.000 1.272 2260 L HN 0.387 nan 8.230 nan 0.000 0.421 2261 E N 2.450 122.785 120.200 0.225 0.000 2.413 2261 E HA 0.381 4.731 4.350 -0.000 0.000 0.277 2261 E C -1.481 175.218 176.600 0.164 0.000 0.958 2261 E CA -0.850 55.678 56.400 0.214 0.000 0.779 2261 E CB 3.145 33.044 29.700 0.332 0.000 1.278 2261 E HN 0.670 nan 8.360 nan 0.000 0.456 2262 N N -0.049 118.681 118.700 0.050 0.000 2.405 2262 N HA 0.535 5.275 4.740 -0.000 0.000 0.285 2262 N C -1.140 174.407 175.510 0.061 0.000 1.262 2262 N CA -0.578 52.429 53.050 -0.071 0.000 0.773 2262 N CB 2.010 40.338 38.487 -0.265 0.000 1.490 2262 N HN 0.493 nan 8.380 nan 0.000 0.486 2263 S N -1.387 114.357 115.700 0.073 0.000 2.656 2263 S HA 0.887 5.357 4.470 -0.000 0.000 0.273 2263 S C -1.555 173.120 174.600 0.124 0.000 1.168 2263 S CA -0.881 57.391 58.200 0.120 0.000 0.817 2263 S CB 1.256 64.559 63.200 0.170 0.000 1.146 2263 S HN 1.092 nan 8.310 nan 0.000 0.475 2264 A N 1.002 123.898 122.820 0.128 0.000 2.414 2264 A HA 0.824 5.144 4.320 -0.000 0.000 0.306 2264 A C -1.339 176.327 177.584 0.138 0.000 1.054 2264 A CA -0.741 51.379 52.037 0.138 0.000 0.724 2264 A CB 1.573 20.654 19.000 0.135 0.000 1.267 2264 A HN 0.775 nan 8.150 nan 0.000 0.418 2265 Q N 0.627 120.529 119.800 0.170 0.000 2.359 2265 Q HA 0.788 5.128 4.340 -0.000 0.000 0.274 2265 Q C -0.668 175.476 176.000 0.240 0.000 1.074 2265 Q CA -0.590 55.357 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 1.196 nan 8.270 nan 0.000 0.427 2266 A N -0.337 122.623 122.820 0.233 0.000 2.486 2266 A HA 0.932 5.252 4.320 -0.000 0.000 0.289 2266 A C 0.348 178.028 177.584 0.160 0.000 1.176 2266 A CA -0.285 51.796 52.037 0.074 0.000 0.757 2266 A CB 1.430 20.456 19.000 0.043 0.000 1.337 2266 A HN 1.407 nan 8.150 nan 0.000 0.423 2267 G N -1.072 107.727 108.800 -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 -0.425 174.485 174.900 0.018 0.000 1.017 2267 G CA -0.033 45.127 45.100 0.100 0.000 0.686 2267 G HN 0.752 nan 8.290 nan 0.000 0.503 2268 L N 1.483 122.515 121.223 -0.319 0.000 2.395 2268 L HA 0.779 5.119 4.340 -0.000 0.000 0.269 2268 L C 0.974 177.769 176.870 -0.126 0.000 1.133 2268 L CA 0.510 55.133 54.840 -0.361 0.000 0.812 2268 L CB 1.671 43.373 42.059 -0.595 0.000 1.125 2268 L HN 0.458 nan 8.230 nan 0.000 0.452 2269 T N -0.107 114.402 114.554 -0.075 0.000 2.952 2269 T HA 0.544 4.894 4.350 -0.000 0.000 0.305 2269 T C -2.858 171.813 174.700 -0.049 0.000 1.064 2269 T CA -2.228 59.847 62.100 -0.041 0.000 1.008 2269 T CB 1.912 70.773 68.868 -0.011 0.000 1.078 2269 T HN 0.163 nan 8.240 nan 0.000 0.459 2270 P HA 0.121 nan 4.420 nan 0.000 0.261 2270 P C 0.290 177.562 177.300 -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 -0.988 117.670 118.700 -0.070 0.000 2.778 2271 N HA -0.144 4.596 4.740 -0.000 0.000 0.249 2271 N C -0.578 174.895 175.510 -0.062 0.000 1.069 2271 N CA 0.752 53.761 53.050 -0.068 0.000 0.831 2271 N CB -1.639 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 -0.034 0.000 2.434 2273 D HA 0.109 4.749 4.640 -0.000 0.000 0.252 2273 D C -0.541 175.770 176.300 0.018 0.000 1.185 2273 D CA 0.497 54.474 54.000 -0.038 0.000 0.886 2273 D CB 0.391 41.191 40.800 -0.000 0.000 1.148 2273 D HN 0.347 nan 8.370 nan 0.000 0.483 2274 F N 3.634 123.490 119.950 -0.156 0.000 2.385 2274 F HA 0.328 4.855 4.527 0.000 0.000 0.360 2274 F C -0.710 175.032 175.800 -0.096 0.000 1.122 2274 F CA -0.781 57.142 58.000 -0.127 0.000 1.090 2274 F CB 0.782 39.677 39.000 -0.174 0.000 1.150 2274 F HN 0.001 nan 8.300 nan 0.000 0.472 2275 V N 6.938 126.559 119.914 -0.489 0.000 2.417 2275 V HA 0.411 4.531 4.120 -0.000 0.000 0.291 2275 V C -0.596 175.241 176.094 -0.429 0.000 1.024 2275 V CA -0.907 61.192 62.300 -0.336 0.000 0.861 2275 V CB 1.427 33.136 31.823 -0.191 0.000 0.985 2275 V HN 0.495 nan 8.190 nan 0.000 0.436 2276 V N 5.103 124.868 119.914 -0.250 0.000 2.328 2276 V HA 0.333 4.453 4.120 -0.000 0.000 0.278 2276 V C 0.111 176.078 176.094 -0.213 0.000 1.021 2276 V CA -0.707 61.460 62.300 -0.222 0.000 0.838 2276 V CB 1.269 33.027 31.823 -0.108 0.000 0.999 2276 V HN 0.815 nan 8.190 nan 0.000 0.447 2277 Q N 3.017 122.701 119.800 -0.193 0.000 2.352 2277 Q HA 0.275 4.615 4.340 -0.000 0.000 0.260 2277 Q C -0.820 175.024 176.000 -0.259 0.000 0.976 2277 Q CA 0.120 55.830 55.803 -0.156 0.000 0.881 2277 Q CB 1.015 29.691 28.738 -0.103 0.000 1.235 2277 Q HN 0.633 nan 8.270 nan 0.000 0.419 2278 Y N 0.072 120.256 120.300 -0.193 0.000 2.304 2278 Y HA 0.348 4.898 4.550 0.000 0.000 0.328 2278 Y C 0.736 176.527 175.900 -0.182 0.000 1.123 2278 Y CA -0.393 57.481 58.100 -0.378 0.000 1.218 2278 Y CB 1.034 39.204 38.460 -0.485 0.000 1.207 2278 Y HN 0.644 nan 8.280 nan 0.000 0.495 2279 A N 3.028 125.863 122.820 0.025 0.000 2.313 2279 A HA 0.310 4.630 4.320 -0.000 0.000 0.261 2279 A C -0.147 177.415 177.584 -0.038 0.000 1.090 2279 A CA -0.798 51.193 52.037 -0.077 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 -0.683 117.925 118.700 -0.152 0.000 2.408 2280 N HA 0.534 5.274 4.740 -0.000 0.000 0.260 2280 N C 0.546 175.937 175.510 -0.199 0.000 1.242 2280 N CA -0.140 52.817 53.050 -0.155 0.000 0.959 2280 N CB 0.503 38.893 38.487 -0.162 0.000 1.201 2280 N HN 0.730 nan 8.380 nan 0.000 0.511 2281 L N -4.087 117.057 121.223 -0.131 0.000 3.570 2281 L HA -0.299 4.041 4.340 -0.000 0.000 0.382 2281 L C -0.305 176.776 176.870 0.352 0.000 0.698 2281 L CA 1.324 56.212 54.840 0.079 0.000 2.990 2281 L CB -1.365 40.700 42.059 0.010 0.000 0.731 2281 L HN 0.628 nan 8.230 nan 0.000 0.725 2282 Y N 1.295 121.583 120.300 -0.020 0.000 2.346 2282 Y HA 0.267 4.817 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 -0.636 57.322 58.100 -0.236 0.000 1.331 2282 Y CB 0.508 38.385 38.460 -0.973 0.000 1.253 2282 Y HN 0.059 nan 8.280 nan 0.000 0.529 2283 R N 3.560 124.150 120.500 0.150 0.000 2.247 2283 R HA 0.215 4.555 4.340 -0.000 0.000 0.329 2283 R C -1.714 174.631 176.300 0.074 0.000 1.014 2283 R CA -0.602 55.593 56.100 0.158 0.000 0.907 2283 R CB 0.370 30.708 30.300 0.064 0.000 1.146 2283 R HN 0.535 nan 8.270 nan 0.000 0.499 2284 Y N 3.238 123.646 120.300 0.180 0.000 2.436 2284 Y HA 0.047 4.597 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 -0.268 57.951 58.100 0.197 0.000 1.241 2284 Y CB 0.639 39.233 38.460 0.225 0.000 1.153 2284 Y HN 0.464 nan 8.280 nan 0.000 0.521 2285 L N 1.897 123.240 121.223 0.199 0.000 2.162 2285 L HA 0.038 4.378 4.340 -0.000 0.000 0.205 2285 L C 0.759 177.741 176.870 0.187 0.000 1.086 2285 L CA 0.614 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 0.625 nan 8.230 nan 0.000 0.446 2286 S N -1.989 113.886 115.700 0.291 0.000 2.570 2286 S HA 0.610 5.080 4.470 -0.000 0.000 0.270 2286 S C -0.622 174.176 174.600 0.331 0.000 1.149 2286 S CA -0.678 57.665 58.200 0.239 0.000 0.837 2286 S CB 2.363 65.751 63.200 0.312 0.000 1.124 2286 S HN -0.071 nan 8.310 nan 0.000 0.465 2287 T N 1.941 116.602 114.554 0.178 0.000 2.916 2287 T HA 0.611 4.961 4.350 -0.000 0.000 0.298 2287 T C -0.953 173.727 174.700 -0.033 0.000 1.031 2287 T CA -0.398 61.765 62.100 0.105 0.000 0.993 2287 T CB 0.905 69.881 68.868 0.180 0.000 1.045 2287 T HN 0.660 nan 8.240 nan 0.000 0.454 2288 I N 2.235 122.723 120.570 -0.138 0.000 2.509 2288 I HA 0.723 4.893 4.170 -0.000 0.000 0.293 2288 I C -0.350 175.622 176.117 -0.241 0.000 1.020 2288 I CA -0.930 60.330 61.300 -0.068 0.000 1.088 2288 I CB 1.751 39.812 38.000 0.102 0.000 1.267 2288 I HN 0.734 nan 8.210 nan 0.000 0.430 2289 A N 6.251 128.982 122.820 -0.148 0.000 2.335 2289 A HA 0.754 5.074 4.320 -0.000 0.000 0.304 2289 A C -1.141 176.521 177.584 0.129 0.000 1.118 2289 A CA -0.475 51.489 52.037 -0.121 0.000 0.757 2289 A CB 1.351 20.188 19.000 -0.271 0.000 1.188 2289 A HN 0.392 nan 8.150 nan 0.000 0.460 2290 V N 3.339 123.345 119.914 0.154 0.000 2.357 2290 V HA 0.315 4.435 4.120 -0.000 0.000 0.284 2290 V C -0.693 175.583 176.094 0.305 0.000 1.018 2290 V CA -0.392 62.044 62.300 0.226 0.000 0.841 2290 V CB 1.192 33.096 31.823 0.136 0.000 0.991 2290 V HN 0.782 nan 8.190 nan 0.000 0.437 2291 F N 5.287 125.328 119.950 0.152 0.000 2.406 2291 F HA 0.368 4.895 4.527 0.000 0.000 0.358 2291 F C 0.458 176.148 175.800 -0.184 0.000 1.161 2291 F CA -1.791 56.216 58.000 0.011 0.000 1.185 2291 F CB 0.169 39.197 39.000 0.046 0.000 1.421 2291 F HN 0.599 nan 8.300 nan 0.000 0.576 2292 D N 4.246 124.628 120.400 -0.030 0.000 2.435 2292 D HA -0.029 4.611 4.640 -0.000 0.000 0.230 2292 D C -0.088 175.875 176.300 -0.563 0.000 1.215 2292 D CA 0.085 53.757 54.000 -0.547 0.000 0.947 2292 D CB -0.317 40.402 40.800 -0.134 0.000 1.048 2292 D HN 0.273 nan 8.370 nan 0.000 0.512 2293 N N 2.831 120.947 118.700 -0.973 0.000 3.050 2293 N HA 0.192 4.932 4.740 -0.000 0.000 0.289 2293 N C 0.731 175.931 175.510 -0.517 0.000 1.209 2293 N CA 0.409 52.935 53.050 -0.873 0.000 1.154 2293 N CB -0.431 37.337 38.487 -1.197 0.000 1.444 2293 N HN 0.608 nan 8.380 nan 0.000 0.529 2294 G N 0.987 109.582 108.800 -0.342 0.000 2.323 2294 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.292 2294 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.292 2294 G C 0.982 175.749 174.900 -0.221 0.000 1.040 2294 G CA 0.567 45.536 45.100 -0.219 0.000 0.942 2294 G HN 1.106 nan 8.290 nan 0.000 0.506 2295 G N -2.330 106.292 108.800 -0.295 0.000 2.217 2295 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.246 2295 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.246 2295 G C 0.477 175.245 174.900 -0.219 0.000 0.990 2295 G CA 0.644 45.645 45.100 -0.165 0.000 0.627 2295 G HN 1.742 nan 8.290 nan 0.000 0.522 2296 S N 0.265 115.703 115.700 -0.437 0.000 2.508 2296 S HA 0.761 5.231 4.470 -0.000 0.000 0.284 2296 S C -0.807 173.382 174.600 -0.684 0.000 1.192 2296 S CA -0.294 57.695 58.200 -0.351 0.000 1.070 2296 S CB 0.881 63.909 63.200 -0.287 0.000 1.004 2296 S HN 0.308 nan 8.310 nan 0.000 0.493 2297 F N 2.903 122.747 119.950 -0.177 0.000 2.445 2297 F HA 0.442 4.969 4.527 -0.000 0.000 0.348 2297 F C 0.457 176.195 175.800 -0.103 0.000 1.125 2297 F CA -0.850 57.056 58.000 -0.158 0.000 0.983 2297 F CB 1.203 40.112 39.000 -0.153 0.000 1.198 2297 F HN 0.389 nan 8.300 nan 0.000 0.436 2298 N N 1.427 120.124 118.700 -0.004 0.000 2.384 2298 N HA 0.502 5.242 4.740 -0.000 0.000 0.301 2298 N C -0.492 175.084 175.510 0.110 0.000 1.133 2298 N CA -0.706 52.362 53.050 0.030 0.000 0.853 2298 N CB 2.236 40.705 38.487 -0.030 0.000 1.241 2298 N HN 0.574 nan 8.380 nan 0.000 0.502 2299 A N 0.609 123.491 122.820 0.103 0.000 3.063 2299 A HA 0.462 4.782 4.320 -0.000 0.000 0.263 2299 A C 1.352 179.044 177.584 0.181 0.000 1.736 2299 A CA 0.338 52.454 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 1.066 110.036 108.800 0.284 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 1.358 176.347 174.900 0.148 0.000 0.995 2300 G CA 1.550 46.814 45.100 0.273 0.000 0.622 2300 G HN 1.557 nan 8.290 nan 0.000 0.538 2301 T N -0.627 113.994 114.554 0.111 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 1.871 64.012 62.100 0.068 0.000 1.116 2301 T CB -0.239 68.657 68.868 0.046 0.000 0.878 2301 T HN 0.623 nan 8.240 nan 0.000 0.509 2302 D N 0.325 120.769 120.400 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 -0.496 53.554 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 0.468 121.075 120.570 0.061 0.000 2.545 2303 I HA 0.217 4.387 4.170 -0.000 0.000 0.292 2303 I C 0.620 176.685 176.117 -0.086 0.000 1.040 2303 I CA -0.862 60.401 61.300 -0.062 0.000 1.068 2303 I CB 2.138 40.039 38.000 -0.166 0.000 1.251 2303 I HN -0.269 nan 8.210 nan 0.000 0.424 2304 N N 3.903 122.504 118.700 -0.166 0.000 2.197 2304 N HA -0.002 4.737 4.740 -0.000 0.000 0.184 2304 N C -0.569 174.947 175.510 0.009 0.000 1.030 2304 N CA 1.405 54.402 53.050 -0.088 0.000 0.851 2304 N CB 0.247 38.642 38.487 -0.152 0.000 1.003 2304 N HN 0.629 nan 8.380 nan 0.000 0.430 2305 Y N -1.978 118.244 120.300 -0.130 0.000 2.741 2305 Y HA 0.630 5.180 4.550 0.000 0.000 0.339 2305 Y C -1.793 173.935 175.900 -0.286 0.000 1.226 2305 Y CA -1.442 56.566 58.100 -0.154 0.000 1.072 2305 Y CB 0.477 38.887 38.460 -0.082 0.000 1.331 2305 Y HN -0.276 nan 8.280 nan 0.000 0.453 2306 L N 1.642 122.809 121.223 -0.094 0.000 2.333 2306 L HA 0.923 5.263 4.340 -0.000 0.000 0.263 2306 L C -0.100 176.653 176.870 -0.195 0.000 1.014 2306 L CA -0.546 54.002 54.840 -0.485 0.000 0.820 2306 L CB 2.215 43.490 42.059 -1.305 0.000 1.352 2306 L HN 0.891 nan 8.230 nan 0.000 0.421 2307 S N -0.163 115.323 115.700 -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 57.550 58.200 -0.058 0.000 0.815 2307 S CB 1.609 64.816 63.200 0.012 0.000 1.130 2307 S HN 0.579 nan 8.310 nan 0.000 0.471 2308 Q N 1.070 120.868 119.800 -0.002 0.000 2.304 2308 Q HA 0.571 4.911 4.340 -0.000 0.000 0.270 2308 Q C -1.108 174.918 176.000 0.042 0.000 1.035 2308 Q CA -0.685 55.150 55.803 0.052 0.000 0.781 2308 Q CB 2.209 31.035 28.738 0.147 0.000 1.261 2308 Q HN 0.665 nan 8.270 nan 0.000 0.444 2309 R N -0.640 119.890 120.500 0.050 0.000 2.604 2309 R HA 0.440 4.780 4.340 -0.000 0.000 0.281 2309 R C -0.341 175.980 176.300 0.035 0.000 1.020 2309 R CA -0.707 55.410 56.100 0.028 0.000 0.899 2309 R CB 0.982 31.287 30.300 0.009 0.000 1.205 2309 R HN 0.504 nan 8.270 nan 0.000 0.450 2310 T N 0.683 115.247 114.554 0.017 0.000 3.418 2310 T HA 0.447 4.797 4.350 -0.000 0.000 0.239 2310 T C 0.982 175.685 174.700 0.005 0.000 0.905 2310 T CA 0.110 62.217 62.100 0.012 0.000 0.929 2310 T CB -0.526 68.343 68.868 0.003 0.000 1.121 2310 T HN 1.087 nan 8.240 nan 0.000 0.608 2311 A N 1.497 124.321 122.820 0.006 0.000 5.821 2311 A HA -0.066 4.254 4.320 -0.000 0.000 0.282 2311 A C 1.526 179.107 177.584 -0.006 0.000 2.032 2311 A CA 1.753 53.788 52.037 -0.003 0.000 0.715 2311 A CB -2.354 16.641 19.000 -0.007 0.000 1.178 2311 A HN 2.328 nan 8.150 nan 0.000 0.370 2312 N N -2.434 116.260 118.700 -0.009 0.000 2.677 2312 N HA 0.425 5.165 4.740 -0.000 0.000 0.249 2312 N C 1.305 176.810 175.510 -0.009 0.000 1.073 2312 N CA 2.172 55.217 53.050 -0.009 0.000 0.737 2312 N CB -2.256 36.226 38.487 -0.009 0.000 0.999 2312 N HN 2.687 nan 8.380 nan 0.000 0.543 2313 F N -2.175 117.769 119.950 -0.009 0.000 2.694 2313 F HA 0.139 4.666 4.527 -0.000 0.000 0.215 2313 F C 0.814 176.606 175.800 -0.013 0.000 1.032 2313 F CA 1.543 59.537 58.000 -0.011 0.000 0.871 2313 F CB -1.729 37.265 39.000 -0.011 0.000 0.776 2313 F HN 1.960 nan 8.300 nan 0.000 0.850 2314 S N 1.418 117.111 115.700 -0.012 0.000 2.721 2314 S HA 0.480 4.950 4.470 -0.000 0.000 0.264 2314 S C -0.925 173.668 174.600 -0.011 0.000 1.161 2314 S CA -0.289 57.904 58.200 -0.013 0.000 1.113 2314 S CB 0.644 63.838 63.200 -0.009 0.000 1.079 2314 S HN 0.578 nan 8.310 nan 0.000 0.479 2315 D N 2.798 123.186 120.400 -0.021 0.000 2.256 2315 D HA 0.238 4.878 4.640 -0.000 0.000 0.250 2315 D C 1.206 177.499 176.300 -0.012 0.000 1.093 2315 D CA -0.058 53.931 54.000 -0.018 0.000 0.882 2315 D CB 1.889 42.663 40.800 -0.043 0.000 1.185 2315 D HN 0.660 nan 8.370 nan 0.000 0.437 2316 T N -1.059 113.496 114.554 0.002 0.000 3.022 2316 T HA 0.060 4.410 4.350 -0.000 0.000 0.250 2316 T C 0.929 175.629 174.700 -0.000 0.000 1.060 2316 T CA -0.278 61.822 62.100 -0.001 0.000 1.013 2316 T CB 0.279 69.149 68.868 0.003 0.000 0.982 2316 T HN 0.588 nan 8.240 nan 0.000 0.508 2317 R N 0.421 120.933 120.500 0.020 0.000 2.714 2317 R HA 0.312 4.652 4.340 -0.000 0.000 0.214 2317 R C -0.847 175.521 176.300 0.113 0.000 1.474 2317 R CA -0.653 55.467 56.100 0.034 0.000 1.435 2317 R CB -0.320 29.970 30.300 -0.018 0.000 1.517 2317 R HN 0.084 nan 8.270 nan 0.000 0.748 2318 K N 2.885 123.309 120.400 0.040 0.000 2.338 2318 K HA 0.284 4.604 4.320 -0.000 0.000 0.290 2318 K C -0.960 175.662 176.600 0.037 0.000 1.069 2318 K CA -0.107 56.181 56.287 0.001 0.000 0.941 2318 K CB 0.469 32.863 32.500 -0.177 0.000 1.023 2318 K HN 0.443 nan 8.250 nan 0.000 0.477 2319 L N 3.281 124.616 121.223 0.187 0.000 2.371 2319 L HA 0.342 4.682 4.340 -0.000 0.000 0.262 2319 L C -0.429 176.577 176.870 0.227 0.000 1.006 2319 L CA -1.375 53.593 54.840 0.213 0.000 0.818 2319 L CB 2.035 44.288 42.059 0.324 0.000 1.354 2319 L HN 0.737 nan 8.230 nan 0.000 0.415 2320 D N 0.342 120.848 120.400 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 52.887 54.000 0.160 0.000 0.906 2320 D CB 0.667 41.541 40.800 0.123 0.000 1.187 2320 D HN 0.196 nan 8.370 nan 0.000 0.435 2321 P HA -0.217 nan 4.420 nan 0.000 0.216 2321 P C 1.131 178.605 177.300 0.291 0.000 1.150 2321 P CA 1.529 64.734 63.100 0.175 0.000 0.843 2321 P CB 0.090 31.860 31.700 0.117 0.000 0.787 2322 K N -1.072 119.458 120.400 0.217 0.000 2.097 2322 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 2322 K C 1.735 178.460 176.600 0.209 0.000 1.050 2322 K CA 1.527 57.935 56.287 0.202 0.000 0.938 2322 K CB -0.399 32.186 32.500 0.141 0.000 0.718 2322 K HN 0.032 nan 8.250 nan 0.000 0.442 2323 T N 0.334 115.009 114.554 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 0.773 62.977 62.100 0.172 0.000 1.137 2323 T CB -0.200 68.750 68.868 0.136 0.000 0.879 2323 T HN 0.437 nan 8.240 nan 0.000 0.467 2324 W N 2.245 123.618 121.300 0.121 0.000 2.358 2324 W HA -0.067 4.593 4.660 -0.000 0.000 0.303 2324 W C 2.445 179.088 176.519 0.206 0.000 1.208 2324 W CA 1.249 58.688 57.345 0.157 0.000 1.274 2324 W CB -0.611 28.950 29.460 0.168 0.000 1.138 2324 W HN 0.288 nan 8.180 nan 0.000 0.515 2325 A N 0.894 124.016 122.820 0.502 0.000 1.972 2325 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 2325 A C 2.186 179.895 177.584 0.208 0.000 1.169 2325 A CA 2.544 54.809 52.037 0.380 0.000 0.635 2325 A CB -1.214 17.981 19.000 0.325 0.000 0.810 2325 A HN 0.290 nan 8.150 nan 0.000 0.446 2326 A N -0.909 122.005 122.820 0.157 0.000 1.933 2326 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 2326 A C 2.090 179.707 177.584 0.056 0.000 1.175 2326 A CA 1.667 53.759 52.037 0.092 0.000 0.628 2326 A CB -0.431 18.615 19.000 0.076 0.000 0.814 2326 A HN 0.499 nan 8.150 nan 0.000 0.444 2327 Q N -0.490 119.321 119.800 0.019 0.000 2.124 2327 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 2327 Q C 2.112 178.132 176.000 0.032 0.000 0.977 2327 Q CA 1.986 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 1.091 115.702 114.554 0.096 0.000 2.821 2328 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 2328 T C 1.804 176.568 174.700 0.106 0.000 1.046 2328 T CA 0.753 62.980 62.100 0.212 0.000 1.139 2328 T CB -0.039 69.048 68.868 0.366 0.000 0.871 2328 T HN 0.261 nan 8.240 nan 0.000 0.454 2329 R N 0.721 121.264 120.500 0.071 0.000 2.152 2329 R HA 0.028 4.368 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 0.171 120.688 120.500 0.028 0.000 2.189 2330 R HA 0.014 4.354 4.340 -0.000 0.000 0.218 2330 R C 1.849 178.166 176.300 0.028 0.000 1.074 2330 R CA 0.740 56.853 56.100 0.022 0.000 0.991 2330 R CB 0.023 30.337 30.300 0.023 0.000 0.883 2330 R HN 0.169 nan 8.270 nan 0.000 0.457 2331 R N 0.410 120.939 120.500 0.049 0.000 2.146 2331 R HA 0.159 4.499 4.340 -0.000 0.000 0.206 2331 R C 2.026 178.315 176.300 -0.018 0.000 1.049 2331 R CA 0.769 56.907 56.100 0.062 0.000 1.029 2331 R CB 0.056 30.471 30.300 0.191 0.000 0.949 2331 R HN 0.313 nan 8.270 nan 0.000 0.471 2332 I N -3.963 116.557 120.570 -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 0.881 38.649 38.000 -0.386 0.000 1.128 2332 I HN -0.042 nan 8.210 nan 0.000 0.417 2333 A N 0.296 123.061 122.820 -0.092 0.000 2.861 2333 A HA -0.213 4.107 4.320 -0.000 0.000 0.261 2333 A C 0.636 178.174 177.584 -0.078 0.000 1.351 2333 A CA 1.673 53.668 52.037 -0.070 0.000 0.904 2333 A CB -2.298 16.664 19.000 -0.063 0.000 1.076 2333 A HN 0.806 nan 8.150 nan 0.000 0.729 2334 T N -1.853 112.636 114.554 -0.108 0.000 2.654 2334 T HA 0.497 4.847 4.350 -0.000 0.000 0.303 2334 T C -2.119 172.504 174.700 -0.127 0.000 1.656 2334 T CA 0.137 62.176 62.100 -0.100 0.000 0.971 2334 T CB 0.940 69.740 68.868 -0.114 0.000 1.811 2334 T HN 0.285 nan 8.240 nan 0.000 0.483 2335 D N 0.567 120.911 120.400 -0.094 0.000 2.217 2335 D HA 0.516 5.156 4.640 -0.000 0.000 0.248 2335 D C -0.276 175.935 176.300 -0.148 0.000 1.008 2335 D CA -0.120 53.843 54.000 -0.060 0.000 0.914 2335 D CB 0.802 41.616 40.800 0.024 0.000 1.182 2335 D HN 0.334 nan 8.370 nan 0.000 0.451 2336 F N 0.588 120.473 119.950 -0.108 0.000 2.399 2336 F HA 0.220 4.747 4.527 -0.000 0.000 0.313 2336 F C -1.340 174.355 175.800 -0.174 0.000 1.202 2336 F CA -1.265 56.593 58.000 -0.237 0.000 1.192 2336 F CB 0.078 38.833 39.000 -0.409 0.000 1.256 2336 F HN 0.070 nan 8.300 nan 0.000 0.558 2337 P HA -0.009 nan 4.420 nan 0.000 0.270 2337 P C -1.172 176.160 177.300 0.054 0.000 1.227 2337 P CA -0.268 62.896 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 1.130 121.571 120.400 0.068 0.000 2.530 2338 K HA 0.110 4.430 4.320 -0.000 0.000 0.280 2338 K C 1.290 177.952 176.600 0.104 0.000 1.004 2338 K CA 1.286 57.614 56.287 0.069 0.000 1.071 2338 K CB -0.769 31.791 32.500 0.101 0.000 0.876 2338 K HN 0.864 nan 8.250 nan 0.000 0.487 2339 G N 1.186 109.998 108.800 0.021 0.000 2.184 2339 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.264 2339 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.264 2339 G C 0.015 174.864 174.900 -0.085 0.000 0.975 2339 G CA 0.078 45.248 45.100 0.116 0.000 0.642 2339 G HN 0.428 nan 8.290 nan 0.000 0.536 2340 V N 0.999 120.699 119.914 -0.357 0.000 2.370 2340 V HA 0.649 4.769 4.120 -0.000 0.000 0.283 2340 V C -0.289 175.442 176.094 -0.605 0.000 1.023 2340 V CA -0.815 61.274 62.300 -0.352 0.000 0.857 2340 V CB 0.824 32.414 31.823 -0.389 0.000 0.985 2340 V HN 0.252 nan 8.190 nan 0.000 0.443 2341 Y N 4.139 124.474 120.300 0.058 0.000 2.393 2341 Y HA 0.623 5.173 4.550 -0.000 0.000 0.341 2341 Y C -0.507 175.568 175.900 0.293 0.000 0.988 2341 Y CA -0.804 57.435 58.100 0.231 0.000 1.078 2341 Y CB 1.824 40.344 38.460 0.101 0.000 1.203 2341 Y HN 0.631 nan 8.280 nan 0.000 0.453 2342 Y N 2.178 122.781 120.300 0.504 0.000 2.468 2342 Y HA 0.671 5.221 4.550 0.000 0.000 0.342 2342 Y C -1.192 175.004 175.900 0.494 0.000 1.021 2342 Y CA -1.829 56.462 58.100 0.318 0.000 1.079 2342 Y CB 1.713 40.287 38.460 0.190 0.000 1.226 2342 Y HN 0.803 nan 8.280 nan 0.000 0.460 2343 C N 6.643 125.682 119.300 -0.436 0.000 2.432 2343 C HA 0.366 4.826 4.460 -0.000 0.000 0.334 2343 C C -1.316 173.294 174.990 -0.634 0.000 1.155 2343 C CA -0.709 58.120 59.018 -0.315 0.000 1.335 2343 C CB -0.022 27.911 27.740 0.322 0.000 1.964 2343 C HN 0.885 nan 8.230 nan 0.000 0.444 2344 D N 3.993 124.099 120.400 -0.490 0.000 2.280 2344 D HA 0.295 4.935 4.640 -0.000 0.000 0.243 2344 D C 0.040 176.308 176.300 -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 0.026 0.000 1.107 2344 D HN 0.710 nan 8.370 nan 0.000 0.471 2345 N N 3.514 122.221 118.700 0.012 0.000 2.451 2345 N HA 0.099 4.839 4.740 -0.000 0.000 0.271 2345 N C 1.093 176.626 175.510 0.039 0.000 1.410 2345 N CA -0.171 52.896 53.050 0.029 0.000 0.884 2345 N CB 0.725 39.238 38.487 0.044 0.000 1.332 2345 N HN 0.358 nan 8.380 nan 0.000 0.498 2346 R N 0.479 121.011 120.500 0.053 0.000 2.081 2346 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 2346 R C 0.740 177.047 176.300 0.012 0.000 1.131 2346 R CA 1.162 57.287 56.100 0.042 0.000 0.960 2346 R CB 0.104 30.469 30.300 0.109 0.000 0.856 2346 R HN 0.121 nan 8.270 nan 0.000 0.436 2347 D N 0.417 120.831 120.400 0.023 0.000 2.194 2347 D HA -0.041 4.599 4.640 -0.000 0.000 0.204 2347 D C 0.207 176.511 176.300 0.006 0.000 0.964 2347 D CA 1.241 55.250 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 0.904 121.310 120.400 0.009 0.000 2.753 2348 K HA 0.293 4.613 4.320 -0.000 0.000 0.185 2348 K C -2.737 173.874 176.600 0.020 0.000 1.071 2348 K CA -1.466 54.828 56.287 0.012 0.000 0.999 2348 K CB 2.326 34.833 32.500 0.012 0.000 1.244 2348 K HN -0.107 nan 8.250 nan 0.000 0.594 2349 P HA -0.037 nan 4.420 nan 0.000 0.265 2349 P C -0.118 177.232 177.300 0.084 0.000 1.187 2349 P CA -0.189 62.940 63.100 0.049 0.000 0.766 2349 P CB 0.454 32.171 31.700 0.029 0.000 0.820 2350 I N 3.637 124.255 120.570 0.080 0.000 2.587 2350 I HA 0.008 4.178 4.170 -0.000 0.000 0.284 2350 I C -0.041 176.220 176.117 0.240 0.000 1.134 2350 I CA 0.253 61.560 61.300 0.012 0.000 1.410 2350 I CB -1.203 36.568 38.000 -0.383 0.000 1.392 2350 I HN 0.402 nan 8.210 nan 0.000 0.545 2351 Y N 5.794 126.116 120.300 0.036 0.000 2.315 2351 Y HA 0.163 4.713 4.550 -0.000 0.000 0.324 2351 Y C 1.286 177.210 175.900 0.041 0.000 1.062 2351 Y CA -1.051 57.094 58.100 0.074 0.000 1.159 2351 Y CB 1.586 40.082 38.460 0.060 0.000 1.145 2351 Y HN 0.725 nan 8.280 nan 0.000 0.442 2352 T N 0.757 115.229 114.554 -0.136 0.000 2.881 2352 T HA -0.180 4.170 4.350 -0.000 0.000 0.270 2352 T C 2.035 176.582 174.700 -0.255 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 0.549 nan 8.240 nan 0.000 0.479 2353 L N 0.658 121.548 121.223 -0.554 0.000 2.056 2353 L HA 0.351 4.691 4.340 -0.000 0.000 0.207 2353 L C 3.038 179.814 176.870 -0.157 0.000 1.078 2353 L CA 2.393 56.985 54.840 -0.412 0.000 0.749 2353 L CB -2.199 39.483 42.059 -0.628 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 -0.044 0.000 2.360 2354 Q HA 0.369 4.709 4.340 -0.000 0.000 0.202 2354 Q C 1.438 177.464 176.000 0.043 0.000 0.915 2354 Q CA 1.536 57.388 55.803 0.082 0.000 0.943 2354 Q CB -0.954 27.917 28.738 0.221 0.000 1.064 2354 Q HN 1.857 nan 8.270 nan 0.000 0.511 2355 Y N -3.205 117.097 120.300 0.004 0.000 2.795 2355 Y HA 0.546 5.096 4.550 -0.000 0.000 0.274 2355 Y C 1.274 177.164 175.900 -0.016 0.000 1.035 2355 Y CA 0.233 58.335 58.100 0.002 0.000 1.252 2355 Y CB -0.064 38.404 38.460 0.013 0.000 1.399 2355 Y HN 1.234 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 -0.168 3.792 3.960 -0.000 0.000 0.571 2356 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.571 2356 G C -0.507 174.372 174.900 -0.035 0.000 1.370 2356 G CA -0.378 44.698 45.100 -0.040 0.000 0.856 2356 G HN 0.941 nan 8.290 nan 0.000 0.538 2357 N N -0.991 117.692 118.700 -0.028 0.000 2.454 2357 N HA 0.333 5.073 4.740 -0.000 0.000 0.254 2357 N C -0.001 175.518 175.510 0.015 0.000 1.228 2357 N CA 0.389 53.432 53.050 -0.011 0.000 0.900 2357 N CB 0.807 39.284 38.487 -0.017 0.000 1.089 2357 N HN 0.519 nan 8.380 nan 0.000 0.449 2358 V N 0.144 120.094 119.914 0.060 0.000 2.962 2358 V HA 0.754 4.874 4.120 -0.000 0.000 0.313 2358 V C 0.392 176.645 176.094 0.265 0.000 1.099 2358 V CA -0.816 61.551 62.300 0.111 0.000 0.971 2358 V CB 2.087 33.927 31.823 0.029 0.000 1.028 2358 V HN 0.811 nan 8.190 nan 0.000 0.430 2359 G N 0.686 109.640 108.800 0.256 0.000 2.660 2359 G HA2 0.672 4.632 3.960 -0.000 0.000 0.294 2359 G HA3 0.672 4.632 3.960 -0.000 0.000 0.294 2359 G C -2.052 173.011 174.900 0.272 0.000 1.369 2359 G CA -0.605 44.618 45.100 0.206 0.000 0.912 2359 G HN 0.489 nan 8.290 nan 0.000 0.479 2360 F N 1.696 121.647 119.950 0.001 0.000 2.408 2360 F HA 0.653 5.180 4.527 -0.000 0.000 0.344 2360 F C -0.228 175.554 175.800 -0.031 0.000 1.112 2360 F CA -0.502 57.531 58.000 0.055 0.000 1.096 2360 F CB 1.759 40.736 39.000 -0.038 0.000 1.129 2360 F HN 0.283 nan 8.300 nan 0.000 0.486 2361 V N 6.489 126.129 119.914 -0.456 0.000 2.555 2361 V HA 0.584 4.704 4.120 -0.000 0.000 0.302 2361 V C -0.820 175.062 176.094 -0.355 0.000 1.038 2361 V CA -0.872 61.269 62.300 -0.265 0.000 0.887 2361 V CB 1.583 33.322 31.823 -0.140 0.000 0.991 2361 V HN 0.568 nan 8.190 nan 0.000 0.434 2362 V N 3.868 123.670 119.914 -0.187 0.000 2.577 2362 V HA 0.469 4.589 4.120 -0.000 0.000 0.303 2362 V C -0.368 175.518 176.094 -0.346 0.000 1.042 2362 V CA -0.627 61.486 62.300 -0.311 0.000 0.872 2362 V CB 2.023 33.669 31.823 -0.295 0.000 0.998 2362 V HN 0.896 nan 8.190 nan 0.000 0.423 2363 N N 6.796 125.150 118.700 -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 -1.622 51.067 53.050 -0.601 0.000 0.931 2363 N CB 2.530 40.343 38.487 -1.123 0.000 1.122 2363 N HN 0.343 nan 8.380 nan 0.000 0.508 2364 P HA 0.129 nan 4.420 nan 0.000 0.275 2364 P C 0.176 177.403 177.300 -0.121 0.000 1.228 2364 P CA -0.152 62.809 63.100 -0.230 0.000 0.786 2364 P CB 2.070 33.629 31.700 -0.234 0.000 0.927 2365 K N 1.419 121.793 120.400 -0.044 0.000 2.168 2365 K HA 0.088 4.408 4.320 -0.000 0.000 0.201 2365 K C 0.037 176.636 176.600 -0.002 0.000 1.049 2365 K CA 0.936 57.208 56.287 -0.026 0.000 0.974 2365 K CB 0.285 32.780 32.500 -0.008 0.000 0.792 2365 K HN 0.427 nan 8.250 nan 0.000 0.463 2366 T N 0.812 115.385 114.554 0.032 0.000 2.886 2366 T HA 0.435 4.785 4.350 -0.000 0.000 0.292 2366 T C -1.454 173.277 174.700 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 71.156 68.868 -0.014 0.000 1.018 2366 T HN -0.175 nan 8.240 nan 0.000 0.451 2367 V N 4.326 124.249 119.914 0.015 0.000 2.447 2367 V HA 0.404 4.524 4.120 -0.000 0.000 0.292 2367 V C -0.265 175.805 176.094 -0.041 0.000 1.021 2367 V CA -1.130 61.184 62.300 0.025 0.000 0.850 2367 V CB 1.467 33.300 31.823 0.017 0.000 1.005 2367 V HN 0.770 nan 8.190 nan 0.000 0.426 2368 N N 2.583 121.227 118.700 -0.094 0.000 2.379 2368 N HA 0.293 5.033 4.740 -0.000 0.000 0.260 2368 N C 0.039 175.500 175.510 -0.082 0.000 1.254 2368 N CA -0.606 52.383 53.050 -0.103 0.000 0.958 2368 N CB 0.532 38.927 38.487 -0.155 0.000 1.208 2368 N HN 0.541 nan 8.380 nan 0.000 0.532 2369 Q N 1.143 120.901 119.800 -0.070 0.000 2.364 2369 Q HA 0.063 4.403 4.340 -0.000 0.000 0.267 2369 Q C -0.009 175.954 176.000 -0.062 0.000 0.999 2369 Q CA 0.344 56.115 55.803 -0.053 0.000 0.886 2369 Q CB 0.133 28.846 28.738 -0.041 0.000 1.243 2369 Q HN 0.482 nan 8.270 nan 0.000 0.415 2370 N N -1.299 117.373 118.700 -0.046 0.000 2.776 2370 N HA -0.182 4.558 4.740 -0.000 0.000 0.249 2370 N C -0.710 174.765 175.510 -0.059 0.000 1.111 2370 N CA 0.989 54.014 53.050 -0.041 0.000 0.711 2370 N CB -1.291 37.174 38.487 -0.037 0.000 1.065 2370 N HN 0.671 nan 8.380 nan 0.000 0.556 2371 A N 0.815 123.598 122.820 -0.061 0.000 2.371 2371 A HA 0.659 4.979 4.320 -0.000 0.000 0.257 2371 A C 0.887 178.456 177.584 -0.025 0.000 1.089 2371 A CA 0.133 52.144 52.037 -0.043 0.000 0.794 2371 A CB 0.653 19.666 19.000 0.023 0.000 1.029 2371 A HN 0.471 nan 8.150 nan 0.000 0.488 2372 R N 0.803 121.317 120.500 0.024 0.000 2.712 2372 R HA 0.616 4.956 4.340 -0.000 0.000 0.272 2372 R C -2.118 174.220 176.300 0.064 0.000 1.032 2372 R CA -0.926 55.171 56.100 -0.005 0.000 0.874 2372 R CB 0.920 31.239 30.300 0.032 0.000 1.256 2372 R HN 0.469 nan 8.270 nan 0.000 0.468 2373 L N 2.605 123.847 121.223 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 1.675 43.792 42.059 0.095 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 0.459 4.799 4.340 -0.000 0.000 0.289 2374 L C -0.202 176.748 176.870 0.133 0.000 1.033 2374 L CA -0.320 54.646 54.840 0.211 0.000 0.814 2374 L CB 1.312 43.574 42.059 0.339 0.000 1.203 2374 L HN 0.479 nan 8.230 nan 0.000 0.423 2375 M N 2.568 122.167 119.600 -0.001 0.000 2.363 2375 M HA 0.517 4.997 4.480 -0.000 0.000 0.343 2375 M C 0.270 176.286 176.300 -0.473 0.000 1.165 2375 M CA -0.374 54.741 55.300 -0.308 0.000 1.046 2375 M CB 1.576 33.917 32.600 -0.432 0.000 1.648 2375 M HN 0.582 nan 8.290 nan 0.000 0.452 2376 G N 2.892 111.264 108.800 -0.713 0.000 2.544 2376 G HA2 0.696 4.656 3.960 -0.000 0.000 0.313 2376 G HA3 0.696 4.656 3.960 -0.000 0.000 0.313 2376 G C -1.886 172.608 174.900 -0.678 0.000 1.316 2376 G CA -0.240 44.222 45.100 -1.063 0.000 0.944 2376 G HN 0.594 nan 8.290 nan 0.000 0.489 2377 Y N 0.158 120.486 120.300 0.047 0.000 2.485 2377 Y HA 0.582 5.132 4.550 0.000 0.000 0.345 2377 Y C 0.241 176.392 175.900 0.419 0.000 0.998 2377 Y CA -0.943 57.382 58.100 0.374 0.000 1.059 2377 Y CB 2.848 41.649 38.460 0.569 0.000 1.234 2377 Y HN 0.503 nan 8.280 nan 0.000 0.461 2378 E N 2.569 123.103 120.200 0.556 0.000 2.199 2378 E HA 0.453 4.803 4.350 -0.000 0.000 0.265 2378 E C -1.860 174.906 176.600 0.277 0.000 0.882 2378 E CA -0.692 55.876 56.400 0.280 0.000 0.759 2378 E CB 1.318 31.205 29.700 0.312 0.000 1.148 2378 E HN 0.570 nan 8.360 nan 0.000 0.412 2379 Y N 1.656 121.967 120.300 0.017 0.000 2.638 2379 Y HA 0.562 5.112 4.550 -0.000 0.000 0.335 2379 Y C -1.900 173.965 175.900 -0.058 0.000 1.155 2379 Y CA -1.478 56.531 58.100 -0.153 0.000 1.046 2379 Y CB 0.997 39.205 38.460 -0.421 0.000 1.303 2379 Y HN 0.301 nan 8.280 nan 0.000 0.460 2380 F N 0.855 120.913 119.950 0.181 0.000 2.480 2380 F HA 0.710 5.237 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 -0.915 57.142 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 0.736 nan 8.300 nan 0.000 0.467 2381 T N 1.117 115.835 114.554 0.273 0.000 2.885 2381 T HA 0.276 4.626 4.350 -0.000 0.000 0.322 2381 T C -1.124 173.641 174.700 0.108 0.000 1.387 2381 T CA -0.566 61.648 62.100 0.189 0.000 1.041 2381 T CB 1.476 70.434 68.868 0.151 0.000 1.287 2381 T HN 0.480 nan 8.240 nan 0.000 0.491 2382 S N 2.331 118.094 115.700 0.105 0.000 2.548 2382 S HA 0.248 4.718 4.470 -0.000 0.000 0.277 2382 S C 1.504 176.137 174.600 0.055 0.000 1.315 2382 S CA -0.590 57.645 58.200 0.059 0.000 1.050 2382 S CB 1.039 64.275 63.200 0.061 0.000 0.918 2382 S HN 0.659 nan 8.310 nan 0.000 0.497 2383 R N 1.847 122.364 120.500 0.029 0.000 2.083 2383 R HA -0.109 4.231 4.340 -0.000 0.000 0.237 2383 R C 1.233 177.558 176.300 0.041 0.000 1.137 2383 R CA 1.578 57.694 56.100 0.025 0.000 0.951 2383 R CB -0.659 29.656 30.300 0.026 0.000 0.851 2383 R HN 0.773 nan 8.270 nan 0.000 0.434 2384 T N 0.701 115.279 114.554 0.041 0.000 3.151 2384 T HA 0.526 4.876 4.350 -0.000 0.000 0.332 2384 T C -0.181 174.547 174.700 0.048 0.000 1.245 2384 T CA 0.288 62.413 62.100 0.041 0.000 1.019 2384 T CB 0.110 68.999 68.868 0.034 0.000 1.109 2384 T HN 0.363 nan 8.240 nan 0.000 0.621 2385 E N 0.000 120.234 120.200 0.056 0.000 2.725 2385 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 2385 E CA 0.000 nan 56.400 nan 0.000 0.976 2385 E CB 0.000 nan 29.700 nan 0.000 0.812 2385 E HN 0.000 nan 8.360 nan 0.000 0.440