REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1gw8_1_E DATA FIRST_RESID 2013 DATA SEQUENCE AALRNQQAMA ANLQARQIVL QQSYPVIQQV ETQTFDPANR SVFDVTPANV DATA SEQUENCE GIVKGFLVKV TAAITNNHAT EAVALTDFGP ANLVQRVIYY DPDNQRHTET DATA SEQUENCE SGWHLHFVNT AKQGAPFLSS MVTDSPIKYG DVMNVIDAPA TIAAGATGEL DATA SEQUENCE TMYYWVPLAY SETDLTGAVL ANVPQSKQRL KLEFANNNTA FAAVGANPLE DATA SEQUENCE AIYQGAGAAD CEFEEISYTV YQSYLDQLPV GQNGYILPLI DLSTLYNLEN DATA SEQUENCE SAQAGLTPNV DFVVQYANLY RYLSTIAVFD NGGSFNAGTD INYLSQRTAN DATA SEQUENCE FSDTRKLDPK TWAAQTRRRI ATDFPKGVYY CDNRDKPIYT LQYGNVGFVV DATA SEQUENCE NPKTVNQNAR LLMGYEYFTS RT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2013 A HA 0.000 nan 4.320 nan 0.000 0.244 2013 A C 0.000 177.588 177.584 0.007 0.000 1.274 2013 A CA 0.000 52.041 52.037 0.006 0.000 0.836 2013 A CB 0.000 19.004 19.000 0.006 0.000 0.831 2014 A N -0.334 122.491 122.820 0.008 0.000 4.029 2014 A HA -0.069 4.251 4.320 0.000 0.000 0.268 2014 A C 2.200 179.787 177.584 0.005 0.000 0.943 2014 A CA 3.043 55.084 52.037 0.008 0.000 1.137 2014 A CB -2.310 16.696 19.000 0.009 0.000 1.074 2014 A HN 2.547 nan 8.150 nan 0.000 0.854 2015 L N -2.135 119.091 121.223 0.004 0.000 2.341 2015 L HA 0.552 4.892 4.340 0.000 0.000 0.214 2015 L C 2.811 179.682 176.870 0.002 0.000 1.115 2015 L CA 2.439 57.280 54.840 0.002 0.000 0.820 2015 L CB -2.439 39.621 42.059 0.002 0.000 0.944 2015 L HN 1.495 nan 8.230 nan 0.000 0.452 2016 R N 0.441 120.942 120.500 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 1.618 57.719 56.100 0.002 0.000 0.970 2016 R CB -1.593 28.709 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 -0.008 0.000 1.016 2017 N CA 1.415 54.462 53.050 -0.004 0.000 0.876 2017 N CB -0.118 38.368 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 0.205 28.940 28.738 -0.004 0.000 0.911 2018 Q HN 0.427 nan 8.270 nan 0.000 0.438 2019 Q N -0.621 119.176 119.800 -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 0.980 56.781 55.803 -0.004 0.000 0.838 2019 Q CB -0.113 28.624 28.738 -0.001 0.000 0.906 2019 Q HN 0.436 nan 8.270 nan 0.000 0.444 2020 A N 1.246 124.062 122.820 -0.007 0.000 1.940 2020 A HA -0.200 4.120 4.320 0.000 0.000 0.219 2020 A C 2.119 179.693 177.584 -0.016 0.000 1.176 2020 A CA 1.343 53.375 52.037 -0.009 0.000 0.631 2020 A CB -0.441 18.553 19.000 -0.009 0.000 0.814 2020 A HN 0.248 nan 8.150 nan 0.000 0.446 2021 M N -0.703 118.886 119.600 -0.019 0.000 2.086 2021 M HA -0.153 4.327 4.480 0.000 0.000 0.261 2021 M C 2.577 178.864 176.300 -0.023 0.000 1.067 2021 M CA 1.724 57.008 55.300 -0.027 0.000 1.116 2021 M CB -1.198 31.386 32.600 -0.028 0.000 1.348 2021 M HN 0.504 nan 8.290 nan 0.000 0.407 2022 A N 0.099 122.909 122.820 -0.016 0.000 1.930 2022 A HA 0.038 4.358 4.320 0.000 0.000 0.217 2022 A C 2.389 179.967 177.584 -0.010 0.000 1.175 2022 A CA 1.873 53.903 52.037 -0.012 0.000 0.627 2022 A CB -0.790 18.205 19.000 -0.008 0.000 0.815 2022 A HN 0.491 nan 8.150 nan 0.000 0.443 2023 A N 0.301 123.116 122.820 -0.008 0.000 1.898 2023 A HA -0.200 4.120 4.320 0.000 0.000 0.216 2023 A C 2.085 179.664 177.584 -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 -0.057 118.635 118.700 -0.014 0.000 2.084 2024 N HA -0.165 4.575 4.740 0.000 0.000 0.190 2024 N C 1.802 177.299 175.510 -0.022 0.000 1.030 2024 N CA 1.816 54.853 53.050 -0.021 0.000 0.849 2024 N CB -0.240 38.227 38.487 -0.033 0.000 1.012 2024 N HN 0.336 nan 8.380 nan 0.000 0.423 2025 L N 1.963 123.172 121.223 -0.024 0.000 2.046 2025 L HA -0.123 4.217 4.340 0.000 0.000 0.208 2025 L C 2.627 179.489 176.870 -0.014 0.000 1.077 2025 L CA 1.621 56.447 54.840 -0.022 0.000 0.747 2025 L CB -0.996 41.050 42.059 -0.022 0.000 0.896 2025 L HN 0.279 nan 8.230 nan 0.000 0.432 2026 Q N -0.788 119.006 119.800 -0.010 0.000 2.050 2026 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 2026 Q C 2.123 178.122 176.000 -0.003 0.000 0.980 2026 Q CA 1.965 57.766 55.803 -0.005 0.000 0.840 2026 Q CB -0.210 28.527 28.738 -0.002 0.000 0.898 2026 Q HN 0.645 nan 8.270 nan 0.000 0.424 2027 A N 1.192 124.011 122.820 -0.002 0.000 1.933 2027 A HA -0.203 4.117 4.320 0.000 0.000 0.218 2027 A C 2.112 179.693 177.584 -0.004 0.000 1.175 2027 A CA 1.430 53.468 52.037 0.001 0.000 0.628 2027 A CB -0.673 18.330 19.000 0.005 0.000 0.814 2027 A HN 0.429 nan 8.150 nan 0.000 0.444 2028 R N -0.189 120.305 120.500 -0.010 0.000 2.083 2028 R HA -0.217 4.123 4.340 0.000 0.000 0.237 2028 R C 2.285 178.579 176.300 -0.009 0.000 1.137 2028 R CA 2.041 58.134 56.100 -0.012 0.000 0.951 2028 R CB -0.378 29.911 30.300 -0.017 0.000 0.851 2028 R HN 0.714 nan 8.270 nan 0.000 0.434 2029 Q N 0.130 119.925 119.800 -0.008 0.000 2.084 2029 Q HA -0.156 4.184 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 1.806 57.605 55.803 -0.006 0.000 0.844 2029 Q CB -0.148 28.587 28.738 -0.005 0.000 0.898 2029 Q HN 0.448 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 2.261 178.376 176.117 -0.002 0.000 1.088 2030 I CA 0.840 62.141 61.300 0.001 0.000 1.357 2030 I CB -0.334 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 1.208 121.118 119.914 -0.007 0.000 2.287 2031 V HA -0.287 3.833 4.120 0.000 0.000 0.248 2031 V C 2.410 178.494 176.094 -0.015 0.000 1.053 2031 V CA 1.833 64.123 62.300 -0.016 0.000 1.027 2031 V CB -0.459 31.349 31.823 -0.024 0.000 0.646 2031 V HN 0.367 nan 8.190 nan 0.000 0.447 2032 L N -0.738 120.478 121.223 -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 1.300 56.131 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 -0.445 119.349 119.800 -0.010 0.000 2.123 2033 Q HA -0.136 4.204 4.340 0.000 0.000 0.199 2033 Q C 2.248 178.244 176.000 -0.007 0.000 0.966 2033 Q CA 1.171 56.969 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 0.316 120.114 119.800 -0.004 0.000 2.204 2034 Q HA 0.039 4.379 4.340 0.000 0.000 0.198 2034 Q C 1.185 177.183 176.000 -0.002 0.000 0.946 2034 Q CA 0.341 56.144 55.803 0.001 0.000 0.859 2034 Q CB 0.039 28.782 28.738 0.009 0.000 0.946 2034 Q HN 0.294 nan 8.270 nan 0.000 0.474 2035 S N -1.023 114.670 115.700 -0.011 0.000 2.608 2035 S HA 0.404 4.874 4.470 0.000 0.000 0.261 2035 S C -0.020 174.569 174.600 -0.020 0.000 1.314 2035 S CA -0.384 57.808 58.200 -0.014 0.000 0.992 2035 S CB 0.085 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 -2.855 172.994 175.900 -0.086 0.000 0.960 2036 Y CA -3.247 54.827 58.100 -0.044 0.000 1.134 2036 Y CB 0.981 39.422 38.460 -0.033 0.000 1.166 2036 Y HN 0.831 nan 8.280 nan 0.000 0.464 2037 P HA 0.449 nan 4.420 nan 0.000 0.276 2037 P C -0.842 176.326 177.300 -0.220 0.000 1.230 2037 P CA 0.249 63.261 63.100 -0.148 0.000 0.776 2037 P CB 2.166 33.804 31.700 -0.102 0.000 0.888 2038 V N 5.015 124.691 119.914 -0.396 0.000 2.760 2038 V HA 0.453 4.573 4.120 0.000 0.000 0.309 2038 V C 0.070 175.922 176.094 -0.403 0.000 1.077 2038 V CA -0.758 61.261 62.300 -0.468 0.000 0.910 2038 V CB 2.433 33.769 31.823 -0.811 0.000 1.008 2038 V HN 0.523 nan 8.190 nan 0.000 0.424 2039 I N 3.551 124.030 120.570 -0.151 0.000 2.418 2039 I HA 0.628 4.798 4.170 0.000 0.000 0.287 2039 I C -0.694 175.513 176.117 0.151 0.000 1.008 2039 I CA -0.022 61.294 61.300 0.027 0.000 1.104 2039 I CB 1.452 39.473 38.000 0.035 0.000 1.264 2039 I HN 0.836 nan 8.210 nan 0.000 0.438 2040 Q N 6.450 126.431 119.800 0.302 0.000 2.359 2040 Q HA 0.311 4.651 4.340 0.000 0.000 0.274 2040 Q C -1.375 174.843 176.000 0.363 0.000 1.074 2040 Q CA -0.774 55.236 55.803 0.345 0.000 0.810 2040 Q CB 2.210 31.152 28.738 0.340 0.000 1.342 2040 Q HN 0.734 nan 8.270 nan 0.000 0.427 2041 Q N 1.893 121.841 119.800 0.246 0.000 2.337 2041 Q HA 0.162 4.502 4.340 0.000 0.000 0.270 2041 Q C 0.138 176.139 176.000 0.002 0.000 1.002 2041 Q CA 0.159 55.890 55.803 -0.119 0.000 0.888 2041 Q CB 0.965 29.550 28.738 -0.255 0.000 1.222 2041 Q HN 0.641 nan 8.270 nan 0.000 0.400 2042 V N 0.062 119.974 119.914 -0.004 0.000 3.572 2042 V HA 0.415 4.535 4.120 0.000 0.000 0.260 2042 V C 0.112 176.223 176.094 0.028 0.000 1.324 2042 V CA 0.486 62.821 62.300 0.057 0.000 1.068 2042 V CB 0.332 32.234 31.823 0.132 0.000 0.837 2042 V HN 0.841 nan 8.190 nan 0.000 0.450 2043 E N -0.572 119.625 120.200 -0.005 0.000 2.400 2043 E HA 0.539 4.889 4.350 0.000 0.000 0.285 2043 E C -1.642 174.909 176.600 -0.081 0.000 1.005 2043 E CA -0.310 56.089 56.400 -0.002 0.000 0.816 2043 E CB 2.256 32.015 29.700 0.098 0.000 1.220 2043 E HN 0.231 nan 8.360 nan 0.000 0.426 2044 T N 2.993 117.432 114.554 -0.192 0.000 2.952 2044 T HA 0.469 4.819 4.350 0.000 0.000 0.305 2044 T C -1.251 173.159 174.700 -0.484 0.000 1.064 2044 T CA -0.691 61.193 62.100 -0.360 0.000 1.008 2044 T CB 1.703 70.435 68.868 -0.226 0.000 1.078 2044 T HN 0.385 nan 8.240 nan 0.000 0.459 2045 Q N 0.923 120.230 119.800 -0.822 0.000 2.391 2045 Q HA 0.537 4.877 4.340 0.000 0.000 0.279 2045 Q C -1.379 174.354 176.000 -0.446 0.000 1.028 2045 Q CA -0.796 54.648 55.803 -0.598 0.000 0.836 2045 Q CB 2.832 31.167 28.738 -0.672 0.000 1.414 2045 Q HN 0.580 nan 8.270 nan 0.000 0.397 2046 T N 2.625 117.067 114.554 -0.187 0.000 2.824 2046 T HA 0.764 5.114 4.350 0.000 0.000 0.282 2046 T C -1.030 173.687 174.700 0.028 0.000 0.993 2046 T CA -0.427 61.587 62.100 -0.144 0.000 0.967 2046 T CB 0.379 69.168 68.868 -0.131 0.000 0.960 2046 T HN 0.448 nan 8.240 nan 0.000 0.441 2047 F N -0.047 119.818 119.950 -0.142 0.000 2.685 2047 F HA 0.747 5.274 4.527 0.000 0.000 0.315 2047 F C -1.386 174.398 175.800 -0.026 0.000 1.126 2047 F CA -1.340 56.641 58.000 -0.032 0.000 0.950 2047 F CB 1.209 40.267 39.000 0.098 0.000 1.360 2047 F HN 0.294 nan 8.300 nan 0.000 0.469 2048 D N 1.890 122.401 120.400 0.184 0.000 2.329 2048 D HA 0.429 5.069 4.640 0.000 0.000 0.232 2048 D C -2.094 174.361 176.300 0.258 0.000 1.088 2048 D CA -2.586 51.469 54.000 0.092 0.000 0.835 2048 D CB 2.071 42.934 40.800 0.105 0.000 1.078 2048 D HN 0.218 nan 8.370 nan 0.000 0.495 2049 P HA -0.102 nan 4.420 nan 0.000 0.220 2049 P C 0.897 178.329 177.300 0.219 0.000 1.144 2049 P CA 1.067 64.317 63.100 0.250 0.000 0.800 2049 P CB 0.278 31.983 31.700 0.009 0.000 0.772 2050 A N -0.631 122.303 122.820 0.189 0.000 2.015 2050 A HA -0.183 4.137 4.320 0.000 0.000 0.219 2050 A C 2.063 179.720 177.584 0.122 0.000 1.163 2050 A CA 1.597 53.726 52.037 0.153 0.000 0.646 2050 A CB -0.924 18.157 19.000 0.134 0.000 0.806 2050 A HN 0.157 nan 8.150 nan 0.000 0.448 2051 N N -0.378 118.403 118.700 0.135 0.000 2.305 2051 N HA 0.040 4.780 4.740 0.000 0.000 0.179 2051 N C 0.573 176.119 175.510 0.060 0.000 1.019 2051 N CA 1.046 54.152 53.050 0.094 0.000 0.869 2051 N CB 0.078 38.627 38.487 0.103 0.000 1.000 2051 N HN 0.774 nan 8.380 nan 0.000 0.431 2052 R N -1.339 119.220 120.500 0.098 0.000 2.634 2052 R HA 0.435 4.775 4.340 0.000 0.000 0.263 2052 R C -0.541 175.765 176.300 0.010 0.000 1.060 2052 R CA -0.517 55.556 56.100 -0.046 0.000 0.898 2052 R CB 0.888 31.043 30.300 -0.242 0.000 1.253 2052 R HN -0.042 nan 8.270 nan 0.000 0.461 2053 S N -0.449 115.210 115.700 -0.068 0.000 2.744 2053 S HA 0.186 4.656 4.470 0.000 0.000 0.265 2053 S C -0.118 174.559 174.600 0.129 0.000 1.065 2053 S CA -0.165 58.111 58.200 0.126 0.000 1.191 2053 S CB 0.786 64.110 63.200 0.207 0.000 1.150 2053 S HN 0.242 nan 8.310 nan 0.000 0.646 2054 V N 2.987 122.793 119.914 -0.180 0.000 2.398 2054 V HA 0.660 4.780 4.120 0.000 0.000 0.286 2054 V C -1.203 174.621 176.094 -0.450 0.000 1.026 2054 V CA -0.427 61.780 62.300 -0.155 0.000 0.868 2054 V CB 0.796 32.529 31.823 -0.151 0.000 0.982 2054 V HN 0.398 nan 8.190 nan 0.000 0.443 2055 F N 1.640 121.521 119.950 -0.116 0.000 2.563 2055 F HA 0.539 5.066 4.527 0.000 0.000 0.316 2055 F C 0.114 175.834 175.800 -0.133 0.000 1.076 2055 F CA -0.861 57.070 58.000 -0.115 0.000 0.921 2055 F CB 2.077 41.018 39.000 -0.099 0.000 1.209 2055 F HN 0.394 nan 8.300 nan 0.000 0.462 2056 D N 2.422 122.852 120.400 0.050 0.000 2.471 2056 D HA 0.382 5.022 4.640 0.000 0.000 0.245 2056 D C -1.015 175.294 176.300 0.015 0.000 1.116 2056 D CA -0.109 53.882 54.000 -0.015 0.000 0.853 2056 D CB 2.546 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 2.179 122.075 119.914 -0.029 0.000 2.439 2057 V HA 0.259 4.379 4.120 0.000 0.000 0.282 2057 V C 0.601 176.667 176.094 -0.046 0.000 1.039 2057 V CA -0.255 62.036 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 0.462 nan 8.190 nan 0.000 0.460 2058 T N 7.212 121.762 114.554 -0.007 0.000 2.853 2058 T HA 0.372 4.722 4.350 0.000 0.000 0.317 2058 T C -2.131 172.584 174.700 0.026 0.000 1.059 2058 T CA -0.773 61.322 62.100 -0.007 0.000 0.954 2058 T CB 1.042 69.909 68.868 -0.002 0.000 0.994 2058 T HN 0.570 nan 8.240 nan 0.000 0.479 2059 P HA 0.459 nan 4.420 nan 0.000 0.275 2059 P C -0.535 176.821 177.300 0.094 0.000 1.266 2059 P CA -0.651 62.532 63.100 0.139 0.000 0.793 2059 P CB 0.685 32.582 31.700 0.328 0.000 1.074 2060 A N 0.999 123.864 122.820 0.074 0.000 2.371 2060 A HA 0.172 4.492 4.320 0.000 0.000 0.257 2060 A C 0.296 177.852 177.584 -0.047 0.000 1.089 2060 A CA -0.487 51.545 52.037 -0.009 0.000 0.794 2060 A CB -0.700 18.263 19.000 -0.061 0.000 1.029 2060 A HN 0.588 nan 8.150 nan 0.000 0.488 2061 N N 0.864 119.532 118.700 -0.053 0.000 3.083 2061 N HA 0.398 5.138 4.740 0.000 0.000 0.260 2061 N C -1.373 174.075 175.510 -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 0.961 120.745 119.914 -0.218 0.000 2.483 2062 V HA 0.559 4.679 4.120 0.000 0.000 0.297 2062 V C 1.004 176.972 176.094 -0.210 0.000 1.027 2062 V CA -0.642 61.502 62.300 -0.262 0.000 0.855 2062 V CB 1.051 32.582 31.823 -0.486 0.000 0.995 2062 V HN 0.735 nan 8.190 nan 0.000 0.424 2063 G N 5.287 114.047 108.800 -0.067 0.000 2.602 2063 G HA2 -0.276 3.684 3.960 0.000 0.000 0.306 2063 G HA3 -0.276 3.684 3.960 0.000 0.000 0.306 2063 G C -0.083 174.806 174.900 -0.018 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 0.764 121.345 120.570 0.019 0.000 2.304 2064 I HA 0.370 4.540 4.170 0.000 0.000 0.291 2064 I C 0.397 176.547 176.117 0.056 0.000 1.018 2064 I CA -0.692 60.619 61.300 0.019 0.000 1.260 2064 I CB 1.555 39.555 38.000 0.001 0.000 1.390 2064 I HN 0.296 nan 8.210 nan 0.000 0.475 2065 V N 7.606 127.527 119.914 0.011 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 62.055 62.300 -0.043 0.000 0.955 2065 V CB 1.143 32.903 31.823 -0.105 0.000 0.988 2065 V HN 0.747 nan 8.190 nan 0.000 0.471 2066 K N 2.918 123.274 120.400 -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 0.598 33.180 32.500 0.136 0.000 0.836 2066 K HN 0.920 nan 8.250 nan 0.000 0.490 2067 G N -0.171 108.348 108.800 -0.468 0.000 2.317 2067 G HA2 0.360 4.320 3.960 0.000 0.000 0.293 2067 G HA3 0.360 4.320 3.960 0.000 0.000 0.293 2067 G C -1.958 172.094 174.900 -1.413 0.000 1.287 2067 G CA -1.042 43.438 45.100 -1.033 0.000 0.850 2067 G HN -0.013 nan 8.290 nan 0.000 0.515 2068 F N -0.482 118.865 119.950 -1.005 0.000 2.547 2068 F HA 0.658 5.185 4.527 0.000 0.000 0.316 2068 F C -0.248 175.421 175.800 -0.218 0.000 1.121 2068 F CA -0.808 56.953 58.000 -0.399 0.000 0.911 2068 F CB 2.349 41.216 39.000 -0.222 0.000 1.179 2068 F HN 0.421 nan 8.300 nan 0.000 0.443 2069 L N 4.488 125.975 121.223 0.438 0.000 2.272 2069 L HA 0.716 5.056 4.340 0.000 0.000 0.289 2069 L C -1.045 176.166 176.870 0.568 0.000 1.032 2069 L CA -0.503 54.731 54.840 0.658 0.000 0.810 2069 L CB 1.103 43.584 42.059 0.702 0.000 1.205 2069 L HN 0.401 nan 8.230 nan 0.000 0.422 2070 V N 5.689 125.900 119.914 0.495 0.000 2.357 2070 V HA 0.394 4.514 4.120 0.000 0.000 0.284 2070 V C 0.061 176.333 176.094 0.297 0.000 1.018 2070 V CA -0.803 61.725 62.300 0.380 0.000 0.841 2070 V CB 1.154 33.137 31.823 0.266 0.000 0.991 2070 V HN 0.719 nan 8.190 nan 0.000 0.437 2071 K N 4.295 124.788 120.400 0.156 0.000 2.201 2071 K HA 0.692 5.012 4.320 0.000 0.000 0.278 2071 K C -1.336 175.243 176.600 -0.035 0.000 1.027 2071 K CA -0.365 55.748 56.287 -0.290 0.000 0.909 2071 K CB 1.536 33.901 32.500 -0.224 0.000 1.062 2071 K HN 0.502 nan 8.250 nan 0.000 0.465 2072 V N 3.501 123.372 119.914 -0.071 0.000 2.531 2072 V HA 0.358 4.478 4.120 0.000 0.000 0.301 2072 V C -0.296 175.811 176.094 0.021 0.000 1.034 2072 V CA -0.841 61.520 62.300 0.103 0.000 0.865 2072 V CB 1.627 33.637 31.823 0.312 0.000 0.995 2072 V HN 1.013 nan 8.190 nan 0.000 0.424 2073 T N 1.263 115.819 114.554 0.004 0.000 2.924 2073 T HA 0.971 5.321 4.350 0.000 0.000 0.291 2073 T C -0.489 174.215 174.700 0.006 0.000 1.045 2073 T CA -0.471 61.635 62.100 0.010 0.000 1.015 2073 T CB 2.344 71.208 68.868 -0.006 0.000 1.103 2073 T HN 1.433 nan 8.240 nan 0.000 0.496 2074 A N 0.478 123.339 122.820 0.068 0.000 2.612 2074 A HA 0.908 5.228 4.320 0.000 0.000 0.293 2074 A C -1.064 176.605 177.584 0.141 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 1.116 124.025 122.820 0.149 0.000 2.330 2075 A HA 0.774 5.094 4.320 0.000 0.000 0.313 2075 A C -0.908 176.742 177.584 0.110 0.000 1.124 2075 A CA -0.270 51.824 52.037 0.094 0.000 0.774 2075 A CB 0.407 19.434 19.000 0.045 0.000 1.198 2075 A HN 0.766 nan 8.150 nan 0.000 0.465 2076 I N 1.945 122.526 120.570 0.018 0.000 2.436 2076 I HA 0.374 4.544 4.170 0.000 0.000 0.289 2076 I C -0.280 175.739 176.117 -0.162 0.000 1.010 2076 I CA -0.245 60.994 61.300 -0.102 0.000 1.098 2076 I CB 2.573 40.478 38.000 -0.159 0.000 1.266 2076 I HN 0.560 nan 8.210 nan 0.000 0.434 2077 T N 4.229 118.673 114.554 -0.184 0.000 2.797 2077 T HA 0.241 4.591 4.350 0.000 0.000 0.279 2077 T C -0.184 174.357 174.700 -0.265 0.000 0.991 2077 T CA -0.559 61.432 62.100 -0.181 0.000 0.979 2077 T CB 1.005 69.807 68.868 -0.110 0.000 0.943 2077 T HN 0.410 nan 8.240 nan 0.000 0.444 2078 N N 2.907 121.460 118.700 -0.245 0.000 2.500 2078 N HA 0.138 4.878 4.740 0.000 0.000 0.236 2078 N C 0.412 175.837 175.510 -0.142 0.000 1.022 2078 N CA -0.454 52.448 53.050 -0.247 0.000 0.935 2078 N CB 0.253 38.603 38.487 -0.228 0.000 1.147 2078 N HN 0.395 nan 8.380 nan 0.000 0.512 2079 N N 1.422 120.044 118.700 -0.130 0.000 2.461 2079 N HA -0.085 4.655 4.740 0.000 0.000 0.188 2079 N C -0.160 175.316 175.510 -0.057 0.000 1.134 2079 N CA 0.085 53.084 53.050 -0.086 0.000 0.878 2079 N CB -0.150 38.284 38.487 -0.089 0.000 0.972 2079 N HN 0.647 nan 8.380 nan 0.000 0.456 2080 H N 0.460 119.462 119.070 -0.114 0.000 2.897 2080 H HA 0.158 4.714 4.556 0.000 0.000 0.347 2080 H C 1.286 176.574 175.328 -0.065 0.000 1.068 2080 H CA 0.325 56.323 56.048 -0.084 0.000 1.426 2080 H CB 1.028 30.738 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 -0.306 0.000 1.930 2081 A HA -0.139 4.181 4.320 0.000 0.000 0.217 2081 A C 1.977 179.580 177.584 0.031 0.000 1.175 2081 A CA 2.114 54.074 52.037 -0.128 0.000 0.627 2081 A CB -0.473 18.417 19.000 -0.185 0.000 0.815 2081 A HN 0.872 nan 8.150 nan 0.000 0.443 2082 T N -4.830 109.867 114.554 0.238 0.000 3.010 2082 T HA 0.194 4.544 4.350 0.000 0.000 0.253 2082 T C 0.293 175.074 174.700 0.136 0.000 0.939 2082 T CA -0.223 61.983 62.100 0.177 0.000 0.910 2082 T CB 0.115 69.059 68.868 0.128 0.000 1.226 2082 T HN 0.215 nan 8.240 nan 0.000 0.508 2083 E N 1.685 121.966 120.200 0.134 0.000 2.242 2083 E HA 0.731 5.081 4.350 0.000 0.000 0.275 2083 E C -0.274 176.242 176.600 -0.140 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 0.528 nan 8.360 nan 0.000 0.394 2084 A N 1.617 124.376 122.820 -0.103 0.000 2.239 2084 A HA 0.686 5.006 4.320 0.000 0.000 0.303 2084 A C -0.113 177.421 177.584 -0.083 0.000 1.114 2084 A CA -0.543 51.445 52.037 -0.081 0.000 0.871 2084 A CB 0.760 19.735 19.000 -0.043 0.000 1.201 2084 A HN 0.400 nan 8.150 nan 0.000 0.506 2085 V N -4.021 115.860 119.914 -0.054 0.000 3.078 2085 V HA 0.943 5.063 4.120 0.000 0.000 0.311 2085 V C -0.239 175.941 176.094 0.145 0.000 1.138 2085 V CA -0.323 61.993 62.300 0.027 0.000 1.007 2085 V CB 1.110 32.946 31.823 0.022 0.000 1.045 2085 V HN 1.892 nan 8.190 nan 0.000 0.432 2086 A N 2.609 125.569 122.820 0.233 0.000 2.413 2086 A HA 0.861 5.181 4.320 0.000 0.000 0.307 2086 A C -0.580 177.128 177.584 0.208 0.000 1.087 2086 A CA -0.986 51.198 52.037 0.245 0.000 0.750 2086 A CB 1.490 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 1.824 123.059 121.223 0.020 0.000 2.514 2087 L HA 0.163 4.503 4.340 0.000 0.000 0.280 2087 L C 1.503 178.277 176.870 -0.160 0.000 1.223 2087 L CA 0.074 54.723 54.840 -0.319 0.000 0.864 2087 L CB 0.553 42.460 42.059 -0.253 0.000 1.118 2087 L HN 1.004 nan 8.230 nan 0.000 0.494 2088 T N -1.958 112.476 114.554 -0.200 0.000 2.770 2088 T HA 0.080 4.430 4.350 0.000 0.000 0.281 2088 T C 0.747 175.372 174.700 -0.125 0.000 0.981 2088 T CA -0.761 61.242 62.100 -0.162 0.000 0.955 2088 T CB 0.752 69.492 68.868 -0.214 0.000 1.060 2088 T HN 0.506 nan 8.240 nan 0.000 0.531 2089 D N -0.267 120.033 120.400 -0.166 0.000 2.178 2089 D HA -0.004 4.636 4.640 0.000 0.000 0.201 2089 D C 1.534 177.998 176.300 0.274 0.000 0.980 2089 D CA 1.032 55.029 54.000 -0.005 0.000 0.842 2089 D CB -0.224 40.524 40.800 -0.086 0.000 0.948 2089 D HN 0.467 nan 8.370 nan 0.000 0.472 2090 F N 0.181 120.074 119.950 -0.094 0.000 2.473 2090 F HA 0.244 4.771 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 0.448 58.429 58.000 -0.032 0.000 1.442 2090 F CB -0.944 38.013 39.000 -0.072 0.000 1.097 2090 F HN -0.022 nan 8.300 nan 0.000 0.547 2091 G N 2.636 111.468 108.800 0.053 0.000 2.672 2091 G HA2 -0.339 3.621 3.960 0.000 0.000 0.324 2091 G HA3 -0.339 3.621 3.960 0.000 0.000 0.324 2091 G C -1.118 173.763 174.900 -0.033 0.000 1.286 2091 G CA 0.558 45.606 45.100 -0.087 0.000 1.004 2091 G HN 0.209 nan 8.290 nan 0.000 0.548 2092 P HA 0.022 nan 4.420 nan 0.000 0.225 2092 P C 1.650 178.957 177.300 0.010 0.000 1.148 2092 P CA 2.401 65.510 63.100 0.015 0.000 0.779 2092 P CB -0.393 31.308 31.700 0.001 0.000 0.780 2093 A N 0.085 122.868 122.820 -0.061 0.000 2.121 2093 A HA -0.105 4.215 4.320 0.000 0.000 0.218 2093 A C 1.859 179.567 177.584 0.207 0.000 1.154 2093 A CA 1.050 53.041 52.037 -0.078 0.000 0.679 2093 A CB -1.015 17.821 19.000 -0.274 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 0.174 4.914 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 0.092 53.288 53.050 0.242 0.000 0.835 2094 N CB 0.045 38.662 38.487 0.216 0.000 0.989 2094 N HN 0.479 nan 8.380 nan 0.000 0.478 2095 L N -0.281 121.111 121.223 0.282 0.000 2.141 2095 L HA -0.018 4.322 4.340 0.000 0.000 0.209 2095 L C 0.350 177.397 176.870 0.296 0.000 1.094 2095 L CA 0.824 55.860 54.840 0.327 0.000 0.763 2095 L CB 0.176 42.450 42.059 0.359 0.000 0.908 2095 L HN -0.112 nan 8.230 nan 0.000 0.437 2096 V N 0.054 120.064 119.914 0.161 0.000 2.370 2096 V HA 0.116 4.236 4.120 0.000 0.000 0.283 2096 V C 0.560 176.549 176.094 -0.175 0.000 1.023 2096 V CA -0.515 61.640 62.300 -0.241 0.000 0.857 2096 V CB 1.651 33.017 31.823 -0.762 0.000 0.985 2096 V HN 0.189 nan 8.190 nan 0.000 0.443 2097 Q N 3.512 123.223 119.800 -0.148 0.000 2.089 2097 Q HA 0.207 4.547 4.340 0.000 0.000 0.195 2097 Q C 0.552 176.452 176.000 -0.166 0.000 0.963 2097 Q CA 1.048 56.808 55.803 -0.071 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 -0.557 119.797 120.500 -0.243 0.000 2.668 2098 R HA 0.582 4.922 4.340 0.000 0.000 0.272 2098 R C -1.429 174.676 176.300 -0.325 0.000 1.019 2098 R CA -0.437 55.510 56.100 -0.256 0.000 0.894 2098 R CB 2.496 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 3.628 123.354 119.914 -0.313 0.000 2.588 2099 V HA 0.598 4.718 4.120 0.000 0.000 0.304 2099 V C -0.859 175.097 176.094 -0.231 0.000 1.042 2099 V CA -0.777 61.333 62.300 -0.317 0.000 0.877 2099 V CB 1.944 33.545 31.823 -0.370 0.000 0.996 2099 V HN 0.538 nan 8.190 nan 0.000 0.425 2100 I N 4.649 125.101 120.570 -0.196 0.000 2.569 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 1.088 2100 I CA -0.511 60.679 61.300 -0.184 0.000 1.047 2100 I CB 2.005 39.929 38.000 -0.126 0.000 1.237 2100 I HN 0.648 nan 8.210 nan 0.000 0.421 2101 Y N 6.002 126.080 120.300 -0.369 0.000 2.429 2101 Y HA 0.718 5.268 4.550 0.000 0.000 0.342 2101 Y C -1.731 173.904 175.900 -0.442 0.000 1.004 2101 Y CA -0.877 57.031 58.100 -0.319 0.000 1.075 2101 Y CB 1.395 39.696 38.460 -0.264 0.000 1.214 2101 Y HN 0.471 nan 8.280 nan 0.000 0.455 2102 Y N 4.143 123.879 120.300 -0.940 0.000 2.391 2102 Y HA 0.295 4.845 4.550 0.000 0.000 0.341 2102 Y C -0.263 175.054 175.900 -0.973 0.000 0.965 2102 Y CA -1.131 56.596 58.100 -0.620 0.000 1.067 2102 Y CB 1.301 39.565 38.460 -0.326 0.000 1.199 2102 Y HN 0.720 nan 8.280 nan 0.000 0.450 2103 D N 2.476 122.697 120.400 -0.299 0.000 2.433 2103 D HA 0.240 4.880 4.640 0.000 0.000 0.255 2103 D C -2.190 174.097 176.300 -0.022 0.000 1.226 2103 D CA -2.194 51.738 54.000 -0.113 0.000 1.015 2103 D CB 0.309 41.218 40.800 0.181 0.000 1.091 2103 D HN 0.163 nan 8.370 nan 0.000 0.527 2104 P HA -0.084 nan 4.420 nan 0.000 0.219 2104 P C 0.123 177.442 177.300 0.031 0.000 1.146 2104 P CA 1.104 64.220 63.100 0.025 0.000 0.808 2104 P CB 0.082 31.808 31.700 0.043 0.000 0.779 2105 D N -1.890 118.546 120.400 0.061 0.000 2.328 2105 D HA 0.018 4.658 4.640 0.000 0.000 0.226 2105 D C 0.335 176.671 176.300 0.061 0.000 1.066 2105 D CA 0.191 54.227 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 0.210 nan 8.370 nan 0.000 0.521 2106 N N 0.363 119.099 118.700 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 53.171 53.050 0.076 0.000 0.764 2106 N CB -0.414 38.071 38.487 -0.004 0.000 1.122 2106 N HN 0.135 nan 8.380 nan 0.000 0.561 2107 Q N 1.614 121.532 119.800 0.197 0.000 2.261 2107 Q HA 0.267 4.607 4.340 0.000 0.000 0.252 2107 Q C -0.240 175.892 176.000 0.221 0.000 0.915 2107 Q CA -0.279 55.640 55.803 0.194 0.000 0.915 2107 Q CB 0.902 29.723 28.738 0.138 0.000 1.204 2107 Q HN 0.260 nan 8.270 nan 0.000 0.421 2108 R N 3.727 124.280 120.500 0.089 0.000 2.438 2108 R HA 0.193 4.533 4.340 0.000 0.000 0.287 2108 R C -0.107 176.167 176.300 -0.044 0.000 1.077 2108 R CA 0.062 56.042 56.100 -0.201 0.000 1.034 2108 R CB 0.415 30.556 30.300 -0.264 0.000 0.993 2108 R HN 0.876 nan 8.270 nan 0.000 0.459 2109 H N 1.034 120.020 119.070 -0.140 0.000 4.873 2109 H HA 0.148 4.704 4.556 0.000 0.000 0.150 2109 H C 0.037 175.262 175.328 -0.173 0.000 1.395 2109 H CA -0.460 55.545 56.048 -0.071 0.000 0.838 2109 H CB 0.135 29.940 29.762 0.073 0.000 1.471 2109 H HN 0.442 nan 8.280 nan 0.000 0.374 2110 T N 1.793 116.324 114.554 -0.038 0.000 2.928 2110 T HA 0.011 4.361 4.350 0.000 0.000 0.305 2110 T C 0.250 174.857 174.700 -0.154 0.000 1.035 2110 T CA 0.607 62.607 62.100 -0.167 0.000 1.145 2110 T CB 0.241 68.972 68.868 -0.229 0.000 0.963 2110 T HN 0.368 nan 8.240 nan 0.000 0.545 2111 E N 2.397 122.516 120.200 -0.135 0.000 2.649 2111 E HA 0.335 4.685 4.350 0.000 0.000 0.310 2111 E C -0.997 175.548 176.600 -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 30.749 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 -0.896 173.646 174.700 -0.263 0.000 1.238 2112 T CA -0.171 61.838 62.100 -0.153 0.000 1.020 2112 T CB 1.210 70.050 68.868 -0.047 0.000 1.503 2112 T HN 0.356 nan 8.240 nan 0.000 0.497 2113 S N -0.064 115.394 115.700 -0.403 0.000 2.610 2113 S HA 0.494 4.964 4.470 0.000 0.000 0.273 2113 S C 1.604 175.894 174.600 -0.516 0.000 1.274 2113 S CA 0.015 57.892 58.200 -0.538 0.000 1.023 2113 S CB 0.929 63.515 63.200 -1.023 0.000 0.962 2113 S HN 1.064 nan 8.310 nan 0.000 0.523 2114 G N 1.304 109.876 108.800 -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 45.710 45.100 -0.281 0.000 0.771 2114 G HN 0.960 nan 8.290 nan 0.000 0.545 2115 W N 0.210 121.457 121.300 -0.088 0.000 2.363 2115 W HA -0.055 4.605 4.660 0.000 0.000 0.296 2115 W C 1.797 178.003 176.519 -0.522 0.000 1.212 2115 W CA 0.877 57.977 57.345 -0.409 0.000 1.260 2115 W CB -1.089 28.098 29.460 -0.455 0.000 1.131 2115 W HN 0.425 nan 8.180 nan 0.000 0.530 2116 H N 1.171 119.823 119.070 -0.696 0.000 2.326 2116 H HA -0.177 4.379 4.556 0.000 0.000 0.301 2116 H C 2.365 177.567 175.328 -0.209 0.000 1.081 2116 H CA 1.764 57.554 56.048 -0.431 0.000 1.334 2116 H CB -0.096 29.222 29.762 -0.741 0.000 1.385 2116 H HN 0.104 nan 8.280 nan 0.000 0.504 2117 L N 1.031 122.012 121.223 -0.403 0.000 2.042 2117 L HA -0.206 4.134 4.340 0.000 0.000 0.210 2117 L C 2.540 179.305 176.870 -0.175 0.000 1.076 2117 L CA 2.424 57.065 54.840 -0.332 0.000 0.749 2117 L CB -1.154 40.773 42.059 -0.219 0.000 0.893 2117 L HN 0.370 nan 8.230 nan 0.000 0.432 2118 H N -1.059 117.925 119.070 -0.143 0.000 2.353 2118 H HA -0.183 4.373 4.556 0.000 0.000 0.300 2118 H C 1.930 177.233 175.328 -0.042 0.000 1.090 2118 H CA 2.226 58.187 56.048 -0.144 0.000 1.327 2118 H CB -0.548 29.105 29.762 -0.181 0.000 1.383 2118 H HN 0.468 nan 8.280 nan 0.000 0.508 2119 F N -0.771 119.085 119.950 -0.157 0.000 2.216 2119 F HA -0.155 4.372 4.527 0.000 0.000 0.300 2119 F C 2.509 178.256 175.800 -0.089 0.000 1.085 2119 F CA 0.540 58.498 58.000 -0.070 0.000 1.326 2119 F CB -0.032 38.961 39.000 -0.011 0.000 1.027 2119 F HN 0.083 nan 8.300 nan 0.000 0.497 2120 V N 0.246 120.159 119.914 -0.001 0.000 2.453 2120 V HA -0.282 3.838 4.120 0.000 0.000 0.247 2120 V C 1.639 177.672 176.094 -0.102 0.000 1.048 2120 V CA 1.949 64.228 62.300 -0.036 0.000 1.049 2120 V CB -0.782 30.951 31.823 -0.150 0.000 0.672 2120 V HN 0.377 nan 8.190 nan 0.000 0.457 2121 N N -0.265 118.279 118.700 -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 -0.246 0.000 1.024 2121 N CA 1.791 54.557 53.050 -0.474 0.000 0.853 2121 N CB -0.208 37.551 38.487 -1.213 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 -0.184 0.000 2.708 2122 T HA -0.101 4.249 4.350 0.000 0.000 0.266 2122 T C 2.067 176.732 174.700 -0.059 0.000 1.037 2122 T CA 1.217 63.284 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 0.333 nan 8.240 nan 0.000 0.435 2123 A N 1.643 124.439 122.820 -0.041 0.000 1.908 2123 A HA -0.157 4.163 4.320 0.000 0.000 0.218 2123 A C 2.206 179.781 177.584 -0.016 0.000 1.181 2123 A CA 1.694 53.673 52.037 -0.097 0.000 0.627 2123 A CB -0.424 18.486 19.000 -0.151 0.000 0.818 2123 A HN 0.477 nan 8.150 nan 0.000 0.445 2124 K N -0.962 119.435 120.400 -0.004 0.000 2.296 2124 K HA -0.083 4.237 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 1.134 57.412 56.287 -0.015 0.000 0.966 2124 K CB -0.031 32.435 32.500 -0.057 0.000 0.754 2124 K HN 0.695 nan 8.250 nan 0.000 0.466 2125 Q N -0.044 119.760 119.800 0.007 0.000 2.212 2125 Q HA -0.062 4.278 4.340 0.000 0.000 0.199 2125 Q C 0.769 176.759 176.000 -0.016 0.000 0.950 2125 Q CA 1.214 57.028 55.803 0.018 0.000 0.863 2125 Q CB 0.379 29.180 28.738 0.104 0.000 0.944 2125 Q HN 0.388 nan 8.270 nan 0.000 0.465 2126 G N -0.521 108.261 108.800 -0.029 0.000 2.141 2126 G HA2 -0.143 3.817 3.960 0.000 0.000 0.231 2126 G HA3 -0.143 3.817 3.960 0.000 0.000 0.231 2126 G C -0.059 174.799 174.900 -0.069 0.000 0.984 2126 G CA 0.164 45.237 45.100 -0.044 0.000 0.660 2126 G HN 0.832 nan 8.290 nan 0.000 0.525 2127 A N -1.319 121.457 122.820 -0.074 0.000 2.567 2127 A HA 0.786 5.106 4.320 0.000 0.000 0.291 2127 A C -3.152 174.395 177.584 -0.061 0.000 1.048 2127 A CA -0.695 51.290 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 -0.362 176.999 177.300 0.101 0.000 1.172 2128 P CA 0.536 63.646 63.100 0.017 0.000 0.762 2128 P CB -0.135 31.578 31.700 0.020 0.000 0.764 2129 F N 5.803 125.748 119.950 -0.008 0.000 2.593 2129 F HA -0.058 4.469 4.527 0.000 0.000 0.393 2129 F C 1.143 176.961 175.800 0.031 0.000 1.037 2129 F CA 0.343 58.350 58.000 0.012 0.000 1.195 2129 F CB -0.461 38.567 39.000 0.047 0.000 1.034 2129 F HN 0.272 nan 8.300 nan 0.000 0.552 2130 L N 3.557 124.441 121.223 -0.565 0.000 3.839 2130 L HA -0.321 4.019 4.340 0.000 0.000 0.416 2130 L C 0.615 177.341 176.870 -0.241 0.000 1.195 2130 L CA 0.553 55.070 54.840 -0.538 0.000 0.946 2130 L CB -2.383 39.203 42.059 -0.789 0.000 1.891 2130 L HN 0.721 nan 8.230 nan 0.000 0.963 2131 S N -1.860 113.761 115.700 -0.131 0.000 2.632 2131 S HA 0.532 5.002 4.470 0.000 0.000 0.267 2131 S C 0.302 174.855 174.600 -0.078 0.000 1.276 2131 S CA -0.057 58.103 58.200 -0.067 0.000 0.998 2131 S CB 2.195 65.380 63.200 -0.024 0.000 0.953 2131 S HN 0.270 nan 8.310 nan 0.000 0.547 2132 S N 1.876 117.546 115.700 -0.050 0.000 2.438 2132 S HA 0.454 4.924 4.470 0.000 0.000 0.316 2132 S C -0.052 174.528 174.600 -0.034 0.000 1.084 2132 S CA -1.015 57.159 58.200 -0.043 0.000 1.107 2132 S CB -0.388 62.798 63.200 -0.024 0.000 0.981 2132 S HN 0.783 nan 8.310 nan 0.000 0.466 2133 M N 4.302 123.874 119.600 -0.046 0.000 2.242 2133 M HA 0.562 5.042 4.480 0.000 0.000 0.344 2133 M C -0.904 175.378 176.300 -0.030 0.000 1.140 2133 M CA -0.443 54.832 55.300 -0.042 0.000 1.160 2133 M CB 0.607 33.172 32.600 -0.058 0.000 1.491 2133 M HN 0.248 nan 8.290 nan 0.000 0.459 2134 V N 2.857 122.758 119.914 -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 1.127 32.948 31.823 -0.004 0.000 0.983 2134 V HN 1.110 nan 8.190 nan 0.000 0.460 2135 T N -0.221 114.327 114.554 -0.010 0.000 2.804 2135 T HA 0.352 4.702 4.350 0.000 0.000 0.290 2135 T C 0.265 174.967 174.700 0.004 0.000 1.099 2135 T CA -0.249 61.842 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 0.622 nan 8.240 nan 0.000 0.523 2136 D N -0.156 120.245 120.400 0.002 0.000 2.328 2136 D HA 0.079 4.719 4.640 0.000 0.000 0.226 2136 D C 0.637 176.953 176.300 0.026 0.000 1.066 2136 D CA -0.194 53.813 54.000 0.011 0.000 0.861 2136 D CB -0.346 40.457 40.800 0.005 0.000 0.912 2136 D HN 0.384 nan 8.370 nan 0.000 0.521 2137 S N 1.806 117.531 115.700 0.041 0.000 2.525 2137 S HA 0.091 4.561 4.470 0.000 0.000 0.285 2137 S C -1.046 173.607 174.600 0.088 0.000 1.283 2137 S CA -0.931 57.318 58.200 0.082 0.000 1.072 2137 S CB 1.016 64.310 63.200 0.156 0.000 0.867 2137 S HN 0.097 nan 8.310 nan 0.000 0.492 2138 P HA 0.071 nan 4.420 nan 0.000 0.225 2138 P C 0.137 177.454 177.300 0.029 0.000 1.156 2138 P CA 0.310 63.433 63.100 0.039 0.000 0.787 2138 P CB -0.032 31.683 31.700 0.025 0.000 0.802 2139 I N 1.115 121.716 120.570 0.052 0.000 2.648 2139 I HA -0.023 4.147 4.170 0.000 0.000 0.284 2139 I C 1.359 177.424 176.117 -0.087 0.000 1.153 2139 I CA 0.293 61.566 61.300 -0.044 0.000 1.426 2139 I CB 0.191 38.160 38.000 -0.052 0.000 1.381 2139 I HN -0.271 nan 8.210 nan 0.000 0.571 2140 K N 6.519 126.811 120.400 -0.179 0.000 3.233 2140 K HA 0.079 4.399 4.320 0.000 0.000 0.283 2140 K C -0.724 175.781 176.600 -0.157 0.000 1.209 2140 K CA 0.004 56.214 56.287 -0.129 0.000 1.197 2140 K CB -0.544 31.899 32.500 -0.096 0.000 1.431 2140 K HN 0.385 nan 8.250 nan 0.000 0.326 2141 Y N 0.351 120.640 120.300 -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 0.937 39.380 38.460 -0.028 0.000 1.350 2141 Y HN 0.429 nan 8.280 nan 0.000 0.575 2142 G N 0.161 109.055 108.800 0.156 0.000 2.302 2142 G HA2 -0.053 3.907 3.960 0.000 0.000 0.264 2142 G HA3 -0.053 3.907 3.960 0.000 0.000 0.264 2142 G C -1.774 173.150 174.900 0.039 0.000 1.335 2142 G CA -0.827 44.317 45.100 0.074 0.000 0.982 2142 G HN 0.531 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 0.453 5.093 4.640 0.000 0.000 0.220 2143 D C 1.388 177.694 176.300 0.011 0.000 1.158 2143 D CA 0.088 54.095 54.000 0.012 0.000 0.992 2143 D CB 0.707 41.514 40.800 0.012 0.000 1.058 2143 D HN 0.250 nan 8.370 nan 0.000 0.516 2144 V N 2.826 122.745 119.914 0.008 0.000 2.685 2144 V HA -0.029 4.091 4.120 0.000 0.000 0.244 2144 V C 1.859 177.955 176.094 0.003 0.000 1.054 2144 V CA 0.792 63.094 62.300 0.002 0.000 1.076 2144 V CB -0.129 31.691 31.823 -0.005 0.000 0.725 2144 V HN 0.558 nan 8.190 nan 0.000 0.467 2145 M N -0.461 119.140 119.600 0.001 0.000 2.371 2145 M HA 0.292 4.772 4.480 0.000 0.000 0.246 2145 M C 0.363 176.676 176.300 0.022 0.000 1.103 2145 M CA 0.070 55.374 55.300 0.006 0.000 1.010 2145 M CB -0.595 32.000 32.600 -0.009 0.000 1.457 2145 M HN 0.379 nan 8.290 nan 0.000 0.486 2146 N N 1.190 119.902 118.700 0.020 0.000 2.699 2146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 2146 N C 1.030 176.578 175.510 0.063 0.000 0.993 2146 N CA 0.275 53.347 53.050 0.037 0.000 0.759 2146 N CB -1.230 37.284 38.487 0.045 0.000 0.906 2146 N HN 0.156 nan 8.380 nan 0.000 0.541 2147 V N -0.223 119.712 119.914 0.034 0.000 2.287 2147 V HA -0.114 4.006 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 1.564 63.897 62.300 0.055 0.000 1.027 2147 V CB 0.014 31.751 31.823 -0.143 0.000 0.646 2147 V HN 0.409 nan 8.190 nan 0.000 0.447 2148 I N 0.488 121.109 120.570 0.084 0.000 2.410 2148 I HA 0.485 4.655 4.170 0.000 0.000 0.286 2148 I C -1.130 175.024 176.117 0.061 0.000 1.009 2148 I CA -0.299 61.060 61.300 0.098 0.000 1.111 2148 I CB 1.727 39.767 38.000 0.067 0.000 1.262 2148 I HN 0.230 nan 8.210 nan 0.000 0.443 2149 D N 5.487 125.927 120.400 0.068 0.000 2.736 2149 D HA 0.801 5.441 4.640 0.000 0.000 0.223 2149 D C -1.590 174.753 176.300 0.073 0.000 1.231 2149 D CA -0.320 53.717 54.000 0.062 0.000 0.818 2149 D CB 2.321 43.160 40.800 0.065 0.000 1.587 2149 D HN 0.675 nan 8.370 nan 0.000 0.463 2150 A N 2.574 125.440 122.820 0.077 0.000 2.532 2150 A HA 0.625 4.945 4.320 0.000 0.000 0.296 2150 A C -2.821 174.841 177.584 0.131 0.000 1.058 2150 A CA -1.152 50.955 52.037 0.116 0.000 0.729 2150 A CB 1.400 20.452 19.000 0.086 0.000 1.285 2150 A HN 0.433 nan 8.150 nan 0.000 0.396 2151 P HA 0.312 nan 4.420 nan 0.000 0.268 2151 P C 0.977 178.405 177.300 0.212 0.000 1.204 2151 P CA 0.447 63.641 63.100 0.158 0.000 0.768 2151 P CB 1.323 33.097 31.700 0.123 0.000 0.842 2152 A N 3.511 126.413 122.820 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 1.871 53.981 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 -3.723 110.938 114.554 0.179 0.000 2.883 2153 T HA 0.679 5.029 4.350 0.000 0.000 0.301 2153 T C -0.861 173.866 174.700 0.045 0.000 1.158 2153 T CA -0.626 61.564 62.100 0.150 0.000 1.007 2153 T CB 1.515 70.424 68.868 0.069 0.000 1.186 2153 T HN 0.177 nan 8.240 nan 0.000 0.499 2154 I N 1.696 122.218 120.570 -0.080 0.000 2.439 2154 I HA 0.576 4.747 4.170 0.000 0.000 0.283 2154 I C 0.662 176.701 176.117 -0.130 0.000 1.023 2154 I CA -1.144 60.049 61.300 -0.179 0.000 1.100 2154 I CB 1.467 39.221 38.000 -0.410 0.000 1.238 2154 I HN 1.030 nan 8.210 nan 0.000 0.445 2155 A N 4.660 127.431 122.820 -0.082 0.000 2.327 2155 A HA 0.699 5.019 4.320 0.000 0.000 0.255 2155 A C 0.625 178.169 177.584 -0.066 0.000 1.099 2155 A CA -0.244 51.758 52.037 -0.059 0.000 0.801 2155 A CB 0.393 19.372 19.000 -0.035 0.000 1.062 2155 A HN 0.836 nan 8.150 nan 0.000 0.496 2156 A N -0.360 122.438 122.820 -0.037 0.000 2.548 2156 A HA 0.467 4.787 4.320 0.000 0.000 0.247 2156 A C 1.599 179.165 177.584 -0.030 0.000 1.067 2156 A CA 0.855 52.883 52.037 -0.014 0.000 0.757 2156 A CB -1.088 17.929 19.000 0.029 0.000 0.996 2156 A HN 2.736 nan 8.150 nan 0.000 0.504 2157 G N 0.896 109.669 108.800 -0.044 0.000 2.199 2157 G HA2 0.122 4.082 3.960 0.000 0.000 0.254 2157 G HA3 0.122 4.082 3.960 0.000 0.000 0.254 2157 G C 0.580 175.446 174.900 -0.058 0.000 0.982 2157 G CA 0.592 45.663 45.100 -0.049 0.000 0.632 2157 G HN 2.158 nan 8.290 nan 0.000 0.529 2158 A N -0.496 122.281 122.820 -0.071 0.000 2.264 2158 A HA 0.846 5.166 4.320 0.000 0.000 0.304 2158 A C 0.275 177.802 177.584 -0.096 0.000 1.100 2158 A CA 0.701 52.694 52.037 -0.072 0.000 0.839 2158 A CB 1.031 19.991 19.000 -0.067 0.000 1.121 2158 A HN 0.715 nan 8.150 nan 0.000 0.496 2159 T N 0.510 115.018 114.554 -0.077 0.000 2.812 2159 T HA 0.618 4.968 4.350 0.000 0.000 0.282 2159 T C 0.167 174.829 174.700 -0.063 0.000 0.990 2159 T CA 0.054 62.107 62.100 -0.079 0.000 0.960 2159 T CB 1.554 70.393 68.868 -0.049 0.000 0.948 2159 T HN 1.043 nan 8.240 nan 0.000 0.438 2160 G N 1.849 110.603 108.800 -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 44.479 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 0.051 0.000 2.171 2161 E HA 0.445 4.795 4.350 0.000 0.000 0.271 2161 E C -0.384 176.275 176.600 0.099 0.000 0.916 2161 E CA -0.399 56.042 56.400 0.068 0.000 0.774 2161 E CB 2.374 32.103 29.700 0.048 0.000 1.128 2161 E HN 0.312 nan 8.360 nan 0.000 0.403 2162 L N 1.017 122.310 121.223 0.118 0.000 2.341 2162 L HA 0.665 5.005 4.340 0.000 0.000 0.267 2162 L C -0.063 176.867 176.870 0.099 0.000 1.009 2162 L CA -0.886 54.032 54.840 0.128 0.000 0.819 2162 L CB 2.061 44.228 42.059 0.180 0.000 1.323 2162 L HN 0.316 nan 8.230 nan 0.000 0.425 2163 T N 2.211 116.818 114.554 0.089 0.000 2.921 2163 T HA 0.671 5.021 4.350 0.000 0.000 0.297 2163 T C -0.827 173.912 174.700 0.066 0.000 1.013 2163 T CA -0.425 61.718 62.100 0.071 0.000 0.990 2163 T CB 2.229 71.161 68.868 0.106 0.000 1.023 2163 T HN 0.494 nan 8.240 nan 0.000 0.447 2164 M N 3.049 122.652 119.600 0.005 0.000 2.484 2164 M HA 0.690 5.170 4.480 0.000 0.000 0.289 2164 M C -2.387 173.846 176.300 -0.112 0.000 1.206 2164 M CA -0.737 54.542 55.300 -0.035 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 2.562 122.816 120.300 -0.076 0.000 2.477 2165 Y HA 0.694 5.244 4.550 0.000 0.000 0.347 2165 Y C -1.573 174.360 175.900 0.054 0.000 0.981 2165 Y CA -0.349 57.816 58.100 0.108 0.000 1.033 2165 Y CB 2.083 40.662 38.460 0.199 0.000 1.245 2165 Y HN 0.619 nan 8.280 nan 0.000 0.455 2166 Y N 1.324 121.910 120.300 0.477 0.000 2.477 2166 Y HA 0.268 4.818 4.550 0.000 0.000 0.347 2166 Y C -0.943 175.180 175.900 0.373 0.000 0.981 2166 Y CA -1.507 56.778 58.100 0.308 0.000 1.033 2166 Y CB 1.959 40.478 38.460 0.098 0.000 1.245 2166 Y HN 0.644 nan 8.280 nan 0.000 0.455 2167 W N 5.176 126.574 121.300 0.164 0.000 2.329 2167 W HA 0.653 5.313 4.660 0.000 0.000 0.312 2167 W C -1.835 174.710 176.519 0.044 0.000 1.054 2167 W CA -1.002 56.425 57.345 0.138 0.000 1.245 2167 W CB 1.402 30.907 29.460 0.075 0.000 1.255 2167 W HN 0.302 nan 8.180 nan 0.000 0.436 2168 V N 9.451 129.068 119.914 -0.494 0.000 2.334 2168 V HA 0.182 4.302 4.120 0.000 0.000 0.267 2168 V C -1.592 174.009 176.094 -0.822 0.000 1.040 2168 V CA -1.578 60.442 62.300 -0.467 0.000 0.866 2168 V CB 0.907 32.576 31.823 -0.256 0.000 1.019 2168 V HN 0.365 nan 8.190 nan 0.000 0.468 2169 P HA 0.371 nan 4.420 nan 0.000 0.282 2169 P C 0.069 177.244 177.300 -0.207 0.000 1.249 2169 P CA -0.275 62.636 63.100 -0.313 0.000 0.806 2169 P CB 2.442 34.261 31.700 0.198 0.000 0.984 2170 L N 1.477 122.634 121.223 -0.111 0.000 2.675 2170 L HA 0.317 4.657 4.340 0.000 0.000 0.178 2170 L C 1.387 178.394 176.870 0.228 0.000 1.135 2170 L CA 0.119 54.917 54.840 -0.069 0.000 0.855 2170 L CB -0.836 41.063 42.059 -0.267 0.000 1.235 2170 L HN 0.325 nan 8.230 nan 0.000 0.499 2171 A N -0.932 122.001 122.820 0.189 0.000 2.407 2171 A HA -0.011 4.309 4.320 0.000 0.000 0.248 2171 A C 0.543 178.318 177.584 0.319 0.000 1.082 2171 A CA 0.000 52.174 52.037 0.228 0.000 0.785 2171 A CB -0.014 19.077 19.000 0.153 0.000 1.020 2171 A HN 0.360 nan 8.150 nan 0.000 0.489 2172 Y N 2.209 122.531 120.300 0.036 0.000 2.181 2172 Y HA -0.026 4.524 4.550 0.000 0.000 0.288 2172 Y C 1.225 177.110 175.900 -0.024 0.000 1.146 2172 Y CA 1.726 59.675 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 -2.462 113.236 115.700 -0.004 0.000 2.727 2173 S HA 0.264 4.734 4.470 0.000 0.000 0.278 2173 S C 0.306 174.909 174.600 0.004 0.000 1.186 2173 S CA -0.648 57.504 58.200 -0.080 0.000 0.836 2173 S CB 1.095 64.221 63.200 -0.123 0.000 1.186 2173 S HN 0.077 nan 8.310 nan 0.000 0.499 2174 E N 1.109 121.282 120.200 -0.045 0.000 2.274 2174 E HA -0.006 4.344 4.350 0.000 0.000 0.194 2174 E C 1.680 178.273 176.600 -0.011 0.000 0.996 2174 E CA 1.824 58.202 56.400 -0.037 0.000 0.840 2174 E CB -0.324 29.325 29.700 -0.085 0.000 0.772 2174 E HN 0.849 nan 8.360 nan 0.000 0.491 2175 T N -2.478 112.078 114.554 0.003 0.000 2.985 2175 T HA 0.058 4.408 4.350 0.000 0.000 0.254 2175 T C 0.421 175.142 174.700 0.034 0.000 1.021 2175 T CA -0.313 61.794 62.100 0.013 0.000 0.957 2175 T CB 0.434 69.307 68.868 0.008 0.000 1.047 2175 T HN -0.209 nan 8.240 nan 0.000 0.511 2176 D N 1.220 121.663 120.400 0.071 0.000 2.461 2176 D HA 0.307 4.947 4.640 0.000 0.000 0.240 2176 D C 0.674 177.022 176.300 0.080 0.000 1.094 2176 D CA -0.679 53.373 54.000 0.086 0.000 0.868 2176 D CB 0.948 41.863 40.800 0.192 0.000 1.062 2176 D HN 0.213 nan 8.370 nan 0.000 0.530 2177 L N 2.436 123.677 121.223 0.030 0.000 2.627 2177 L HA 0.071 4.411 4.340 0.000 0.000 0.233 2177 L C 0.780 177.652 176.870 0.004 0.000 1.144 2177 L CA 0.215 55.072 54.840 0.029 0.000 0.892 2177 L CB -0.406 41.660 42.059 0.012 0.000 1.039 2177 L HN 0.258 nan 8.230 nan 0.000 0.442 2178 T N 0.786 115.306 114.554 -0.057 0.000 2.871 2178 T HA 0.225 4.575 4.350 0.000 0.000 0.296 2178 T C 1.248 175.929 174.700 -0.031 0.000 0.998 2178 T CA 1.085 63.070 62.100 -0.192 0.000 1.162 2178 T CB 0.867 69.393 68.868 -0.570 0.000 0.947 2178 T HN 0.638 nan 8.240 nan 0.000 0.536 2179 G N 2.126 110.938 108.800 0.020 0.000 2.234 2179 G HA2 -0.098 3.862 3.960 0.000 0.000 0.235 2179 G HA3 -0.098 3.862 3.960 0.000 0.000 0.235 2179 G C 0.390 175.403 174.900 0.187 0.000 0.997 2179 G CA -0.019 45.201 45.100 0.200 0.000 0.623 2179 G HN 1.161 nan 8.290 nan 0.000 0.514 2180 A N -0.407 122.479 122.820 0.109 0.000 2.429 2180 A HA 0.612 4.932 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 0.917 52.993 52.037 0.065 0.000 0.784 2180 A CB 0.785 19.811 19.000 0.044 0.000 1.038 2180 A HN 1.231 nan 8.150 nan 0.000 0.501 2181 V N 1.891 121.825 119.914 0.032 0.000 2.487 2181 V HA 0.301 4.421 4.120 0.000 0.000 0.298 2181 V C -0.555 175.567 176.094 0.046 0.000 1.028 2181 V CA -0.515 61.821 62.300 0.060 0.000 0.860 2181 V CB 1.428 33.284 31.823 0.055 0.000 0.991 2181 V HN 0.781 nan 8.190 nan 0.000 0.427 2182 L N 5.449 126.704 121.223 0.054 0.000 2.295 2182 L HA 0.663 5.003 4.340 0.000 0.000 0.288 2182 L C 0.576 177.473 176.870 0.044 0.000 1.079 2182 L CA 0.178 55.039 54.840 0.034 0.000 0.830 2182 L CB 0.680 42.760 42.059 0.036 0.000 1.200 2182 L HN 0.743 nan 8.230 nan 0.000 0.438 2183 A N 4.826 127.663 122.820 0.027 0.000 2.937 2183 A HA 0.417 4.737 4.320 0.000 0.000 0.338 2183 A C 0.341 177.933 177.584 0.012 0.000 1.273 2183 A CA -0.435 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 0.490 119.209 118.700 0.032 0.000 2.193 2184 N HA 0.007 4.747 4.740 0.000 0.000 0.210 2184 N C -0.343 175.192 175.510 0.043 0.000 1.215 2184 N CA 0.135 53.210 53.050 0.042 0.000 0.901 2184 N CB -0.008 38.527 38.487 0.079 0.000 1.060 2184 N HN 0.152 nan 8.380 nan 0.000 0.508 2185 V N 3.206 123.143 119.914 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 -0.814 61.505 62.300 0.032 0.000 1.077 2185 V CB -0.327 31.515 31.823 0.031 0.000 1.054 2185 V HN 0.073 nan 8.190 nan 0.000 0.477 2186 P HA 0.405 nan 4.420 nan 0.000 0.271 2186 P C 0.588 177.894 177.300 0.009 0.000 1.220 2186 P CA 1.189 64.297 63.100 0.013 0.000 0.768 2186 P CB 0.714 32.422 31.700 0.014 0.000 0.848 2187 Q N -0.217 119.585 119.800 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 0.971 116.670 115.700 -0.000 0.000 2.516 2188 S HA 0.599 5.069 4.470 0.000 0.000 0.268 2188 S C 0.079 174.676 174.600 -0.005 0.000 1.251 2188 S CA 0.059 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 0.958 nan 8.310 nan 0.000 0.479 2189 K N 1.517 121.906 120.400 -0.018 0.000 2.154 2189 K HA 0.513 4.833 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 -0.600 55.675 56.287 -0.020 0.000 0.937 2189 K CB 0.707 33.191 32.500 -0.027 0.000 1.002 2189 K HN 0.591 nan 8.250 nan 0.000 0.469 2190 Q N 0.772 120.555 119.800 -0.028 0.000 2.237 2190 Q HA 0.310 4.650 4.340 0.000 0.000 0.219 2190 Q C -0.645 175.277 176.000 -0.131 0.000 0.999 2190 Q CA -0.834 54.914 55.803 -0.092 0.000 0.959 2190 Q CB 1.105 29.871 28.738 0.047 0.000 1.173 2190 Q HN 0.569 nan 8.270 nan 0.000 0.527 2191 R N 0.574 120.922 120.500 -0.252 0.000 2.522 2191 R HA 0.421 4.761 4.340 0.000 0.000 0.283 2191 R C -2.194 173.976 176.300 -0.216 0.000 1.074 2191 R CA -0.646 55.351 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 4.182 125.290 121.223 -0.190 0.000 2.318 2192 L HA 0.486 4.826 4.340 0.000 0.000 0.277 2192 L C -0.999 175.760 176.870 -0.186 0.000 1.008 2192 L CA -0.197 54.506 54.840 -0.229 0.000 0.846 2192 L CB 1.222 43.001 42.059 -0.467 0.000 1.220 2192 L HN 0.591 nan 8.230 nan 0.000 0.423 2193 K N 5.436 125.752 120.400 -0.141 0.000 2.183 2193 K HA 0.620 4.940 4.320 0.000 0.000 0.274 2193 K C -1.520 174.945 176.600 -0.225 0.000 1.009 2193 K CA -0.498 55.710 56.287 -0.132 0.000 0.888 2193 K CB 0.739 33.206 32.500 -0.056 0.000 1.078 2193 K HN 0.690 nan 8.250 nan 0.000 0.459 2194 L N 4.274 125.340 121.223 -0.262 0.000 2.349 2194 L HA 0.370 4.710 4.340 0.000 0.000 0.278 2194 L C -0.581 176.053 176.870 -0.394 0.000 0.996 2194 L CA -0.603 53.949 54.840 -0.479 0.000 0.825 2194 L CB 1.918 43.535 42.059 -0.738 0.000 1.243 2194 L HN 0.618 nan 8.230 nan 0.000 0.412 2195 E N 3.683 123.641 120.200 -0.403 0.000 2.073 2195 E HA 0.371 4.721 4.350 0.000 0.000 0.269 2195 E C -1.027 175.416 176.600 -0.261 0.000 0.917 2195 E CA -0.445 55.831 56.400 -0.207 0.000 0.757 2195 E CB 1.285 30.904 29.700 -0.135 0.000 1.111 2195 E HN 0.264 nan 8.360 nan 0.000 0.410 2196 F N 1.300 121.254 119.950 0.006 0.000 2.375 2196 F HA 0.362 4.889 4.527 0.000 0.000 0.313 2196 F C 1.175 177.001 175.800 0.042 0.000 1.176 2196 F CA -0.639 57.388 58.000 0.044 0.000 1.142 2196 F CB 0.577 39.684 39.000 0.178 0.000 1.275 2196 F HN 0.380 nan 8.300 nan 0.000 0.544 2197 A N 1.532 124.507 122.820 0.258 0.000 2.386 2197 A HA 0.447 4.767 4.320 0.000 0.000 0.246 2197 A C -0.313 177.337 177.584 0.109 0.000 1.089 2197 A CA -0.148 51.993 52.037 0.173 0.000 0.790 2197 A CB -0.078 19.060 19.000 0.230 0.000 1.042 2197 A HN 0.894 nan 8.150 nan 0.000 0.497 2198 N N -1.073 117.735 118.700 0.180 0.000 3.316 2198 N HA 0.217 4.957 4.740 0.000 0.000 0.300 2198 N C -0.205 175.534 175.510 0.381 0.000 1.567 2198 N CA -0.732 52.450 53.050 0.220 0.000 0.821 2198 N CB 0.259 38.855 38.487 0.181 0.000 1.748 2198 N HN 0.295 nan 8.380 nan 0.000 0.603 2199 N N -0.534 118.414 118.700 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 0.667 53.986 53.050 0.449 0.000 0.911 2199 N CB -0.524 38.216 38.487 0.421 0.000 0.961 2199 N HN 0.564 nan 8.380 nan 0.000 0.446 2200 N N -0.863 117.957 118.700 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 0.417 38.977 38.487 0.121 0.000 0.999 2200 N HN 0.249 nan 8.380 nan 0.000 0.464 2201 T N -3.110 111.487 114.554 0.072 0.000 3.000 2201 T HA 0.316 4.666 4.350 0.000 0.000 0.248 2201 T C 1.830 176.499 174.700 -0.051 0.000 1.034 2201 T CA 0.112 62.236 62.100 0.041 0.000 1.060 2201 T CB 0.098 69.010 68.868 0.073 0.000 0.983 2201 T HN 0.035 nan 8.240 nan 0.000 0.482 2202 A N 0.767 123.447 122.820 -0.234 0.000 2.119 2202 A HA 0.432 4.752 4.320 0.000 0.000 0.216 2202 A C 0.311 177.471 177.584 -0.706 0.000 1.152 2202 A CA 0.110 51.802 52.037 -0.575 0.000 0.708 2202 A CB -0.606 17.833 19.000 -0.935 0.000 0.805 2202 A HN 0.601 nan 8.150 nan 0.000 0.460 2203 F N -0.503 119.507 119.950 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 -0.793 57.249 58.000 0.069 0.000 0.962 2203 F CB 1.658 40.678 39.000 0.034 0.000 1.171 2203 F HN 0.065 nan 8.300 nan 0.000 0.436 2204 A N 2.371 125.309 122.820 0.196 0.000 2.304 2204 A HA 0.848 5.168 4.320 0.000 0.000 0.323 2204 A C -0.101 177.541 177.584 0.096 0.000 1.195 2204 A CA -0.557 51.548 52.037 0.114 0.000 0.826 2204 A CB 0.657 19.693 19.000 0.059 0.000 1.184 2204 A HN 0.896 nan 8.150 nan 0.000 0.496 2205 A N 1.766 124.630 122.820 0.073 0.000 2.346 2205 A HA 0.528 4.848 4.320 0.000 0.000 0.252 2205 A C 0.431 178.032 177.584 0.028 0.000 1.089 2205 A CA -0.304 51.760 52.037 0.045 0.000 0.797 2205 A CB -0.026 18.998 19.000 0.040 0.000 1.047 2205 A HN 1.175 nan 8.150 nan 0.000 0.494 2206 V N 1.054 120.975 119.914 0.011 0.000 2.694 2206 V HA 0.369 4.489 4.120 0.000 0.000 0.306 2206 V C 1.715 177.813 176.094 0.007 0.000 1.054 2206 V CA 1.821 64.124 62.300 0.005 0.000 1.161 2206 V CB 0.049 31.868 31.823 -0.007 0.000 0.916 2206 V HN 1.965 nan 8.190 nan 0.000 0.490 2207 G N 3.210 112.013 108.800 0.006 0.000 2.253 2207 G HA2 -0.157 3.803 3.960 0.000 0.000 0.251 2207 G HA3 -0.157 3.803 3.960 0.000 0.000 0.251 2207 G C 0.448 175.352 174.900 0.007 0.000 0.998 2207 G CA 0.328 45.430 45.100 0.002 0.000 0.621 2207 G HN 1.517 nan 8.290 nan 0.000 0.524 2208 A N -0.141 122.689 122.820 0.017 0.000 2.287 2208 A HA 0.641 4.961 4.320 0.000 0.000 0.273 2208 A C 0.527 178.127 177.584 0.027 0.000 1.091 2208 A CA 0.187 52.237 52.037 0.023 0.000 0.817 2208 A CB 0.349 19.370 19.000 0.035 0.000 1.069 2208 A HN 0.552 nan 8.150 nan 0.000 0.492 2209 N N 1.064 119.784 118.700 0.033 0.000 2.452 2209 N HA 0.142 4.882 4.740 0.000 0.000 0.266 2209 N C -1.686 173.846 175.510 0.037 0.000 1.175 2209 N CA -1.451 51.632 53.050 0.056 0.000 0.945 2209 N CB 1.008 39.530 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 1.578 178.710 177.300 -0.281 0.000 1.248 2210 P CA -0.099 62.934 63.100 -0.113 0.000 0.807 2210 P CB 0.491 32.104 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 1.818 178.494 176.870 -0.323 0.000 1.084 2211 L CA 2.232 56.795 54.840 -0.461 0.000 0.791 2211 L CB -0.911 41.097 42.059 -0.085 0.000 0.898 2211 L HN -0.088 nan 8.230 nan 0.000 0.440 2212 E N -0.143 120.021 120.200 -0.060 0.000 2.474 2212 E HA 0.275 4.625 4.350 0.000 0.000 0.195 2212 E C 0.733 177.362 176.600 0.047 0.000 1.039 2212 E CA 0.578 57.028 56.400 0.084 0.000 0.881 2212 E CB -0.093 29.687 29.700 0.134 0.000 0.970 2212 E HN 0.578 nan 8.360 nan 0.000 0.486 2213 A N 0.875 123.675 122.820 -0.034 0.000 2.271 2213 A HA 0.486 4.806 4.320 0.000 0.000 0.288 2213 A C 1.119 178.672 177.584 -0.052 0.000 1.094 2213 A CA -0.432 51.582 52.037 -0.039 0.000 0.828 2213 A CB 0.506 19.489 19.000 -0.027 0.000 1.091 2213 A HN 0.044 nan 8.150 nan 0.000 0.493 2214 I N -1.519 119.015 120.570 -0.060 0.000 2.810 2214 I HA 0.114 4.284 4.170 0.000 0.000 0.262 2214 I C -0.346 175.591 176.117 -0.301 0.000 1.131 2214 I CA 0.672 61.901 61.300 -0.118 0.000 1.453 2214 I CB -0.014 37.977 38.000 -0.014 0.000 1.161 2214 I HN 0.586 nan 8.210 nan 0.000 0.444 2215 Y N 0.396 120.741 120.300 0.075 0.000 2.499 2215 Y HA 0.556 5.106 4.550 0.000 0.000 0.347 2215 Y C -0.250 175.715 175.900 0.109 0.000 0.987 2215 Y CA -0.720 57.449 58.100 0.116 0.000 1.044 2215 Y CB 1.789 40.367 38.460 0.196 0.000 1.245 2215 Y HN -0.058 nan 8.280 nan 0.000 0.461 2216 Q N 1.515 121.439 119.800 0.207 0.000 2.359 2216 Q HA 0.761 5.101 4.340 0.000 0.000 0.274 2216 Q C -1.006 175.049 176.000 0.092 0.000 1.074 2216 Q CA -0.630 55.246 55.803 0.122 0.000 0.810 2216 Q CB 2.615 31.381 28.738 0.047 0.000 1.342 2216 Q HN 0.963 nan 8.270 nan 0.000 0.427 2217 G N 0.436 109.266 108.800 0.050 0.000 2.320 2217 G HA2 0.373 4.333 3.960 0.000 0.000 0.297 2217 G HA3 0.373 4.333 3.960 0.000 0.000 0.297 2217 G C -0.377 174.492 174.900 -0.052 0.000 1.344 2217 G CA -0.133 44.967 45.100 0.001 0.000 0.851 2217 G HN 0.695 nan 8.290 nan 0.000 0.567 2218 A N -0.882 121.877 122.820 -0.101 0.000 2.172 2218 A HA 0.368 4.688 4.320 0.000 0.000 0.216 2218 A C 2.155 179.519 177.584 -0.367 0.000 1.154 2218 A CA 2.532 54.463 52.037 -0.177 0.000 0.701 2218 A CB -0.371 18.528 19.000 -0.167 0.000 0.789 2218 A HN 1.934 nan 8.150 nan 0.000 0.465 2219 G N -1.712 106.877 108.800 -0.352 0.000 3.126 2219 G HA2 0.338 4.298 3.960 0.000 0.000 0.224 2219 G HA3 0.338 4.298 3.960 0.000 0.000 0.224 2219 G C 1.303 176.101 174.900 -0.169 0.000 1.142 2219 G CA 0.834 45.667 45.100 -0.446 0.000 0.759 2219 G HN 0.580 nan 8.290 nan 0.000 0.550 2220 A N 1.505 124.262 122.820 -0.105 0.000 1.917 2220 A HA 0.065 4.385 4.320 0.000 0.000 0.219 2220 A C 2.752 180.318 177.584 -0.029 0.000 1.182 2220 A CA 2.326 54.341 52.037 -0.037 0.000 0.633 2220 A CB -0.729 18.317 19.000 0.076 0.000 0.819 2220 A HN 0.825 nan 8.150 nan 0.000 0.448 2221 A N -0.737 122.098 122.820 0.024 0.000 2.024 2221 A HA -0.145 4.175 4.320 0.000 0.000 0.220 2221 A C 1.358 178.951 177.584 0.015 0.000 1.164 2221 A CA 1.897 53.965 52.037 0.051 0.000 0.643 2221 A CB -0.395 18.649 19.000 0.074 0.000 0.806 2221 A HN 0.450 nan 8.150 nan 0.000 0.451 2222 D N -1.470 118.929 120.400 -0.001 0.000 2.363 2222 D HA 0.187 4.827 4.640 0.000 0.000 0.214 2222 D C -0.155 176.028 176.300 -0.196 0.000 1.093 2222 D CA -0.129 53.840 54.000 -0.050 0.000 0.837 2222 D CB -0.209 40.598 40.800 0.011 0.000 0.948 2222 D HN 0.311 nan 8.370 nan 0.000 0.507 2223 C N 1.765 120.824 119.300 -0.401 0.000 2.539 2223 C HA 0.557 5.017 4.460 0.000 0.000 0.392 2223 C C 0.572 175.095 174.990 -0.778 0.000 1.269 2223 C CA -0.541 57.990 59.018 -0.811 0.000 2.250 2223 C CB 0.144 26.943 27.740 -1.568 0.000 2.584 2223 C HN 0.384 nan 8.230 nan 0.000 0.589 2224 E N 0.979 120.831 120.200 -0.579 0.000 2.390 2224 E HA 0.484 4.834 4.350 0.000 0.000 0.280 2224 E C -1.704 174.881 176.600 -0.025 0.000 0.992 2224 E CA -0.663 55.664 56.400 -0.123 0.000 0.790 2224 E CB 0.682 30.375 29.700 -0.011 0.000 1.248 2224 E HN 0.425 nan 8.360 nan 0.000 0.447 2225 F N 1.720 121.804 119.950 0.223 0.000 2.412 2225 F HA 0.177 4.704 4.527 0.000 0.000 0.348 2225 F C 1.615 177.442 175.800 0.044 0.000 1.102 2225 F CA -0.181 57.906 58.000 0.146 0.000 1.196 2225 F CB 1.196 40.266 39.000 0.117 0.000 1.144 2225 F HN 0.541 nan 8.300 nan 0.000 0.541 2226 E N 1.708 122.025 120.200 0.195 0.000 2.122 2226 E HA -0.021 4.329 4.350 0.000 0.000 0.190 2226 E C 0.008 176.644 176.600 0.059 0.000 0.977 2226 E CA 0.756 57.210 56.400 0.090 0.000 0.820 2226 E CB 0.085 29.810 29.700 0.042 0.000 0.770 2226 E HN 0.824 nan 8.360 nan 0.000 0.462 2227 E N -0.967 119.261 120.200 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 -0.539 55.775 56.400 -0.143 0.000 0.856 2227 E CB 0.881 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 0.497 4.667 4.170 0.000 0.000 0.295 2228 I C -0.992 174.652 176.117 -0.787 0.000 1.114 2228 I CA -0.845 59.980 61.300 -0.792 0.000 1.038 2228 I CB 2.388 39.633 38.000 -1.258 0.000 1.238 2228 I HN 0.530 nan 8.210 nan 0.000 0.420 2229 S N 3.819 119.271 115.700 -0.413 0.000 2.548 2229 S HA 0.723 5.193 4.470 0.000 0.000 0.286 2229 S C -1.479 173.038 174.600 -0.138 0.000 1.098 2229 S CA -0.601 57.425 58.200 -0.290 0.000 0.930 2229 S CB 1.970 65.050 63.200 -0.200 0.000 1.070 2229 S HN 0.524 nan 8.310 nan 0.000 0.480 2230 Y N -1.068 119.136 120.300 -0.160 0.000 2.553 2230 Y HA 0.864 5.414 4.550 0.000 0.000 0.347 2230 Y C -0.912 174.955 175.900 -0.055 0.000 1.019 2230 Y CA -0.874 57.189 58.100 -0.063 0.000 1.032 2230 Y CB 1.177 39.656 38.460 0.030 0.000 1.284 2230 Y HN 0.426 nan 8.280 nan 0.000 0.466 2231 T N 2.934 117.600 114.554 0.188 0.000 2.928 2231 T HA 0.502 4.852 4.350 0.000 0.000 0.296 2231 T C -1.452 173.342 174.700 0.157 0.000 1.000 2231 T CA -0.650 61.478 62.100 0.047 0.000 0.989 2231 T CB 1.421 70.257 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 -0.724 61.683 62.300 0.177 0.000 0.870 2232 V CB 0.583 32.514 31.823 0.179 0.000 0.984 2232 V HN 0.809 nan 8.190 nan 0.000 0.451 2233 Y N 3.161 123.641 120.300 0.300 0.000 2.341 2233 Y HA 0.494 5.044 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 1.687 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 2.247 122.286 119.800 0.397 0.000 2.290 2234 Q HA 0.444 4.784 4.340 0.000 0.000 0.259 2234 Q C -0.924 175.205 176.000 0.214 0.000 0.941 2234 Q CA -0.576 55.342 55.803 0.190 0.000 0.912 2234 Q CB 1.360 30.239 28.738 0.235 0.000 1.244 2234 Q HN 0.656 nan 8.270 nan 0.000 0.441 2235 S N 4.209 119.943 115.700 0.056 0.000 2.437 2235 S HA 0.647 5.117 4.470 0.000 0.000 0.305 2235 S C -1.377 173.299 174.600 0.128 0.000 1.109 2235 S CA -0.348 57.931 58.200 0.130 0.000 1.099 2235 S CB 0.269 63.658 63.200 0.315 0.000 1.004 2235 S HN 0.573 nan 8.310 nan 0.000 0.475 2236 Y N 1.958 122.249 120.300 -0.015 0.000 2.705 2236 Y HA 0.703 5.253 4.550 0.000 0.000 0.332 2236 Y C -1.878 174.014 175.900 -0.014 0.000 1.221 2236 Y CA -1.563 56.517 58.100 -0.034 0.000 1.059 2236 Y CB 0.861 39.295 38.460 -0.043 0.000 1.298 2236 Y HN 0.413 nan 8.280 nan 0.000 0.459 2237 L N 2.426 123.745 121.223 0.160 0.000 2.313 2237 L HA 0.468 4.808 4.340 0.000 0.000 0.283 2237 L C -0.912 176.050 176.870 0.153 0.000 1.013 2237 L CA -0.540 54.331 54.840 0.051 0.000 0.816 2237 L CB 1.387 43.459 42.059 0.020 0.000 1.236 2237 L HN 0.677 nan 8.230 nan 0.000 0.419 2238 D N 1.625 122.077 120.400 0.087 0.000 2.442 2238 D HA 0.235 4.875 4.640 0.000 0.000 0.254 2238 D C -0.263 176.067 176.300 0.050 0.000 1.069 2238 D CA 0.040 54.121 54.000 0.135 0.000 1.017 2238 D CB 1.096 41.998 40.800 0.169 0.000 1.172 2238 D HN 0.310 nan 8.370 nan 0.000 0.561 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 -0.540 175.468 176.000 0.014 0.000 1.386 2239 Q CA 0.398 56.228 55.803 0.045 0.000 0.872 2239 Q CB -1.939 26.821 28.738 0.038 0.000 1.151 2239 Q HN 0.454 nan 8.270 nan 0.000 0.417 2240 L N 1.998 123.191 121.223 -0.049 0.000 2.490 2240 L HA 0.120 4.460 4.340 0.000 0.000 0.274 2240 L C -1.047 175.811 176.870 -0.020 0.000 1.201 2240 L CA -1.160 53.589 54.840 -0.152 0.000 0.869 2240 L CB -0.192 41.562 42.059 -0.509 0.000 1.123 2240 L HN 0.027 nan 8.230 nan 0.000 0.484 2241 P HA 0.130 nan 4.420 nan 0.000 0.271 2241 P C -0.830 176.587 177.300 0.194 0.000 1.216 2241 P CA -0.169 62.982 63.100 0.085 0.000 0.771 2241 P CB 1.333 33.059 31.700 0.044 0.000 0.864 2242 V N 2.497 122.525 119.914 0.189 0.000 2.667 2242 V HA 0.768 4.888 4.120 0.000 0.000 0.308 2242 V C 0.904 177.053 176.094 0.091 0.000 1.048 2242 V CA -0.227 62.182 62.300 0.182 0.000 0.928 2242 V CB 1.681 33.572 31.823 0.112 0.000 1.004 2242 V HN 0.890 nan 8.190 nan 0.000 0.444 2243 G N 1.234 110.075 108.800 0.070 0.000 3.251 2243 G HA2 0.552 4.512 3.960 0.000 0.000 0.248 2243 G HA3 0.552 4.512 3.960 0.000 0.000 0.248 2243 G C 0.572 175.484 174.900 0.021 0.000 1.320 2243 G CA 0.457 45.582 45.100 0.042 0.000 0.982 2243 G HN 0.730 nan 8.290 nan 0.000 0.575 2244 Q N -1.867 117.943 119.800 0.016 0.000 2.084 2244 Q HA -0.082 4.258 4.340 0.000 0.000 0.202 2244 Q C 2.126 178.128 176.000 0.003 0.000 0.978 2244 Q CA 2.412 58.219 55.803 0.007 0.000 0.844 2244 Q CB -1.604 27.139 28.738 0.008 0.000 0.898 2244 Q HN 1.294 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 1.290 176.803 175.510 0.004 0.000 1.141 2245 N CA 0.972 54.027 53.050 0.007 0.000 0.830 2245 N CB -0.190 38.307 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 -0.336 174.598 174.900 0.056 0.000 1.250 2246 G CA -0.409 44.666 45.100 -0.041 0.000 0.926 2246 G HN 0.572 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 1.520 177.428 175.900 0.013 0.000 1.208 2247 Y CA -0.171 57.938 58.100 0.015 0.000 1.521 2247 Y CB 0.132 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 6.693 127.377 120.570 0.189 0.000 2.379 2248 I HA 0.151 4.321 4.170 0.000 0.000 0.290 2248 I C -0.551 175.596 176.117 0.050 0.000 1.063 2248 I CA 0.205 61.559 61.300 0.090 0.000 1.351 2248 I CB 0.198 38.236 38.000 0.063 0.000 1.410 2248 I HN 0.379 nan 8.210 nan 0.000 0.505 2249 L N 8.556 129.804 121.223 0.042 0.000 2.455 2249 L HA 0.461 4.801 4.340 0.000 0.000 0.264 2249 L C -2.518 174.358 176.870 0.011 0.000 0.968 2249 L CA -1.823 53.026 54.840 0.015 0.000 0.827 2249 L CB 2.526 44.599 42.059 0.023 0.000 1.317 2249 L HN 0.354 nan 8.230 nan 0.000 0.407 2250 P HA 0.161 nan 4.420 nan 0.000 0.273 2250 P C 0.639 177.934 177.300 -0.008 0.000 1.428 2250 P CA -0.203 62.892 63.100 -0.010 0.000 0.995 2250 P CB 0.698 32.386 31.700 -0.020 0.000 1.286 2251 L N 2.886 124.108 121.223 -0.002 0.000 2.131 2251 L HA -0.144 4.196 4.340 0.000 0.000 0.210 2251 L C 2.381 179.244 176.870 -0.010 0.000 1.092 2251 L CA 1.261 56.102 54.840 0.002 0.000 0.759 2251 L CB -0.567 41.497 42.059 0.008 0.000 0.903 2251 L HN 0.281 nan 8.230 nan 0.000 0.435 2252 I N -0.348 120.206 120.570 -0.028 0.000 2.286 2252 I HA -0.219 3.951 4.170 0.000 0.000 0.245 2252 I C 2.060 178.134 176.117 -0.072 0.000 1.104 2252 I CA 0.972 62.242 61.300 -0.049 0.000 1.397 2252 I CB -0.373 37.589 38.000 -0.064 0.000 1.072 2252 I HN 0.194 nan 8.210 nan 0.000 0.417 2253 D N 1.284 121.640 120.400 -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 1.420 55.369 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 0.316 121.534 121.223 -0.008 0.000 2.551 2254 L HA 0.000 4.340 4.340 0.000 0.000 0.228 2254 L C 1.574 178.469 176.870 0.041 0.000 1.153 2254 L CA 0.670 55.526 54.840 0.027 0.000 0.851 2254 L CB -0.195 41.881 42.059 0.028 0.000 0.959 2254 L HN 0.034 nan 8.230 nan 0.000 0.451 2255 S N -3.093 112.615 115.700 0.014 0.000 2.593 2255 S HA 0.168 4.638 4.470 0.000 0.000 0.236 2255 S C 0.507 175.107 174.600 0.001 0.000 0.991 2255 S CA -0.547 57.665 58.200 0.020 0.000 0.963 2255 S CB 0.163 63.371 63.200 0.013 0.000 0.865 2255 S HN 0.086 nan 8.310 nan 0.000 0.488 2256 T N 2.821 117.364 114.554 -0.019 0.000 2.855 2256 T HA 0.570 4.920 4.350 0.000 0.000 0.281 2256 T C -0.571 174.126 174.700 -0.006 0.000 1.007 2256 T CA -0.600 61.471 62.100 -0.049 0.000 1.009 2256 T CB 1.345 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 3.247 124.464 121.223 -0.009 0.000 2.289 2257 L HA 0.453 4.793 4.340 0.000 0.000 0.285 2257 L C -0.928 176.024 176.870 0.136 0.000 1.049 2257 L CA -1.044 53.767 54.840 -0.049 0.000 0.804 2257 L CB 0.630 42.559 42.059 -0.217 0.000 1.195 2257 L HN 0.624 nan 8.230 nan 0.000 0.428 2258 Y N 4.520 124.865 120.300 0.076 0.000 2.402 2258 Y HA 0.471 5.021 4.550 0.000 0.000 0.332 2258 Y C -0.848 174.997 175.900 -0.091 0.000 0.960 2258 Y CA -1.240 56.962 58.100 0.170 0.000 1.228 2258 Y CB 0.581 39.270 38.460 0.383 0.000 1.120 2258 Y HN 0.523 nan 8.280 nan 0.000 0.491 2259 N N 5.894 124.165 118.700 -0.716 0.000 2.265 2259 N HA 0.568 5.308 4.740 0.000 0.000 0.300 2259 N C -1.526 173.472 175.510 -0.853 0.000 1.148 2259 N CA -0.648 51.900 53.050 -0.838 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 0.584 121.510 121.223 -0.496 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 -0.012 0.000 1.006 2260 L CA -0.549 54.177 54.840 -0.191 0.000 0.817 2260 L CB 1.702 43.616 42.059 -0.242 0.000 1.272 2260 L HN 0.387 nan 8.230 nan 0.000 0.421 2261 E N 2.454 122.788 120.200 0.224 0.000 2.408 2261 E HA 0.382 4.732 4.350 0.000 0.000 0.275 2261 E C -1.480 175.218 176.600 0.163 0.000 0.935 2261 E CA -0.850 55.677 56.400 0.213 0.000 0.775 2261 E CB 3.146 33.045 29.700 0.332 0.000 1.277 2261 E HN 0.670 nan 8.360 nan 0.000 0.455 2262 N N -0.049 118.680 118.700 0.049 0.000 2.405 2262 N HA 0.535 5.275 4.740 0.000 0.000 0.285 2262 N C -1.142 174.405 175.510 0.061 0.000 1.262 2262 N CA -0.578 52.429 53.050 -0.072 0.000 0.773 2262 N CB 2.013 40.340 38.487 -0.265 0.000 1.490 2262 N HN 0.492 nan 8.380 nan 0.000 0.486 2263 S N -1.385 114.359 115.700 0.073 0.000 2.656 2263 S HA 0.887 5.357 4.470 0.000 0.000 0.273 2263 S C -1.556 173.119 174.600 0.124 0.000 1.168 2263 S CA -0.881 57.391 58.200 0.120 0.000 0.817 2263 S CB 1.258 64.560 63.200 0.170 0.000 1.146 2263 S HN 1.091 nan 8.310 nan 0.000 0.475 2264 A N 1.005 123.902 122.820 0.128 0.000 2.414 2264 A HA 0.824 5.144 4.320 0.000 0.000 0.306 2264 A C -1.337 176.330 177.584 0.138 0.000 1.054 2264 A CA -0.741 51.379 52.037 0.138 0.000 0.724 2264 A CB 1.572 20.653 19.000 0.135 0.000 1.267 2264 A HN 0.776 nan 8.150 nan 0.000 0.418 2265 Q N 0.626 120.528 119.800 0.170 0.000 2.359 2265 Q HA 0.788 5.128 4.340 0.000 0.000 0.274 2265 Q C -0.669 175.475 176.000 0.240 0.000 1.074 2265 Q CA -0.591 55.356 55.803 0.240 0.000 0.810 2265 Q CB 2.033 30.971 28.738 0.333 0.000 1.342 2265 Q HN 1.196 nan 8.270 nan 0.000 0.427 2266 A N -0.338 122.623 122.820 0.234 0.000 2.486 2266 A HA 0.932 5.252 4.320 0.000 0.000 0.289 2266 A C 0.348 178.029 177.584 0.161 0.000 1.176 2266 A CA -0.285 51.796 52.037 0.074 0.000 0.757 2266 A CB 1.428 20.454 19.000 0.043 0.000 1.337 2266 A HN 1.408 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 0.011 3.971 3.960 0.000 0.000 0.156 2267 G HA3 0.011 3.971 3.960 0.000 0.000 0.156 2267 G C -0.425 174.486 174.900 0.018 0.000 1.017 2267 G CA -0.032 45.128 45.100 0.100 0.000 0.686 2267 G HN 0.752 nan 8.290 nan 0.000 0.503 2268 L N 1.479 122.511 121.223 -0.319 0.000 2.395 2268 L HA 0.779 5.119 4.340 0.000 0.000 0.269 2268 L C 0.975 177.770 176.870 -0.126 0.000 1.133 2268 L CA 0.513 55.136 54.840 -0.361 0.000 0.812 2268 L CB 1.670 43.372 42.059 -0.595 0.000 1.125 2268 L HN 0.459 nan 8.230 nan 0.000 0.452 2269 T N -0.109 114.400 114.554 -0.075 0.000 2.952 2269 T HA 0.543 4.893 4.350 0.000 0.000 0.305 2269 T C -2.858 171.812 174.700 -0.049 0.000 1.064 2269 T CA -2.229 59.847 62.100 -0.041 0.000 1.008 2269 T CB 1.911 70.772 68.868 -0.011 0.000 1.078 2269 T HN 0.163 nan 8.240 nan 0.000 0.459 2270 P HA 0.119 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 0.564 63.639 63.100 -0.042 0.000 0.760 2270 P CB 0.073 31.758 31.700 -0.025 0.000 0.783 2271 N N -0.985 117.673 118.700 -0.070 0.000 2.778 2271 N HA -0.144 4.596 4.740 0.000 0.000 0.249 2271 N C -0.577 174.896 175.510 -0.062 0.000 1.069 2271 N CA 0.752 53.761 53.050 -0.069 0.000 0.831 2271 N CB -1.640 36.829 38.487 -0.029 0.000 1.142 2271 N HN 0.194 nan 8.380 nan 0.000 0.573 2272 V N 1.143 121.018 119.914 -0.065 0.000 2.513 2272 V HA 0.226 4.346 4.120 0.000 0.000 0.299 2272 V C 0.125 176.189 176.094 -0.050 0.000 1.035 2272 V CA -0.812 61.466 62.300 -0.035 0.000 0.889 2272 V CB 2.084 33.904 31.823 -0.005 0.000 0.988 2272 V HN -0.048 nan 8.190 nan 0.000 0.440 2273 D N 3.393 123.772 120.400 -0.034 0.000 2.434 2273 D HA 0.111 4.751 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 0.493 54.470 54.000 -0.038 0.000 0.886 2273 D CB 0.399 41.199 40.800 0.000 0.000 1.148 2273 D HN 0.347 nan 8.370 nan 0.000 0.483 2274 F N 3.628 123.484 119.950 -0.156 0.000 2.385 2274 F HA 0.328 4.855 4.527 0.000 0.000 0.360 2274 F C -0.708 175.034 175.800 -0.096 0.000 1.122 2274 F CA -0.779 57.145 58.000 -0.127 0.000 1.090 2274 F CB 0.782 39.678 39.000 -0.173 0.000 1.150 2274 F HN 0.001 nan 8.300 nan 0.000 0.472 2275 V N 6.943 126.563 119.914 -0.489 0.000 2.417 2275 V HA 0.411 4.531 4.120 0.000 0.000 0.291 2275 V C -0.597 175.240 176.094 -0.429 0.000 1.024 2275 V CA -0.906 61.192 62.300 -0.335 0.000 0.861 2275 V CB 1.424 33.133 31.823 -0.190 0.000 0.985 2275 V HN 0.495 nan 8.190 nan 0.000 0.436 2276 V N 5.102 124.867 119.914 -0.249 0.000 2.328 2276 V HA 0.334 4.454 4.120 0.000 0.000 0.278 2276 V C 0.109 176.076 176.094 -0.212 0.000 1.021 2276 V CA -0.707 61.460 62.300 -0.222 0.000 0.838 2276 V CB 1.275 33.034 31.823 -0.108 0.000 0.999 2276 V HN 0.814 nan 8.190 nan 0.000 0.447 2277 Q N 3.016 122.700 119.800 -0.193 0.000 2.352 2277 Q HA 0.276 4.616 4.340 0.000 0.000 0.260 2277 Q C -0.821 175.023 176.000 -0.259 0.000 0.976 2277 Q CA 0.117 55.827 55.803 -0.156 0.000 0.881 2277 Q CB 1.018 29.694 28.738 -0.103 0.000 1.235 2277 Q HN 0.633 nan 8.270 nan 0.000 0.419 2278 Y N 0.070 120.255 120.300 -0.192 0.000 2.304 2278 Y HA 0.348 4.898 4.550 0.000 0.000 0.328 2278 Y C 0.736 176.527 175.900 -0.182 0.000 1.123 2278 Y CA -0.392 57.481 58.100 -0.378 0.000 1.218 2278 Y CB 1.034 39.204 38.460 -0.484 0.000 1.207 2278 Y HN 0.644 nan 8.280 nan 0.000 0.495 2279 A N 3.024 125.860 122.820 0.025 0.000 2.313 2279 A HA 0.310 4.630 4.320 0.000 0.000 0.261 2279 A C -0.146 177.415 177.584 -0.038 0.000 1.090 2279 A CA -0.798 51.193 52.037 -0.076 0.000 0.807 2279 A CB -0.012 18.821 19.000 -0.278 0.000 1.055 2279 A HN 0.875 nan 8.150 nan 0.000 0.492 2280 N N -0.678 117.931 118.700 -0.152 0.000 2.408 2280 N HA 0.533 5.273 4.740 0.000 0.000 0.260 2280 N C 0.547 175.937 175.510 -0.199 0.000 1.242 2280 N CA -0.137 52.820 53.050 -0.155 0.000 0.959 2280 N CB 0.500 38.890 38.487 -0.162 0.000 1.201 2280 N HN 0.731 nan 8.380 nan 0.000 0.511 2281 L N -4.089 117.055 121.223 -0.131 0.000 3.271 2281 L HA -0.300 4.040 4.340 0.000 0.000 0.385 2281 L C -0.302 176.779 176.870 0.351 0.000 0.696 2281 L CA 1.324 56.210 54.840 0.078 0.000 3.118 2281 L CB -1.368 40.697 42.059 0.010 0.000 0.639 2281 L HN 0.628 nan 8.230 nan 0.000 0.752 2282 Y N 1.303 121.591 120.300 -0.020 0.000 2.346 2282 Y HA 0.266 4.816 4.550 0.000 0.000 0.330 2282 Y C 1.031 176.912 175.900 -0.033 0.000 1.178 2282 Y CA -0.631 57.326 58.100 -0.237 0.000 1.331 2282 Y CB 0.503 38.379 38.460 -0.973 0.000 1.253 2282 Y HN 0.060 nan 8.280 nan 0.000 0.529 2283 R N 3.562 124.152 120.500 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 0.075 0.000 1.014 2283 R CA -0.602 55.593 56.100 0.158 0.000 0.907 2283 R CB 0.371 30.710 30.300 0.064 0.000 1.146 2283 R HN 0.535 nan 8.270 nan 0.000 0.499 2284 Y N 3.235 123.643 120.300 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 -0.267 57.952 58.100 0.197 0.000 1.241 2284 Y CB 0.642 39.237 38.460 0.225 0.000 1.153 2284 Y HN 0.464 nan 8.280 nan 0.000 0.521 2285 L N 1.900 123.243 121.223 0.199 0.000 2.162 2285 L HA 0.039 4.379 4.340 0.000 0.000 0.205 2285 L C 0.757 177.740 176.870 0.187 0.000 1.086 2285 L CA 0.607 55.505 54.840 0.096 0.000 0.778 2285 L CB -0.114 41.921 42.059 -0.039 0.000 0.928 2285 L HN 0.624 nan 8.230 nan 0.000 0.446 2286 S N -1.988 113.887 115.700 0.291 0.000 2.570 2286 S HA 0.610 5.080 4.470 0.000 0.000 0.270 2286 S C -0.623 174.176 174.600 0.330 0.000 1.149 2286 S CA -0.678 57.666 58.200 0.239 0.000 0.837 2286 S CB 2.363 65.750 63.200 0.311 0.000 1.124 2286 S HN -0.071 nan 8.310 nan 0.000 0.465 2287 T N 1.939 116.600 114.554 0.178 0.000 2.916 2287 T HA 0.610 4.960 4.350 0.000 0.000 0.298 2287 T C -0.954 173.725 174.700 -0.034 0.000 1.031 2287 T CA -0.397 61.766 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 2.238 122.725 120.570 -0.138 0.000 2.509 2288 I HA 0.723 4.893 4.170 0.000 0.000 0.293 2288 I C -0.348 175.624 176.117 -0.241 0.000 1.020 2288 I CA -0.928 60.331 61.300 -0.068 0.000 1.088 2288 I CB 1.749 39.810 38.000 0.102 0.000 1.267 2288 I HN 0.734 nan 8.210 nan 0.000 0.430 2289 A N 6.250 128.981 122.820 -0.149 0.000 2.335 2289 A HA 0.754 5.074 4.320 0.000 0.000 0.304 2289 A C -1.142 176.519 177.584 0.129 0.000 1.118 2289 A CA -0.475 51.489 52.037 -0.121 0.000 0.757 2289 A CB 1.352 20.190 19.000 -0.271 0.000 1.188 2289 A HN 0.392 nan 8.150 nan 0.000 0.460 2290 V N 3.334 123.340 119.914 0.154 0.000 2.357 2290 V HA 0.316 4.436 4.120 0.000 0.000 0.284 2290 V C -0.697 175.580 176.094 0.305 0.000 1.018 2290 V CA -0.393 62.043 62.300 0.226 0.000 0.841 2290 V CB 1.195 33.100 31.823 0.136 0.000 0.991 2290 V HN 0.782 nan 8.190 nan 0.000 0.437 2291 F N 5.285 125.326 119.950 0.152 0.000 2.406 2291 F HA 0.370 4.897 4.527 0.000 0.000 0.358 2291 F C 0.456 176.146 175.800 -0.184 0.000 1.161 2291 F CA -1.794 56.212 58.000 0.011 0.000 1.185 2291 F CB 0.174 39.202 39.000 0.046 0.000 1.421 2291 F HN 0.600 nan 8.300 nan 0.000 0.576 2292 D N 4.248 124.630 120.400 -0.030 0.000 2.435 2292 D HA -0.029 4.611 4.640 0.000 0.000 0.230 2292 D C -0.087 175.876 176.300 -0.563 0.000 1.215 2292 D CA 0.087 53.759 54.000 -0.547 0.000 0.947 2292 D CB -0.318 40.401 40.800 -0.134 0.000 1.048 2292 D HN 0.273 nan 8.370 nan 0.000 0.512 2293 N N 2.829 120.944 118.700 -0.974 0.000 3.050 2293 N HA 0.192 4.932 4.740 0.000 0.000 0.289 2293 N C 0.732 175.931 175.510 -0.518 0.000 1.209 2293 N CA 0.410 52.936 53.050 -0.873 0.000 1.154 2293 N CB -0.433 37.335 38.487 -1.198 0.000 1.444 2293 N HN 0.608 nan 8.380 nan 0.000 0.529 2294 G N 0.982 109.577 108.800 -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 0.981 175.749 174.900 -0.221 0.000 1.040 2294 G CA 0.566 45.535 45.100 -0.219 0.000 0.942 2294 G HN 1.106 nan 8.290 nan 0.000 0.506 2295 G N -2.333 106.290 108.800 -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 0.475 175.244 174.900 -0.219 0.000 0.990 2295 G CA 0.645 45.646 45.100 -0.165 0.000 0.627 2295 G HN 1.742 nan 8.290 nan 0.000 0.522 2296 S N 0.260 115.698 115.700 -0.437 0.000 2.508 2296 S HA 0.761 5.231 4.470 0.000 0.000 0.284 2296 S C -0.810 173.379 174.600 -0.685 0.000 1.192 2296 S CA -0.297 57.693 58.200 -0.351 0.000 1.070 2296 S CB 0.885 63.912 63.200 -0.288 0.000 1.004 2296 S HN 0.308 nan 8.310 nan 0.000 0.493 2297 F N 2.903 122.747 119.950 -0.177 0.000 2.445 2297 F HA 0.442 4.969 4.527 0.000 0.000 0.348 2297 F C 0.454 176.193 175.800 -0.103 0.000 1.125 2297 F CA -0.850 57.055 58.000 -0.158 0.000 0.983 2297 F CB 1.204 40.113 39.000 -0.152 0.000 1.198 2297 F HN 0.389 nan 8.300 nan 0.000 0.436 2298 N N 1.429 120.126 118.700 -0.004 0.000 2.384 2298 N HA 0.501 5.241 4.740 0.000 0.000 0.301 2298 N C -0.489 175.087 175.510 0.110 0.000 1.133 2298 N CA -0.705 52.363 53.050 0.030 0.000 0.853 2298 N CB 2.237 40.706 38.487 -0.030 0.000 1.241 2298 N HN 0.574 nan 8.380 nan 0.000 0.502 2299 A N 0.616 123.498 122.820 0.103 0.000 3.063 2299 A HA 0.461 4.781 4.320 0.000 0.000 0.263 2299 A C 1.354 179.046 177.584 0.181 0.000 1.736 2299 A CA 0.341 52.457 52.037 0.131 0.000 1.408 2299 A CB -1.426 17.631 19.000 0.096 0.000 1.108 2299 A HN 0.916 nan 8.150 nan 0.000 0.621 2300 G N 1.065 110.035 108.800 0.284 0.000 2.302 2300 G HA2 -0.423 3.537 3.960 0.000 0.000 0.263 2300 G HA3 -0.423 3.537 3.960 0.000 0.000 0.263 2300 G C 1.361 176.349 174.900 0.148 0.000 0.995 2300 G CA 1.549 46.812 45.100 0.272 0.000 0.622 2300 G HN 1.558 nan 8.290 nan 0.000 0.538 2301 T N -0.620 114.001 114.554 0.112 0.000 2.977 2301 T HA 0.044 4.394 4.350 0.000 0.000 0.271 2301 T C 1.480 176.211 174.700 0.052 0.000 1.105 2301 T CA 1.876 64.017 62.100 0.068 0.000 1.116 2301 T CB -0.242 68.654 68.868 0.046 0.000 0.878 2301 T HN 0.625 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 0.148 176.533 176.300 0.141 0.000 1.112 2302 D CA -0.494 53.556 54.000 0.085 0.000 0.834 2302 D CB -0.307 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 0.465 121.072 120.570 0.061 0.000 2.545 2303 I HA 0.217 4.387 4.170 0.000 0.000 0.292 2303 I C 0.619 176.684 176.117 -0.086 0.000 1.040 2303 I CA -0.863 60.400 61.300 -0.062 0.000 1.068 2303 I CB 2.139 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 3.894 122.495 118.700 -0.166 0.000 2.197 2304 N HA -0.002 4.738 4.740 0.000 0.000 0.184 2304 N C -0.569 174.946 175.510 0.008 0.000 1.030 2304 N CA 1.405 54.402 53.050 -0.088 0.000 0.851 2304 N CB 0.246 38.642 38.487 -0.153 0.000 1.003 2304 N HN 0.629 nan 8.380 nan 0.000 0.430 2305 Y N -1.977 118.245 120.300 -0.130 0.000 2.741 2305 Y HA 0.630 5.180 4.550 0.000 0.000 0.339 2305 Y C -1.791 173.937 175.900 -0.286 0.000 1.226 2305 Y CA -1.441 56.566 58.100 -0.154 0.000 1.072 2305 Y CB 0.477 38.887 38.460 -0.083 0.000 1.331 2305 Y HN -0.276 nan 8.280 nan 0.000 0.453 2306 L N 1.639 122.806 121.223 -0.094 0.000 2.333 2306 L HA 0.924 5.264 4.340 0.000 0.000 0.263 2306 L C -0.099 176.654 176.870 -0.194 0.000 1.014 2306 L CA -0.547 54.002 54.840 -0.485 0.000 0.820 2306 L CB 2.215 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 -0.169 115.317 115.700 -0.356 0.000 2.636 2307 S HA 0.588 5.058 4.470 0.000 0.000 0.268 2307 S C -2.079 172.391 174.600 -0.217 0.000 1.159 2307 S CA -0.616 57.549 58.200 -0.058 0.000 0.815 2307 S CB 1.608 64.815 63.200 0.011 0.000 1.130 2307 S HN 0.578 nan 8.310 nan 0.000 0.471 2308 Q N 1.073 120.872 119.800 -0.003 0.000 2.304 2308 Q HA 0.570 4.910 4.340 0.000 0.000 0.270 2308 Q C -1.106 174.919 176.000 0.042 0.000 1.035 2308 Q CA -0.683 55.151 55.803 0.052 0.000 0.781 2308 Q CB 2.205 31.032 28.738 0.147 0.000 1.261 2308 Q HN 0.665 nan 8.270 nan 0.000 0.444 2309 R N -0.637 119.893 120.500 0.050 0.000 2.604 2309 R HA 0.440 4.780 4.340 0.000 0.000 0.281 2309 R C -0.340 175.981 176.300 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 0.503 nan 8.270 nan 0.000 0.450 2310 T N 0.685 115.249 114.554 0.017 0.000 3.418 2310 T HA 0.446 4.796 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 -0.528 68.342 68.868 0.003 0.000 1.121 2310 T HN 1.087 nan 8.240 nan 0.000 0.608 2311 A N 1.499 124.322 122.820 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 1.757 53.792 52.037 -0.003 0.000 0.715 2311 A CB -2.355 16.641 19.000 -0.007 0.000 1.178 2311 A HN 2.329 nan 8.150 nan 0.000 0.370 2312 N N -2.436 116.258 118.700 -0.009 0.000 2.677 2312 N HA 0.424 5.164 4.740 0.000 0.000 0.249 2312 N C 1.306 176.811 175.510 -0.009 0.000 1.073 2312 N CA 2.170 55.215 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 -2.173 117.771 119.950 -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 -1.727 37.266 39.000 -0.011 0.000 0.776 2313 F HN 1.961 nan 8.300 nan 0.000 0.850 2314 S N 1.422 117.115 115.700 -0.012 0.000 2.721 2314 S HA 0.480 4.950 4.470 0.000 0.000 0.264 2314 S C -0.929 173.664 174.600 -0.011 0.000 1.161 2314 S CA -0.289 57.903 58.200 -0.013 0.000 1.113 2314 S CB 0.646 63.840 63.200 -0.009 0.000 1.079 2314 S HN 0.579 nan 8.310 nan 0.000 0.479 2315 D N 2.796 123.183 120.400 -0.021 0.000 2.256 2315 D HA 0.239 4.879 4.640 0.000 0.000 0.250 2315 D C 1.205 177.498 176.300 -0.012 0.000 1.093 2315 D CA -0.060 53.929 54.000 -0.018 0.000 0.882 2315 D CB 1.891 42.666 40.800 -0.043 0.000 1.185 2315 D HN 0.659 nan 8.370 nan 0.000 0.437 2316 T N -1.060 113.495 114.554 0.002 0.000 3.022 2316 T HA 0.060 4.410 4.350 0.000 0.000 0.250 2316 T C 0.930 175.630 174.700 -0.000 0.000 1.060 2316 T CA -0.277 61.823 62.100 -0.001 0.000 1.013 2316 T CB 0.279 69.148 68.868 0.002 0.000 0.982 2316 T HN 0.588 nan 8.240 nan 0.000 0.508 2317 R N 0.422 120.934 120.500 0.020 0.000 2.714 2317 R HA 0.312 4.652 4.340 0.000 0.000 0.214 2317 R C -0.844 175.524 176.300 0.113 0.000 1.474 2317 R CA -0.653 55.467 56.100 0.034 0.000 1.435 2317 R CB -0.318 29.971 30.300 -0.018 0.000 1.517 2317 R HN 0.084 nan 8.270 nan 0.000 0.748 2318 K N 2.878 123.302 120.400 0.040 0.000 2.338 2318 K HA 0.282 4.602 4.320 0.000 0.000 0.290 2318 K C -0.960 175.662 176.600 0.037 0.000 1.069 2318 K CA -0.104 56.184 56.287 0.001 0.000 0.941 2318 K CB 0.467 32.860 32.500 -0.178 0.000 1.023 2318 K HN 0.443 nan 8.250 nan 0.000 0.477 2319 L N 3.282 124.617 121.223 0.187 0.000 2.371 2319 L HA 0.341 4.681 4.340 0.000 0.000 0.262 2319 L C -0.430 176.576 176.870 0.227 0.000 1.006 2319 L CA -1.376 53.592 54.840 0.213 0.000 0.818 2319 L CB 2.033 44.286 42.059 0.323 0.000 1.354 2319 L HN 0.736 nan 8.230 nan 0.000 0.415 2320 D N 0.347 120.853 120.400 0.176 0.000 2.368 2320 D HA 0.149 4.789 4.640 0.000 0.000 0.240 2320 D C -2.110 174.304 176.300 0.190 0.000 1.169 2320 D CA -1.207 52.889 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 0.197 nan 8.370 nan 0.000 0.435 2321 P HA -0.215 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 1.524 64.729 63.100 0.175 0.000 0.843 2321 P CB 0.091 31.861 31.700 0.117 0.000 0.787 2322 K N -1.067 119.464 120.400 0.217 0.000 2.097 2322 K HA -0.071 4.249 4.320 0.000 0.000 0.205 2322 K C 1.736 178.461 176.600 0.209 0.000 1.050 2322 K CA 1.529 57.938 56.287 0.202 0.000 0.938 2322 K CB -0.400 32.184 32.500 0.141 0.000 0.718 2322 K HN 0.032 nan 8.250 nan 0.000 0.442 2323 T N 0.337 115.013 114.554 0.203 0.000 2.904 2323 T HA -0.140 4.210 4.350 0.000 0.000 0.267 2323 T C 1.116 175.949 174.700 0.221 0.000 1.059 2323 T CA 0.780 62.984 62.100 0.172 0.000 1.137 2323 T CB -0.203 68.747 68.868 0.136 0.000 0.879 2323 T HN 0.438 nan 8.240 nan 0.000 0.467 2324 W N 2.250 123.623 121.300 0.121 0.000 2.358 2324 W HA -0.071 4.589 4.660 0.000 0.000 0.303 2324 W C 2.447 179.089 176.519 0.206 0.000 1.208 2324 W CA 1.258 58.697 57.345 0.157 0.000 1.274 2324 W CB -0.615 28.946 29.460 0.168 0.000 1.138 2324 W HN 0.289 nan 8.180 nan 0.000 0.515 2325 A N 0.893 124.015 122.820 0.502 0.000 1.972 2325 A HA -0.066 4.254 4.320 0.000 0.000 0.219 2325 A C 2.187 179.896 177.584 0.208 0.000 1.169 2325 A CA 2.552 54.817 52.037 0.380 0.000 0.635 2325 A CB -1.217 17.979 19.000 0.326 0.000 0.810 2325 A HN 0.291 nan 8.150 nan 0.000 0.446 2326 A N -0.908 122.006 122.820 0.157 0.000 1.933 2326 A HA -0.185 4.135 4.320 0.000 0.000 0.218 2326 A C 2.089 179.707 177.584 0.056 0.000 1.175 2326 A CA 1.669 53.761 52.037 0.092 0.000 0.628 2326 A CB -0.432 18.613 19.000 0.076 0.000 0.814 2326 A HN 0.499 nan 8.150 nan 0.000 0.444 2327 Q N -0.493 119.319 119.800 0.019 0.000 2.124 2327 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 2327 Q C 2.112 178.131 176.000 0.032 0.000 0.977 2327 Q CA 1.985 57.770 55.803 -0.031 0.000 0.850 2327 Q CB -1.224 27.410 28.738 -0.174 0.000 0.901 2327 Q HN 0.636 nan 8.270 nan 0.000 0.429 2328 T N 1.087 115.699 114.554 0.096 0.000 2.821 2328 T HA -0.060 4.290 4.350 0.000 0.000 0.267 2328 T C 1.804 176.568 174.700 0.106 0.000 1.046 2328 T CA 0.751 62.978 62.100 0.212 0.000 1.139 2328 T CB -0.039 69.049 68.868 0.367 0.000 0.871 2328 T HN 0.261 nan 8.240 nan 0.000 0.454 2329 R N 0.721 121.263 120.500 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 -0.068 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 0.172 120.689 120.500 0.028 0.000 2.189 2330 R HA 0.014 4.354 4.340 0.000 0.000 0.218 2330 R C 1.851 178.167 176.300 0.028 0.000 1.074 2330 R CA 0.740 56.853 56.100 0.022 0.000 0.991 2330 R CB 0.022 30.336 30.300 0.023 0.000 0.883 2330 R HN 0.169 nan 8.270 nan 0.000 0.457 2331 R N 0.411 120.940 120.500 0.049 0.000 2.146 2331 R HA 0.158 4.498 4.340 0.000 0.000 0.206 2331 R C 2.028 178.317 176.300 -0.018 0.000 1.049 2331 R CA 0.771 56.908 56.100 0.062 0.000 1.029 2331 R CB 0.054 30.468 30.300 0.191 0.000 0.949 2331 R HN 0.314 nan 8.270 nan 0.000 0.471 2332 I N -3.974 116.546 120.570 -0.084 0.000 4.147 2332 I HA 0.478 4.648 4.170 0.000 0.000 0.329 2332 I C 0.501 176.528 176.117 -0.149 0.000 1.424 2332 I CA 0.104 61.301 61.300 -0.172 0.000 1.127 2332 I CB 0.880 38.648 38.000 -0.386 0.000 1.128 2332 I HN -0.042 nan 8.210 nan 0.000 0.417 2333 A N 0.300 123.065 122.820 -0.092 0.000 2.861 2333 A HA -0.213 4.107 4.320 0.000 0.000 0.261 2333 A C 0.638 178.175 177.584 -0.078 0.000 1.351 2333 A CA 1.672 53.667 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 0.805 nan 8.150 nan 0.000 0.729 2334 T N -1.853 112.637 114.554 -0.108 0.000 2.654 2334 T HA 0.497 4.847 4.350 0.000 0.000 0.303 2334 T C -2.119 172.505 174.700 -0.127 0.000 1.656 2334 T CA 0.138 62.178 62.100 -0.100 0.000 0.971 2334 T CB 0.942 69.742 68.868 -0.114 0.000 1.811 2334 T HN 0.284 nan 8.240 nan 0.000 0.483 2335 D N 0.567 120.910 120.400 -0.094 0.000 2.217 2335 D HA 0.516 5.156 4.640 0.000 0.000 0.248 2335 D C -0.277 175.934 176.300 -0.148 0.000 1.008 2335 D CA -0.120 53.844 54.000 -0.060 0.000 0.914 2335 D CB 0.801 41.615 40.800 0.024 0.000 1.182 2335 D HN 0.334 nan 8.370 nan 0.000 0.451 2336 F N 0.592 120.477 119.950 -0.108 0.000 2.399 2336 F HA 0.220 4.747 4.527 0.000 0.000 0.313 2336 F C -1.340 174.356 175.800 -0.174 0.000 1.202 2336 F CA -1.265 56.594 58.000 -0.236 0.000 1.192 2336 F CB 0.076 38.831 39.000 -0.409 0.000 1.256 2336 F HN 0.070 nan 8.300 nan 0.000 0.558 2337 P HA -0.008 nan 4.420 nan 0.000 0.270 2337 P C -1.171 176.161 177.300 0.054 0.000 1.227 2337 P CA -0.268 62.895 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 1.130 121.572 120.400 0.069 0.000 2.530 2338 K HA 0.111 4.431 4.320 0.000 0.000 0.280 2338 K C 1.288 177.951 176.600 0.105 0.000 1.004 2338 K CA 1.283 57.612 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 1.186 109.999 108.800 0.022 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 0.014 174.863 174.900 -0.085 0.000 0.975 2339 G CA 0.076 45.246 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 2.347 2340 V HA 0.649 4.769 4.120 0.000 0.000 0.280 2340 V C -0.292 175.439 176.094 -0.605 0.000 1.021 2340 V CA -0.815 61.274 62.300 -0.352 0.000 0.847 2340 V CB 0.823 32.412 31.823 -0.389 0.000 0.990 2340 V HN 0.252 nan 8.190 nan 0.000 0.444 2341 Y N 4.141 124.475 120.300 0.057 0.000 2.393 2341 Y HA 0.622 5.172 4.550 0.000 0.000 0.341 2341 Y C -0.507 175.569 175.900 0.293 0.000 0.988 2341 Y CA -0.802 57.437 58.100 0.231 0.000 1.078 2341 Y CB 1.825 40.346 38.460 0.101 0.000 1.203 2341 Y HN 0.631 nan 8.280 nan 0.000 0.453 2342 Y N 2.187 122.789 120.300 0.503 0.000 2.468 2342 Y HA 0.671 5.221 4.550 0.000 0.000 0.342 2342 Y C -1.190 175.007 175.900 0.494 0.000 1.021 2342 Y CA -1.828 56.463 58.100 0.319 0.000 1.079 2342 Y CB 1.711 40.285 38.460 0.190 0.000 1.226 2342 Y HN 0.802 nan 8.280 nan 0.000 0.460 2343 C N 6.631 125.670 119.300 -0.434 0.000 2.432 2343 C HA 0.366 4.826 4.460 0.000 0.000 0.334 2343 C C -1.317 173.293 174.990 -0.634 0.000 1.155 2343 C CA -0.709 58.120 59.018 -0.315 0.000 1.335 2343 C CB -0.016 27.918 27.740 0.323 0.000 1.964 2343 C HN 0.885 nan 8.230 nan 0.000 0.444 2344 D N 3.996 124.102 120.400 -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 0.276 54.156 54.000 -0.200 0.000 0.848 2344 D CB 0.752 41.567 40.800 0.025 0.000 1.107 2344 D HN 0.710 nan 8.370 nan 0.000 0.471 2345 N N 3.517 122.224 118.700 0.012 0.000 2.451 2345 N HA 0.100 4.840 4.740 0.000 0.000 0.271 2345 N C 1.094 176.627 175.510 0.039 0.000 1.410 2345 N CA -0.171 52.896 53.050 0.029 0.000 0.884 2345 N CB 0.724 39.238 38.487 0.044 0.000 1.332 2345 N HN 0.358 nan 8.380 nan 0.000 0.498 2346 R N 0.479 121.011 120.500 0.053 0.000 2.081 2346 R HA -0.045 4.295 4.340 0.000 0.000 0.235 2346 R C 0.740 177.048 176.300 0.012 0.000 1.131 2346 R CA 1.161 57.286 56.100 0.042 0.000 0.960 2346 R CB 0.104 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 0.418 120.832 120.400 0.023 0.000 2.194 2347 D HA -0.041 4.599 4.640 0.000 0.000 0.204 2347 D C 0.208 176.512 176.300 0.006 0.000 0.964 2347 D CA 1.242 55.250 54.000 0.014 0.000 0.846 2347 D CB 0.225 41.036 40.800 0.018 0.000 0.962 2347 D HN 0.118 nan 8.370 nan 0.000 0.490 2348 K N 0.905 121.311 120.400 0.009 0.000 2.753 2348 K HA 0.293 4.613 4.320 0.000 0.000 0.185 2348 K C -2.738 173.874 176.600 0.020 0.000 1.071 2348 K CA -1.467 54.827 56.287 0.012 0.000 0.999 2348 K CB 2.324 34.831 32.500 0.012 0.000 1.244 2348 K HN -0.107 nan 8.250 nan 0.000 0.594 2349 P HA -0.039 nan 4.420 nan 0.000 0.265 2349 P C -0.117 177.234 177.300 0.084 0.000 1.187 2349 P CA -0.186 62.944 63.100 0.049 0.000 0.766 2349 P CB 0.453 32.170 31.700 0.029 0.000 0.820 2350 I N 3.636 124.255 120.570 0.081 0.000 2.587 2350 I HA 0.007 4.178 4.170 0.000 0.000 0.284 2350 I C -0.039 176.221 176.117 0.240 0.000 1.134 2350 I CA 0.257 61.564 61.300 0.012 0.000 1.410 2350 I CB -1.202 36.569 38.000 -0.382 0.000 1.392 2350 I HN 0.402 nan 8.210 nan 0.000 0.545 2351 Y N 5.793 126.115 120.300 0.036 0.000 2.315 2351 Y HA 0.162 4.712 4.550 0.000 0.000 0.324 2351 Y C 1.285 177.209 175.900 0.041 0.000 1.062 2351 Y CA -1.050 57.094 58.100 0.074 0.000 1.159 2351 Y CB 1.582 40.078 38.460 0.060 0.000 1.145 2351 Y HN 0.725 nan 8.280 nan 0.000 0.442 2352 T N 0.748 115.220 114.554 -0.136 0.000 2.881 2352 T HA -0.180 4.170 4.350 0.000 0.000 0.270 2352 T C 2.035 176.581 174.700 -0.255 0.000 1.068 2352 T CA 1.790 63.795 62.100 -0.158 0.000 1.131 2352 T CB -0.705 68.096 68.868 -0.112 0.000 0.871 2352 T HN 0.549 nan 8.240 nan 0.000 0.479 2353 L N 0.656 121.547 121.223 -0.554 0.000 2.056 2353 L HA 0.353 4.693 4.340 0.000 0.000 0.207 2353 L C 3.038 179.814 176.870 -0.157 0.000 1.078 2353 L CA 2.389 56.981 54.840 -0.412 0.000 0.749 2353 L CB -2.199 39.482 42.059 -0.630 0.000 0.901 2353 L HN 0.726 nan 8.230 nan 0.000 0.433 2354 Q N -2.413 117.361 119.800 -0.044 0.000 2.360 2354 Q HA 0.369 4.709 4.340 0.000 0.000 0.202 2354 Q C 1.437 177.463 176.000 0.043 0.000 0.915 2354 Q CA 1.536 57.389 55.803 0.082 0.000 0.943 2354 Q CB -0.958 27.912 28.738 0.221 0.000 1.064 2354 Q HN 1.856 nan 8.270 nan 0.000 0.511 2355 Y N -3.214 117.089 120.300 0.004 0.000 2.795 2355 Y HA 0.546 5.096 4.550 0.000 0.000 0.274 2355 Y C 1.274 177.164 175.900 -0.016 0.000 1.035 2355 Y CA 0.237 58.339 58.100 0.002 0.000 1.252 2355 Y CB -0.061 38.407 38.460 0.013 0.000 1.399 2355 Y HN 1.235 nan 8.280 nan 0.000 0.579 2356 G N 0.897 109.674 108.800 -0.038 0.000 2.796 2356 G HA2 -0.167 3.793 3.960 0.000 0.000 0.571 2356 G HA3 -0.167 3.793 3.960 0.000 0.000 0.571 2356 G C -0.509 174.370 174.900 -0.035 0.000 1.370 2356 G CA -0.380 44.696 45.100 -0.040 0.000 0.856 2356 G HN 0.941 nan 8.290 nan 0.000 0.538 2357 N N -0.990 117.693 118.700 -0.028 0.000 2.454 2357 N HA 0.332 5.072 4.740 0.000 0.000 0.254 2357 N C 0.001 175.520 175.510 0.015 0.000 1.228 2357 N CA 0.395 53.439 53.050 -0.011 0.000 0.900 2357 N CB 0.803 39.280 38.487 -0.017 0.000 1.089 2357 N HN 0.519 nan 8.380 nan 0.000 0.449 2358 V N 0.142 120.092 119.914 0.060 0.000 2.962 2358 V HA 0.754 4.874 4.120 0.000 0.000 0.313 2358 V C 0.393 176.646 176.094 0.265 0.000 1.099 2358 V CA -0.817 61.549 62.300 0.111 0.000 0.971 2358 V CB 2.087 33.927 31.823 0.029 0.000 1.028 2358 V HN 0.811 nan 8.190 nan 0.000 0.430 2359 G N 0.682 109.636 108.800 0.256 0.000 2.660 2359 G HA2 0.672 4.632 3.960 0.000 0.000 0.294 2359 G HA3 0.672 4.632 3.960 0.000 0.000 0.294 2359 G C -2.051 173.012 174.900 0.273 0.000 1.369 2359 G CA -0.607 44.617 45.100 0.206 0.000 0.912 2359 G HN 0.489 nan 8.290 nan 0.000 0.479 2360 F N 1.697 121.648 119.950 0.002 0.000 2.408 2360 F HA 0.652 5.179 4.527 0.000 0.000 0.344 2360 F C -0.226 175.556 175.800 -0.031 0.000 1.112 2360 F CA -0.499 57.534 58.000 0.055 0.000 1.096 2360 F CB 1.752 40.730 39.000 -0.038 0.000 1.129 2360 F HN 0.283 nan 8.300 nan 0.000 0.486 2361 V N 6.485 126.127 119.914 -0.454 0.000 2.555 2361 V HA 0.585 4.705 4.120 0.000 0.000 0.302 2361 V C -0.820 175.061 176.094 -0.354 0.000 1.038 2361 V CA -0.873 61.269 62.300 -0.264 0.000 0.887 2361 V CB 1.586 33.325 31.823 -0.140 0.000 0.991 2361 V HN 0.568 nan 8.190 nan 0.000 0.434 2362 V N 3.854 123.656 119.914 -0.186 0.000 2.525 2362 V HA 0.469 4.589 4.120 0.000 0.000 0.299 2362 V C -0.373 175.514 176.094 -0.345 0.000 1.034 2362 V CA -0.627 61.487 62.300 -0.311 0.000 0.863 2362 V CB 2.024 33.670 31.823 -0.294 0.000 0.999 2362 V HN 0.897 nan 8.190 nan 0.000 0.423 2363 N N 6.801 125.155 118.700 -0.577 0.000 2.558 2363 N HA 0.370 5.110 4.740 0.000 0.000 0.242 2363 N C -2.758 172.461 175.510 -0.486 0.000 0.979 2363 N CA -1.624 51.066 53.050 -0.601 0.000 0.931 2363 N CB 2.527 40.340 38.487 -1.122 0.000 1.122 2363 N HN 0.342 nan 8.380 nan 0.000 0.508 2364 P HA 0.129 nan 4.420 nan 0.000 0.275 2364 P C 0.174 177.401 177.300 -0.121 0.000 1.228 2364 P CA -0.153 62.809 63.100 -0.230 0.000 0.786 2364 P CB 2.069 33.628 31.700 -0.234 0.000 0.927 2365 K N 1.410 121.784 120.400 -0.044 0.000 2.168 2365 K HA 0.088 4.408 4.320 0.000 0.000 0.201 2365 K C 0.035 176.634 176.600 -0.002 0.000 1.049 2365 K CA 0.933 57.204 56.287 -0.026 0.000 0.974 2365 K CB 0.288 32.783 32.500 -0.008 0.000 0.792 2365 K HN 0.426 nan 8.250 nan 0.000 0.463 2366 T N 0.806 115.379 114.554 0.032 0.000 2.886 2366 T HA 0.435 4.785 4.350 0.000 0.000 0.292 2366 T C -1.457 173.274 174.700 0.051 0.000 1.012 2366 T CA -0.700 61.409 62.100 0.015 0.000 0.982 2366 T CB 2.300 71.159 68.868 -0.014 0.000 1.018 2366 T HN -0.175 nan 8.240 nan 0.000 0.451 2367 V N 4.314 124.236 119.914 0.015 0.000 2.447 2367 V HA 0.403 4.523 4.120 0.000 0.000 0.292 2367 V C -0.267 175.802 176.094 -0.041 0.000 1.021 2367 V CA -1.132 61.183 62.300 0.025 0.000 0.850 2367 V CB 1.470 33.304 31.823 0.017 0.000 1.005 2367 V HN 0.770 nan 8.190 nan 0.000 0.426 2368 N N 2.586 121.229 118.700 -0.094 0.000 2.379 2368 N HA 0.291 5.031 4.740 0.000 0.000 0.260 2368 N C 0.040 175.501 175.510 -0.082 0.000 1.254 2368 N CA -0.604 52.385 53.050 -0.103 0.000 0.958 2368 N CB 0.533 38.927 38.487 -0.155 0.000 1.208 2368 N HN 0.542 nan 8.380 nan 0.000 0.532 2369 Q N 1.142 120.900 119.800 -0.070 0.000 2.364 2369 Q HA 0.063 4.403 4.340 0.000 0.000 0.267 2369 Q C -0.008 175.955 176.000 -0.062 0.000 0.999 2369 Q CA 0.343 56.114 55.803 -0.053 0.000 0.886 2369 Q CB 0.134 28.847 28.738 -0.042 0.000 1.243 2369 Q HN 0.482 nan 8.270 nan 0.000 0.415 2370 N N -1.298 117.375 118.700 -0.046 0.000 2.776 2370 N HA -0.182 4.558 4.740 0.000 0.000 0.249 2370 N C -0.712 174.763 175.510 -0.059 0.000 1.111 2370 N CA 0.989 54.014 53.050 -0.042 0.000 0.711 2370 N CB -1.289 37.175 38.487 -0.037 0.000 1.065 2370 N HN 0.671 nan 8.380 nan 0.000 0.556 2371 A N 0.813 123.597 122.820 -0.061 0.000 2.371 2371 A HA 0.660 4.980 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 0.131 52.142 52.037 -0.043 0.000 0.794 2371 A CB 0.654 19.667 19.000 0.023 0.000 1.029 2371 A HN 0.471 nan 8.150 nan 0.000 0.488 2372 R N 0.805 121.320 120.500 0.024 0.000 2.712 2372 R HA 0.616 4.956 4.340 0.000 0.000 0.272 2372 R C -2.117 174.221 176.300 0.064 0.000 1.032 2372 R CA -0.926 55.171 56.100 -0.005 0.000 0.874 2372 R CB 0.921 31.240 30.300 0.032 0.000 1.256 2372 R HN 0.469 nan 8.270 nan 0.000 0.468 2373 L N 2.605 123.847 121.223 0.032 0.000 2.296 2373 L HA 0.487 4.827 4.340 0.000 0.000 0.286 2373 L C -0.762 176.188 176.870 0.134 0.000 1.023 2373 L CA -1.052 53.841 54.840 0.089 0.000 0.812 2373 L CB 1.674 43.790 42.059 0.095 0.000 1.223 2373 L HN 0.461 nan 8.230 nan 0.000 0.421 2374 L N 4.860 126.178 121.223 0.159 0.000 2.265 2374 L HA 0.459 4.799 4.340 0.000 0.000 0.289 2374 L C -0.202 176.748 176.870 0.133 0.000 1.033 2374 L CA -0.316 54.650 54.840 0.211 0.000 0.814 2374 L CB 1.306 43.569 42.059 0.340 0.000 1.203 2374 L HN 0.479 nan 8.230 nan 0.000 0.423 2375 M N 2.565 122.165 119.600 -0.001 0.000 2.363 2375 M HA 0.518 4.998 4.480 0.000 0.000 0.343 2375 M C 0.268 176.284 176.300 -0.473 0.000 1.165 2375 M CA -0.377 54.739 55.300 -0.308 0.000 1.046 2375 M CB 1.583 33.924 32.600 -0.432 0.000 1.648 2375 M HN 0.581 nan 8.290 nan 0.000 0.452 2376 G N 2.880 111.252 108.800 -0.713 0.000 2.609 2376 G HA2 0.696 4.656 3.960 0.000 0.000 0.308 2376 G HA3 0.696 4.656 3.960 0.000 0.000 0.308 2376 G C -1.889 172.604 174.900 -0.678 0.000 1.369 2376 G CA -0.239 44.223 45.100 -1.063 0.000 0.958 2376 G HN 0.594 nan 8.290 nan 0.000 0.499 2377 Y N 0.157 120.484 120.300 0.046 0.000 2.499 2377 Y HA 0.580 5.130 4.550 0.000 0.000 0.347 2377 Y C 0.239 176.390 175.900 0.419 0.000 0.987 2377 Y CA -0.942 57.382 58.100 0.373 0.000 1.044 2377 Y CB 2.850 41.651 38.460 0.568 0.000 1.245 2377 Y HN 0.503 nan 8.280 nan 0.000 0.461 2378 E N 2.582 123.115 120.200 0.555 0.000 2.199 2378 E HA 0.453 4.803 4.350 0.000 0.000 0.265 2378 E C -1.858 174.908 176.600 0.277 0.000 0.882 2378 E CA -0.691 55.877 56.400 0.280 0.000 0.759 2378 E CB 1.316 31.203 29.700 0.312 0.000 1.148 2378 E HN 0.570 nan 8.360 nan 0.000 0.412 2379 Y N 1.663 121.974 120.300 0.017 0.000 2.638 2379 Y HA 0.562 5.112 4.550 0.000 0.000 0.335 2379 Y C -1.902 173.964 175.900 -0.057 0.000 1.155 2379 Y CA -1.479 56.529 58.100 -0.153 0.000 1.046 2379 Y CB 0.998 39.206 38.460 -0.420 0.000 1.303 2379 Y HN 0.301 nan 8.280 nan 0.000 0.460 2380 F N 0.852 120.912 119.950 0.182 0.000 2.480 2380 F HA 0.710 5.237 4.527 0.000 0.000 0.329 2380 F C 0.190 176.061 175.800 0.119 0.000 1.091 2380 F CA -0.916 57.142 58.000 0.096 0.000 0.972 2380 F CB 2.531 41.530 39.000 -0.001 0.000 1.150 2380 F HN 0.737 nan 8.300 nan 0.000 0.467 2381 T N 1.116 115.834 114.554 0.273 0.000 2.885 2381 T HA 0.277 4.627 4.350 0.000 0.000 0.322 2381 T C -1.126 173.638 174.700 0.108 0.000 1.387 2381 T CA -0.565 61.649 62.100 0.189 0.000 1.041 2381 T CB 1.479 70.437 68.868 0.151 0.000 1.287 2381 T HN 0.480 nan 8.240 nan 0.000 0.491 2382 S N 2.320 118.083 115.700 0.105 0.000 2.548 2382 S HA 0.250 4.720 4.470 0.000 0.000 0.277 2382 S C 1.502 176.135 174.600 0.055 0.000 1.315 2382 S CA -0.596 57.640 58.200 0.059 0.000 1.050 2382 S CB 1.046 64.282 63.200 0.061 0.000 0.918 2382 S HN 0.660 nan 8.310 nan 0.000 0.497 2383 R N 1.438 121.956 120.500 0.029 0.000 2.083 2383 R HA -0.092 4.248 4.340 0.000 0.000 0.237 2383 R C 1.452 177.777 176.300 0.042 0.000 1.137 2383 R CA 1.664 57.779 56.100 0.026 0.000 0.951 2383 R CB -0.715 29.600 30.300 0.026 0.000 0.851 2383 R HN 0.826 nan 8.270 nan 0.000 0.434 2384 T N 0.000 114.579 114.554 0.041 0.000 3.816 2384 T HA 0.000 4.350 4.350 0.000 0.000 0.228 2384 T CA 0.000 62.125 62.100 0.041 0.000 1.349 2384 T CB 0.000 68.888 68.868 0.033 0.000 0.612 2384 T HN 0.000 nan 8.240 nan 0.000 0.658