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 2og4_1_A DATA FIRST_RESID 2148 DATA SEQUENCE SKNEWRKSAI ANTLLYLRLK NIYVSADDFV EEQNVYVLPK NLLKKFIEIS DATA SEQUENCE DVKIQVAAFI YGMSAKDHPK VKEIKTVVLV PQLGHVGSVQ ISNIPDIGDL DATA SEQUENCE PDTEGLELLG WIHTQTEELK FMAASEVATH SKLFADKKRD CIDISIFSTP DATA SEQUENCE GSVSLSAYNL TDEGYQWGEE NKDIMNVLSE GFEPTFSTHA QLLLSDRITG DATA SEQUENCE NFIIPSGNVW NYTFMGTAFN QEGDYNFKYG IPLEFYNEMH RPVHFLQFS 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 2148 S HA 0.000 nan 4.470 nan 0.000 0.327 2148 S C 0.000 174.615 174.600 0.025 0.000 1.055 2148 S CA 0.000 58.214 58.200 0.023 0.000 1.107 2148 S CB 0.000 63.221 63.200 0.035 0.000 0.593 2149 K N 2.636 123.031 120.400 -0.008 0.000 2.057 2149 K HA -0.100 4.223 4.320 0.004 0.000 0.207 2149 K C 1.708 178.336 176.600 0.047 0.000 1.049 2149 K CA 1.697 57.979 56.287 -0.008 0.000 0.931 2149 K CB -0.235 32.239 32.500 -0.042 0.000 0.714 2149 K HN 0.567 nan 8.250 nan 0.000 0.440 2150 N N 0.692 119.406 118.700 0.023 0.000 2.142 2150 N HA -0.144 4.599 4.740 0.004 0.000 0.186 2150 N C 1.571 177.085 175.510 0.007 0.000 1.023 2150 N CA 1.112 54.171 53.050 0.014 0.000 0.852 2150 N CB 0.179 38.667 38.487 0.003 0.000 0.998 2150 N HN 0.099 nan 8.380 nan 0.000 0.424 2151 E N -0.203 120.007 120.200 0.017 0.000 2.106 2151 E HA -0.196 4.157 4.350 0.004 0.000 0.192 2151 E C 1.664 178.222 176.600 -0.069 0.000 0.984 2151 E CA 0.485 56.879 56.400 -0.010 0.000 0.806 2151 E CB -0.554 29.162 29.700 0.027 0.000 0.750 2151 E HN 0.569 nan 8.360 nan 0.000 0.458 2152 W N 2.420 123.591 121.300 -0.213 0.000 2.335 2152 W HA -0.207 4.455 4.660 0.005 0.000 0.311 2152 W C 2.168 178.470 176.519 -0.362 0.000 1.213 2152 W CA 1.671 58.822 57.345 -0.325 0.000 1.274 2152 W CB -0.333 28.990 29.460 -0.229 0.000 1.148 2152 W HN 0.054 nan 8.180 nan 0.000 0.498 2153 R N 0.834 121.338 120.500 0.007 0.000 2.073 2153 R HA -0.168 4.175 4.340 0.004 0.000 0.234 2153 R C 2.449 178.640 176.300 -0.183 0.000 1.134 2153 R CA 1.897 57.961 56.100 -0.060 0.000 0.952 2153 R CB -0.376 29.936 30.300 0.020 0.000 0.850 2153 R HN 0.071 nan 8.270 nan 0.000 0.433 2154 K N -0.288 120.015 120.400 -0.163 0.000 2.097 2154 K HA -0.074 4.249 4.320 0.004 0.000 0.206 2154 K C 2.133 178.582 176.600 -0.251 0.000 1.049 2154 K CA 1.821 58.012 56.287 -0.161 0.000 0.933 2154 K CB -0.016 32.421 32.500 -0.106 0.000 0.717 2154 K HN 0.109 nan 8.250 nan 0.000 0.442 2155 S N 0.791 116.233 115.700 -0.430 0.000 2.387 2155 S HA -0.085 4.388 4.470 0.004 0.000 0.226 2155 S C 2.108 176.298 174.600 -0.683 0.000 1.026 2155 S CA 1.024 58.874 58.200 -0.583 0.000 0.972 2155 S CB -0.115 62.563 63.200 -0.869 0.000 0.814 2155 S HN 0.415 nan 8.310 nan 0.000 0.477 2156 A N 1.625 123.931 122.820 -0.858 0.000 1.902 2156 A HA -0.048 4.275 4.320 0.004 0.000 0.217 2156 A C 2.045 179.522 177.584 -0.179 0.000 1.181 2156 A CA 1.199 52.968 52.037 -0.447 0.000 0.623 2156 A CB -0.725 18.038 19.000 -0.395 0.000 0.818 2156 A HN 0.474 nan 8.150 nan 0.000 0.443 2157 I N -0.107 120.361 120.570 -0.170 0.000 2.226 2157 I HA -0.287 3.886 4.170 0.004 0.000 0.245 2157 I C 2.934 179.013 176.117 -0.062 0.000 1.100 2157 I CA 1.054 62.303 61.300 -0.085 0.000 1.374 2157 I CB -0.325 37.632 38.000 -0.073 0.000 1.057 2157 I HN 0.344 nan 8.210 nan 0.000 0.413 2158 A N 0.894 123.659 122.820 -0.091 0.000 1.978 2158 A HA -0.219 4.103 4.320 0.004 0.000 0.220 2158 A C 1.966 179.530 177.584 -0.033 0.000 1.170 2158 A CA 1.988 53.987 52.037 -0.063 0.000 0.636 2158 A CB -0.630 18.323 19.000 -0.078 0.000 0.810 2158 A HN 0.433 nan 8.150 nan 0.000 0.448 2159 N N -0.260 118.430 118.700 -0.016 0.000 2.457 2159 N HA -0.079 4.663 4.740 0.004 0.000 0.180 2159 N C 1.698 177.242 175.510 0.056 0.000 1.050 2159 N CA 1.578 54.643 53.050 0.025 0.000 0.906 2159 N CB -0.603 37.931 38.487 0.080 0.000 0.968 2159 N HN 0.711 nan 8.380 nan 0.000 0.445 2160 T N -1.704 112.883 114.554 0.055 0.000 3.051 2160 T HA 0.023 4.375 4.350 0.004 0.000 0.269 2160 T C 1.498 176.323 174.700 0.209 0.000 1.127 2160 T CA 0.617 62.778 62.100 0.102 0.000 1.107 2160 T CB -0.170 68.736 68.868 0.064 0.000 0.898 2160 T HN 0.137 nan 8.240 nan 0.000 0.517 2161 L N -0.182 121.114 121.223 0.122 0.000 2.640 2161 L HA 0.390 4.733 4.340 0.004 0.000 0.230 2161 L C 2.012 178.836 176.870 -0.078 0.000 1.123 2161 L CA -0.042 54.825 54.840 0.044 0.000 0.900 2161 L CB -0.228 41.803 42.059 -0.047 0.000 1.146 2161 L HN 0.257 nan 8.230 nan 0.000 0.484 2162 L N -0.224 121.022 121.223 0.039 0.000 2.191 2162 L HA -0.247 4.096 4.340 0.004 0.000 0.212 2162 L C 2.615 179.485 176.870 0.001 0.000 1.103 2162 L CA 1.491 56.328 54.840 -0.006 0.000 0.769 2162 L CB -0.472 41.598 42.059 0.018 0.000 0.908 2162 L HN 0.420 nan 8.230 nan 0.000 0.438 2163 Y N -1.499 118.793 120.300 -0.012 0.000 2.333 2163 Y HA -0.164 4.389 4.550 0.004 0.000 0.290 2163 Y C 2.068 177.963 175.900 -0.008 0.000 1.144 2163 Y CA 0.773 58.870 58.100 -0.004 0.000 1.228 2163 Y CB -0.819 37.643 38.460 0.003 0.000 0.985 2163 Y HN 0.013 nan 8.280 nan 0.000 0.542 2164 L N 0.471 121.258 121.223 -0.727 0.000 2.275 2164 L HA -0.088 4.255 4.340 0.004 0.000 0.215 2164 L C 2.444 179.177 176.870 -0.228 0.000 1.119 2164 L CA 1.066 55.585 54.840 -0.534 0.000 0.790 2164 L CB -0.431 41.284 42.059 -0.573 0.000 0.919 2164 L HN 0.206 nan 8.230 nan 0.000 0.443 2165 R N -0.011 120.389 120.500 -0.165 0.000 2.189 2165 R HA -0.051 4.292 4.340 0.004 0.000 0.218 2165 R C 1.939 178.204 176.300 -0.059 0.000 1.074 2165 R CA 0.766 56.807 56.100 -0.099 0.000 0.991 2165 R CB -0.220 30.023 30.300 -0.094 0.000 0.883 2165 R HN 0.344 nan 8.270 nan 0.000 0.457 2166 L N 0.538 121.737 121.223 -0.040 0.000 2.551 2166 L HA -0.052 4.290 4.340 0.004 0.000 0.228 2166 L C 1.747 178.600 176.870 -0.029 0.000 1.153 2166 L CA 0.938 55.771 54.840 -0.011 0.000 0.851 2166 L CB -0.129 41.951 42.059 0.035 0.000 0.959 2166 L HN 0.041 nan 8.230 nan 0.000 0.451 2167 K N 0.096 120.467 120.400 -0.049 0.000 2.366 2167 K HA 0.050 4.372 4.320 0.004 0.000 0.198 2167 K C 0.058 176.611 176.600 -0.077 0.000 1.044 2167 K CA 0.506 56.761 56.287 -0.053 0.000 0.973 2167 K CB 0.144 32.610 32.500 -0.056 0.000 0.767 2167 K HN 0.294 nan 8.250 nan 0.000 0.475 2168 N N 1.142 119.788 118.700 -0.089 0.000 2.664 2168 N HA 0.244 4.986 4.740 0.004 0.000 0.257 2168 N C -1.197 174.191 175.510 -0.204 0.000 1.108 2168 N CA -0.198 52.758 53.050 -0.157 0.000 0.822 2168 N CB 1.443 39.906 38.487 -0.040 0.000 1.199 2168 N HN -0.026 nan 8.380 nan 0.000 0.529 2169 I N 2.176 122.567 120.570 -0.299 0.000 2.354 2169 I HA 0.341 4.514 4.170 0.004 0.000 0.292 2169 I C -0.807 175.095 176.117 -0.357 0.000 0.989 2169 I CA -0.720 60.460 61.300 -0.200 0.000 1.188 2169 I CB 0.708 38.647 38.000 -0.101 0.000 1.342 2169 I HN 0.209 nan 8.210 nan 0.000 0.457 2170 Y N 5.143 125.447 120.300 0.006 0.000 2.335 2170 Y HA 0.552 5.104 4.550 0.004 0.000 0.338 2170 Y C -0.155 175.751 175.900 0.010 0.000 0.977 2170 Y CA -0.955 57.153 58.100 0.013 0.000 1.114 2170 Y CB 1.803 40.279 38.460 0.027 0.000 1.182 2170 Y HN 0.161 nan 8.280 nan 0.000 0.463 2171 V N 2.370 122.363 119.914 0.131 0.000 2.448 2171 V HA 0.310 4.433 4.120 0.004 0.000 0.295 2171 V C 0.144 176.288 176.094 0.084 0.000 1.025 2171 V CA -1.076 61.269 62.300 0.076 0.000 0.859 2171 V CB 1.722 33.565 31.823 0.033 0.000 0.988 2171 V HN 0.842 nan 8.190 nan 0.000 0.431 2172 S N 3.335 119.073 115.700 0.063 0.000 2.552 2172 S HA 0.515 4.988 4.470 0.004 0.000 0.289 2172 S C 0.053 174.731 174.600 0.130 0.000 1.304 2172 S CA 0.358 58.610 58.200 0.086 0.000 1.063 2172 S CB 0.294 63.533 63.200 0.065 0.000 0.848 2172 S HN 1.404 nan 8.310 nan 0.000 0.499 2173 A N 3.641 126.530 122.820 0.115 0.000 2.486 2173 A HA 0.700 5.023 4.320 0.004 0.000 0.300 2173 A C -1.027 176.549 177.584 -0.013 0.000 1.048 2173 A CA -0.695 51.400 52.037 0.096 0.000 0.696 2173 A CB 1.789 20.826 19.000 0.063 0.000 1.278 2173 A HN 0.789 nan 8.150 nan 0.000 0.405 2174 D N -0.006 120.362 120.400 -0.054 0.000 2.626 2174 D HA 0.341 4.984 4.640 0.004 0.000 0.278 2174 D C -1.214 175.069 176.300 -0.029 0.000 1.211 2174 D CA -0.279 53.616 54.000 -0.175 0.000 0.903 2174 D CB 1.594 42.038 40.800 -0.594 0.000 1.408 2174 D HN 0.471 nan 8.370 nan 0.000 0.454 2175 D N 0.762 121.145 120.400 -0.028 0.000 2.488 2175 D HA -0.004 4.639 4.640 0.004 0.000 0.238 2175 D C 0.124 176.484 176.300 0.099 0.000 1.138 2175 D CA 0.389 54.415 54.000 0.043 0.000 0.873 2175 D CB 0.177 40.988 40.800 0.018 0.000 1.183 2175 D HN 0.178 nan 8.370 nan 0.000 0.458 2176 F N 2.300 122.249 119.950 -0.002 0.000 2.572 2176 F HA 0.067 4.598 4.527 0.007 0.000 0.370 2176 F C -0.146 175.661 175.800 0.012 0.000 1.103 2176 F CA -0.159 57.845 58.000 0.007 0.000 1.286 2176 F CB 0.529 39.524 39.000 -0.008 0.000 1.105 2176 F HN -0.010 nan 8.300 nan 0.000 0.583 2177 V N 7.530 126.976 119.914 -0.780 0.000 2.376 2177 V HA 0.126 4.248 4.120 0.004 0.000 0.287 2177 V C 0.545 176.027 176.094 -1.020 0.000 1.015 2177 V CA -0.452 61.478 62.300 -0.617 0.000 0.834 2177 V CB 1.208 32.864 31.823 -0.278 0.000 1.001 2177 V HN 0.841 nan 8.190 nan 0.000 0.428 2178 E N 2.407 122.153 120.200 -0.757 0.000 2.347 2178 E HA -0.190 4.162 4.350 0.004 0.000 0.196 2178 E C 0.926 177.412 176.600 -0.190 0.000 1.008 2178 E CA 1.019 57.145 56.400 -0.456 0.000 0.852 2178 E CB 0.279 30.000 29.700 0.034 0.000 0.783 2178 E HN 0.732 nan 8.360 nan 0.000 0.505 2179 E N 0.845 120.941 120.200 -0.173 0.000 2.358 2179 E HA 0.020 4.372 4.350 0.004 0.000 0.195 2179 E C 0.218 176.774 176.600 -0.073 0.000 1.010 2179 E CA 0.498 56.851 56.400 -0.078 0.000 0.856 2179 E CB 0.182 29.849 29.700 -0.055 0.000 0.795 2179 E HN 0.336 nan 8.360 nan 0.000 0.504 2180 Q N 0.902 120.619 119.800 -0.137 0.000 2.230 2180 Q HA 0.218 4.561 4.340 0.004 0.000 0.253 2180 Q C -0.420 175.531 176.000 -0.081 0.000 0.919 2180 Q CA -0.840 54.913 55.803 -0.082 0.000 0.908 2180 Q CB 1.016 29.708 28.738 -0.076 0.000 1.245 2180 Q HN 0.094 nan 8.270 nan 0.000 0.437 2181 N N 0.414 119.073 118.700 -0.068 0.000 2.381 2181 N HA 0.068 4.810 4.740 0.004 0.000 0.241 2181 N C -0.896 174.466 175.510 -0.247 0.000 1.279 2181 N CA 0.187 53.108 53.050 -0.216 0.000 0.896 2181 N CB 0.633 38.847 38.487 -0.455 0.000 1.118 2181 N HN 0.214 nan 8.380 nan 0.000 0.438 2182 V N 2.510 122.240 119.914 -0.306 0.000 2.409 2182 V HA 0.288 4.411 4.120 0.004 0.000 0.291 2182 V C -0.829 175.050 176.094 -0.358 0.000 1.020 2182 V CA -0.633 61.552 62.300 -0.192 0.000 0.848 2182 V CB 0.364 32.164 31.823 -0.038 0.000 0.990 2182 V HN 0.441 nan 8.190 nan 0.000 0.430 2183 Y N 3.229 123.515 120.300 -0.023 0.000 2.330 2183 Y HA 0.613 5.165 4.550 0.003 0.000 0.336 2183 Y C 0.130 176.008 175.900 -0.038 0.000 1.036 2183 Y CA -0.776 57.302 58.100 -0.036 0.000 1.125 2183 Y CB 1.838 40.262 38.460 -0.060 0.000 1.194 2183 Y HN 0.366 nan 8.280 nan 0.000 0.469 2184 V N 5.432 125.395 119.914 0.082 0.000 2.378 2184 V HA 0.290 4.412 4.120 0.004 0.000 0.288 2184 V C -0.800 175.310 176.094 0.026 0.000 1.016 2184 V CA -0.789 61.532 62.300 0.034 0.000 0.840 2184 V CB 1.502 33.327 31.823 0.005 0.000 0.994 2184 V HN 0.506 nan 8.190 nan 0.000 0.431 2185 L N 8.948 130.176 121.223 0.008 0.000 2.272 2185 L HA 0.660 5.002 4.340 0.004 0.000 0.289 2185 L C -2.453 174.409 176.870 -0.012 0.000 1.032 2185 L CA -1.863 52.969 54.840 -0.014 0.000 0.810 2185 L CB 1.525 43.565 42.059 -0.032 0.000 1.205 2185 L HN 0.368 nan 8.230 nan 0.000 0.422 2186 P HA 0.052 nan 4.420 nan 0.000 0.267 2186 P C 0.073 177.376 177.300 0.005 0.000 1.205 2186 P CA -0.002 63.093 63.100 -0.008 0.000 0.765 2186 P CB 0.571 32.261 31.700 -0.017 0.000 0.828 2187 K N 4.375 124.785 120.400 0.015 0.000 2.103 2187 K HA -0.239 4.084 4.320 0.004 0.000 0.207 2187 K C 1.698 178.333 176.600 0.057 0.000 1.048 2187 K CA 1.712 58.017 56.287 0.030 0.000 0.930 2187 K CB -0.239 32.275 32.500 0.023 0.000 0.716 2187 K HN 0.493 nan 8.250 nan 0.000 0.444 2188 N N 1.213 119.948 118.700 0.059 0.000 2.166 2188 N HA -0.213 4.530 4.740 0.004 0.000 0.186 2188 N C 1.849 177.452 175.510 0.154 0.000 1.019 2188 N CA 1.404 54.512 53.050 0.096 0.000 0.856 2188 N CB -0.500 38.039 38.487 0.085 0.000 0.993 2188 N HN 0.273 nan 8.380 nan 0.000 0.426 2189 L N -0.087 121.193 121.223 0.095 0.000 2.027 2189 L HA -0.082 4.260 4.340 0.004 0.000 0.206 2189 L C 2.642 179.645 176.870 0.223 0.000 1.074 2189 L CA 0.647 55.544 54.840 0.095 0.000 0.745 2189 L CB -0.534 41.443 42.059 -0.137 0.000 0.898 2189 L HN 0.136 nan 8.230 nan 0.000 0.433 2190 L N 0.508 121.812 121.223 0.136 0.000 2.012 2190 L HA -0.263 4.080 4.340 0.004 0.000 0.210 2190 L C 2.598 179.598 176.870 0.217 0.000 1.073 2190 L CA 1.933 56.875 54.840 0.169 0.000 0.748 2190 L CB -0.615 41.498 42.059 0.089 0.000 0.891 2190 L HN 0.147 nan 8.230 nan 0.000 0.431 2191 K N -0.537 119.965 120.400 0.170 0.000 2.001 2191 K HA -0.306 4.017 4.320 0.004 0.000 0.214 2191 K C 2.330 179.036 176.600 0.176 0.000 1.050 2191 K CA 2.125 58.503 56.287 0.151 0.000 0.934 2191 K CB -0.216 32.358 32.500 0.124 0.000 0.718 2191 K HN 0.145 nan 8.250 nan 0.000 0.443 2192 K N 0.254 120.793 120.400 0.233 0.000 2.057 2192 K HA -0.145 4.178 4.320 0.004 0.000 0.207 2192 K C 1.887 178.594 176.600 0.179 0.000 1.049 2192 K CA 1.464 57.861 56.287 0.183 0.000 0.931 2192 K CB -0.624 31.997 32.500 0.202 0.000 0.714 2192 K HN 0.214 nan 8.250 nan 0.000 0.440 2193 F N 0.778 120.843 119.950 0.192 0.000 2.095 2193 F HA -0.181 4.349 4.527 0.005 0.000 0.298 2193 F C 1.669 177.509 175.800 0.068 0.000 1.104 2193 F CA 1.336 59.419 58.000 0.138 0.000 1.232 2193 F CB -0.173 38.932 39.000 0.175 0.000 0.987 2193 F HN -0.026 nan 8.300 nan 0.000 0.475 2194 I N 0.498 121.111 120.570 0.071 0.000 2.226 2194 I HA -0.253 3.920 4.170 0.004 0.000 0.245 2194 I C 2.286 178.380 176.117 -0.037 0.000 1.100 2194 I CA 1.399 62.678 61.300 -0.034 0.000 1.374 2194 I CB -1.556 36.471 38.000 0.046 0.000 1.057 2194 I HN 0.268 nan 8.210 nan 0.000 0.413 2195 E N 0.844 121.061 120.200 0.028 0.000 2.118 2195 E HA -0.209 4.143 4.350 0.004 0.000 0.195 2195 E C 2.025 178.647 176.600 0.037 0.000 0.992 2195 E CA 1.429 57.858 56.400 0.049 0.000 0.804 2195 E CB -0.177 29.561 29.700 0.063 0.000 0.741 2195 E HN 0.661 nan 8.360 nan 0.000 0.458 2196 I N -1.229 119.340 120.570 -0.001 0.000 3.684 2196 I HA 0.087 4.260 4.170 0.004 0.000 0.304 2196 I C 0.998 177.187 176.117 0.120 0.000 1.278 2196 I CA -0.364 60.987 61.300 0.086 0.000 1.272 2196 I CB 0.013 38.054 38.000 0.069 0.000 1.029 2196 I HN -0.102 nan 8.210 nan 0.000 0.458 2197 S N 0.488 116.146 115.700 -0.069 0.000 2.646 2197 S HA 0.382 4.855 4.470 0.004 0.000 0.273 2197 S C -0.449 174.060 174.600 -0.151 0.000 1.168 2197 S CA -0.567 57.549 58.200 -0.139 0.000 1.013 2197 S CB 1.518 64.528 63.200 -0.317 0.000 1.098 2197 S HN 0.355 nan 8.310 nan 0.000 0.544 2198 D N -1.603 118.585 120.400 -0.352 0.000 2.433 2198 D HA 0.430 5.072 4.640 0.004 0.000 0.236 2198 D C 1.019 177.163 176.300 -0.260 0.000 1.026 2198 D CA -0.466 53.253 54.000 -0.469 0.000 0.884 2198 D CB 1.916 42.039 40.800 -1.129 0.000 1.384 2198 D HN 0.405 nan 8.370 nan 0.000 0.477 2199 V N 0.623 120.436 119.914 -0.170 0.000 2.759 2199 V HA 0.006 4.128 4.120 0.004 0.000 0.256 2199 V C 1.198 177.231 176.094 -0.102 0.000 1.080 2199 V CA 1.261 63.492 62.300 -0.116 0.000 1.101 2199 V CB -0.515 31.261 31.823 -0.079 0.000 0.698 2199 V HN 0.469 nan 8.190 nan 0.000 0.477 2200 K N -0.223 120.104 120.400 -0.121 0.000 2.412 2200 K HA 0.458 4.781 4.320 0.004 0.000 0.201 2200 K C 0.365 176.920 176.600 -0.076 0.000 1.275 2200 K CA -0.052 56.196 56.287 -0.065 0.000 0.910 2200 K CB 0.680 33.172 32.500 -0.015 0.000 1.346 2200 K HN 0.350 nan 8.250 nan 0.000 0.490 2201 I N 2.887 123.349 120.570 -0.180 0.000 2.353 2201 I HA 0.067 4.240 4.170 0.004 0.000 0.293 2201 I C 0.133 176.166 176.117 -0.140 0.000 0.992 2201 I CA -0.444 60.767 61.300 -0.149 0.000 1.268 2201 I CB 1.439 39.329 38.000 -0.183 0.000 1.387 2201 I HN 0.090 nan 8.210 nan 0.000 0.478 2202 Q N 4.195 123.997 119.800 0.003 0.000 2.395 2202 Q HA 0.282 4.625 4.340 0.004 0.000 0.271 2202 Q C -0.950 175.123 176.000 0.121 0.000 1.026 2202 Q CA 0.085 55.936 55.803 0.081 0.000 0.900 2202 Q CB 1.374 30.206 28.738 0.156 0.000 1.266 2202 Q HN 0.398 nan 8.270 nan 0.000 0.430 2203 V N 0.964 120.971 119.914 0.155 0.000 2.709 2203 V HA 0.761 4.884 4.120 0.004 0.000 0.308 2203 V C -0.786 175.507 176.094 0.332 0.000 1.062 2203 V CA -0.619 61.809 62.300 0.212 0.000 0.901 2203 V CB 1.833 33.699 31.823 0.072 0.000 1.003 2203 V HN 0.888 nan 8.190 nan 0.000 0.425 2204 A N 3.242 126.283 122.820 0.368 0.000 2.479 2204 A HA 1.095 5.418 4.320 0.004 0.000 0.296 2204 A C -0.572 177.200 177.584 0.312 0.000 1.121 2204 A CA -0.122 52.184 52.037 0.450 0.000 0.743 2204 A CB 2.155 21.430 19.000 0.459 0.000 1.323 2204 A HN 1.880 nan 8.150 nan 0.000 0.415 2205 A N -0.285 122.648 122.820 0.189 0.000 2.601 2205 A HA 0.728 5.051 4.320 0.004 0.000 0.291 2205 A C -1.457 176.101 177.584 -0.044 0.000 1.075 2205 A CA -0.563 51.501 52.037 0.045 0.000 0.671 2205 A CB 0.431 19.497 19.000 0.110 0.000 1.277 2205 A HN 0.826 nan 8.150 nan 0.000 0.417 2206 F N 0.540 120.612 119.950 0.204 0.000 2.379 2206 F HA 0.608 5.137 4.527 0.004 0.000 0.332 2206 F C 0.670 176.558 175.800 0.147 0.000 1.096 2206 F CA -0.250 57.880 58.000 0.218 0.000 1.105 2206 F CB 1.482 40.646 39.000 0.272 0.000 1.189 2206 F HN 0.533 nan 8.300 nan 0.000 0.515 2207 I N 0.426 121.145 120.570 0.249 0.000 2.441 2207 I HA 0.587 4.760 4.170 0.004 0.000 0.295 2207 I C -1.745 174.374 176.117 0.002 0.000 0.994 2207 I CA -0.822 60.543 61.300 0.109 0.000 1.144 2207 I CB 1.526 39.519 38.000 -0.011 0.000 1.314 2207 I HN 0.394 nan 8.210 nan 0.000 0.445 2208 Y N 3.640 123.956 120.300 0.026 0.000 2.499 2208 Y HA 0.896 5.449 4.550 0.005 0.000 0.347 2208 Y C 0.555 176.467 175.900 0.019 0.000 0.987 2208 Y CA -0.344 57.769 58.100 0.021 0.000 1.044 2208 Y CB 2.468 40.931 38.460 0.004 0.000 1.245 2208 Y HN 0.967 nan 8.280 nan 0.000 0.461 2209 G N 1.292 110.191 108.800 0.165 0.000 2.500 2209 G HA2 0.634 4.596 3.960 0.004 0.000 0.299 2209 G HA3 0.634 4.596 3.960 0.004 0.000 0.299 2209 G C -1.501 173.452 174.900 0.089 0.000 1.242 2209 G CA -0.692 44.476 45.100 0.112 0.000 0.859 2209 G HN 0.636 nan 8.290 nan 0.000 0.481 2210 M N -1.575 118.062 119.600 0.062 0.000 2.949 2210 M HA 0.710 5.192 4.480 0.004 0.000 0.270 2210 M C -0.706 175.610 176.300 0.026 0.000 1.221 2210 M CA -0.872 54.455 55.300 0.045 0.000 0.818 2210 M CB 1.390 34.016 32.600 0.044 0.000 1.635 2210 M HN 0.446 nan 8.290 nan 0.000 0.492 2211 S N 1.255 116.965 115.700 0.017 0.000 2.568 2211 S HA 0.553 5.026 4.470 0.004 0.000 0.282 2211 S C 0.256 174.864 174.600 0.013 0.000 1.338 2211 S CA -0.082 58.123 58.200 0.008 0.000 1.045 2211 S CB 0.852 64.056 63.200 0.006 0.000 0.873 2211 S HN 0.730 nan 8.310 nan 0.000 0.516 2212 A N 2.336 125.165 122.820 0.016 0.000 2.280 2212 A HA 0.349 4.672 4.320 0.004 0.000 0.268 2212 A C 1.164 178.761 177.584 0.021 0.000 1.111 2212 A CA -0.229 51.819 52.037 0.019 0.000 0.814 2212 A CB 0.204 19.217 19.000 0.021 0.000 1.093 2212 A HN 0.892 nan 8.150 nan 0.000 0.498 2213 K N -0.819 119.592 120.400 0.018 0.000 2.076 2213 K HA -0.070 4.252 4.320 0.004 0.000 0.204 2213 K C 0.771 177.382 176.600 0.019 0.000 1.051 2213 K CA 1.469 57.764 56.287 0.013 0.000 0.949 2213 K CB -0.061 32.444 32.500 0.008 0.000 0.726 2213 K HN 0.659 nan 8.250 nan 0.000 0.443 2214 D N -0.760 119.661 120.400 0.035 0.000 2.269 2214 D HA -0.050 4.593 4.640 0.004 0.000 0.208 2214 D C 0.054 176.421 176.300 0.112 0.000 0.963 2214 D CA 1.131 55.164 54.000 0.055 0.000 0.864 2214 D CB 0.238 41.068 40.800 0.049 0.000 0.936 2214 D HN 0.147 nan 8.370 nan 0.000 0.505 2215 H N -2.052 117.009 119.070 -0.016 0.000 3.129 2215 H HA 0.123 4.680 4.556 0.003 0.000 0.342 2215 H C -2.273 173.044 175.328 -0.019 0.000 1.092 2215 H CA -1.059 54.981 56.048 -0.014 0.000 1.310 2215 H CB 2.352 32.106 29.762 -0.013 0.000 1.932 2215 H HN -0.255 nan 8.280 nan 0.000 0.507 2216 P HA -0.008 nan 4.420 nan 0.000 0.222 2216 P C 0.653 177.997 177.300 0.074 0.000 1.147 2216 P CA 1.056 64.148 63.100 -0.012 0.000 0.790 2216 P CB 0.367 32.017 31.700 -0.084 0.000 0.780 2217 K N -0.889 119.677 120.400 0.276 0.000 2.417 2217 K HA 0.159 4.481 4.320 0.004 0.000 0.196 2217 K C -0.154 176.456 176.600 0.017 0.000 1.023 2217 K CA 0.011 56.396 56.287 0.163 0.000 1.122 2217 K CB 0.445 33.085 32.500 0.233 0.000 0.850 2217 K HN -0.007 nan 8.250 nan 0.000 0.521 2218 V N 3.134 123.074 119.914 0.043 0.000 2.348 2218 V HA 0.117 4.240 4.120 0.004 0.000 0.270 2218 V C -0.100 175.943 176.094 -0.086 0.000 1.037 2218 V CA -0.578 61.684 62.300 -0.063 0.000 0.872 2218 V CB 0.961 32.770 31.823 -0.023 0.000 1.002 2218 V HN 0.044 nan 8.190 nan 0.000 0.464 2219 K N 4.841 125.127 120.400 -0.190 0.000 2.281 2219 K HA 0.411 4.734 4.320 0.004 0.000 0.272 2219 K C -0.102 176.487 176.600 -0.020 0.000 1.048 2219 K CA -0.223 55.998 56.287 -0.111 0.000 0.898 2219 K CB 1.556 33.956 32.500 -0.165 0.000 1.128 2219 K HN 0.673 nan 8.250 nan 0.000 0.460 2220 E N 3.069 123.274 120.200 0.008 0.000 2.229 2220 E HA 0.209 4.561 4.350 0.004 0.000 0.283 2220 E C -0.066 176.559 176.600 0.042 0.000 1.030 2220 E CA -0.403 56.011 56.400 0.022 0.000 0.836 2220 E CB 1.033 30.741 29.700 0.013 0.000 1.068 2220 E HN 0.372 nan 8.360 nan 0.000 0.401 2221 I N 4.295 124.889 120.570 0.040 0.000 2.452 2221 I HA -0.032 4.141 4.170 0.004 0.000 0.287 2221 I C 1.348 177.473 176.117 0.014 0.000 1.079 2221 I CA -0.031 61.289 61.300 0.034 0.000 1.387 2221 I CB 0.520 38.525 38.000 0.008 0.000 1.404 2221 I HN 0.377 nan 8.210 nan 0.000 0.522 2222 K N 3.535 123.956 120.400 0.035 0.000 2.168 2222 K HA 0.212 4.535 4.320 0.004 0.000 0.201 2222 K C 0.296 176.896 176.600 0.000 0.000 1.049 2222 K CA 0.825 57.128 56.287 0.026 0.000 0.974 2222 K CB 0.329 32.862 32.500 0.056 0.000 0.792 2222 K HN 0.517 nan 8.250 nan 0.000 0.463 2223 T N 0.904 115.468 114.554 0.017 0.000 2.952 2223 T HA 0.378 4.731 4.350 0.004 0.000 0.305 2223 T C -1.005 173.674 174.700 -0.036 0.000 1.064 2223 T CA -0.578 61.509 62.100 -0.022 0.000 1.008 2223 T CB 2.800 71.688 68.868 0.033 0.000 1.078 2223 T HN -0.302 nan 8.240 nan 0.000 0.459 2224 V N 3.218 123.014 119.914 -0.196 0.000 2.398 2224 V HA 0.463 4.586 4.120 0.004 0.000 0.286 2224 V C -0.259 175.870 176.094 0.058 0.000 1.026 2224 V CA -0.682 61.547 62.300 -0.118 0.000 0.868 2224 V CB 1.709 33.321 31.823 -0.351 0.000 0.982 2224 V HN 0.741 nan 8.190 nan 0.000 0.443 2225 V N 6.388 126.406 119.914 0.174 0.000 2.311 2225 V HA 0.331 4.453 4.120 0.004 0.000 0.275 2225 V C -0.179 176.062 176.094 0.245 0.000 1.022 2225 V CA -0.559 61.843 62.300 0.170 0.000 0.830 2225 V CB 1.299 33.159 31.823 0.061 0.000 1.012 2225 V HN 0.609 nan 8.190 nan 0.000 0.452 2226 L N 7.935 129.293 121.223 0.226 0.000 2.325 2226 L HA 0.489 4.832 4.340 0.004 0.000 0.284 2226 L C 0.107 177.148 176.870 0.284 0.000 1.089 2226 L CA 0.411 55.332 54.840 0.135 0.000 0.836 2226 L CB 1.174 43.170 42.059 -0.105 0.000 1.184 2226 L HN 0.604 nan 8.230 nan 0.000 0.444 2227 V N 3.892 124.006 119.914 0.333 0.000 2.975 2227 V HA 0.748 4.870 4.120 0.004 0.000 0.318 2227 V C -2.453 173.873 176.094 0.387 0.000 1.077 2227 V CA -2.613 59.970 62.300 0.472 0.000 1.000 2227 V CB 1.166 33.303 31.823 0.523 0.000 1.066 2227 V HN 0.649 nan 8.190 nan 0.000 0.452 2228 P HA 0.213 nan 4.420 nan 0.000 0.264 2228 P C -0.838 176.687 177.300 0.375 0.000 1.183 2228 P CA 0.373 63.643 63.100 0.283 0.000 0.763 2228 P CB 0.104 31.658 31.700 -0.243 0.000 0.807 2229 Q N 1.940 121.839 119.800 0.166 0.000 2.590 2229 Q HA 0.653 4.996 4.340 0.004 0.000 0.295 2229 Q C -1.860 173.778 176.000 -0.603 0.000 0.973 2229 Q CA -1.136 54.588 55.803 -0.132 0.000 0.768 2229 Q CB 1.595 30.407 28.738 0.124 0.000 1.479 2229 Q HN 0.294 nan 8.270 nan 0.000 0.419 2230 L N 1.353 122.196 121.223 -0.634 0.000 2.415 2230 L HA 0.679 5.022 4.340 0.004 0.000 0.268 2230 L C -0.486 176.141 176.870 -0.405 0.000 0.984 2230 L CA -0.454 54.036 54.840 -0.584 0.000 0.853 2230 L CB 1.412 43.065 42.059 -0.677 0.000 1.215 2230 L HN 0.922 nan 8.230 nan 0.000 0.419 2231 G N 2.564 111.163 108.800 -0.335 0.000 2.448 2231 G HA2 0.463 4.426 3.960 0.004 0.000 0.285 2231 G HA3 0.463 4.426 3.960 0.004 0.000 0.285 2231 G C -0.889 173.730 174.900 -0.468 0.000 1.176 2231 G CA -0.210 44.763 45.100 -0.210 0.000 0.852 2231 G HN 0.684 nan 8.290 nan 0.000 0.530 2232 H N -0.726 118.345 119.070 0.000 0.000 2.907 2232 H HA 0.283 4.842 4.556 0.004 0.000 0.361 2232 H C -0.665 174.670 175.328 0.012 0.000 1.194 2232 H CA -0.642 55.403 56.048 -0.005 0.000 1.152 2232 H CB 1.882 31.644 29.762 -0.000 0.000 1.867 2232 H HN 0.273 nan 8.280 nan 0.000 0.561 2233 V N 1.402 121.405 119.914 0.149 0.000 2.446 2233 V HA 0.186 4.309 4.120 0.004 0.000 0.276 2233 V C 1.292 177.445 176.094 0.098 0.000 1.030 2233 V CA 1.458 63.816 62.300 0.096 0.000 1.033 2233 V CB 0.215 32.082 31.823 0.074 0.000 0.993 2233 V HN 1.180 nan 8.190 nan 0.000 0.477 2234 G N 3.993 112.847 108.800 0.090 0.000 2.176 2234 G HA2 -0.191 3.771 3.960 0.004 0.000 0.253 2234 G HA3 -0.191 3.771 3.960 0.004 0.000 0.253 2234 G C 0.171 175.117 174.900 0.077 0.000 0.979 2234 G CA 0.519 45.663 45.100 0.074 0.000 0.641 2234 G HN 1.629 nan 8.290 nan 0.000 0.530 2235 S N -2.426 113.345 115.700 0.118 0.000 2.615 2235 S HA 0.789 5.262 4.470 0.004 0.000 0.268 2235 S C -1.286 173.436 174.600 0.203 0.000 1.146 2235 S CA 0.017 58.292 58.200 0.124 0.000 0.818 2235 S CB 2.445 65.679 63.200 0.057 0.000 1.111 2235 S HN 1.859 nan 8.310 nan 0.000 0.465 2236 V N 0.777 120.804 119.914 0.188 0.000 2.851 2236 V HA 0.527 4.649 4.120 0.004 0.000 0.307 2236 V C -1.702 174.479 176.094 0.145 0.000 1.129 2236 V CA -0.401 62.012 62.300 0.188 0.000 0.932 2236 V CB 2.048 33.973 31.823 0.170 0.000 1.024 2236 V HN 1.025 nan 8.190 nan 0.000 0.426 2237 Q N 6.136 126.026 119.800 0.150 0.000 2.361 2237 Q HA 0.538 4.881 4.340 0.004 0.000 0.250 2237 Q C -0.674 175.421 176.000 0.158 0.000 1.023 2237 Q CA -0.001 55.894 55.803 0.154 0.000 0.915 2237 Q CB 1.289 30.169 28.738 0.236 0.000 1.238 2237 Q HN 0.664 nan 8.270 nan 0.000 0.451 2238 I N 1.648 122.291 120.570 0.122 0.000 2.385 2238 I HA 0.194 4.367 4.170 0.004 0.000 0.294 2238 I C 0.815 177.078 176.117 0.243 0.000 0.988 2238 I CA -0.622 60.764 61.300 0.143 0.000 1.265 2238 I CB 1.519 39.486 38.000 -0.054 0.000 1.388 2238 I HN 0.559 nan 8.210 nan 0.000 0.480 2239 S N 4.744 120.663 115.700 0.365 0.000 2.617 2239 S HA 0.223 4.696 4.470 0.004 0.000 0.255 2239 S C 0.214 174.989 174.600 0.291 0.000 1.318 2239 S CA -0.789 57.597 58.200 0.311 0.000 0.978 2239 S CB 0.330 63.750 63.200 0.368 0.000 0.961 2239 S HN 0.550 nan 8.310 nan 0.000 0.582 2240 N N 0.203 119.034 118.700 0.219 0.000 2.415 2240 N HA 0.213 4.956 4.740 0.004 0.000 0.248 2240 N C -0.072 175.479 175.510 0.068 0.000 1.271 2240 N CA -0.293 52.831 53.050 0.124 0.000 0.913 2240 N CB -0.354 38.172 38.487 0.064 0.000 1.129 2240 N HN 0.609 nan 8.380 nan 0.000 0.444 2241 I N 2.583 123.061 120.570 -0.154 0.000 2.828 2241 I HA -0.075 4.098 4.170 0.004 0.000 0.292 2241 I C -1.538 174.406 176.117 -0.288 0.000 1.206 2241 I CA -0.751 60.238 61.300 -0.518 0.000 1.420 2241 I CB -0.129 37.655 38.000 -0.361 0.000 1.368 2241 I HN 0.293 nan 8.210 nan 0.000 0.556 2242 P HA 0.093 nan 4.420 nan 0.000 0.278 2242 P C -0.927 176.247 177.300 -0.210 0.000 1.238 2242 P CA -0.377 62.534 63.100 -0.315 0.000 0.794 2242 P CB 0.882 32.072 31.700 -0.850 0.000 0.955 2243 D N 2.088 122.463 120.400 -0.042 0.000 2.380 2243 D HA 0.171 4.814 4.640 0.004 0.000 0.230 2243 D C 0.715 177.006 176.300 -0.015 0.000 1.154 2243 D CA -0.360 53.636 54.000 -0.006 0.000 0.859 2243 D CB -0.148 40.691 40.800 0.065 0.000 1.045 2243 D HN 0.334 nan 8.370 nan 0.000 0.495 2244 I N 0.559 121.053 120.570 -0.128 0.000 3.936 2244 I HA 0.429 4.601 4.170 0.004 0.000 0.330 2244 I C 1.448 177.511 176.117 -0.090 0.000 1.509 2244 I CA -0.662 60.545 61.300 -0.155 0.000 1.126 2244 I CB 0.873 38.652 38.000 -0.368 0.000 1.115 2244 I HN 0.267 nan 8.210 nan 0.000 0.424 2245 G N 2.268 111.044 108.800 -0.039 0.000 2.422 2245 G HA2 -0.255 3.708 3.960 0.004 0.000 0.218 2245 G HA3 -0.255 3.708 3.960 0.004 0.000 0.218 2245 G C 1.231 176.137 174.900 0.010 0.000 1.140 2245 G CA 1.172 46.266 45.100 -0.011 0.000 0.775 2245 G HN 0.652 nan 8.290 nan 0.000 0.545 2246 D N 0.123 120.536 120.400 0.021 0.000 2.363 2246 D HA -0.008 4.635 4.640 0.004 0.000 0.220 2246 D C 1.079 177.407 176.300 0.048 0.000 0.994 2246 D CA 0.005 54.026 54.000 0.036 0.000 0.890 2246 D CB -0.247 40.578 40.800 0.043 0.000 0.906 2246 D HN 0.255 nan 8.370 nan 0.000 0.530 2247 L N 1.408 122.656 121.223 0.042 0.000 2.357 2247 L HA 0.356 4.699 4.340 0.004 0.000 0.273 2247 L C -2.025 174.925 176.870 0.134 0.000 1.080 2247 L CA -2.132 52.760 54.840 0.087 0.000 0.803 2247 L CB 1.093 43.156 42.059 0.006 0.000 1.174 2247 L HN -0.187 nan 8.230 nan 0.000 0.443 2248 P HA 0.050 nan 4.420 nan 0.000 0.274 2248 P C -0.541 176.863 177.300 0.173 0.000 1.237 2248 P CA -0.035 63.151 63.100 0.143 0.000 0.793 2248 P CB 0.659 32.419 31.700 0.100 0.000 0.977 2249 D N -0.827 119.627 120.400 0.091 0.000 3.039 2249 D HA -0.133 4.510 4.640 0.004 0.000 0.222 2249 D C 1.001 177.365 176.300 0.108 0.000 1.179 2249 D CA 1.916 55.962 54.000 0.076 0.000 0.880 2249 D CB -1.695 39.120 40.800 0.026 0.000 1.115 2249 D HN 0.602 nan 8.370 nan 0.000 0.416 2250 T N -2.584 112.029 114.554 0.098 0.000 3.065 2250 T HA -0.020 4.332 4.350 0.004 0.000 0.252 2250 T C 0.733 175.456 174.700 0.038 0.000 1.099 2250 T CA -0.113 62.017 62.100 0.050 0.000 1.063 2250 T CB 0.260 69.122 68.868 -0.009 0.000 0.948 2250 T HN 0.236 nan 8.240 nan 0.000 0.506 2251 E N 2.092 122.317 120.200 0.042 0.000 2.376 2251 E HA 0.353 4.706 4.350 0.004 0.000 0.266 2251 E C 1.095 177.720 176.600 0.042 0.000 1.009 2251 E CA 0.367 56.790 56.400 0.037 0.000 0.902 2251 E CB 0.290 30.009 29.700 0.031 0.000 0.972 2251 E HN 0.478 nan 8.360 nan 0.000 0.439 2252 G N 2.825 111.651 108.800 0.044 0.000 2.175 2252 G HA2 -0.253 3.709 3.960 0.004 0.000 0.244 2252 G HA3 -0.253 3.709 3.960 0.004 0.000 0.244 2252 G C 0.039 174.976 174.900 0.063 0.000 0.982 2252 G CA 0.087 45.215 45.100 0.045 0.000 0.641 2252 G HN 0.475 nan 8.290 nan 0.000 0.527 2253 L N 1.263 122.536 121.223 0.084 0.000 2.276 2253 L HA 0.487 4.830 4.340 0.004 0.000 0.286 2253 L C 0.362 177.335 176.870 0.173 0.000 1.061 2253 L CA -0.513 54.409 54.840 0.136 0.000 0.807 2253 L CB 1.066 43.216 42.059 0.153 0.000 1.177 2253 L HN 0.226 nan 8.230 nan 0.000 0.429 2254 E N 2.971 123.255 120.200 0.140 0.000 2.231 2254 E HA 0.283 4.635 4.350 0.004 0.000 0.277 2254 E C -0.738 175.852 176.600 -0.018 0.000 0.999 2254 E CA -1.009 55.437 56.400 0.076 0.000 0.827 2254 E CB 2.299 32.021 29.700 0.038 0.000 1.101 2254 E HN 0.269 nan 8.360 nan 0.000 0.393 2255 L N 3.773 124.882 121.223 -0.190 0.000 2.477 2255 L HA -0.032 4.311 4.340 0.004 0.000 0.272 2255 L C -0.128 176.552 176.870 -0.317 0.000 1.157 2255 L CA 0.433 54.923 54.840 -0.583 0.000 0.889 2255 L CB 0.295 42.072 42.059 -0.469 0.000 1.158 2255 L HN 0.618 nan 8.230 nan 0.000 0.473 2256 L N 4.790 125.829 121.223 -0.307 0.000 2.470 2256 L HA 0.560 4.902 4.340 0.004 0.000 0.219 2256 L C 1.120 177.837 176.870 -0.254 0.000 1.071 2256 L CA 0.906 55.646 54.840 -0.167 0.000 0.850 2256 L CB -0.691 41.338 42.059 -0.050 0.000 1.040 2256 L HN 0.931 nan 8.230 nan 0.000 0.475 2257 G N -2.136 106.523 108.800 -0.235 0.000 2.366 2257 G HA2 0.107 4.070 3.960 0.004 0.000 0.190 2257 G HA3 0.107 4.070 3.960 0.004 0.000 0.190 2257 G C -1.960 173.132 174.900 0.320 0.000 1.299 2257 G CA -0.198 44.795 45.100 -0.178 0.000 1.056 2257 G HN 0.067 nan 8.290 nan 0.000 0.468 2258 W N -0.133 121.216 121.300 0.082 0.000 3.029 2258 W HA 0.876 5.538 4.660 0.003 0.000 0.339 2258 W C -1.583 174.954 176.519 0.029 0.000 1.198 2258 W CA -2.046 55.352 57.345 0.089 0.000 1.148 2258 W CB 0.820 30.352 29.460 0.120 0.000 1.451 2258 W HN 0.849 nan 8.180 nan 0.000 0.564 2259 I N 2.390 122.923 120.570 -0.061 0.000 2.647 2259 I HA 0.614 4.787 4.170 0.004 0.000 0.295 2259 I C -1.301 174.745 176.117 -0.118 0.000 1.078 2259 I CA -0.777 60.340 61.300 -0.305 0.000 1.048 2259 I CB 2.039 39.759 38.000 -0.466 0.000 1.239 2259 I HN 0.736 nan 8.210 nan 0.000 0.421 2260 H N 1.834 120.807 119.070 -0.163 0.000 3.042 2260 H HA 0.593 5.152 4.556 0.004 0.000 0.346 2260 H C -1.368 174.047 175.328 0.146 0.000 1.294 2260 H CA -0.650 55.465 56.048 0.111 0.000 1.141 2260 H CB 1.124 30.873 29.762 -0.021 0.000 1.872 2260 H HN 0.483 nan 8.280 nan 0.000 0.541 2261 T N -0.171 114.521 114.554 0.231 0.000 2.927 2261 T HA 0.581 4.934 4.350 0.004 0.000 0.281 2261 T C -0.330 174.488 174.700 0.198 0.000 0.998 2261 T CA -0.698 61.466 62.100 0.107 0.000 1.019 2261 T CB 1.663 70.549 68.868 0.030 0.000 1.061 2261 T HN 0.923 nan 8.240 nan 0.000 0.518 2262 Q N -0.553 119.331 119.800 0.140 0.000 2.522 2262 Q HA 0.515 4.857 4.340 0.004 0.000 0.285 2262 Q C -0.586 175.535 176.000 0.203 0.000 0.982 2262 Q CA -0.982 54.934 55.803 0.189 0.000 0.805 2262 Q CB 1.222 30.098 28.738 0.230 0.000 1.457 2262 Q HN 0.716 nan 8.270 nan 0.000 0.394 2263 T N -2.646 112.024 114.554 0.194 0.000 3.129 2263 T HA 0.295 4.647 4.350 0.004 0.000 0.267 2263 T C -0.316 174.594 174.700 0.351 0.000 1.018 2263 T CA -0.244 61.992 62.100 0.226 0.000 0.903 2263 T CB 0.150 69.078 68.868 0.100 0.000 1.067 2263 T HN 0.486 nan 8.240 nan 0.000 0.549 2264 E N 1.669 122.015 120.200 0.243 0.000 2.210 2264 E HA 0.307 4.659 4.350 0.004 0.000 0.266 2264 E C -1.083 175.297 176.600 -0.367 0.000 0.883 2264 E CA -0.451 55.947 56.400 -0.003 0.000 0.761 2264 E CB 2.544 32.222 29.700 -0.037 0.000 1.156 2264 E HN 0.444 nan 8.360 nan 0.000 0.412 2265 E N 3.840 123.531 120.200 -0.848 0.000 2.223 2265 E HA 0.303 4.655 4.350 0.004 0.000 0.282 2265 E C -0.808 175.461 176.600 -0.552 0.000 1.046 2265 E CA -0.065 55.677 56.400 -1.096 0.000 0.857 2265 E CB 0.485 29.409 29.700 -1.294 0.000 1.055 2265 E HN 0.341 nan 8.360 nan 0.000 0.409 2266 L N 3.546 124.482 121.223 -0.478 0.000 2.277 2266 L HA 0.468 4.811 4.340 0.004 0.000 0.254 2266 L C 0.311 176.917 176.870 -0.441 0.000 1.044 2266 L CA -0.956 53.536 54.840 -0.581 0.000 0.842 2266 L CB 1.784 43.357 42.059 -0.810 0.000 1.422 2266 L HN 0.452 nan 8.230 nan 0.000 0.422 2267 K N 0.749 120.808 120.400 -0.568 0.000 2.564 2267 K HA 0.357 4.680 4.320 0.004 0.000 0.205 2267 K C -1.356 175.295 176.600 0.085 0.000 1.053 2267 K CA -0.013 56.231 56.287 -0.071 0.000 1.072 2267 K CB 0.579 33.137 32.500 0.097 0.000 0.822 2267 K HN 0.400 nan 8.250 nan 0.000 0.497 2268 F N -2.761 117.094 119.950 -0.159 0.000 2.807 2268 F HA 0.421 4.950 4.527 0.004 0.000 0.316 2268 F C -0.986 174.435 175.800 -0.632 0.000 1.162 2268 F CA -1.634 56.057 58.000 -0.514 0.000 0.910 2268 F CB 0.493 39.361 39.000 -0.220 0.000 1.314 2268 F HN -0.327 nan 8.300 nan 0.000 0.454 2269 M N 2.535 121.883 119.600 -0.420 0.000 2.219 2269 M HA 0.532 5.015 4.480 0.004 0.000 0.353 2269 M C 0.428 176.889 176.300 0.268 0.000 1.304 2269 M CA -0.225 55.004 55.300 -0.119 0.000 1.115 2269 M CB 0.997 33.579 32.600 -0.029 0.000 1.664 2269 M HN 0.833 nan 8.290 nan 0.000 0.459 2270 A N 2.848 125.749 122.820 0.135 0.000 2.366 2270 A HA 0.508 4.831 4.320 0.004 0.000 0.250 2270 A C 1.315 178.841 177.584 -0.096 0.000 1.099 2270 A CA 0.270 52.336 52.037 0.047 0.000 0.794 2270 A CB 0.012 18.990 19.000 -0.037 0.000 1.056 2270 A HN 1.024 nan 8.150 nan 0.000 0.499 2271 A N 0.530 122.921 122.820 -0.715 0.000 1.892 2271 A HA -0.127 4.195 4.320 0.004 0.000 0.218 2271 A C 2.428 180.058 177.584 0.077 0.000 1.188 2271 A CA 2.648 54.382 52.037 -0.505 0.000 0.631 2271 A CB -1.211 17.434 19.000 -0.592 0.000 0.822 2271 A HN 0.859 nan 8.150 nan 0.000 0.447 2272 S N -0.798 114.912 115.700 0.016 0.000 2.382 2272 S HA -0.153 4.320 4.470 0.004 0.000 0.228 2272 S C 1.871 176.556 174.600 0.140 0.000 1.027 2272 S CA 1.352 59.597 58.200 0.075 0.000 0.991 2272 S CB -0.302 62.920 63.200 0.036 0.000 0.823 2272 S HN 0.680 nan 8.310 nan 0.000 0.469 2273 E N 0.463 120.767 120.200 0.174 0.000 2.058 2273 E HA -0.144 4.209 4.350 0.004 0.000 0.194 2273 E C 2.071 178.890 176.600 0.365 0.000 0.997 2273 E CA 1.356 57.947 56.400 0.317 0.000 0.801 2273 E CB -0.156 29.707 29.700 0.272 0.000 0.746 2273 E HN 0.253 nan 8.360 nan 0.000 0.450 2274 V N 1.016 121.125 119.914 0.326 0.000 2.295 2274 V HA -0.286 3.837 4.120 0.004 0.000 0.246 2274 V C 2.284 178.551 176.094 0.289 0.000 1.049 2274 V CA 1.850 64.355 62.300 0.341 0.000 1.024 2274 V CB -0.706 31.415 31.823 0.497 0.000 0.648 2274 V HN 0.348 nan 8.190 nan 0.000 0.447 2275 A N -0.550 122.428 122.820 0.262 0.000 1.902 2275 A HA -0.235 4.088 4.320 0.004 0.000 0.217 2275 A C 2.407 180.005 177.584 0.024 0.000 1.181 2275 A CA 2.563 54.661 52.037 0.102 0.000 0.623 2275 A CB -1.007 18.015 19.000 0.036 0.000 0.818 2275 A HN 0.486 nan 8.150 nan 0.000 0.443 2276 T N -1.566 112.989 114.554 0.002 0.000 2.708 2276 T HA -0.162 4.191 4.350 0.004 0.000 0.266 2276 T C 1.869 176.385 174.700 -0.307 0.000 1.037 2276 T CA 1.907 63.895 62.100 -0.186 0.000 1.146 2276 T CB -0.406 68.295 68.868 -0.279 0.000 0.865 2276 T HN 0.776 nan 8.240 nan 0.000 0.435 2277 H N 0.646 119.596 119.070 -0.199 0.000 2.353 2277 H HA -0.025 4.534 4.556 0.004 0.000 0.300 2277 H C 2.417 177.779 175.328 0.056 0.000 1.090 2277 H CA 1.788 57.808 56.048 -0.047 0.000 1.327 2277 H CB -0.057 29.898 29.762 0.322 0.000 1.383 2277 H HN 0.194 nan 8.280 nan 0.000 0.508 2278 S N 0.060 115.879 115.700 0.198 0.000 2.355 2278 S HA -0.161 4.312 4.470 0.004 0.000 0.222 2278 S C 1.995 176.648 174.600 0.089 0.000 1.031 2278 S CA 1.277 59.638 58.200 0.267 0.000 0.993 2278 S CB -0.203 63.117 63.200 0.200 0.000 0.859 2278 S HN 0.428 nan 8.310 nan 0.000 0.453 2279 K N 0.961 121.332 120.400 -0.048 0.000 2.074 2279 K HA -0.106 4.216 4.320 0.004 0.000 0.209 2279 K C 1.931 178.402 176.600 -0.215 0.000 1.048 2279 K CA 1.205 57.421 56.287 -0.118 0.000 0.926 2279 K CB -0.222 32.197 32.500 -0.135 0.000 0.713 2279 K HN 0.287 nan 8.250 nan 0.000 0.444 2280 L N -0.937 120.023 121.223 -0.437 0.000 2.068 2280 L HA -0.049 4.294 4.340 0.004 0.000 0.204 2280 L C 1.704 178.189 176.870 -0.642 0.000 1.076 2280 L CA 1.116 55.505 54.840 -0.752 0.000 0.753 2280 L CB -0.076 41.090 42.059 -1.488 0.000 0.910 2280 L HN 0.159 nan 8.230 nan 0.000 0.439 2281 F N -1.897 118.022 119.950 -0.053 0.000 2.724 2281 F HA 0.288 4.818 4.527 0.005 0.000 0.306 2281 F C 2.244 178.026 175.800 -0.030 0.000 1.100 2281 F CA 0.217 58.200 58.000 -0.028 0.000 1.255 2281 F CB -0.233 38.731 39.000 -0.060 0.000 1.072 2281 F HN -0.104 nan 8.300 nan 0.000 0.589 2282 A N 0.507 123.408 122.820 0.135 0.000 1.908 2282 A HA -0.190 4.133 4.320 0.004 0.000 0.218 2282 A C 1.569 179.082 177.584 -0.118 0.000 1.181 2282 A CA 2.185 54.182 52.037 -0.066 0.000 0.627 2282 A CB -0.556 18.497 19.000 0.089 0.000 0.818 2282 A HN 0.254 nan 8.150 nan 0.000 0.445 2283 D N -1.495 118.876 120.400 -0.047 0.000 2.349 2283 D HA 0.093 4.735 4.640 0.004 0.000 0.214 2283 D C 1.281 177.563 176.300 -0.030 0.000 1.063 2283 D CA 0.310 54.282 54.000 -0.046 0.000 0.847 2283 D CB 0.354 41.133 40.800 -0.034 0.000 0.933 2283 D HN 0.336 nan 8.370 nan 0.000 0.513 2284 K N 0.321 120.717 120.400 -0.006 0.000 2.354 2284 K HA 0.181 4.504 4.320 0.004 0.000 0.210 2284 K C 0.563 177.177 176.600 0.023 0.000 1.184 2284 K CA 0.266 56.565 56.287 0.021 0.000 0.880 2284 K CB 1.460 33.995 32.500 0.058 0.000 1.328 2284 K HN -0.108 nan 8.250 nan 0.000 0.466 2285 K N 1.090 121.520 120.400 0.049 0.000 2.805 2285 K HA 0.235 4.558 4.320 0.004 0.000 0.276 2285 K C 0.023 176.628 176.600 0.009 0.000 1.209 2285 K CA 0.018 56.312 56.287 0.012 0.000 1.065 2285 K CB 0.775 33.274 32.500 -0.002 0.000 1.363 2285 K HN -0.132 nan 8.250 nan 0.000 0.546 2286 R N 0.455 120.929 120.500 -0.043 0.000 2.237 2286 R HA -0.101 4.241 4.340 0.004 0.000 0.219 2286 R C 1.052 177.450 176.300 0.163 0.000 1.080 2286 R CA 1.652 57.722 56.100 -0.049 0.000 0.995 2286 R CB 0.076 30.181 30.300 -0.325 0.000 0.875 2286 R HN 0.529 nan 8.270 nan 0.000 0.462 2287 D N -0.496 119.950 120.400 0.076 0.000 2.363 2287 D HA -0.066 4.577 4.640 0.004 0.000 0.226 2287 D C -0.006 176.316 176.300 0.037 0.000 1.020 2287 D CA -0.038 54.016 54.000 0.090 0.000 0.892 2287 D CB -0.461 40.381 40.800 0.069 0.000 0.900 2287 D HN -0.003 nan 8.370 nan 0.000 0.531 2288 C N 1.454 120.713 119.300 -0.068 0.000 2.657 2288 C HA 0.302 4.765 4.460 0.004 0.000 0.420 2288 C C 1.190 176.148 174.990 -0.053 0.000 1.323 2288 C CA -0.948 57.892 59.018 -0.297 0.000 1.894 2288 C CB -1.008 26.100 27.740 -1.054 0.000 2.681 2288 C HN 0.410 nan 8.230 nan 0.000 0.613 2289 I N 0.711 121.194 120.570 -0.146 0.000 2.783 2289 I HA 0.614 4.787 4.170 0.004 0.000 0.312 2289 I C -0.290 175.915 176.117 0.147 0.000 0.988 2289 I CA -0.204 61.052 61.300 -0.074 0.000 1.182 2289 I CB 0.972 38.699 38.000 -0.454 0.000 1.368 2289 I HN 0.413 nan 8.210 nan 0.000 0.511 2290 D N 4.041 124.489 120.400 0.081 0.000 2.453 2290 D HA 0.409 5.051 4.640 0.004 0.000 0.238 2290 D C -0.817 175.350 176.300 -0.222 0.000 1.088 2290 D CA -0.370 53.580 54.000 -0.084 0.000 0.854 2290 D CB 0.980 41.867 40.800 0.144 0.000 1.076 2290 D HN 0.564 nan 8.370 nan 0.000 0.533 2291 I N 2.729 123.087 120.570 -0.354 0.000 2.322 2291 I HA 0.107 4.280 4.170 0.004 0.000 0.292 2291 I C 0.480 176.324 176.117 -0.454 0.000 1.060 2291 I CA -0.334 60.762 61.300 -0.340 0.000 1.309 2291 I CB 1.093 38.917 38.000 -0.292 0.000 1.415 2291 I HN 0.207 nan 8.210 nan 0.000 0.492 2292 S N 7.709 123.190 115.700 -0.365 0.000 2.442 2292 S HA 0.620 5.093 4.470 0.004 0.000 0.297 2292 S C -0.456 173.990 174.600 -0.258 0.000 1.131 2292 S CA -0.578 57.337 58.200 -0.476 0.000 1.092 2292 S CB 0.472 63.617 63.200 -0.092 0.000 0.998 2292 S HN 0.428 nan 8.310 nan 0.000 0.478 2293 I N 5.396 125.815 120.570 -0.252 0.000 2.354 2293 I HA 0.328 4.501 4.170 0.004 0.000 0.286 2293 I C -0.642 175.507 176.117 0.053 0.000 1.007 2293 I CA -0.724 60.546 61.300 -0.050 0.000 1.167 2293 I CB 1.006 39.004 38.000 -0.003 0.000 1.320 2293 I HN 0.562 nan 8.210 nan 0.000 0.458 2294 F N 6.657 126.577 119.950 -0.049 0.000 2.466 2294 F HA 0.289 4.819 4.527 0.005 0.000 0.363 2294 F C 0.478 176.269 175.800 -0.014 0.000 1.109 2294 F CA -0.131 57.851 58.000 -0.031 0.000 1.161 2294 F CB 0.685 39.663 39.000 -0.036 0.000 1.117 2294 F HN 0.344 nan 8.300 nan 0.000 0.539 2295 S N 5.253 120.745 115.700 -0.346 0.000 2.438 2295 S HA 0.589 5.061 4.470 0.004 0.000 0.316 2295 S C -0.378 173.892 174.600 -0.551 0.000 1.084 2295 S CA -0.254 57.726 58.200 -0.367 0.000 1.107 2295 S CB 0.563 63.661 63.200 -0.170 0.000 0.981 2295 S HN 0.878 nan 8.310 nan 0.000 0.466 2296 T N 4.971 119.182 114.554 -0.573 0.000 2.900 2296 T HA 0.581 4.934 4.350 0.004 0.000 0.303 2296 T C -3.033 171.515 174.700 -0.254 0.000 1.142 2296 T CA -1.719 60.094 62.100 -0.478 0.000 1.007 2296 T CB 1.332 69.753 68.868 -0.745 0.000 1.156 2296 T HN 0.290 nan 8.240 nan 0.000 0.490 2297 P HA 0.200 nan 4.420 nan 0.000 0.257 2297 P C 0.849 178.091 177.300 -0.097 0.000 1.162 2297 P CA 1.652 64.685 63.100 -0.112 0.000 0.762 2297 P CB 0.010 31.664 31.700 -0.077 0.000 0.753 2298 G N 2.120 110.863 108.800 -0.095 0.000 2.234 2298 G HA2 -0.170 3.793 3.960 0.004 0.000 0.235 2298 G HA3 -0.170 3.793 3.960 0.004 0.000 0.235 2298 G C 0.108 174.982 174.900 -0.043 0.000 0.997 2298 G CA 0.233 45.293 45.100 -0.067 0.000 0.623 2298 G HN 0.977 nan 8.290 nan 0.000 0.514 2299 S N -1.711 113.952 115.700 -0.060 0.000 2.587 2299 S HA 0.805 5.278 4.470 0.004 0.000 0.269 2299 S C -0.865 173.702 174.600 -0.056 0.000 1.154 2299 S CA 0.105 58.306 58.200 0.000 0.000 0.824 2299 S CB 2.171 65.466 63.200 0.159 0.000 1.118 2299 S HN 1.919 nan 8.310 nan 0.000 0.462 2300 V N -1.028 118.899 119.914 0.021 0.000 2.735 2300 V HA 0.956 5.079 4.120 0.004 0.000 0.310 2300 V C -0.644 175.532 176.094 0.137 0.000 1.061 2300 V CA -0.524 61.783 62.300 0.011 0.000 0.913 2300 V CB 1.482 33.307 31.823 0.004 0.000 1.005 2300 V HN 0.971 nan 8.190 nan 0.000 0.428 2301 S N 4.857 120.641 115.700 0.140 0.000 2.561 2301 S HA 0.822 5.294 4.470 0.004 0.000 0.303 2301 S C -0.805 173.865 174.600 0.116 0.000 1.110 2301 S CA -0.460 57.858 58.200 0.196 0.000 1.034 2301 S CB 1.285 64.626 63.200 0.235 0.000 1.010 2301 S HN 0.686 nan 8.310 nan 0.000 0.482 2302 L N 2.654 123.920 121.223 0.071 0.000 2.322 2302 L HA 0.660 5.003 4.340 0.004 0.000 0.281 2302 L C -0.004 176.831 176.870 -0.059 0.000 1.014 2302 L CA 0.053 54.888 54.840 -0.010 0.000 0.815 2302 L CB 1.768 43.813 42.059 -0.023 0.000 1.247 2302 L HN 0.559 nan 8.230 nan 0.000 0.421 2303 S N 1.490 117.100 115.700 -0.150 0.000 2.571 2303 S HA 0.862 5.335 4.470 0.004 0.000 0.284 2303 S C -0.718 173.560 174.600 -0.536 0.000 1.128 2303 S CA -0.711 57.297 58.200 -0.320 0.000 0.970 2303 S CB 1.969 64.978 63.200 -0.318 0.000 1.039 2303 S HN 0.682 nan 8.310 nan 0.000 0.485 2304 A N 2.507 124.951 122.820 -0.627 0.000 2.324 2304 A HA 0.866 5.189 4.320 0.004 0.000 0.330 2304 A C -1.533 175.594 177.584 -0.761 0.000 1.165 2304 A CA -0.493 51.201 52.037 -0.573 0.000 0.813 2304 A CB 0.504 19.276 19.000 -0.379 0.000 1.197 2304 A HN 0.765 nan 8.150 nan 0.000 0.484 2305 Y N 0.584 120.790 120.300 -0.156 0.000 2.512 2305 Y HA 0.411 4.963 4.550 0.003 0.000 0.348 2305 Y C 0.164 176.002 175.900 -0.103 0.000 0.990 2305 Y CA -0.682 57.356 58.100 -0.102 0.000 1.033 2305 Y CB 2.270 40.699 38.460 -0.052 0.000 1.259 2305 Y HN 0.809 nan 8.280 nan 0.000 0.461 2306 N N 1.148 119.914 118.700 0.110 0.000 2.466 2306 N HA 0.537 5.279 4.740 0.004 0.000 0.294 2306 N C -1.800 173.723 175.510 0.021 0.000 1.129 2306 N CA -0.741 52.347 53.050 0.063 0.000 0.931 2306 N CB 1.280 39.821 38.487 0.089 0.000 1.193 2306 N HN 0.370 nan 8.380 nan 0.000 0.500 2307 L N 1.493 122.678 121.223 -0.063 0.000 2.295 2307 L HA 0.429 4.771 4.340 0.004 0.000 0.285 2307 L C 0.283 177.156 176.870 0.005 0.000 1.035 2307 L CA -0.312 54.424 54.840 -0.173 0.000 0.806 2307 L CB 0.894 42.592 42.059 -0.602 0.000 1.214 2307 L HN 0.725 nan 8.230 nan 0.000 0.426 2308 T N -0.175 114.399 114.554 0.035 0.000 2.766 2308 T HA 0.129 4.482 4.350 0.004 0.000 0.295 2308 T C 0.815 175.623 174.700 0.180 0.000 1.024 2308 T CA -0.395 61.776 62.100 0.118 0.000 1.018 2308 T CB 0.511 69.443 68.868 0.107 0.000 1.002 2308 T HN 0.619 nan 8.240 nan 0.000 0.532 2309 D N 0.750 121.270 120.400 0.200 0.000 2.123 2309 D HA -0.089 4.554 4.640 0.004 0.000 0.196 2309 D C 1.996 178.365 176.300 0.115 0.000 0.992 2309 D CA 1.369 55.492 54.000 0.205 0.000 0.833 2309 D CB -0.201 40.674 40.800 0.124 0.000 0.954 2309 D HN 0.720 nan 8.370 nan 0.000 0.455 2310 E N 0.312 120.543 120.200 0.052 0.000 2.085 2310 E HA -0.110 4.243 4.350 0.004 0.000 0.194 2310 E C 2.157 178.507 176.600 -0.416 0.000 0.994 2310 E CA 1.241 57.617 56.400 -0.040 0.000 0.801 2310 E CB -0.657 29.113 29.700 0.117 0.000 0.743 2310 E HN 0.330 nan 8.360 nan 0.000 0.453 2311 G N -0.382 108.144 108.800 -0.457 0.000 2.421 2311 G HA2 -0.288 3.675 3.960 0.004 0.000 0.216 2311 G HA3 -0.288 3.675 3.960 0.004 0.000 0.216 2311 G C 1.254 175.963 174.900 -0.319 0.000 1.171 2311 G CA 0.888 45.567 45.100 -0.702 0.000 0.775 2311 G HN 0.271 nan 8.290 nan 0.000 0.543 2312 Y N 0.985 121.245 120.300 -0.065 0.000 2.128 2312 Y HA -0.183 4.368 4.550 0.003 0.000 0.284 2312 Y C 3.350 179.243 175.900 -0.012 0.000 1.154 2312 Y CA 1.503 59.616 58.100 0.022 0.000 1.149 2312 Y CB 0.015 38.510 38.460 0.059 0.000 0.976 2312 Y HN 0.131 nan 8.280 nan 0.000 0.505 2313 Q N -1.145 118.723 119.800 0.114 0.000 2.084 2313 Q HA -0.257 4.086 4.340 0.004 0.000 0.202 2313 Q C 2.040 178.065 176.000 0.043 0.000 0.978 2313 Q CA 1.693 57.535 55.803 0.064 0.000 0.844 2313 Q CB -1.245 27.525 28.738 0.054 0.000 0.898 2313 Q HN 0.732 nan 8.270 nan 0.000 0.426 2314 W N 1.622 122.805 121.300 -0.195 0.000 2.381 2314 W HA -0.046 4.616 4.660 0.004 0.000 0.301 2314 W C 2.217 178.700 176.519 -0.059 0.000 1.205 2314 W CA 1.995 59.252 57.345 -0.145 0.000 1.285 2314 W CB -0.583 28.699 29.460 -0.297 0.000 1.133 2314 W HN 0.202 nan 8.180 nan 0.000 0.521 2315 G N 0.169 109.006 108.800 0.062 0.000 2.418 2315 G HA2 -0.275 3.688 3.960 0.004 0.000 0.217 2315 G HA3 -0.275 3.688 3.960 0.004 0.000 0.217 2315 G C 1.336 176.149 174.900 -0.145 0.000 1.158 2315 G CA 1.126 46.206 45.100 -0.032 0.000 0.771 2315 G HN 0.226 nan 8.290 nan 0.000 0.545 2316 E N 0.735 120.894 120.200 -0.068 0.000 2.268 2316 E HA -0.053 4.300 4.350 0.004 0.000 0.195 2316 E C 2.142 178.660 176.600 -0.137 0.000 0.995 2316 E CA 0.477 56.836 56.400 -0.068 0.000 0.836 2316 E CB -0.021 29.674 29.700 -0.009 0.000 0.763 2316 E HN 0.442 nan 8.360 nan 0.000 0.491 2317 E N 0.466 120.528 120.200 -0.229 0.000 2.502 2317 E HA 0.034 4.386 4.350 0.004 0.000 0.194 2317 E C 0.037 176.439 176.600 -0.331 0.000 1.062 2317 E CA 0.113 56.359 56.400 -0.255 0.000 0.867 2317 E CB 0.044 29.590 29.700 -0.257 0.000 0.888 2317 E HN 0.203 nan 8.360 nan 0.000 0.510 2318 N N 1.369 119.828 118.700 -0.401 0.000 2.844 2318 N HA 0.109 4.851 4.740 0.004 0.000 0.268 2318 N C 0.725 176.108 175.510 -0.211 0.000 1.574 2318 N CA -0.161 52.672 53.050 -0.361 0.000 0.838 2318 N CB 1.060 39.192 38.487 -0.591 0.000 1.177 2318 N HN -0.114 nan 8.380 nan 0.000 0.495 2319 K N 0.298 120.611 120.400 -0.146 0.000 2.062 2319 K HA 0.018 4.340 4.320 0.004 0.000 0.205 2319 K C -0.135 176.420 176.600 -0.075 0.000 1.051 2319 K CA 1.084 57.312 56.287 -0.099 0.000 0.941 2319 K CB 0.196 32.649 32.500 -0.079 0.000 0.719 2319 K HN 0.344 nan 8.250 nan 0.000 0.440 2320 D N 0.085 120.444 120.400 -0.068 0.000 2.362 2320 D HA 0.211 4.854 4.640 0.004 0.000 0.247 2320 D C -0.859 175.408 176.300 -0.055 0.000 1.050 2320 D CA -0.451 53.520 54.000 -0.048 0.000 0.839 2320 D CB 1.768 42.549 40.800 -0.032 0.000 1.283 2320 D HN -0.122 nan 8.370 nan 0.000 0.477 2321 I N 2.878 123.418 120.570 -0.050 0.000 2.395 2321 I HA 0.512 4.684 4.170 0.004 0.000 0.289 2321 I C -1.231 174.843 176.117 -0.073 0.000 1.023 2321 I CA -0.344 60.922 61.300 -0.057 0.000 1.350 2321 I CB 0.780 38.751 38.000 -0.049 0.000 1.409 2321 I HN 0.453 nan 8.210 nan 0.000 0.507 2322 M N 7.723 127.289 119.600 -0.057 0.000 2.310 2322 M HA 0.236 4.718 4.480 0.004 0.000 0.242 2322 M C -0.148 176.135 176.300 -0.028 0.000 1.000 2322 M CA 0.011 55.277 55.300 -0.058 0.000 0.970 2322 M CB 0.754 33.326 32.600 -0.047 0.000 2.191 2322 M HN 0.576 nan 8.290 nan 0.000 0.470 2323 N N 2.044 120.727 118.700 -0.028 0.000 2.571 2323 N HA -0.009 4.733 4.740 0.004 0.000 0.189 2323 N C 0.130 175.644 175.510 0.007 0.000 1.154 2323 N CA 0.043 53.089 53.050 -0.007 0.000 0.907 2323 N CB 0.429 38.903 38.487 -0.020 0.000 0.977 2323 N HN 0.506 nan 8.380 nan 0.000 0.449 2324 V N 2.369 122.285 119.914 0.003 0.000 2.106 2324 V HA 0.081 4.204 4.120 0.004 0.000 0.235 2324 V C -0.058 176.053 176.094 0.027 0.000 1.454 2324 V CA 0.504 62.812 62.300 0.014 0.000 1.458 2324 V CB -0.884 30.944 31.823 0.008 0.000 1.506 2324 V HN 0.225 nan 8.190 nan 0.000 0.498 2325 L N 2.647 123.898 121.223 0.047 0.000 2.469 2325 L HA 0.379 4.722 4.340 0.004 0.000 0.258 2325 L C 1.010 177.958 176.870 0.131 0.000 0.656 2325 L CA 0.767 55.655 54.840 0.080 0.000 1.226 2325 L CB 0.338 42.437 42.059 0.068 0.000 1.639 2325 L HN 0.389 nan 8.230 nan 0.000 0.368 2326 S N -0.205 115.630 115.700 0.225 0.000 3.261 2326 S HA -0.166 4.306 4.470 0.004 0.000 0.287 2326 S C -0.144 174.676 174.600 0.367 0.000 1.281 2326 S CA 1.182 59.579 58.200 0.328 0.000 1.053 2326 S CB -1.702 61.568 63.200 0.116 0.000 1.251 2326 S HN 0.583 nan 8.310 nan 0.000 0.659 2327 E N 0.640 121.038 120.200 0.329 0.000 2.480 2327 E HA 0.313 4.666 4.350 0.004 0.000 0.258 2327 E C 1.303 178.186 176.600 0.472 0.000 0.984 2327 E CA 0.733 57.308 56.400 0.291 0.000 0.930 2327 E CB 0.168 29.993 29.700 0.209 0.000 0.936 2327 E HN 0.672 nan 8.360 nan 0.000 0.466 2328 G N 3.648 112.615 108.800 0.278 0.000 2.179 2328 G HA2 -0.330 3.633 3.960 0.004 0.000 0.260 2328 G HA3 -0.330 3.633 3.960 0.004 0.000 0.260 2328 G C 0.054 174.817 174.900 -0.228 0.000 0.977 2328 G CA 0.067 45.296 45.100 0.215 0.000 0.641 2328 G HN 0.560 nan 8.290 nan 0.000 0.533 2329 F N 2.357 122.037 119.950 -0.450 0.000 2.538 2329 F HA 0.534 5.064 4.527 0.006 0.000 0.371 2329 F C 0.183 175.477 175.800 -0.843 0.000 1.087 2329 F CA -0.349 57.091 58.000 -0.933 0.000 1.250 2329 F CB 0.692 39.343 39.000 -0.583 0.000 1.110 2329 F HN 0.064 nan 8.300 nan 0.000 0.570 2330 E N 7.784 126.575 120.200 -2.348 0.000 2.218 2330 E HA 0.219 4.572 4.350 0.004 0.000 0.263 2330 E C -2.073 173.232 176.600 -2.157 0.000 0.879 2330 E CA -1.890 53.259 56.400 -2.085 0.000 0.762 2330 E CB 1.621 30.111 29.700 -2.015 0.000 1.166 2330 E HN 0.364 nan 8.360 nan 0.000 0.415 2331 P HA -0.151 nan 4.420 nan 0.000 0.218 2331 P C 1.123 177.919 177.300 -0.840 0.000 1.146 2331 P CA 1.449 63.692 63.100 -1.430 0.000 0.813 2331 P CB 0.157 30.817 31.700 -1.733 0.000 0.778 2332 T N -5.489 108.622 114.554 -0.739 0.000 3.160 2332 T HA 0.011 4.364 4.350 0.004 0.000 0.257 2332 T C 1.193 175.760 174.700 -0.221 0.000 1.147 2332 T CA 0.133 61.994 62.100 -0.398 0.000 1.064 2332 T CB -1.074 67.597 68.868 -0.328 0.000 0.949 2332 T HN -0.118 nan 8.240 nan 0.000 0.526 2333 F N 3.417 123.161 119.950 -0.343 0.000 2.408 2333 F HA 0.149 4.678 4.527 0.003 0.000 0.300 2333 F C 1.547 177.268 175.800 -0.132 0.000 1.090 2333 F CA -0.679 57.183 58.000 -0.230 0.000 1.427 2333 F CB -0.754 38.083 39.000 -0.271 0.000 1.070 2333 F HN 0.304 nan 8.300 nan 0.000 0.549 2334 S N -1.300 114.434 115.700 0.056 0.000 2.568 2334 S HA 0.722 5.194 4.470 0.004 0.000 0.302 2334 S C -0.157 174.510 174.600 0.111 0.000 1.082 2334 S CA -0.589 57.644 58.200 0.055 0.000 1.009 2334 S CB 2.371 65.548 63.200 -0.038 0.000 1.069 2334 S HN 0.110 nan 8.310 nan 0.000 0.500 2335 T N -1.354 113.302 114.554 0.170 0.000 2.924 2335 T HA 0.450 4.803 4.350 0.004 0.000 0.291 2335 T C -0.478 174.393 174.700 0.285 0.000 1.045 2335 T CA -0.756 61.466 62.100 0.203 0.000 1.015 2335 T CB 1.101 70.050 68.868 0.135 0.000 1.103 2335 T HN 0.834 nan 8.240 nan 0.000 0.496 2336 H N 1.087 120.249 119.070 0.154 0.000 2.848 2336 H HA 0.499 5.057 4.556 0.003 0.000 0.317 2336 H C -0.292 175.049 175.328 0.022 0.000 1.046 2336 H CA -0.040 56.046 56.048 0.063 0.000 1.470 2336 H CB 0.449 30.232 29.762 0.035 0.000 1.483 2336 H HN 0.942 nan 8.280 nan 0.000 0.548 2337 A N 4.827 127.349 122.820 -0.497 0.000 2.311 2337 A HA 0.313 4.636 4.320 0.004 0.000 0.334 2337 A C -0.361 176.889 177.584 -0.557 0.000 1.139 2337 A CA -0.821 51.013 52.037 -0.339 0.000 0.830 2337 A CB 1.102 19.996 19.000 -0.177 0.000 1.234 2337 A HN 0.864 nan 8.150 nan 0.000 0.483 2338 Q N 0.264 119.982 119.800 -0.136 0.000 2.294 2338 Q HA 0.476 4.818 4.340 0.004 0.000 0.257 2338 Q C -1.289 174.742 176.000 0.051 0.000 0.955 2338 Q CA -0.214 55.581 55.803 -0.013 0.000 0.936 2338 Q CB 1.414 30.217 28.738 0.108 0.000 1.188 2338 Q HN 0.522 nan 8.270 nan 0.000 0.420 2339 L N 4.022 125.248 121.223 0.004 0.000 2.386 2339 L HA 0.579 4.922 4.340 0.004 0.000 0.271 2339 L C -1.741 175.146 176.870 0.028 0.000 0.993 2339 L CA -0.493 54.358 54.840 0.019 0.000 0.819 2339 L CB 1.609 43.632 42.059 -0.060 0.000 1.294 2339 L HN 0.564 nan 8.230 nan 0.000 0.414 2340 L N 4.736 125.975 121.223 0.027 0.000 2.381 2340 L HA 0.539 4.881 4.340 0.004 0.000 0.268 2340 L C -1.130 175.743 176.870 0.005 0.000 0.997 2340 L CA -0.871 53.977 54.840 0.014 0.000 0.818 2340 L CB 2.089 44.152 42.059 0.007 0.000 1.310 2340 L HN 0.488 nan 8.230 nan 0.000 0.416 2341 L N 1.909 123.131 121.223 -0.001 0.000 2.307 2341 L HA 0.637 4.979 4.340 0.004 0.000 0.282 2341 L C -0.212 176.655 176.870 -0.006 0.000 1.051 2341 L CA 0.482 55.320 54.840 -0.005 0.000 0.804 2341 L CB 1.680 43.735 42.059 -0.007 0.000 1.197 2341 L HN 0.584 nan 8.230 nan 0.000 0.431 2342 S N 2.004 117.701 115.700 -0.004 0.000 2.619 2342 S HA 0.397 4.869 4.470 0.004 0.000 0.280 2342 S C -0.305 174.295 174.600 -0.001 0.000 1.150 2342 S CA -0.564 57.633 58.200 -0.005 0.000 0.978 2342 S CB 0.870 64.067 63.200 -0.006 0.000 1.041 2342 S HN 0.765 nan 8.310 nan 0.000 0.485 2343 D N 3.585 123.985 120.400 -0.000 0.000 2.342 2343 D HA 0.100 4.742 4.640 0.004 0.000 0.221 2343 D C 0.988 177.290 176.300 0.003 0.000 1.101 2343 D CA -0.148 53.855 54.000 0.004 0.000 0.837 2343 D CB 0.023 40.826 40.800 0.005 0.000 0.938 2343 D HN 0.462 nan 8.370 nan 0.000 0.508 2344 R N 0.158 120.657 120.500 -0.001 0.000 2.300 2344 R HA 0.294 4.636 4.340 0.004 0.000 0.199 2344 R C 0.668 176.968 176.300 0.000 0.000 0.920 2344 R CA 0.202 56.301 56.100 -0.001 0.000 1.046 2344 R CB 0.217 30.514 30.300 -0.005 0.000 0.984 2344 R HN 0.379 nan 8.270 nan 0.000 0.493 2345 I N -4.694 115.877 120.570 0.001 0.000 3.042 2345 I HA 0.549 4.722 4.170 0.004 0.000 0.310 2345 I C -0.558 175.561 176.117 0.004 0.000 1.117 2345 I CA -0.963 60.338 61.300 0.002 0.000 1.003 2345 I CB 2.495 40.495 38.000 0.000 0.000 1.228 2345 I HN -0.344 nan 8.210 nan 0.000 0.443 2346 T N 1.254 115.809 114.554 0.003 0.000 2.916 2346 T HA 0.845 5.197 4.350 0.004 0.000 0.292 2346 T C -0.454 174.242 174.700 -0.007 0.000 1.055 2346 T CA -0.358 61.745 62.100 0.005 0.000 1.009 2346 T CB 1.783 70.659 68.868 0.013 0.000 1.118 2346 T HN 1.126 nan 8.240 nan 0.000 0.497 2347 G N 1.556 110.346 108.800 -0.018 0.000 2.766 2347 G HA2 0.688 4.650 3.960 0.004 0.000 0.288 2347 G HA3 0.688 4.650 3.960 0.004 0.000 0.288 2347 G C -1.418 173.449 174.900 -0.055 0.000 1.408 2347 G CA -0.934 44.135 45.100 -0.052 0.000 0.852 2347 G HN 0.973 nan 8.290 nan 0.000 0.487 2348 N N -1.901 116.751 118.700 -0.080 0.000 2.761 2348 N HA 0.673 5.416 4.740 0.004 0.000 0.283 2348 N C -1.713 173.703 175.510 -0.156 0.000 1.377 2348 N CA -0.807 52.244 53.050 0.002 0.000 0.791 2348 N CB 2.071 40.641 38.487 0.139 0.000 1.540 2348 N HN 0.275 nan 8.380 nan 0.000 0.539 2349 F N 0.161 120.216 119.950 0.176 0.000 2.495 2349 F HA 0.560 5.090 4.527 0.005 0.000 0.327 2349 F C -0.002 175.878 175.800 0.133 0.000 1.103 2349 F CA -0.765 57.318 58.000 0.138 0.000 0.949 2349 F CB 1.727 40.797 39.000 0.116 0.000 1.142 2349 F HN 0.238 nan 8.300 nan 0.000 0.457 2350 I N 4.699 125.381 120.570 0.188 0.000 2.412 2350 I HA 0.512 4.685 4.170 0.004 0.000 0.296 2350 I C -0.345 175.900 176.117 0.213 0.000 0.987 2350 I CA -0.725 60.602 61.300 0.046 0.000 1.180 2350 I CB 1.442 39.307 38.000 -0.224 0.000 1.340 2350 I HN 0.493 nan 8.210 nan 0.000 0.455 2351 I N 3.755 124.480 120.570 0.259 0.000 3.108 2351 I HA 0.700 4.873 4.170 0.004 0.000 0.312 2351 I C -2.789 173.542 176.117 0.357 0.000 1.095 2351 I CA -2.907 58.580 61.300 0.312 0.000 1.000 2351 I CB 1.856 39.996 38.000 0.233 0.000 1.229 2351 I HN 0.177 nan 8.210 nan 0.000 0.454 2352 P HA 0.066 nan 4.420 nan 0.000 0.269 2352 P C 0.658 177.951 177.300 -0.012 0.000 1.209 2352 P CA -0.100 62.961 63.100 -0.064 0.000 0.776 2352 P CB 0.828 32.528 31.700 -0.001 0.000 0.876 2353 S N 1.598 117.238 115.700 -0.101 0.000 2.400 2353 S HA -0.126 4.346 4.470 0.004 0.000 0.232 2353 S C 1.844 176.464 174.600 0.033 0.000 1.025 2353 S CA 1.408 59.603 58.200 -0.008 0.000 0.993 2353 S CB -1.511 61.675 63.200 -0.024 0.000 0.808 2353 S HN 0.587 nan 8.310 nan 0.000 0.478 2354 G N 0.533 109.361 108.800 0.046 0.000 3.233 2354 G HA2 0.268 4.231 3.960 0.004 0.000 0.227 2354 G HA3 0.268 4.231 3.960 0.004 0.000 0.227 2354 G C 0.529 175.470 174.900 0.068 0.000 1.175 2354 G CA 0.145 45.283 45.100 0.064 0.000 0.781 2354 G HN 0.481 nan 8.290 nan 0.000 0.542 2355 N N -1.421 117.333 118.700 0.090 0.000 1.904 2355 N HA -0.225 4.518 4.740 0.004 0.000 0.217 2355 N C 1.077 176.695 175.510 0.181 0.000 1.020 2355 N CA 1.644 54.766 53.050 0.119 0.000 3.606 2355 N CB -1.689 36.834 38.487 0.061 0.000 0.733 2355 N HN 0.686 nan 8.380 nan 0.000 0.351 2356 V N 0.567 120.538 119.914 0.095 0.000 2.673 2356 V HA 0.258 4.380 4.120 0.004 0.000 0.303 2356 V C 1.475 177.701 176.094 0.221 0.000 1.046 2356 V CA 0.682 63.026 62.300 0.074 0.000 1.126 2356 V CB 0.433 32.187 31.823 -0.117 0.000 0.934 2356 V HN 0.590 nan 8.190 nan 0.000 0.487 2357 W N 3.040 124.446 121.300 0.177 0.000 2.977 2357 W HA 0.327 4.990 4.660 0.005 0.000 0.236 2357 W C 0.330 176.778 176.519 -0.119 0.000 1.053 2357 W CA 0.072 57.468 57.345 0.085 0.000 1.375 2357 W CB -0.276 29.259 29.460 0.125 0.000 0.814 2357 W HN 0.622 nan 8.180 nan 0.000 0.713 2358 N N 1.631 119.512 118.700 -1.364 0.000 2.469 2358 N HA 0.084 4.827 4.740 0.004 0.000 0.239 2358 N C -0.878 174.062 175.510 -0.951 0.000 1.053 2358 N CA -0.239 51.916 53.050 -1.492 0.000 0.937 2358 N CB -0.142 36.734 38.487 -2.685 0.000 1.163 2358 N HN -0.010 nan 8.380 nan 0.000 0.509 2359 Y N 1.526 121.505 120.300 -0.535 0.000 2.524 2359 Y HA 0.154 4.707 4.550 0.004 0.000 0.266 2359 Y C 1.891 177.537 175.900 -0.423 0.000 1.180 2359 Y CA -0.127 57.750 58.100 -0.371 0.000 1.244 2359 Y CB 0.247 38.529 38.460 -0.296 0.000 1.125 2359 Y HN 0.449 nan 8.280 nan 0.000 0.524 2360 T N -0.151 114.116 114.554 -0.478 0.000 2.721 2360 T HA -0.232 4.120 4.350 0.004 0.000 0.268 2360 T C 0.914 175.191 174.700 -0.705 0.000 1.038 2360 T CA 1.825 63.518 62.100 -0.679 0.000 1.145 2360 T CB -0.362 67.945 68.868 -0.935 0.000 0.858 2360 T HN 0.314 nan 8.240 nan 0.000 0.459 2361 F N -0.400 119.488 119.950 -0.103 0.000 2.654 2361 F HA 0.477 5.007 4.527 0.005 0.000 0.303 2361 F C 0.935 176.738 175.800 0.004 0.000 1.099 2361 F CA -0.219 57.784 58.000 0.005 0.000 1.270 2361 F CB 0.088 39.157 39.000 0.115 0.000 1.024 2361 F HN -0.010 nan 8.300 nan 0.000 0.548 2362 M N -0.071 119.596 119.600 0.111 0.000 3.101 2362 M HA 0.300 4.783 4.480 0.004 0.000 0.307 2362 M C 1.539 177.983 176.300 0.240 0.000 1.315 2362 M CA -0.145 55.255 55.300 0.166 0.000 0.734 2362 M CB 0.580 33.264 32.600 0.140 0.000 1.392 2362 M HN 0.187 nan 8.290 nan 0.000 0.496 2363 G N 0.859 109.752 108.800 0.155 0.000 2.422 2363 G HA2 -0.227 3.736 3.960 0.004 0.000 0.218 2363 G HA3 -0.227 3.736 3.960 0.004 0.000 0.218 2363 G C 1.551 176.577 174.900 0.209 0.000 1.146 2363 G CA 1.902 47.101 45.100 0.165 0.000 0.769 2363 G HN 0.553 nan 8.290 nan 0.000 0.547 2364 T N -1.274 113.383 114.554 0.171 0.000 2.962 2364 T HA 0.245 4.598 4.350 0.004 0.000 0.270 2364 T C 2.308 177.106 174.700 0.163 0.000 1.088 2364 T CA 1.549 63.738 62.100 0.147 0.000 1.127 2364 T CB -0.116 68.826 68.868 0.123 0.000 0.883 2364 T HN 0.327 nan 8.240 nan 0.000 0.493 2365 A N 0.169 123.129 122.820 0.234 0.000 2.195 2365 A HA 0.437 4.760 4.320 0.004 0.000 0.210 2365 A C 0.576 178.284 177.584 0.206 0.000 1.165 2365 A CA -0.535 51.656 52.037 0.256 0.000 0.806 2365 A CB -0.510 18.706 19.000 0.361 0.000 0.847 2365 A HN 0.508 nan 8.150 nan 0.000 0.482 2366 F N 1.684 121.618 119.950 -0.027 0.000 2.529 2366 F HA 0.380 4.909 4.527 0.004 0.000 0.365 2366 F C 0.101 175.829 175.800 -0.120 0.000 1.102 2366 F CA -0.988 56.835 58.000 -0.296 0.000 1.271 2366 F CB 0.409 39.300 39.000 -0.182 0.000 1.120 2366 F HN 0.145 nan 8.300 nan 0.000 0.579 2367 N N 5.546 123.855 118.700 -0.651 0.000 2.746 2367 N HA 0.090 4.832 4.740 0.004 0.000 0.250 2367 N C 0.571 175.617 175.510 -0.773 0.000 1.146 2367 N CA -0.189 52.530 53.050 -0.551 0.000 0.828 2367 N CB 0.843 39.126 38.487 -0.341 0.000 1.158 2367 N HN 0.906 nan 8.380 nan 0.000 0.519 2368 Q N 0.993 120.193 119.800 -1.001 0.000 2.135 2368 Q HA -0.075 4.268 4.340 0.004 0.000 0.204 2368 Q C 0.109 175.959 176.000 -0.251 0.000 0.981 2368 Q CA 1.446 56.820 55.803 -0.715 0.000 0.856 2368 Q CB 0.342 28.884 28.738 -0.327 0.000 0.902 2368 Q HN 0.441 nan 8.270 nan 0.000 0.425 2369 E N 0.098 120.169 120.200 -0.215 0.000 2.368 2369 E HA 0.129 4.482 4.350 0.004 0.000 0.188 2369 E C -0.167 176.346 176.600 -0.146 0.000 1.061 2369 E CA 0.138 56.463 56.400 -0.125 0.000 0.933 2369 E CB 0.266 29.902 29.700 -0.107 0.000 1.091 2369 E HN 0.329 nan 8.360 nan 0.000 0.458 2370 G N 1.020 109.696 108.800 -0.206 0.000 2.483 2370 G HA2 0.018 3.980 3.960 0.004 0.000 0.248 2370 G HA3 0.018 3.980 3.960 0.004 0.000 0.248 2370 G C -0.344 174.383 174.900 -0.288 0.000 1.248 2370 G CA -0.385 44.478 45.100 -0.395 0.000 0.838 2370 G HN -0.046 nan 8.290 nan 0.000 0.566 2371 D N 0.623 120.835 120.400 -0.312 0.000 2.524 2371 D HA 0.263 4.905 4.640 0.004 0.000 0.222 2371 D C -0.498 175.697 176.300 -0.175 0.000 1.142 2371 D CA -0.344 53.572 54.000 -0.139 0.000 0.973 2371 D CB -0.294 40.446 40.800 -0.100 0.000 1.025 2371 D HN 0.248 nan 8.370 nan 0.000 0.519 2372 Y N 1.571 121.884 120.300 0.022 0.000 2.307 2372 Y HA 0.307 4.859 4.550 0.004 0.000 0.324 2372 Y C 1.274 177.047 175.900 -0.212 0.000 1.238 2372 Y CA -0.537 57.484 58.100 -0.131 0.000 1.280 2372 Y CB 0.834 39.151 38.460 -0.239 0.000 1.248 2372 Y HN 0.198 nan 8.280 nan 0.000 0.508 2373 N N 1.500 120.093 118.700 -0.178 0.000 2.466 2373 N HA 0.442 5.184 4.740 0.004 0.000 0.294 2373 N C -1.479 173.730 175.510 -0.501 0.000 1.129 2373 N CA -0.343 52.608 53.050 -0.164 0.000 0.931 2373 N CB 1.385 39.847 38.487 -0.041 0.000 1.193 2373 N HN 0.396 nan 8.380 nan 0.000 0.500 2374 F N 0.027 120.016 119.950 0.064 0.000 2.603 2374 F HA 0.481 5.011 4.527 0.005 0.000 0.317 2374 F C 0.175 175.970 175.800 -0.009 0.000 1.066 2374 F CA -0.848 57.169 58.000 0.029 0.000 0.941 2374 F CB 2.017 41.010 39.000 -0.012 0.000 1.291 2374 F HN 0.329 nan 8.300 nan 0.000 0.472 2375 K N 0.028 120.527 120.400 0.165 0.000 2.556 2375 K HA 0.501 4.824 4.320 0.004 0.000 0.274 2375 K C -2.039 174.581 176.600 0.033 0.000 0.966 2375 K CA -1.015 55.321 56.287 0.081 0.000 0.865 2375 K CB 1.507 34.075 32.500 0.113 0.000 1.444 2375 K HN 0.505 nan 8.250 nan 0.000 0.433 2376 Y N 0.384 120.758 120.300 0.123 0.000 2.597 2376 Y HA 0.401 4.954 4.550 0.004 0.000 0.336 2376 Y C 1.186 177.164 175.900 0.130 0.000 1.216 2376 Y CA 1.786 59.959 58.100 0.122 0.000 1.463 2376 Y CB 1.249 39.762 38.460 0.090 0.000 1.303 2376 Y HN 0.914 nan 8.280 nan 0.000 0.576 2377 G N 1.896 110.884 108.800 0.312 0.000 2.342 2377 G HA2 0.420 4.382 3.960 0.004 0.000 0.297 2377 G HA3 0.420 4.382 3.960 0.004 0.000 0.297 2377 G C -1.963 173.057 174.900 0.199 0.000 1.313 2377 G CA -1.145 44.087 45.100 0.221 0.000 0.830 2377 G HN 0.472 nan 8.290 nan 0.000 0.506 2378 I N 2.646 123.289 120.570 0.122 0.000 2.304 2378 I HA 0.326 4.499 4.170 0.004 0.000 0.291 2378 I C -1.770 174.351 176.117 0.007 0.000 1.018 2378 I CA -1.790 59.536 61.300 0.044 0.000 1.260 2378 I CB 1.913 39.938 38.000 0.041 0.000 1.390 2378 I HN 0.194 nan 8.210 nan 0.000 0.475 2379 P HA 0.207 nan 4.420 nan 0.000 0.275 2379 P C -0.543 176.820 177.300 0.106 0.000 1.227 2379 P CA -0.256 62.822 63.100 -0.037 0.000 0.781 2379 P CB 0.885 32.392 31.700 -0.321 0.000 0.906 2380 L N 2.123 123.539 121.223 0.323 0.000 2.464 2380 L HA 0.169 4.512 4.340 0.004 0.000 0.264 2380 L C 1.620 178.785 176.870 0.492 0.000 1.199 2380 L CA -0.527 54.492 54.840 0.298 0.000 0.818 2380 L CB 0.034 42.165 42.059 0.120 0.000 1.102 2380 L HN 0.494 nan 8.230 nan 0.000 0.473 2381 E N 1.567 121.941 120.200 0.290 0.000 2.371 2381 E HA -0.046 4.307 4.350 0.004 0.000 0.257 2381 E C 0.611 177.405 176.600 0.323 0.000 1.134 2381 E CA -0.362 56.228 56.400 0.316 0.000 0.919 2381 E CB 0.796 30.607 29.700 0.186 0.000 1.025 2381 E HN 0.537 nan 8.360 nan 0.000 0.438 2382 F N 1.522 121.539 119.950 0.112 0.000 2.095 2382 F HA -0.197 4.333 4.527 0.004 0.000 0.298 2382 F C 1.268 176.859 175.800 -0.348 0.000 1.104 2382 F CA 1.478 59.338 58.000 -0.232 0.000 1.232 2382 F CB -0.106 38.762 39.000 -0.220 0.000 0.987 2382 F HN 0.472 nan 8.300 nan 0.000 0.475 2383 Y N 0.312 120.629 120.300 0.030 0.000 2.583 2383 Y HA 0.104 4.657 4.550 0.005 0.000 0.294 2383 Y C 0.791 176.667 175.900 -0.040 0.000 1.170 2383 Y CA -0.599 57.344 58.100 -0.261 0.000 1.265 2383 Y CB -0.889 37.263 38.460 -0.513 0.000 1.119 2383 Y HN -0.026 nan 8.280 nan 0.000 0.522 2384 N N 1.663 120.443 118.700 0.132 0.000 2.356 2384 N HA -0.131 4.611 4.740 0.004 0.000 0.252 2384 N C 1.009 176.594 175.510 0.125 0.000 1.241 2384 N CA 0.367 53.450 53.050 0.055 0.000 0.861 2384 N CB 0.783 39.194 38.487 -0.128 0.000 1.075 2384 N HN 0.367 nan 8.380 nan 0.000 0.461 2385 E N 2.923 123.202 120.200 0.131 0.000 2.209 2385 E HA -0.166 4.186 4.350 0.004 0.000 0.196 2385 E C 1.548 178.138 176.600 -0.016 0.000 0.993 2385 E CA 0.983 57.457 56.400 0.123 0.000 0.819 2385 E CB -0.030 29.703 29.700 0.055 0.000 0.745 2385 E HN 0.659 nan 8.360 nan 0.000 0.477 2386 M N -0.378 119.145 119.600 -0.128 0.000 2.446 2386 M HA -0.115 4.368 4.480 0.004 0.000 0.263 2386 M C 1.218 177.374 176.300 -0.241 0.000 1.066 2386 M CA 1.267 56.441 55.300 -0.209 0.000 1.087 2386 M CB -0.975 31.456 32.600 -0.281 0.000 1.406 2386 M HN 0.242 nan 8.290 nan 0.000 0.459 2387 H N -1.398 117.614 119.070 -0.096 0.000 2.539 2387 H HA 0.160 4.719 4.556 0.005 0.000 0.269 2387 H C 0.822 176.147 175.328 -0.006 0.000 0.980 2387 H CA -0.312 55.640 56.048 -0.159 0.000 1.152 2387 H CB 0.356 29.924 29.762 -0.324 0.000 1.407 2387 H HN 0.212 nan 8.280 nan 0.000 0.564 2388 R N 2.966 123.464 120.500 -0.004 0.000 2.389 2388 R HA 0.113 4.456 4.340 0.004 0.000 0.295 2388 R C -2.470 173.679 176.300 -0.251 0.000 1.075 2388 R CA -1.815 54.024 56.100 -0.434 0.000 1.005 2388 R CB 0.457 30.291 30.300 -0.777 0.000 0.987 2388 R HN 0.036 nan 8.270 nan 0.000 0.452 2389 P HA 0.021 nan 4.420 nan 0.000 0.271 2389 P C -0.889 176.337 177.300 -0.124 0.000 1.216 2389 P CA -0.162 62.885 63.100 -0.089 0.000 0.771 2389 P CB 1.136 32.822 31.700 -0.023 0.000 0.864 2390 V N 0.304 120.185 119.914 -0.056 0.000 3.040 2390 V HA 0.598 4.720 4.120 0.004 0.000 0.312 2390 V C -0.693 175.391 176.094 -0.017 0.000 1.115 2390 V CA -0.804 61.435 62.300 -0.101 0.000 0.998 2390 V CB 2.354 34.087 31.823 -0.151 0.000 1.042 2390 V HN 0.712 nan 8.190 nan 0.000 0.433 2391 H N 1.526 120.436 119.070 -0.268 0.000 2.637 2391 H HA 0.691 5.250 4.556 0.004 0.000 0.363 2391 H C -2.116 172.978 175.328 -0.391 0.000 1.131 2391 H CA -0.703 55.241 56.048 -0.173 0.000 1.183 2391 H CB 2.098 31.804 29.762 -0.093 0.000 1.637 2391 H HN 0.671 nan 8.280 nan 0.000 0.531 2392 F N 3.027 122.677 119.950 -0.499 0.000 2.551 2392 F HA 0.349 4.878 4.527 0.004 0.000 0.316 2392 F C -0.365 175.171 175.800 -0.441 0.000 1.089 2392 F CA -0.810 56.982 58.000 -0.347 0.000 0.915 2392 F CB 1.737 40.621 39.000 -0.193 0.000 1.186 2392 F HN 0.235 nan 8.300 nan 0.000 0.456 2393 L N 2.639 123.879 121.223 0.028 0.000 2.292 2393 L HA 0.435 4.778 4.340 0.004 0.000 0.284 2393 L C -0.304 176.743 176.870 0.296 0.000 1.065 2393 L CA -0.525 54.413 54.840 0.163 0.000 0.806 2393 L CB 1.460 43.686 42.059 0.278 0.000 1.175 2393 L HN 0.613 nan 8.230 nan 0.000 0.431 2394 Q N 3.390 123.369 119.800 0.298 0.000 2.282 2394 Q HA 0.482 4.825 4.340 0.004 0.000 0.260 2394 Q C -1.743 174.657 176.000 0.666 0.000 0.964 2394 Q CA -0.632 55.342 55.803 0.285 0.000 0.880 2394 Q CB 1.300 30.110 28.738 0.120 0.000 1.286 2394 Q HN 0.413 nan 8.270 nan 0.000 0.445 2395 F N 2.433 122.379 119.950 -0.007 0.000 2.532 2395 F HA 0.387 4.916 4.527 0.004 0.000 0.365 2395 F C -0.079 175.713 175.800 -0.012 0.000 1.112 2395 F CA -1.294 56.703 58.000 -0.006 0.000 1.082 2395 F CB 0.523 39.522 39.000 -0.002 0.000 1.319 2395 F HN 0.535 nan 8.300 nan 0.000 0.457 2396 S N 0.000 115.794 115.700 0.156 0.000 2.498 2396 S HA 0.000 4.473 4.470 0.004 0.000 0.327 2396 S CA 0.000 58.246 58.200 0.076 0.000 1.107 2396 S CB 0.000 63.224 63.200 0.040 0.000 0.593 2396 S HN 0.000 nan 8.310 nan 0.000 0.517