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 1mi1_1_A DATA FIRST_RESID 2140 DATA SEQUENCE GPVVLSTPAQ LIAPVVVAKG TLSITTTEIY FEVDEDDSAF KKIDTKVLAY DATA SEQUENCE TEGLHGKWXF SEIRAVFSRR YLLQNTALEV FXANRTSVXF NFPDQATVKK DATA SEQUENCE VVYSLPRVGV GTSYGLPQAR RISLATPRQL YKSSNXTQRW QRREISNFEY DATA SEQUENCE LXFLNTIAGR TYNDLNQYPV FPWVLTNYES EELDLTLPGN FRDLSKPIGA DATA SEQUENCE LNPKRAVFYA ERYETWEDDQ SPPYHYNTHY STATSTLSWL VRIEPFTTFF DATA SEQUENCE LNANDGKFDH PDRTFSSVAR SWRTSQRDTS DVKELIPEFY YLPEXFVNSN DATA SEQUENCE GYNLGVREDE VVVNDVDLPP WAKKPEDFVR INRXALESEF VSCQLHQWID DATA SEQUENCE LIFGYKQRGP EAVRALNVFH YLTYEGSVNL DSITDPVLRE AXEAQIQNFG DATA SEQUENCE QTPSQLLIEP HPPR 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 2140 G HA2 0.000 nan 3.960 nan 0.000 0.244 2140 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 2140 G C 0.000 174.860 174.900 -0.067 0.000 0.946 2140 G CA 0.000 45.063 45.100 -0.061 0.000 0.502 2141 P HA 0.362 nan 4.420 nan 0.000 0.259 2141 P C -0.160 177.116 177.300 -0.039 0.000 1.211 2141 P CA -0.118 62.959 63.100 -0.038 0.000 0.810 2141 P CB 0.905 32.589 31.700 -0.027 0.000 0.815 2142 V N 5.001 124.889 119.914 -0.042 0.000 2.229 2142 V HA -0.051 4.069 4.120 0.000 0.000 0.245 2142 V C 1.789 177.883 176.094 -0.000 0.000 1.243 2142 V CA 0.114 62.395 62.300 -0.032 0.000 1.176 2142 V CB 0.031 31.824 31.823 -0.049 0.000 1.323 2142 V HN 0.386 nan 8.190 nan 0.000 0.499 2143 V N 3.828 123.752 119.914 0.018 0.000 2.688 2143 V HA -0.083 4.037 4.120 0.000 0.000 0.256 2143 V C 0.647 176.769 176.094 0.046 0.000 1.084 2143 V CA 1.690 64.012 62.300 0.037 0.000 1.103 2143 V CB -0.549 31.311 31.823 0.061 0.000 0.688 2143 V HN 0.679 nan 8.190 nan 0.000 0.480 2144 L N -0.990 120.265 121.223 0.052 0.000 2.612 2144 L HA 0.603 4.943 4.340 0.000 0.000 0.256 2144 L C -1.145 175.758 176.870 0.054 0.000 0.949 2144 L CA -0.142 54.728 54.840 0.051 0.000 0.867 2144 L CB 2.239 44.334 42.059 0.061 0.000 1.417 2144 L HN -0.033 nan 8.230 nan 0.000 0.414 2145 S N 2.058 117.786 115.700 0.045 0.000 2.546 2145 S HA 0.850 5.320 4.470 0.000 0.000 0.272 2145 S C -1.214 173.422 174.600 0.059 0.000 1.140 2145 S CA 0.092 58.321 58.200 0.049 0.000 0.920 2145 S CB 2.081 65.295 63.200 0.023 0.000 1.083 2145 S HN 0.930 nan 8.310 nan 0.000 0.476 2146 T N 3.538 118.145 114.554 0.088 0.000 2.886 2146 T HA 0.623 4.973 4.350 0.000 0.000 0.330 2146 T C -3.234 171.545 174.700 0.132 0.000 1.488 2146 T CA -0.991 61.176 62.100 0.112 0.000 1.054 2146 T CB 1.512 70.472 68.868 0.154 0.000 1.348 2146 T HN 0.417 nan 8.240 nan 0.000 0.489 2147 P HA 0.577 nan 4.420 nan 0.000 0.271 2147 P C -1.215 176.170 177.300 0.140 0.000 1.218 2147 P CA -0.079 63.081 63.100 0.100 0.000 0.780 2147 P CB 0.789 32.537 31.700 0.079 0.000 0.901 2148 A N 2.234 125.130 122.820 0.126 0.000 2.567 2148 A HA 0.656 4.976 4.320 0.000 0.000 0.289 2148 A C -1.578 176.052 177.584 0.077 0.000 1.177 2148 A CA -0.413 51.637 52.037 0.023 0.000 0.694 2148 A CB 1.422 20.383 19.000 -0.065 0.000 1.292 2148 A HN 0.447 nan 8.150 nan 0.000 0.425 2149 Q N 0.277 120.017 119.800 -0.100 0.000 2.275 2149 Q HA 0.475 4.815 4.340 0.000 0.000 0.266 2149 Q C -1.796 174.047 176.000 -0.262 0.000 1.002 2149 Q CA -0.769 54.974 55.803 -0.100 0.000 0.761 2149 Q CB 1.892 30.519 28.738 -0.184 0.000 1.255 2149 Q HN 0.731 nan 8.270 nan 0.000 0.446 2150 L N 5.098 126.154 121.223 -0.278 0.000 2.418 2150 L HA 0.263 4.603 4.340 0.000 0.000 0.274 2150 L C -1.065 175.562 176.870 -0.404 0.000 1.135 2150 L CA 0.404 54.925 54.840 -0.532 0.000 0.870 2150 L CB 0.437 42.208 42.059 -0.481 0.000 1.154 2150 L HN 0.542 nan 8.230 nan 0.000 0.462 2151 I N 6.436 126.699 120.570 -0.511 0.000 2.337 2151 I HA 0.488 4.658 4.170 0.000 0.000 0.285 2151 I C 0.293 176.233 176.117 -0.295 0.000 1.041 2151 I CA -0.221 60.848 61.300 -0.385 0.000 1.199 2151 I CB 0.204 37.956 38.000 -0.413 0.000 1.370 2151 I HN 0.759 nan 8.210 nan 0.000 0.470 2152 A N 7.973 130.684 122.820 -0.181 0.000 2.384 2152 A HA 0.798 5.118 4.320 0.000 0.000 0.312 2152 A C -1.890 175.663 177.584 -0.052 0.000 1.113 2152 A CA -1.539 50.430 52.037 -0.113 0.000 0.779 2152 A CB 1.332 20.281 19.000 -0.086 0.000 1.307 2152 A HN 0.399 nan 8.150 nan 0.000 0.436 2153 P HA -0.242 nan 4.420 nan 0.000 0.222 2153 P C 0.978 178.223 177.300 -0.092 0.000 1.159 2153 P CA 3.017 66.147 63.100 0.050 0.000 0.920 2153 P CB 0.053 31.802 31.700 0.082 0.000 0.793 2154 V N -6.723 113.071 119.914 -0.199 0.000 3.253 2154 V HA 0.342 4.462 4.120 0.000 0.000 0.320 2154 V C 0.038 176.038 176.094 -0.157 0.000 1.442 2154 V CA -0.297 61.769 62.300 -0.391 0.000 1.097 2154 V CB 0.409 31.956 31.823 -0.459 0.000 1.008 2154 V HN -0.224 nan 8.190 nan 0.000 0.463 2155 V N -0.161 119.722 119.914 -0.052 0.000 2.888 2155 V HA 0.651 4.771 4.120 0.000 0.000 0.309 2155 V C -0.845 175.264 176.094 0.025 0.000 1.114 2155 V CA -0.533 61.794 62.300 0.046 0.000 0.940 2155 V CB 2.409 34.287 31.823 0.091 0.000 1.021 2155 V HN 0.058 nan 8.190 nan 0.000 0.426 2156 V N 2.972 122.926 119.914 0.068 0.000 2.482 2156 V HA 0.892 5.013 4.120 0.000 0.000 0.295 2156 V C -0.080 176.072 176.094 0.096 0.000 1.026 2156 V CA -0.300 62.011 62.300 0.018 0.000 0.856 2156 V CB 1.621 33.457 31.823 0.022 0.000 1.001 2156 V HN 1.090 nan 8.190 nan 0.000 0.424 2157 A N 4.720 127.598 122.820 0.097 0.000 2.422 2157 A HA 0.765 5.085 4.320 0.000 0.000 0.302 2157 A C -0.541 177.134 177.584 0.151 0.000 1.041 2157 A CA -0.892 51.244 52.037 0.164 0.000 0.708 2157 A CB 1.353 20.494 19.000 0.235 0.000 1.257 2157 A HN 0.750 nan 8.150 nan 0.000 0.414 2158 K N 1.214 121.673 120.400 0.098 0.000 2.379 2158 K HA 0.477 4.797 4.320 0.000 0.000 0.284 2158 K C 0.554 177.187 176.600 0.055 0.000 1.044 2158 K CA 0.560 56.901 56.287 0.089 0.000 0.974 2158 K CB 1.087 33.614 32.500 0.045 0.000 0.962 2158 K HN 0.838 nan 8.250 nan 0.000 0.474 2159 G N 0.759 109.641 108.800 0.136 0.000 2.911 2159 G HA2 0.422 4.382 3.960 0.000 0.000 0.299 2159 G HA3 0.422 4.382 3.960 0.000 0.000 0.299 2159 G C -1.258 173.558 174.900 -0.140 0.000 1.283 2159 G CA -0.483 44.478 45.100 -0.232 0.000 0.805 2159 G HN 0.363 nan 8.290 nan 0.000 0.548 2160 T N 0.958 115.297 114.554 -0.358 0.000 2.930 2160 T HA 0.425 4.775 4.350 0.000 0.000 0.313 2160 T C -0.701 173.981 174.700 -0.030 0.000 1.019 2160 T CA -0.194 61.841 62.100 -0.109 0.000 1.004 2160 T CB 1.225 70.027 68.868 -0.110 0.000 0.987 2160 T HN 0.431 nan 8.240 nan 0.000 0.456 2161 L N 3.929 125.234 121.223 0.135 0.000 2.417 2161 L HA 0.669 5.009 4.340 0.000 0.000 0.268 2161 L C 0.040 176.979 176.870 0.115 0.000 1.158 2161 L CA 0.488 55.416 54.840 0.146 0.000 0.819 2161 L CB 0.803 42.893 42.059 0.051 0.000 1.112 2161 L HN 0.726 nan 8.230 nan 0.000 0.458 2162 S N 4.489 120.280 115.700 0.151 0.000 2.614 2162 S HA 0.667 5.137 4.470 0.000 0.000 0.275 2162 S C -0.824 173.910 174.600 0.223 0.000 1.161 2162 S CA -0.747 57.533 58.200 0.133 0.000 0.969 2162 S CB 0.799 64.034 63.200 0.058 0.000 1.059 2162 S HN 0.442 nan 8.310 nan 0.000 0.482 2163 I N 2.713 123.393 120.570 0.183 0.000 2.382 2163 I HA 0.408 4.578 4.170 0.000 0.000 0.286 2163 I C 0.756 176.970 176.117 0.163 0.000 1.002 2163 I CA -0.415 61.036 61.300 0.251 0.000 1.135 2163 I CB 1.965 40.122 38.000 0.262 0.000 1.288 2163 I HN 0.786 nan 8.210 nan 0.000 0.448 2164 T N 2.351 116.982 114.554 0.128 0.000 3.057 2164 T HA 0.183 4.533 4.350 0.000 0.000 0.312 2164 T C 1.152 175.765 174.700 -0.145 0.000 1.227 2164 T CA 0.124 62.219 62.100 -0.008 0.000 0.929 2164 T CB 0.807 69.674 68.868 -0.001 0.000 1.986 2164 T HN 0.641 nan 8.240 nan 0.000 0.579 2165 T N 0.450 114.874 114.554 -0.217 0.000 3.086 2165 T HA 0.163 4.514 4.350 0.000 0.000 0.250 2165 T C 1.222 175.569 174.700 -0.589 0.000 1.074 2165 T CA 0.842 62.785 62.100 -0.262 0.000 0.988 2165 T CB -0.084 68.718 68.868 -0.110 0.000 0.988 2165 T HN 0.791 nan 8.240 nan 0.000 0.530 2166 T N -1.822 112.224 114.554 -0.846 0.000 3.191 2166 T HA 0.335 4.685 4.350 0.000 0.000 0.285 2166 T C -0.092 174.127 174.700 -0.802 0.000 0.887 2166 T CA -0.433 61.142 62.100 -0.874 0.000 0.881 2166 T CB 0.719 69.428 68.868 -0.264 0.000 1.217 2166 T HN 0.255 nan 8.240 nan 0.000 0.591 2167 E N 0.425 120.262 120.200 -0.606 0.000 2.449 2167 E HA 0.749 5.099 4.350 0.000 0.000 0.278 2167 E C -1.539 175.277 176.600 0.359 0.000 0.992 2167 E CA -0.925 55.503 56.400 0.046 0.000 0.807 2167 E CB 2.164 31.830 29.700 -0.056 0.000 1.350 2167 E HN 0.225 nan 8.360 nan 0.000 0.462 2168 I N 1.456 122.245 120.570 0.365 0.000 2.465 2168 I HA 0.439 4.609 4.170 0.000 0.000 0.291 2168 I C -1.244 175.068 176.117 0.325 0.000 1.014 2168 I CA -0.838 60.722 61.300 0.434 0.000 1.093 2168 I CB 0.861 39.091 38.000 0.383 0.000 1.267 2168 I HN 0.400 nan 8.210 nan 0.000 0.431 2169 Y N 5.190 125.671 120.300 0.301 0.000 2.524 2169 Y HA 0.628 5.178 4.550 0.000 0.000 0.344 2169 Y C -0.753 175.332 175.900 0.307 0.000 1.012 2169 Y CA -1.023 57.244 58.100 0.279 0.000 1.068 2169 Y CB 2.138 40.684 38.460 0.145 0.000 1.249 2169 Y HN 0.379 nan 8.280 nan 0.000 0.468 2170 F N 2.148 122.286 119.950 0.313 0.000 2.588 2170 F HA 0.544 5.071 4.527 0.000 0.000 0.318 2170 F C -1.437 174.451 175.800 0.146 0.000 1.155 2170 F CA -0.662 57.457 58.000 0.199 0.000 0.967 2170 F CB 1.426 40.613 39.000 0.311 0.000 1.236 2170 F HN 0.415 nan 8.300 nan 0.000 0.455 2171 E N 5.135 124.871 120.200 -0.774 0.000 2.234 2171 E HA 0.437 4.787 4.350 0.000 0.000 0.266 2171 E C -0.886 175.177 176.600 -0.894 0.000 0.877 2171 E CA -0.700 55.365 56.400 -0.559 0.000 0.758 2171 E CB 2.593 32.181 29.700 -0.186 0.000 1.170 2171 E HN 0.408 nan 8.360 nan 0.000 0.415 2172 V N 1.317 120.780 119.914 -0.752 0.000 3.133 2172 V HA 0.047 4.167 4.120 0.000 0.000 0.305 2172 V C 0.834 176.627 176.094 -0.501 0.000 1.084 2172 V CA -0.350 61.552 62.300 -0.663 0.000 1.089 2172 V CB 0.822 32.178 31.823 -0.779 0.000 1.073 2172 V HN 0.617 nan 8.190 nan 0.000 0.477 2173 D N 1.354 121.478 120.400 -0.460 0.000 2.563 2173 D HA 0.119 4.759 4.640 0.000 0.000 0.222 2173 D C 1.011 177.128 176.300 -0.304 0.000 1.145 2173 D CA -0.154 53.680 54.000 -0.276 0.000 1.001 2173 D CB 0.459 41.162 40.800 -0.161 0.000 1.049 2173 D HN 0.650 nan 8.370 nan 0.000 0.515 2174 E N 0.718 120.766 120.200 -0.253 0.000 2.393 2174 E HA -0.170 4.180 4.350 0.000 0.000 0.201 2174 E C 0.682 177.370 176.600 0.147 0.000 1.025 2174 E CA 0.814 57.201 56.400 -0.022 0.000 0.856 2174 E CB 0.362 30.127 29.700 0.108 0.000 0.771 2174 E HN 0.471 nan 8.360 nan 0.000 0.526 2175 D N 0.618 121.051 120.400 0.055 0.000 2.346 2175 D HA -0.069 4.571 4.640 0.000 0.000 0.206 2175 D C 0.390 176.745 176.300 0.093 0.000 1.001 2175 D CA 0.242 54.287 54.000 0.075 0.000 0.871 2175 D CB -0.110 40.710 40.800 0.034 0.000 0.943 2175 D HN 0.081 nan 8.370 nan 0.000 0.518 2176 D N 1.319 121.773 120.400 0.090 0.000 2.531 2176 D HA -0.089 4.551 4.640 0.000 0.000 0.239 2176 D C 1.538 177.932 176.300 0.157 0.000 1.144 2176 D CA 0.192 54.258 54.000 0.109 0.000 0.869 2176 D CB 1.089 41.950 40.800 0.102 0.000 1.160 2176 D HN -0.023 nan 8.370 nan 0.000 0.484 2177 S N 4.096 119.858 115.700 0.103 0.000 2.359 2177 S HA -0.281 4.189 4.470 0.000 0.000 0.222 2177 S C 2.103 176.759 174.600 0.092 0.000 1.038 2177 S CA 1.461 59.711 58.200 0.083 0.000 1.051 2177 S CB -0.827 62.406 63.200 0.056 0.000 0.944 2177 S HN 0.599 nan 8.310 nan 0.000 0.433 2178 A N 1.084 123.965 122.820 0.102 0.000 1.917 2178 A HA -0.038 4.282 4.320 0.000 0.000 0.219 2178 A C 2.063 179.723 177.584 0.127 0.000 1.182 2178 A CA 1.810 53.907 52.037 0.099 0.000 0.633 2178 A CB -1.248 17.817 19.000 0.108 0.000 0.819 2178 A HN 0.659 nan 8.150 nan 0.000 0.448 2179 F N 0.654 120.626 119.950 0.037 0.000 2.216 2179 F HA -0.108 4.420 4.527 0.000 0.000 0.300 2179 F C 2.046 177.867 175.800 0.036 0.000 1.085 2179 F CA 1.871 59.896 58.000 0.042 0.000 1.326 2179 F CB -0.135 38.891 39.000 0.042 0.000 1.027 2179 F HN 0.161 nan 8.300 nan 0.000 0.497 2180 K N 0.455 120.869 120.400 0.024 0.000 2.026 2180 K HA -0.163 4.157 4.320 0.000 0.000 0.208 2180 K C 1.651 178.172 176.600 -0.131 0.000 1.048 2180 K CA 1.749 57.998 56.287 -0.063 0.000 0.929 2180 K CB -0.249 32.270 32.500 0.032 0.000 0.713 2180 K HN 0.241 nan 8.250 nan 0.000 0.439 2181 K N 0.891 121.242 120.400 -0.082 0.000 2.616 2181 K HA 0.014 4.334 4.320 0.000 0.000 0.192 2181 K C 0.195 176.724 176.600 -0.119 0.000 1.031 2181 K CA 0.387 56.625 56.287 -0.083 0.000 1.004 2181 K CB -0.231 32.241 32.500 -0.047 0.000 0.810 2181 K HN 0.169 nan 8.250 nan 0.000 0.497 2182 I N 2.084 122.536 120.570 -0.197 0.000 2.371 2182 I HA -0.009 4.161 4.170 0.000 0.000 0.290 2182 I C 0.386 176.399 176.117 -0.174 0.000 1.028 2182 I CA -0.766 60.419 61.300 -0.191 0.000 1.345 2182 I CB 0.560 38.386 38.000 -0.290 0.000 1.407 2182 I HN 0.045 nan 8.210 nan 0.000 0.501 2183 D N 4.950 125.287 120.400 -0.105 0.000 2.487 2183 D HA -0.045 4.595 4.640 0.000 0.000 0.243 2183 D C 1.155 177.421 176.300 -0.056 0.000 1.154 2183 D CA 0.391 54.344 54.000 -0.077 0.000 0.876 2183 D CB 1.223 41.986 40.800 -0.060 0.000 1.161 2183 D HN 0.553 nan 8.370 nan 0.000 0.478 2184 T N 3.959 118.483 114.554 -0.050 0.000 2.699 2184 T HA -0.215 4.135 4.350 0.000 0.000 0.268 2184 T C 1.759 176.475 174.700 0.026 0.000 1.036 2184 T CA 1.393 63.480 62.100 -0.021 0.000 1.147 2184 T CB -0.044 68.816 68.868 -0.014 0.000 0.862 2184 T HN 0.498 nan 8.240 nan 0.000 0.446 2185 K N 0.641 121.065 120.400 0.040 0.000 2.032 2185 K HA -0.121 4.199 4.320 0.000 0.000 0.209 2185 K C 2.201 178.910 176.600 0.181 0.000 1.048 2185 K CA 1.273 57.623 56.287 0.106 0.000 0.927 2185 K CB -0.308 32.244 32.500 0.087 0.000 0.712 2185 K HN 0.179 nan 8.250 nan 0.000 0.441 2186 V N 1.832 121.811 119.914 0.109 0.000 2.295 2186 V HA -0.264 3.856 4.120 0.000 0.000 0.246 2186 V C 2.330 178.505 176.094 0.135 0.000 1.049 2186 V CA 1.654 64.025 62.300 0.117 0.000 1.024 2186 V CB -0.423 31.457 31.823 0.095 0.000 0.648 2186 V HN 0.349 nan 8.190 nan 0.000 0.447 2187 L N 0.147 121.421 121.223 0.084 0.000 2.187 2187 L HA -0.181 4.159 4.340 0.000 0.000 0.213 2187 L C 2.639 179.569 176.870 0.100 0.000 1.100 2187 L CA 1.359 56.253 54.840 0.091 0.000 0.765 2187 L CB -0.752 41.341 42.059 0.056 0.000 0.904 2187 L HN 0.402 nan 8.230 nan 0.000 0.437 2188 A N -0.955 121.919 122.820 0.089 0.000 1.969 2188 A HA -0.186 4.134 4.320 0.000 0.000 0.218 2188 A C 1.843 179.386 177.584 -0.069 0.000 1.169 2188 A CA 1.147 53.184 52.037 0.000 0.000 0.635 2188 A CB -0.534 18.435 19.000 -0.052 0.000 0.810 2188 A HN 0.389 nan 8.150 nan 0.000 0.445 2189 Y N 0.529 120.824 120.300 -0.009 0.000 2.517 2189 Y HA 0.057 4.607 4.550 0.000 0.000 0.281 2189 Y C 0.699 176.585 175.900 -0.023 0.000 1.125 2189 Y CA 0.781 58.864 58.100 -0.029 0.000 1.283 2189 Y CB -0.097 38.316 38.460 -0.078 0.000 1.042 2189 Y HN 0.065 nan 8.280 nan 0.000 0.547 2190 T N 2.300 116.931 114.554 0.128 0.000 2.737 2190 T HA 0.238 4.588 4.350 0.000 0.000 0.296 2190 T C -0.197 174.556 174.700 0.089 0.000 0.922 2190 T CA -0.583 61.572 62.100 0.092 0.000 1.079 2190 T CB 0.459 69.387 68.868 0.100 0.000 0.892 2190 T HN 0.087 nan 8.240 nan 0.000 0.514 2191 E N 1.169 121.419 120.200 0.084 0.000 2.250 2191 E HA 0.687 5.037 4.350 0.000 0.000 0.265 2191 E C 1.310 178.002 176.600 0.153 0.000 1.033 2191 E CA -0.539 55.917 56.400 0.092 0.000 0.888 2191 E CB 0.706 30.450 29.700 0.074 0.000 1.151 2191 E HN 0.614 nan 8.360 nan 0.000 0.412 2192 G N -0.040 108.867 108.800 0.178 0.000 2.279 2192 G HA2 -0.316 3.644 3.960 0.000 0.000 0.223 2192 G HA3 -0.316 3.644 3.960 0.000 0.000 0.223 2192 G C 0.989 176.126 174.900 0.395 0.000 1.015 2192 G CA 0.132 45.449 45.100 0.362 0.000 0.621 2192 G HN 0.428 nan 8.290 nan 0.000 0.506 2193 L N 0.117 121.493 121.223 0.255 0.000 2.197 2193 L HA -0.081 4.260 4.340 0.000 0.000 0.215 2193 L C 1.662 178.417 176.870 -0.191 0.000 1.095 2193 L CA 1.702 56.626 54.840 0.139 0.000 0.764 2193 L CB -0.307 41.764 42.059 0.021 0.000 0.897 2193 L HN 0.452 nan 8.230 nan 0.000 0.436 2194 H N -1.540 117.660 119.070 0.218 0.000 2.885 2194 H HA 0.263 4.819 4.556 0.000 0.000 0.237 2194 H C 0.683 176.065 175.328 0.091 0.000 1.229 2194 H CA 0.071 56.194 56.048 0.124 0.000 0.947 2194 H CB 0.210 30.008 29.762 0.060 0.000 2.223 2194 H HN 0.150 nan 8.280 nan 0.000 0.628 2195 G N 0.798 109.716 108.800 0.197 0.000 2.634 2195 G HA2 0.310 4.270 3.960 0.000 0.000 0.255 2195 G HA3 0.310 4.270 3.960 0.000 0.000 0.255 2195 G C -0.259 174.516 174.900 -0.209 0.000 1.205 2195 G CA -0.369 44.657 45.100 -0.124 0.000 0.884 2195 G HN 0.192 nan 8.290 nan 0.000 0.549 2196 K N 0.065 120.079 120.400 -0.644 0.000 2.535 2196 K HA 0.428 4.748 4.320 0.000 0.000 0.250 2196 K C -1.574 174.630 176.600 -0.660 0.000 0.948 2196 K CA -0.878 55.049 56.287 -0.599 0.000 0.796 2196 K CB 1.451 33.649 32.500 -0.504 0.000 1.216 2196 K HN 0.531 nan 8.250 nan 0.000 0.432 2200 S N -0.176 115.679 115.700 0.257 0.000 2.423 2200 S HA -0.105 4.365 4.470 0.000 0.000 0.231 2200 S C 1.583 176.256 174.600 0.122 0.000 1.014 2200 S CA 1.632 59.924 58.200 0.153 0.000 0.965 2200 S CB -0.111 63.160 63.200 0.119 0.000 0.785 2200 S HN 0.240 nan 8.310 nan 0.000 0.495 2201 E N 0.736 121.023 120.200 0.145 0.000 2.285 2201 E HA 0.201 4.551 4.350 0.000 0.000 0.194 2201 E C 0.302 176.978 176.600 0.127 0.000 0.997 2201 E CA -0.053 56.428 56.400 0.136 0.000 0.845 2201 E CB -0.146 29.654 29.700 0.167 0.000 0.782 2201 E HN 0.485 nan 8.360 nan 0.000 0.491 2202 I N 1.094 121.727 120.570 0.104 0.000 2.710 2202 I HA -0.042 4.128 4.170 0.000 0.000 0.286 2202 I C 1.367 177.515 176.117 0.051 0.000 1.181 2202 I CA 0.656 61.989 61.300 0.055 0.000 1.430 2202 I CB 0.646 38.615 38.000 -0.053 0.000 1.367 2202 I HN 0.085 nan 8.210 nan 0.000 0.577 2203 R N 3.353 123.899 120.500 0.077 0.000 2.573 2203 R HA 0.472 4.812 4.340 0.000 0.000 0.224 2203 R C -0.277 176.053 176.300 0.050 0.000 0.904 2203 R CA 0.145 56.282 56.100 0.061 0.000 0.995 2203 R CB 1.008 31.358 30.300 0.084 0.000 1.430 2203 R HN 0.729 nan 8.270 nan 0.000 0.631 2204 A N 0.353 123.247 122.820 0.123 0.000 2.589 2204 A HA 0.626 4.946 4.320 0.000 0.000 0.296 2204 A C -1.488 176.224 177.584 0.213 0.000 1.062 2204 A CA -0.450 51.655 52.037 0.113 0.000 0.686 2204 A CB 1.946 21.033 19.000 0.145 0.000 1.282 2204 A HN -0.113 nan 8.150 nan 0.000 0.404 2205 V N 1.825 121.779 119.914 0.067 0.000 2.482 2205 V HA 0.542 4.662 4.120 0.000 0.000 0.295 2205 V C -1.346 174.783 176.094 0.059 0.000 1.026 2205 V CA -0.194 62.170 62.300 0.108 0.000 0.856 2205 V CB 1.005 32.817 31.823 -0.018 0.000 1.001 2205 V HN 0.714 nan 8.190 nan 0.000 0.424 2206 F N 1.654 121.699 119.950 0.158 0.000 2.450 2206 F HA 0.532 5.059 4.527 0.000 0.000 0.332 2206 F C 0.948 176.812 175.800 0.106 0.000 1.093 2206 F CA -0.297 57.791 58.000 0.146 0.000 1.003 2206 F CB 2.102 41.239 39.000 0.228 0.000 1.151 2206 F HN 0.342 nan 8.300 nan 0.000 0.474 2207 S N 3.747 119.611 115.700 0.273 0.000 2.523 2207 S HA 0.527 4.997 4.470 0.000 0.000 0.275 2207 S C -0.121 174.600 174.600 0.203 0.000 1.281 2207 S CA -0.646 57.667 58.200 0.189 0.000 1.050 2207 S CB 0.333 63.611 63.200 0.130 0.000 0.937 2207 S HN 0.351 nan 8.310 nan 0.000 0.492 2208 R N 2.007 122.609 120.500 0.169 0.000 2.795 2208 R HA 0.511 4.851 4.340 0.000 0.000 0.275 2208 R C -0.972 175.403 176.300 0.126 0.000 0.981 2208 R CA -0.893 55.287 56.100 0.133 0.000 0.917 2208 R CB 1.636 32.000 30.300 0.107 0.000 1.202 2208 R HN 0.532 nan 8.270 nan 0.000 0.469 2209 R N 0.937 121.499 120.500 0.103 0.000 2.445 2209 R HA 0.317 4.657 4.340 0.000 0.000 0.308 2209 R C -0.976 175.404 176.300 0.133 0.000 0.961 2209 R CA -0.629 55.533 56.100 0.103 0.000 0.862 2209 R CB 1.091 31.424 30.300 0.055 0.000 1.144 2209 R HN 0.459 nan 8.270 nan 0.000 0.447 2210 Y N 4.035 124.338 120.300 0.005 0.000 2.342 2210 Y HA 0.314 4.864 4.550 0.000 0.000 0.338 2210 Y C 0.066 175.953 175.900 -0.022 0.000 0.965 2210 Y CA -1.312 56.778 58.100 -0.017 0.000 1.159 2210 Y CB 0.559 39.009 38.460 -0.017 0.000 1.157 2210 Y HN 0.647 nan 8.280 nan 0.000 0.486 2211 L N 8.303 129.224 121.223 -0.503 0.000 3.601 2211 L HA -0.368 3.972 4.340 0.000 0.000 0.469 2211 L C 0.517 177.259 176.870 -0.213 0.000 1.294 2211 L CA 0.702 55.274 54.840 -0.447 0.000 0.829 2211 L CB -1.385 40.308 42.059 -0.610 0.000 1.628 2211 L HN 0.961 nan 8.230 nan 0.000 0.868 2212 L N -3.520 117.621 121.223 -0.137 0.000 5.174 2212 L HA -0.279 4.061 4.340 0.000 0.000 0.420 2212 L C 0.775 177.635 176.870 -0.017 0.000 0.973 2212 L CA 1.157 55.956 54.840 -0.069 0.000 1.381 2212 L CB -0.892 41.122 42.059 -0.074 0.000 1.819 2212 L HN 0.561 nan 8.230 nan 0.000 0.645 2213 Q N 1.036 120.835 119.800 -0.002 0.000 2.331 2213 Q HA 0.268 4.608 4.340 0.000 0.000 0.257 2213 Q C 0.204 176.253 176.000 0.081 0.000 0.957 2213 Q CA -0.149 55.681 55.803 0.045 0.000 0.923 2213 Q CB 1.015 29.790 28.738 0.061 0.000 1.212 2213 Q HN 0.096 nan 8.270 nan 0.000 0.443 2214 N N 2.176 120.922 118.700 0.078 0.000 2.670 2214 N HA -0.042 4.698 4.740 0.000 0.000 0.296 2214 N C -0.217 175.363 175.510 0.117 0.000 1.216 2214 N CA 0.257 53.363 53.050 0.093 0.000 1.123 2214 N CB -0.027 38.507 38.487 0.078 0.000 1.459 2214 N HN 0.561 nan 8.380 nan 0.000 0.509 2215 T N -1.782 112.864 114.554 0.153 0.000 3.328 2215 T HA 0.515 4.865 4.350 0.000 0.000 0.305 2215 T C 0.175 175.044 174.700 0.283 0.000 0.939 2215 T CA -0.354 61.864 62.100 0.196 0.000 0.950 2215 T CB -0.028 68.951 68.868 0.185 0.000 1.182 2215 T HN 0.275 nan 8.240 nan 0.000 0.545 2216 A N 1.037 124.001 122.820 0.240 0.000 2.354 2216 A HA 0.934 5.254 4.320 0.000 0.000 0.321 2216 A C -1.344 176.395 177.584 0.258 0.000 1.125 2216 A CA -0.830 51.349 52.037 0.237 0.000 0.799 2216 A CB 1.565 20.634 19.000 0.114 0.000 1.293 2216 A HN 0.354 nan 8.150 nan 0.000 0.452 2217 L N 0.004 121.399 121.223 0.287 0.000 2.388 2217 L HA 0.674 5.014 4.340 0.000 0.000 0.264 2217 L C -0.520 176.420 176.870 0.116 0.000 0.998 2217 L CA -0.129 54.866 54.840 0.259 0.000 0.817 2217 L CB 2.169 44.463 42.059 0.391 0.000 1.338 2217 L HN 0.842 nan 8.230 nan 0.000 0.414 2218 E N 2.843 123.100 120.200 0.095 0.000 2.255 2218 E HA 0.557 4.907 4.350 0.000 0.000 0.256 2218 E C -1.901 174.669 176.600 -0.050 0.000 0.887 2218 E CA -0.635 55.715 56.400 -0.084 0.000 0.782 2218 E CB 1.647 31.277 29.700 -0.116 0.000 1.214 2218 E HN 0.423 nan 8.360 nan 0.000 0.417 2219 V N 5.162 124.949 119.914 -0.212 0.000 2.439 2219 V HA 0.443 4.563 4.120 0.000 0.000 0.282 2219 V C -0.233 175.690 176.094 -0.285 0.000 1.039 2219 V CA -0.371 61.855 62.300 -0.124 0.000 0.913 2219 V CB 0.441 32.169 31.823 -0.159 0.000 0.983 2219 V HN 0.566 nan 8.190 nan 0.000 0.460 2223 N N 0.803 119.565 118.700 0.104 0.000 2.466 2223 N HA 0.088 4.828 4.740 0.000 0.000 0.211 2223 N C 0.653 176.223 175.510 0.100 0.000 1.256 2223 N CA 0.575 53.678 53.050 0.089 0.000 0.840 2223 N CB -0.086 38.450 38.487 0.082 0.000 1.079 2223 N HN 0.338 nan 8.380 nan 0.000 0.466 2224 R N -2.630 117.943 120.500 0.122 0.000 4.016 2224 R HA -0.181 4.159 4.340 0.000 0.000 0.385 2224 R C 0.134 176.537 176.300 0.173 0.000 1.158 2224 R CA 1.298 57.484 56.100 0.144 0.000 1.117 2224 R CB -3.110 27.248 30.300 0.098 0.000 1.635 2224 R HN 0.570 nan 8.270 nan 0.000 0.560 2225 T N 0.010 114.658 114.554 0.157 0.000 2.810 2225 T HA 0.565 4.915 4.350 0.000 0.000 0.277 2225 T C 0.128 174.877 174.700 0.081 0.000 0.973 2225 T CA 0.441 62.620 62.100 0.131 0.000 0.949 2225 T CB 1.092 70.046 68.868 0.142 0.000 1.075 2225 T HN 0.407 nan 8.240 nan 0.000 0.537 2226 S N 0.425 116.092 115.700 -0.055 0.000 2.550 2226 S HA 0.704 5.175 4.470 0.000 0.000 0.270 2226 S C -1.086 173.285 174.600 -0.382 0.000 1.145 2226 S CA -0.703 57.274 58.200 -0.370 0.000 0.852 2226 S CB 1.389 64.060 63.200 -0.882 0.000 1.119 2226 S HN 0.728 nan 8.310 nan 0.000 0.465 2230 N N 1.487 119.876 118.700 -0.518 0.000 2.372 2230 N HA 0.684 5.424 4.740 0.000 0.000 0.285 2230 N C -1.492 173.772 175.510 -0.411 0.000 1.008 2230 N CA -0.366 52.468 53.050 -0.360 0.000 0.880 2230 N CB 0.911 39.193 38.487 -0.342 0.000 1.239 2230 N HN 0.381 nan 8.380 nan 0.000 0.484 2231 F N 2.997 122.978 119.950 0.051 0.000 2.461 2231 F HA 0.508 5.035 4.527 0.000 0.000 0.332 2231 F C -1.058 174.778 175.800 0.061 0.000 1.073 2231 F CA -1.964 56.070 58.000 0.056 0.000 1.017 2231 F CB 0.488 39.519 39.000 0.051 0.000 1.301 2231 F HN 0.425 nan 8.300 nan 0.000 0.492 2232 P HA -0.053 nan 4.420 nan 0.000 0.217 2232 P C -0.907 176.479 177.300 0.142 0.000 1.151 2232 P CA 1.416 64.614 63.100 0.162 0.000 0.828 2232 P CB 0.130 31.910 31.700 0.133 0.000 0.788 2233 D N -3.040 117.447 120.400 0.146 0.000 2.661 2233 D HA 0.049 4.689 4.640 0.000 0.000 0.228 2233 D C 0.129 176.483 176.300 0.089 0.000 1.210 2233 D CA -0.647 53.414 54.000 0.103 0.000 0.826 2233 D CB 1.058 41.900 40.800 0.070 0.000 1.542 2233 D HN -0.257 nan 8.370 nan 0.000 0.447 2234 Q N 0.639 120.484 119.800 0.075 0.000 2.234 2234 Q HA -0.162 4.178 4.340 0.000 0.000 0.206 2234 Q C 1.892 177.905 176.000 0.021 0.000 0.980 2234 Q CA 1.780 57.617 55.803 0.058 0.000 0.869 2234 Q CB -0.307 28.465 28.738 0.057 0.000 0.912 2234 Q HN 0.686 nan 8.270 nan 0.000 0.436 2235 A N -0.357 122.474 122.820 0.019 0.000 1.877 2235 A HA -0.166 4.154 4.320 0.000 0.000 0.216 2235 A C 2.277 179.840 177.584 -0.034 0.000 1.186 2235 A CA 2.033 54.069 52.037 -0.002 0.000 0.620 2235 A CB -0.798 18.206 19.000 0.006 0.000 0.822 2235 A HN 0.441 nan 8.150 nan 0.000 0.443 2236 T N -0.272 114.255 114.554 -0.045 0.000 2.777 2236 T HA -0.106 4.244 4.350 0.000 0.000 0.266 2236 T C 1.885 176.402 174.700 -0.304 0.000 1.040 2236 T CA 1.393 63.416 62.100 -0.127 0.000 1.141 2236 T CB -0.553 68.273 68.868 -0.070 0.000 0.868 2236 T HN 0.145 nan 8.240 nan 0.000 0.444 2237 V N 1.835 121.565 119.914 -0.307 0.000 2.231 2237 V HA -0.307 3.813 4.120 0.000 0.000 0.250 2237 V C 2.538 178.515 176.094 -0.194 0.000 1.058 2237 V CA 2.115 64.200 62.300 -0.360 0.000 1.022 2237 V CB -0.619 31.151 31.823 -0.088 0.000 0.640 2237 V HN 0.463 nan 8.190 nan 0.000 0.445 2238 K N -0.168 120.197 120.400 -0.059 0.000 2.074 2238 K HA -0.277 4.043 4.320 0.000 0.000 0.209 2238 K C 2.218 178.876 176.600 0.095 0.000 1.048 2238 K CA 1.981 58.305 56.287 0.062 0.000 0.926 2238 K CB -0.161 32.370 32.500 0.051 0.000 0.713 2238 K HN 0.472 nan 8.250 nan 0.000 0.444 2239 K N 0.016 120.408 120.400 -0.014 0.000 2.002 2239 K HA -0.131 4.189 4.320 0.000 0.000 0.209 2239 K C 2.069 178.668 176.600 -0.002 0.000 1.048 2239 K CA 1.655 57.943 56.287 0.001 0.000 0.930 2239 K CB -0.215 32.260 32.500 -0.042 0.000 0.714 2239 K HN -0.027 nan 8.250 nan 0.000 0.438 2240 V N 1.335 121.170 119.914 -0.131 0.000 2.252 2240 V HA -0.265 3.855 4.120 0.000 0.000 0.249 2240 V C 2.334 178.378 176.094 -0.083 0.000 1.056 2240 V CA 1.764 63.972 62.300 -0.153 0.000 1.022 2240 V CB -0.463 31.123 31.823 -0.395 0.000 0.641 2240 V HN 0.112 nan 8.190 nan 0.000 0.445 2241 V N -1.403 118.462 119.914 -0.082 0.000 2.332 2241 V HA -0.302 3.818 4.120 0.000 0.000 0.248 2241 V C 2.143 178.136 176.094 -0.168 0.000 1.055 2241 V CA 2.158 64.391 62.300 -0.111 0.000 1.038 2241 V CB -0.851 30.913 31.823 -0.098 0.000 0.651 2241 V HN 0.566 nan 8.190 nan 0.000 0.450 2242 Y N 0.655 120.924 120.300 -0.053 0.000 2.561 2242 Y HA -0.047 4.503 4.550 0.000 0.000 0.291 2242 Y C 2.489 178.387 175.900 -0.003 0.000 1.141 2242 Y CA 1.019 59.103 58.100 -0.027 0.000 1.303 2242 Y CB -0.067 38.380 38.460 -0.021 0.000 1.015 2242 Y HN 0.406 nan 8.280 nan 0.000 0.547 2243 S N -1.534 114.223 115.700 0.096 0.000 2.557 2243 S HA 0.225 4.695 4.470 0.000 0.000 0.223 2243 S C 0.023 174.692 174.600 0.114 0.000 0.969 2243 S CA -0.165 58.110 58.200 0.125 0.000 0.927 2243 S CB -0.121 63.156 63.200 0.127 0.000 0.806 2243 S HN 0.012 nan 8.310 nan 0.000 0.489 2244 L N 1.703 122.889 121.223 -0.062 0.000 2.313 2244 L HA 0.702 5.042 4.340 0.000 0.000 0.268 2244 L C -2.422 174.277 176.870 -0.286 0.000 1.010 2244 L CA -2.179 52.469 54.840 -0.319 0.000 0.814 2244 L CB 0.775 42.644 42.059 -0.316 0.000 1.304 2244 L HN -0.067 nan 8.230 nan 0.000 0.441 2245 P HA 0.059 nan 4.420 nan 0.000 0.270 2245 P C -0.539 176.665 177.300 -0.160 0.000 1.221 2245 P CA -0.059 62.925 63.100 -0.194 0.000 0.788 2245 P CB 0.333 31.914 31.700 -0.197 0.000 0.904 2246 R N 1.530 121.968 120.500 -0.103 0.000 3.782 2246 R HA 0.081 4.421 4.340 0.000 0.000 0.291 2246 R C 0.987 177.227 176.300 -0.100 0.000 1.539 2246 R CA -0.032 55.998 56.100 -0.117 0.000 1.345 2246 R CB -0.785 29.462 30.300 -0.088 0.000 1.408 2246 R HN 0.344 nan 8.270 nan 0.000 0.654 2247 V N -1.967 117.884 119.914 -0.104 0.000 2.913 2247 V HA 0.121 4.241 4.120 0.000 0.000 0.260 2247 V C 1.285 177.316 176.094 -0.105 0.000 1.098 2247 V CA 0.975 63.225 62.300 -0.083 0.000 1.121 2247 V CB -0.944 30.840 31.823 -0.065 0.000 0.714 2247 V HN 0.620 nan 8.190 nan 0.000 0.487 2248 G N -0.029 108.691 108.800 -0.133 0.000 2.550 2248 G HA2 -0.299 3.661 3.960 0.000 0.000 0.277 2248 G HA3 -0.299 3.661 3.960 0.000 0.000 0.277 2248 G C 0.471 175.237 174.900 -0.223 0.000 1.190 2248 G CA 0.455 45.459 45.100 -0.160 0.000 0.971 2248 G HN 1.097 nan 8.290 nan 0.000 0.559 2249 V N 1.847 121.592 119.914 -0.282 0.000 3.271 2249 V HA 0.587 4.707 4.120 0.000 0.000 0.327 2249 V C 1.415 177.301 176.094 -0.347 0.000 1.389 2249 V CA 2.148 64.133 62.300 -0.525 0.000 1.156 2249 V CB -0.615 30.839 31.823 -0.615 0.000 1.103 2249 V HN 2.665 nan 8.190 nan 0.000 0.453 2250 G N 0.731 109.405 108.800 -0.211 0.000 2.384 2250 G HA2 -0.128 3.832 3.960 0.000 0.000 0.200 2250 G HA3 -0.128 3.832 3.960 0.000 0.000 0.200 2250 G C 0.364 175.170 174.900 -0.157 0.000 1.205 2250 G CA 0.601 45.588 45.100 -0.189 0.000 1.116 2250 G HN 0.815 nan 8.290 nan 0.000 0.547 2251 T N -3.612 110.837 114.554 -0.176 0.000 3.177 2251 T HA 0.283 4.633 4.350 0.000 0.000 0.267 2251 T C 2.149 176.788 174.700 -0.102 0.000 0.858 2251 T CA 1.325 63.361 62.100 -0.107 0.000 0.846 2251 T CB -0.310 68.514 68.868 -0.073 0.000 1.256 2251 T HN 1.754 nan 8.240 nan 0.000 0.601 2252 S N 0.754 116.345 115.700 -0.182 0.000 2.453 2252 S HA 0.031 4.501 4.470 0.000 0.000 0.231 2252 S C 1.542 176.160 174.600 0.029 0.000 1.005 2252 S CA 0.271 58.404 58.200 -0.112 0.000 0.949 2252 S CB -1.030 62.074 63.200 -0.159 0.000 0.774 2252 S HN 0.691 nan 8.310 nan 0.000 0.510 2253 Y N 1.724 122.004 120.300 -0.033 0.000 2.519 2253 Y HA 0.262 4.812 4.550 0.000 0.000 0.287 2253 Y C 2.006 177.853 175.900 -0.088 0.000 1.128 2253 Y CA -0.218 57.831 58.100 -0.085 0.000 1.282 2253 Y CB -0.171 38.341 38.460 0.086 0.000 1.027 2253 Y HN 0.490 nan 8.280 nan 0.000 0.551 2254 G N 1.276 110.128 108.800 0.086 0.000 2.137 2254 G HA2 -0.266 3.694 3.960 0.000 0.000 0.237 2254 G HA3 -0.266 3.694 3.960 0.000 0.000 0.237 2254 G C -0.395 174.527 174.900 0.037 0.000 1.002 2254 G CA -0.214 44.904 45.100 0.031 0.000 0.702 2254 G HN 0.216 nan 8.290 nan 0.000 0.515 2255 L N 0.145 121.405 121.223 0.061 0.000 2.331 2255 L HA 0.530 4.870 4.340 0.000 0.000 0.275 2255 L C -1.758 175.112 176.870 0.001 0.000 1.022 2255 L CA -2.398 52.467 54.840 0.043 0.000 0.812 2255 L CB 1.451 43.557 42.059 0.079 0.000 1.257 2255 L HN -0.121 nan 8.230 nan 0.000 0.435 2256 P HA 0.018 nan 4.420 nan 0.000 0.266 2256 P C -1.038 176.237 177.300 -0.041 0.000 1.195 2256 P CA -0.165 62.922 63.100 -0.022 0.000 0.768 2256 P CB 0.344 32.034 31.700 -0.016 0.000 0.838 2257 Q N 1.323 121.096 119.800 -0.046 0.000 2.844 2257 Q HA 0.475 4.815 4.340 0.000 0.000 0.235 2257 Q C -0.471 175.488 176.000 -0.068 0.000 1.336 2257 Q CA -0.195 55.570 55.803 -0.064 0.000 1.026 2257 Q CB 0.185 28.889 28.738 -0.058 0.000 1.513 2257 Q HN 0.440 nan 8.270 nan 0.000 0.577 2258 A N 1.348 124.121 122.820 -0.079 0.000 2.435 2258 A HA 0.393 4.713 4.320 0.000 0.000 0.304 2258 A C 0.550 178.056 177.584 -0.130 0.000 1.064 2258 A CA -0.743 51.243 52.037 -0.085 0.000 0.727 2258 A CB 1.159 20.130 19.000 -0.047 0.000 1.284 2258 A HN 0.669 nan 8.150 nan 0.000 0.415 2259 R N 0.625 121.007 120.500 -0.197 0.000 2.200 2259 R HA -0.152 4.188 4.340 0.000 0.000 0.234 2259 R C 2.010 178.202 176.300 -0.179 0.000 1.127 2259 R CA 1.599 57.510 56.100 -0.315 0.000 0.989 2259 R CB -0.085 29.765 30.300 -0.749 0.000 0.869 2259 R HN 0.809 nan 8.270 nan 0.000 0.459 2260 R N 1.092 121.548 120.500 -0.074 0.000 2.081 2260 R HA -0.128 4.212 4.340 0.000 0.000 0.235 2260 R C 2.084 178.372 176.300 -0.019 0.000 1.131 2260 R CA 1.272 57.373 56.100 0.002 0.000 0.960 2260 R CB -0.046 30.269 30.300 0.025 0.000 0.856 2260 R HN 0.086 nan 8.270 nan 0.000 0.436 2261 I N 0.810 121.349 120.570 -0.051 0.000 2.142 2261 I HA -0.222 3.948 4.170 0.000 0.000 0.240 2261 I C 2.245 178.307 176.117 -0.092 0.000 1.078 2261 I CA 1.325 62.589 61.300 -0.061 0.000 1.343 2261 I CB -1.266 36.685 38.000 -0.082 0.000 1.046 2261 I HN 0.188 nan 8.210 nan 0.000 0.405 2262 S N 0.949 116.569 115.700 -0.133 0.000 2.392 2262 S HA -0.172 4.298 4.470 0.000 0.000 0.232 2262 S C 2.001 176.571 174.600 -0.050 0.000 1.041 2262 S CA 1.392 59.509 58.200 -0.138 0.000 1.026 2262 S CB -0.331 62.785 63.200 -0.140 0.000 0.845 2262 S HN 0.385 nan 8.310 nan 0.000 0.465 2263 L N 0.539 121.749 121.223 -0.022 0.000 2.477 2263 L HA 0.246 4.586 4.340 0.000 0.000 0.220 2263 L C 1.308 178.200 176.870 0.038 0.000 1.106 2263 L CA -0.187 54.670 54.840 0.028 0.000 0.851 2263 L CB -0.583 41.510 42.059 0.057 0.000 0.994 2263 L HN 0.190 nan 8.230 nan 0.000 0.462 2264 A N 0.529 123.363 122.820 0.023 0.000 2.599 2264 A HA 0.146 4.466 4.320 0.000 0.000 0.240 2264 A C 0.762 178.376 177.584 0.050 0.000 1.109 2264 A CA 0.704 52.762 52.037 0.034 0.000 0.798 2264 A CB -0.185 18.829 19.000 0.024 0.000 1.050 2264 A HN 0.379 nan 8.150 nan 0.000 0.518 2265 T N -2.224 112.362 114.554 0.053 0.000 2.927 2265 T HA 0.533 4.883 4.350 0.000 0.000 0.281 2265 T C -2.060 172.678 174.700 0.063 0.000 0.998 2265 T CA -1.389 60.747 62.100 0.059 0.000 1.019 2265 T CB 1.167 70.068 68.868 0.056 0.000 1.061 2265 T HN 0.293 nan 8.240 nan 0.000 0.518 2266 P HA -0.049 nan 4.420 nan 0.000 0.215 2266 P C 1.765 179.099 177.300 0.057 0.000 1.157 2266 P CA 1.074 64.199 63.100 0.041 0.000 0.868 2266 P CB 0.084 31.798 31.700 0.023 0.000 0.788 2267 R N -0.534 120.005 120.500 0.066 0.000 2.120 2267 R HA -0.136 4.204 4.340 0.000 0.000 0.234 2267 R C 2.386 178.766 176.300 0.134 0.000 1.123 2267 R CA 1.306 57.467 56.100 0.101 0.000 0.975 2267 R CB -0.542 29.808 30.300 0.083 0.000 0.866 2267 R HN 0.416 nan 8.270 nan 0.000 0.446 2268 Q N 0.567 120.424 119.800 0.095 0.000 1.990 2268 Q HA -0.111 4.229 4.340 0.000 0.000 0.200 2268 Q C 2.358 178.412 176.000 0.091 0.000 0.980 2268 Q CA 1.247 57.099 55.803 0.082 0.000 0.832 2268 Q CB -0.185 28.589 28.738 0.060 0.000 0.897 2268 Q HN 0.287 nan 8.270 nan 0.000 0.427 2269 L N -0.192 121.086 121.223 0.091 0.000 2.010 2269 L HA -0.298 4.042 4.340 0.000 0.000 0.219 2269 L C 2.495 179.453 176.870 0.147 0.000 1.077 2269 L CA 1.818 56.720 54.840 0.104 0.000 0.773 2269 L CB -0.776 41.338 42.059 0.091 0.000 0.892 2269 L HN 0.322 nan 8.230 nan 0.000 0.436 2270 Y N 1.241 121.551 120.300 0.016 0.000 2.070 2270 Y HA -0.377 4.173 4.550 0.000 0.000 0.280 2270 Y C 2.723 178.682 175.900 0.099 0.000 1.148 2270 Y CA 2.260 60.389 58.100 0.047 0.000 1.125 2270 Y CB -0.375 38.074 38.460 -0.020 0.000 0.975 2270 Y HN -0.013 nan 8.280 nan 0.000 0.492 2271 K N 0.168 120.586 120.400 0.029 0.000 2.034 2271 K HA -0.171 4.149 4.320 0.000 0.000 0.214 2271 K C 1.849 178.394 176.600 -0.092 0.000 1.051 2271 K CA 2.316 58.563 56.287 -0.066 0.000 0.931 2271 K CB -0.785 31.746 32.500 0.052 0.000 0.715 2271 K HN 0.294 nan 8.250 nan 0.000 0.446 2272 S N -0.143 115.544 115.700 -0.021 0.000 2.701 2272 S HA 0.091 4.561 4.470 0.000 0.000 0.220 2272 S C 0.241 174.836 174.600 -0.009 0.000 0.954 2272 S CA -0.011 58.182 58.200 -0.012 0.000 0.936 2272 S CB -0.046 63.163 63.200 0.015 0.000 0.777 2272 S HN 0.352 nan 8.310 nan 0.000 0.518 2273 S N 2.479 118.162 115.700 -0.028 0.000 2.651 2273 S HA 0.433 4.903 4.470 0.000 0.000 0.291 2273 S C -0.008 174.537 174.600 -0.092 0.000 1.141 2273 S CA -1.018 57.176 58.200 -0.010 0.000 1.027 2273 S CB 0.541 63.814 63.200 0.121 0.000 1.043 2273 S HN 0.628 nan 8.310 nan 0.000 0.530 2277 Q N 2.424 122.210 119.800 -0.023 0.000 1.969 2277 Q HA 0.136 4.476 4.340 0.000 0.000 0.198 2277 Q C 2.260 178.217 176.000 -0.071 0.000 0.978 2277 Q CA 1.230 57.003 55.803 -0.051 0.000 0.830 2277 Q CB -0.495 28.207 28.738 -0.061 0.000 0.896 2277 Q HN 0.471 nan 8.270 nan 0.000 0.431 2278 R N -0.025 120.439 120.500 -0.060 0.000 2.117 2278 R HA -0.193 4.147 4.340 0.000 0.000 0.243 2278 R C 2.076 178.342 176.300 -0.057 0.000 1.143 2278 R CA 1.548 57.615 56.100 -0.055 0.000 0.968 2278 R CB -0.666 29.613 30.300 -0.036 0.000 0.863 2278 R HN 0.352 nan 8.270 nan 0.000 0.444 2279 W N 2.428 123.577 121.300 -0.252 0.000 2.333 2279 W HA -0.204 4.456 4.660 0.000 0.000 0.316 2279 W C 2.065 178.448 176.519 -0.228 0.000 1.215 2279 W CA 1.430 58.578 57.345 -0.328 0.000 1.278 2279 W CB -0.457 28.487 29.460 -0.860 0.000 1.154 2279 W HN 0.056 nan 8.180 nan 0.000 0.486 2280 Q N -0.215 119.291 119.800 -0.490 0.000 2.061 2280 Q HA -0.228 4.112 4.340 0.000 0.000 0.204 2280 Q C 2.250 178.004 176.000 -0.410 0.000 0.984 2280 Q CA 1.726 57.162 55.803 -0.612 0.000 0.846 2280 Q CB -0.545 27.998 28.738 -0.325 0.000 0.902 2280 Q HN 0.265 nan 8.270 nan 0.000 0.421 2281 R N 0.274 120.621 120.500 -0.254 0.000 2.346 2281 R HA -0.032 4.308 4.340 0.000 0.000 0.199 2281 R C -0.048 176.151 176.300 -0.168 0.000 1.015 2281 R CA 0.131 56.124 56.100 -0.178 0.000 1.058 2281 R CB 0.117 30.346 30.300 -0.119 0.000 0.921 2281 R HN 0.161 nan 8.270 nan 0.000 0.475 2282 R N -1.373 118.993 120.500 -0.224 0.000 4.016 2282 R HA -0.227 4.113 4.340 0.000 0.000 0.385 2282 R C 0.261 176.514 176.300 -0.078 0.000 1.158 2282 R CA 1.570 57.571 56.100 -0.165 0.000 1.117 2282 R CB -1.853 28.360 30.300 -0.145 0.000 1.635 2282 R HN 0.496 nan 8.270 nan 0.000 0.560 2283 E N 0.056 120.220 120.200 -0.061 0.000 2.347 2283 E HA 0.046 4.396 4.350 0.000 0.000 0.196 2283 E C 0.617 177.231 176.600 0.022 0.000 1.008 2283 E CA 0.581 56.968 56.400 -0.021 0.000 0.852 2283 E CB 0.174 29.859 29.700 -0.024 0.000 0.783 2283 E HN 0.148 nan 8.360 nan 0.000 0.505 2284 I N 0.736 121.335 120.570 0.049 0.000 2.569 2284 I HA 0.118 4.288 4.170 0.000 0.000 0.296 2284 I C 0.374 176.614 176.117 0.205 0.000 1.028 2284 I CA -0.778 60.606 61.300 0.140 0.000 1.082 2284 I CB 1.787 39.899 38.000 0.188 0.000 1.264 2284 I HN -0.103 nan 8.210 nan 0.000 0.429 2285 S N 4.413 120.257 115.700 0.240 0.000 2.652 2285 S HA 0.325 4.795 4.470 0.000 0.000 0.270 2285 S C 0.893 175.737 174.600 0.406 0.000 1.243 2285 S CA -0.590 57.772 58.200 0.269 0.000 0.999 2285 S CB 1.125 64.460 63.200 0.226 0.000 0.973 2285 S HN 0.544 nan 8.310 nan 0.000 0.544 2286 N N 0.538 119.476 118.700 0.398 0.000 2.094 2286 N HA -0.126 4.614 4.740 0.000 0.000 0.191 2286 N C 1.191 176.863 175.510 0.269 0.000 1.023 2286 N CA 1.409 54.700 53.050 0.401 0.000 0.857 2286 N CB -0.785 37.886 38.487 0.306 0.000 1.013 2286 N HN 0.738 nan 8.380 nan 0.000 0.426 2287 F N 2.182 122.236 119.950 0.174 0.000 2.075 2287 F HA -0.147 4.380 4.527 0.000 0.000 0.297 2287 F C 2.204 178.139 175.800 0.225 0.000 1.113 2287 F CA 1.459 59.596 58.000 0.228 0.000 1.218 2287 F CB -0.076 39.036 39.000 0.187 0.000 0.984 2287 F HN 0.043 nan 8.300 nan 0.000 0.472 2288 E N -0.959 119.532 120.200 0.485 0.000 2.085 2288 E HA -0.288 4.062 4.350 0.000 0.000 0.194 2288 E C 1.985 178.728 176.600 0.238 0.000 0.994 2288 E CA 1.571 58.186 56.400 0.358 0.000 0.801 2288 E CB -0.614 29.279 29.700 0.320 0.000 0.743 2288 E HN 0.550 nan 8.360 nan 0.000 0.453 2289 Y N 1.731 122.070 120.300 0.065 0.000 2.114 2289 Y HA -0.098 4.452 4.550 0.000 0.000 0.284 2289 Y C 1.206 176.983 175.900 -0.205 0.000 1.143 2289 Y CA 0.857 58.911 58.100 -0.075 0.000 1.135 2289 Y CB -0.384 37.871 38.460 -0.343 0.000 0.980 2289 Y HN -0.134 nan 8.280 nan 0.000 0.499 2293 L N 1.909 122.531 121.223 -1.003 0.000 1.990 2293 L HA -0.246 4.094 4.340 0.000 0.000 0.213 2293 L C 2.095 178.371 176.870 -0.991 0.000 1.072 2293 L CA 2.135 56.199 54.840 -1.293 0.000 0.755 2293 L CB -0.977 40.139 42.059 -1.571 0.000 0.889 2293 L HN 0.368 nan 8.230 nan 0.000 0.432 2294 N N -0.610 117.696 118.700 -0.657 0.000 2.104 2294 N HA -0.163 4.577 4.740 0.000 0.000 0.190 2294 N C 1.795 177.138 175.510 -0.277 0.000 1.024 2294 N CA 2.046 54.930 53.050 -0.277 0.000 0.853 2294 N CB -0.273 38.120 38.487 -0.156 0.000 1.008 2294 N HN 0.371 nan 8.380 nan 0.000 0.424 2295 T N 1.908 116.258 114.554 -0.341 0.000 2.777 2295 T HA -0.013 4.337 4.350 0.000 0.000 0.266 2295 T C 1.953 176.476 174.700 -0.295 0.000 1.040 2295 T CA 0.473 62.376 62.100 -0.327 0.000 1.141 2295 T CB 0.076 68.768 68.868 -0.293 0.000 0.868 2295 T HN 0.099 nan 8.240 nan 0.000 0.444 2296 I N 1.680 122.037 120.570 -0.356 0.000 2.353 2296 I HA 0.019 4.189 4.170 0.000 0.000 0.248 2296 I C 2.743 178.768 176.117 -0.153 0.000 1.119 2296 I CA 0.600 61.763 61.300 -0.230 0.000 1.417 2296 I CB -1.586 36.070 38.000 -0.574 0.000 1.078 2296 I HN 0.159 nan 8.210 nan 0.000 0.421 2297 A N 0.122 122.817 122.820 -0.210 0.000 2.248 2297 A HA 0.209 4.529 4.320 0.000 0.000 0.210 2297 A C 1.951 179.521 177.584 -0.023 0.000 1.174 2297 A CA 1.082 53.088 52.037 -0.051 0.000 0.750 2297 A CB -0.903 18.185 19.000 0.147 0.000 0.780 2297 A HN 0.621 nan 8.150 nan 0.000 0.478 2298 G N -1.318 107.452 108.800 -0.049 0.000 2.157 2298 G HA2 -0.230 3.730 3.960 0.000 0.000 0.248 2298 G HA3 -0.230 3.730 3.960 0.000 0.000 0.248 2298 G C 0.297 175.162 174.900 -0.058 0.000 0.979 2298 G CA 0.095 45.179 45.100 -0.026 0.000 0.650 2298 G HN 0.542 nan 8.290 nan 0.000 0.529 2299 R N 0.289 120.735 120.500 -0.090 0.000 2.641 2299 R HA 0.589 4.929 4.340 0.000 0.000 0.269 2299 R C 0.143 176.342 176.300 -0.167 0.000 1.074 2299 R CA 0.820 56.850 56.100 -0.116 0.000 1.133 2299 R CB 1.122 31.352 30.300 -0.115 0.000 1.029 2299 R HN 0.407 nan 8.270 nan 0.000 0.488 2300 T N -0.091 114.351 114.554 -0.186 0.000 2.885 2300 T HA 0.240 4.590 4.350 0.000 0.000 0.322 2300 T C 0.116 174.690 174.700 -0.209 0.000 1.387 2300 T CA -0.625 61.363 62.100 -0.186 0.000 1.041 2300 T CB 0.789 69.615 68.868 -0.070 0.000 1.287 2300 T HN 0.529 nan 8.240 nan 0.000 0.491 2301 Y N 1.892 122.140 120.300 -0.088 0.000 2.571 2301 Y HA 0.121 4.671 4.550 0.000 0.000 0.294 2301 Y C 2.342 178.327 175.900 0.142 0.000 1.141 2301 Y CA 0.369 58.466 58.100 -0.006 0.000 1.308 2301 Y CB 0.220 38.694 38.460 0.024 0.000 1.002 2301 Y HN 0.541 nan 8.280 nan 0.000 0.551 2302 N N -0.318 118.475 118.700 0.155 0.000 2.412 2302 N HA -0.068 4.672 4.740 0.000 0.000 0.184 2302 N C -0.398 175.153 175.510 0.068 0.000 1.101 2302 N CA 0.733 53.826 53.050 0.071 0.000 0.881 2302 N CB 0.256 38.694 38.487 -0.082 0.000 0.969 2302 N HN 0.228 nan 8.380 nan 0.000 0.459 2303 D N 0.465 120.936 120.400 0.119 0.000 2.402 2303 D HA 0.178 4.818 4.640 0.000 0.000 0.252 2303 D C 0.963 177.354 176.300 0.153 0.000 1.294 2303 D CA -0.377 53.691 54.000 0.115 0.000 0.948 2303 D CB 0.937 41.801 40.800 0.107 0.000 1.202 2303 D HN -0.130 nan 8.370 nan 0.000 0.561 2304 L N 2.470 123.757 121.223 0.106 0.000 2.450 2304 L HA -0.082 4.258 4.340 0.000 0.000 0.224 2304 L C 1.488 178.350 176.870 -0.014 0.000 1.149 2304 L CA 0.572 55.422 54.840 0.017 0.000 0.816 2304 L CB -0.176 41.822 42.059 -0.102 0.000 0.932 2304 L HN 0.326 nan 8.230 nan 0.000 0.449 2305 N N 0.077 118.770 118.700 -0.011 0.000 2.412 2305 N HA -0.047 4.694 4.740 0.000 0.000 0.184 2305 N C 0.650 176.102 175.510 -0.096 0.000 1.101 2305 N CA 0.618 53.620 53.050 -0.079 0.000 0.881 2305 N CB 0.393 38.815 38.487 -0.108 0.000 0.969 2305 N HN 0.538 nan 8.380 nan 0.000 0.459 2306 Q N -0.446 119.342 119.800 -0.021 0.000 2.088 2306 Q HA 0.147 4.487 4.340 0.000 0.000 0.270 2306 Q C -0.933 175.074 176.000 0.012 0.000 0.854 2306 Q CA -0.377 55.399 55.803 -0.046 0.000 1.104 2306 Q CB 0.552 29.262 28.738 -0.047 0.000 1.251 2306 Q HN 0.161 nan 8.270 nan 0.000 0.436 2307 Y N 2.252 122.490 120.300 -0.103 0.000 2.709 2307 Y HA -0.016 4.534 4.550 0.000 0.000 0.348 2307 Y C -1.965 173.876 175.900 -0.097 0.000 1.267 2307 Y CA -0.871 57.166 58.100 -0.104 0.000 1.486 2307 Y CB 0.319 38.745 38.460 -0.057 0.000 1.356 2307 Y HN 0.111 nan 8.280 nan 0.000 0.639 2308 P HA 0.100 nan 4.420 nan 0.000 0.270 2308 P C -1.397 175.965 177.300 0.103 0.000 1.223 2308 P CA 0.059 63.056 63.100 -0.172 0.000 0.785 2308 P CB 0.568 32.046 31.700 -0.370 0.000 0.923 2309 V N 2.529 122.570 119.914 0.211 0.000 2.531 2309 V HA 0.472 4.592 4.120 0.000 0.000 0.301 2309 V C -0.588 175.733 176.094 0.379 0.000 1.034 2309 V CA -0.216 62.268 62.300 0.306 0.000 0.865 2309 V CB 0.986 32.962 31.823 0.255 0.000 0.995 2309 V HN 0.370 nan 8.190 nan 0.000 0.424 2310 F N 5.674 125.651 119.950 0.044 0.000 2.577 2310 F HA 0.724 5.251 4.527 0.000 0.000 0.318 2310 F C -2.308 173.291 175.800 -0.335 0.000 1.065 2310 F CA -2.217 55.674 58.000 -0.180 0.000 0.929 2310 F CB 3.011 41.929 39.000 -0.137 0.000 1.237 2310 F HN 0.283 nan 8.300 nan 0.000 0.468 2311 P HA 0.114 nan 4.420 nan 0.000 0.282 2311 P C -1.169 176.041 177.300 -0.149 0.000 1.259 2311 P CA -0.441 62.288 63.100 -0.619 0.000 0.826 2311 P CB 0.960 31.663 31.700 -1.661 0.000 1.064 2312 W N 1.167 122.434 121.300 -0.056 0.000 2.216 2312 W HA 0.150 4.810 4.660 0.000 0.000 0.326 2312 W C 1.322 177.854 176.519 0.021 0.000 1.319 2312 W CA 0.054 57.432 57.345 0.054 0.000 1.213 2312 W CB 0.335 29.940 29.460 0.241 0.000 1.171 2312 W HN 0.112 nan 8.180 nan 0.000 0.557 2313 V N 2.909 122.999 119.914 0.293 0.000 3.013 2313 V HA 0.141 4.261 4.120 0.000 0.000 0.238 2313 V C 0.591 176.703 176.094 0.030 0.000 1.161 2313 V CA 0.380 62.793 62.300 0.188 0.000 1.170 2313 V CB -0.326 31.642 31.823 0.241 0.000 0.917 2313 V HN 0.279 nan 8.190 nan 0.000 0.478 2314 L N 0.608 121.786 121.223 -0.076 0.000 2.360 2314 L HA 0.385 4.725 4.340 0.000 0.000 0.271 2314 L C 1.225 177.740 176.870 -0.591 0.000 1.057 2314 L CA 0.356 54.930 54.840 -0.443 0.000 0.803 2314 L CB 1.674 43.407 42.059 -0.543 0.000 1.207 2314 L HN 0.291 nan 8.230 nan 0.000 0.445 2315 T N -3.431 110.671 114.554 -0.755 0.000 2.975 2315 T HA 0.086 4.436 4.350 0.000 0.000 0.257 2315 T C 0.404 174.673 174.700 -0.717 0.000 1.003 2315 T CA -0.295 61.246 62.100 -0.933 0.000 0.932 2315 T CB -0.085 68.566 68.868 -0.361 0.000 1.087 2315 T HN 0.375 nan 8.240 nan 0.000 0.512 2316 N N 0.905 119.164 118.700 -0.734 0.000 2.485 2316 N HA 0.290 5.030 4.740 0.000 0.000 0.243 2316 N C -1.291 173.983 175.510 -0.393 0.000 0.987 2316 N CA -0.845 51.955 53.050 -0.415 0.000 0.940 2316 N CB 0.415 38.725 38.487 -0.296 0.000 1.122 2316 N HN 0.345 nan 8.380 nan 0.000 0.509 2317 Y N 1.524 121.949 120.300 0.207 0.000 2.721 2317 Y HA 0.356 4.906 4.550 0.000 0.000 0.251 2317 Y C 0.767 176.758 175.900 0.151 0.000 1.136 2317 Y CA -0.409 57.859 58.100 0.280 0.000 1.142 2317 Y CB 0.720 39.287 38.460 0.178 0.000 1.212 2317 Y HN 0.493 nan 8.280 nan 0.000 0.565 2318 E N -0.560 119.796 120.200 0.261 0.000 2.357 2318 E HA 0.064 4.414 4.350 0.000 0.000 0.202 2318 E C 0.863 177.560 176.600 0.162 0.000 0.855 2318 E CA 0.198 56.700 56.400 0.169 0.000 1.048 2318 E CB -0.144 29.641 29.700 0.142 0.000 1.037 2318 E HN 0.132 nan 8.360 nan 0.000 0.499 2319 S N 1.183 116.998 115.700 0.192 0.000 2.549 2319 S HA -0.104 4.366 4.470 0.000 0.000 0.278 2319 S C 1.226 175.975 174.600 0.247 0.000 1.344 2319 S CA 0.086 58.393 58.200 0.178 0.000 1.025 2319 S CB 0.691 63.961 63.200 0.116 0.000 0.851 2319 S HN 0.069 nan 8.310 nan 0.000 0.530 2320 E N 1.595 121.892 120.200 0.161 0.000 2.076 2320 E HA 0.059 4.409 4.350 0.000 0.000 0.190 2320 E C 0.338 177.066 176.600 0.214 0.000 0.979 2320 E CA 1.012 57.504 56.400 0.152 0.000 0.807 2320 E CB 0.107 29.860 29.700 0.088 0.000 0.761 2320 E HN 0.700 nan 8.360 nan 0.000 0.454 2321 E N -0.154 120.138 120.200 0.153 0.000 2.320 2321 E HA 0.420 4.770 4.350 0.000 0.000 0.264 2321 E C -1.134 175.422 176.600 -0.075 0.000 0.923 2321 E CA -0.878 55.580 56.400 0.096 0.000 0.796 2321 E CB 2.122 31.843 29.700 0.035 0.000 1.262 2321 E HN -0.147 nan 8.360 nan 0.000 0.428 2322 L N 2.050 123.115 121.223 -0.264 0.000 2.345 2322 L HA 0.298 4.638 4.340 0.000 0.000 0.274 2322 L C -1.230 175.436 176.870 -0.340 0.000 0.999 2322 L CA -0.429 54.079 54.840 -0.554 0.000 0.849 2322 L CB 1.206 42.513 42.059 -1.255 0.000 1.220 2322 L HN 0.358 nan 8.230 nan 0.000 0.422 2323 D N 4.305 124.565 120.400 -0.232 0.000 2.422 2323 D HA 0.153 4.793 4.640 0.000 0.000 0.227 2323 D C 0.991 177.251 176.300 -0.068 0.000 1.190 2323 D CA -0.004 53.927 54.000 -0.115 0.000 0.905 2323 D CB 0.589 41.353 40.800 -0.060 0.000 1.034 2323 D HN 0.609 nan 8.370 nan 0.000 0.507 2324 L N 2.922 124.132 121.223 -0.022 0.000 2.721 2324 L HA -0.044 4.296 4.340 0.000 0.000 0.241 2324 L C 1.634 178.758 176.870 0.424 0.000 1.168 2324 L CA 0.959 55.905 54.840 0.177 0.000 0.866 2324 L CB -0.811 41.337 42.059 0.149 0.000 0.996 2324 L HN 0.503 nan 8.230 nan 0.000 0.451 2325 T N -4.235 110.488 114.554 0.283 0.000 3.040 2325 T HA 0.182 4.532 4.350 0.000 0.000 0.266 2325 T C 0.366 175.187 174.700 0.202 0.000 1.005 2325 T CA -0.228 62.103 62.100 0.384 0.000 0.906 2325 T CB 0.243 69.238 68.868 0.210 0.000 1.082 2325 T HN 0.111 nan 8.240 nan 0.000 0.531 2326 L N 2.779 124.036 121.223 0.058 0.000 2.272 2326 L HA 0.407 4.747 4.340 0.000 0.000 0.284 2326 L C -1.823 174.952 176.870 -0.158 0.000 1.045 2326 L CA -2.637 52.175 54.840 -0.047 0.000 0.842 2326 L CB 1.898 43.934 42.059 -0.039 0.000 1.224 2326 L HN -0.087 nan 8.230 nan 0.000 0.430 2327 P HA -0.241 nan 4.420 nan 0.000 0.222 2327 P C 1.424 178.656 177.300 -0.114 0.000 1.157 2327 P CA 1.777 64.627 63.100 -0.415 0.000 0.905 2327 P CB 0.151 31.696 31.700 -0.258 0.000 0.792 2328 G N -0.817 107.937 108.800 -0.076 0.000 2.517 2328 G HA2 -0.295 3.665 3.960 0.000 0.000 0.222 2328 G HA3 -0.295 3.665 3.960 0.000 0.000 0.222 2328 G C 1.416 176.273 174.900 -0.072 0.000 1.109 2328 G CA 0.890 45.963 45.100 -0.045 0.000 0.746 2328 G HN 0.290 nan 8.290 nan 0.000 0.576 2329 N N -0.164 118.462 118.700 -0.123 0.000 2.494 2329 N HA 0.060 4.801 4.740 0.000 0.000 0.182 2329 N C -0.231 175.004 175.510 -0.459 0.000 1.076 2329 N CA 0.280 53.134 53.050 -0.327 0.000 0.908 2329 N CB 0.012 38.212 38.487 -0.479 0.000 0.967 2329 N HN 0.253 nan 8.380 nan 0.000 0.449 2330 F N 0.930 120.734 119.950 -0.245 0.000 2.425 2330 F HA 0.342 4.869 4.527 0.000 0.000 0.331 2330 F C 1.186 176.933 175.800 -0.089 0.000 1.085 2330 F CA -1.069 56.825 58.000 -0.176 0.000 1.028 2330 F CB 0.956 39.844 39.000 -0.186 0.000 1.177 2330 F HN -0.259 nan 8.300 nan 0.000 0.487 2331 R N 2.078 122.659 120.500 0.136 0.000 2.539 2331 R HA 0.052 4.392 4.340 0.000 0.000 0.275 2331 R C -0.726 175.685 176.300 0.185 0.000 1.077 2331 R CA -0.368 55.834 56.100 0.170 0.000 1.097 2331 R CB 0.787 31.216 30.300 0.214 0.000 1.018 2331 R HN 0.663 nan 8.270 nan 0.000 0.483 2332 D N 4.579 125.083 120.400 0.174 0.000 2.348 2332 D HA -0.009 4.631 4.640 0.000 0.000 0.259 2332 D C 0.822 177.216 176.300 0.156 0.000 1.296 2332 D CA 0.055 54.140 54.000 0.140 0.000 0.931 2332 D CB 0.295 41.166 40.800 0.118 0.000 1.067 2332 D HN 0.535 nan 8.370 nan 0.000 0.503 2333 L N 2.941 124.254 121.223 0.150 0.000 2.675 2333 L HA -0.097 4.243 4.340 0.000 0.000 0.238 2333 L C 1.911 178.884 176.870 0.172 0.000 1.155 2333 L CA 0.359 55.308 54.840 0.182 0.000 0.881 2333 L CB -0.202 41.945 42.059 0.147 0.000 1.008 2333 L HN 0.353 nan 8.230 nan 0.000 0.443 2334 S N -2.431 113.330 115.700 0.102 0.000 2.505 2334 S HA 0.127 4.597 4.470 0.000 0.000 0.216 2334 S C 0.704 175.317 174.600 0.022 0.000 1.018 2334 S CA -0.433 57.789 58.200 0.036 0.000 0.911 2334 S CB 0.328 63.540 63.200 0.019 0.000 0.818 2334 S HN 0.211 nan 8.310 nan 0.000 0.497 2335 K N 2.014 122.451 120.400 0.061 0.000 2.156 2335 K HA 0.562 4.882 4.320 0.000 0.000 0.254 2335 K C -2.991 173.635 176.600 0.044 0.000 0.950 2335 K CA -2.431 53.874 56.287 0.031 0.000 0.849 2335 K CB 1.153 33.678 32.500 0.041 0.000 1.100 2335 K HN 0.060 nan 8.250 nan 0.000 0.434 2336 P HA 0.033 nan 4.420 nan 0.000 0.274 2336 P C 0.782 178.066 177.300 -0.027 0.000 1.260 2336 P CA -0.467 62.608 63.100 -0.041 0.000 0.793 2336 P CB 0.433 32.083 31.700 -0.085 0.000 1.048 2337 I N 0.445 120.979 120.570 -0.060 0.000 2.226 2337 I HA -0.135 4.035 4.170 0.000 0.000 0.245 2337 I C 2.217 178.258 176.117 -0.126 0.000 1.100 2337 I CA 1.933 63.189 61.300 -0.072 0.000 1.374 2337 I CB -2.138 35.825 38.000 -0.061 0.000 1.057 2337 I HN 0.488 nan 8.210 nan 0.000 0.413 2338 G N -0.107 108.542 108.800 -0.252 0.000 2.708 2338 G HA2 0.036 3.996 3.960 0.000 0.000 0.210 2338 G HA3 0.036 3.996 3.960 0.000 0.000 0.210 2338 G C 1.416 176.378 174.900 0.103 0.000 1.141 2338 G CA 0.747 45.782 45.100 -0.108 0.000 0.788 2338 G HN 0.502 nan 8.290 nan 0.000 0.531 2339 A N -0.417 122.425 122.820 0.038 0.000 2.431 2339 A HA 0.486 4.806 4.320 0.000 0.000 0.239 2339 A C 2.040 179.658 177.584 0.057 0.000 1.230 2339 A CA -0.225 51.847 52.037 0.058 0.000 0.928 2339 A CB 0.097 19.099 19.000 0.004 0.000 1.006 2339 A HN 0.267 nan 8.150 nan 0.000 0.520 2340 L N -0.170 121.078 121.223 0.042 0.000 2.017 2340 L HA -0.089 4.251 4.340 0.000 0.000 0.208 2340 L C 1.039 177.938 176.870 0.048 0.000 1.073 2340 L CA 1.084 55.953 54.840 0.049 0.000 0.745 2340 L CB -0.364 41.712 42.059 0.028 0.000 0.894 2340 L HN 0.466 nan 8.230 nan 0.000 0.432 2341 N N 0.615 119.336 118.700 0.036 0.000 2.500 2341 N HA 0.106 4.846 4.740 0.000 0.000 0.236 2341 N C -1.495 174.055 175.510 0.067 0.000 1.022 2341 N CA -1.994 51.079 53.050 0.038 0.000 0.935 2341 N CB 0.959 39.449 38.487 0.004 0.000 1.147 2341 N HN -0.107 nan 8.380 nan 0.000 0.512 2342 P HA -0.240 nan 4.420 nan 0.000 0.217 2342 P C 0.573 177.909 177.300 0.060 0.000 1.148 2342 P CA 1.277 64.415 63.100 0.063 0.000 0.828 2342 P CB 0.388 32.118 31.700 0.050 0.000 0.783 2343 K N 0.268 120.695 120.400 0.045 0.000 1.991 2343 K HA -0.158 4.162 4.320 0.000 0.000 0.212 2343 K C 2.384 179.006 176.600 0.036 0.000 1.049 2343 K CA 1.396 57.701 56.287 0.031 0.000 0.932 2343 K CB -0.823 31.686 32.500 0.016 0.000 0.717 2343 K HN 0.208 nan 8.250 nan 0.000 0.441 2344 R N 0.689 121.219 120.500 0.049 0.000 2.119 2344 R HA 0.022 4.362 4.340 0.000 0.000 0.222 2344 R C 2.228 178.581 176.300 0.089 0.000 1.088 2344 R CA 0.968 57.097 56.100 0.048 0.000 0.984 2344 R CB -0.132 30.222 30.300 0.090 0.000 0.884 2344 R HN 0.169 nan 8.270 nan 0.000 0.447 2345 A N 0.693 123.621 122.820 0.180 0.000 1.917 2345 A HA -0.163 4.157 4.320 0.000 0.000 0.219 2345 A C 2.192 179.881 177.584 0.176 0.000 1.182 2345 A CA 1.869 54.064 52.037 0.263 0.000 0.633 2345 A CB -0.712 18.386 19.000 0.164 0.000 0.819 2345 A HN 0.218 nan 8.150 nan 0.000 0.448 2346 V N -1.025 118.952 119.914 0.105 0.000 2.252 2346 V HA -0.295 3.825 4.120 0.000 0.000 0.249 2346 V C 2.286 178.433 176.094 0.089 0.000 1.056 2346 V CA 2.295 64.647 62.300 0.087 0.000 1.022 2346 V CB -1.090 30.774 31.823 0.070 0.000 0.641 2346 V HN 0.646 nan 8.190 nan 0.000 0.445 2347 F N 0.472 120.336 119.950 -0.144 0.000 2.154 2347 F HA -0.247 4.280 4.527 0.000 0.000 0.301 2347 F C 2.156 177.831 175.800 -0.208 0.000 1.087 2347 F CA 1.483 59.346 58.000 -0.228 0.000 1.274 2347 F CB -0.690 38.079 39.000 -0.385 0.000 1.009 2347 F HN 0.256 nan 8.300 nan 0.000 0.485 2348 Y N -0.457 119.763 120.300 -0.132 0.000 2.220 2348 Y HA -0.000 4.550 4.550 0.000 0.000 0.291 2348 Y C 2.652 178.488 175.900 -0.106 0.000 1.129 2348 Y CA 0.917 58.862 58.100 -0.258 0.000 1.161 2348 Y CB -1.057 37.298 38.460 -0.175 0.000 0.997 2348 Y HN 0.086 nan 8.280 nan 0.000 0.522 2349 A N 0.296 123.202 122.820 0.143 0.000 1.877 2349 A HA -0.250 4.070 4.320 0.000 0.000 0.216 2349 A C 2.113 179.738 177.584 0.069 0.000 1.186 2349 A CA 1.871 53.982 52.037 0.123 0.000 0.620 2349 A CB -0.755 18.307 19.000 0.103 0.000 0.822 2349 A HN 0.532 nan 8.150 nan 0.000 0.443 2350 E N -0.495 119.725 120.200 0.033 0.000 2.038 2350 E HA -0.254 4.096 4.350 0.000 0.000 0.195 2350 E C 2.312 178.904 176.600 -0.012 0.000 1.000 2350 E CA 1.142 57.557 56.400 0.025 0.000 0.803 2350 E CB -0.214 29.522 29.700 0.059 0.000 0.750 2350 E HN 0.434 nan 8.360 nan 0.000 0.448 2351 R N -0.380 120.056 120.500 -0.106 0.000 2.152 2351 R HA -0.172 4.168 4.340 0.000 0.000 0.232 2351 R C 2.043 178.328 176.300 -0.024 0.000 1.117 2351 R CA 1.230 57.253 56.100 -0.128 0.000 0.981 2351 R CB -0.379 29.680 30.300 -0.400 0.000 0.870 2351 R HN 0.357 nan 8.270 nan 0.000 0.451 2352 Y N 1.137 121.305 120.300 -0.219 0.000 2.243 2352 Y HA -0.102 4.448 4.550 0.000 0.000 0.293 2352 Y C 2.069 177.879 175.900 -0.149 0.000 1.124 2352 Y CA 1.478 59.380 58.100 -0.330 0.000 1.159 2352 Y CB 0.118 38.237 38.460 -0.568 0.000 1.008 2352 Y HN 0.026 nan 8.280 nan 0.000 0.527 2353 E N -0.335 119.865 120.200 -0.001 0.000 2.001 2353 E HA -0.139 4.211 4.350 0.000 0.000 0.195 2353 E C 1.557 178.135 176.600 -0.037 0.000 1.002 2353 E CA 2.020 58.409 56.400 -0.017 0.000 0.819 2353 E CB -0.721 28.993 29.700 0.023 0.000 0.769 2353 E HN 0.370 nan 8.360 nan 0.000 0.454 2354 T N -0.543 114.000 114.554 -0.019 0.000 4.096 2354 T HA -0.051 4.299 4.350 0.000 0.000 0.241 2354 T C -0.175 174.496 174.700 -0.049 0.000 0.869 2354 T CA -0.284 61.795 62.100 -0.034 0.000 0.909 2354 T CB -0.762 68.085 68.868 -0.036 0.000 1.260 2354 T HN 0.123 nan 8.240 nan 0.000 0.692 2355 W N 2.970 124.120 121.300 -0.250 0.000 2.433 2355 W HA 0.412 5.072 4.660 0.000 0.000 0.315 2355 W C -0.798 175.584 176.519 -0.229 0.000 1.087 2355 W CA -0.873 56.296 57.345 -0.294 0.000 1.205 2355 W CB 1.000 30.188 29.460 -0.454 0.000 1.288 2355 W HN 0.592 nan 8.180 nan 0.000 0.504 2356 E N 4.646 124.487 120.200 -0.599 0.000 2.361 2356 E HA 0.327 4.677 4.350 0.000 0.000 0.270 2356 E C -1.397 174.896 176.600 -0.511 0.000 0.911 2356 E CA -0.650 55.526 56.400 -0.373 0.000 0.818 2356 E CB 2.327 31.878 29.700 -0.248 0.000 1.332 2356 E HN 0.216 nan 8.360 nan 0.000 0.402 2357 D N 1.385 121.605 120.400 -0.299 0.000 2.725 2357 D HA 0.237 4.877 4.640 0.000 0.000 0.292 2357 D C -1.692 174.595 176.300 -0.021 0.000 1.288 2357 D CA -0.398 53.482 54.000 -0.199 0.000 0.784 2357 D CB 2.577 43.207 40.800 -0.284 0.000 1.308 2357 D HN 0.401 nan 8.370 nan 0.000 0.429 2358 D N 0.091 120.491 120.400 -0.001 0.000 2.498 2358 D HA 0.338 4.978 4.640 0.000 0.000 0.247 2358 D C -0.348 175.974 176.300 0.035 0.000 1.070 2358 D CA 0.159 54.167 54.000 0.013 0.000 0.842 2358 D CB 1.250 42.050 40.800 -0.001 0.000 1.361 2358 D HN 0.457 nan 8.370 nan 0.000 0.484 2359 Q N 0.532 120.331 119.800 -0.003 0.000 2.393 2359 Q HA -0.179 4.161 4.340 0.000 0.000 0.235 2359 Q C -0.546 175.417 176.000 -0.062 0.000 0.823 2359 Q CA 1.254 57.027 55.803 -0.049 0.000 1.284 2359 Q CB -1.754 26.997 28.738 0.023 0.000 1.669 2359 Q HN 0.237 nan 8.270 nan 0.000 0.597 2360 S N 0.467 116.193 115.700 0.043 0.000 2.062 2360 S HA 0.352 4.822 4.470 0.000 0.000 0.163 2360 S C -2.370 172.308 174.600 0.130 0.000 1.612 2360 S CA -0.924 57.383 58.200 0.178 0.000 1.251 2360 S CB 1.049 64.468 63.200 0.366 0.000 1.174 2360 S HN 0.050 nan 8.310 nan 0.000 0.428 2361 P HA 0.025 nan 4.420 nan 0.000 0.268 2361 P C -2.596 174.308 177.300 -0.660 0.000 1.189 2361 P CA -0.569 62.364 63.100 -0.280 0.000 0.771 2361 P CB -0.407 31.153 31.700 -0.234 0.000 0.822 2362 P HA 0.078 nan 4.420 nan 0.000 0.268 2362 P C -1.113 175.617 177.300 -0.951 0.000 1.205 2362 P CA 0.533 62.423 63.100 -2.017 0.000 0.771 2362 P CB 0.045 30.597 31.700 -1.912 0.000 0.858 2363 Y N -0.601 119.102 120.300 -0.996 0.000 2.588 2363 Y HA 0.510 5.060 4.550 0.000 0.000 0.343 2363 Y C 0.459 176.104 175.900 -0.426 0.000 1.065 2363 Y CA -0.982 56.861 58.100 -0.427 0.000 1.038 2363 Y CB 0.502 38.771 38.460 -0.317 0.000 1.297 2363 Y HN 0.330 nan 8.280 nan 0.000 0.467 2364 H N 0.584 119.531 119.070 -0.206 0.000 2.399 2364 H HA 0.252 4.808 4.556 0.000 0.000 0.300 2364 H C -0.936 173.988 175.328 -0.673 0.000 1.048 2364 H CA 1.483 57.143 56.048 -0.647 0.000 1.370 2364 H CB 0.118 29.034 29.762 -1.410 0.000 1.428 2364 H HN 0.585 nan 8.280 nan 0.000 0.534 2365 Y N 0.745 121.009 120.300 -0.060 0.000 2.429 2365 Y HA 0.227 4.777 4.550 0.000 0.000 0.342 2365 Y C 0.670 176.377 175.900 -0.322 0.000 1.004 2365 Y CA -1.258 56.759 58.100 -0.139 0.000 1.075 2365 Y CB 0.920 39.172 38.460 -0.346 0.000 1.214 2365 Y HN 0.118 nan 8.280 nan 0.000 0.455 2366 N N -0.742 117.920 118.700 -0.064 0.000 2.236 2366 N HA 0.069 4.809 4.740 0.000 0.000 0.196 2366 N C -0.364 175.050 175.510 -0.160 0.000 1.114 2366 N CA 0.060 52.907 53.050 -0.338 0.000 0.859 2366 N CB 0.455 38.901 38.487 -0.068 0.000 0.982 2366 N HN 0.482 nan 8.380 nan 0.000 0.493 2367 T N 0.499 115.072 114.554 0.031 0.000 2.856 2367 T HA 0.198 4.549 4.350 0.000 0.000 0.283 2367 T C -0.889 173.880 174.700 0.116 0.000 1.008 2367 T CA -0.460 61.685 62.100 0.075 0.000 0.997 2367 T CB 2.221 71.158 68.868 0.114 0.000 0.992 2367 T HN 0.128 nan 8.240 nan 0.000 0.454 2368 H N 1.169 120.231 119.070 -0.014 0.000 2.530 2368 H HA 0.279 4.835 4.556 0.000 0.000 0.342 2368 H C 0.101 175.363 175.328 -0.111 0.000 1.312 2368 H CA -0.456 55.494 56.048 -0.163 0.000 1.376 2368 H CB 1.007 30.549 29.762 -0.368 0.000 1.692 2368 H HN 0.800 nan 8.280 nan 0.000 0.622 2369 Y N -1.074 119.313 120.300 0.145 0.000 2.467 2369 Y HA 0.371 4.921 4.550 0.000 0.000 0.250 2369 Y C 0.182 176.181 175.900 0.164 0.000 1.155 2369 Y CA -0.479 57.688 58.100 0.112 0.000 1.249 2369 Y CB 0.277 38.736 38.460 -0.003 0.000 1.146 2369 Y HN 0.207 nan 8.280 nan 0.000 0.524 2370 S N 0.966 116.724 115.700 0.097 0.000 2.652 2370 S HA 0.650 5.120 4.470 0.000 0.000 0.273 2370 S C -0.906 173.576 174.600 -0.197 0.000 1.172 2370 S CA 0.130 58.327 58.200 -0.004 0.000 1.009 2370 S CB 0.679 63.877 63.200 -0.004 0.000 1.094 2370 S HN 0.606 nan 8.310 nan 0.000 0.471 2371 T N 1.135 115.629 114.554 -0.099 0.000 2.802 2371 T HA 0.727 5.077 4.350 0.000 0.000 0.311 2371 T C 1.223 175.853 174.700 -0.116 0.000 1.405 2371 T CA -0.236 61.784 62.100 -0.133 0.000 1.016 2371 T CB 0.878 69.684 68.868 -0.103 0.000 1.352 2371 T HN 0.948 nan 8.240 nan 0.000 0.498 2372 A N 1.316 124.071 122.820 -0.110 0.000 1.873 2372 A HA -0.033 4.287 4.320 0.000 0.000 0.218 2372 A C 2.340 179.859 177.584 -0.109 0.000 1.193 2372 A CA 2.840 54.812 52.037 -0.109 0.000 0.629 2372 A CB -1.895 17.070 19.000 -0.058 0.000 0.826 2372 A HN 0.973 nan 8.150 nan 0.000 0.447 2373 T N 0.028 114.540 114.554 -0.070 0.000 2.624 2373 T HA -0.177 4.173 4.350 0.000 0.000 0.268 2373 T C 2.288 176.872 174.700 -0.192 0.000 1.041 2373 T CA 1.978 64.031 62.100 -0.077 0.000 1.159 2373 T CB -0.417 68.425 68.868 -0.044 0.000 0.863 2373 T HN 0.523 nan 8.240 nan 0.000 0.434 2374 S N 0.681 116.254 115.700 -0.212 0.000 2.359 2374 S HA -0.136 4.334 4.470 0.000 0.000 0.224 2374 S C 2.384 176.724 174.600 -0.432 0.000 1.035 2374 S CA 1.692 59.675 58.200 -0.361 0.000 1.018 2374 S CB -0.732 62.361 63.200 -0.177 0.000 0.876 2374 S HN 0.567 nan 8.310 nan 0.000 0.448 2375 T N 2.624 117.030 114.554 -0.246 0.000 2.788 2375 T HA 0.012 4.362 4.350 0.000 0.000 0.268 2375 T C 1.730 176.208 174.700 -0.370 0.000 1.044 2375 T CA 0.937 62.865 62.100 -0.287 0.000 1.139 2375 T CB -0.384 68.186 68.868 -0.496 0.000 0.867 2375 T HN 0.233 nan 8.240 nan 0.000 0.454 2376 L N 0.849 121.884 121.223 -0.312 0.000 2.141 2376 L HA -0.089 4.251 4.340 0.000 0.000 0.209 2376 L C 2.779 179.466 176.870 -0.305 0.000 1.094 2376 L CA 0.909 55.601 54.840 -0.246 0.000 0.763 2376 L CB -0.438 41.576 42.059 -0.076 0.000 0.908 2376 L HN 0.258 nan 8.230 nan 0.000 0.437 2377 S N -1.081 114.380 115.700 -0.398 0.000 2.368 2377 S HA -0.176 4.294 4.470 0.000 0.000 0.224 2377 S C 1.583 176.005 174.600 -0.297 0.000 1.029 2377 S CA 1.229 59.166 58.200 -0.438 0.000 0.988 2377 S CB -0.455 62.379 63.200 -0.611 0.000 0.838 2377 S HN 0.472 nan 8.310 nan 0.000 0.462 2378 W N 1.550 122.640 121.300 -0.351 0.000 2.388 2378 W HA 0.148 4.808 4.660 0.000 0.000 0.294 2378 W C 1.088 177.402 176.519 -0.343 0.000 1.212 2378 W CA 0.090 57.152 57.345 -0.473 0.000 1.271 2378 W CB -0.197 29.026 29.460 -0.394 0.000 1.126 2378 W HN 0.175 nan 8.180 nan 0.000 0.535 2379 L N 0.472 121.605 121.223 -0.151 0.000 2.848 2379 L HA 0.116 4.456 4.340 0.000 0.000 0.240 2379 L C 1.694 178.510 176.870 -0.090 0.000 1.232 2379 L CA -0.449 54.246 54.840 -0.242 0.000 1.031 2379 L CB -0.311 41.340 42.059 -0.681 0.000 1.338 2379 L HN -0.125 nan 8.230 nan 0.000 0.509 2380 V N 0.563 120.450 119.914 -0.044 0.000 2.490 2380 V HA -0.218 3.902 4.120 0.000 0.000 0.250 2380 V C 2.150 178.294 176.094 0.083 0.000 1.061 2380 V CA 1.815 64.123 62.300 0.014 0.000 1.064 2380 V CB -0.185 31.591 31.823 -0.078 0.000 0.670 2380 V HN 0.562 nan 8.190 nan 0.000 0.461 2381 R N -0.484 120.029 120.500 0.021 0.000 2.404 2381 R HA 0.362 4.702 4.340 0.000 0.000 0.236 2381 R C -0.408 175.927 176.300 0.057 0.000 1.044 2381 R CA 0.115 56.223 56.100 0.014 0.000 1.133 2381 R CB -0.064 30.205 30.300 -0.052 0.000 1.142 2381 R HN 0.458 nan 8.270 nan 0.000 0.512 2382 I N 0.471 121.116 120.570 0.125 0.000 2.569 2382 I HA 0.172 4.342 4.170 0.000 0.000 0.290 2382 I C -0.226 175.978 176.117 0.145 0.000 1.088 2382 I CA -1.002 60.391 61.300 0.155 0.000 1.047 2382 I CB 2.291 40.425 38.000 0.222 0.000 1.237 2382 I HN -0.081 nan 8.210 nan 0.000 0.421 2383 E N 6.898 127.056 120.200 -0.070 0.000 2.373 2383 E HA 0.186 4.536 4.350 0.000 0.000 0.263 2383 E C -1.804 174.364 176.600 -0.719 0.000 1.073 2383 E CA -1.511 54.627 56.400 -0.437 0.000 0.894 2383 E CB 0.849 30.136 29.700 -0.689 0.000 1.008 2383 E HN 0.359 nan 8.360 nan 0.000 0.420 2384 P HA 0.061 nan 4.420 nan 0.000 0.261 2384 P C 0.890 177.970 177.300 -0.366 0.000 1.268 2384 P CA 0.250 62.902 63.100 -0.747 0.000 0.833 2384 P CB 0.051 31.388 31.700 -0.606 0.000 1.231 2385 F N 1.085 120.993 119.950 -0.070 0.000 2.120 2385 F HA -0.205 4.322 4.527 0.000 0.000 0.300 2385 F C 2.460 178.364 175.800 0.172 0.000 1.095 2385 F CA 1.812 59.840 58.000 0.047 0.000 1.249 2385 F CB -2.002 36.991 39.000 -0.013 0.000 0.995 2385 F HN -0.061 nan 8.300 nan 0.000 0.480 2386 T N -0.866 113.856 114.554 0.279 0.000 2.607 2386 T HA -0.220 4.130 4.350 0.000 0.000 0.267 2386 T C 1.981 176.815 174.700 0.223 0.000 1.049 2386 T CA 2.174 64.460 62.100 0.309 0.000 1.162 2386 T CB -0.817 68.200 68.868 0.248 0.000 0.863 2386 T HN 0.278 nan 8.240 nan 0.000 0.424 2387 T N 1.745 116.350 114.554 0.084 0.000 2.746 2387 T HA -0.051 4.299 4.350 0.000 0.000 0.267 2387 T C 1.563 176.284 174.700 0.035 0.000 1.039 2387 T CA 1.133 63.238 62.100 0.009 0.000 1.142 2387 T CB -0.603 68.251 68.868 -0.023 0.000 0.866 2387 T HN 0.355 nan 8.240 nan 0.000 0.444 2388 F N 1.438 121.383 119.950 -0.009 0.000 2.091 2388 F HA -0.164 4.363 4.527 0.000 0.000 0.299 2388 F C 1.907 177.754 175.800 0.077 0.000 1.103 2388 F CA 1.312 59.324 58.000 0.020 0.000 1.228 2388 F CB -0.529 38.495 39.000 0.041 0.000 0.984 2388 F HN 0.157 nan 8.300 nan 0.000 0.477 2389 F N 0.396 120.435 119.950 0.148 0.000 2.102 2389 F HA -0.192 4.335 4.527 0.000 0.000 0.298 2389 F C 1.891 177.625 175.800 -0.110 0.000 1.105 2389 F CA 1.465 59.500 58.000 0.057 0.000 1.239 2389 F CB -0.968 38.138 39.000 0.176 0.000 0.991 2389 F HN -0.007 nan 8.300 nan 0.000 0.474 2390 L N 1.226 122.273 121.223 -0.292 0.000 1.989 2390 L HA -0.286 4.054 4.340 0.000 0.000 0.211 2390 L C 2.323 178.932 176.870 -0.435 0.000 1.071 2390 L CA 1.834 56.373 54.840 -0.501 0.000 0.749 2390 L CB -1.585 40.220 42.059 -0.423 0.000 0.890 2390 L HN 0.199 nan 8.230 nan 0.000 0.431 2391 N N -0.203 118.292 118.700 -0.341 0.000 2.149 2391 N HA -0.135 4.605 4.740 0.000 0.000 0.188 2391 N C 1.432 176.721 175.510 -0.367 0.000 1.019 2391 N CA 1.445 54.305 53.050 -0.317 0.000 0.857 2391 N CB -0.292 38.023 38.487 -0.285 0.000 0.997 2391 N HN 0.376 nan 8.380 nan 0.000 0.426 2392 A N -0.175 122.359 122.820 -0.477 0.000 2.310 2392 A HA 0.137 4.458 4.320 0.000 0.000 0.230 2392 A C 0.678 178.027 177.584 -0.391 0.000 1.294 2392 A CA 0.121 51.903 52.037 -0.426 0.000 0.898 2392 A CB -0.388 18.309 19.000 -0.506 0.000 0.917 2392 A HN 0.163 nan 8.150 nan 0.000 0.491 2393 N N 0.067 118.494 118.700 -0.456 0.000 2.595 2393 N HA 0.216 4.956 4.740 0.000 0.000 0.291 2393 N C -1.046 174.266 175.510 -0.330 0.000 1.706 2393 N CA -0.083 52.687 53.050 -0.466 0.000 0.867 2393 N CB 0.154 38.107 38.487 -0.889 0.000 1.414 2393 N HN 0.169 nan 8.380 nan 0.000 0.492 2394 D N -0.329 119.923 120.400 -0.246 0.000 2.811 2394 D HA -0.176 4.464 4.640 0.000 0.000 0.231 2394 D C 1.139 177.321 176.300 -0.196 0.000 1.157 2394 D CA 1.776 55.665 54.000 -0.185 0.000 0.716 2394 D CB -1.203 39.513 40.800 -0.139 0.000 1.077 2394 D HN 0.621 nan 8.370 nan 0.000 0.428 2395 G N -1.727 106.922 108.800 -0.251 0.000 2.212 2395 G HA2 -0.391 3.569 3.960 0.000 0.000 0.266 2395 G HA3 -0.391 3.569 3.960 0.000 0.000 0.266 2395 G C 0.414 175.140 174.900 -0.290 0.000 0.978 2395 G CA 0.837 45.788 45.100 -0.248 0.000 0.632 2395 G HN 0.464 nan 8.290 nan 0.000 0.537 2396 K N -0.469 119.758 120.400 -0.288 0.000 2.422 2396 K HA 0.724 5.044 4.320 0.000 0.000 0.251 2396 K C 0.356 176.821 176.600 -0.226 0.000 0.933 2396 K CA -1.036 55.097 56.287 -0.258 0.000 0.798 2396 K CB 0.658 33.090 32.500 -0.113 0.000 1.238 2396 K HN -0.035 nan 8.250 nan 0.000 0.428 2397 F N 0.663 120.604 119.950 -0.014 0.000 2.705 2397 F HA -0.013 4.514 4.527 0.000 0.000 0.311 2397 F C 1.213 177.093 175.800 0.134 0.000 1.227 2397 F CA 0.715 58.786 58.000 0.119 0.000 1.356 2397 F CB 0.238 39.331 39.000 0.154 0.000 1.124 2397 F HN 0.459 nan 8.300 nan 0.000 0.605 2398 D N -1.406 119.330 120.400 0.560 0.000 2.272 2398 D HA 0.124 4.764 4.640 0.000 0.000 0.247 2398 D C -0.852 175.624 176.300 0.294 0.000 0.990 2398 D CA -0.594 53.631 54.000 0.376 0.000 0.931 2398 D CB 0.534 41.616 40.800 0.469 0.000 1.195 2398 D HN 0.343 nan 8.370 nan 0.000 0.477 2399 H N 2.858 121.998 119.070 0.117 0.000 3.192 2399 H HA 0.031 4.587 4.556 0.000 0.000 0.295 2399 H C -1.690 173.663 175.328 0.042 0.000 0.943 2399 H CA -1.208 54.880 56.048 0.067 0.000 1.416 2399 H CB 0.697 30.489 29.762 0.050 0.000 1.434 2399 H HN 0.233 nan 8.280 nan 0.000 0.565 2400 P HA -0.215 nan 4.420 nan 0.000 0.219 2400 P C 0.757 177.930 177.300 -0.212 0.000 1.151 2400 P CA 1.847 64.895 63.100 -0.087 0.000 0.850 2400 P CB 0.318 31.991 31.700 -0.047 0.000 0.784 2401 D N -1.869 118.252 120.400 -0.465 0.000 2.363 2401 D HA -0.021 4.619 4.640 0.000 0.000 0.220 2401 D C 1.785 177.975 176.300 -0.182 0.000 0.994 2401 D CA 0.643 54.438 54.000 -0.341 0.000 0.890 2401 D CB -0.024 40.502 40.800 -0.457 0.000 0.906 2401 D HN 0.348 nan 8.370 nan 0.000 0.530 2402 R N 0.148 120.570 120.500 -0.130 0.000 2.257 2402 R HA 0.078 4.418 4.340 0.000 0.000 0.195 2402 R C 0.789 177.067 176.300 -0.036 0.000 0.921 2402 R CA 0.298 56.373 56.100 -0.040 0.000 1.069 2402 R CB 0.082 30.401 30.300 0.030 0.000 1.115 2402 R HN 0.077 nan 8.270 nan 0.000 0.571 2403 T N 0.644 115.177 114.554 -0.034 0.000 2.907 2403 T HA 0.125 4.475 4.350 0.000 0.000 0.298 2403 T C 0.032 174.716 174.700 -0.026 0.000 1.017 2403 T CA -0.663 61.404 62.100 -0.055 0.000 1.118 2403 T CB 0.749 69.585 68.868 -0.054 0.000 0.948 2403 T HN 0.002 nan 8.240 nan 0.000 0.531 2404 F N 3.746 123.581 119.950 -0.192 0.000 2.477 2404 F HA 0.160 4.687 4.527 0.000 0.000 0.392 2404 F C 1.168 176.912 175.800 -0.093 0.000 1.028 2404 F CA -0.419 57.505 58.000 -0.126 0.000 1.069 2404 F CB -0.419 38.516 39.000 -0.109 0.000 0.970 2404 F HN 0.730 nan 8.300 nan 0.000 0.540 2405 S N 1.840 117.378 115.700 -0.269 0.000 2.670 2405 S HA 0.225 4.695 4.470 0.000 0.000 0.241 2405 S C 0.468 174.830 174.600 -0.396 0.000 1.077 2405 S CA 0.230 58.207 58.200 -0.373 0.000 0.899 2405 S CB 0.088 63.169 63.200 -0.198 0.000 0.835 2405 S HN 0.571 nan 8.310 nan 0.000 0.481 2406 S N 0.487 116.052 115.700 -0.226 0.000 2.557 2406 S HA 0.545 5.015 4.470 0.000 0.000 0.291 2406 S C 0.497 175.156 174.600 0.100 0.000 1.116 2406 S CA -0.332 57.801 58.200 -0.112 0.000 0.992 2406 S CB 1.827 65.006 63.200 -0.035 0.000 1.028 2406 S HN 0.340 nan 8.310 nan 0.000 0.484 2407 V N 5.598 125.548 119.914 0.061 0.000 2.427 2407 V HA 0.059 4.180 4.120 0.000 0.000 0.248 2407 V C 2.226 178.382 176.094 0.103 0.000 1.051 2407 V CA 2.678 65.106 62.300 0.214 0.000 1.048 2407 V CB -0.826 30.942 31.823 -0.092 0.000 0.666 2407 V HN 0.984 nan 8.190 nan 0.000 0.456 2408 A N 0.187 123.035 122.820 0.048 0.000 1.968 2408 A HA -0.153 4.167 4.320 0.000 0.000 0.217 2408 A C 2.394 180.092 177.584 0.190 0.000 1.169 2408 A CA 1.669 53.787 52.037 0.135 0.000 0.638 2408 A CB -0.627 18.469 19.000 0.160 0.000 0.812 2408 A HN 0.620 nan 8.150 nan 0.000 0.446 2409 R N -0.284 120.306 120.500 0.149 0.000 2.115 2409 R HA -0.053 4.287 4.340 0.000 0.000 0.226 2409 R C 2.059 178.464 176.300 0.174 0.000 1.100 2409 R CA 1.573 57.752 56.100 0.132 0.000 0.980 2409 R CB -0.216 30.131 30.300 0.080 0.000 0.875 2409 R HN 0.445 nan 8.270 nan 0.000 0.445 2410 S N 0.269 116.149 115.700 0.299 0.000 2.368 2410 S HA -0.158 4.312 4.470 0.000 0.000 0.224 2410 S C 1.287 176.045 174.600 0.264 0.000 1.029 2410 S CA 1.037 59.473 58.200 0.394 0.000 0.988 2410 S CB -0.445 63.214 63.200 0.764 0.000 0.838 2410 S HN 0.550 nan 8.310 nan 0.000 0.462 2411 W N 3.002 124.282 121.300 -0.034 0.000 2.374 2411 W HA -0.125 4.535 4.660 0.000 0.000 0.288 2411 W C 1.887 178.292 176.519 -0.191 0.000 1.218 2411 W CA 1.058 58.163 57.345 -0.400 0.000 1.245 2411 W CB -0.213 29.016 29.460 -0.385 0.000 1.126 2411 W HN 0.280 nan 8.180 nan 0.000 0.545 2412 R N -0.349 120.119 120.500 -0.053 0.000 2.066 2412 R HA -0.119 4.221 4.340 0.000 0.000 0.232 2412 R C 2.223 178.412 176.300 -0.184 0.000 1.131 2412 R CA 2.272 58.296 56.100 -0.128 0.000 0.955 2412 R CB -1.062 29.247 30.300 0.015 0.000 0.851 2412 R HN 0.034 nan 8.270 nan 0.000 0.432 2413 T N 0.942 115.442 114.554 -0.089 0.000 2.803 2413 T HA -0.117 4.233 4.350 0.000 0.000 0.269 2413 T C 1.819 176.448 174.700 -0.119 0.000 1.052 2413 T CA 1.699 63.761 62.100 -0.064 0.000 1.136 2413 T CB -0.189 68.680 68.868 0.001 0.000 0.864 2413 T HN 0.386 nan 8.240 nan 0.000 0.467 2414 S N 0.489 116.051 115.700 -0.230 0.000 2.607 2414 S HA 0.089 4.559 4.470 0.000 0.000 0.224 2414 S C 1.586 175.913 174.600 -0.454 0.000 0.969 2414 S CA 0.096 58.117 58.200 -0.298 0.000 0.927 2414 S CB -0.023 62.948 63.200 -0.381 0.000 0.772 2414 S HN 0.321 nan 8.310 nan 0.000 0.533 2415 Q N -0.056 119.472 119.800 -0.454 0.000 2.342 2415 Q HA 0.316 4.656 4.340 0.000 0.000 0.261 2415 Q C 1.665 177.568 176.000 -0.162 0.000 0.841 2415 Q CA 0.093 55.661 55.803 -0.392 0.000 0.969 2415 Q CB 0.223 28.620 28.738 -0.569 0.000 1.136 2415 Q HN 0.418 nan 8.270 nan 0.000 0.528 2416 R N 0.834 121.258 120.500 -0.127 0.000 2.072 2416 R HA 0.132 4.472 4.340 0.000 0.000 0.214 2416 R C 0.190 176.484 176.300 -0.009 0.000 1.168 2416 R CA 0.217 56.284 56.100 -0.055 0.000 1.020 2416 R CB -0.588 29.680 30.300 -0.054 0.000 0.914 2416 R HN 0.147 nan 8.270 nan 0.000 0.449 2417 D N 0.822 121.221 120.400 -0.001 0.000 2.493 2417 D HA -0.070 4.570 4.640 0.000 0.000 0.240 2417 D C 1.071 177.447 176.300 0.126 0.000 1.142 2417 D CA 0.586 54.611 54.000 0.042 0.000 0.872 2417 D CB 1.154 41.977 40.800 0.038 0.000 1.173 2417 D HN 0.030 nan 8.370 nan 0.000 0.467 2418 T N 0.745 115.386 114.554 0.146 0.000 2.915 2418 T HA -0.112 4.238 4.350 0.000 0.000 0.269 2418 T C 1.382 176.324 174.700 0.403 0.000 1.071 2418 T CA 1.326 63.606 62.100 0.300 0.000 1.132 2418 T CB 0.074 69.080 68.868 0.229 0.000 0.878 2418 T HN 0.285 nan 8.240 nan 0.000 0.479 2419 S N 0.560 116.410 115.700 0.249 0.000 2.556 2419 S HA 0.176 4.646 4.470 0.000 0.000 0.216 2419 S C 0.259 174.952 174.600 0.156 0.000 0.970 2419 S CA -0.405 57.924 58.200 0.216 0.000 0.912 2419 S CB 0.228 63.520 63.200 0.153 0.000 0.790 2419 S HN 0.501 nan 8.310 nan 0.000 0.504 2420 D N 2.345 122.827 120.400 0.137 0.000 2.460 2420 D HA 0.288 4.928 4.640 0.000 0.000 0.232 2420 D C 0.106 176.441 176.300 0.058 0.000 1.079 2420 D CA -0.175 53.874 54.000 0.081 0.000 0.864 2420 D CB 1.514 42.341 40.800 0.046 0.000 1.048 2420 D HN 0.165 nan 8.370 nan 0.000 0.523 2421 V N 0.900 120.841 119.914 0.045 0.000 3.078 2421 V HA 0.334 4.454 4.120 0.000 0.000 0.344 2421 V C 0.634 176.799 176.094 0.119 0.000 1.409 2421 V CA -0.767 61.516 62.300 -0.028 0.000 1.146 2421 V CB -0.383 31.272 31.823 -0.281 0.000 1.126 2421 V HN 0.182 nan 8.190 nan 0.000 0.513 2422 K N 1.441 121.967 120.400 0.210 0.000 2.542 2422 K HA 0.190 4.510 4.320 0.000 0.000 0.276 2422 K C 0.071 176.990 176.600 0.532 0.000 0.963 2422 K CA 0.666 57.171 56.287 0.363 0.000 0.975 2422 K CB 0.472 33.216 32.500 0.407 0.000 0.901 2422 K HN 0.513 nan 8.250 nan 0.000 0.506 2423 E N 1.135 121.614 120.200 0.465 0.000 2.339 2423 E HA 0.322 4.672 4.350 0.000 0.000 0.262 2423 E C -0.862 175.719 176.600 -0.031 0.000 0.934 2423 E CA -0.746 55.856 56.400 0.337 0.000 0.802 2423 E CB 0.803 30.669 29.700 0.277 0.000 1.275 2423 E HN 0.168 nan 8.360 nan 0.000 0.427 2424 L N 1.091 122.008 121.223 -0.510 0.000 2.505 2424 L HA 0.412 4.752 4.340 0.000 0.000 0.226 2424 L C 0.033 176.698 176.870 -0.343 0.000 1.211 2424 L CA -0.112 54.176 54.840 -0.919 0.000 0.828 2424 L CB -0.004 41.318 42.059 -1.228 0.000 1.331 2424 L HN 0.588 nan 8.230 nan 0.000 0.513 2425 I N -0.512 119.851 120.570 -0.344 0.000 2.892 2425 I HA 0.383 4.553 4.170 0.000 0.000 0.306 2425 I C -1.724 174.401 176.117 0.013 0.000 1.078 2425 I CA -1.913 59.402 61.300 0.026 0.000 1.032 2425 I CB 1.695 39.755 38.000 0.100 0.000 1.229 2425 I HN 0.375 nan 8.210 nan 0.000 0.435 2426 P HA -0.189 nan 4.420 nan 0.000 0.215 2426 P C 1.012 178.390 177.300 0.129 0.000 1.163 2426 P CA 1.500 64.382 63.100 -0.364 0.000 0.894 2426 P CB 0.232 31.931 31.700 -0.002 0.000 0.791 2427 E N -1.079 119.137 120.200 0.026 0.000 2.136 2427 E HA -0.233 4.117 4.350 0.000 0.000 0.208 2427 E C 1.592 178.003 176.600 -0.315 0.000 1.035 2427 E CA 1.342 57.431 56.400 -0.520 0.000 0.838 2427 E CB -1.430 28.065 29.700 -0.342 0.000 0.748 2427 E HN 0.258 nan 8.360 nan 0.000 0.459 2428 F N -1.162 118.633 119.950 -0.257 0.000 2.500 2428 F HA -0.186 4.341 4.527 0.000 0.000 0.294 2428 F C 0.677 176.147 175.800 -0.550 0.000 1.101 2428 F CA 1.030 58.850 58.000 -0.300 0.000 1.484 2428 F CB -0.121 38.528 39.000 -0.586 0.000 1.110 2428 F HN 0.123 nan 8.300 nan 0.000 0.603 2429 Y N -2.713 117.630 120.300 0.072 0.000 2.717 2429 Y HA 0.134 4.684 4.550 0.000 0.000 0.250 2429 Y C 0.379 176.357 175.900 0.130 0.000 1.149 2429 Y CA -0.553 57.613 58.100 0.109 0.000 1.211 2429 Y CB -0.093 38.517 38.460 0.250 0.000 1.289 2429 Y HN 0.196 nan 8.280 nan 0.000 0.552 2430 Y N -3.441 116.902 120.300 0.072 0.000 2.937 2430 Y HA 0.321 4.871 4.550 0.000 0.000 0.316 2430 Y C -1.312 174.603 175.900 0.025 0.000 0.925 2430 Y CA -1.056 57.042 58.100 -0.003 0.000 1.110 2430 Y CB -0.125 38.283 38.460 -0.087 0.000 1.436 2430 Y HN -0.082 nan 8.280 nan 0.000 0.573 2431 L N 5.344 126.293 121.223 -0.457 0.000 2.387 2431 L HA 0.611 4.951 4.340 0.000 0.000 0.259 2431 L C -1.679 175.187 176.870 -0.006 0.000 1.050 2431 L CA -2.025 52.667 54.840 -0.247 0.000 0.922 2431 L CB 1.005 42.801 42.059 -0.439 0.000 1.280 2431 L HN -0.133 nan 8.230 nan 0.000 0.449 2432 P HA -0.190 nan 4.420 nan 0.000 0.215 2432 P C 0.352 177.756 177.300 0.173 0.000 1.157 2432 P CA 0.948 64.104 63.100 0.094 0.000 0.874 2432 P CB 0.246 31.961 31.700 0.025 0.000 0.790 2436 V N -1.684 118.248 119.914 0.030 0.000 3.040 2436 V HA 0.638 4.758 4.120 0.000 0.000 0.312 2436 V C -0.478 175.597 176.094 -0.032 0.000 1.115 2436 V CA -0.844 61.451 62.300 -0.008 0.000 0.998 2436 V CB 2.129 33.962 31.823 0.016 0.000 1.042 2436 V HN 0.121 nan 8.190 nan 0.000 0.433 2437 N N 2.131 120.804 118.700 -0.046 0.000 2.402 2437 N HA 0.226 4.966 4.740 0.000 0.000 0.252 2437 N C 0.323 175.805 175.510 -0.047 0.000 1.118 2437 N CA 0.276 53.295 53.050 -0.053 0.000 0.945 2437 N CB 1.247 39.695 38.487 -0.066 0.000 1.147 2437 N HN 0.769 nan 8.380 nan 0.000 0.495 2438 S N 2.424 118.104 115.700 -0.033 0.000 2.622 2438 S HA 0.153 4.623 4.470 0.000 0.000 0.236 2438 S C 0.431 174.987 174.600 -0.073 0.000 0.956 2438 S CA -0.638 57.539 58.200 -0.038 0.000 0.971 2438 S CB -0.252 62.950 63.200 0.004 0.000 0.782 2438 S HN 0.566 nan 8.310 nan 0.000 0.468 2439 N N 1.824 120.465 118.700 -0.097 0.000 2.371 2439 N HA 0.143 4.883 4.740 0.000 0.000 0.243 2439 N C 0.832 176.183 175.510 -0.265 0.000 1.287 2439 N CA 0.373 53.354 53.050 -0.115 0.000 0.911 2439 N CB 0.454 38.894 38.487 -0.077 0.000 1.142 2439 N HN 0.351 nan 8.380 nan 0.000 0.451 2440 G N -0.401 108.269 108.800 -0.217 0.000 2.553 2440 G HA2 0.299 4.259 3.960 0.000 0.000 0.278 2440 G HA3 0.299 4.259 3.960 0.000 0.000 0.278 2440 G C -0.833 173.795 174.900 -0.454 0.000 1.349 2440 G CA -0.078 44.842 45.100 -0.300 0.000 1.037 2440 G HN 0.480 nan 8.290 nan 0.000 0.508 2441 Y N -1.643 118.672 120.300 0.025 0.000 2.567 2441 Y HA 0.307 4.857 4.550 0.000 0.000 0.333 2441 Y C 0.933 176.845 175.900 0.019 0.000 1.106 2441 Y CA -0.279 57.833 58.100 0.020 0.000 1.157 2441 Y CB 1.538 40.008 38.460 0.016 0.000 1.277 2441 Y HN 0.754 nan 8.280 nan 0.000 0.490 2442 N N 0.335 119.153 118.700 0.197 0.000 2.754 2442 N HA -0.217 4.523 4.740 0.000 0.000 0.248 2442 N C -0.524 175.029 175.510 0.071 0.000 1.093 2442 N CA 0.371 53.487 53.050 0.111 0.000 0.699 2442 N CB -1.245 37.302 38.487 0.099 0.000 1.016 2442 N HN 0.493 nan 8.380 nan 0.000 0.552 2443 L N -0.172 121.086 121.223 0.058 0.000 2.741 2443 L HA 0.255 4.596 4.340 0.000 0.000 0.237 2443 L C 1.328 178.219 176.870 0.035 0.000 1.178 2443 L CA -0.079 54.783 54.840 0.037 0.000 0.973 2443 L CB -0.045 42.026 42.059 0.022 0.000 1.255 2443 L HN 0.334 nan 8.230 nan 0.000 0.498 2444 G N 0.736 109.560 108.800 0.040 0.000 2.491 2444 G HA2 -0.150 3.810 3.960 0.000 0.000 0.246 2444 G HA3 -0.150 3.810 3.960 0.000 0.000 0.246 2444 G C 0.460 175.379 174.900 0.031 0.000 0.174 2444 G CA 0.660 45.781 45.100 0.034 0.000 1.114 2444 G HN 0.177 nan 8.290 nan 0.000 0.515 2445 V N 3.677 123.613 119.914 0.036 0.000 3.305 2445 V HA 0.217 4.337 4.120 0.000 0.000 0.247 2445 V C 1.789 177.907 176.094 0.040 0.000 1.426 2445 V CA 0.719 63.043 62.300 0.040 0.000 1.162 2445 V CB 0.147 32.003 31.823 0.055 0.000 0.961 2445 V HN 0.683 nan 8.190 nan 0.000 0.449 2446 R N 2.503 123.025 120.500 0.037 0.000 3.572 2446 R HA -0.020 4.320 4.340 0.000 0.000 0.186 2446 R C 1.131 177.447 176.300 0.026 0.000 1.727 2446 R CA 0.527 56.647 56.100 0.032 0.000 1.267 2446 R CB -0.084 30.233 30.300 0.028 0.000 1.318 2446 R HN 0.798 nan 8.270 nan 0.000 0.718 2447 E N 1.022 121.237 120.200 0.025 0.000 2.364 2447 E HA -0.011 4.339 4.350 0.000 0.000 0.203 2447 E C 0.192 176.802 176.600 0.017 0.000 0.888 2447 E CA 0.456 56.867 56.400 0.018 0.000 0.989 2447 E CB 0.436 30.145 29.700 0.016 0.000 0.985 2447 E HN 0.649 nan 8.360 nan 0.000 0.499 2448 D N -0.121 120.292 120.400 0.021 0.000 2.092 2448 D HA -0.112 4.528 4.640 0.000 0.000 0.775 2448 D C -0.135 176.183 176.300 0.030 0.000 0.464 2448 D CA -0.209 53.803 54.000 0.020 0.000 1.291 2448 D CB -0.942 39.864 40.800 0.010 0.000 1.165 2448 D HN -0.031 nan 8.370 nan 0.000 0.355 2449 E N 3.223 123.444 120.200 0.034 0.000 2.614 2449 E HA 0.213 4.563 4.350 0.000 0.000 0.245 2449 E C 0.609 177.261 176.600 0.087 0.000 1.039 2449 E CA 0.022 56.452 56.400 0.049 0.000 0.948 2449 E CB 0.685 30.411 29.700 0.044 0.000 0.937 2449 E HN 0.275 nan 8.360 nan 0.000 0.498 2450 V N 2.880 122.863 119.914 0.115 0.000 2.752 2450 V HA 0.112 4.232 4.120 0.000 0.000 0.306 2450 V C 0.324 176.573 176.094 0.258 0.000 1.099 2450 V CA -0.327 62.076 62.300 0.173 0.000 1.240 2450 V CB 0.666 32.625 31.823 0.227 0.000 0.887 2450 V HN 0.379 nan 8.190 nan 0.000 0.499 2451 V N 4.870 124.864 119.914 0.132 0.000 2.925 2451 V HA 0.671 4.791 4.120 0.000 0.000 0.311 2451 V C -0.377 175.606 176.094 -0.184 0.000 1.104 2451 V CA -0.516 61.813 62.300 0.049 0.000 0.954 2451 V CB 2.567 34.416 31.823 0.043 0.000 1.022 2451 V HN 0.929 nan 8.190 nan 0.000 0.427 2452 V N 6.793 126.460 119.914 -0.412 0.000 2.347 2452 V HA 0.568 4.688 4.120 0.000 0.000 0.280 2452 V C 0.108 176.049 176.094 -0.255 0.000 1.021 2452 V CA -0.649 61.380 62.300 -0.452 0.000 0.847 2452 V CB 1.176 32.550 31.823 -0.749 0.000 0.990 2452 V HN 0.894 nan 8.190 nan 0.000 0.444 2453 N N 2.042 120.627 118.700 -0.192 0.000 2.518 2453 N HA 0.339 5.079 4.740 0.000 0.000 0.284 2453 N C -0.610 174.806 175.510 -0.157 0.000 1.230 2453 N CA -0.755 52.212 53.050 -0.139 0.000 0.941 2453 N CB 0.972 39.401 38.487 -0.097 0.000 1.219 2453 N HN 0.556 nan 8.380 nan 0.000 0.560 2454 D N 0.384 120.712 120.400 -0.120 0.000 2.703 2454 D HA -0.064 4.576 4.640 0.000 0.000 0.225 2454 D C 0.053 176.244 176.300 -0.182 0.000 1.119 2454 D CA 0.488 54.413 54.000 -0.124 0.000 0.845 2454 D CB 0.469 41.219 40.800 -0.083 0.000 1.182 2454 D HN 0.047 nan 8.370 nan 0.000 0.493 2455 V N 3.156 122.933 119.914 -0.228 0.000 2.655 2455 V HA -0.031 4.089 4.120 0.000 0.000 0.300 2455 V C 0.400 176.354 176.094 -0.233 0.000 1.044 2455 V CA -0.307 61.785 62.300 -0.346 0.000 1.095 2455 V CB 0.876 32.422 31.823 -0.461 0.000 0.952 2455 V HN 0.505 nan 8.190 nan 0.000 0.485 2456 D N 5.352 125.611 120.400 -0.236 0.000 2.295 2456 D HA 0.348 4.988 4.640 0.000 0.000 0.248 2456 D C -0.134 176.024 176.300 -0.237 0.000 1.154 2456 D CA -0.378 53.507 54.000 -0.193 0.000 0.857 2456 D CB 0.758 41.469 40.800 -0.149 0.000 1.117 2456 D HN 0.309 nan 8.370 nan 0.000 0.468 2457 L N 1.811 122.866 121.223 -0.281 0.000 2.456 2457 L HA 0.418 4.759 4.340 0.000 0.000 0.257 2457 L C -1.945 174.692 176.870 -0.389 0.000 1.162 2457 L CA -2.076 52.510 54.840 -0.423 0.000 0.808 2457 L CB 0.012 41.804 42.059 -0.445 0.000 1.136 2457 L HN 0.151 nan 8.230 nan 0.000 0.466 2458 P HA 0.153 nan 4.420 nan 0.000 0.272 2458 P C -2.146 174.832 177.300 -0.537 0.000 1.230 2458 P CA -1.167 61.595 63.100 -0.564 0.000 0.788 2458 P CB 0.150 31.247 31.700 -1.005 0.000 0.949 2459 P HA -0.161 nan 4.420 nan 0.000 0.217 2459 P C 0.853 178.121 177.300 -0.054 0.000 1.148 2459 P CA 1.447 64.477 63.100 -0.116 0.000 0.828 2459 P CB -0.394 31.308 31.700 0.004 0.000 0.783 2460 W N -1.554 119.762 121.300 0.028 0.000 3.204 2460 W HA 0.469 5.129 4.660 0.000 0.000 0.249 2460 W C -0.363 176.178 176.519 0.038 0.000 1.322 2460 W CA -0.002 57.355 57.345 0.021 0.000 1.593 2460 W CB -0.710 28.752 29.460 0.003 0.000 1.122 2460 W HN -0.080 nan 8.180 nan 0.000 0.710 2461 A N 2.068 124.779 122.820 -0.183 0.000 2.586 2461 A HA 0.346 4.666 4.320 0.000 0.000 0.320 2461 A C 1.108 178.622 177.584 -0.118 0.000 1.281 2461 A CA -0.641 51.318 52.037 -0.130 0.000 0.775 2461 A CB 0.753 19.547 19.000 -0.344 0.000 1.122 2461 A HN -0.136 nan 8.150 nan 0.000 0.470 2462 K N 1.018 121.398 120.400 -0.033 0.000 1.977 2462 K HA -0.053 4.267 4.320 0.000 0.000 0.218 2462 K C 0.458 177.020 176.600 -0.063 0.000 1.051 2462 K CA 1.407 57.671 56.287 -0.039 0.000 0.953 2462 K CB -0.142 32.354 32.500 -0.006 0.000 0.727 2462 K HN 0.513 nan 8.250 nan 0.000 0.445 2463 K N -0.693 119.678 120.400 -0.050 0.000 2.340 2463 K HA 0.258 4.578 4.320 0.000 0.000 0.244 2463 K C -2.002 174.547 176.600 -0.084 0.000 0.973 2463 K CA -2.426 53.824 56.287 -0.061 0.000 0.828 2463 K CB 1.282 33.763 32.500 -0.032 0.000 1.226 2463 K HN -0.294 nan 8.250 nan 0.000 0.437 2464 P HA -0.250 nan 4.420 nan 0.000 0.218 2464 P C 0.519 177.742 177.300 -0.128 0.000 1.165 2464 P CA 1.752 64.739 63.100 -0.188 0.000 0.922 2464 P CB 0.340 31.974 31.700 -0.110 0.000 0.794 2465 E N -0.879 119.284 120.200 -0.062 0.000 2.253 2465 E HA -0.213 4.137 4.350 0.000 0.000 0.202 2465 E C 1.632 178.219 176.600 -0.021 0.000 1.014 2465 E CA 1.458 57.839 56.400 -0.033 0.000 0.823 2465 E CB -0.845 28.849 29.700 -0.009 0.000 0.736 2465 E HN 0.403 nan 8.360 nan 0.000 0.478 2466 D N -0.786 119.609 120.400 -0.009 0.000 2.110 2466 D HA -0.097 4.543 4.640 0.000 0.000 0.202 2466 D C 1.705 178.049 176.300 0.074 0.000 0.975 2466 D CA 0.568 54.591 54.000 0.038 0.000 0.839 2466 D CB -0.510 40.320 40.800 0.050 0.000 0.996 2466 D HN 0.146 nan 8.370 nan 0.000 0.464 2467 F N 2.147 122.005 119.950 -0.153 0.000 2.065 2467 F HA -0.264 4.263 4.527 0.000 0.000 0.298 2467 F C 2.242 177.975 175.800 -0.110 0.000 1.112 2467 F CA 1.240 59.137 58.000 -0.172 0.000 1.212 2467 F CB -0.540 38.164 39.000 -0.493 0.000 0.975 2467 F HN -0.221 nan 8.300 nan 0.000 0.476 2468 V N 0.929 120.696 119.914 -0.245 0.000 2.407 2468 V HA -0.303 3.817 4.120 0.000 0.000 0.248 2468 V C 2.605 178.616 176.094 -0.138 0.000 1.055 2468 V CA 2.235 64.376 62.300 -0.265 0.000 1.049 2468 V CB -0.831 30.908 31.823 -0.140 0.000 0.662 2468 V HN 0.349 nan 8.190 nan 0.000 0.455 2469 R N 0.082 120.542 120.500 -0.066 0.000 2.070 2469 R HA -0.129 4.211 4.340 0.000 0.000 0.233 2469 R C 2.289 178.581 176.300 -0.013 0.000 1.137 2469 R CA 1.991 58.081 56.100 -0.016 0.000 0.945 2469 R CB -0.321 29.983 30.300 0.007 0.000 0.845 2469 R HN 0.458 nan 8.270 nan 0.000 0.430 2470 I N 1.089 121.656 120.570 -0.005 0.000 2.286 2470 I HA -0.265 3.905 4.170 0.000 0.000 0.248 2470 I C 2.168 178.241 176.117 -0.074 0.000 1.115 2470 I CA 1.121 62.414 61.300 -0.012 0.000 1.392 2470 I CB -0.466 37.586 38.000 0.087 0.000 1.065 2470 I HN 0.308 nan 8.210 nan 0.000 0.418 2471 N N 0.972 119.569 118.700 -0.172 0.000 2.058 2471 N HA -0.164 4.576 4.740 0.000 0.000 0.191 2471 N C 1.248 176.859 175.510 0.167 0.000 1.037 2471 N CA 0.945 53.886 53.050 -0.183 0.000 0.848 2471 N CB -0.103 37.989 38.487 -0.657 0.000 1.021 2471 N HN 0.083 nan 8.380 nan 0.000 0.422 2475 L N 0.677 122.048 121.223 0.247 0.000 2.141 2475 L HA 0.101 4.441 4.340 0.000 0.000 0.209 2475 L C 1.286 178.251 176.870 0.157 0.000 1.094 2475 L CA 2.559 57.495 54.840 0.159 0.000 0.763 2475 L CB -0.160 41.883 42.059 -0.027 0.000 0.908 2475 L HN 0.362 nan 8.230 nan 0.000 0.437 2476 E N -0.149 120.149 120.200 0.163 0.000 2.474 2476 E HA 0.124 4.474 4.350 0.000 0.000 0.195 2476 E C 1.044 177.709 176.600 0.108 0.000 1.039 2476 E CA 0.526 57.009 56.400 0.138 0.000 0.881 2476 E CB -0.155 29.616 29.700 0.119 0.000 0.970 2476 E HN 0.638 nan 8.360 nan 0.000 0.486 2477 S N 0.586 116.373 115.700 0.144 0.000 2.598 2477 S HA 0.012 4.482 4.470 0.000 0.000 0.256 2477 S C 1.249 175.838 174.600 -0.017 0.000 1.350 2477 S CA -0.227 58.031 58.200 0.097 0.000 0.984 2477 S CB 1.334 64.682 63.200 0.247 0.000 0.930 2477 S HN -0.103 nan 8.310 nan 0.000 0.577 2478 E N 0.220 120.315 120.200 -0.175 0.000 2.158 2478 E HA 0.081 4.431 4.350 0.000 0.000 0.191 2478 E C 1.370 177.777 176.600 -0.321 0.000 0.982 2478 E CA 0.997 57.229 56.400 -0.279 0.000 0.823 2478 E CB -0.489 28.967 29.700 -0.405 0.000 0.766 2478 E HN 0.702 nan 8.360 nan 0.000 0.468 2479 F N -0.284 119.507 119.950 -0.265 0.000 2.069 2479 F HA -0.216 4.311 4.527 0.000 0.000 0.298 2479 F C 2.362 178.042 175.800 -0.199 0.000 1.113 2479 F CA 1.165 58.938 58.000 -0.377 0.000 1.214 2479 F CB -1.050 37.370 39.000 -0.967 0.000 0.978 2479 F HN -0.071 nan 8.300 nan 0.000 0.474 2480 V N -0.783 119.170 119.914 0.065 0.000 2.287 2480 V HA -0.303 3.817 4.120 0.000 0.000 0.248 2480 V C 2.371 178.563 176.094 0.162 0.000 1.053 2480 V CA 2.115 64.500 62.300 0.141 0.000 1.027 2480 V CB -1.083 30.849 31.823 0.182 0.000 0.646 2480 V HN 0.312 nan 8.190 nan 0.000 0.447 2481 S N 0.090 115.863 115.700 0.121 0.000 2.380 2481 S HA -0.255 4.215 4.470 0.000 0.000 0.229 2481 S C 1.545 176.241 174.600 0.159 0.000 1.043 2481 S CA 1.885 60.166 58.200 0.136 0.000 1.038 2481 S CB -0.583 62.610 63.200 -0.011 0.000 0.872 2481 S HN 0.889 nan 8.310 nan 0.000 0.456 2482 C N 0.658 120.022 119.300 0.106 0.000 2.294 2482 C HA 0.538 4.998 4.460 0.000 0.000 0.348 2482 C C 0.884 176.061 174.990 0.311 0.000 1.355 2482 C CA -0.651 58.455 59.018 0.146 0.000 1.774 2482 C CB -0.944 26.818 27.740 0.036 0.000 2.259 2482 C HN 0.327 nan 8.230 nan 0.000 0.570 2483 Q N -1.180 118.848 119.800 0.379 0.000 1.812 2483 Q HA 0.064 4.404 4.340 0.000 0.000 0.196 2483 Q C 1.375 177.461 176.000 0.144 0.000 0.679 2483 Q CA -0.056 55.894 55.803 0.245 0.000 0.793 2483 Q CB -0.356 28.474 28.738 0.153 0.000 1.215 2483 Q HN 0.532 nan 8.270 nan 0.000 0.412 2484 L N 3.103 124.516 121.223 0.317 0.000 2.089 2484 L HA -0.216 4.124 4.340 0.000 0.000 0.213 2484 L C 2.562 179.543 176.870 0.185 0.000 1.079 2484 L CA 2.340 57.336 54.840 0.260 0.000 0.758 2484 L CB -0.454 41.790 42.059 0.309 0.000 0.891 2484 L HN 0.401 nan 8.230 nan 0.000 0.433 2485 H N -1.267 117.917 119.070 0.189 0.000 2.387 2485 H HA -0.185 4.371 4.556 0.000 0.000 0.299 2485 H C 1.773 177.148 175.328 0.079 0.000 1.099 2485 H CA 1.764 57.851 56.048 0.064 0.000 1.315 2485 H CB -0.842 29.123 29.762 0.338 0.000 1.380 2485 H HN 0.555 nan 8.280 nan 0.000 0.513 2486 Q N -0.222 119.251 119.800 -0.545 0.000 2.079 2486 Q HA -0.152 4.188 4.340 0.000 0.000 0.200 2486 Q C 2.236 178.164 176.000 -0.120 0.000 0.974 2486 Q CA 1.441 57.068 55.803 -0.292 0.000 0.840 2486 Q CB -0.348 28.215 28.738 -0.291 0.000 0.898 2486 Q HN 0.549 nan 8.270 nan 0.000 0.430 2487 W N 1.800 122.988 121.300 -0.187 0.000 2.358 2487 W HA -0.153 4.507 4.660 0.000 0.000 0.303 2487 W C 1.717 178.133 176.519 -0.172 0.000 1.208 2487 W CA 1.250 58.502 57.345 -0.155 0.000 1.274 2487 W CB -0.218 29.173 29.460 -0.115 0.000 1.138 2487 W HN -0.003 nan 8.180 nan 0.000 0.515 2488 I N 0.581 121.094 120.570 -0.096 0.000 2.208 2488 I HA -0.361 3.809 4.170 0.000 0.000 0.245 2488 I C 2.156 178.110 176.117 -0.271 0.000 1.097 2488 I CA 1.855 63.028 61.300 -0.211 0.000 1.363 2488 I CB -0.764 37.075 38.000 -0.267 0.000 1.051 2488 I HN -0.059 nan 8.210 nan 0.000 0.413 2489 D N 0.920 121.186 120.400 -0.222 0.000 2.158 2489 D HA -0.179 4.461 4.640 0.000 0.000 0.197 2489 D C 2.324 178.387 176.300 -0.394 0.000 0.995 2489 D CA 1.406 55.245 54.000 -0.268 0.000 0.846 2489 D CB -0.205 40.416 40.800 -0.299 0.000 0.941 2489 D HN 0.356 nan 8.370 nan 0.000 0.456 2490 L N 0.427 121.374 121.223 -0.461 0.000 2.072 2490 L HA -0.119 4.221 4.340 0.000 0.000 0.205 2490 L C 2.358 178.890 176.870 -0.564 0.000 1.079 2490 L CA 0.559 55.116 54.840 -0.471 0.000 0.752 2490 L CB -0.134 41.632 42.059 -0.489 0.000 0.906 2490 L HN 0.044 nan 8.230 nan 0.000 0.436 2491 I N -1.449 118.602 120.570 -0.865 0.000 2.494 2491 I HA -0.104 4.066 4.170 0.000 0.000 0.250 2491 I C 1.685 177.197 176.117 -1.007 0.000 1.112 2491 I CA 1.743 62.382 61.300 -1.102 0.000 1.438 2491 I CB -0.667 36.281 38.000 -1.754 0.000 1.111 2491 I HN 0.162 nan 8.210 nan 0.000 0.431 2492 F N 0.303 119.997 119.950 -0.427 0.000 2.817 2492 F HA 0.448 4.975 4.527 0.000 0.000 0.333 2492 F C 1.570 177.217 175.800 -0.256 0.000 1.085 2492 F CA -0.402 57.406 58.000 -0.319 0.000 1.170 2492 F CB -0.683 38.092 39.000 -0.375 0.000 1.066 2492 F HN -0.112 nan 8.300 nan 0.000 0.564 2493 G N -0.037 108.714 108.800 -0.082 0.000 2.508 2493 G HA2 0.078 4.038 3.960 0.000 0.000 0.278 2493 G HA3 0.078 4.038 3.960 0.000 0.000 0.278 2493 G C 0.521 175.386 174.900 -0.059 0.000 1.389 2493 G CA -0.034 45.033 45.100 -0.055 0.000 1.050 2493 G HN 0.396 nan 8.290 nan 0.000 0.522 2494 Y N -1.558 118.743 120.300 0.001 0.000 2.616 2494 Y HA 0.236 4.786 4.550 0.000 0.000 0.296 2494 Y C 1.819 177.718 175.900 -0.003 0.000 1.154 2494 Y CA 0.834 58.938 58.100 0.007 0.000 1.325 2494 Y CB 0.049 38.523 38.460 0.023 0.000 1.007 2494 Y HN 0.231 nan 8.280 nan 0.000 0.542 2495 K N 0.907 120.929 120.400 -0.630 0.000 2.446 2495 K HA 0.028 4.348 4.320 0.000 0.000 0.203 2495 K C 1.529 178.012 176.600 -0.195 0.000 1.027 2495 K CA 0.088 56.113 56.287 -0.438 0.000 1.166 2495 K CB 0.154 32.328 32.500 -0.544 0.000 0.869 2495 K HN 0.499 nan 8.250 nan 0.000 0.504 2496 Q N 1.850 121.579 119.800 -0.118 0.000 2.096 2496 Q HA -0.086 4.254 4.340 0.000 0.000 0.197 2496 Q C -0.185 175.915 176.000 0.166 0.000 0.964 2496 Q CA 1.092 56.896 55.803 0.001 0.000 0.838 2496 Q CB 0.423 29.155 28.738 -0.011 0.000 0.906 2496 Q HN 0.248 nan 8.270 nan 0.000 0.444 2497 R N -1.915 118.625 120.500 0.066 0.000 2.566 2497 R HA 0.692 5.032 4.340 0.000 0.000 0.271 2497 R C -0.507 175.769 176.300 -0.038 0.000 1.071 2497 R CA -0.359 55.718 56.100 -0.037 0.000 0.915 2497 R CB 1.619 31.852 30.300 -0.113 0.000 1.228 2497 R HN 0.187 nan 8.270 nan 0.000 0.449 2498 G N 1.824 110.585 108.800 -0.066 0.000 2.362 2498 G HA2 -0.101 3.859 3.960 0.000 0.000 0.517 2498 G HA3 -0.101 3.859 3.960 0.000 0.000 0.517 2498 G C -2.353 172.543 174.900 -0.005 0.000 1.256 2498 G CA -0.648 44.437 45.100 -0.025 0.000 1.027 2498 G HN 0.384 nan 8.290 nan 0.000 0.491 2499 P HA -0.044 nan 4.420 nan 0.000 0.216 2499 P C 1.512 178.829 177.300 0.028 0.000 1.154 2499 P CA 1.936 65.050 63.100 0.024 0.000 0.865 2499 P CB 0.128 31.848 31.700 0.033 0.000 0.789 2500 E N -1.088 119.148 120.200 0.060 0.000 2.208 2500 E HA -0.041 4.309 4.350 0.000 0.000 0.193 2500 E C 1.991 178.579 176.600 -0.019 0.000 0.988 2500 E CA 0.940 57.381 56.400 0.068 0.000 0.828 2500 E CB -0.866 28.958 29.700 0.207 0.000 0.763 2500 E HN 0.089 nan 8.360 nan 0.000 0.478 2501 A N -0.061 122.740 122.820 -0.032 0.000 1.929 2501 A HA -0.092 4.228 4.320 0.000 0.000 0.216 2501 A C 2.326 179.850 177.584 -0.099 0.000 1.176 2501 A CA 1.354 53.355 52.037 -0.060 0.000 0.628 2501 A CB -0.550 18.437 19.000 -0.022 0.000 0.816 2501 A HN 0.249 nan 8.150 nan 0.000 0.444 2502 V N -0.332 119.529 119.914 -0.089 0.000 2.591 2502 V HA -0.062 4.058 4.120 0.000 0.000 0.249 2502 V C 2.291 178.307 176.094 -0.130 0.000 1.053 2502 V CA 1.929 64.138 62.300 -0.151 0.000 1.068 2502 V CB -0.604 31.149 31.823 -0.117 0.000 0.689 2502 V HN 0.586 nan 8.190 nan 0.000 0.462 2503 R N 0.079 120.537 120.500 -0.069 0.000 2.189 2503 R HA 0.070 4.410 4.340 0.000 0.000 0.218 2503 R C 1.831 178.088 176.300 -0.073 0.000 1.074 2503 R CA 1.283 57.357 56.100 -0.044 0.000 0.991 2503 R CB -0.258 30.041 30.300 -0.002 0.000 0.883 2503 R HN 0.590 nan 8.270 nan 0.000 0.457 2504 A N 0.574 123.327 122.820 -0.111 0.000 2.275 2504 A HA 0.128 4.448 4.320 0.000 0.000 0.212 2504 A C 1.028 178.478 177.584 -0.222 0.000 1.201 2504 A CA -0.193 51.764 52.037 -0.134 0.000 0.843 2504 A CB 0.187 19.107 19.000 -0.133 0.000 0.873 2504 A HN 0.381 nan 8.150 nan 0.000 0.492 2505 L N -0.712 120.287 121.223 -0.373 0.000 3.717 2505 L HA -0.194 4.146 4.340 0.000 0.000 0.411 2505 L C 0.001 176.411 176.870 -0.767 0.000 1.233 2505 L CA 1.252 55.620 54.840 -0.787 0.000 0.917 2505 L CB -2.201 39.620 42.059 -0.398 0.000 1.902 2505 L HN 0.660 nan 8.230 nan 0.000 0.894 2506 N N -0.850 117.549 118.700 -0.503 0.000 2.480 2506 N HA 0.333 5.073 4.740 0.000 0.000 0.281 2506 N C -0.496 174.983 175.510 -0.051 0.000 1.381 2506 N CA -0.077 52.865 53.050 -0.181 0.000 0.903 2506 N CB 0.540 38.999 38.487 -0.048 0.000 1.274 2506 N HN 0.117 nan 8.380 nan 0.000 0.505 2507 V N 1.853 121.657 119.914 -0.183 0.000 2.394 2507 V HA 0.497 4.617 4.120 0.000 0.000 0.282 2507 V C -0.291 175.729 176.094 -0.123 0.000 1.031 2507 V CA -0.426 61.913 62.300 0.065 0.000 0.881 2507 V CB 0.418 32.295 31.823 0.091 0.000 0.982 2507 V HN 0.044 nan 8.190 nan 0.000 0.451 2508 F N 1.536 121.713 119.950 0.380 0.000 2.572 2508 F HA 0.483 5.010 4.527 0.000 0.000 0.342 2508 F C 0.689 176.678 175.800 0.314 0.000 1.064 2508 F CA -1.028 57.119 58.000 0.246 0.000 1.008 2508 F CB 0.456 39.443 39.000 -0.022 0.000 1.303 2508 F HN 0.436 nan 8.300 nan 0.000 0.492 2509 H N 1.417 120.546 119.070 0.097 0.000 3.094 2509 H HA -0.125 4.431 4.556 0.000 0.000 0.320 2509 H C 0.857 176.364 175.328 0.298 0.000 1.000 2509 H CA 0.352 56.413 56.048 0.023 0.000 1.413 2509 H CB 0.252 29.841 29.762 -0.288 0.000 1.405 2509 H HN 0.758 nan 8.280 nan 0.000 0.586 2510 Y N 3.944 124.517 120.300 0.455 0.000 2.315 2510 Y HA -0.163 4.387 4.550 0.000 0.000 0.288 2510 Y C 1.956 178.163 175.900 0.511 0.000 1.154 2510 Y CA 0.994 59.353 58.100 0.431 0.000 1.229 2510 Y CB -0.374 38.204 38.460 0.196 0.000 0.980 2510 Y HN 0.479 nan 8.280 nan 0.000 0.540 2511 L N 0.560 121.628 121.223 -0.258 0.000 2.622 2511 L HA -0.042 4.298 4.340 0.000 0.000 0.233 2511 L C 1.698 178.515 176.870 -0.087 0.000 1.156 2511 L CA 1.322 55.930 54.840 -0.387 0.000 0.866 2511 L CB -0.427 41.329 42.059 -0.505 0.000 0.980 2511 L HN 0.369 nan 8.230 nan 0.000 0.448 2512 T N -1.767 112.830 114.554 0.071 0.000 2.983 2512 T HA 0.047 4.397 4.350 0.000 0.000 0.250 2512 T C 0.101 174.735 174.700 -0.111 0.000 1.037 2512 T CA 0.179 62.246 62.100 -0.055 0.000 1.142 2512 T CB -0.132 68.664 68.868 -0.120 0.000 0.876 2512 T HN 0.019 nan 8.240 nan 0.000 0.455 2513 Y N 3.353 123.677 120.300 0.040 0.000 2.457 2513 Y HA 0.160 4.710 4.550 0.000 0.000 0.341 2513 Y C 0.990 176.900 175.900 0.017 0.000 1.240 2513 Y CA -1.301 56.818 58.100 0.032 0.000 1.437 2513 Y CB -0.020 38.486 38.460 0.076 0.000 1.328 2513 Y HN 0.268 nan 8.280 nan 0.000 0.588 2514 E N 0.568 120.849 120.200 0.135 0.000 2.481 2514 E HA 0.243 4.593 4.350 0.000 0.000 0.263 2514 E C 1.102 177.765 176.600 0.106 0.000 0.992 2514 E CA 0.530 56.978 56.400 0.080 0.000 0.938 2514 E CB 0.199 29.934 29.700 0.059 0.000 0.933 2514 E HN 0.885 nan 8.360 nan 0.000 0.453 2515 G N 2.158 111.005 108.800 0.077 0.000 2.320 2515 G HA2 -0.471 3.489 3.960 0.000 0.000 0.242 2515 G HA3 -0.471 3.489 3.960 0.000 0.000 0.242 2515 G C 1.155 176.115 174.900 0.100 0.000 1.033 2515 G CA 0.808 45.958 45.100 0.083 0.000 0.620 2515 G HN 0.735 nan 8.290 nan 0.000 0.517 2516 S N -0.392 115.383 115.700 0.125 0.000 2.451 2516 S HA -0.148 4.322 4.470 0.000 0.000 0.272 2516 S C 1.403 176.080 174.600 0.127 0.000 1.136 2516 S CA 3.581 61.871 58.200 0.150 0.000 1.209 2516 S CB -0.576 62.678 63.200 0.092 0.000 1.130 2516 S HN 2.293 nan 8.310 nan 0.000 0.440 2517 V N -1.312 118.641 119.914 0.066 0.000 3.160 2517 V HA 0.775 4.895 4.120 0.000 0.000 0.310 2517 V C -0.962 175.155 176.094 0.039 0.000 1.181 2517 V CA -0.872 61.462 62.300 0.057 0.000 1.047 2517 V CB 1.772 33.607 31.823 0.020 0.000 1.068 2517 V HN 0.375 nan 8.190 nan 0.000 0.441 2518 N N 0.988 119.712 118.700 0.040 0.000 2.623 2518 N HA 0.508 5.248 4.740 0.000 0.000 0.256 2518 N C 0.558 176.085 175.510 0.028 0.000 1.045 2518 N CA -0.580 52.491 53.050 0.035 0.000 0.863 2518 N CB 1.122 39.636 38.487 0.043 0.000 1.182 2518 N HN 0.812 nan 8.380 nan 0.000 0.523 2519 L N 1.027 122.260 121.223 0.017 0.000 2.189 2519 L HA -0.155 4.185 4.340 0.000 0.000 0.214 2519 L C 1.063 177.949 176.870 0.027 0.000 1.097 2519 L CA 0.955 55.803 54.840 0.014 0.000 0.764 2519 L CB -0.131 41.932 42.059 0.007 0.000 0.900 2519 L HN 0.586 nan 8.230 nan 0.000 0.436 2520 D N -0.680 119.741 120.400 0.035 0.000 2.178 2520 D HA -0.112 4.528 4.640 0.000 0.000 0.202 2520 D C 2.388 178.708 176.300 0.034 0.000 0.974 2520 D CA 0.927 54.950 54.000 0.038 0.000 0.841 2520 D CB 0.120 40.945 40.800 0.043 0.000 0.953 2520 D HN 0.112 nan 8.370 nan 0.000 0.478 2521 S N 0.185 115.906 115.700 0.034 0.000 2.370 2521 S HA -0.091 4.379 4.470 0.000 0.000 0.226 2521 S C 0.927 175.546 174.600 0.031 0.000 1.033 2521 S CA 0.358 58.578 58.200 0.034 0.000 1.011 2521 S CB 0.017 63.240 63.200 0.038 0.000 0.852 2521 S HN 0.219 nan 8.310 nan 0.000 0.457 2522 I N 2.820 123.407 120.570 0.029 0.000 2.662 2522 I HA 0.011 4.181 4.170 0.000 0.000 0.285 2522 I C 1.151 177.283 176.117 0.025 0.000 1.161 2522 I CA 0.727 62.042 61.300 0.025 0.000 1.415 2522 I CB 0.132 38.144 38.000 0.019 0.000 1.385 2522 I HN 0.159 nan 8.210 nan 0.000 0.552 2523 T N 2.839 117.408 114.554 0.024 0.000 3.034 2523 T HA -0.022 4.328 4.350 0.000 0.000 0.248 2523 T C 0.606 175.319 174.700 0.022 0.000 1.040 2523 T CA 0.072 62.186 62.100 0.024 0.000 1.107 2523 T CB -0.030 68.852 68.868 0.023 0.000 0.932 2523 T HN 0.546 nan 8.240 nan 0.000 0.474 2524 D N 2.460 122.873 120.400 0.020 0.000 2.338 2524 D HA 0.168 4.809 4.640 0.000 0.000 0.255 2524 D C -1.772 174.539 176.300 0.018 0.000 1.237 2524 D CA -2.455 51.556 54.000 0.019 0.000 0.883 2524 D CB 1.485 42.296 40.800 0.018 0.000 1.087 2524 D HN -0.036 nan 8.370 nan 0.000 0.485 2525 P HA -0.244 nan 4.420 nan 0.000 0.216 2525 P C 1.592 178.902 177.300 0.015 0.000 1.167 2525 P CA 0.703 63.814 63.100 0.019 0.000 0.914 2525 P CB 0.176 31.889 31.700 0.021 0.000 0.793 2526 V N -1.008 118.914 119.914 0.014 0.000 2.568 2526 V HA -0.230 3.890 4.120 0.000 0.000 0.253 2526 V C 2.070 178.168 176.094 0.006 0.000 1.072 2526 V CA 1.675 63.981 62.300 0.010 0.000 1.084 2526 V CB -1.032 30.797 31.823 0.011 0.000 0.676 2526 V HN 0.017 nan 8.190 nan 0.000 0.469 2527 L N -0.542 120.686 121.223 0.009 0.000 2.068 2527 L HA -0.068 4.272 4.340 0.000 0.000 0.204 2527 L C 2.744 179.613 176.870 -0.001 0.000 1.076 2527 L CA 1.904 56.748 54.840 0.006 0.000 0.753 2527 L CB -0.735 41.332 42.059 0.013 0.000 0.910 2527 L HN 0.266 nan 8.230 nan 0.000 0.439 2528 R N 0.367 120.869 120.500 0.003 0.000 2.080 2528 R HA -0.232 4.108 4.340 0.000 0.000 0.236 2528 R C 2.303 178.594 176.300 -0.014 0.000 1.137 2528 R CA 1.853 57.952 56.100 -0.002 0.000 0.943 2528 R CB -0.302 30.005 30.300 0.010 0.000 0.846 2528 R HN 0.247 nan 8.270 nan 0.000 0.431 2529 E N 1.030 121.227 120.200 -0.005 0.000 2.065 2529 E HA -0.167 4.183 4.350 0.000 0.000 0.201 2529 E C 0.594 177.175 176.600 -0.032 0.000 1.016 2529 E CA 1.330 57.724 56.400 -0.010 0.000 0.818 2529 E CB -0.504 29.198 29.700 0.003 0.000 0.749 2529 E HN 0.427 nan 8.360 nan 0.000 0.453 2533 A N 1.542 124.283 122.820 -0.132 0.000 1.933 2533 A HA -0.232 4.088 4.320 0.000 0.000 0.218 2533 A C 2.084 179.537 177.584 -0.218 0.000 1.175 2533 A CA 1.993 53.952 52.037 -0.130 0.000 0.628 2533 A CB -0.424 18.522 19.000 -0.091 0.000 0.814 2533 A HN 0.218 nan 8.150 nan 0.000 0.444 2534 Q N -0.399 119.214 119.800 -0.312 0.000 2.079 2534 Q HA -0.101 4.239 4.340 0.000 0.000 0.200 2534 Q C 1.944 177.540 176.000 -0.673 0.000 0.974 2534 Q CA 1.446 56.892 55.803 -0.595 0.000 0.840 2534 Q CB -0.243 28.102 28.738 -0.654 0.000 0.898 2534 Q HN 0.741 nan 8.270 nan 0.000 0.430 2535 I N 0.594 120.904 120.570 -0.434 0.000 2.208 2535 I HA -0.321 3.849 4.170 0.000 0.000 0.245 2535 I C 2.194 178.152 176.117 -0.266 0.000 1.097 2535 I CA 1.364 62.462 61.300 -0.336 0.000 1.363 2535 I CB -0.358 37.482 38.000 -0.266 0.000 1.051 2535 I HN 0.294 nan 8.210 nan 0.000 0.413 2536 Q N 0.162 119.823 119.800 -0.231 0.000 2.437 2536 Q HA -0.128 4.212 4.340 0.000 0.000 0.210 2536 Q C 1.837 177.768 176.000 -0.115 0.000 0.972 2536 Q CA 0.727 56.433 55.803 -0.161 0.000 0.903 2536 Q CB -0.130 28.539 28.738 -0.116 0.000 0.967 2536 Q HN 0.507 nan 8.270 nan 0.000 0.486 2537 N N -0.324 118.287 118.700 -0.147 0.000 2.387 2537 N HA 0.034 4.774 4.740 0.000 0.000 0.176 2537 N C 1.192 176.818 175.510 0.194 0.000 1.022 2537 N CA 0.598 53.636 53.050 -0.020 0.000 0.883 2537 N CB 0.240 38.682 38.487 -0.074 0.000 1.019 2537 N HN 0.240 nan 8.380 nan 0.000 0.435 2538 F N 0.597 120.457 119.950 -0.150 0.000 2.387 2538 F HA 0.194 4.721 4.527 0.000 0.000 0.294 2538 F C 1.512 177.212 175.800 -0.167 0.000 1.093 2538 F CA 0.058 57.963 58.000 -0.157 0.000 1.420 2538 F CB 0.380 39.219 39.000 -0.269 0.000 1.086 2538 F HN 0.019 nan 8.300 nan 0.000 0.531 2539 G N 1.142 109.900 108.800 -0.070 0.000 2.612 2539 G HA2 -0.137 3.823 3.960 0.000 0.000 0.686 2539 G HA3 -0.137 3.823 3.960 0.000 0.000 0.686 2539 G C -1.310 173.333 174.900 -0.428 0.000 1.274 2539 G CA -0.994 43.904 45.100 -0.338 0.000 0.849 2539 G HN 0.203 nan 8.290 nan 0.000 0.595 2540 Q N 0.027 119.463 119.800 -0.607 0.000 2.310 2540 Q HA 0.572 4.912 4.340 0.000 0.000 0.270 2540 Q C -0.207 175.434 176.000 -0.598 0.000 1.025 2540 Q CA -0.751 54.770 55.803 -0.469 0.000 0.772 2540 Q CB 2.067 30.619 28.738 -0.310 0.000 1.253 2540 Q HN 0.596 nan 8.270 nan 0.000 0.450 2541 T N 4.052 118.314 114.554 -0.486 0.000 2.930 2541 T HA 0.158 4.508 4.350 0.000 0.000 0.306 2541 T C -2.170 172.335 174.700 -0.325 0.000 1.045 2541 T CA -0.779 61.047 62.100 -0.456 0.000 1.134 2541 T CB 0.190 68.672 68.868 -0.643 0.000 0.961 2541 T HN 0.277 nan 8.240 nan 0.000 0.545 2542 P HA 0.132 nan 4.420 nan 0.000 0.269 2542 P C -0.424 176.802 177.300 -0.125 0.000 1.209 2542 P CA -0.219 62.758 63.100 -0.203 0.000 0.776 2542 P CB 0.369 31.884 31.700 -0.309 0.000 0.876 2543 S N 1.698 117.376 115.700 -0.037 0.000 2.546 2543 S HA -0.043 4.427 4.470 0.000 0.000 0.290 2543 S C 0.308 174.926 174.600 0.030 0.000 1.290 2543 S CA -0.164 58.037 58.200 0.002 0.000 1.069 2543 S CB -0.194 63.016 63.200 0.016 0.000 0.846 2543 S HN 0.441 nan 8.310 nan 0.000 0.495 2544 Q N 2.390 122.204 119.800 0.024 0.000 2.330 2544 Q HA 0.128 4.468 4.340 0.000 0.000 0.279 2544 Q C 0.307 176.308 176.000 0.001 0.000 1.024 2544 Q CA 0.084 55.901 55.803 0.022 0.000 0.900 2544 Q CB 0.306 29.065 28.738 0.035 0.000 1.221 2544 Q HN 0.727 nan 8.270 nan 0.000 0.396 2545 L N 4.729 125.919 121.223 -0.055 0.000 2.556 2545 L HA 0.242 4.582 4.340 0.000 0.000 0.226 2545 L C 0.059 176.786 176.870 -0.238 0.000 1.089 2545 L CA 0.059 54.777 54.840 -0.204 0.000 0.864 2545 L CB 0.028 41.808 42.059 -0.465 0.000 1.067 2545 L HN 0.600 nan 8.230 nan 0.000 0.477 2546 L N -2.472 118.665 121.223 -0.143 0.000 2.556 2546 L HA 0.449 4.789 4.340 0.000 0.000 0.257 2546 L C -0.121 176.788 176.870 0.066 0.000 0.955 2546 L CA -0.800 54.023 54.840 -0.028 0.000 0.850 2546 L CB 1.727 43.737 42.059 -0.081 0.000 1.398 2546 L HN 0.012 nan 8.230 nan 0.000 0.412 2547 I N -2.751 117.882 120.570 0.105 0.000 3.974 2547 I HA 0.441 4.611 4.170 0.000 0.000 0.334 2547 I C -0.204 175.997 176.117 0.141 0.000 1.437 2547 I CA -0.079 61.303 61.300 0.137 0.000 1.113 2547 I CB 0.285 38.341 38.000 0.093 0.000 1.063 2547 I HN 0.532 nan 8.210 nan 0.000 0.400 2548 E N 2.154 122.436 120.200 0.137 0.000 2.263 2548 E HA 0.491 4.841 4.350 0.000 0.000 0.264 2548 E C -2.622 174.089 176.600 0.186 0.000 0.923 2548 E CA -2.223 54.211 56.400 0.057 0.000 0.802 2548 E CB 1.382 31.116 29.700 0.056 0.000 1.228 2548 E HN -0.081 nan 8.360 nan 0.000 0.417 2549 P HA -0.030 nan 4.420 nan 0.000 0.267 2549 P C -0.219 177.282 177.300 0.335 0.000 1.209 2549 P CA 0.339 63.634 63.100 0.326 0.000 0.763 2549 P CB 0.208 31.974 31.700 0.111 0.000 0.816 2550 H N 5.625 124.887 119.070 0.320 0.000 2.732 2550 H HA 0.160 4.716 4.556 0.000 0.000 0.351 2550 H C -2.172 173.349 175.328 0.323 0.000 1.090 2550 H CA -1.715 54.511 56.048 0.296 0.000 1.431 2550 H CB 0.218 30.134 29.762 0.256 0.000 1.447 2550 H HN 0.228 nan 8.280 nan 0.000 0.582 2551 P HA 0.111 nan 4.420 nan 0.000 0.271 2551 P C -2.498 175.020 177.300 0.364 0.000 1.216 2551 P CA -1.026 62.199 63.100 0.207 0.000 0.771 2551 P CB 0.368 32.107 31.700 0.065 0.000 0.864 2552 P HA 0.139 nan 4.420 nan 0.000 0.276 2552 P C -1.503 175.723 177.300 -0.124 0.000 1.252 2552 P CA -0.785 62.070 63.100 -0.409 0.000 0.802 2552 P CB 1.616 32.897 31.700 -0.698 0.000 1.035 2553 R N 0.000 120.365 120.500 -0.225 0.000 2.786 2553 R HA 0.000 4.340 4.340 0.000 0.000 0.208 2553 R CA 0.000 55.718 56.100 -0.636 0.000 0.921 2553 R CB 0.000 29.763 30.300 -0.896 0.000 0.687 2553 R HN 0.000 nan 8.270 nan 0.000 0.535