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 2wjs_1_A DATA FIRST_RESID 2142 DATA SEQUENCE VSVSXXXXcV RTYRPEIKKG SYNNIVVHVK TAVADNLLFY LGSAKFIDFL DATA SEQUENCE AIEMRKGKVS FLWDVGSGVG RVEYPDLTID DSYWYRIEAS RTGRNGSISV DATA SEQUENCE RALDGPKASM VPSTYHSVSP PGYTILDVDA NAMLFVGGLT GKIKKADAVR DATA SEQUENCE VITFTGcMGE TYFDNKPIXX XXFREKEGDc KGcXXXXXXX XSEGTIQFDG DATA SEQUENCE EGYALVSRPI RWYPNISTVM FKFRTFSSSA LLMYLATRDL KDFMSVELSD DATA SEQUENCE GHVKVSYDLG SGMTSVVSNQ NHNDGKWKAF TLSRIQKQAN ISIVDIDSNQ DATA SEQUENCE EENVATSSSG NNFGLDLKAD DKIYFGGLPT LRNLXXXXRP EVNVKKYSGc DATA SEQUENCE LKDIEISRTP YNILSSPDYV GVTKGcSLEN VYTVSFPKPG FVELAAVSID DATA SEQUENCE VGTEINLSFS TRNESGIILL GSXXXXXXXX XXXXXXXQAY YAIFLNKGRL DATA SEQUENCE EVHLSSXXXX MRKIVIKPEP NRFHDGREHS VHVERTRGIF TVQIDEDRRH DATA SEQUENCE MQNLTEEQPI EVKKLFVGGA PPXXXXXXXX NIPAFQGcVW NLVINSIPMD DATA SEQUENCE FAQPIAFKNA DIGRcTY 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 2142 V HA 0.000 nan 4.120 nan 0.000 0.244 2142 V C 0.000 176.218 176.094 0.206 0.000 1.182 2142 V CA 0.000 62.450 62.300 0.249 0.000 1.235 2142 V CB 0.000 31.971 31.823 0.246 0.000 1.184 2143 S N 2.621 118.469 115.700 0.246 0.000 2.689 2143 S HA 0.814 5.284 4.470 0.000 0.000 0.274 2143 S C -0.075 174.658 174.600 0.222 0.000 1.176 2143 S CA 0.285 58.606 58.200 0.201 0.000 1.014 2143 S CB 1.312 64.630 63.200 0.196 0.000 1.071 2143 S HN 2.295 nan 8.310 nan 0.000 0.478 2144 V N 2.932 122.939 119.914 0.156 0.000 5.049 2144 V HA 0.773 4.893 4.120 0.000 0.000 0.272 2144 V C 1.228 177.389 176.094 0.111 0.000 1.299 2144 V CA 0.251 62.621 62.300 0.117 0.000 0.684 2144 V CB -0.707 31.149 31.823 0.054 0.000 1.251 2144 V HN 1.286 nan 8.190 nan 0.000 0.380 2151 V N 3.904 123.874 119.914 0.093 0.000 2.709 2151 V HA 0.766 4.886 4.120 0.000 0.000 0.308 2151 V C -0.497 175.659 176.094 0.104 0.000 1.062 2151 V CA -0.714 61.663 62.300 0.128 0.000 0.901 2151 V CB 1.705 33.613 31.823 0.141 0.000 1.003 2151 V HN 0.866 nan 8.190 nan 0.000 0.425 2152 R N 2.580 123.153 120.500 0.120 0.000 2.239 2152 R HA 0.596 4.936 4.340 0.000 0.000 0.332 2152 R C 0.091 176.370 176.300 -0.034 0.000 0.988 2152 R CA -0.256 55.853 56.100 0.014 0.000 0.859 2152 R CB 1.556 31.920 30.300 0.107 0.000 1.148 2152 R HN 0.975 nan 8.270 nan 0.000 0.482 2153 T N -0.292 114.122 114.554 -0.233 0.000 2.907 2153 T HA 0.518 4.868 4.350 0.000 0.000 0.284 2153 T C -0.419 173.976 174.700 -0.509 0.000 1.004 2153 T CA -0.419 61.442 62.100 -0.398 0.000 1.063 2153 T CB 0.841 69.441 68.868 -0.446 0.000 0.992 2153 T HN 0.390 nan 8.240 nan 0.000 0.483 2154 Y N -0.255 119.841 120.300 -0.340 0.000 2.609 2154 Y HA 0.588 5.138 4.550 0.000 0.000 0.342 2154 Y C 0.207 175.964 175.900 -0.238 0.000 1.058 2154 Y CA -1.424 56.544 58.100 -0.220 0.000 1.055 2154 Y CB 2.096 40.458 38.460 -0.164 0.000 1.292 2154 Y HN 0.738 nan 8.280 nan 0.000 0.476 2155 R N 3.751 124.265 120.500 0.024 0.000 2.247 2155 R HA 0.439 4.779 4.340 0.000 0.000 0.329 2155 R C -2.679 173.620 176.300 -0.001 0.000 1.014 2155 R CA -1.725 54.361 56.100 -0.023 0.000 0.907 2155 R CB 0.467 30.761 30.300 -0.010 0.000 1.146 2155 R HN 0.457 nan 8.270 nan 0.000 0.499 2156 P HA 0.120 nan 4.420 nan 0.000 0.271 2156 P C -0.930 176.424 177.300 0.091 0.000 1.244 2156 P CA 0.065 63.145 63.100 -0.034 0.000 0.793 2156 P CB 0.775 32.338 31.700 -0.230 0.000 0.984 2157 E N -0.537 119.783 120.200 0.200 0.000 2.402 2157 E HA 0.566 4.917 4.350 0.000 0.000 0.244 2157 E C -0.071 176.667 176.600 0.231 0.000 0.945 2157 E CA -0.673 55.830 56.400 0.172 0.000 0.774 2157 E CB 0.392 30.170 29.700 0.130 0.000 1.296 2157 E HN 0.709 nan 8.360 nan 0.000 0.414 2158 I N 1.129 121.820 120.570 0.202 0.000 2.352 2158 I HA 0.780 4.950 4.170 0.000 0.000 0.290 2158 I C 1.328 177.498 176.117 0.090 0.000 1.036 2158 I CA 0.260 61.664 61.300 0.174 0.000 1.336 2158 I CB -0.001 38.098 38.000 0.164 0.000 1.407 2158 I HN 0.901 nan 8.210 nan 0.000 0.497 2159 K N 4.578 125.011 120.400 0.055 0.000 2.121 2159 K HA 0.236 4.556 4.320 0.000 0.000 0.203 2159 K C 1.116 177.736 176.600 0.033 0.000 1.041 2159 K CA 1.113 57.422 56.287 0.037 0.000 0.969 2159 K CB -0.044 32.471 32.500 0.024 0.000 0.799 2159 K HN 0.776 nan 8.250 nan 0.000 0.456 2160 K N 0.454 120.877 120.400 0.039 0.000 2.425 2160 K HA 0.357 4.678 4.320 0.000 0.000 0.259 2160 K C 0.807 177.432 176.600 0.042 0.000 0.978 2160 K CA -0.142 56.172 56.287 0.045 0.000 0.883 2160 K CB 1.690 34.234 32.500 0.075 0.000 1.110 2160 K HN 0.290 nan 8.250 nan 0.000 0.436 2161 G N 0.968 109.783 108.800 0.025 0.000 2.535 2161 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 2161 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 2161 G C 1.085 175.993 174.900 0.013 0.000 1.122 2161 G CA 0.777 45.885 45.100 0.014 0.000 0.769 2161 G HN 0.597 nan 8.290 nan 0.000 0.549 2162 S N -2.118 113.600 115.700 0.031 0.000 2.524 2162 S HA 0.336 4.806 4.470 0.000 0.000 0.215 2162 S C 0.024 174.672 174.600 0.080 0.000 0.986 2162 S CA -0.543 57.680 58.200 0.038 0.000 0.911 2162 S CB 0.116 63.335 63.200 0.033 0.000 0.805 2162 S HN 0.288 nan 8.310 nan 0.000 0.501 2163 Y N 1.509 121.767 120.300 -0.071 0.000 2.442 2163 Y HA 0.631 5.181 4.550 0.000 0.000 0.344 2163 Y C -1.194 174.627 175.900 -0.132 0.000 0.976 2163 Y CA -1.281 56.758 58.100 -0.101 0.000 1.040 2163 Y CB 1.479 39.877 38.460 -0.103 0.000 1.228 2163 Y HN 0.099 nan 8.280 nan 0.000 0.451 2164 N N 3.733 121.790 118.700 -1.073 0.000 2.242 2164 N HA 0.373 5.113 4.740 0.000 0.000 0.292 2164 N C -2.142 172.653 175.510 -1.190 0.000 1.125 2164 N CA -1.019 51.486 53.050 -0.909 0.000 0.783 2164 N CB 1.622 39.871 38.487 -0.396 0.000 1.558 2164 N HN 0.591 nan 8.380 nan 0.000 0.472 2165 N N 2.360 120.530 118.700 -0.883 0.000 2.425 2165 N HA 0.400 5.140 4.740 0.000 0.000 0.289 2165 N C -2.074 173.119 175.510 -0.529 0.000 1.074 2165 N CA -0.385 52.287 53.050 -0.630 0.000 0.905 2165 N CB 1.834 40.097 38.487 -0.373 0.000 1.586 2165 N HN 0.514 nan 8.380 nan 0.000 0.490 2166 I N 2.827 123.104 120.570 -0.489 0.000 2.533 2166 I HA 0.551 4.721 4.170 0.000 0.000 0.290 2166 I C -1.770 174.112 176.117 -0.391 0.000 1.056 2166 I CA -0.574 60.458 61.300 -0.447 0.000 1.057 2166 I CB 1.879 39.417 38.000 -0.769 0.000 1.240 2166 I HN 0.151 nan 8.210 nan 0.000 0.423 2167 V N 7.528 127.295 119.914 -0.246 0.000 2.483 2167 V HA 0.730 4.851 4.120 0.000 0.000 0.297 2167 V C -0.600 175.389 176.094 -0.174 0.000 1.027 2167 V CA -0.509 61.655 62.300 -0.228 0.000 0.855 2167 V CB 1.734 33.435 31.823 -0.203 0.000 0.995 2167 V HN 0.711 nan 8.190 nan 0.000 0.424 2168 V N 1.546 121.311 119.914 -0.248 0.000 2.876 2168 V HA 0.668 4.788 4.120 0.000 0.000 0.312 2168 V C -0.877 175.075 176.094 -0.236 0.000 1.085 2168 V CA -0.675 61.539 62.300 -0.143 0.000 0.945 2168 V CB 2.244 34.052 31.823 -0.024 0.000 1.017 2168 V HN 0.831 nan 8.190 nan 0.000 0.428 2169 H N 2.192 121.371 119.070 0.180 0.000 2.511 2169 H HA 0.795 5.351 4.556 0.000 0.000 0.328 2169 H C -0.783 174.831 175.328 0.476 0.000 1.044 2169 H CA -0.323 55.905 56.048 0.301 0.000 1.212 2169 H CB 2.171 32.044 29.762 0.186 0.000 1.428 2169 H HN 0.681 nan 8.280 nan 0.000 0.483 2170 V N 3.430 123.684 119.914 0.567 0.000 2.962 2170 V HA 0.461 4.581 4.120 0.000 0.000 0.313 2170 V C -1.105 175.123 176.094 0.223 0.000 1.099 2170 V CA -0.714 61.828 62.300 0.403 0.000 0.971 2170 V CB 2.768 34.748 31.823 0.262 0.000 1.028 2170 V HN 0.742 nan 8.190 nan 0.000 0.430 2171 K N 3.182 123.547 120.400 -0.059 0.000 2.652 2171 K HA 0.656 4.976 4.320 0.000 0.000 0.249 2171 K C -1.155 175.361 176.600 -0.142 0.000 0.986 2171 K CA -0.140 55.960 56.287 -0.311 0.000 0.867 2171 K CB 1.705 33.490 32.500 -1.191 0.000 1.201 2171 K HN 1.028 nan 8.250 nan 0.000 0.450 2172 T N -0.954 113.578 114.554 -0.036 0.000 2.792 2172 T HA 0.612 4.962 4.350 0.000 0.000 0.303 2172 T C -0.088 174.586 174.700 -0.044 0.000 1.310 2172 T CA -0.479 61.575 62.100 -0.077 0.000 1.007 2172 T CB 1.762 70.592 68.868 -0.065 0.000 1.335 2172 T HN 0.310 nan 8.240 nan 0.000 0.504 2173 A N 0.369 123.145 122.820 -0.073 0.000 2.469 2173 A HA 0.637 4.957 4.320 0.000 0.000 0.245 2173 A C 0.419 177.980 177.584 -0.038 0.000 1.221 2173 A CA -0.143 51.868 52.037 -0.043 0.000 0.946 2173 A CB 0.138 19.103 19.000 -0.059 0.000 1.049 2173 A HN 0.729 nan 8.150 nan 0.000 0.529 2174 V N 0.532 120.414 119.914 -0.054 0.000 2.509 2174 V HA 0.411 4.531 4.120 0.000 0.000 0.284 2174 V C 1.525 177.615 176.094 -0.007 0.000 1.047 2174 V CA 0.360 62.635 62.300 -0.043 0.000 0.952 2174 V CB 1.160 32.937 31.823 -0.078 0.000 0.988 2174 V HN 0.417 nan 8.190 nan 0.000 0.469 2175 A N 3.440 126.259 122.820 -0.001 0.000 2.067 2175 A HA 0.058 4.378 4.320 0.000 0.000 0.217 2175 A C 0.486 178.085 177.584 0.025 0.000 1.156 2175 A CA 0.724 52.768 52.037 0.011 0.000 0.683 2175 A CB -0.261 18.742 19.000 0.006 0.000 0.808 2175 A HN 0.891 nan 8.150 nan 0.000 0.455 2176 D N -0.136 120.281 120.400 0.027 0.000 2.629 2176 D HA 0.572 5.212 4.640 0.000 0.000 0.250 2176 D C -0.912 175.430 176.300 0.071 0.000 1.126 2176 D CA -0.491 53.535 54.000 0.044 0.000 0.852 2176 D CB 1.162 41.977 40.800 0.025 0.000 1.335 2176 D HN 0.144 nan 8.370 nan 0.000 0.518 2177 N N 1.097 119.868 118.700 0.118 0.000 2.823 2177 N HA 0.351 5.091 4.740 0.000 0.000 0.251 2177 N C -1.899 173.719 175.510 0.180 0.000 1.392 2177 N CA -0.747 52.422 53.050 0.197 0.000 0.864 2177 N CB 2.124 40.848 38.487 0.396 0.000 1.481 2177 N HN 0.254 nan 8.380 nan 0.000 0.508 2178 L N 1.800 123.132 121.223 0.182 0.000 2.276 2178 L HA 0.476 4.817 4.340 0.000 0.000 0.286 2178 L C 0.260 177.197 176.870 0.111 0.000 1.024 2178 L CA -0.051 54.868 54.840 0.132 0.000 0.826 2178 L CB 0.361 42.454 42.059 0.057 0.000 1.211 2178 L HN 0.639 nan 8.230 nan 0.000 0.422 2179 L N 4.546 125.836 121.223 0.111 0.000 2.221 2179 L HA 0.282 4.622 4.340 0.000 0.000 0.202 2179 L C 0.024 176.980 176.870 0.144 0.000 1.074 2179 L CA 0.413 55.254 54.840 0.002 0.000 0.795 2179 L CB -0.034 42.055 42.059 0.050 0.000 0.960 2179 L HN 0.530 nan 8.230 nan 0.000 0.458 2180 F N -0.795 119.221 119.950 0.111 0.000 2.601 2180 F HA 0.552 5.079 4.527 0.000 0.000 0.309 2180 F C -1.438 174.552 175.800 0.317 0.000 1.089 2180 F CA -0.996 57.107 58.000 0.172 0.000 0.940 2180 F CB 1.927 41.005 39.000 0.129 0.000 1.273 2180 F HN -0.244 nan 8.300 nan 0.000 0.450 2181 Y N 5.827 125.825 120.300 -0.504 0.000 2.482 2181 Y HA 0.689 5.240 4.550 0.000 0.000 0.334 2181 Y C -2.195 173.535 175.900 -0.284 0.000 1.091 2181 Y CA -1.043 56.963 58.100 -0.158 0.000 1.027 2181 Y CB 1.828 40.281 38.460 -0.012 0.000 1.306 2181 Y HN 0.792 nan 8.280 nan 0.000 0.446 2182 L N 5.096 126.000 121.223 -0.531 0.000 2.470 2182 L HA 0.935 5.275 4.340 0.000 0.000 0.268 2182 L C -0.670 176.096 176.870 -0.174 0.000 0.964 2182 L CA -0.185 54.511 54.840 -0.241 0.000 0.839 2182 L CB 1.848 43.839 42.059 -0.114 0.000 1.276 2182 L HN 0.862 nan 8.230 nan 0.000 0.403 2183 G N 1.527 110.383 108.800 0.093 0.000 2.606 2183 G HA2 0.661 4.621 3.960 0.000 0.000 0.300 2183 G HA3 0.661 4.621 3.960 0.000 0.000 0.300 2183 G C -1.728 173.319 174.900 0.245 0.000 1.360 2183 G CA 0.100 45.328 45.100 0.214 0.000 0.783 2183 G HN 0.718 nan 8.290 nan 0.000 0.484 2184 S N -2.038 113.818 115.700 0.260 0.000 2.671 2184 S HA 0.753 5.223 4.470 0.000 0.000 0.277 2184 S C 0.995 175.701 174.600 0.176 0.000 1.165 2184 S CA 0.464 58.795 58.200 0.219 0.000 0.822 2184 S CB 1.379 64.735 63.200 0.260 0.000 1.150 2184 S HN 1.933 nan 8.310 nan 0.000 0.479 2185 A N 0.884 123.770 122.820 0.110 0.000 1.898 2185 A HA 0.137 4.457 4.320 0.000 0.000 0.214 2185 A C 1.960 179.533 177.584 -0.019 0.000 1.183 2185 A CA 1.425 53.492 52.037 0.050 0.000 0.622 2185 A CB -0.764 18.252 19.000 0.027 0.000 0.824 2185 A HN 0.857 nan 8.150 nan 0.000 0.444 2186 K N -1.847 118.491 120.400 -0.103 0.000 2.217 2186 K HA 0.045 4.365 4.320 0.000 0.000 0.202 2186 K C -0.698 175.564 176.600 -0.563 0.000 1.051 2186 K CA 0.430 56.482 56.287 -0.392 0.000 0.952 2186 K CB -0.054 32.067 32.500 -0.633 0.000 0.736 2186 K HN 0.396 nan 8.250 nan 0.000 0.453 2187 F N -0.192 119.809 119.950 0.085 0.000 2.579 2187 F HA 0.235 4.762 4.527 0.000 0.000 0.324 2187 F C 1.155 177.023 175.800 0.113 0.000 1.058 2187 F CA -1.231 56.824 58.000 0.093 0.000 0.944 2187 F CB 1.184 40.245 39.000 0.102 0.000 1.245 2187 F HN -0.210 nan 8.300 nan 0.000 0.477 2188 I N -2.299 118.465 120.570 0.324 0.000 2.716 2188 I HA 0.083 4.253 4.170 0.000 0.000 0.259 2188 I C -0.093 176.233 176.117 0.348 0.000 1.172 2188 I CA 0.206 61.664 61.300 0.263 0.000 1.478 2188 I CB -0.544 37.567 38.000 0.185 0.000 1.104 2188 I HN 0.352 nan 8.210 nan 0.000 0.439 2189 D N 2.826 123.397 120.400 0.285 0.000 2.601 2189 D HA 0.204 4.844 4.640 0.000 0.000 0.229 2189 D C -0.470 175.991 176.300 0.268 0.000 1.140 2189 D CA 1.234 55.343 54.000 0.182 0.000 0.862 2189 D CB 0.204 41.056 40.800 0.086 0.000 1.192 2189 D HN 0.487 nan 8.370 nan 0.000 0.480 2190 F N -0.922 119.054 119.950 0.043 0.000 2.744 2190 F HA 0.521 5.048 4.527 0.000 0.000 0.311 2190 F C -2.319 173.467 175.800 -0.024 0.000 1.144 2190 F CA -1.258 56.697 58.000 -0.076 0.000 0.938 2190 F CB 0.848 39.739 39.000 -0.182 0.000 1.292 2190 F HN 0.133 nan 8.300 nan 0.000 0.444 2191 L N 2.392 123.647 121.223 0.053 0.000 2.354 2191 L HA 0.988 5.328 4.340 0.000 0.000 0.269 2191 L C -0.638 176.468 176.870 0.393 0.000 1.005 2191 L CA -1.199 53.786 54.840 0.241 0.000 0.819 2191 L CB 1.914 44.258 42.059 0.475 0.000 1.311 2191 L HN 1.110 nan 8.230 nan 0.000 0.423 2192 A N 3.589 126.761 122.820 0.586 0.000 2.540 2192 A HA 0.734 5.054 4.320 0.000 0.000 0.297 2192 A C -1.363 176.613 177.584 0.654 0.000 1.056 2192 A CA -0.371 52.050 52.037 0.640 0.000 0.700 2192 A CB 1.389 20.774 19.000 0.642 0.000 1.280 2192 A HN 0.595 nan 8.150 nan 0.000 0.398 2193 I N 2.310 123.227 120.570 0.579 0.000 2.418 2193 I HA 0.501 4.671 4.170 0.000 0.000 0.287 2193 I C 0.011 176.312 176.117 0.307 0.000 1.008 2193 I CA -0.210 61.338 61.300 0.414 0.000 1.104 2193 I CB 1.831 39.997 38.000 0.276 0.000 1.264 2193 I HN 0.960 nan 8.210 nan 0.000 0.438 2194 E N 6.696 127.045 120.200 0.249 0.000 2.456 2194 E HA 0.736 5.086 4.350 0.000 0.000 0.276 2194 E C -1.646 175.040 176.600 0.142 0.000 0.981 2194 E CA -1.108 55.404 56.400 0.186 0.000 0.814 2194 E CB 2.434 32.240 29.700 0.175 0.000 1.382 2194 E HN 0.410 nan 8.360 nan 0.000 0.459 2195 M N 0.770 120.440 119.600 0.117 0.000 2.465 2195 M HA 0.537 5.017 4.480 0.000 0.000 0.316 2195 M C -0.813 175.527 176.300 0.066 0.000 1.121 2195 M CA -0.593 54.757 55.300 0.084 0.000 0.934 2195 M CB 2.549 35.196 32.600 0.078 0.000 1.692 2195 M HN 0.402 nan 8.290 nan 0.000 0.444 2196 R N 1.783 122.312 120.500 0.048 0.000 2.514 2196 R HA 0.378 4.718 4.340 0.000 0.000 0.296 2196 R C -0.827 175.486 176.300 0.021 0.000 1.012 2196 R CA -0.914 55.206 56.100 0.034 0.000 0.897 2196 R CB 1.644 31.963 30.300 0.032 0.000 1.184 2196 R HN 0.689 nan 8.270 nan 0.000 0.440 2197 K N 1.188 121.597 120.400 0.015 0.000 3.035 2197 K HA -0.268 4.052 4.320 0.000 0.000 0.262 2197 K C 0.630 177.234 176.600 0.007 0.000 1.024 2197 K CA 0.849 57.141 56.287 0.009 0.000 0.748 2197 K CB -1.230 31.273 32.500 0.005 0.000 1.247 2197 K HN 1.216 nan 8.250 nan 0.000 0.482 2198 G N -0.246 108.559 108.800 0.008 0.000 2.179 2198 G HA2 -0.346 3.614 3.960 0.000 0.000 0.260 2198 G HA3 -0.346 3.614 3.960 0.000 0.000 0.260 2198 G C -0.095 174.795 174.900 -0.016 0.000 0.977 2198 G CA 0.806 45.903 45.100 -0.005 0.000 0.641 2198 G HN 0.335 nan 8.290 nan 0.000 0.533 2199 K N 0.445 120.848 120.400 0.004 0.000 2.206 2199 K HA 0.577 4.898 4.320 0.000 0.000 0.264 2199 K C 0.149 176.772 176.600 0.038 0.000 0.967 2199 K CA -0.802 55.495 56.287 0.016 0.000 0.844 2199 K CB 2.655 35.166 32.500 0.018 0.000 1.099 2199 K HN 0.029 nan 8.250 nan 0.000 0.441 2200 V N 2.179 122.119 119.914 0.044 0.000 2.488 2200 V HA 0.115 4.235 4.120 0.000 0.000 0.277 2200 V C 0.160 176.329 176.094 0.126 0.000 1.046 2200 V CA -0.109 62.231 62.300 0.067 0.000 0.986 2200 V CB 1.145 32.975 31.823 0.012 0.000 0.989 2200 V HN 0.685 nan 8.190 nan 0.000 0.475 2201 S N 4.145 119.938 115.700 0.156 0.000 2.513 2201 S HA 0.684 5.154 4.470 0.000 0.000 0.299 2201 S C -1.057 173.735 174.600 0.320 0.000 1.087 2201 S CA -0.431 57.892 58.200 0.204 0.000 1.012 2201 S CB 1.248 64.539 63.200 0.152 0.000 1.044 2201 S HN 0.556 nan 8.310 nan 0.000 0.485 2202 F N 6.255 126.318 119.950 0.187 0.000 2.411 2202 F HA 0.690 5.217 4.527 0.000 0.000 0.352 2202 F C -0.854 175.180 175.800 0.389 0.000 1.123 2202 F CA -1.312 56.838 58.000 0.249 0.000 1.044 2202 F CB 0.345 39.459 39.000 0.190 0.000 1.135 2202 F HN 0.510 nan 8.300 nan 0.000 0.461 2203 L N 4.403 125.641 121.223 0.025 0.000 2.333 2203 L HA 0.968 5.308 4.340 0.000 0.000 0.263 2203 L C -1.757 174.974 176.870 -0.232 0.000 1.014 2203 L CA -0.905 53.852 54.840 -0.140 0.000 0.820 2203 L CB 2.326 44.401 42.059 0.027 0.000 1.352 2203 L HN 0.847 nan 8.230 nan 0.000 0.421 2204 W N 0.049 120.957 121.300 -0.654 0.000 2.989 2204 W HA 0.727 5.388 4.660 0.000 0.000 0.344 2204 W C -2.257 173.762 176.519 -0.832 0.000 1.233 2204 W CA -0.612 56.174 57.345 -0.932 0.000 1.187 2204 W CB 0.979 30.011 29.460 -0.712 0.000 1.443 2204 W HN 0.630 nan 8.180 nan 0.000 0.573 2205 D N 1.271 121.198 120.400 -0.788 0.000 2.613 2205 D HA 0.200 4.840 4.640 0.000 0.000 0.230 2205 D C -0.221 175.995 176.300 -0.140 0.000 1.365 2205 D CA -0.434 53.307 54.000 -0.432 0.000 0.976 2205 D CB 2.376 42.990 40.800 -0.310 0.000 1.415 2205 D HN 0.812 nan 8.370 nan 0.000 0.589 2206 V N 1.715 121.646 119.914 0.029 0.000 3.331 2206 V HA 0.597 4.718 4.120 0.000 0.000 0.332 2206 V C 1.230 177.385 176.094 0.102 0.000 1.341 2206 V CA 0.581 62.933 62.300 0.087 0.000 1.218 2206 V CB 0.073 31.987 31.823 0.152 0.000 1.152 2206 V HN 0.786 nan 8.190 nan 0.000 0.445 2207 G N 0.220 109.015 108.800 -0.008 0.000 2.192 2207 G HA2 -0.199 3.761 3.960 0.000 0.000 0.193 2207 G HA3 -0.199 3.761 3.960 0.000 0.000 0.193 2207 G C 0.486 175.146 174.900 -0.399 0.000 0.999 2207 G CA 0.214 45.200 45.100 -0.192 0.000 0.659 2207 G HN 0.714 nan 8.290 nan 0.000 0.503 2208 S N -0.042 115.555 115.700 -0.172 0.000 2.819 2208 S HA 0.609 5.079 4.470 0.000 0.000 0.249 2208 S C 0.719 175.262 174.600 -0.095 0.000 1.030 2208 S CA 0.843 58.958 58.200 -0.143 0.000 1.052 2208 S CB 1.426 64.620 63.200 -0.010 0.000 1.017 2208 S HN 2.181 nan 8.310 nan 0.000 0.576 2209 G N 0.916 109.652 108.800 -0.106 0.000 2.375 2209 G HA2 0.089 4.049 3.960 0.000 0.000 0.663 2209 G HA3 0.089 4.049 3.960 0.000 0.000 0.663 2209 G C -1.041 173.737 174.900 -0.203 0.000 1.391 2209 G CA -1.057 43.976 45.100 -0.112 0.000 0.949 2209 G HN 0.209 nan 8.290 nan 0.000 0.646 2210 V N 0.577 120.364 119.914 -0.212 0.000 2.637 2210 V HA 0.607 4.727 4.120 0.000 0.000 0.296 2210 V C 1.352 177.088 176.094 -0.596 0.000 1.046 2210 V CA 0.797 62.877 62.300 -0.368 0.000 1.066 2210 V CB 1.211 32.933 31.823 -0.167 0.000 0.968 2210 V HN 1.588 nan 8.190 nan 0.000 0.483 2211 G N 4.100 112.180 108.800 -1.201 0.000 2.461 2211 G HA2 0.705 4.665 3.960 0.000 0.000 0.323 2211 G HA3 0.705 4.665 3.960 0.000 0.000 0.323 2211 G C -0.794 173.205 174.900 -1.502 0.000 1.229 2211 G CA -0.788 43.349 45.100 -1.607 0.000 0.941 2211 G HN 0.798 nan 8.290 nan 0.000 0.477 2212 R N 0.874 120.960 120.500 -0.690 0.000 2.564 2212 R HA 0.625 4.965 4.340 0.000 0.000 0.284 2212 R C -2.314 174.017 176.300 0.052 0.000 1.031 2212 R CA -0.685 55.271 56.100 -0.241 0.000 0.904 2212 R CB 2.489 32.706 30.300 -0.137 0.000 1.199 2212 R HN 0.538 nan 8.270 nan 0.000 0.443 2213 V N 3.742 123.802 119.914 0.243 0.000 2.482 2213 V HA 0.386 4.506 4.120 0.000 0.000 0.295 2213 V C -0.924 175.305 176.094 0.226 0.000 1.026 2213 V CA -0.475 61.985 62.300 0.266 0.000 0.856 2213 V CB 1.692 33.743 31.823 0.379 0.000 1.001 2213 V HN 0.950 nan 8.190 nan 0.000 0.424 2214 E N 4.652 124.925 120.200 0.122 0.000 2.242 2214 E HA 0.328 4.678 4.350 0.000 0.000 0.275 2214 E C -1.696 174.907 176.600 0.005 0.000 1.002 2214 E CA -0.797 55.652 56.400 0.082 0.000 0.841 2214 E CB 1.514 31.228 29.700 0.023 0.000 1.109 2214 E HN 0.737 nan 8.360 nan 0.000 0.394 2215 Y N 6.207 126.457 120.300 -0.084 0.000 2.477 2215 Y HA 0.238 4.788 4.550 0.000 0.000 0.349 2215 Y C -1.802 173.965 175.900 -0.222 0.000 0.977 2215 Y CA -2.026 55.974 58.100 -0.167 0.000 1.214 2215 Y CB 1.253 39.685 38.460 -0.047 0.000 1.124 2215 Y HN 0.487 nan 8.280 nan 0.000 0.521 2216 P HA -0.074 nan 4.420 nan 0.000 0.221 2216 P C 0.595 177.714 177.300 -0.301 0.000 1.155 2216 P CA 1.047 63.901 63.100 -0.409 0.000 0.812 2216 P CB 0.657 32.072 31.700 -0.476 0.000 0.801 2217 D N -0.132 119.979 120.400 -0.481 0.000 2.190 2217 D HA -0.073 4.567 4.640 0.000 0.000 0.200 2217 D C 0.890 177.231 176.300 0.070 0.000 0.992 2217 D CA 1.158 55.059 54.000 -0.165 0.000 0.854 2217 D CB -0.205 40.508 40.800 -0.145 0.000 0.936 2217 D HN 0.196 nan 8.370 nan 0.000 0.462 2218 L N -1.522 119.831 121.223 0.217 0.000 2.303 2218 L HA 0.472 4.812 4.340 0.000 0.000 0.256 2218 L C -0.220 176.693 176.870 0.071 0.000 1.034 2218 L CA -0.549 54.394 54.840 0.172 0.000 0.832 2218 L CB 2.369 44.552 42.059 0.207 0.000 1.403 2218 L HN -0.368 nan 8.230 nan 0.000 0.419 2219 T N 1.071 115.621 114.554 -0.007 0.000 2.881 2219 T HA 0.541 4.891 4.350 0.000 0.000 0.290 2219 T C 0.391 174.985 174.700 -0.176 0.000 1.000 2219 T CA -0.280 61.787 62.100 -0.054 0.000 0.978 2219 T CB 0.687 69.551 68.868 -0.007 0.000 0.997 2219 T HN 0.537 nan 8.240 nan 0.000 0.443 2220 I N 1.178 121.563 120.570 -0.308 0.000 3.974 2220 I HA 0.419 4.590 4.170 0.000 0.000 0.334 2220 I C 0.437 176.477 176.117 -0.129 0.000 1.437 2220 I CA -0.455 60.464 61.300 -0.636 0.000 1.113 2220 I CB 0.265 37.541 38.000 -1.208 0.000 1.063 2220 I HN 0.377 nan 8.210 nan 0.000 0.400 2221 D N 1.417 121.805 120.400 -0.020 0.000 3.085 2221 D HA -0.002 4.639 4.640 0.000 0.000 0.243 2221 D C 0.024 176.376 176.300 0.087 0.000 1.232 2221 D CA -0.226 53.798 54.000 0.041 0.000 0.913 2221 D CB -0.186 40.623 40.800 0.016 0.000 1.108 2221 D HN 0.625 nan 8.370 nan 0.000 0.468 2222 D N -2.177 118.335 120.400 0.187 0.000 2.513 2222 D HA 0.076 4.716 4.640 0.000 0.000 0.222 2222 D C 0.174 176.552 176.300 0.129 0.000 1.210 2222 D CA -0.690 53.434 54.000 0.207 0.000 0.825 2222 D CB 0.313 41.318 40.800 0.340 0.000 1.037 2222 D HN -0.022 nan 8.370 nan 0.000 0.506 2223 S N -1.574 114.168 115.700 0.068 0.000 3.018 2223 S HA -0.224 4.246 4.470 0.000 0.000 0.274 2223 S C -0.183 174.268 174.600 -0.247 0.000 1.300 2223 S CA 0.335 58.460 58.200 -0.125 0.000 1.179 2223 S CB -2.202 60.868 63.200 -0.216 0.000 1.427 2223 S HN 0.526 nan 8.310 nan 0.000 0.668 2224 Y N -0.558 119.727 120.300 -0.025 0.000 2.374 2224 Y HA 0.496 5.046 4.550 0.000 0.000 0.322 2224 Y C 0.710 176.446 175.900 -0.273 0.000 1.275 2224 Y CA -0.730 57.268 58.100 -0.169 0.000 1.307 2224 Y CB 0.455 38.775 38.460 -0.233 0.000 1.282 2224 Y HN 0.280 nan 8.280 nan 0.000 0.509 2225 W N 1.823 123.086 121.300 -0.063 0.000 2.266 2225 W HA 0.326 4.986 4.660 0.000 0.000 0.317 2225 W C -1.126 175.253 176.519 -0.234 0.000 1.310 2225 W CA -0.065 57.257 57.345 -0.039 0.000 1.207 2225 W CB 0.213 29.675 29.460 0.004 0.000 1.199 2225 W HN 0.325 nan 8.180 nan 0.000 0.544 2226 Y N 1.729 122.291 120.300 0.438 0.000 2.524 2226 Y HA 0.444 4.995 4.550 0.000 0.000 0.344 2226 Y C 0.038 176.084 175.900 0.243 0.000 1.012 2226 Y CA -1.591 56.663 58.100 0.258 0.000 1.068 2226 Y CB 1.809 40.350 38.460 0.134 0.000 1.249 2226 Y HN 0.234 nan 8.280 nan 0.000 0.468 2227 R N 3.410 124.068 120.500 0.263 0.000 2.275 2227 R HA 0.566 4.906 4.340 0.000 0.000 0.326 2227 R C -1.733 174.523 176.300 -0.073 0.000 0.973 2227 R CA -0.262 55.853 56.100 0.026 0.000 0.854 2227 R CB 0.158 30.484 30.300 0.043 0.000 1.156 2227 R HN 0.736 nan 8.270 nan 0.000 0.487 2228 I N 3.538 124.029 120.570 -0.133 0.000 2.321 2228 I HA 0.244 4.414 4.170 0.000 0.000 0.291 2228 I C -0.137 175.841 176.117 -0.232 0.000 0.998 2228 I CA -0.355 60.847 61.300 -0.162 0.000 1.227 2228 I CB 1.659 39.595 38.000 -0.107 0.000 1.368 2228 I HN 0.568 nan 8.210 nan 0.000 0.466 2229 E N 6.249 126.302 120.200 -0.245 0.000 2.218 2229 E HA 0.734 5.084 4.350 0.000 0.000 0.263 2229 E C -1.517 174.878 176.600 -0.341 0.000 0.879 2229 E CA -0.646 55.581 56.400 -0.288 0.000 0.762 2229 E CB 1.724 31.279 29.700 -0.243 0.000 1.166 2229 E HN 0.728 nan 8.360 nan 0.000 0.415 2230 A N 3.016 125.532 122.820 -0.505 0.000 2.380 2230 A HA 0.821 5.141 4.320 0.000 0.000 0.315 2230 A C -0.863 176.243 177.584 -0.797 0.000 1.101 2230 A CA -0.414 51.152 52.037 -0.786 0.000 0.771 2230 A CB 1.754 19.912 19.000 -1.403 0.000 1.287 2230 A HN 0.678 nan 8.150 nan 0.000 0.436 2231 S N 0.684 115.948 115.700 -0.727 0.000 2.570 2231 S HA 0.795 5.265 4.470 0.000 0.000 0.270 2231 S C -0.928 173.448 174.600 -0.374 0.000 1.149 2231 S CA -0.858 57.013 58.200 -0.550 0.000 0.837 2231 S CB 1.669 64.672 63.200 -0.329 0.000 1.124 2231 S HN 0.991 nan 8.310 nan 0.000 0.465 2232 R N 0.207 120.446 120.500 -0.434 0.000 2.686 2232 R HA 0.681 5.022 4.340 0.000 0.000 0.286 2232 R C -1.518 174.682 176.300 -0.166 0.000 0.969 2232 R CA -0.427 55.474 56.100 -0.331 0.000 0.898 2232 R CB 2.143 32.207 30.300 -0.393 0.000 1.183 2232 R HN 0.813 nan 8.270 nan 0.000 0.456 2233 T N 2.763 117.285 114.554 -0.053 0.000 3.009 2233 T HA 0.390 4.740 4.350 0.000 0.000 0.346 2233 T C 0.259 174.964 174.700 0.009 0.000 1.092 2233 T CA 0.206 62.348 62.100 0.069 0.000 1.080 2233 T CB 1.255 70.181 68.868 0.096 0.000 1.037 2233 T HN 0.964 nan 8.240 nan 0.000 0.487 2234 G N 4.025 112.829 108.800 0.006 0.000 2.561 2234 G HA2 -0.347 3.613 3.960 0.000 0.000 0.289 2234 G HA3 -0.347 3.613 3.960 0.000 0.000 0.289 2234 G C 0.735 175.656 174.900 0.036 0.000 1.169 2234 G CA 0.416 45.530 45.100 0.024 0.000 0.980 2234 G HN 0.795 nan 8.290 nan 0.000 0.550 2235 R N 0.967 121.530 120.500 0.105 0.000 2.356 2235 R HA 0.241 4.582 4.340 0.000 0.000 0.234 2235 R C 0.497 176.958 176.300 0.270 0.000 0.929 2235 R CA 0.166 56.413 56.100 0.246 0.000 1.084 2235 R CB -0.063 30.376 30.300 0.232 0.000 1.105 2235 R HN 0.301 nan 8.270 nan 0.000 0.515 2236 N N 1.492 120.238 118.700 0.077 0.000 2.437 2236 N HA 0.212 4.952 4.740 0.000 0.000 0.259 2236 N C -1.084 174.352 175.510 -0.124 0.000 0.983 2236 N CA -0.086 53.010 53.050 0.077 0.000 0.937 2236 N CB 1.754 40.279 38.487 0.064 0.000 1.122 2236 N HN 0.339 nan 8.380 nan 0.000 0.499 2237 G N 0.951 109.634 108.800 -0.196 0.000 2.452 2237 G HA2 0.508 4.469 3.960 0.000 0.000 0.324 2237 G HA3 0.508 4.469 3.960 0.000 0.000 0.324 2237 G C -0.822 174.126 174.900 0.080 0.000 1.214 2237 G CA -0.472 44.393 45.100 -0.391 0.000 0.947 2237 G HN 0.551 nan 8.290 nan 0.000 0.478 2238 S N 0.964 116.644 115.700 -0.033 0.000 2.566 2238 S HA 0.802 5.272 4.470 0.000 0.000 0.298 2238 S C -0.865 173.663 174.600 -0.119 0.000 1.083 2238 S CA -0.871 57.153 58.200 -0.294 0.000 0.978 2238 S CB 2.221 65.022 63.200 -0.665 0.000 1.073 2238 S HN 0.566 nan 8.310 nan 0.000 0.491 2239 I N 1.538 122.088 120.570 -0.034 0.000 2.619 2239 I HA 0.709 4.879 4.170 0.000 0.000 0.292 2239 I C -1.104 175.093 176.117 0.132 0.000 1.100 2239 I CA -0.137 61.192 61.300 0.049 0.000 1.043 2239 I CB 2.062 40.193 38.000 0.217 0.000 1.239 2239 I HN 0.950 nan 8.210 nan 0.000 0.420 2240 S N 6.138 121.824 115.700 -0.022 0.000 2.572 2240 S HA 0.761 5.231 4.470 0.000 0.000 0.274 2240 S C -1.654 172.718 174.600 -0.380 0.000 1.150 2240 S CA -0.380 57.769 58.200 -0.084 0.000 0.944 2240 S CB 1.368 64.546 63.200 -0.037 0.000 1.071 2240 S HN 0.305 nan 8.310 nan 0.000 0.479 2241 V N 5.043 124.442 119.914 -0.859 0.000 2.540 2241 V HA 0.686 4.806 4.120 0.000 0.000 0.302 2241 V C -0.082 175.831 176.094 -0.303 0.000 1.035 2241 V CA -0.864 61.070 62.300 -0.611 0.000 0.873 2241 V CB 1.746 33.102 31.823 -0.779 0.000 0.992 2241 V HN 0.868 nan 8.190 nan 0.000 0.428 2242 R N 3.455 123.917 120.500 -0.064 0.000 2.476 2242 R HA 0.779 5.119 4.340 0.000 0.000 0.305 2242 R C -0.488 175.901 176.300 0.148 0.000 0.965 2242 R CA -0.372 55.753 56.100 0.041 0.000 0.867 2242 R CB 1.647 31.952 30.300 0.009 0.000 1.176 2242 R HN 0.861 nan 8.270 nan 0.000 0.447 2243 A N 4.612 127.520 122.820 0.146 0.000 2.362 2243 A HA 0.234 4.554 4.320 0.000 0.000 0.276 2243 A C 0.450 177.986 177.584 -0.081 0.000 1.153 2243 A CA -0.544 51.455 52.037 -0.064 0.000 0.813 2243 A CB 0.501 19.448 19.000 -0.089 0.000 1.081 2243 A HN 0.765 nan 8.150 nan 0.000 0.507 2244 L N 1.388 122.560 121.223 -0.085 0.000 2.240 2244 L HA 0.128 4.468 4.340 0.000 0.000 0.211 2244 L C 0.352 177.215 176.870 -0.012 0.000 1.106 2244 L CA 1.546 56.382 54.840 -0.008 0.000 0.793 2244 L CB -0.994 41.096 42.059 0.051 0.000 0.927 2244 L HN 0.915 nan 8.230 nan 0.000 0.446 2245 D N -3.413 116.969 120.400 -0.030 0.000 2.599 2245 D HA 0.599 5.239 4.640 0.000 0.000 0.252 2245 D C -0.023 176.208 176.300 -0.114 0.000 1.232 2245 D CA -0.118 53.889 54.000 0.013 0.000 0.819 2245 D CB 1.246 42.132 40.800 0.144 0.000 1.401 2245 D HN 0.129 nan 8.370 nan 0.000 0.429 2246 G N -0.175 108.537 108.800 -0.146 0.000 2.498 2246 G HA2 0.012 3.972 3.960 0.000 0.000 0.651 2246 G HA3 0.012 3.972 3.960 0.000 0.000 0.651 2246 G C -2.159 172.541 174.900 -0.333 0.000 1.284 2246 G CA -0.417 44.361 45.100 -0.537 0.000 0.950 2246 G HN 0.611 nan 8.290 nan 0.000 0.511 2247 P HA 0.034 nan 4.420 nan 0.000 0.234 2247 P C 0.994 178.220 177.300 -0.123 0.000 1.167 2247 P CA 1.105 64.106 63.100 -0.166 0.000 0.763 2247 P CB 0.066 31.691 31.700 -0.126 0.000 0.835 2248 K N -0.563 119.742 120.400 -0.158 0.000 2.354 2248 K HA 0.264 4.584 4.320 0.000 0.000 0.194 2248 K C 2.032 178.612 176.600 -0.033 0.000 1.038 2248 K CA 0.393 56.650 56.287 -0.050 0.000 1.052 2248 K CB 0.036 32.551 32.500 0.025 0.000 0.861 2248 K HN -0.051 nan 8.250 nan 0.000 0.535 2249 A N 1.524 124.292 122.820 -0.087 0.000 2.178 2249 A HA -0.114 4.206 4.320 0.000 0.000 0.218 2249 A C 1.932 179.500 177.584 -0.028 0.000 1.157 2249 A CA 1.667 53.669 52.037 -0.057 0.000 0.689 2249 A CB -0.419 18.537 19.000 -0.074 0.000 0.787 2249 A HN 0.295 nan 8.150 nan 0.000 0.465 2250 S N -1.367 114.317 115.700 -0.027 0.000 2.575 2250 S HA 0.358 4.828 4.470 0.000 0.000 0.215 2250 S C 0.647 175.247 174.600 -0.000 0.000 0.966 2250 S CA -0.350 57.840 58.200 -0.017 0.000 0.911 2250 S CB -0.417 62.768 63.200 -0.024 0.000 0.780 2250 S HN 0.459 nan 8.310 nan 0.000 0.514 2251 M N 1.580 121.190 119.600 0.016 0.000 2.227 2251 M HA 0.303 4.783 4.480 0.000 0.000 0.316 2251 M C -0.645 175.683 176.300 0.047 0.000 1.144 2251 M CA -0.486 54.838 55.300 0.040 0.000 1.121 2251 M CB 1.270 33.912 32.600 0.070 0.000 1.440 2251 M HN -0.081 nan 8.290 nan 0.000 0.473 2252 V N 3.692 123.639 119.914 0.055 0.000 2.304 2252 V HA 0.204 4.325 4.120 0.000 0.000 0.262 2252 V C -1.806 174.346 176.094 0.095 0.000 1.061 2252 V CA -1.526 60.806 62.300 0.053 0.000 0.872 2252 V CB -0.238 31.606 31.823 0.034 0.000 1.077 2252 V HN 0.683 nan 8.190 nan 0.000 0.480 2253 P HA 0.058 nan 4.420 nan 0.000 0.260 2253 P C -0.023 177.380 177.300 0.171 0.000 1.185 2253 P CA 0.652 63.847 63.100 0.158 0.000 0.763 2253 P CB 1.083 32.824 31.700 0.068 0.000 0.776 2254 S N 1.995 117.876 115.700 0.302 0.000 2.719 2254 S HA 0.606 5.076 4.470 0.000 0.000 0.285 2254 S C -0.369 174.366 174.600 0.224 0.000 1.137 2254 S CA -0.324 57.974 58.200 0.164 0.000 1.012 2254 S CB 0.719 63.956 63.200 0.062 0.000 1.134 2254 S HN 0.504 nan 8.310 nan 0.000 0.544 2255 T N 2.200 116.748 114.554 -0.011 0.000 3.050 2255 T HA 0.444 4.794 4.350 0.000 0.000 0.310 2255 T C -1.763 172.841 174.700 -0.161 0.000 0.978 2255 T CA -0.171 61.938 62.100 0.016 0.000 1.013 2255 T CB 0.255 69.106 68.868 -0.028 0.000 1.000 2255 T HN 0.448 nan 8.240 nan 0.000 0.447 2256 Y N 2.300 122.606 120.300 0.011 0.000 2.387 2256 Y HA 0.513 5.063 4.550 0.000 0.000 0.330 2256 Y C 1.074 176.945 175.900 -0.048 0.000 1.133 2256 Y CA -0.771 57.339 58.100 0.016 0.000 1.152 2256 Y CB 1.018 39.485 38.460 0.011 0.000 1.215 2256 Y HN 0.550 nan 8.280 nan 0.000 0.466 2257 H N 0.134 119.336 119.070 0.219 0.000 2.731 2257 H HA 0.669 5.225 4.556 0.000 0.000 0.368 2257 H C -0.816 174.643 175.328 0.218 0.000 1.168 2257 H CA -0.606 55.556 56.048 0.190 0.000 1.181 2257 H CB 2.512 32.340 29.762 0.109 0.000 1.743 2257 H HN 0.620 nan 8.280 nan 0.000 0.547 2258 S N 0.313 116.259 115.700 0.410 0.000 2.672 2258 S HA 0.541 5.012 4.470 0.000 0.000 0.271 2258 S C -1.711 173.150 174.600 0.435 0.000 1.171 2258 S CA -0.559 57.851 58.200 0.351 0.000 0.817 2258 S CB 1.818 65.206 63.200 0.314 0.000 1.150 2258 S HN 0.343 nan 8.310 nan 0.000 0.478 2259 V N 1.918 122.029 119.914 0.328 0.000 3.049 2259 V HA 0.813 4.934 4.120 0.000 0.000 0.309 2259 V C -0.518 175.678 176.094 0.170 0.000 1.148 2259 V CA -0.162 62.356 62.300 0.362 0.000 0.990 2259 V CB 2.196 34.149 31.823 0.217 0.000 1.039 2259 V HN 1.189 nan 8.190 nan 0.000 0.430 2260 S N 5.091 120.911 115.700 0.201 0.000 2.672 2260 S HA 0.714 5.184 4.470 0.000 0.000 0.276 2260 S C -2.840 171.769 174.600 0.014 0.000 1.207 2260 S CA -1.456 56.703 58.200 -0.069 0.000 1.002 2260 S CB 1.171 64.274 63.200 -0.163 0.000 0.998 2260 S HN 0.652 nan 8.310 nan 0.000 0.542 2261 P HA 0.114 nan 4.420 nan 0.000 0.266 2261 P C -2.255 175.069 177.300 0.040 0.000 1.186 2261 P CA -0.594 62.505 63.100 -0.002 0.000 0.767 2261 P CB -0.444 31.239 31.700 -0.028 0.000 0.820 2262 P HA 0.163 nan 4.420 nan 0.000 0.269 2262 P C 0.512 177.865 177.300 0.088 0.000 1.215 2262 P CA 0.571 63.710 63.100 0.066 0.000 0.780 2262 P CB 0.728 32.458 31.700 0.050 0.000 0.898 2263 G N 0.944 109.814 108.800 0.118 0.000 2.013 2263 G HA2 -0.110 3.850 3.960 0.000 0.000 0.076 2263 G HA3 -0.110 3.850 3.960 0.000 0.000 0.076 2263 G C -1.000 174.046 174.900 0.243 0.000 1.053 2263 G CA -0.636 44.580 45.100 0.194 0.000 1.230 2263 G HN 0.343 nan 8.290 nan 0.000 0.431 2264 Y N 0.772 121.086 120.300 0.024 0.000 2.546 2264 Y HA 0.512 5.062 4.550 0.000 0.000 0.351 2264 Y C 1.974 177.892 175.900 0.030 0.000 1.266 2264 Y CA 1.380 59.493 58.100 0.021 0.000 1.487 2264 Y CB 0.937 39.407 38.460 0.017 0.000 1.365 2264 Y HN 0.470 nan 8.280 nan 0.000 0.642 2265 T N 0.483 115.112 114.554 0.125 0.000 3.147 2265 T HA 0.245 4.596 4.350 0.000 0.000 0.275 2265 T C -0.451 174.280 174.700 0.052 0.000 0.879 2265 T CA -0.061 62.089 62.100 0.083 0.000 0.863 2265 T CB 0.075 68.966 68.868 0.038 0.000 1.236 2265 T HN 0.186 nan 8.240 nan 0.000 0.582 2266 I N 2.376 122.966 120.570 0.033 0.000 2.428 2266 I HA 0.347 4.517 4.170 0.000 0.000 0.296 2266 I C -0.172 175.947 176.117 0.005 0.000 0.985 2266 I CA -1.073 60.228 61.300 0.002 0.000 1.260 2266 I CB 1.357 39.332 38.000 -0.042 0.000 1.389 2266 I HN 0.095 nan 8.210 nan 0.000 0.484 2267 L N 6.420 127.639 121.223 -0.007 0.000 2.334 2267 L HA 0.247 4.587 4.340 0.000 0.000 0.286 2267 L C -0.552 176.274 176.870 -0.074 0.000 1.108 2267 L CA 0.006 54.841 54.840 -0.008 0.000 0.875 2267 L CB -0.359 41.718 42.059 0.031 0.000 1.246 2267 L HN 0.549 nan 8.230 nan 0.000 0.439 2268 D N 3.611 123.898 120.400 -0.188 0.000 2.389 2268 D HA 0.266 4.906 4.640 0.000 0.000 0.247 2268 D C -0.426 175.646 176.300 -0.381 0.000 1.128 2268 D CA 0.316 54.011 54.000 -0.509 0.000 0.884 2268 D CB 2.723 42.874 40.800 -1.082 0.000 1.194 2268 D HN 0.323 nan 8.370 nan 0.000 0.441 2269 V N 2.051 121.821 119.914 -0.241 0.000 3.048 2269 V HA 0.160 4.280 4.120 0.000 0.000 0.303 2269 V C -1.141 175.158 176.094 0.342 0.000 1.214 2269 V CA -0.752 61.649 62.300 0.169 0.000 0.984 2269 V CB 2.499 34.392 31.823 0.118 0.000 1.054 2269 V HN 0.624 nan 8.190 nan 0.000 0.430 2270 D N 4.086 124.737 120.400 0.418 0.000 2.496 2270 D HA 0.608 5.248 4.640 0.000 0.000 0.283 2270 D C 1.146 177.545 176.300 0.165 0.000 1.214 2270 D CA 0.314 54.492 54.000 0.298 0.000 1.089 2270 D CB 0.773 41.679 40.800 0.176 0.000 1.141 2270 D HN 0.633 nan 8.370 nan 0.000 0.580 2271 A N -0.094 122.794 122.820 0.113 0.000 1.832 2271 A HA -0.133 4.187 4.320 0.000 0.000 0.214 2271 A C 1.286 178.908 177.584 0.063 0.000 1.200 2271 A CA 1.468 53.551 52.037 0.078 0.000 0.610 2271 A CB -1.212 17.823 19.000 0.057 0.000 0.842 2271 A HN 0.718 nan 8.150 nan 0.000 0.444 2272 N N 1.137 119.870 118.700 0.055 0.000 3.178 2272 N HA 0.351 5.092 4.740 0.000 0.000 0.300 2272 N C -0.015 175.523 175.510 0.046 0.000 1.242 2272 N CA 0.589 53.661 53.050 0.038 0.000 1.192 2272 N CB -0.149 38.355 38.487 0.028 0.000 1.463 2272 N HN 0.419 nan 8.380 nan 0.000 0.539 2273 A N 1.697 124.545 122.820 0.046 0.000 2.346 2273 A HA 0.545 4.865 4.320 0.000 0.000 0.252 2273 A C 0.265 177.833 177.584 -0.025 0.000 1.089 2273 A CA -0.144 51.920 52.037 0.044 0.000 0.797 2273 A CB 0.371 19.395 19.000 0.041 0.000 1.047 2273 A HN 0.660 nan 8.150 nan 0.000 0.494 2274 M N 1.113 120.687 119.600 -0.043 0.000 2.224 2274 M HA 0.390 4.870 4.480 0.000 0.000 0.281 2274 M C -1.142 174.961 176.300 -0.329 0.000 1.025 2274 M CA 0.097 55.251 55.300 -0.244 0.000 0.954 2274 M CB 1.985 34.472 32.600 -0.188 0.000 1.639 2274 M HN 0.601 nan 8.290 nan 0.000 0.461 2275 L N 4.219 125.147 121.223 -0.493 0.000 2.316 2275 L HA 0.671 5.011 4.340 0.000 0.000 0.280 2275 L C -1.783 174.821 176.870 -0.443 0.000 1.006 2275 L CA -0.392 54.178 54.840 -0.450 0.000 0.836 2275 L CB 0.604 42.409 42.059 -0.422 0.000 1.221 2275 L HN 0.548 nan 8.230 nan 0.000 0.418 2276 F N 4.168 124.014 119.950 -0.173 0.000 2.422 2276 F HA 0.594 5.121 4.527 0.000 0.000 0.333 2276 F C 0.047 175.791 175.800 -0.093 0.000 1.095 2276 F CA -0.843 57.126 58.000 -0.052 0.000 1.038 2276 F CB 1.783 40.772 39.000 -0.018 0.000 1.156 2276 F HN 0.009 nan 8.300 nan 0.000 0.483 2277 V N 1.564 121.602 119.914 0.206 0.000 2.444 2277 V HA 0.663 4.783 4.120 0.000 0.000 0.294 2277 V C 0.238 176.380 176.094 0.079 0.000 1.022 2277 V CA -0.993 61.391 62.300 0.140 0.000 0.850 2277 V CB 1.001 32.929 31.823 0.175 0.000 0.992 2277 V HN 1.038 nan 8.190 nan 0.000 0.426 2278 G N 3.381 112.131 108.800 -0.083 0.000 2.385 2278 G HA2 0.329 4.289 3.960 0.000 0.000 0.294 2278 G HA3 0.329 4.289 3.960 0.000 0.000 0.294 2278 G C 0.550 175.524 174.900 0.124 0.000 1.070 2278 G CA 0.264 45.214 45.100 -0.250 0.000 1.172 2278 G HN 2.252 nan 8.290 nan 0.000 0.516 2279 G N -1.424 107.439 108.800 0.105 0.000 2.343 2279 G HA2 0.478 4.438 3.960 0.000 0.000 0.562 2279 G HA3 0.478 4.438 3.960 0.000 0.000 0.562 2279 G C -1.238 173.639 174.900 -0.039 0.000 1.269 2279 G CA -0.080 45.071 45.100 0.085 0.000 1.011 2279 G HN 1.805 nan 8.290 nan 0.000 0.498 2280 L N -0.648 120.489 121.223 -0.143 0.000 2.472 2280 L HA 0.819 5.159 4.340 0.000 0.000 0.260 2280 L C 0.210 176.895 176.870 -0.309 0.000 0.963 2280 L CA -0.255 54.326 54.840 -0.431 0.000 0.829 2280 L CB 2.282 43.979 42.059 -0.603 0.000 1.348 2280 L HN 0.913 nan 8.230 nan 0.000 0.408 2281 T N 2.353 116.675 114.554 -0.387 0.000 2.875 2281 T HA 0.395 4.746 4.350 0.000 0.000 0.284 2281 T C 1.006 175.617 174.700 -0.149 0.000 0.995 2281 T CA 0.215 62.268 62.100 -0.079 0.000 1.060 2281 T CB 1.490 70.516 68.868 0.262 0.000 0.967 2281 T HN 0.829 nan 8.240 nan 0.000 0.476 2282 G N 0.951 109.706 108.800 -0.076 0.000 2.708 2282 G HA2 -0.013 3.947 3.960 0.000 0.000 0.210 2282 G HA3 -0.013 3.947 3.960 0.000 0.000 0.210 2282 G C 1.515 176.393 174.900 -0.036 0.000 1.141 2282 G CA 0.640 45.694 45.100 -0.077 0.000 0.788 2282 G HN 0.779 nan 8.290 nan 0.000 0.531 2283 K N -0.120 120.293 120.400 0.022 0.000 2.365 2283 K HA 0.407 4.727 4.320 0.000 0.000 0.199 2283 K C 0.800 177.443 176.600 0.072 0.000 1.045 2283 K CA 0.658 56.985 56.287 0.066 0.000 0.962 2283 K CB -0.026 32.551 32.500 0.128 0.000 0.759 2283 K HN 0.498 nan 8.250 nan 0.000 0.469 2284 I N 0.551 121.137 120.570 0.026 0.000 2.730 2284 I HA 0.294 4.464 4.170 0.000 0.000 0.298 2284 I C -1.285 174.770 176.117 -0.104 0.000 1.089 2284 I CA -1.498 59.813 61.300 0.018 0.000 1.041 2284 I CB 2.355 40.430 38.000 0.124 0.000 1.235 2284 I HN 0.281 nan 8.210 nan 0.000 0.423 2285 K N 6.514 126.873 120.400 -0.067 0.000 2.253 2285 K HA 0.389 4.709 4.320 0.000 0.000 0.277 2285 K C -0.751 175.751 176.600 -0.164 0.000 1.053 2285 K CA -0.804 55.413 56.287 -0.116 0.000 0.892 2285 K CB 1.209 33.670 32.500 -0.066 0.000 1.102 2285 K HN 0.502 nan 8.250 nan 0.000 0.469 2286 K N 1.883 122.100 120.400 -0.304 0.000 2.380 2286 K HA 0.198 4.518 4.320 0.000 0.000 0.267 2286 K C -0.167 176.266 176.600 -0.278 0.000 0.990 2286 K CA -0.447 55.575 56.287 -0.442 0.000 0.946 2286 K CB 0.560 32.752 32.500 -0.514 0.000 0.937 2286 K HN 0.617 nan 8.250 nan 0.000 0.491 2287 A N 2.404 125.014 122.820 -0.350 0.000 2.445 2287 A HA 0.023 4.343 4.320 0.000 0.000 0.242 2287 A C 0.471 177.897 177.584 -0.264 0.000 1.075 2287 A CA -0.416 51.387 52.037 -0.390 0.000 0.777 2287 A CB 0.123 18.492 19.000 -1.052 0.000 1.013 2287 A HN 0.925 nan 8.150 nan 0.000 0.493 2288 D N 2.039 122.351 120.400 -0.147 0.000 2.123 2288 D HA -0.189 4.451 4.640 0.000 0.000 0.196 2288 D C 2.126 178.374 176.300 -0.086 0.000 0.992 2288 D CA 1.876 55.817 54.000 -0.098 0.000 0.833 2288 D CB -0.357 40.410 40.800 -0.055 0.000 0.954 2288 D HN 0.697 nan 8.370 nan 0.000 0.455 2289 A N 0.904 123.684 122.820 -0.067 0.000 2.032 2289 A HA -0.107 4.213 4.320 0.000 0.000 0.221 2289 A C 1.397 178.967 177.584 -0.023 0.000 1.165 2289 A CA 0.646 52.674 52.037 -0.016 0.000 0.645 2289 A CB -0.282 18.764 19.000 0.076 0.000 0.807 2289 A HN 0.123 nan 8.150 nan 0.000 0.453 2290 V N 0.038 119.901 119.914 -0.085 0.000 2.408 2290 V HA 0.426 4.547 4.120 0.000 0.000 0.267 2290 V C 1.735 177.783 176.094 -0.076 0.000 1.047 2290 V CA 0.482 62.748 62.300 -0.058 0.000 0.937 2290 V CB 0.563 32.323 31.823 -0.104 0.000 0.999 2290 V HN 0.574 nan 8.190 nan 0.000 0.472 2291 R N 4.034 124.511 120.500 -0.038 0.000 2.189 2291 R HA 0.405 4.745 4.340 0.000 0.000 0.203 2291 R C 0.474 176.747 176.300 -0.046 0.000 1.012 2291 R CA 0.761 56.835 56.100 -0.043 0.000 1.015 2291 R CB 0.086 30.372 30.300 -0.023 0.000 0.938 2291 R HN 0.515 nan 8.270 nan 0.000 0.472 2292 V N 1.582 121.476 119.914 -0.034 0.000 2.540 2292 V HA 0.387 4.507 4.120 0.000 0.000 0.302 2292 V C 0.441 176.507 176.094 -0.047 0.000 1.035 2292 V CA -0.494 61.788 62.300 -0.030 0.000 0.873 2292 V CB 1.856 33.681 31.823 0.004 0.000 0.992 2292 V HN 0.523 nan 8.190 nan 0.000 0.428 2293 I N 1.409 121.937 120.570 -0.071 0.000 3.927 2293 I HA 0.356 4.526 4.170 0.000 0.000 0.332 2293 I C 0.650 176.739 176.117 -0.047 0.000 1.485 2293 I CA -0.091 61.144 61.300 -0.108 0.000 1.131 2293 I CB 0.513 38.397 38.000 -0.194 0.000 1.092 2293 I HN 0.630 nan 8.210 nan 0.000 0.410 2294 T N -1.472 113.088 114.554 0.011 0.000 2.938 2294 T HA 0.663 5.013 4.350 0.000 0.000 0.285 2294 T C -0.929 173.875 174.700 0.172 0.000 1.028 2294 T CA -0.564 61.572 62.100 0.059 0.000 1.005 2294 T CB 2.538 71.417 68.868 0.018 0.000 1.157 2294 T HN 0.196 nan 8.240 nan 0.000 0.550 2295 F N 0.614 120.568 119.950 0.006 0.000 2.607 2295 F HA 0.531 5.058 4.527 0.000 0.000 0.322 2295 F C -1.156 174.655 175.800 0.018 0.000 1.176 2295 F CA -0.583 57.431 58.000 0.024 0.000 0.977 2295 F CB 1.838 40.869 39.000 0.051 0.000 1.242 2295 F HN 0.715 nan 8.300 nan 0.000 0.465 2296 T N 5.369 119.490 114.554 -0.722 0.000 2.874 2296 T HA 0.745 5.096 4.350 0.000 0.000 0.321 2296 T C 0.207 174.396 174.700 -0.851 0.000 1.075 2296 T CA 0.043 61.764 62.100 -0.631 0.000 0.966 2296 T CB 0.738 69.430 68.868 -0.294 0.000 1.001 2296 T HN 1.118 nan 8.240 nan 0.000 0.476 2297 G N 0.910 109.166 108.800 -0.907 0.000 2.591 2297 G HA2 0.355 4.315 3.960 0.000 0.000 0.104 2297 G HA3 0.355 4.315 3.960 0.000 0.000 0.104 2297 G C -1.555 173.224 174.900 -0.201 0.000 1.097 2297 G CA -0.031 44.742 45.100 -0.546 0.000 1.076 2297 G HN 0.803 nan 8.290 nan 0.000 0.485 2298 c N 0.748 119.412 118.600 0.107 0.000 2.701 2298 c HA 0.790 5.361 4.570 0.000 0.000 0.336 2298 c C -0.630 173.738 174.090 0.463 0.000 1.123 2298 c CA -0.698 55.800 56.329 0.283 0.000 1.326 2298 c CB 0.575 43.136 42.510 0.086 0.000 1.833 2298 c HN 0.722 nan 8.230 nan 0.000 0.473 2299 M N 3.766 123.659 119.600 0.488 0.000 2.478 2299 M HA 0.546 5.026 4.480 0.000 0.000 0.327 2299 M C 0.653 177.264 176.300 0.517 0.000 1.187 2299 M CA 0.000 55.546 55.300 0.409 0.000 1.022 2299 M CB 1.209 33.919 32.600 0.182 0.000 1.629 2299 M HN 0.946 nan 8.290 nan 0.000 0.461 2300 G N 0.762 109.865 108.800 0.506 0.000 2.887 2300 G HA2 0.542 4.502 3.960 0.000 0.000 0.277 2300 G HA3 0.542 4.502 3.960 0.000 0.000 0.277 2300 G C -1.037 174.005 174.900 0.237 0.000 1.346 2300 G CA -0.609 44.663 45.100 0.287 0.000 1.058 2300 G HN 0.600 nan 8.290 nan 0.000 0.535 2301 E N 0.304 120.590 120.200 0.143 0.000 2.652 2301 E HA 0.232 4.582 4.350 0.000 0.000 0.255 2301 E C -0.063 176.722 176.600 0.308 0.000 0.952 2301 E CA 0.807 57.304 56.400 0.162 0.000 0.947 2301 E CB 0.341 30.116 29.700 0.125 0.000 0.912 2301 E HN 0.244 nan 8.360 nan 0.000 0.489 2302 T N 3.290 117.893 114.554 0.082 0.000 2.794 2302 T HA 0.417 4.767 4.350 0.000 0.000 0.280 2302 T C -0.912 173.779 174.700 -0.015 0.000 0.987 2302 T CA -0.536 61.618 62.100 0.090 0.000 0.993 2302 T CB 0.308 69.195 68.868 0.031 0.000 0.939 2302 T HN 0.228 nan 8.240 nan 0.000 0.449 2303 Y N 1.875 122.169 120.300 -0.010 0.000 2.350 2303 Y HA 0.616 5.166 4.550 0.000 0.000 0.338 2303 Y C -0.693 175.215 175.900 0.013 0.000 0.961 2303 Y CA -1.519 56.576 58.100 -0.008 0.000 1.100 2303 Y CB 1.429 39.865 38.460 -0.041 0.000 1.179 2303 Y HN 0.654 nan 8.280 nan 0.000 0.454 2304 F N 3.875 123.839 119.950 0.024 0.000 2.507 2304 F HA 0.460 4.988 4.527 0.000 0.000 0.328 2304 F C -0.466 175.335 175.800 0.002 0.000 1.136 2304 F CA -1.228 56.759 58.000 -0.021 0.000 0.930 2304 F CB 0.994 40.014 39.000 0.034 0.000 1.166 2304 F HN 0.623 nan 8.300 nan 0.000 0.436 2305 D N 4.929 124.923 120.400 -0.676 0.000 2.718 2305 D HA -0.245 4.395 4.640 0.000 0.000 0.242 2305 D C 0.018 176.242 176.300 -0.128 0.000 1.123 2305 D CA 1.213 54.942 54.000 -0.452 0.000 0.690 2305 D CB -0.895 39.632 40.800 -0.455 0.000 1.059 2305 D HN 0.736 nan 8.370 nan 0.000 0.429 2306 N N -3.273 115.389 118.700 -0.063 0.000 2.681 2306 N HA -0.256 4.484 4.740 0.000 0.000 0.250 2306 N C 0.197 175.777 175.510 0.116 0.000 1.133 2306 N CA 1.967 55.037 53.050 0.032 0.000 0.732 2306 N CB -1.344 37.147 38.487 0.006 0.000 1.107 2306 N HN 0.831 nan 8.380 nan 0.000 0.559 2307 K N -0.254 120.225 120.400 0.132 0.000 2.426 2307 K HA 0.699 5.019 4.320 0.000 0.000 0.251 2307 K C -2.937 173.663 176.600 -0.000 0.000 0.941 2307 K CA -1.487 54.858 56.287 0.097 0.000 0.808 2307 K CB 1.771 34.304 32.500 0.055 0.000 1.265 2307 K HN -0.212 nan 8.250 nan 0.000 0.432 2308 P HA 0.500 nan 4.420 nan 0.000 0.272 2308 P C -0.438 176.726 177.300 -0.227 0.000 1.240 2308 P CA -0.448 62.400 63.100 -0.420 0.000 0.791 2308 P CB 0.528 32.006 31.700 -0.370 0.000 0.978 2315 R N 0.726 121.009 120.500 -0.361 0.000 2.096 2315 R HA 0.281 4.621 4.340 0.000 0.000 0.235 2315 R C 0.410 176.608 176.300 -0.169 0.000 1.127 2315 R CA 2.180 58.165 56.100 -0.191 0.000 0.968 2315 R CB -0.429 29.777 30.300 -0.155 0.000 0.861 2315 R HN 0.951 nan 8.270 nan 0.000 0.440 2316 E N -1.789 118.280 120.200 -0.217 0.000 2.311 2316 E HA 0.486 4.836 4.350 0.000 0.000 0.281 2316 E C -1.557 174.955 176.600 -0.146 0.000 0.905 2316 E CA -0.289 56.026 56.400 -0.141 0.000 0.778 2316 E CB 1.983 31.625 29.700 -0.097 0.000 1.240 2316 E HN 0.308 nan 8.360 nan 0.000 0.410 2317 K N 1.231 121.574 120.400 -0.094 0.000 2.464 2317 K HA 0.601 4.922 4.320 0.000 0.000 0.252 2317 K C -0.321 176.267 176.600 -0.020 0.000 1.000 2317 K CA -0.345 55.905 56.287 -0.063 0.000 0.951 2317 K CB 0.961 33.426 32.500 -0.059 0.000 1.183 2317 K HN 0.587 nan 8.250 nan 0.000 0.445 2318 E N 0.367 120.569 120.200 0.003 0.000 2.283 2318 E HA 0.730 5.080 4.350 0.000 0.000 0.278 2318 E C 0.848 177.461 176.600 0.022 0.000 1.027 2318 E CA -0.058 56.351 56.400 0.015 0.000 0.843 2318 E CB 0.613 30.331 29.700 0.030 0.000 1.062 2318 E HN 2.266 nan 8.360 nan 0.000 0.401 2319 G N 1.163 109.972 108.800 0.016 0.000 2.631 2319 G HA2 0.017 3.977 3.960 0.000 0.000 0.504 2319 G HA3 0.017 3.977 3.960 0.000 0.000 0.504 2319 G C -0.569 174.342 174.900 0.018 0.000 1.306 2319 G CA -0.204 44.907 45.100 0.019 0.000 0.897 2319 G HN 1.004 nan 8.290 nan 0.000 0.520 2320 D N -0.184 120.228 120.400 0.020 0.000 2.456 2320 D HA 0.544 5.184 4.640 0.000 0.000 0.219 2320 D C 0.689 177.007 176.300 0.029 0.000 1.126 2320 D CA -0.195 53.816 54.000 0.020 0.000 0.890 2320 D CB -0.179 40.629 40.800 0.015 0.000 1.025 2320 D HN 0.641 nan 8.370 nan 0.000 0.511 2321 c N 3.142 121.762 118.600 0.034 0.000 2.382 2321 c HA 1.026 5.596 4.570 0.000 0.000 0.363 2321 c C 0.615 174.733 174.090 0.046 0.000 1.213 2321 c CA -0.450 55.908 56.329 0.048 0.000 2.363 2321 c CB 0.317 42.859 42.510 0.053 0.000 2.397 2321 c HN 0.785 nan 8.230 nan 0.000 0.573 2322 K N 0.339 120.775 120.400 0.059 0.000 2.658 2322 K HA 0.728 5.048 4.320 0.000 0.000 0.293 2322 K C -0.139 176.506 176.600 0.074 0.000 1.026 2322 K CA 0.019 56.340 56.287 0.056 0.000 0.871 2322 K CB -0.012 32.513 32.500 0.042 0.000 1.524 2322 K HN 1.337 nan 8.250 nan 0.000 0.400 2323 G N -0.542 108.300 108.800 0.071 0.000 2.516 2323 G HA2 0.503 4.463 3.960 0.000 0.000 0.276 2323 G HA3 0.503 4.463 3.960 0.000 0.000 0.276 2323 G C 0.323 175.279 174.900 0.093 0.000 1.390 2323 G CA 0.482 45.636 45.100 0.090 0.000 1.050 2323 G HN 1.312 nan 8.290 nan 0.000 0.519 2334 E N 2.312 122.491 120.200 -0.034 0.000 2.077 2334 E HA 0.010 4.361 4.350 0.000 0.000 0.193 2334 E C 1.213 177.792 176.600 -0.035 0.000 0.989 2334 E CA 1.239 57.612 56.400 -0.045 0.000 0.800 2334 E CB -0.261 29.401 29.700 -0.064 0.000 0.746 2334 E HN 0.735 nan 8.360 nan 0.000 0.452 2335 G N 1.824 110.606 108.800 -0.030 0.000 2.359 2335 G HA2 -0.242 3.719 3.960 0.000 0.000 0.298 2335 G HA3 -0.242 3.719 3.960 0.000 0.000 0.298 2335 G C -0.069 174.820 174.900 -0.019 0.000 1.030 2335 G CA 0.555 45.636 45.100 -0.032 0.000 1.149 2335 G HN 0.281 nan 8.290 nan 0.000 0.512 2336 T N 0.946 115.501 114.554 0.002 0.000 2.853 2336 T HA 0.472 4.822 4.350 0.000 0.000 0.298 2336 T C 1.026 175.752 174.700 0.043 0.000 0.978 2336 T CA 0.932 63.073 62.100 0.069 0.000 1.152 2336 T CB 0.694 69.624 68.868 0.103 0.000 0.914 2336 T HN 0.995 nan 8.240 nan 0.000 0.539 2337 I N 0.748 121.362 120.570 0.075 0.000 2.828 2337 I HA 0.691 4.861 4.170 0.000 0.000 0.302 2337 I C -0.816 175.311 176.117 0.017 0.000 1.101 2337 I CA -1.369 59.897 61.300 -0.057 0.000 1.031 2337 I CB 2.463 40.315 38.000 -0.246 0.000 1.231 2337 I HN 0.402 nan 8.210 nan 0.000 0.427 2338 Q N 2.928 122.659 119.800 -0.115 0.000 2.321 2338 Q HA 0.584 4.924 4.340 0.000 0.000 0.270 2338 Q C -2.113 173.811 176.000 -0.127 0.000 1.032 2338 Q CA -0.539 55.249 55.803 -0.026 0.000 0.784 2338 Q CB 1.989 30.703 28.738 -0.040 0.000 1.264 2338 Q HN 0.627 nan 8.270 nan 0.000 0.448 2339 F N 1.896 121.834 119.950 -0.020 0.000 2.450 2339 F HA 0.331 4.858 4.527 0.000 0.000 0.332 2339 F C -0.081 175.646 175.800 -0.121 0.000 1.093 2339 F CA -0.724 57.266 58.000 -0.016 0.000 1.003 2339 F CB 1.805 40.867 39.000 0.103 0.000 1.151 2339 F HN 0.580 nan 8.300 nan 0.000 0.474 2340 D N 1.149 121.607 120.400 0.095 0.000 2.980 2340 D HA 0.356 4.996 4.640 0.000 0.000 0.333 2340 D C 0.955 177.253 176.300 -0.004 0.000 1.356 2340 D CA 0.187 54.163 54.000 -0.040 0.000 0.847 2340 D CB 0.600 41.353 40.800 -0.079 0.000 1.122 2340 D HN 0.831 nan 8.370 nan 0.000 0.475 2341 G N 1.030 109.881 108.800 0.086 0.000 2.155 2341 G HA2 -0.343 3.617 3.960 0.000 0.000 0.257 2341 G HA3 -0.343 3.617 3.960 0.000 0.000 0.257 2341 G C 0.573 175.667 174.900 0.324 0.000 0.983 2341 G CA -0.034 45.217 45.100 0.251 0.000 0.676 2341 G HN 0.469 nan 8.290 nan 0.000 0.528 2342 E N -0.691 119.657 120.200 0.246 0.000 3.254 2342 E HA 0.447 4.797 4.350 0.000 0.000 0.184 2342 E C 0.687 177.387 176.600 0.168 0.000 0.967 2342 E CA 0.192 56.712 56.400 0.199 0.000 1.311 2342 E CB 0.818 30.623 29.700 0.174 0.000 1.071 2342 E HN 0.625 nan 8.360 nan 0.000 0.456 2343 G N 0.425 109.369 108.800 0.240 0.000 2.725 2343 G HA2 0.616 4.576 3.960 0.000 0.000 0.288 2343 G HA3 0.616 4.576 3.960 0.000 0.000 0.288 2343 G C -1.458 173.667 174.900 0.376 0.000 1.399 2343 G CA -0.603 44.615 45.100 0.196 0.000 0.859 2343 G HN 0.093 nan 8.290 nan 0.000 0.479 2344 Y N -3.171 117.387 120.300 0.430 0.000 2.840 2344 Y HA 0.885 5.435 4.550 0.000 0.000 0.324 2344 Y C -0.412 175.799 175.900 0.518 0.000 1.378 2344 Y CA -1.683 56.674 58.100 0.428 0.000 1.077 2344 Y CB 1.177 39.801 38.460 0.275 0.000 1.361 2344 Y HN 1.454 nan 8.280 nan 0.000 0.459 2345 A N 1.062 124.367 122.820 0.808 0.000 2.577 2345 A HA 0.722 5.042 4.320 0.000 0.000 0.297 2345 A C -1.984 175.918 177.584 0.529 0.000 1.060 2345 A CA -0.807 51.603 52.037 0.621 0.000 0.697 2345 A CB 0.946 20.237 19.000 0.486 0.000 1.281 2345 A HN 1.144 nan 8.150 nan 0.000 0.402 2346 L N -0.357 121.073 121.223 0.345 0.000 2.301 2346 L HA 1.015 5.356 4.340 0.000 0.000 0.264 2346 L C -0.796 176.102 176.870 0.047 0.000 1.016 2346 L CA -1.339 53.547 54.840 0.075 0.000 0.821 2346 L CB 1.902 43.872 42.059 -0.149 0.000 1.346 2346 L HN 0.383 nan 8.230 nan 0.000 0.429 2347 V N 0.259 120.125 119.914 -0.081 0.000 2.668 2347 V HA 0.290 4.411 4.120 0.000 0.000 0.304 2347 V C -0.050 175.935 176.094 -0.182 0.000 1.071 2347 V CA -0.253 61.955 62.300 -0.154 0.000 0.894 2347 V CB 2.223 33.813 31.823 -0.388 0.000 1.008 2347 V HN 0.910 nan 8.190 nan 0.000 0.425 2348 S N 3.571 119.233 115.700 -0.064 0.000 2.579 2348 S HA 0.274 4.744 4.470 0.000 0.000 0.275 2348 S C 0.372 174.951 174.600 -0.035 0.000 1.345 2348 S CA -0.215 57.956 58.200 -0.048 0.000 1.031 2348 S CB 0.332 63.548 63.200 0.027 0.000 0.892 2348 S HN 0.706 nan 8.310 nan 0.000 0.529 2349 R N 3.286 123.732 120.500 -0.090 0.000 2.538 2349 R HA 0.059 4.399 4.340 0.000 0.000 0.282 2349 R C -2.232 174.136 176.300 0.113 0.000 1.009 2349 R CA -1.012 55.036 56.100 -0.087 0.000 1.063 2349 R CB 0.042 30.176 30.300 -0.277 0.000 0.945 2349 R HN 0.336 nan 8.270 nan 0.000 0.414 2350 P HA -0.029 nan 4.420 nan 0.000 0.271 2350 P C 0.924 178.387 177.300 0.272 0.000 1.216 2350 P CA 0.046 63.351 63.100 0.341 0.000 0.771 2350 P CB 0.490 32.455 31.700 0.442 0.000 0.864 2351 I N 0.658 121.345 120.570 0.195 0.000 2.454 2351 I HA -0.155 4.016 4.170 0.000 0.000 0.254 2351 I C 1.829 178.067 176.117 0.202 0.000 1.156 2351 I CA 1.019 62.420 61.300 0.168 0.000 1.433 2351 I CB -0.597 37.473 38.000 0.116 0.000 1.082 2351 I HN 0.215 nan 8.210 nan 0.000 0.432 2352 R N 0.838 121.458 120.500 0.200 0.000 2.346 2352 R HA -0.016 4.324 4.340 0.000 0.000 0.199 2352 R C 0.412 176.856 176.300 0.240 0.000 1.015 2352 R CA -0.136 56.071 56.100 0.178 0.000 1.058 2352 R CB -0.123 30.251 30.300 0.123 0.000 0.921 2352 R HN 0.520 nan 8.270 nan 0.000 0.475 2353 W N 1.053 122.424 121.300 0.119 0.000 2.469 2353 W HA -0.065 4.595 4.660 0.000 0.000 0.321 2353 W C -1.373 175.237 176.519 0.153 0.000 1.415 2353 W CA -0.057 57.360 57.345 0.120 0.000 1.308 2353 W CB 0.143 29.653 29.460 0.083 0.000 1.368 2353 W HN 0.019 nan 8.180 nan 0.000 0.546 2354 Y N 10.812 130.917 120.300 -0.325 0.000 2.402 2354 Y HA 0.222 4.773 4.550 0.000 0.000 0.332 2354 Y C -1.191 174.475 175.900 -0.389 0.000 0.960 2354 Y CA -2.586 55.384 58.100 -0.216 0.000 1.228 2354 Y CB 0.980 39.345 38.460 -0.158 0.000 1.120 2354 Y HN 0.268 nan 8.280 nan 0.000 0.491 2355 P HA -0.290 nan 4.420 nan 0.000 0.220 2355 P C 0.260 177.437 177.300 -0.206 0.000 1.155 2355 P CA 1.837 64.817 63.100 -0.199 0.000 0.880 2355 P CB 0.516 32.157 31.700 -0.099 0.000 0.790 2356 N N -0.893 117.646 118.700 -0.267 0.000 2.336 2356 N HA 0.187 4.927 4.740 0.000 0.000 0.189 2356 N C 0.461 175.952 175.510 -0.032 0.000 1.113 2356 N CA 0.282 53.287 53.050 -0.075 0.000 0.858 2356 N CB 0.234 38.721 38.487 -0.001 0.000 0.970 2356 N HN 0.300 nan 8.380 nan 0.000 0.471 2357 I N -0.076 120.473 120.570 -0.036 0.000 2.548 2357 I HA 0.208 4.378 4.170 0.000 0.000 0.287 2357 I C -0.681 175.287 176.117 -0.248 0.000 1.103 2357 I CA -0.361 60.889 61.300 -0.084 0.000 1.049 2357 I CB 1.999 40.007 38.000 0.013 0.000 1.232 2357 I HN -0.242 nan 8.210 nan 0.000 0.429 2358 S N 2.949 118.483 115.700 -0.276 0.000 2.578 2358 S HA 0.705 5.175 4.470 0.000 0.000 0.301 2358 S C -0.352 174.125 174.600 -0.206 0.000 1.091 2358 S CA -0.559 57.442 58.200 -0.332 0.000 1.032 2358 S CB 2.052 65.066 63.200 -0.310 0.000 1.064 2358 S HN 0.664 nan 8.310 nan 0.000 0.508 2359 T N 1.166 115.630 114.554 -0.149 0.000 3.335 2359 T HA 0.550 4.900 4.350 0.000 0.000 0.321 2359 T C -1.677 173.040 174.700 0.028 0.000 0.960 2359 T CA -0.395 61.663 62.100 -0.071 0.000 1.034 2359 T CB 0.338 69.166 68.868 -0.066 0.000 1.040 2359 T HN 0.315 nan 8.240 nan 0.000 0.454 2360 V N 6.654 126.601 119.914 0.055 0.000 2.638 2360 V HA 0.735 4.855 4.120 0.000 0.000 0.306 2360 V C -0.387 175.798 176.094 0.152 0.000 1.052 2360 V CA -0.655 61.768 62.300 0.204 0.000 0.885 2360 V CB 1.931 33.953 31.823 0.332 0.000 0.999 2360 V HN 0.949 nan 8.190 nan 0.000 0.424 2361 M N 5.870 125.617 119.600 0.245 0.000 2.470 2361 M HA 0.818 5.298 4.480 0.000 0.000 0.285 2361 M C -1.468 175.035 176.300 0.339 0.000 1.213 2361 M CA -0.429 54.950 55.300 0.132 0.000 0.901 2361 M CB 2.756 35.388 32.600 0.053 0.000 1.718 2361 M HN 0.729 nan 8.290 nan 0.000 0.469 2362 F N -1.121 119.014 119.950 0.308 0.000 2.804 2362 F HA 0.580 5.107 4.527 0.000 0.000 0.320 2362 F C -2.251 173.736 175.800 0.313 0.000 1.135 2362 F CA -1.341 56.818 58.000 0.265 0.000 0.947 2362 F CB 0.898 40.072 39.000 0.291 0.000 1.260 2362 F HN 0.397 nan 8.300 nan 0.000 0.447 2363 K N 2.253 122.947 120.400 0.490 0.000 2.164 2363 K HA 0.749 5.069 4.320 0.000 0.000 0.258 2363 K C -1.383 175.702 176.600 0.807 0.000 0.951 2363 K CA -0.741 55.791 56.287 0.407 0.000 0.844 2363 K CB 2.186 34.695 32.500 0.014 0.000 1.099 2363 K HN 0.641 nan 8.250 nan 0.000 0.435 2364 F N -0.568 119.796 119.950 0.690 0.000 2.620 2364 F HA 0.683 5.211 4.527 0.000 0.000 0.320 2364 F C -1.004 175.033 175.800 0.395 0.000 1.069 2364 F CA -1.237 57.135 58.000 0.620 0.000 0.953 2364 F CB 1.741 41.009 39.000 0.448 0.000 1.322 2364 F HN 0.382 nan 8.300 nan 0.000 0.479 2365 R N 2.082 122.676 120.500 0.156 0.000 2.518 2365 R HA 0.559 4.899 4.340 0.000 0.000 0.287 2365 R C -1.882 174.324 176.300 -0.157 0.000 1.135 2365 R CA -0.111 55.784 56.100 -0.342 0.000 0.967 2365 R CB 1.837 31.355 30.300 -1.302 0.000 1.212 2365 R HN 1.170 nan 8.270 nan 0.000 0.422 2366 T N 1.737 116.241 114.554 -0.083 0.000 2.711 2366 T HA 0.466 4.816 4.350 0.000 0.000 0.302 2366 T C -0.942 173.633 174.700 -0.209 0.000 1.373 2366 T CA -0.391 61.624 62.100 -0.141 0.000 1.000 2366 T CB 1.121 70.097 68.868 0.181 0.000 1.483 2366 T HN 0.471 nan 8.240 nan 0.000 0.499 2367 F N 0.479 120.424 119.950 -0.009 0.000 2.817 2367 F HA 0.349 4.876 4.527 0.000 0.000 0.333 2367 F C 1.232 177.031 175.800 -0.002 0.000 1.085 2367 F CA -0.729 57.261 58.000 -0.018 0.000 1.170 2367 F CB 1.043 40.004 39.000 -0.064 0.000 1.066 2367 F HN 0.322 nan 8.300 nan 0.000 0.564 2368 S N 0.442 116.243 115.700 0.169 0.000 2.564 2368 S HA 0.042 4.512 4.470 0.000 0.000 0.278 2368 S C 1.147 175.835 174.600 0.146 0.000 1.333 2368 S CA 0.182 58.455 58.200 0.122 0.000 1.048 2368 S CB 1.331 64.578 63.200 0.079 0.000 0.900 2368 S HN 0.365 nan 8.310 nan 0.000 0.505 2369 S N 0.677 116.448 115.700 0.118 0.000 2.506 2369 S HA 0.191 4.661 4.470 0.000 0.000 0.219 2369 S C 0.629 175.293 174.600 0.106 0.000 1.031 2369 S CA -0.213 58.057 58.200 0.116 0.000 0.911 2369 S CB 0.274 63.534 63.200 0.099 0.000 0.812 2369 S HN 0.502 nan 8.310 nan 0.000 0.497 2370 S N 0.704 116.461 115.700 0.095 0.000 2.733 2370 S HA 0.809 5.279 4.470 0.000 0.000 0.307 2370 S C -0.602 174.048 174.600 0.083 0.000 1.127 2370 S CA -0.025 58.221 58.200 0.077 0.000 1.097 2370 S CB 0.684 63.922 63.200 0.063 0.000 1.003 2370 S HN 0.913 nan 8.310 nan 0.000 0.477 2371 A N 3.480 126.342 122.820 0.070 0.000 2.599 2371 A HA 0.768 5.088 4.320 0.000 0.000 0.290 2371 A C -1.897 175.675 177.584 -0.021 0.000 1.101 2371 A CA -0.753 51.331 52.037 0.079 0.000 0.674 2371 A CB 1.078 20.228 19.000 0.250 0.000 1.277 2371 A HN 0.948 nan 8.150 nan 0.000 0.419 2372 L N 0.789 121.978 121.223 -0.057 0.000 2.307 2372 L HA 0.639 4.979 4.340 0.000 0.000 0.284 2372 L C -0.068 176.618 176.870 -0.305 0.000 1.023 2372 L CA -0.204 54.550 54.840 -0.144 0.000 0.810 2372 L CB 0.948 42.933 42.059 -0.124 0.000 1.231 2372 L HN 0.733 nan 8.230 nan 0.000 0.423 2373 L N 4.109 125.104 121.223 -0.380 0.000 2.362 2373 L HA 0.385 4.725 4.340 0.000 0.000 0.204 2373 L C 0.499 177.056 176.870 -0.522 0.000 1.060 2373 L CA 0.245 54.724 54.840 -0.602 0.000 0.827 2373 L CB 0.214 41.915 42.059 -0.598 0.000 1.027 2373 L HN 0.621 nan 8.230 nan 0.000 0.474 2374 M N -0.897 118.482 119.600 -0.368 0.000 2.471 2374 M HA 0.326 4.806 4.480 0.000 0.000 0.284 2374 M C -2.343 173.890 176.300 -0.111 0.000 1.203 2374 M CA -0.557 54.476 55.300 -0.445 0.000 0.915 2374 M CB 2.918 35.186 32.600 -0.553 0.000 1.734 2374 M HN -0.071 nan 8.290 nan 0.000 0.485 2375 Y N 4.911 125.076 120.300 -0.225 0.000 2.482 2375 Y HA 0.676 5.226 4.550 0.000 0.000 0.334 2375 Y C -2.344 173.589 175.900 0.055 0.000 1.091 2375 Y CA -0.921 57.165 58.100 -0.022 0.000 1.027 2375 Y CB 1.449 39.895 38.460 -0.024 0.000 1.306 2375 Y HN 0.708 nan 8.280 nan 0.000 0.446 2376 L N 3.047 123.911 121.223 -0.599 0.000 2.466 2376 L HA 1.133 5.473 4.340 0.000 0.000 0.258 2376 L C -1.408 175.130 176.870 -0.554 0.000 0.973 2376 L CA -0.921 53.608 54.840 -0.519 0.000 0.826 2376 L CB 1.771 43.684 42.059 -0.243 0.000 1.372 2376 L HN 0.908 nan 8.230 nan 0.000 0.409 2377 A N 0.298 122.881 122.820 -0.396 0.000 2.608 2377 A HA 0.841 5.162 4.320 0.000 0.000 0.292 2377 A C -0.405 177.131 177.584 -0.079 0.000 1.066 2377 A CA -0.049 51.895 52.037 -0.156 0.000 0.676 2377 A CB 1.199 20.127 19.000 -0.120 0.000 1.277 2377 A HN 1.135 nan 8.150 nan 0.000 0.413 2378 T N -1.621 112.928 114.554 -0.008 0.000 2.874 2378 T HA 0.561 4.911 4.350 0.000 0.000 0.281 2378 T C 1.581 176.286 174.700 0.009 0.000 0.994 2378 T CA 0.498 62.591 62.100 -0.012 0.000 1.015 2378 T CB 1.106 69.981 68.868 0.013 0.000 1.028 2378 T HN 1.697 nan 8.240 nan 0.000 0.523 2379 R N 0.914 121.415 120.500 0.001 0.000 2.159 2379 R HA -0.107 4.233 4.340 0.000 0.000 0.237 2379 R C 1.627 177.938 176.300 0.019 0.000 1.131 2379 R CA 2.218 58.324 56.100 0.011 0.000 0.982 2379 R CB -1.743 28.559 30.300 0.004 0.000 0.868 2379 R HN 0.996 nan 8.270 nan 0.000 0.453 2380 D N -1.425 118.988 120.400 0.023 0.000 2.350 2380 D HA 0.088 4.728 4.640 0.000 0.000 0.213 2380 D C 0.933 177.255 176.300 0.038 0.000 1.031 2380 D CA 0.354 54.370 54.000 0.026 0.000 0.861 2380 D CB 0.021 40.836 40.800 0.025 0.000 0.926 2380 D HN 0.435 nan 8.370 nan 0.000 0.520 2381 L N -1.538 119.718 121.223 0.054 0.000 5.081 2381 L HA -0.372 3.968 4.340 0.000 0.000 0.423 2381 L C 1.628 178.566 176.870 0.113 0.000 1.019 2381 L CA 1.155 56.041 54.840 0.078 0.000 1.223 2381 L CB -1.459 40.624 42.059 0.040 0.000 1.940 2381 L HN 0.097 nan 8.230 nan 0.000 0.675 2382 K N 0.320 120.777 120.400 0.095 0.000 2.063 2382 K HA -0.111 4.209 4.320 0.000 0.000 0.208 2382 K C 0.240 176.936 176.600 0.159 0.000 1.048 2382 K CA 1.703 58.054 56.287 0.107 0.000 0.928 2382 K CB -0.025 32.519 32.500 0.074 0.000 0.713 2382 K HN 0.353 nan 8.250 nan 0.000 0.442 2383 D N -0.974 119.522 120.400 0.160 0.000 2.256 2383 D HA 0.406 5.046 4.640 0.000 0.000 0.246 2383 D C -0.748 175.695 176.300 0.239 0.000 1.042 2383 D CA -0.401 53.703 54.000 0.174 0.000 0.841 2383 D CB 1.207 42.079 40.800 0.120 0.000 1.223 2383 D HN -0.002 nan 8.370 nan 0.000 0.470 2384 F N 0.346 120.346 119.950 0.082 0.000 2.773 2384 F HA 0.684 5.211 4.527 0.000 0.000 0.314 2384 F C -2.208 173.665 175.800 0.121 0.000 1.160 2384 F CA -1.147 56.875 58.000 0.037 0.000 0.920 2384 F CB 1.426 40.459 39.000 0.055 0.000 1.323 2384 F HN 0.281 nan 8.300 nan 0.000 0.457 2385 M N 3.065 122.487 119.600 -0.296 0.000 2.413 2385 M HA 0.678 5.158 4.480 0.000 0.000 0.287 2385 M C -1.924 174.472 176.300 0.160 0.000 1.186 2385 M CA -0.125 54.996 55.300 -0.299 0.000 0.927 2385 M CB 2.265 34.829 32.600 -0.060 0.000 1.715 2385 M HN 1.197 nan 8.290 nan 0.000 0.478 2386 S N 2.353 118.196 115.700 0.239 0.000 2.588 2386 S HA 0.923 5.394 4.470 0.000 0.000 0.275 2386 S C -1.636 173.063 174.600 0.165 0.000 1.130 2386 S CA -0.747 57.643 58.200 0.318 0.000 0.855 2386 S CB 2.212 65.714 63.200 0.504 0.000 1.116 2386 S HN 0.651 nan 8.310 nan 0.000 0.472 2387 V N 2.346 122.296 119.914 0.061 0.000 2.567 2387 V HA 0.623 4.743 4.120 0.000 0.000 0.298 2387 V C -0.548 175.475 176.094 -0.119 0.000 1.047 2387 V CA -0.421 61.851 62.300 -0.046 0.000 0.880 2387 V CB 1.141 32.885 31.823 -0.131 0.000 1.009 2387 V HN 1.074 nan 8.190 nan 0.000 0.429 2388 E N 4.987 125.131 120.200 -0.093 0.000 2.433 2388 E HA 0.672 5.022 4.350 0.000 0.000 0.273 2388 E C -1.903 174.642 176.600 -0.093 0.000 0.950 2388 E CA -1.069 55.265 56.400 -0.111 0.000 0.796 2388 E CB 2.505 32.178 29.700 -0.045 0.000 1.330 2388 E HN 0.293 nan 8.360 nan 0.000 0.455 2389 L N 1.264 122.444 121.223 -0.070 0.000 2.289 2389 L HA 0.428 4.768 4.340 0.000 0.000 0.285 2389 L C -0.403 176.499 176.870 0.054 0.000 1.049 2389 L CA -0.234 54.606 54.840 0.001 0.000 0.804 2389 L CB 1.251 43.327 42.059 0.029 0.000 1.195 2389 L HN 0.657 nan 8.230 nan 0.000 0.428 2390 S N 2.506 118.267 115.700 0.103 0.000 2.789 2390 S HA 0.365 4.835 4.470 0.000 0.000 0.286 2390 S C -0.105 174.589 174.600 0.156 0.000 1.153 2390 S CA -0.512 57.746 58.200 0.097 0.000 1.084 2390 S CB 0.002 63.243 63.200 0.067 0.000 1.036 2390 S HN 0.723 nan 8.310 nan 0.000 0.484 2391 D N 3.496 123.978 120.400 0.136 0.000 2.945 2391 D HA -0.160 4.480 4.640 0.000 0.000 0.225 2391 D C 1.043 177.491 176.300 0.246 0.000 1.158 2391 D CA 2.575 56.677 54.000 0.170 0.000 0.805 2391 D CB -1.213 39.676 40.800 0.149 0.000 1.098 2391 D HN 1.436 nan 8.370 nan 0.000 0.426 2392 G N -1.687 107.225 108.800 0.187 0.000 2.268 2392 G HA2 -0.350 3.610 3.960 0.000 0.000 0.240 2392 G HA3 -0.350 3.610 3.960 0.000 0.000 0.240 2392 G C 0.295 175.263 174.900 0.112 0.000 1.010 2392 G CA 0.383 45.562 45.100 0.132 0.000 0.618 2392 G HN 0.678 nan 8.290 nan 0.000 0.516 2393 H N -0.282 118.850 119.070 0.104 0.000 2.603 2393 H HA 0.570 5.126 4.556 0.000 0.000 0.370 2393 H C 0.455 175.885 175.328 0.171 0.000 1.225 2393 H CA 0.165 56.303 56.048 0.150 0.000 1.410 2393 H CB 1.209 31.036 29.762 0.109 0.000 1.495 2393 H HN 0.175 nan 8.280 nan 0.000 0.602 2394 V N 1.985 122.114 119.914 0.358 0.000 2.407 2394 V HA 0.200 4.320 4.120 0.000 0.000 0.278 2394 V C 0.133 176.336 176.094 0.182 0.000 1.037 2394 V CA -0.520 61.896 62.300 0.193 0.000 0.900 2394 V CB 0.891 32.836 31.823 0.204 0.000 0.983 2394 V HN 0.606 nan 8.190 nan 0.000 0.459 2395 K N 4.289 124.749 120.400 0.100 0.000 2.345 2395 K HA 0.738 5.058 4.320 0.000 0.000 0.255 2395 K C -1.707 174.955 176.600 0.103 0.000 0.934 2395 K CA -0.509 55.843 56.287 0.108 0.000 0.801 2395 K CB 2.092 34.642 32.500 0.083 0.000 1.137 2395 K HN 0.458 nan 8.250 nan 0.000 0.424 2396 V N 2.631 122.632 119.914 0.146 0.000 2.495 2396 V HA 0.470 4.591 4.120 0.000 0.000 0.298 2396 V C -0.828 175.364 176.094 0.163 0.000 1.031 2396 V CA -0.647 61.762 62.300 0.181 0.000 0.871 2396 V CB 1.870 33.851 31.823 0.263 0.000 0.988 2396 V HN 0.859 nan 8.190 nan 0.000 0.432 2397 S N 3.807 119.610 115.700 0.171 0.000 2.541 2397 S HA 0.885 5.355 4.470 0.000 0.000 0.280 2397 S C -1.417 173.125 174.600 -0.096 0.000 1.112 2397 S CA -0.689 57.568 58.200 0.094 0.000 0.925 2397 S CB 1.821 65.181 63.200 0.267 0.000 1.067 2397 S HN 0.844 nan 8.310 nan 0.000 0.479 2398 Y N -0.648 119.433 120.300 -0.364 0.000 2.592 2398 Y HA 0.800 5.350 4.550 0.000 0.000 0.334 2398 Y C -1.928 173.717 175.900 -0.425 0.000 1.136 2398 Y CA -0.983 56.692 58.100 -0.709 0.000 1.042 2398 Y CB 1.186 39.431 38.460 -0.358 0.000 1.325 2398 Y HN 0.505 nan 8.280 nan 0.000 0.457 2399 D N 2.196 122.426 120.400 -0.285 0.000 2.879 2399 D HA 0.402 5.042 4.640 0.000 0.000 0.236 2399 D C -0.597 175.772 176.300 0.115 0.000 1.171 2399 D CA -0.551 53.454 54.000 0.008 0.000 0.868 2399 D CB 2.346 43.260 40.800 0.190 0.000 1.598 2399 D HN 0.811 nan 8.370 nan 0.000 0.497 2400 L N 2.209 123.525 121.223 0.154 0.000 2.640 2400 L HA 0.378 4.719 4.340 0.000 0.000 0.230 2400 L C 1.531 178.474 176.870 0.121 0.000 1.123 2400 L CA 0.330 55.263 54.840 0.155 0.000 0.900 2400 L CB 0.388 42.562 42.059 0.191 0.000 1.146 2400 L HN 0.741 nan 8.230 nan 0.000 0.484 2401 G N -0.781 108.086 108.800 0.111 0.000 2.211 2401 G HA2 -0.241 3.719 3.960 0.000 0.000 0.201 2401 G HA3 -0.241 3.719 3.960 0.000 0.000 0.201 2401 G C 0.865 175.806 174.900 0.068 0.000 0.997 2401 G CA 0.369 45.521 45.100 0.087 0.000 0.652 2401 G HN 0.246 nan 8.290 nan 0.000 0.500 2402 S N -0.229 115.514 115.700 0.072 0.000 2.526 2402 S HA 0.576 5.046 4.470 0.000 0.000 0.220 2402 S C 0.746 175.376 174.600 0.051 0.000 1.017 2402 S CA 1.004 59.237 58.200 0.055 0.000 0.930 2402 S CB 1.424 64.659 63.200 0.059 0.000 0.856 2402 S HN 1.994 nan 8.310 nan 0.000 0.497 2403 G N 1.635 110.468 108.800 0.056 0.000 2.238 2403 G HA2 0.230 4.190 3.960 0.000 0.000 0.276 2403 G HA3 0.230 4.190 3.960 0.000 0.000 0.276 2403 G C -1.041 173.866 174.900 0.012 0.000 1.744 2403 G CA -0.888 44.234 45.100 0.038 0.000 0.912 2403 G HN 0.105 nan 8.290 nan 0.000 0.744 2404 M N 1.608 121.218 119.600 0.017 0.000 2.255 2404 M HA 0.745 5.226 4.480 0.000 0.000 0.336 2404 M C -0.257 175.974 176.300 -0.114 0.000 1.135 2404 M CA -0.011 55.273 55.300 -0.027 0.000 1.145 2404 M CB 1.719 34.388 32.600 0.115 0.000 1.473 2404 M HN 0.697 nan 8.290 nan 0.000 0.462 2405 T N 1.619 116.011 114.554 -0.271 0.000 2.841 2405 T HA 0.721 5.072 4.350 0.000 0.000 0.296 2405 T C -1.739 172.814 174.700 -0.245 0.000 1.166 2405 T CA -0.353 61.587 62.100 -0.266 0.000 1.007 2405 T CB 1.463 70.111 68.868 -0.367 0.000 1.253 2405 T HN 0.903 nan 8.240 nan 0.000 0.511 2406 S N 0.815 116.442 115.700 -0.121 0.000 2.560 2406 S HA 0.615 5.086 4.470 0.000 0.000 0.283 2406 S C -1.266 173.341 174.600 0.012 0.000 1.141 2406 S CA -0.672 57.508 58.200 -0.033 0.000 0.902 2406 S CB 0.549 63.763 63.200 0.023 0.000 1.104 2406 S HN 1.154 nan 8.310 nan 0.000 0.454 2407 V N 0.254 120.202 119.914 0.057 0.000 2.769 2407 V HA 0.964 5.084 4.120 0.000 0.000 0.312 2407 V C -0.488 175.664 176.094 0.097 0.000 1.061 2407 V CA -0.877 61.467 62.300 0.073 0.000 0.931 2407 V CB 1.435 33.313 31.823 0.091 0.000 1.010 2407 V HN 0.872 nan 8.190 nan 0.000 0.433 2408 V N 2.973 122.938 119.914 0.085 0.000 2.495 2408 V HA 0.575 4.695 4.120 0.000 0.000 0.298 2408 V C 0.618 176.800 176.094 0.147 0.000 1.031 2408 V CA -0.138 62.223 62.300 0.103 0.000 0.871 2408 V CB 1.885 33.722 31.823 0.024 0.000 0.988 2408 V HN 1.236 nan 8.190 nan 0.000 0.432 2409 S N 3.242 119.088 115.700 0.243 0.000 2.589 2409 S HA 0.139 4.609 4.470 0.000 0.000 0.265 2409 S C 0.788 175.598 174.600 0.350 0.000 1.342 2409 S CA -0.202 58.175 58.200 0.296 0.000 1.005 2409 S CB 0.532 63.975 63.200 0.405 0.000 0.909 2409 S HN 0.677 nan 8.310 nan 0.000 0.555 2410 N N 0.700 119.562 118.700 0.269 0.000 2.250 2410 N HA 0.070 4.811 4.740 0.000 0.000 0.181 2410 N C 0.196 175.861 175.510 0.258 0.000 1.017 2410 N CA 0.901 54.093 53.050 0.236 0.000 0.866 2410 N CB -0.318 38.255 38.487 0.142 0.000 0.985 2410 N HN 0.568 nan 8.380 nan 0.000 0.429 2411 Q N 0.571 120.447 119.800 0.127 0.000 2.205 2411 Q HA 0.322 4.662 4.340 0.000 0.000 0.249 2411 Q C -0.386 175.193 176.000 -0.702 0.000 0.948 2411 Q CA -0.677 54.998 55.803 -0.213 0.000 0.895 2411 Q CB 1.015 29.637 28.738 -0.193 0.000 1.249 2411 Q HN 0.313 nan 8.270 nan 0.000 0.458 2412 N N 0.237 118.399 118.700 -0.897 0.000 2.466 2412 N HA 0.214 4.954 4.740 0.000 0.000 0.294 2412 N C -0.756 174.312 175.510 -0.736 0.000 1.129 2412 N CA -0.320 52.237 53.050 -0.822 0.000 0.931 2412 N CB 0.934 39.071 38.487 -0.584 0.000 1.193 2412 N HN 0.562 nan 8.380 nan 0.000 0.500 2413 H N -0.948 118.166 119.070 0.074 0.000 2.575 2413 H HA 0.177 4.733 4.556 0.000 0.000 0.256 2413 H C -0.451 175.010 175.328 0.221 0.000 1.162 2413 H CA -0.678 55.469 56.048 0.165 0.000 0.969 2413 H CB -0.114 29.814 29.762 0.277 0.000 1.796 2413 H HN 0.590 nan 8.280 nan 0.000 0.607 2414 N N 0.864 119.698 118.700 0.223 0.000 3.271 2414 N HA -0.014 4.726 4.740 0.000 0.000 0.303 2414 N C -0.463 175.183 175.510 0.228 0.000 1.415 2414 N CA -0.175 53.016 53.050 0.236 0.000 1.159 2414 N CB 0.235 38.860 38.487 0.230 0.000 1.432 2414 N HN 0.392 nan 8.380 nan 0.000 0.521 2415 D N -1.819 118.676 120.400 0.159 0.000 2.368 2415 D HA 0.209 4.849 4.640 0.000 0.000 0.218 2415 D C 1.256 177.650 176.300 0.156 0.000 1.112 2415 D CA -0.111 54.001 54.000 0.187 0.000 0.834 2415 D CB 0.008 40.868 40.800 0.101 0.000 0.953 2415 D HN 0.336 nan 8.370 nan 0.000 0.505 2416 G N 0.040 108.745 108.800 -0.159 0.000 2.205 2416 G HA2 -0.341 3.620 3.960 0.000 0.000 0.261 2416 G HA3 -0.341 3.620 3.960 0.000 0.000 0.261 2416 G C 0.247 174.921 174.900 -0.377 0.000 0.980 2416 G CA 0.369 45.114 45.100 -0.592 0.000 0.632 2416 G HN 0.476 nan 8.290 nan 0.000 0.533 2417 K N -0.773 119.507 120.400 -0.200 0.000 2.087 2417 K HA 0.461 4.781 4.320 0.000 0.000 0.255 2417 K C -0.143 176.343 176.600 -0.190 0.000 0.988 2417 K CA -0.926 55.267 56.287 -0.158 0.000 0.915 2417 K CB 0.970 33.454 32.500 -0.027 0.000 1.043 2417 K HN 0.203 nan 8.250 nan 0.000 0.457 2418 W N 2.130 123.364 121.300 -0.110 0.000 2.210 2418 W HA 0.063 4.723 4.660 0.000 0.000 0.330 2418 W C 0.323 176.703 176.519 -0.231 0.000 1.334 2418 W CA -0.173 57.081 57.345 -0.152 0.000 1.227 2418 W CB 0.621 30.029 29.460 -0.086 0.000 1.178 2418 W HN 0.084 nan 8.180 nan 0.000 0.560 2419 K N 2.541 122.894 120.400 -0.078 0.000 2.375 2419 K HA 0.693 5.013 4.320 0.000 0.000 0.249 2419 K C -0.923 175.575 176.600 -0.169 0.000 0.942 2419 K CA -1.075 55.036 56.287 -0.293 0.000 0.806 2419 K CB 1.898 33.911 32.500 -0.812 0.000 1.227 2419 K HN 0.414 nan 8.250 nan 0.000 0.430 2420 A N 2.535 125.301 122.820 -0.091 0.000 2.258 2420 A HA 0.551 4.871 4.320 0.000 0.000 0.316 2420 A C -1.102 176.473 177.584 -0.016 0.000 1.279 2420 A CA -0.590 51.425 52.037 -0.036 0.000 0.876 2420 A CB -0.006 18.957 19.000 -0.061 0.000 1.170 2420 A HN 0.605 nan 8.150 nan 0.000 0.520 2421 F N 2.709 122.563 119.950 -0.161 0.000 2.421 2421 F HA 0.691 5.218 4.527 0.000 0.000 0.337 2421 F C -0.073 175.562 175.800 -0.276 0.000 1.105 2421 F CA 0.170 58.020 58.000 -0.251 0.000 1.049 2421 F CB 1.875 40.572 39.000 -0.504 0.000 1.139 2421 F HN 0.421 nan 8.300 nan 0.000 0.479 2422 T N 7.503 121.336 114.554 -1.202 0.000 3.109 2422 T HA 0.390 4.740 4.350 0.000 0.000 0.311 2422 T C -1.385 172.786 174.700 -0.881 0.000 1.011 2422 T CA -0.497 61.116 62.100 -0.811 0.000 1.026 2422 T CB 1.249 69.881 68.868 -0.394 0.000 1.047 2422 T HN 0.722 nan 8.240 nan 0.000 0.448 2423 L N 2.409 123.273 121.223 -0.597 0.000 2.334 2423 L HA 0.883 5.224 4.340 0.000 0.000 0.276 2423 L C -0.564 176.191 176.870 -0.193 0.000 1.014 2423 L CA -0.359 54.286 54.840 -0.324 0.000 0.815 2423 L CB 1.769 43.785 42.059 -0.072 0.000 1.268 2423 L HN 0.665 nan 8.230 nan 0.000 0.428 2424 S N 5.026 120.625 115.700 -0.168 0.000 2.775 2424 S HA 0.469 4.939 4.470 0.000 0.000 0.277 2424 S C -1.057 173.449 174.600 -0.156 0.000 1.156 2424 S CA -0.739 57.372 58.200 -0.149 0.000 1.081 2424 S CB 0.731 63.850 63.200 -0.134 0.000 1.054 2424 S HN 0.781 nan 8.310 nan 0.000 0.482 2425 R N 4.630 125.015 120.500 -0.191 0.000 2.514 2425 R HA 0.692 5.032 4.340 0.000 0.000 0.301 2425 R C -1.264 174.923 176.300 -0.188 0.000 0.962 2425 R CA -0.652 55.310 56.100 -0.229 0.000 0.882 2425 R CB 0.904 30.981 30.300 -0.372 0.000 1.143 2425 R HN 0.685 nan 8.270 nan 0.000 0.452 2426 I N 5.742 126.212 120.570 -0.167 0.000 2.493 2426 I HA 0.131 4.301 4.170 0.000 0.000 0.279 2426 I C 0.085 176.081 176.117 -0.201 0.000 1.045 2426 I CA -0.389 60.819 61.300 -0.153 0.000 1.106 2426 I CB 1.508 39.429 38.000 -0.131 0.000 1.216 2426 I HN 0.922 nan 8.210 nan 0.000 0.459 2427 Q N 3.741 123.417 119.800 -0.207 0.000 1.555 2427 Q HA -0.309 4.032 4.340 0.000 0.000 0.344 2427 Q C 0.718 176.611 176.000 -0.178 0.000 0.887 2427 Q CA 1.536 57.156 55.803 -0.305 0.000 0.829 2427 Q CB -0.805 27.447 28.738 -0.811 0.000 3.625 2427 Q HN 0.599 nan 8.270 nan 0.000 0.622 2428 K N 0.840 121.114 120.400 -0.209 0.000 2.296 2428 K HA 0.006 4.327 4.320 0.000 0.000 0.200 2428 K C 0.370 177.017 176.600 0.077 0.000 1.048 2428 K CA 0.592 56.898 56.287 0.032 0.000 0.966 2428 K CB 0.082 32.616 32.500 0.058 0.000 0.754 2428 K HN 0.178 nan 8.250 nan 0.000 0.466 2429 Q N -0.027 119.753 119.800 -0.034 0.000 2.259 2429 Q HA 0.432 4.772 4.340 0.000 0.000 0.249 2429 Q C -1.089 174.897 176.000 -0.024 0.000 0.914 2429 Q CA -0.151 55.651 55.803 -0.002 0.000 0.904 2429 Q CB 1.878 30.588 28.738 -0.048 0.000 1.213 2429 Q HN 0.198 nan 8.270 nan 0.000 0.428 2430 A N 3.052 125.890 122.820 0.030 0.000 2.427 2430 A HA 0.628 4.948 4.320 0.000 0.000 0.298 2430 A C -1.323 176.261 177.584 0.000 0.000 1.036 2430 A CA -0.930 51.094 52.037 -0.023 0.000 0.701 2430 A CB 1.074 20.061 19.000 -0.022 0.000 1.250 2430 A HN 0.663 nan 8.150 nan 0.000 0.412 2431 N N 1.617 120.286 118.700 -0.051 0.000 2.444 2431 N HA 0.518 5.258 4.740 0.000 0.000 0.262 2431 N C -1.068 174.388 175.510 -0.089 0.000 0.974 2431 N CA -0.147 52.871 53.050 -0.052 0.000 0.933 2431 N CB 1.345 39.789 38.487 -0.072 0.000 1.137 2431 N HN 0.510 nan 8.380 nan 0.000 0.498 2432 I N 0.563 121.101 120.570 -0.054 0.000 2.385 2432 I HA 0.290 4.461 4.170 0.000 0.000 0.294 2432 I C 0.622 176.653 176.117 -0.143 0.000 0.988 2432 I CA -0.284 60.949 61.300 -0.113 0.000 1.265 2432 I CB 1.515 39.554 38.000 0.065 0.000 1.388 2432 I HN 0.293 nan 8.210 nan 0.000 0.480 2433 S N 6.179 121.700 115.700 -0.297 0.000 2.614 2433 S HA 0.800 5.270 4.470 0.000 0.000 0.288 2433 S C -1.099 173.371 174.600 -0.217 0.000 1.137 2433 S CA -0.461 57.613 58.200 -0.209 0.000 0.992 2433 S CB 0.442 63.519 63.200 -0.206 0.000 1.026 2433 S HN 0.291 nan 8.310 nan 0.000 0.486 2434 I N 4.325 124.835 120.570 -0.101 0.000 2.436 2434 I HA 0.552 4.722 4.170 0.000 0.000 0.289 2434 I C -0.723 175.331 176.117 -0.106 0.000 1.010 2434 I CA -0.707 60.528 61.300 -0.108 0.000 1.098 2434 I CB 1.871 39.697 38.000 -0.290 0.000 1.266 2434 I HN 0.357 nan 8.210 nan 0.000 0.434 2435 V N 3.998 123.855 119.914 -0.094 0.000 2.531 2435 V HA 0.304 4.424 4.120 0.000 0.000 0.301 2435 V C -0.612 175.457 176.094 -0.041 0.000 1.034 2435 V CA -0.724 61.544 62.300 -0.054 0.000 0.865 2435 V CB 1.956 33.747 31.823 -0.052 0.000 0.995 2435 V HN 0.762 nan 8.190 nan 0.000 0.424 2436 D N 3.696 124.099 120.400 0.005 0.000 2.342 2436 D HA 0.218 4.858 4.640 0.000 0.000 0.260 2436 D C 1.185 177.495 176.300 0.016 0.000 1.278 2436 D CA 0.052 54.065 54.000 0.023 0.000 0.910 2436 D CB 0.665 41.498 40.800 0.056 0.000 1.079 2436 D HN 0.482 nan 8.370 nan 0.000 0.496 2437 I N 2.799 123.381 120.570 0.020 0.000 2.315 2437 I HA -0.269 3.901 4.170 0.000 0.000 0.251 2437 I C 1.329 177.460 176.117 0.023 0.000 1.125 2437 I CA 0.932 62.242 61.300 0.016 0.000 1.392 2437 I CB -0.118 37.895 38.000 0.021 0.000 1.065 2437 I HN 0.518 nan 8.210 nan 0.000 0.424 2438 D N 0.468 120.893 120.400 0.042 0.000 2.107 2438 D HA -0.115 4.525 4.640 0.000 0.000 0.204 2438 D C 2.333 178.647 176.300 0.023 0.000 0.978 2438 D CA 1.941 55.963 54.000 0.035 0.000 0.852 2438 D CB -0.330 40.498 40.800 0.046 0.000 1.008 2438 D HN 0.316 nan 8.370 nan 0.000 0.458 2439 S N 0.053 115.768 115.700 0.025 0.000 2.481 2439 S HA -0.119 4.351 4.470 0.000 0.000 0.231 2439 S C 1.053 175.661 174.600 0.014 0.000 0.996 2439 S CA 0.592 58.804 58.200 0.021 0.000 0.942 2439 S CB -0.037 63.179 63.200 0.026 0.000 0.768 2439 S HN 0.151 nan 8.310 nan 0.000 0.520 2440 N N 0.674 119.381 118.700 0.012 0.000 2.878 2440 N HA -0.158 4.583 4.740 0.000 0.000 0.247 2440 N C -0.860 174.654 175.510 0.006 0.000 1.021 2440 N CA 0.905 53.956 53.050 0.003 0.000 0.873 2440 N CB -1.388 37.097 38.487 -0.003 0.000 1.128 2440 N HN 0.737 nan 8.380 nan 0.000 0.571 2441 Q N 0.732 120.543 119.800 0.018 0.000 2.373 2441 Q HA 0.260 4.600 4.340 0.000 0.000 0.255 2441 Q C 0.215 176.231 176.000 0.026 0.000 0.980 2441 Q CA 0.513 56.332 55.803 0.026 0.000 0.882 2441 Q CB 1.165 29.927 28.738 0.041 0.000 1.249 2441 Q HN 0.230 nan 8.270 nan 0.000 0.438 2442 E N 1.385 121.600 120.200 0.024 0.000 2.317 2442 E HA 0.261 4.611 4.350 0.000 0.000 0.270 2442 E C -1.504 175.119 176.600 0.038 0.000 0.885 2442 E CA -0.422 55.987 56.400 0.016 0.000 0.760 2442 E CB 1.810 31.505 29.700 -0.009 0.000 1.227 2442 E HN 0.547 nan 8.360 nan 0.000 0.434 2443 E N 2.432 122.659 120.200 0.046 0.000 2.235 2443 E HA 0.392 4.742 4.350 0.000 0.000 0.265 2443 E C -1.230 175.393 176.600 0.039 0.000 0.940 2443 E CA -0.803 55.644 56.400 0.078 0.000 0.819 2443 E CB 1.242 31.041 29.700 0.164 0.000 1.206 2443 E HN 0.391 nan 8.360 nan 0.000 0.409 2444 N N 1.471 120.199 118.700 0.047 0.000 2.425 2444 N HA 0.338 5.078 4.740 0.000 0.000 0.289 2444 N C -1.776 173.760 175.510 0.044 0.000 1.074 2444 N CA -0.328 52.737 53.050 0.024 0.000 0.905 2444 N CB 2.154 40.643 38.487 0.004 0.000 1.586 2444 N HN 0.136 nan 8.380 nan 0.000 0.490 2445 V N 0.873 120.815 119.914 0.046 0.000 2.760 2445 V HA 0.865 4.985 4.120 0.000 0.000 0.309 2445 V C -0.681 175.442 176.094 0.049 0.000 1.077 2445 V CA -0.636 61.701 62.300 0.062 0.000 0.910 2445 V CB 1.929 33.811 31.823 0.097 0.000 1.008 2445 V HN 0.812 nan 8.190 nan 0.000 0.424 2446 A N 2.788 125.636 122.820 0.046 0.000 2.423 2446 A HA 0.992 5.312 4.320 0.000 0.000 0.304 2446 A C -0.472 177.147 177.584 0.058 0.000 1.104 2446 A CA -0.470 51.594 52.037 0.044 0.000 0.757 2446 A CB 2.372 21.387 19.000 0.023 0.000 1.313 2446 A HN 0.846 nan 8.150 nan 0.000 0.423 2447 T N -0.570 114.032 114.554 0.079 0.000 2.739 2447 T HA 0.719 5.069 4.350 0.000 0.000 0.303 2447 T C -1.428 173.334 174.700 0.102 0.000 1.389 2447 T CA -0.105 62.039 62.100 0.074 0.000 1.001 2447 T CB 1.344 70.253 68.868 0.069 0.000 1.436 2447 T HN 1.166 nan 8.240 nan 0.000 0.500 2448 S N 1.321 117.056 115.700 0.058 0.000 2.546 2448 S HA 0.578 5.048 4.470 0.000 0.000 0.272 2448 S C -0.536 174.064 174.600 0.000 0.000 1.140 2448 S CA -0.914 57.337 58.200 0.083 0.000 0.920 2448 S CB 1.620 64.850 63.200 0.051 0.000 1.083 2448 S HN 1.023 nan 8.310 nan 0.000 0.476 2449 S N 1.931 117.662 115.700 0.050 0.000 2.585 2449 S HA 0.581 5.051 4.470 0.000 0.000 0.273 2449 S C 0.194 174.815 174.600 0.035 0.000 1.339 2449 S CA -0.573 57.603 58.200 -0.039 0.000 1.028 2449 S CB 0.508 63.786 63.200 0.131 0.000 0.906 2449 S HN 0.571 nan 8.310 nan 0.000 0.528 2450 S N 1.296 117.005 115.700 0.015 0.000 2.616 2450 S HA 0.829 5.299 4.470 0.000 0.000 0.277 2450 S C 0.838 175.478 174.600 0.068 0.000 1.234 2450 S CA 0.072 58.296 58.200 0.039 0.000 1.028 2450 S CB 0.663 63.874 63.200 0.018 0.000 0.988 2450 S HN 1.671 nan 8.310 nan 0.000 0.522 2451 G N 1.972 110.815 108.800 0.071 0.000 2.512 2451 G HA2 -0.203 3.757 3.960 0.000 0.000 0.210 2451 G HA3 -0.203 3.757 3.960 0.000 0.000 0.210 2451 G C -0.072 174.887 174.900 0.098 0.000 1.295 2451 G CA -0.039 45.102 45.100 0.069 0.000 0.934 2451 G HN 0.677 nan 8.290 nan 0.000 0.554 2452 N N 0.299 119.027 118.700 0.046 0.000 2.227 2452 N HA 0.084 4.824 4.740 0.000 0.000 0.196 2452 N C 0.422 175.832 175.510 -0.166 0.000 1.142 2452 N CA -0.172 52.854 53.050 -0.041 0.000 0.887 2452 N CB 0.282 38.699 38.487 -0.115 0.000 1.022 2452 N HN 0.481 nan 8.380 nan 0.000 0.500 2453 N N 0.565 119.263 118.700 -0.003 0.000 2.483 2453 N HA 0.058 4.798 4.740 0.000 0.000 0.264 2453 N C -0.198 175.498 175.510 0.310 0.000 1.197 2453 N CA 0.149 53.215 53.050 0.026 0.000 0.927 2453 N CB 0.730 39.258 38.487 0.069 0.000 1.065 2453 N HN 0.119 nan 8.380 nan 0.000 0.461 2454 F N -0.064 119.899 119.950 0.021 0.000 2.720 2454 F HA 0.225 4.753 4.527 0.000 0.000 0.301 2454 F C 1.551 177.348 175.800 -0.005 0.000 1.103 2454 F CA -0.673 57.334 58.000 0.012 0.000 1.291 2454 F CB 0.888 39.888 39.000 0.000 0.000 1.086 2454 F HN 0.462 nan 8.300 nan 0.000 0.592 2455 G N 0.815 109.726 108.800 0.185 0.000 2.432 2455 G HA2 0.501 4.461 3.960 0.000 0.000 0.331 2455 G HA3 0.501 4.461 3.960 0.000 0.000 0.331 2455 G C -1.657 173.312 174.900 0.116 0.000 1.170 2455 G CA -0.409 44.751 45.100 0.100 0.000 0.943 2455 G HN -0.024 nan 8.290 nan 0.000 0.483 2456 L N 1.660 122.963 121.223 0.134 0.000 2.407 2456 L HA 0.336 4.677 4.340 0.000 0.000 0.261 2456 L C 0.073 177.139 176.870 0.327 0.000 1.108 2456 L CA -0.781 54.187 54.840 0.213 0.000 0.995 2456 L CB 0.359 42.566 42.059 0.247 0.000 1.349 2456 L HN 0.426 nan 8.230 nan 0.000 0.423 2457 D N 3.712 124.231 120.400 0.197 0.000 2.826 2457 D HA -0.039 4.601 4.640 0.000 0.000 0.229 2457 D C 0.338 176.680 176.300 0.070 0.000 1.091 2457 D CA 0.040 54.136 54.000 0.161 0.000 1.061 2457 D CB 0.083 40.934 40.800 0.086 0.000 1.155 2457 D HN 0.255 nan 8.370 nan 0.000 0.450 2458 L N 1.578 122.810 121.223 0.015 0.000 2.499 2458 L HA -0.028 4.312 4.340 0.000 0.000 0.273 2458 L C 0.596 177.288 176.870 -0.297 0.000 1.195 2458 L CA 0.409 55.074 54.840 -0.291 0.000 0.882 2458 L CB 0.400 41.976 42.059 -0.805 0.000 1.133 2458 L HN -0.143 nan 8.230 nan 0.000 0.483 2459 K N 3.493 123.768 120.400 -0.208 0.000 2.109 2459 K HA 0.404 4.724 4.320 0.000 0.000 0.243 2459 K C 1.005 177.507 176.600 -0.163 0.000 1.006 2459 K CA 0.190 56.392 56.287 -0.142 0.000 0.917 2459 K CB 0.899 33.353 32.500 -0.076 0.000 1.081 2459 K HN 0.691 nan 8.250 nan 0.000 0.468 2460 A N 1.073 123.836 122.820 -0.095 0.000 1.903 2460 A HA -0.215 4.105 4.320 0.000 0.000 0.219 2460 A C 1.245 178.782 177.584 -0.079 0.000 1.191 2460 A CA 2.069 54.063 52.037 -0.072 0.000 0.638 2460 A CB -0.292 18.691 19.000 -0.029 0.000 0.823 2460 A HN 0.711 nan 8.150 nan 0.000 0.451 2461 D N 0.191 120.550 120.400 -0.069 0.000 2.328 2461 D HA 0.040 4.680 4.640 0.000 0.000 0.226 2461 D C -0.571 175.679 176.300 -0.083 0.000 1.066 2461 D CA 0.087 54.051 54.000 -0.061 0.000 0.861 2461 D CB -0.026 40.753 40.800 -0.034 0.000 0.912 2461 D HN 0.390 nan 8.370 nan 0.000 0.521 2462 D N 1.532 121.855 120.400 -0.128 0.000 2.304 2462 D HA 0.115 4.755 4.640 0.000 0.000 0.250 2462 D C 0.584 176.759 176.300 -0.208 0.000 1.107 2462 D CA 0.053 53.964 54.000 -0.149 0.000 0.885 2462 D CB 1.404 42.094 40.800 -0.184 0.000 1.192 2462 D HN -0.232 nan 8.370 nan 0.000 0.436 2463 K N 1.487 121.758 120.400 -0.216 0.000 2.095 2463 K HA 0.538 4.858 4.320 0.000 0.000 0.252 2463 K C 0.057 176.378 176.600 -0.465 0.000 0.977 2463 K CA -0.717 55.337 56.287 -0.388 0.000 0.900 2463 K CB 1.508 33.651 32.500 -0.595 0.000 1.060 2463 K HN 0.364 nan 8.250 nan 0.000 0.449 2464 I N 2.597 122.878 120.570 -0.481 0.000 2.389 2464 I HA 0.254 4.424 4.170 0.000 0.000 0.288 2464 I C -0.822 175.075 176.117 -0.366 0.000 0.999 2464 I CA -0.886 60.206 61.300 -0.347 0.000 1.129 2464 I CB 0.790 38.662 38.000 -0.214 0.000 1.288 2464 I HN 0.360 nan 8.210 nan 0.000 0.444 2465 Y N 5.477 125.675 120.300 -0.169 0.000 2.496 2465 Y HA 0.646 5.197 4.550 0.000 0.000 0.331 2465 Y C -0.523 175.158 175.900 -0.366 0.000 1.140 2465 Y CA -0.852 57.216 58.100 -0.054 0.000 1.166 2465 Y CB 1.270 39.756 38.460 0.043 0.000 1.249 2465 Y HN 0.264 nan 8.280 nan 0.000 0.479 2466 F N -0.570 119.483 119.950 0.172 0.000 2.578 2466 F HA 0.560 5.087 4.527 0.000 0.000 0.311 2466 F C 0.887 176.594 175.800 -0.155 0.000 1.094 2466 F CA -0.518 57.450 58.000 -0.053 0.000 0.923 2466 F CB 2.267 41.234 39.000 -0.055 0.000 1.230 2466 F HN 0.647 nan 8.300 nan 0.000 0.450 2467 G N 1.061 109.628 108.800 -0.389 0.000 2.412 2467 G HA2 0.042 4.002 3.960 0.000 0.000 0.252 2467 G HA3 0.042 4.002 3.960 0.000 0.000 0.252 2467 G C 0.357 175.155 174.900 -0.170 0.000 1.038 2467 G CA 0.305 44.973 45.100 -0.720 0.000 0.628 2467 G HN 1.651 nan 8.290 nan 0.000 0.531 2468 G N -1.690 107.138 108.800 0.047 0.000 2.427 2468 G HA2 0.642 4.602 3.960 0.000 0.000 0.306 2468 G HA3 0.642 4.602 3.960 0.000 0.000 0.306 2468 G C -1.604 173.359 174.900 0.106 0.000 1.280 2468 G CA -0.288 44.886 45.100 0.122 0.000 0.837 2468 G HN 0.958 nan 8.290 nan 0.000 0.482 2469 L N 0.012 121.227 121.223 -0.014 0.000 2.469 2469 L HA 0.534 4.874 4.340 0.000 0.000 0.256 2469 L C -2.524 174.047 176.870 -0.497 0.000 1.006 2469 L CA -1.803 52.811 54.840 -0.376 0.000 0.832 2469 L CB 2.814 44.578 42.059 -0.492 0.000 1.421 2469 L HN 0.367 nan 8.230 nan 0.000 0.410 2470 P HA 0.299 nan 4.420 nan 0.000 0.317 2470 P C -1.019 176.101 177.300 -0.299 0.000 1.307 2470 P CA -0.453 62.272 63.100 -0.625 0.000 0.749 2470 P CB 0.519 31.848 31.700 -0.617 0.000 1.377 2471 T N 0.756 115.213 114.554 -0.161 0.000 2.780 2471 T HA 0.467 4.817 4.350 0.000 0.000 0.294 2471 T C -0.144 174.485 174.700 -0.118 0.000 0.949 2471 T CA -0.219 61.812 62.100 -0.116 0.000 1.074 2471 T CB -0.329 68.506 68.868 -0.056 0.000 0.910 2471 T HN 0.108 nan 8.240 nan 0.000 0.501 2472 L N 2.189 123.335 121.223 -0.127 0.000 2.365 2472 L HA 0.585 4.925 4.340 0.000 0.000 0.273 2472 L C 1.898 178.728 176.870 -0.066 0.000 1.000 2472 L CA -1.328 53.455 54.840 -0.095 0.000 0.819 2472 L CB 1.268 43.254 42.059 -0.121 0.000 1.284 2472 L HN 0.785 nan 8.230 nan 0.000 0.418 2473 R N 2.414 122.891 120.500 -0.039 0.000 2.096 2473 R HA -0.088 4.252 4.340 0.000 0.000 0.240 2473 R C 0.642 176.920 176.300 -0.036 0.000 1.139 2473 R CA 1.621 57.703 56.100 -0.030 0.000 0.952 2473 R CB -1.082 29.208 30.300 -0.016 0.000 0.854 2473 R HN 0.782 nan 8.270 nan 0.000 0.436 2474 N N -1.486 117.195 118.700 -0.032 0.000 2.380 2474 N HA 0.710 5.450 4.740 0.000 0.000 0.290 2474 N C -1.107 174.377 175.510 -0.044 0.000 1.236 2474 N CA -0.510 52.520 53.050 -0.033 0.000 0.780 2474 N CB 1.953 40.432 38.487 -0.012 0.000 1.438 2474 N HN 0.322 nan 8.380 nan 0.000 0.491 2481 P HA -0.086 nan 4.420 nan 0.000 0.222 2481 P C -0.241 176.964 177.300 -0.157 0.000 1.147 2481 P CA 1.132 64.135 63.100 -0.161 0.000 0.790 2481 P CB 0.492 32.129 31.700 -0.106 0.000 0.780 2482 E N -0.135 119.948 120.200 -0.195 0.000 2.479 2482 E HA 0.041 4.391 4.350 0.000 0.000 0.193 2482 E C 0.756 177.288 176.600 -0.113 0.000 1.049 2482 E CA -0.032 56.295 56.400 -0.121 0.000 0.870 2482 E CB -0.257 29.410 29.700 -0.055 0.000 0.944 2482 E HN 0.226 nan 8.360 nan 0.000 0.492 2483 V N -0.008 119.786 119.914 -0.200 0.000 2.481 2483 V HA 0.398 4.518 4.120 0.000 0.000 0.286 2483 V C -0.159 175.837 176.094 -0.163 0.000 1.042 2483 V CA -1.296 60.908 62.300 -0.160 0.000 0.928 2483 V CB 1.555 33.228 31.823 -0.249 0.000 0.986 2483 V HN -0.053 nan 8.190 nan 0.000 0.462 2484 N N 3.621 122.259 118.700 -0.103 0.000 2.415 2484 N HA 0.258 4.999 4.740 0.000 0.000 0.246 2484 N C 0.285 175.722 175.510 -0.122 0.000 1.078 2484 N CA -0.226 52.768 53.050 -0.092 0.000 0.942 2484 N CB 1.372 39.833 38.487 -0.043 0.000 1.140 2484 N HN 0.566 nan 8.380 nan 0.000 0.501 2485 V N 3.019 122.840 119.914 -0.155 0.000 3.623 2485 V HA 0.046 4.166 4.120 0.000 0.000 0.271 2485 V C 1.178 177.218 176.094 -0.089 0.000 1.248 2485 V CA 0.019 62.215 62.300 -0.174 0.000 1.156 2485 V CB -1.212 30.466 31.823 -0.242 0.000 0.870 2485 V HN 0.666 nan 8.190 nan 0.000 0.453 2486 K N 2.421 122.792 120.400 -0.047 0.000 2.477 2486 K HA -0.100 4.220 4.320 0.000 0.000 0.275 2486 K C 0.290 176.917 176.600 0.044 0.000 1.054 2486 K CA 0.118 56.409 56.287 0.006 0.000 1.135 2486 K CB 0.263 32.780 32.500 0.028 0.000 0.854 2486 K HN 0.121 nan 8.250 nan 0.000 0.484 2487 K N 3.146 123.593 120.400 0.079 0.000 2.559 2487 K HA -0.175 4.146 4.320 0.000 0.000 0.279 2487 K C -0.192 176.503 176.600 0.158 0.000 0.967 2487 K CA 0.425 56.790 56.287 0.131 0.000 1.000 2487 K CB 0.012 32.620 32.500 0.181 0.000 0.890 2487 K HN 0.462 nan 8.250 nan 0.000 0.501 2488 Y N 0.167 120.448 120.300 -0.030 0.000 2.334 2488 Y HA 0.201 4.751 4.550 0.000 0.000 0.328 2488 Y C -0.445 175.458 175.900 0.005 0.000 1.130 2488 Y CA -0.304 57.750 58.100 -0.076 0.000 1.163 2488 Y CB 1.315 39.621 38.460 -0.256 0.000 1.207 2488 Y HN 0.430 nan 8.280 nan 0.000 0.471 2489 S N 3.994 119.338 115.700 -0.593 0.000 2.530 2489 S HA 0.836 5.306 4.470 0.000 0.000 0.322 2489 S C -0.359 173.625 174.600 -1.026 0.000 1.085 2489 S CA -0.047 57.816 58.200 -0.561 0.000 1.096 2489 S CB 0.863 63.867 63.200 -0.327 0.000 0.988 2489 S HN 1.242 nan 8.310 nan 0.000 0.466 2490 G N 1.214 109.514 108.800 -0.833 0.000 2.356 2490 G HA2 0.273 4.233 3.960 0.000 0.000 0.300 2490 G HA3 0.273 4.233 3.960 0.000 0.000 0.300 2490 G C -0.962 173.916 174.900 -0.036 0.000 1.331 2490 G CA -0.741 44.008 45.100 -0.583 0.000 0.905 2490 G HN 0.781 nan 8.290 nan 0.000 0.587 2491 c N -0.810 117.860 118.600 0.117 0.000 2.325 2491 c HA 0.966 5.536 4.570 0.000 0.000 0.370 2491 c C -0.015 174.422 174.090 0.578 0.000 1.217 2491 c CA -0.435 56.062 56.329 0.280 0.000 2.254 2491 c CB 1.027 43.543 42.510 0.010 0.000 2.282 2491 c HN 0.855 nan 8.230 nan 0.000 0.564 2492 L N 1.285 122.879 121.223 0.618 0.000 2.540 2492 L HA 0.753 5.093 4.340 0.000 0.000 0.256 2492 L C -0.837 176.292 176.870 0.430 0.000 1.001 2492 L CA -0.184 55.004 54.840 0.578 0.000 0.843 2492 L CB 1.809 44.149 42.059 0.468 0.000 1.436 2492 L HN 0.997 nan 8.230 nan 0.000 0.410 2493 K N -0.151 120.425 120.400 0.294 0.000 2.870 2493 K HA 0.420 4.741 4.320 0.000 0.000 0.290 2493 K C -1.523 175.121 176.600 0.073 0.000 1.070 2493 K CA -0.678 55.664 56.287 0.092 0.000 0.843 2493 K CB 0.885 33.348 32.500 -0.062 0.000 1.475 2493 K HN 0.313 nan 8.250 nan 0.000 0.359 2494 D N 0.515 120.925 120.400 0.017 0.000 2.723 2494 D HA -0.156 4.484 4.640 0.000 0.000 0.236 2494 D C -0.501 175.877 176.300 0.130 0.000 1.138 2494 D CA 1.157 55.177 54.000 0.034 0.000 0.676 2494 D CB -1.226 39.563 40.800 -0.017 0.000 1.069 2494 D HN 0.523 nan 8.370 nan 0.000 0.430 2495 I N 0.631 121.273 120.570 0.120 0.000 2.471 2495 I HA 0.098 4.268 4.170 0.000 0.000 0.286 2495 I C 0.853 177.098 176.117 0.213 0.000 1.079 2495 I CA 0.551 61.949 61.300 0.163 0.000 1.398 2495 I CB 0.724 38.639 38.000 -0.142 0.000 1.403 2495 I HN -0.026 nan 8.210 nan 0.000 0.530 2496 E N 7.570 127.943 120.200 0.289 0.000 2.278 2496 E HA 0.583 4.933 4.350 0.000 0.000 0.272 2496 E C -1.466 175.333 176.600 0.332 0.000 0.890 2496 E CA -0.581 55.982 56.400 0.272 0.000 0.770 2496 E CB 1.892 31.684 29.700 0.153 0.000 1.212 2496 E HN 0.477 nan 8.360 nan 0.000 0.415 2497 I N 2.841 123.653 120.570 0.403 0.000 2.499 2497 I HA 0.198 4.368 4.170 0.000 0.000 0.288 2497 I C -0.200 176.110 176.117 0.322 0.000 1.048 2497 I CA -0.739 60.792 61.300 0.384 0.000 1.062 2497 I CB 2.088 40.365 38.000 0.463 0.000 1.238 2497 I HN 0.597 nan 8.210 nan 0.000 0.426 2498 S N 4.607 120.417 115.700 0.183 0.000 3.706 2498 S HA -0.210 4.260 4.470 0.000 0.000 0.363 2498 S C 0.936 175.593 174.600 0.095 0.000 0.999 2498 S CA 1.002 59.264 58.200 0.103 0.000 1.143 2498 S CB -1.036 62.277 63.200 0.189 0.000 0.902 2498 S HN 0.878 nan 8.310 nan 0.000 0.476 2499 R N -2.417 118.125 120.500 0.070 0.000 3.977 2499 R HA -0.170 4.170 4.340 0.000 0.000 0.428 2499 R C -0.460 175.864 176.300 0.040 0.000 1.079 2499 R CA 1.641 57.764 56.100 0.038 0.000 1.269 2499 R CB -2.292 28.012 30.300 0.007 0.000 1.856 2499 R HN 0.540 nan 8.270 nan 0.000 0.551 2500 T N 1.980 116.583 114.554 0.082 0.000 2.756 2500 T HA 0.394 4.745 4.350 0.000 0.000 0.290 2500 T C -2.476 172.169 174.700 -0.091 0.000 0.985 2500 T CA -1.422 60.666 62.100 -0.020 0.000 0.955 2500 T CB 1.920 70.779 68.868 -0.015 0.000 0.930 2500 T HN -0.121 nan 8.240 nan 0.000 0.451 2501 P HA 0.368 nan 4.420 nan 0.000 0.275 2501 P C -1.225 175.863 177.300 -0.353 0.000 1.227 2501 P CA -0.389 62.635 63.100 -0.128 0.000 0.781 2501 P CB 0.382 32.029 31.700 -0.089 0.000 0.906 2502 Y N 0.638 120.937 120.300 -0.002 0.000 2.477 2502 Y HA 0.456 5.007 4.550 0.000 0.000 0.347 2502 Y C 0.396 176.257 175.900 -0.066 0.000 0.981 2502 Y CA -0.583 57.499 58.100 -0.031 0.000 1.033 2502 Y CB 2.098 40.526 38.460 -0.054 0.000 1.245 2502 Y HN 0.234 nan 8.280 nan 0.000 0.455 2503 N N 3.480 122.240 118.700 0.099 0.000 2.524 2503 N HA 0.217 4.958 4.740 0.000 0.000 0.261 2503 N C 0.382 175.896 175.510 0.007 0.000 0.998 2503 N CA -0.203 52.859 53.050 0.020 0.000 0.915 2503 N CB 0.851 39.340 38.487 0.004 0.000 1.187 2503 N HN 0.634 nan 8.380 nan 0.000 0.507 2504 I N 3.119 123.646 120.570 -0.071 0.000 2.248 2504 I HA -0.243 3.927 4.170 0.000 0.000 0.248 2504 I C 1.965 177.955 176.117 -0.210 0.000 1.107 2504 I CA 0.989 62.208 61.300 -0.136 0.000 1.373 2504 I CB -0.521 37.338 38.000 -0.235 0.000 1.055 2504 I HN 0.605 nan 8.210 nan 0.000 0.418 2505 L N -0.076 121.021 121.223 -0.211 0.000 2.353 2505 L HA -0.145 4.195 4.340 0.000 0.000 0.220 2505 L C 2.170 179.090 176.870 0.082 0.000 1.133 2505 L CA 0.715 55.474 54.840 -0.134 0.000 0.798 2505 L CB -0.436 41.565 42.059 -0.097 0.000 0.922 2505 L HN 0.164 nan 8.230 nan 0.000 0.445 2506 S N -1.511 114.234 115.700 0.074 0.000 2.524 2506 S HA 0.006 4.477 4.470 0.000 0.000 0.216 2506 S C 1.032 175.722 174.600 0.149 0.000 0.987 2506 S CA -0.060 58.201 58.200 0.101 0.000 0.909 2506 S CB 0.187 63.429 63.200 0.069 0.000 0.781 2506 S HN 0.295 nan 8.310 nan 0.000 0.521 2507 S N 2.423 118.246 115.700 0.206 0.000 2.579 2507 S HA 0.169 4.639 4.470 0.000 0.000 0.275 2507 S C -1.424 173.326 174.600 0.250 0.000 1.345 2507 S CA -0.995 57.355 58.200 0.250 0.000 1.031 2507 S CB 0.828 64.219 63.200 0.318 0.000 0.892 2507 S HN 0.198 nan 8.310 nan 0.000 0.529 2508 P HA 0.246 nan 4.420 nan 0.000 0.268 2508 P C -0.468 176.812 177.300 -0.034 0.000 1.248 2508 P CA 0.206 63.329 63.100 0.039 0.000 0.851 2508 P CB 0.154 31.880 31.700 0.044 0.000 1.238 2509 D N -0.846 119.576 120.400 0.035 0.000 2.650 2509 D HA 0.046 4.687 4.640 0.000 0.000 0.265 2509 D C 0.306 176.663 176.300 0.096 0.000 1.339 2509 D CA -0.983 53.038 54.000 0.035 0.000 0.816 2509 D CB -1.221 39.648 40.800 0.115 0.000 1.091 2509 D HN 0.191 nan 8.370 nan 0.000 0.483 2510 Y N -0.717 119.624 120.300 0.068 0.000 2.326 2510 Y HA 0.694 5.245 4.550 0.000 0.000 0.324 2510 Y C -0.462 175.342 175.900 -0.160 0.000 1.291 2510 Y CA -1.412 56.692 58.100 0.006 0.000 1.348 2510 Y CB 0.814 39.284 38.460 0.016 0.000 1.294 2510 Y HN -0.186 nan 8.280 nan 0.000 0.525 2511 V N 0.762 120.570 119.914 -0.177 0.000 2.925 2511 V HA 0.607 4.727 4.120 0.000 0.000 0.311 2511 V C 0.343 176.383 176.094 -0.091 0.000 1.104 2511 V CA -0.836 61.309 62.300 -0.257 0.000 0.954 2511 V CB 1.411 32.910 31.823 -0.538 0.000 1.022 2511 V HN 1.308 nan 8.190 nan 0.000 0.427 2512 G N 2.840 111.627 108.800 -0.022 0.000 2.372 2512 G HA2 -0.115 3.845 3.960 0.000 0.000 0.297 2512 G HA3 -0.115 3.845 3.960 0.000 0.000 0.297 2512 G C -0.442 174.449 174.900 -0.014 0.000 1.005 2512 G CA 0.622 45.730 45.100 0.014 0.000 1.173 2512 G HN 0.861 nan 8.290 nan 0.000 0.511 2513 V N 0.097 119.987 119.914 -0.040 0.000 2.841 2513 V HA 0.819 4.939 4.120 0.000 0.000 0.310 2513 V C 0.206 176.200 176.094 -0.168 0.000 1.090 2513 V CA -0.454 61.674 62.300 -0.288 0.000 0.930 2513 V CB 2.544 34.031 31.823 -0.561 0.000 1.014 2513 V HN 0.488 nan 8.190 nan 0.000 0.425 2514 T N 2.492 116.919 114.554 -0.211 0.000 2.876 2514 T HA 0.678 5.028 4.350 0.000 0.000 0.289 2514 T C 0.058 174.679 174.700 -0.131 0.000 1.014 2514 T CA -0.604 61.427 62.100 -0.116 0.000 0.986 2514 T CB 1.636 70.460 68.868 -0.072 0.000 1.021 2514 T HN 0.963 nan 8.240 nan 0.000 0.458 2515 K N 0.843 121.191 120.400 -0.085 0.000 2.355 2515 K HA 0.668 4.988 4.320 0.000 0.000 0.270 2515 K C 0.983 177.563 176.600 -0.032 0.000 1.003 2515 K CA 0.162 56.409 56.287 -0.067 0.000 0.957 2515 K CB -0.590 31.887 32.500 -0.039 0.000 0.939 2515 K HN 1.706 nan 8.250 nan 0.000 0.482 2516 G N -1.414 107.383 108.800 -0.004 0.000 2.627 2516 G HA2 0.053 4.013 3.960 0.000 0.000 0.214 2516 G HA3 0.053 4.013 3.960 0.000 0.000 0.214 2516 G C -0.104 174.832 174.900 0.060 0.000 1.331 2516 G CA -0.091 45.029 45.100 0.034 0.000 0.891 2516 G HN 2.085 nan 8.290 nan 0.000 0.539 2517 c N -0.137 118.503 118.600 0.067 0.000 2.752 2517 c HA 0.788 5.358 4.570 0.000 0.000 0.360 2517 c C -0.268 173.815 174.090 -0.012 0.000 1.081 2517 c CA 0.364 56.717 56.329 0.040 0.000 1.272 2517 c CB 0.887 43.476 42.510 0.131 0.000 1.754 2517 c HN 1.509 nan 8.230 nan 0.000 0.483 2518 S N 5.914 121.577 115.700 -0.062 0.000 2.496 2518 S HA 0.511 4.981 4.470 0.000 0.000 0.221 2518 S C -1.114 173.428 174.600 -0.097 0.000 1.260 2518 S CA -0.315 57.845 58.200 -0.066 0.000 1.181 2518 S CB 0.625 63.796 63.200 -0.048 0.000 1.136 2518 S HN 0.691 nan 8.310 nan 0.000 0.467 2519 L N 2.833 123.978 121.223 -0.130 0.000 2.388 2519 L HA 0.439 4.779 4.340 0.000 0.000 0.267 2519 L C 0.550 177.393 176.870 -0.045 0.000 0.995 2519 L CA -0.304 54.450 54.840 -0.143 0.000 0.864 2519 L CB 1.788 43.619 42.059 -0.380 0.000 1.216 2519 L HN 0.458 nan 8.230 nan 0.000 0.430 2520 E N 1.901 122.136 120.200 0.058 0.000 2.083 2520 E HA 0.110 4.460 4.350 0.000 0.000 0.193 2520 E C 0.092 176.813 176.600 0.200 0.000 0.950 2520 E CA 0.576 57.026 56.400 0.083 0.000 0.849 2520 E CB 0.556 30.269 29.700 0.020 0.000 0.827 2520 E HN 0.690 nan 8.360 nan 0.000 0.465 2521 N N -1.452 117.378 118.700 0.215 0.000 3.039 2521 N HA 0.072 4.812 4.740 0.000 0.000 0.257 2521 N C 0.162 175.646 175.510 -0.042 0.000 1.497 2521 N CA 0.103 53.224 53.050 0.118 0.000 0.861 2521 N CB 1.568 40.122 38.487 0.111 0.000 1.479 2521 N HN -0.020 nan 8.380 nan 0.000 0.547 2522 V N -3.040 116.630 119.914 -0.408 0.000 3.596 2522 V HA 0.322 4.442 4.120 0.000 0.000 0.289 2522 V C 0.092 175.834 176.094 -0.586 0.000 1.336 2522 V CA 0.369 62.341 62.300 -0.547 0.000 1.137 2522 V CB -1.526 29.782 31.823 -0.859 0.000 0.966 2522 V HN 0.586 nan 8.190 nan 0.000 0.428 2523 Y N 0.640 120.865 120.300 -0.125 0.000 2.507 2523 Y HA 0.446 4.996 4.550 0.000 0.000 0.254 2523 Y C 0.892 176.891 175.900 0.165 0.000 1.171 2523 Y CA -0.074 57.916 58.100 -0.183 0.000 1.238 2523 Y CB 0.671 39.071 38.460 -0.100 0.000 1.148 2523 Y HN 0.248 nan 8.280 nan 0.000 0.525 2524 T N 0.371 115.174 114.554 0.415 0.000 2.841 2524 T HA 0.611 4.962 4.350 0.000 0.000 0.283 2524 T C -1.148 173.791 174.700 0.398 0.000 1.000 2524 T CA -0.631 61.762 62.100 0.489 0.000 0.977 2524 T CB 2.360 71.353 68.868 0.209 0.000 0.979 2524 T HN -0.134 nan 8.240 nan 0.000 0.446 2525 V N 2.111 122.159 119.914 0.223 0.000 3.114 2525 V HA 0.933 5.053 4.120 0.000 0.000 0.308 2525 V C -1.468 174.518 176.094 -0.181 0.000 1.168 2525 V CA -0.512 61.660 62.300 -0.213 0.000 1.015 2525 V CB 2.471 33.818 31.823 -0.794 0.000 1.050 2525 V HN 1.167 nan 8.190 nan 0.000 0.433 2526 S N 3.404 118.853 115.700 -0.419 0.000 2.537 2526 S HA 0.766 5.236 4.470 0.000 0.000 0.270 2526 S C -1.514 172.800 174.600 -0.475 0.000 1.142 2526 S CA -0.562 57.499 58.200 -0.232 0.000 0.870 2526 S CB 1.537 64.716 63.200 -0.036 0.000 1.112 2526 S HN 0.564 nan 8.310 nan 0.000 0.466 2527 F N 1.877 121.898 119.950 0.118 0.000 2.427 2527 F HA 0.524 5.051 4.527 0.000 0.000 0.348 2527 F C -1.975 173.855 175.800 0.050 0.000 1.125 2527 F CA -2.135 55.916 58.000 0.085 0.000 0.989 2527 F CB 1.853 40.938 39.000 0.142 0.000 1.165 2527 F HN 0.376 nan 8.300 nan 0.000 0.442 2528 P HA 0.073 nan 4.420 nan 0.000 0.217 2528 P C 0.252 177.612 177.300 0.100 0.000 1.154 2528 P CA 1.113 64.271 63.100 0.096 0.000 0.841 2528 P CB 0.268 32.000 31.700 0.054 0.000 0.790 2529 K N 0.252 120.727 120.400 0.125 0.000 2.352 2529 K HA 0.527 4.848 4.320 0.000 0.000 0.240 2529 K C -2.795 173.884 176.600 0.132 0.000 1.017 2529 K CA -2.427 53.920 56.287 0.100 0.000 0.851 2529 K CB -0.801 31.746 32.500 0.080 0.000 1.261 2529 K HN -0.045 nan 8.250 nan 0.000 0.451 2530 P HA 0.162 nan 4.420 nan 0.000 0.257 2530 P C -0.029 177.343 177.300 0.120 0.000 1.189 2530 P CA 0.680 63.822 63.100 0.071 0.000 0.780 2530 P CB 0.186 31.908 31.700 0.037 0.000 0.772 2531 G N 2.746 111.626 108.800 0.133 0.000 2.921 2531 G HA2 0.808 4.769 3.960 0.000 0.000 0.291 2531 G HA3 0.808 4.769 3.960 0.000 0.000 0.291 2531 G C -1.522 173.466 174.900 0.145 0.000 1.370 2531 G CA -0.900 44.342 45.100 0.236 0.000 0.847 2531 G HN 0.511 nan 8.290 nan 0.000 0.532 2532 F N -2.194 117.917 119.950 0.267 0.000 2.741 2532 F HA 0.809 5.336 4.527 0.000 0.000 0.313 2532 F C -1.677 174.416 175.800 0.489 0.000 1.153 2532 F CA -1.457 56.694 58.000 0.251 0.000 0.931 2532 F CB 1.622 40.709 39.000 0.145 0.000 1.335 2532 F HN 0.496 nan 8.300 nan 0.000 0.460 2533 V N 1.323 121.639 119.914 0.669 0.000 2.623 2533 V HA 0.377 4.497 4.120 0.000 0.000 0.304 2533 V C -0.989 175.385 176.094 0.467 0.000 1.054 2533 V CA -0.662 61.891 62.300 0.421 0.000 0.882 2533 V CB 1.557 33.470 31.823 0.149 0.000 1.002 2533 V HN 0.891 nan 8.190 nan 0.000 0.424 2534 E N 3.731 124.147 120.200 0.361 0.000 2.174 2534 E HA 0.588 4.938 4.350 0.000 0.000 0.282 2534 E C -1.555 175.028 176.600 -0.029 0.000 0.992 2534 E CA -0.601 55.765 56.400 -0.056 0.000 0.803 2534 E CB 1.372 31.012 29.700 -0.100 0.000 1.090 2534 E HN 0.407 nan 8.360 nan 0.000 0.396 2535 L N 2.564 123.721 121.223 -0.110 0.000 2.322 2535 L HA 0.500 4.840 4.340 0.000 0.000 0.269 2535 L C -0.307 176.527 176.870 -0.059 0.000 1.012 2535 L CA -0.615 54.226 54.840 0.000 0.000 0.815 2535 L CB 1.519 43.635 42.059 0.095 0.000 1.295 2535 L HN 0.677 nan 8.230 nan 0.000 0.438 2536 A N 1.950 124.764 122.820 -0.009 0.000 2.524 2536 A HA 0.504 4.825 4.320 0.000 0.000 0.250 2536 A C 0.514 178.097 177.584 -0.002 0.000 1.078 2536 A CA 0.166 52.196 52.037 -0.011 0.000 0.761 2536 A CB -0.530 18.475 19.000 0.008 0.000 1.012 2536 A HN 0.938 nan 8.150 nan 0.000 0.500 2537 A N 2.534 125.348 122.820 -0.011 0.000 2.598 2537 A HA 0.399 4.719 4.320 0.000 0.000 0.239 2537 A C 0.115 177.735 177.584 0.060 0.000 1.032 2537 A CA 0.554 52.603 52.037 0.021 0.000 0.760 2537 A CB -0.258 18.753 19.000 0.018 0.000 0.946 2537 A HN 1.439 nan 8.150 nan 0.000 0.512 2538 V N 3.211 123.195 119.914 0.117 0.000 2.668 2538 V HA 0.464 4.585 4.120 0.000 0.000 0.304 2538 V C 0.205 176.406 176.094 0.179 0.000 1.071 2538 V CA -0.090 62.279 62.300 0.116 0.000 0.894 2538 V CB 2.011 33.894 31.823 0.099 0.000 1.008 2538 V HN 1.218 nan 8.190 nan 0.000 0.425 2539 S N 5.256 121.017 115.700 0.102 0.000 2.616 2539 S HA 0.758 5.228 4.470 0.000 0.000 0.277 2539 S C -0.474 174.108 174.600 -0.030 0.000 1.234 2539 S CA -0.682 57.575 58.200 0.096 0.000 1.028 2539 S CB 1.411 64.650 63.200 0.065 0.000 0.988 2539 S HN 0.527 nan 8.310 nan 0.000 0.522 2540 I N 2.868 123.376 120.570 -0.103 0.000 2.304 2540 I HA 0.321 4.491 4.170 0.000 0.000 0.291 2540 I C -0.372 175.680 176.117 -0.108 0.000 1.018 2540 I CA -0.547 60.634 61.300 -0.198 0.000 1.260 2540 I CB 0.720 38.498 38.000 -0.369 0.000 1.390 2540 I HN 0.651 nan 8.210 nan 0.000 0.475 2541 D N 5.447 125.797 120.400 -0.083 0.000 2.494 2541 D HA 0.302 4.942 4.640 0.000 0.000 0.259 2541 D C -0.210 176.059 176.300 -0.053 0.000 1.109 2541 D CA -0.537 53.432 54.000 -0.051 0.000 1.040 2541 D CB 1.643 42.424 40.800 -0.032 0.000 1.175 2541 D HN 0.036 nan 8.370 nan 0.000 0.584 2542 V N 0.520 120.415 119.914 -0.032 0.000 2.450 2542 V HA 0.398 4.518 4.120 0.000 0.000 0.281 2542 V C 1.384 177.465 176.094 -0.022 0.000 1.019 2542 V CA 1.201 63.487 62.300 -0.023 0.000 1.062 2542 V CB 0.018 31.835 31.823 -0.011 0.000 0.979 2542 V HN 0.975 nan 8.190 nan 0.000 0.477 2543 G N 3.533 112.319 108.800 -0.023 0.000 2.184 2543 G HA2 -0.194 3.766 3.960 0.000 0.000 0.206 2543 G HA3 -0.194 3.766 3.960 0.000 0.000 0.206 2543 G C 0.260 175.143 174.900 -0.028 0.000 0.995 2543 G CA -0.058 45.032 45.100 -0.017 0.000 0.651 2543 G HN 0.682 nan 8.290 nan 0.000 0.511 2544 T N 1.053 115.575 114.554 -0.053 0.000 2.899 2544 T HA 0.546 4.896 4.350 0.000 0.000 0.295 2544 T C 0.106 174.754 174.700 -0.086 0.000 1.033 2544 T CA 0.365 62.420 62.100 -0.074 0.000 1.084 2544 T CB 1.820 70.618 68.868 -0.116 0.000 0.979 2544 T HN 0.376 nan 8.240 nan 0.000 0.532 2545 E N 0.774 120.931 120.200 -0.071 0.000 2.336 2545 E HA 0.637 4.988 4.350 0.000 0.000 0.267 2545 E C -0.929 175.628 176.600 -0.071 0.000 0.906 2545 E CA -0.711 55.650 56.400 -0.064 0.000 0.781 2545 E CB 1.991 31.723 29.700 0.054 0.000 1.261 2545 E HN 0.441 nan 8.360 nan 0.000 0.436 2546 I N 2.238 122.766 120.570 -0.071 0.000 2.512 2546 I HA 0.333 4.503 4.170 0.000 0.000 0.287 2546 I C -1.359 174.786 176.117 0.048 0.000 1.069 2546 I CA -0.714 60.561 61.300 -0.041 0.000 1.056 2546 I CB 1.809 39.750 38.000 -0.099 0.000 1.229 2546 I HN 0.416 nan 8.210 nan 0.000 0.429 2547 N N 7.167 125.902 118.700 0.059 0.000 2.295 2547 N HA 0.838 5.578 4.740 0.000 0.000 0.293 2547 N C -1.358 174.161 175.510 0.014 0.000 1.040 2547 N CA -0.621 52.471 53.050 0.070 0.000 0.840 2547 N CB 2.440 40.962 38.487 0.058 0.000 1.468 2547 N HN 0.455 nan 8.380 nan 0.000 0.478 2548 L N -1.935 119.280 121.223 -0.013 0.000 2.801 2548 L HA 0.879 5.219 4.340 0.000 0.000 0.264 2548 L C -1.074 175.689 176.870 -0.180 0.000 1.086 2548 L CA -0.695 54.106 54.840 -0.066 0.000 0.920 2548 L CB 1.601 43.660 42.059 0.000 0.000 1.529 2548 L HN 0.331 nan 8.230 nan 0.000 0.399 2549 S N 0.058 115.516 115.700 -0.403 0.000 2.549 2549 S HA 0.926 5.396 4.470 0.000 0.000 0.280 2549 S C -1.281 172.901 174.600 -0.698 0.000 1.109 2549 S CA -0.400 57.331 58.200 -0.781 0.000 0.905 2549 S CB 1.580 63.812 63.200 -1.614 0.000 1.081 2549 S HN 0.934 nan 8.310 nan 0.000 0.477 2550 F N -0.481 119.157 119.950 -0.519 0.000 2.685 2550 F HA 0.891 5.418 4.527 0.000 0.000 0.315 2550 F C -0.928 175.001 175.800 0.214 0.000 1.126 2550 F CA -0.898 57.065 58.000 -0.063 0.000 0.950 2550 F CB 1.436 40.458 39.000 0.036 0.000 1.360 2550 F HN 0.525 nan 8.300 nan 0.000 0.469 2551 S N 0.683 116.706 115.700 0.537 0.000 2.392 2551 S HA 0.491 4.962 4.470 0.000 0.000 0.246 2551 S C -1.174 173.726 174.600 0.499 0.000 0.999 2551 S CA -0.165 58.272 58.200 0.394 0.000 1.059 2551 S CB 0.642 64.039 63.200 0.329 0.000 1.194 2551 S HN 1.204 nan 8.310 nan 0.000 0.421 2552 T N 1.239 116.100 114.554 0.512 0.000 2.910 2552 T HA 0.649 4.999 4.350 0.000 0.000 0.287 2552 T C 0.013 174.858 174.700 0.241 0.000 1.050 2552 T CA -0.758 61.458 62.100 0.194 0.000 1.011 2552 T CB 1.705 70.484 68.868 -0.149 0.000 1.195 2552 T HN 0.631 nan 8.240 nan 0.000 0.540 2553 R N 1.061 121.648 120.500 0.144 0.000 2.629 2553 R HA 0.302 4.642 4.340 0.000 0.000 0.408 2553 R C -0.811 175.633 176.300 0.240 0.000 1.057 2553 R CA -0.165 56.056 56.100 0.201 0.000 1.119 2553 R CB 0.208 30.578 30.300 0.117 0.000 1.403 2553 R HN 0.427 nan 8.270 nan 0.000 0.576 2554 N N 1.024 119.817 118.700 0.154 0.000 2.564 2554 N HA 0.017 4.758 4.740 0.000 0.000 0.248 2554 N C 0.457 175.918 175.510 -0.081 0.000 0.986 2554 N CA -0.341 52.732 53.050 0.038 0.000 0.921 2554 N CB 1.450 39.903 38.487 -0.056 0.000 1.136 2554 N HN 0.148 nan 8.380 nan 0.000 0.509 2555 E N -0.012 119.904 120.200 -0.472 0.000 2.197 2555 E HA -0.222 4.128 4.350 0.000 0.000 0.205 2555 E C -0.302 176.163 176.600 -0.225 0.000 1.029 2555 E CA 1.115 57.013 56.400 -0.837 0.000 0.828 2555 E CB -0.023 29.190 29.700 -0.811 0.000 0.737 2555 E HN 0.175 nan 8.360 nan 0.000 0.464 2556 S N 0.371 116.007 115.700 -0.107 0.000 2.498 2556 S HA 0.633 5.103 4.470 0.000 0.000 0.324 2556 S C -0.300 174.318 174.600 0.030 0.000 1.071 2556 S CA -0.238 57.957 58.200 -0.009 0.000 1.113 2556 S CB 1.749 64.936 63.200 -0.023 0.000 0.976 2556 S HN 0.484 nan 8.310 nan 0.000 0.462 2557 G N 2.302 111.172 108.800 0.117 0.000 2.715 2557 G HA2 0.403 4.363 3.960 0.000 0.000 0.297 2557 G HA3 0.403 4.363 3.960 0.000 0.000 0.297 2557 G C -1.040 173.995 174.900 0.225 0.000 1.386 2557 G CA -0.797 44.422 45.100 0.199 0.000 1.157 2557 G HN 0.756 nan 8.290 nan 0.000 0.585 2558 I N 3.219 123.826 120.570 0.062 0.000 2.533 2558 I HA 0.316 4.487 4.170 0.000 0.000 0.284 2558 I C 0.405 176.416 176.117 -0.178 0.000 1.109 2558 I CA -0.527 60.749 61.300 -0.040 0.000 1.412 2558 I CB 0.524 38.418 38.000 -0.176 0.000 1.396 2558 I HN 0.526 nan 8.210 nan 0.000 0.543 2559 I N 6.730 127.147 120.570 -0.254 0.000 2.810 2559 I HA 0.124 4.294 4.170 0.000 0.000 0.262 2559 I C 0.029 176.001 176.117 -0.242 0.000 1.131 2559 I CA 0.408 61.401 61.300 -0.512 0.000 1.453 2559 I CB 0.275 37.936 38.000 -0.566 0.000 1.161 2559 I HN 0.486 nan 8.210 nan 0.000 0.444 2560 L N 0.394 121.567 121.223 -0.083 0.000 2.424 2560 L HA 0.729 5.069 4.340 0.000 0.000 0.258 2560 L C -1.785 175.125 176.870 0.067 0.000 0.995 2560 L CA -0.733 54.130 54.840 0.038 0.000 0.821 2560 L CB 2.394 44.506 42.059 0.089 0.000 1.383 2560 L HN -0.044 nan 8.230 nan 0.000 0.410 2561 L N 2.330 123.598 121.223 0.075 0.000 2.666 2561 L HA 0.757 5.098 4.340 0.000 0.000 0.259 2561 L C -1.153 175.643 176.870 -0.124 0.000 0.919 2561 L CA 0.199 55.019 54.840 -0.033 0.000 0.927 2561 L CB 2.083 44.099 42.059 -0.072 0.000 1.423 2561 L HN 0.683 nan 8.230 nan 0.000 0.426 2562 G N 2.630 111.116 108.800 -0.524 0.000 2.468 2562 G HA2 0.593 4.553 3.960 0.000 0.000 0.315 2562 G HA3 0.593 4.553 3.960 0.000 0.000 0.315 2562 G C -0.456 174.321 174.900 -0.204 0.000 1.203 2562 G CA 0.276 45.056 45.100 -0.533 0.000 0.962 2562 G HN 1.026 nan 8.290 nan 0.000 0.476 2580 A N 0.220 123.105 122.820 0.108 0.000 2.322 2580 A HA 0.856 5.176 4.320 0.000 0.000 0.269 2580 A C -0.055 177.642 177.584 0.188 0.000 1.094 2580 A CA 0.481 52.578 52.037 0.099 0.000 0.807 2580 A CB 0.058 19.090 19.000 0.055 0.000 1.047 2580 A HN 1.928 nan 8.150 nan 0.000 0.487 2581 Y N -1.571 118.747 120.300 0.030 0.000 2.774 2581 Y HA 0.568 5.118 4.550 0.000 0.000 0.346 2581 Y C -1.609 174.335 175.900 0.073 0.000 1.222 2581 Y CA -1.757 56.328 58.100 -0.025 0.000 1.088 2581 Y CB 0.501 38.929 38.460 -0.053 0.000 1.354 2581 Y HN 1.220 nan 8.280 nan 0.000 0.455 2582 Y N 0.212 120.618 120.300 0.177 0.000 2.544 2582 Y HA 1.034 5.585 4.550 0.000 0.000 0.342 2582 Y C -1.351 174.681 175.900 0.220 0.000 1.062 2582 Y CA -1.476 56.641 58.100 0.028 0.000 1.023 2582 Y CB 1.674 40.086 38.460 -0.081 0.000 1.308 2582 Y HN 1.387 nan 8.280 nan 0.000 0.457 2583 A N 2.832 125.879 122.820 0.379 0.000 2.577 2583 A HA 0.751 5.071 4.320 0.000 0.000 0.297 2583 A C -2.056 175.628 177.584 0.167 0.000 1.060 2583 A CA -0.745 51.467 52.037 0.293 0.000 0.697 2583 A CB 1.131 20.327 19.000 0.326 0.000 1.281 2583 A HN 0.788 nan 8.150 nan 0.000 0.402 2584 I N 2.560 123.194 120.570 0.106 0.000 2.382 2584 I HA 0.625 4.795 4.170 0.000 0.000 0.286 2584 I C -1.061 175.034 176.117 -0.036 0.000 1.002 2584 I CA -0.419 60.843 61.300 -0.062 0.000 1.135 2584 I CB 1.036 38.984 38.000 -0.087 0.000 1.288 2584 I HN 0.648 nan 8.210 nan 0.000 0.448 2585 F N 5.443 125.281 119.950 -0.187 0.000 2.641 2585 F HA 0.595 5.122 4.527 0.000 0.000 0.308 2585 F C -1.864 173.850 175.800 -0.142 0.000 1.105 2585 F CA -1.289 56.594 58.000 -0.196 0.000 0.964 2585 F CB 0.770 39.664 39.000 -0.176 0.000 1.294 2585 F HN 0.052 nan 8.300 nan 0.000 0.442 2586 L N 3.543 124.828 121.223 0.103 0.000 2.349 2586 L HA 0.413 4.753 4.340 0.000 0.000 0.275 2586 L C -0.470 176.535 176.870 0.225 0.000 1.115 2586 L CA 0.001 54.901 54.840 0.099 0.000 0.820 2586 L CB 0.651 42.779 42.059 0.116 0.000 1.135 2586 L HN 0.818 nan 8.230 nan 0.000 0.445 2587 N N 3.768 122.562 118.700 0.158 0.000 2.577 2587 N HA 0.153 4.894 4.740 0.000 0.000 0.275 2587 N C -0.588 174.962 175.510 0.068 0.000 1.091 2587 N CA -0.324 52.828 53.050 0.170 0.000 0.843 2587 N CB 0.628 39.285 38.487 0.284 0.000 1.295 2587 N HN 0.512 nan 8.380 nan 0.000 0.530 2588 K N 1.974 122.376 120.400 0.003 0.000 3.035 2588 K HA -0.253 4.067 4.320 0.000 0.000 0.262 2588 K C 0.832 177.412 176.600 -0.033 0.000 1.024 2588 K CA 1.011 57.277 56.287 -0.036 0.000 0.748 2588 K CB -1.481 31.024 32.500 0.007 0.000 1.247 2588 K HN 0.926 nan 8.250 nan 0.000 0.482 2589 G N -0.893 107.873 108.800 -0.058 0.000 2.313 2589 G HA2 -0.270 3.690 3.960 0.000 0.000 0.215 2589 G HA3 -0.270 3.690 3.960 0.000 0.000 0.215 2589 G C -0.051 174.906 174.900 0.095 0.000 1.023 2589 G CA -0.047 45.086 45.100 0.055 0.000 0.626 2589 G HN 0.133 nan 8.290 nan 0.000 0.503 2590 R N 0.324 120.867 120.500 0.071 0.000 2.582 2590 R HA 0.598 4.939 4.340 0.000 0.000 0.271 2590 R C -0.013 176.358 176.300 0.119 0.000 1.078 2590 R CA -0.774 55.375 56.100 0.081 0.000 1.127 2590 R CB 0.621 30.945 30.300 0.041 0.000 1.038 2590 R HN 0.459 nan 8.270 nan 0.000 0.500 2591 L N 2.282 123.582 121.223 0.128 0.000 2.337 2591 L HA 0.279 4.619 4.340 0.000 0.000 0.269 2591 L C -0.024 176.722 176.870 -0.207 0.000 1.018 2591 L CA -0.218 54.605 54.840 -0.030 0.000 0.876 2591 L CB 0.618 42.671 42.059 -0.010 0.000 1.236 2591 L HN 0.503 nan 8.230 nan 0.000 0.436 2592 E N 2.731 122.638 120.200 -0.489 0.000 2.369 2592 E HA 0.440 4.791 4.350 0.000 0.000 0.255 2592 E C -1.112 175.193 176.600 -0.492 0.000 1.172 2592 E CA -0.545 55.519 56.400 -0.560 0.000 0.932 2592 E CB 2.226 31.332 29.700 -0.989 0.000 1.040 2592 E HN 0.294 nan 8.360 nan 0.000 0.454 2593 V N 2.053 121.905 119.914 -0.103 0.000 2.653 2593 V HA 0.166 4.286 4.120 0.000 0.000 0.298 2593 V C -1.153 175.125 176.094 0.306 0.000 1.097 2593 V CA -0.602 61.717 62.300 0.032 0.000 0.908 2593 V CB 1.405 33.277 31.823 0.082 0.000 1.024 2593 V HN 0.637 nan 8.190 nan 0.000 0.435 2594 H N 5.155 124.238 119.070 0.023 0.000 2.524 2594 H HA 0.779 5.335 4.556 0.000 0.000 0.353 2594 H C -1.070 174.127 175.328 -0.219 0.000 1.136 2594 H CA -0.889 55.158 56.048 -0.001 0.000 1.193 2594 H CB 2.585 32.481 29.762 0.222 0.000 1.558 2594 H HN 0.373 nan 8.280 nan 0.000 0.515 2595 L N 2.347 123.443 121.223 -0.212 0.000 2.431 2595 L HA 0.463 4.804 4.340 0.000 0.000 0.266 2595 L C -0.509 176.187 176.870 -0.289 0.000 0.978 2595 L CA -0.521 54.132 54.840 -0.313 0.000 0.822 2595 L CB 2.065 43.849 42.059 -0.459 0.000 1.310 2595 L HN 0.773 nan 8.230 nan 0.000 0.409 2596 S N 1.023 116.543 115.700 -0.301 0.000 2.636 2596 S HA 0.905 5.375 4.470 0.000 0.000 0.266 2596 S C -1.028 173.502 174.600 -0.117 0.000 1.147 2596 S CA -0.238 57.837 58.200 -0.208 0.000 0.815 2596 S CB 1.992 65.031 63.200 -0.267 0.000 1.119 2596 S HN 0.803 nan 8.310 nan 0.000 0.470 2603 R N 3.211 123.709 120.500 -0.005 0.000 2.596 2603 R HA 0.989 5.329 4.340 0.000 0.000 0.267 2603 R C -0.472 175.898 176.300 0.117 0.000 1.026 2603 R CA 0.193 56.335 56.100 0.070 0.000 1.087 2603 R CB 0.905 31.303 30.300 0.163 0.000 1.132 2603 R HN 0.796 nan 8.270 nan 0.000 0.531 2604 K N -0.252 120.239 120.400 0.151 0.000 2.639 2604 K HA 0.532 4.852 4.320 0.000 0.000 0.279 2604 K C -1.566 175.118 176.600 0.139 0.000 0.976 2604 K CA -0.545 55.862 56.287 0.199 0.000 0.861 2604 K CB 0.518 32.919 32.500 -0.165 0.000 1.436 2604 K HN 0.443 nan 8.250 nan 0.000 0.400 2605 I N 1.556 122.258 120.570 0.219 0.000 2.648 2605 I HA 0.640 4.810 4.170 0.000 0.000 0.304 2605 I C -0.850 175.279 176.117 0.021 0.000 1.009 2605 I CA -1.555 59.779 61.300 0.056 0.000 1.114 2605 I CB 2.242 40.245 38.000 0.005 0.000 1.293 2605 I HN 0.403 nan 8.210 nan 0.000 0.449 2606 V N 6.387 126.284 119.914 -0.027 0.000 2.532 2606 V HA 0.405 4.526 4.120 0.000 0.000 0.294 2606 V C -0.286 175.751 176.094 -0.096 0.000 1.036 2606 V CA -0.404 61.868 62.300 -0.048 0.000 0.876 2606 V CB 1.598 33.422 31.823 0.002 0.000 1.012 2606 V HN 0.448 nan 8.190 nan 0.000 0.432 2607 I N 3.893 124.379 120.570 -0.140 0.000 2.331 2607 I HA 0.551 4.721 4.170 0.000 0.000 0.292 2607 I C 0.574 176.708 176.117 0.028 0.000 0.998 2607 I CA -0.430 60.782 61.300 -0.146 0.000 1.267 2607 I CB 1.513 39.398 38.000 -0.192 0.000 1.386 2607 I HN 0.691 nan 8.210 nan 0.000 0.476 2608 K N 8.473 128.875 120.400 0.003 0.000 2.234 2608 K HA 0.518 4.838 4.320 0.000 0.000 0.277 2608 K C -2.501 174.006 176.600 -0.154 0.000 1.038 2608 K CA -1.651 54.602 56.287 -0.056 0.000 0.888 2608 K CB 0.003 32.492 32.500 -0.018 0.000 1.091 2608 K HN 0.462 nan 8.250 nan 0.000 0.467 2609 P HA 0.394 nan 4.420 nan 0.000 0.269 2609 P C -0.294 176.865 177.300 -0.234 0.000 1.215 2609 P CA 0.175 62.933 63.100 -0.570 0.000 0.780 2609 P CB 0.846 31.883 31.700 -1.104 0.000 0.898 2610 E N -0.242 119.875 120.200 -0.139 0.000 2.304 2610 E HA 0.591 4.941 4.350 0.000 0.000 0.277 2610 E C -1.202 175.383 176.600 -0.026 0.000 0.898 2610 E CA -0.590 55.776 56.400 -0.057 0.000 0.764 2610 E CB 0.850 30.541 29.700 -0.014 0.000 1.216 2610 E HN 0.705 nan 8.360 nan 0.000 0.419 2611 P HA 0.022 nan 4.420 nan 0.000 0.120 2611 P C 0.175 177.480 177.300 0.008 0.000 0.531 2611 P CA 2.592 65.694 63.100 0.003 0.000 0.371 2611 P CB -2.183 29.530 31.700 0.021 0.000 0.328 2612 N N -1.856 116.836 118.700 -0.013 0.000 2.928 2612 N HA 0.579 5.319 4.740 0.000 0.000 0.247 2612 N C -0.467 175.005 175.510 -0.063 0.000 1.141 2612 N CA 0.161 53.215 53.050 0.006 0.000 0.977 2612 N CB 0.900 nan 38.487 nan 0.000 1.663 2612 N HN 0.647 nan 8.380 nan 0.000 0.509 2613 R N -0.146 120.322 120.500 -0.054 0.000 2.652 2613 R HA 0.576 4.916 4.340 0.000 0.000 0.271 2613 R C 0.265 176.599 176.300 0.058 0.000 1.129 2613 R CA -0.175 55.854 56.100 -0.119 0.000 1.200 2613 R CB 0.598 30.779 30.300 -0.198 0.000 1.146 2613 R HN 0.693 nan 8.270 nan 0.000 0.581 2614 F N -0.172 119.833 119.950 0.091 0.000 2.343 2614 F HA -0.013 4.514 4.527 0.000 0.000 0.286 2614 F C 1.793 177.813 175.800 0.367 0.000 1.057 2614 F CA -0.202 57.833 58.000 0.058 0.000 1.365 2614 F CB 0.090 39.189 39.000 0.165 0.000 1.114 2614 F HN 0.553 nan 8.300 nan 0.000 0.545 2615 H N 0.492 119.830 119.070 0.446 0.000 3.262 2615 H HA 0.031 4.587 4.556 0.000 0.000 0.270 2615 H C -0.211 175.273 175.328 0.259 0.000 1.431 2615 H CA 0.208 56.469 56.048 0.356 0.000 1.237 2615 H CB -1.520 28.387 29.762 0.242 0.000 1.443 2615 H HN 0.434 nan 8.280 nan 0.000 0.609 2616 D N -0.435 120.069 120.400 0.174 0.000 2.358 2616 D HA 0.082 4.722 4.640 0.000 0.000 0.224 2616 D C 1.400 177.763 176.300 0.105 0.000 1.123 2616 D CA 0.038 54.081 54.000 0.072 0.000 0.833 2616 D CB -0.393 40.468 40.800 0.103 0.000 0.946 2616 D HN 0.509 nan 8.370 nan 0.000 0.505 2617 G N 1.781 110.673 108.800 0.152 0.000 2.196 2617 G HA2 -0.358 3.602 3.960 0.000 0.000 0.268 2617 G HA3 -0.358 3.602 3.960 0.000 0.000 0.268 2617 G C 0.389 175.329 174.900 0.066 0.000 0.975 2617 G CA 0.739 45.909 45.100 0.116 0.000 0.648 2617 G HN 0.732 nan 8.290 nan 0.000 0.538 2618 R N 0.041 120.539 120.500 -0.004 0.000 2.828 2618 R HA 0.732 5.072 4.340 0.000 0.000 0.264 2618 R C 0.135 176.241 176.300 -0.323 0.000 1.022 2618 R CA -0.712 55.320 56.100 -0.114 0.000 1.021 2618 R CB 1.324 31.547 30.300 -0.127 0.000 1.163 2618 R HN 0.219 nan 8.270 nan 0.000 0.494 2619 E N 0.990 121.069 120.200 -0.203 0.000 2.467 2619 E HA -0.094 4.256 4.350 0.000 0.000 0.264 2619 E C -0.972 175.240 176.600 -0.646 0.000 1.020 2619 E CA 0.574 56.859 56.400 -0.192 0.000 0.945 2619 E CB 0.405 30.143 29.700 0.064 0.000 0.942 2619 E HN 0.470 nan 8.360 nan 0.000 0.449 2620 H N 1.033 119.856 119.070 -0.412 0.000 3.042 2620 H HA 0.166 4.722 4.556 0.000 0.000 0.345 2620 H C -1.171 173.871 175.328 -0.476 0.000 1.052 2620 H CA -0.727 55.012 56.048 -0.515 0.000 1.311 2620 H CB 1.500 30.701 29.762 -0.935 0.000 1.810 2620 H HN 0.475 nan 8.280 nan 0.000 0.505 2621 S N 2.041 117.677 115.700 -0.107 0.000 2.449 2621 S HA 0.643 5.113 4.470 0.000 0.000 0.310 2621 S C -0.111 174.492 174.600 0.006 0.000 1.096 2621 S CA -0.690 57.460 58.200 -0.083 0.000 1.095 2621 S CB 1.636 64.790 63.200 -0.076 0.000 1.007 2621 S HN 0.217 nan 8.310 nan 0.000 0.474 2622 V N 3.219 123.158 119.914 0.041 0.000 2.612 2622 V HA 0.562 4.682 4.120 0.000 0.000 0.301 2622 V C -0.508 175.650 176.094 0.107 0.000 1.046 2622 V CA -0.598 61.736 62.300 0.057 0.000 0.946 2622 V CB 1.424 33.267 31.823 0.033 0.000 1.003 2622 V HN 1.036 nan 8.190 nan 0.000 0.459 2623 H N 2.083 121.149 119.070 -0.007 0.000 2.759 2623 H HA 0.766 5.322 4.556 0.000 0.000 0.354 2623 H C -1.520 173.818 175.328 0.016 0.000 1.074 2623 H CA -0.562 55.486 56.048 -0.001 0.000 1.226 2623 H CB 1.919 31.686 29.762 0.007 0.000 1.648 2623 H HN 0.377 nan 8.280 nan 0.000 0.529 2624 V N 5.054 124.716 119.914 -0.420 0.000 2.623 2624 V HA 0.336 4.456 4.120 0.000 0.000 0.304 2624 V C -0.603 175.247 176.094 -0.406 0.000 1.054 2624 V CA -0.811 61.299 62.300 -0.317 0.000 0.882 2624 V CB 1.708 33.428 31.823 -0.172 0.000 1.002 2624 V HN 0.854 nan 8.190 nan 0.000 0.424 2625 E N 4.224 124.254 120.200 -0.284 0.000 2.265 2625 E HA 0.432 4.782 4.350 0.000 0.000 0.262 2625 E C -0.783 175.802 176.600 -0.025 0.000 0.889 2625 E CA -0.779 55.517 56.400 -0.173 0.000 0.789 2625 E CB 1.666 31.269 29.700 -0.162 0.000 1.221 2625 E HN 0.677 nan 8.360 nan 0.000 0.414 2626 R N 3.857 124.332 120.500 -0.041 0.000 2.202 2626 R HA 0.282 4.622 4.340 0.000 0.000 0.334 2626 R C -0.207 176.097 176.300 0.006 0.000 1.036 2626 R CA 0.130 56.238 56.100 0.013 0.000 0.878 2626 R CB 0.752 31.013 30.300 -0.065 0.000 1.067 2626 R HN 0.689 nan 8.270 nan 0.000 0.457 2627 T N 1.219 115.793 114.554 0.032 0.000 2.769 2627 T HA 0.334 4.685 4.350 0.000 0.000 0.258 2627 T C 0.142 174.854 174.700 0.019 0.000 1.008 2627 T CA -0.849 61.262 62.100 0.017 0.000 1.021 2627 T CB 0.372 69.251 68.868 0.018 0.000 1.788 2627 T HN 0.564 nan 8.240 nan 0.000 0.577 2628 R N 0.042 120.550 120.500 0.013 0.000 2.298 2628 R HA 0.437 4.777 4.340 0.000 0.000 0.310 2628 R C 1.376 177.684 176.300 0.014 0.000 1.068 2628 R CA 0.873 56.980 56.100 0.011 0.000 0.957 2628 R CB -0.310 29.994 30.300 0.006 0.000 1.003 2628 R HN 1.090 nan 8.270 nan 0.000 0.454 2629 G N 3.740 112.550 108.800 0.017 0.000 2.216 2629 G HA2 -0.269 3.691 3.960 0.000 0.000 0.269 2629 G HA3 -0.269 3.691 3.960 0.000 0.000 0.269 2629 G C 0.043 174.956 174.900 0.022 0.000 0.981 2629 G CA 0.769 45.879 45.100 0.017 0.000 0.658 2629 G HN 0.485 nan 8.290 nan 0.000 0.539 2630 I N -1.123 119.469 120.570 0.037 0.000 3.191 2630 I HA 0.823 4.993 4.170 0.000 0.000 0.313 2630 I C -0.650 175.548 176.117 0.134 0.000 1.193 2630 I CA -1.397 59.925 61.300 0.037 0.000 0.968 2630 I CB 1.953 39.950 38.000 -0.006 0.000 1.262 2630 I HN 0.292 nan 8.210 nan 0.000 0.456 2631 F N 0.692 120.619 119.950 -0.038 0.000 2.665 2631 F HA 0.766 5.293 4.527 0.000 0.000 0.308 2631 F C -1.319 174.452 175.800 -0.047 0.000 1.112 2631 F CA -0.504 57.463 58.000 -0.055 0.000 0.972 2631 F CB 1.557 40.520 39.000 -0.062 0.000 1.295 2631 F HN 0.337 nan 8.300 nan 0.000 0.440 2632 T N 2.794 117.527 114.554 0.299 0.000 2.901 2632 T HA 0.827 5.177 4.350 0.000 0.000 0.293 2632 T C -1.527 173.271 174.700 0.163 0.000 1.084 2632 T CA -0.680 61.475 62.100 0.091 0.000 1.008 2632 T CB 2.206 71.087 68.868 0.023 0.000 1.170 2632 T HN 0.646 nan 8.240 nan 0.000 0.509 2633 V N 1.539 121.512 119.914 0.098 0.000 2.932 2633 V HA 0.678 4.798 4.120 0.000 0.000 0.307 2633 V C -1.096 175.057 176.094 0.098 0.000 1.147 2633 V CA -0.749 61.603 62.300 0.086 0.000 0.951 2633 V CB 2.138 34.024 31.823 0.105 0.000 1.031 2633 V HN 0.853 nan 8.190 nan 0.000 0.426 2634 Q N 3.185 123.048 119.800 0.105 0.000 2.331 2634 Q HA 0.579 4.919 4.340 0.000 0.000 0.249 2634 Q C -2.098 173.965 176.000 0.104 0.000 0.913 2634 Q CA -0.418 55.465 55.803 0.134 0.000 0.874 2634 Q CB 2.093 30.935 28.738 0.174 0.000 1.384 2634 Q HN 0.783 nan 8.270 nan 0.000 0.427 2635 I N 3.102 123.715 120.570 0.071 0.000 2.437 2635 I HA 0.221 4.391 4.170 0.000 0.000 0.298 2635 I C -0.120 176.041 176.117 0.072 0.000 0.984 2635 I CA -0.627 60.687 61.300 0.022 0.000 1.214 2635 I CB 1.402 39.334 38.000 -0.113 0.000 1.365 2635 I HN 0.687 nan 8.210 nan 0.000 0.469 2636 D N 5.138 125.576 120.400 0.064 0.000 2.813 2636 D HA -0.218 4.422 4.640 0.000 0.000 0.218 2636 D C 0.301 176.654 176.300 0.087 0.000 1.240 2636 D CA 1.256 55.308 54.000 0.088 0.000 0.644 2636 D CB -0.832 40.063 40.800 0.159 0.000 0.966 2636 D HN 0.915 nan 8.370 nan 0.000 0.398 2637 E N -1.201 119.040 120.200 0.068 0.000 2.272 2637 E HA -0.270 4.080 4.350 0.000 0.000 0.160 2637 E C -0.650 175.999 176.600 0.081 0.000 1.627 2637 E CA 1.062 57.500 56.400 0.064 0.000 0.641 2637 E CB -0.394 29.331 29.700 0.041 0.000 1.060 2637 E HN 0.353 nan 8.360 nan 0.000 0.324 2638 D N 0.482 120.943 120.400 0.103 0.000 2.947 2638 D HA 0.401 5.041 4.640 0.000 0.000 0.211 2638 D C 0.353 176.720 176.300 0.112 0.000 1.326 2638 D CA 0.075 54.143 54.000 0.113 0.000 1.095 2638 D CB -0.099 40.793 40.800 0.153 0.000 1.206 2638 D HN 0.408 nan 8.370 nan 0.000 0.619 2639 R N 0.303 120.887 120.500 0.140 0.000 2.309 2639 R HA 0.579 4.919 4.340 0.000 0.000 0.331 2639 R C 0.504 176.913 176.300 0.182 0.000 1.116 2639 R CA -0.114 56.046 56.100 0.100 0.000 0.970 2639 R CB -1.783 28.535 30.300 0.030 0.000 1.024 2639 R HN 0.486 nan 8.270 nan 0.000 0.472 2640 R N 2.883 123.451 120.500 0.113 0.000 2.413 2640 R HA 0.229 4.569 4.340 0.000 0.000 0.333 2640 R C -0.333 176.027 176.300 0.100 0.000 1.074 2640 R CA 0.002 56.182 56.100 0.134 0.000 0.982 2640 R CB -1.201 29.152 30.300 0.089 0.000 0.981 2640 R HN 0.921 nan 8.270 nan 0.000 0.452 2641 H N 0.834 119.897 119.070 -0.011 0.000 2.745 2641 H HA 0.506 5.062 4.556 0.000 0.000 0.373 2641 H C 0.481 175.735 175.328 -0.124 0.000 1.226 2641 H CA 0.322 56.336 56.048 -0.057 0.000 1.435 2641 H CB 0.912 30.642 29.762 -0.053 0.000 1.461 2641 H HN 0.790 nan 8.280 nan 0.000 0.616 2642 M N 0.977 120.529 119.600 -0.080 0.000 2.631 2642 M HA 0.404 4.884 4.480 0.000 0.000 0.288 2642 M C -1.758 174.356 176.300 -0.311 0.000 1.260 2642 M CA -0.823 54.354 55.300 -0.204 0.000 0.842 2642 M CB 2.145 34.664 32.600 -0.135 0.000 1.743 2642 M HN 0.622 nan 8.290 nan 0.000 0.461 2643 Q N 1.648 121.181 119.800 -0.445 0.000 2.479 2643 Q HA 0.445 4.785 4.340 0.000 0.000 0.276 2643 Q C -1.980 173.857 176.000 -0.272 0.000 0.989 2643 Q CA -0.621 54.931 55.803 -0.419 0.000 0.864 2643 Q CB 1.708 30.026 28.738 -0.701 0.000 1.444 2643 Q HN 0.807 nan 8.270 nan 0.000 0.388 2644 N N 2.362 120.988 118.700 -0.125 0.000 2.444 2644 N HA 0.411 5.151 4.740 0.000 0.000 0.255 2644 N C -0.605 174.926 175.510 0.035 0.000 1.255 2644 N CA 0.106 53.132 53.050 -0.040 0.000 0.933 2644 N CB 0.710 39.182 38.487 -0.026 0.000 1.143 2644 N HN 0.647 nan 8.380 nan 0.000 0.453 2645 L N 1.039 122.295 121.223 0.056 0.000 2.416 2645 L HA 0.046 4.386 4.340 0.000 0.000 0.274 2645 L C -0.522 176.375 176.870 0.044 0.000 1.435 2645 L CA -0.097 54.794 54.840 0.086 0.000 0.668 2645 L CB 0.166 42.328 42.059 0.172 0.000 0.928 2645 L HN 0.407 nan 8.230 nan 0.000 0.519 2646 T N 0.973 115.542 114.554 0.025 0.000 4.454 2646 T HA 0.102 4.452 4.350 0.000 0.000 0.208 2646 T C -0.042 174.665 174.700 0.011 0.000 0.828 2646 T CA 0.833 62.941 62.100 0.014 0.000 1.476 2646 T CB -0.553 68.320 68.868 0.007 0.000 1.336 2646 T HN 0.467 nan 8.240 nan 0.000 0.895 2647 E N 0.307 120.515 120.200 0.012 0.000 2.413 2647 E HA 0.309 4.660 4.350 0.000 0.000 0.277 2647 E C 0.153 176.756 176.600 0.004 0.000 0.958 2647 E CA -0.726 55.678 56.400 0.006 0.000 0.779 2647 E CB 1.977 31.679 29.700 0.003 0.000 1.278 2647 E HN 0.278 nan 8.360 nan 0.000 0.456 2648 E N -0.007 120.194 120.200 0.001 0.000 2.500 2648 E HA 0.044 4.394 4.350 0.000 0.000 0.217 2648 E C 0.285 176.883 176.600 -0.004 0.000 0.848 2648 E CA 0.078 56.477 56.400 -0.002 0.000 1.217 2648 E CB 0.947 30.647 29.700 -0.000 0.000 1.217 2648 E HN 0.545 nan 8.360 nan 0.000 0.573 2649 Q N 3.195 122.993 119.800 -0.003 0.000 2.361 2649 Q HA 0.143 4.483 4.340 0.000 0.000 0.276 2649 Q C -2.367 173.629 176.000 -0.006 0.000 1.022 2649 Q CA -1.105 54.697 55.803 -0.002 0.000 0.898 2649 Q CB -1.059 27.679 28.738 0.001 0.000 1.246 2649 Q HN -0.033 nan 8.270 nan 0.000 0.410 2650 P HA 0.283 nan 4.420 nan 0.000 0.281 2650 P C -0.257 177.044 177.300 0.003 0.000 1.252 2650 P CA -0.286 62.809 63.100 -0.009 0.000 0.778 2650 P CB 0.337 32.033 31.700 -0.006 0.000 0.895 2651 I N 0.401 120.971 120.570 -0.001 0.000 2.372 2651 I HA 0.278 4.448 4.170 0.000 0.000 0.298 2651 I C -0.029 176.137 176.117 0.082 0.000 1.137 2651 I CA -0.381 60.936 61.300 0.029 0.000 1.314 2651 I CB -0.216 37.792 38.000 0.013 0.000 1.444 2651 I HN 0.209 nan 8.210 nan 0.000 0.541 2652 E N 6.061 126.303 120.200 0.071 0.000 2.266 2652 E HA 0.580 4.930 4.350 0.000 0.000 0.277 2652 E C -0.294 176.360 176.600 0.089 0.000 1.018 2652 E CA -0.893 55.559 56.400 0.086 0.000 0.840 2652 E CB 2.374 32.106 29.700 0.053 0.000 1.082 2652 E HN 0.631 nan 8.360 nan 0.000 0.395 2653 V N -1.614 118.357 119.914 0.096 0.000 3.126 2653 V HA 0.685 4.805 4.120 0.000 0.000 0.314 2653 V C 0.624 176.743 176.094 0.042 0.000 1.138 2653 V CA -0.428 61.905 62.300 0.056 0.000 1.034 2653 V CB 1.117 32.941 31.823 0.001 0.000 1.075 2653 V HN 0.737 nan 8.190 nan 0.000 0.442 2654 K N 0.201 120.620 120.400 0.032 0.000 2.202 2654 K HA 0.395 4.715 4.320 0.000 0.000 0.201 2654 K C 0.928 177.536 176.600 0.014 0.000 1.051 2654 K CA 0.915 57.217 56.287 0.026 0.000 0.977 2654 K CB -0.076 32.441 32.500 0.028 0.000 0.792 2654 K HN 0.784 nan 8.250 nan 0.000 0.469 2655 K N -0.616 119.800 120.400 0.027 0.000 2.435 2655 K HA 0.638 4.958 4.320 0.000 0.000 0.251 2655 K C -1.811 174.726 176.600 -0.104 0.000 0.954 2655 K CA -1.060 55.193 56.287 -0.055 0.000 0.820 2655 K CB 1.986 34.530 32.500 0.072 0.000 1.292 2655 K HN 0.109 nan 8.250 nan 0.000 0.436 2656 L N 2.400 123.409 121.223 -0.357 0.000 2.365 2656 L HA 0.626 4.966 4.340 0.000 0.000 0.273 2656 L C -1.773 174.827 176.870 -0.451 0.000 1.000 2656 L CA -0.283 54.435 54.840 -0.202 0.000 0.819 2656 L CB 0.935 42.968 42.059 -0.043 0.000 1.284 2656 L HN 0.511 nan 8.230 nan 0.000 0.418 2657 F N 3.470 123.431 119.950 0.019 0.000 2.599 2657 F HA 0.750 5.277 4.527 0.000 0.000 0.311 2657 F C -0.433 175.412 175.800 0.075 0.000 1.076 2657 F CA -0.911 57.127 58.000 0.064 0.000 0.937 2657 F CB 2.264 41.245 39.000 -0.032 0.000 1.282 2657 F HN 0.121 nan 8.300 nan 0.000 0.460 2658 V N 0.849 120.956 119.914 0.321 0.000 2.604 2658 V HA 0.689 4.810 4.120 0.000 0.000 0.305 2658 V C 0.462 176.624 176.094 0.114 0.000 1.043 2658 V CA -0.019 62.402 62.300 0.201 0.000 0.888 2658 V CB 1.086 33.053 31.823 0.241 0.000 0.995 2658 V HN 1.062 nan 8.190 nan 0.000 0.429 2659 G N 3.189 111.872 108.800 -0.195 0.000 2.417 2659 G HA2 0.028 3.988 3.960 0.000 0.000 0.233 2659 G HA3 0.028 3.988 3.960 0.000 0.000 0.233 2659 G C 0.722 175.431 174.900 -0.319 0.000 1.103 2659 G CA 0.256 44.988 45.100 -0.613 0.000 0.647 2659 G HN 2.064 nan 8.290 nan 0.000 0.512 2660 G N -1.353 107.369 108.800 -0.130 0.000 2.452 2660 G HA2 0.769 4.729 3.960 0.000 0.000 0.224 2660 G HA3 0.769 4.729 3.960 0.000 0.000 0.224 2660 G C -0.632 174.120 174.900 -0.247 0.000 1.208 2660 G CA 1.427 46.438 45.100 -0.148 0.000 0.946 2660 G HN 2.427 nan 8.290 nan 0.000 0.481 2661 A N -0.771 121.766 122.820 -0.471 0.000 2.549 2661 A HA 0.734 5.055 4.320 0.000 0.000 0.297 2661 A C -3.181 173.892 177.584 -0.851 0.000 0.983 2661 A CA -0.216 51.163 52.037 -1.096 0.000 0.654 2661 A CB 0.441 18.443 19.000 -1.664 0.000 1.319 2661 A HN 1.034 nan 8.150 nan 0.000 0.428 2662 P HA 0.465 nan 4.420 nan 0.000 0.271 2662 P C -2.240 174.815 177.300 -0.408 0.000 1.216 2662 P CA -0.264 62.535 63.100 -0.502 0.000 0.771 2662 P CB -0.604 30.858 31.700 -0.397 0.000 0.864 2673 I N 1.414 121.876 120.570 -0.180 0.000 2.647 2673 I HA 0.654 4.824 4.170 0.000 0.000 0.295 2673 I C -1.966 174.071 176.117 -0.133 0.000 1.078 2673 I CA -1.767 59.435 61.300 -0.164 0.000 1.048 2673 I CB 1.991 39.836 38.000 -0.260 0.000 1.239 2673 I HN 0.140 nan 8.210 nan 0.000 0.421 2674 P HA 0.078 nan 4.420 nan 0.000 0.271 2674 P C -0.895 176.368 177.300 -0.061 0.000 1.212 2674 P CA -0.156 62.906 63.100 -0.063 0.000 0.788 2674 P CB 0.312 31.986 31.700 -0.044 0.000 0.865 2675 A N 1.186 123.979 122.820 -0.046 0.000 2.304 2675 A HA 0.421 4.741 4.320 0.000 0.000 0.271 2675 A C -0.466 177.116 177.584 -0.003 0.000 1.091 2675 A CA -0.325 51.693 52.037 -0.033 0.000 0.812 2675 A CB -0.173 18.810 19.000 -0.028 0.000 1.056 2675 A HN 0.503 nan 8.150 nan 0.000 0.489 2676 F N 0.337 120.209 119.950 -0.130 0.000 2.396 2676 F HA 0.490 5.017 4.527 0.000 0.000 0.343 2676 F C 0.329 176.103 175.800 -0.044 0.000 1.104 2676 F CA 0.291 58.234 58.000 -0.095 0.000 1.161 2676 F CB 0.978 39.881 39.000 -0.161 0.000 1.146 2676 F HN 0.584 nan 8.300 nan 0.000 0.522 2677 Q N 4.565 123.838 119.800 -0.878 0.000 2.309 2677 Q HA 0.562 4.902 4.340 0.000 0.000 0.254 2677 Q C -0.463 175.248 176.000 -0.482 0.000 0.938 2677 Q CA -0.527 55.026 55.803 -0.417 0.000 0.789 2677 Q CB 1.849 30.501 28.738 -0.142 0.000 1.313 2677 Q HN 1.067 nan 8.270 nan 0.000 0.438 2678 G N 0.446 109.179 108.800 -0.112 0.000 2.513 2678 G HA2 0.305 4.265 3.960 0.000 0.000 0.182 2678 G HA3 0.305 4.265 3.960 0.000 0.000 0.182 2678 G C -1.549 173.647 174.900 0.494 0.000 1.190 2678 G CA 0.035 45.222 45.100 0.146 0.000 0.987 2678 G HN 0.910 nan 8.290 nan 0.000 0.479 2679 c N -0.870 118.115 118.600 0.641 0.000 2.888 2679 c HA 0.895 5.465 4.570 0.000 0.000 0.308 2679 c C -0.490 174.078 174.090 0.797 0.000 1.213 2679 c CA -0.893 55.823 56.329 0.644 0.000 1.461 2679 c CB 1.025 43.767 42.510 0.386 0.000 1.934 2679 c HN 0.973 nan 8.230 nan 0.000 0.474 2680 V N 2.871 123.179 119.914 0.656 0.000 2.555 2680 V HA 0.867 4.987 4.120 0.000 0.000 0.302 2680 V C -0.456 176.032 176.094 0.657 0.000 1.038 2680 V CA 0.030 62.640 62.300 0.517 0.000 0.887 2680 V CB 1.407 33.419 31.823 0.315 0.000 0.991 2680 V HN 1.142 nan 8.190 nan 0.000 0.434 2681 W N 3.468 124.948 121.300 0.301 0.000 3.075 2681 W HA 0.639 5.299 4.660 0.000 0.000 0.334 2681 W C -0.321 176.321 176.519 0.206 0.000 1.243 2681 W CA -0.907 56.616 57.345 0.297 0.000 1.170 2681 W CB 0.864 30.460 29.460 0.226 0.000 1.452 2681 W HN 0.446 nan 8.180 nan 0.000 0.572 2682 N N 1.093 120.017 118.700 0.373 0.000 2.738 2682 N HA -0.238 4.502 4.740 0.000 0.000 0.249 2682 N C -0.800 174.735 175.510 0.041 0.000 1.047 2682 N CA 1.140 54.276 53.050 0.142 0.000 0.707 2682 N CB -1.292 37.265 38.487 0.117 0.000 0.937 2682 N HN 0.677 nan 8.380 nan 0.000 0.545 2683 L N 0.197 121.477 121.223 0.095 0.000 2.418 2683 L HA 0.331 4.671 4.340 0.000 0.000 0.274 2683 L C -0.277 176.614 176.870 0.034 0.000 1.135 2683 L CA -0.110 54.777 54.840 0.079 0.000 0.870 2683 L CB 1.104 43.260 42.059 0.162 0.000 1.154 2683 L HN 0.020 nan 8.230 nan 0.000 0.462 2684 V N 7.071 126.995 119.914 0.018 0.000 2.577 2684 V HA 0.537 4.657 4.120 0.000 0.000 0.303 2684 V C -0.108 175.991 176.094 0.007 0.000 1.042 2684 V CA -0.484 61.816 62.300 0.001 0.000 0.872 2684 V CB 1.579 33.388 31.823 -0.022 0.000 0.998 2684 V HN 0.651 nan 8.190 nan 0.000 0.423 2685 I N 3.609 124.181 120.570 0.003 0.000 2.533 2685 I HA 0.492 4.663 4.170 0.000 0.000 0.290 2685 I C 0.060 176.167 176.117 -0.017 0.000 1.056 2685 I CA -0.762 60.529 61.300 -0.015 0.000 1.057 2685 I CB 2.180 40.175 38.000 -0.008 0.000 1.240 2685 I HN 0.628 nan 8.210 nan 0.000 0.423 2686 N N 3.768 122.450 118.700 -0.030 0.000 2.714 2686 N HA -0.205 4.535 4.740 0.000 0.000 0.252 2686 N C 0.421 175.924 175.510 -0.012 0.000 1.014 2686 N CA 1.255 54.291 53.050 -0.023 0.000 0.735 2686 N CB -0.676 37.797 38.487 -0.023 0.000 0.924 2686 N HN 0.818 nan 8.380 nan 0.000 0.540 2687 S N -2.133 113.561 115.700 -0.010 0.000 3.146 2687 S HA -0.237 4.234 4.470 0.000 0.000 0.285 2687 S C 0.329 174.920 174.600 -0.015 0.000 1.293 2687 S CA 1.130 59.323 58.200 -0.012 0.000 1.137 2687 S CB -0.925 62.269 63.200 -0.011 0.000 1.357 2687 S HN 0.567 nan 8.310 nan 0.000 0.678 2688 I N 2.631 123.195 120.570 -0.010 0.000 2.355 2688 I HA 0.299 4.469 4.170 0.000 0.000 0.288 2688 I C -2.192 173.926 176.117 0.001 0.000 0.999 2688 I CA -2.332 58.965 61.300 -0.004 0.000 1.163 2688 I CB 1.548 39.551 38.000 0.005 0.000 1.316 2688 I HN -0.134 nan 8.210 nan 0.000 0.454 2689 P HA 0.077 nan 4.420 nan 0.000 0.271 2689 P C -0.878 176.495 177.300 0.122 0.000 1.226 2689 P CA -0.162 62.945 63.100 0.012 0.000 0.765 2689 P CB 0.685 32.308 31.700 -0.128 0.000 0.835 2690 M N 3.777 123.426 119.600 0.083 0.000 2.151 2690 M HA 0.161 4.641 4.480 0.000 0.000 0.349 2690 M C 0.770 176.919 176.300 -0.252 0.000 1.284 2690 M CA -0.328 54.963 55.300 -0.014 0.000 1.173 2690 M CB -0.143 32.464 32.600 0.012 0.000 1.469 2690 M HN 0.415 nan 8.290 nan 0.000 0.439 2691 D N 1.921 122.107 120.400 -0.358 0.000 2.387 2691 D HA 0.278 4.918 4.640 0.000 0.000 0.251 2691 D C -0.344 175.571 176.300 -0.642 0.000 1.141 2691 D CA -0.397 53.095 54.000 -0.847 0.000 0.987 2691 D CB 1.252 41.523 40.800 -0.881 0.000 1.116 2691 D HN 0.500 nan 8.370 nan 0.000 0.491 2692 F N -0.976 118.824 119.950 -0.250 0.000 2.698 2692 F HA 0.307 4.834 4.527 0.000 0.000 0.304 2692 F C 2.110 177.805 175.800 -0.175 0.000 1.108 2692 F CA -0.740 57.170 58.000 -0.150 0.000 1.263 2692 F CB 0.574 39.505 39.000 -0.116 0.000 1.013 2692 F HN 0.450 nan 8.300 nan 0.000 0.532 2693 A N 1.015 123.751 122.820 -0.140 0.000 1.869 2693 A HA -0.207 4.113 4.320 0.000 0.000 0.218 2693 A C 1.266 178.837 177.584 -0.021 0.000 1.203 2693 A CA 1.720 53.676 52.037 -0.136 0.000 0.638 2693 A CB -0.512 18.369 19.000 -0.197 0.000 0.831 2693 A HN 0.539 nan 8.150 nan 0.000 0.450 2694 Q N -0.303 119.499 119.800 0.003 0.000 3.255 2694 Q HA 0.435 4.775 4.340 0.000 0.000 0.231 2694 Q C -3.001 173.049 176.000 0.083 0.000 0.935 2694 Q CA -1.904 53.928 55.803 0.049 0.000 0.714 2694 Q CB 1.019 29.784 28.738 0.045 0.000 1.345 2694 Q HN 0.373 nan 8.270 nan 0.000 0.463 2695 P HA 0.125 nan 4.420 nan 0.000 0.270 2695 P C 0.594 177.988 177.300 0.157 0.000 1.223 2695 P CA -0.265 62.934 63.100 0.164 0.000 0.785 2695 P CB 1.530 33.358 31.700 0.214 0.000 0.923 2696 I N -0.297 120.343 120.570 0.117 0.000 2.546 2696 I HA -0.045 4.125 4.170 0.000 0.000 0.255 2696 I C 1.291 177.473 176.117 0.109 0.000 1.163 2696 I CA 1.136 62.486 61.300 0.085 0.000 1.457 2696 I CB -0.205 37.816 38.000 0.035 0.000 1.092 2696 I HN 0.475 nan 8.210 nan 0.000 0.434 2697 A N 0.091 123.012 122.820 0.168 0.000 2.540 2697 A HA 0.707 5.028 4.320 0.000 0.000 0.291 2697 A C -1.468 176.232 177.584 0.193 0.000 1.083 2697 A CA -0.458 51.659 52.037 0.133 0.000 0.650 2697 A CB 1.244 20.371 19.000 0.212 0.000 1.292 2697 A HN 0.179 nan 8.150 nan 0.000 0.435 2698 F N -3.747 116.111 119.950 -0.152 0.000 2.878 2698 F HA 0.814 5.341 4.527 0.000 0.000 0.322 2698 F C -0.815 174.562 175.800 -0.705 0.000 1.154 2698 F CA -0.215 57.461 58.000 -0.539 0.000 0.896 2698 F CB 0.604 39.465 39.000 -0.232 0.000 1.313 2698 F HN 1.527 nan 8.300 nan 0.000 0.451 2699 K N 1.239 121.368 120.400 -0.452 0.000 2.606 2699 K HA 0.596 4.916 4.320 0.000 0.000 0.259 2699 K C -0.587 176.058 176.600 0.075 0.000 1.001 2699 K CA -0.452 55.710 56.287 -0.210 0.000 0.881 2699 K CB 0.143 32.452 32.500 -0.319 0.000 1.288 2699 K HN 1.270 nan 8.250 nan 0.000 0.452 2700 N N -0.670 118.138 118.700 0.180 0.000 2.756 2700 N HA -0.140 4.600 4.740 0.000 0.000 0.248 2700 N C -0.153 175.436 175.510 0.133 0.000 1.062 2700 N CA 0.970 54.114 53.050 0.157 0.000 0.696 2700 N CB -1.250 37.337 38.487 0.167 0.000 0.946 2700 N HN 1.511 nan 8.380 nan 0.000 0.548 2701 A N 0.413 123.231 122.820 -0.004 0.000 2.256 2701 A HA 0.414 4.734 4.320 0.000 0.000 0.317 2701 A C -0.106 177.253 177.584 -0.375 0.000 1.318 2701 A CA -0.565 51.284 52.037 -0.314 0.000 0.894 2701 A CB 0.649 19.447 19.000 -0.336 0.000 1.165 2701 A HN 0.089 nan 8.150 nan 0.000 0.525 2702 D N 3.110 123.285 120.400 -0.375 0.000 2.619 2702 D HA 0.225 4.865 4.640 0.000 0.000 0.224 2702 D C 0.290 176.425 176.300 -0.274 0.000 1.133 2702 D CA 0.324 54.167 54.000 -0.261 0.000 1.017 2702 D CB 0.005 40.700 40.800 -0.174 0.000 1.077 2702 D HN 0.512 nan 8.370 nan 0.000 0.503 2703 I N 0.269 120.662 120.570 -0.294 0.000 2.648 2703 I HA 0.190 4.360 4.170 0.000 0.000 0.284 2703 I C 1.651 177.734 176.117 -0.056 0.000 1.153 2703 I CA 0.368 61.552 61.300 -0.194 0.000 1.426 2703 I CB 0.923 38.805 38.000 -0.197 0.000 1.381 2703 I HN 0.489 nan 8.210 nan 0.000 0.571 2704 G N 4.697 113.524 108.800 0.046 0.000 2.231 2704 G HA2 -0.157 3.803 3.960 0.000 0.000 0.206 2704 G HA3 -0.157 3.803 3.960 0.000 0.000 0.206 2704 G C 0.059 174.995 174.900 0.060 0.000 0.996 2704 G CA -0.002 45.168 45.100 0.116 0.000 0.645 2704 G HN 0.780 nan 8.290 nan 0.000 0.498 2705 R N -1.077 119.425 120.500 0.003 0.000 2.765 2705 R HA 0.490 4.830 4.340 0.000 0.000 0.277 2705 R C -1.562 174.707 176.300 -0.052 0.000 1.028 2705 R CA -0.257 55.823 56.100 -0.033 0.000 0.860 2705 R CB -0.089 30.184 30.300 -0.045 0.000 1.270 2705 R HN 0.457 nan 8.270 nan 0.000 0.484 2706 c N 2.007 120.555 118.600 -0.085 0.000 2.176 2706 c HA 0.567 5.138 4.570 0.000 0.000 0.329 2706 c C 1.337 175.400 174.090 -0.045 0.000 1.113 2706 c CA 0.462 56.753 56.329 -0.064 0.000 1.562 2706 c CB -0.115 42.303 42.510 -0.153 0.000 2.040 2706 c HN 0.849 nan 8.230 nan 0.000 0.460 2707 T N 1.311 115.852 114.554 -0.021 0.000 4.456 2707 T HA 0.443 4.793 4.350 0.000 0.000 0.241 2707 T C 0.093 174.793 174.700 0.001 0.000 0.793 2707 T CA 1.226 63.317 62.100 -0.015 0.000 0.924 2707 T CB -0.625 68.235 68.868 -0.012 0.000 1.362 2707 T HN 1.143 nan 8.240 nan 0.000 0.754 2708 Y N 0.000 120.297 120.300 -0.006 0.000 2.660 2708 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 2708 Y CA 0.000 nan 58.100 nan 0.000 1.940 2708 Y CB 0.000 nan 38.460 nan 0.000 1.050 2708 Y HN 0.000 nan 8.280 nan 0.000 0.758