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 2gh8_1_B DATA FIRST_RESID 163 DATA SEQUENCE TEEQGTVVQQ QPAPAPTALA TLATASTGKS VEQEWMTFFS YHTSINWSTV DATA SEQUENCE ESQGKILYSQ ALNPSINPYL DHIAKLYSTW SGGIDVRFTV SGSGVFGGKL DATA SEQUENCE AALLVPPGVE PIESVSMLQY PHVLFDARQT EPVIFTIPDI RKTLFHSMDE DATA SEQUENCE TDTTKLVIMV YNELINPYEN GVENKTTCSI TVETRPSADF TFALLKPPGS DATA SEQUENCE LIKHGSIPSD LIPRNSAHWM GNRWWSTISG FSVQPRVFQS NRHFDFDSTT DATA SEQUENCE TGWSTPYYVP IEIKIQGKVG SNNKWFHVID TDKALVPGIP DGWPDTTIPD DATA SEQUENCE ETKATNGNFS YGESYRAGST TIKPNENSTH FKGTYICGTL STVEIPENDE DATA SEQUENCE QQIKTEAEKK SQTMYVVTAD FKDTIVKPQH KISPQKLVVY FDGPEKDLTM DATA SEQUENCE SATLSPLGYT LVDEQPVGSV SSRVVRIATL PEAFTQGGNY PIFYVNKIKV DATA SEQUENCE GYFDRATTNC YNSQILMTSQ RLAEGNYNLP PDSLAVYRIT DSSSQWFDIG DATA SEQUENCE INHDGFSYVG LSDLPNDLSF PLTSTFMGVQ LARVKLASKV K 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 163 T HA 0.000 nan 4.350 nan 0.000 0.228 163 T C 0.000 174.701 174.700 0.002 0.000 1.109 163 T CA 0.000 62.102 62.100 0.003 0.000 1.349 163 T CB 0.000 68.869 68.868 0.002 0.000 0.612 164 E N 2.193 122.394 120.200 0.002 0.000 2.283 164 E HA 0.304 4.654 4.350 -0.000 0.000 0.278 164 E C -0.626 175.975 176.600 0.002 0.000 1.027 164 E CA -0.108 56.293 56.400 0.002 0.000 0.843 164 E CB 0.971 30.672 29.700 0.001 0.000 1.062 164 E HN 0.307 nan 8.360 nan 0.000 0.401 165 E N 3.807 124.008 120.200 0.002 0.000 2.259 165 E HA 0.033 4.383 4.350 -0.000 0.000 0.281 165 E C -0.742 175.859 176.600 0.001 0.000 1.027 165 E CA -0.374 56.027 56.400 0.001 0.000 0.838 165 E CB 0.910 30.611 29.700 0.002 0.000 1.066 165 E HN 0.486 nan 8.360 nan 0.000 0.401 166 Q N 2.239 122.039 119.800 0.000 0.000 2.262 166 Q HA 0.311 4.651 4.340 -0.000 0.000 0.272 166 Q C -0.122 175.877 176.000 -0.000 0.000 1.076 166 Q CA 0.870 56.673 55.803 -0.000 0.000 0.905 166 Q CB 0.764 29.501 28.738 -0.001 0.000 1.182 166 Q HN 0.814 nan 8.270 nan 0.000 0.390 167 G N 1.865 110.665 108.800 -0.000 0.000 2.539 167 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.686 167 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.686 167 G C -0.877 174.023 174.900 0.000 0.000 1.258 167 G CA -1.035 44.065 45.100 -0.000 0.000 0.846 167 G HN 0.445 nan 8.290 nan 0.000 0.647 168 T N 0.452 115.006 114.554 0.000 0.000 2.807 168 T HA 0.596 4.945 4.350 -0.000 0.000 0.279 168 T C 0.427 175.127 174.700 0.001 0.000 0.993 168 T CA -0.464 61.636 62.100 0.001 0.000 0.970 168 T CB 1.818 70.686 68.868 0.001 0.000 0.950 168 T HN 1.042 nan 8.240 nan 0.000 0.441 169 V N 4.008 123.923 119.914 0.001 0.000 2.488 169 V HA 0.356 4.476 4.120 -0.000 0.000 0.277 169 V C 0.339 176.434 176.094 0.001 0.000 1.046 169 V CA -0.514 61.787 62.300 0.002 0.000 0.986 169 V CB 0.672 32.496 31.823 0.002 0.000 0.989 169 V HN 0.694 nan 8.190 nan 0.000 0.475 170 V N 4.646 124.561 119.914 0.001 0.000 2.994 170 V HA 0.455 4.575 4.120 -0.000 0.000 0.318 170 V C -0.116 175.979 176.094 0.001 0.000 1.085 170 V CA -1.007 61.294 62.300 0.001 0.000 0.998 170 V CB 1.905 33.729 31.823 0.001 0.000 1.063 170 V HN 0.987 nan 8.190 nan 0.000 0.447 171 Q N 1.408 121.208 119.800 0.001 0.000 2.296 171 Q HA 0.623 4.963 4.340 -0.000 0.000 0.257 171 Q C -1.123 174.878 176.000 0.001 0.000 0.942 171 Q CA -0.758 55.046 55.803 0.002 0.000 0.939 171 Q CB 1.032 29.771 28.738 0.001 0.000 1.198 171 Q HN 0.703 nan 8.270 nan 0.000 0.429 172 Q N 1.191 120.992 119.800 0.002 0.000 2.215 172 Q HA 0.172 4.512 4.340 -0.000 0.000 0.256 172 Q C 0.163 176.164 176.000 0.002 0.000 0.972 172 Q CA -0.776 55.028 55.803 0.002 0.000 0.889 172 Q CB 1.133 29.872 28.738 0.002 0.000 1.281 172 Q HN 0.651 nan 8.270 nan 0.000 0.456 173 Q N 1.310 121.110 119.800 0.002 0.000 1.961 173 Q HA 0.088 4.428 4.340 -0.000 0.000 0.197 173 Q C -1.408 174.593 176.000 0.002 0.000 0.977 173 Q CA 0.705 56.509 55.803 0.001 0.000 0.830 173 Q CB -1.073 27.666 28.738 0.001 0.000 0.896 173 Q HN 0.622 nan 8.270 nan 0.000 0.437 174 P HA 0.101 nan 4.420 nan 0.000 0.258 174 P C -1.432 175.870 177.300 0.002 0.000 1.214 174 P CA 0.364 63.465 63.100 0.002 0.000 0.872 174 P CB 0.284 31.986 31.700 0.002 0.000 0.890 175 A N 6.370 129.191 122.820 0.002 0.000 2.312 175 A HA 0.571 4.891 4.320 -0.000 0.000 0.328 175 A C -1.003 176.583 177.584 0.003 0.000 1.158 175 A CA -1.367 50.672 52.037 0.003 0.000 0.821 175 A CB 0.526 19.527 19.000 0.002 0.000 1.170 175 A HN 0.373 nan 8.150 nan 0.000 0.490 176 P HA 0.014 nan 4.420 nan 0.000 0.242 176 P C 1.326 178.628 177.300 0.004 0.000 1.197 176 P CA 0.985 64.088 63.100 0.004 0.000 0.765 176 P CB 0.087 31.790 31.700 0.005 0.000 0.936 177 A N 1.707 124.529 122.820 0.003 0.000 1.971 177 A HA -0.181 4.139 4.320 -0.000 0.000 0.231 177 A C -0.767 176.818 177.584 0.003 0.000 1.546 177 A CA 1.635 53.673 52.037 0.003 0.000 0.716 177 A CB -2.747 16.255 19.000 0.002 0.000 0.839 177 A HN 0.392 nan 8.150 nan 0.000 0.513 178 P HA 0.175 nan 4.420 nan 0.000 0.267 178 P C -0.100 177.201 177.300 0.003 0.000 1.205 178 P CA 0.635 63.737 63.100 0.003 0.000 0.765 178 P CB 1.041 32.743 31.700 0.003 0.000 0.828 179 T N 1.044 115.599 114.554 0.002 0.000 2.969 179 T HA 0.135 4.485 4.350 -0.000 0.000 0.250 179 T C 1.801 176.502 174.700 0.002 0.000 1.021 179 T CA 0.748 62.849 62.100 0.002 0.000 1.003 179 T CB 0.081 68.950 68.868 0.002 0.000 1.040 179 T HN 0.428 nan 8.240 nan 0.000 0.492 180 A N 1.765 124.586 122.820 0.001 0.000 1.972 180 A HA 0.093 4.413 4.320 -0.000 0.000 0.219 180 A C 2.203 179.787 177.584 0.001 0.000 1.169 180 A CA 0.864 52.901 52.037 0.001 0.000 0.635 180 A CB -0.803 18.198 19.000 0.001 0.000 0.810 180 A HN 0.426 nan 8.150 nan 0.000 0.446 181 L N -0.782 120.442 121.223 0.002 0.000 2.012 181 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 181 L C 3.056 179.928 176.870 0.003 0.000 1.073 181 L CA 1.590 56.432 54.840 0.003 0.000 0.748 181 L CB -0.637 41.425 42.059 0.004 0.000 0.891 181 L HN 0.488 nan 8.230 nan 0.000 0.431 182 A N -0.744 122.078 122.820 0.004 0.000 1.865 182 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 182 A C 2.232 179.817 177.584 0.002 0.000 1.191 182 A CA 2.470 54.509 52.037 0.004 0.000 0.623 182 A CB -1.048 17.955 19.000 0.004 0.000 0.826 182 A HN 0.440 nan 8.150 nan 0.000 0.444 183 T N 0.575 115.129 114.554 0.001 0.000 2.635 183 T HA -0.180 4.169 4.350 -0.000 0.000 0.267 183 T C 1.830 176.529 174.700 -0.001 0.000 1.040 183 T CA 1.654 63.754 62.100 -0.001 0.000 1.156 183 T CB -0.504 68.363 68.868 -0.001 0.000 0.863 183 T HN 0.362 nan 8.240 nan 0.000 0.430 184 L N 0.576 121.799 121.223 -0.000 0.000 2.013 184 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 184 L C 3.039 179.909 176.870 0.000 0.000 1.073 184 L CA 1.444 56.284 54.840 -0.000 0.000 0.753 184 L CB -0.787 41.273 42.059 0.001 0.000 0.890 184 L HN 0.280 nan 8.230 nan 0.000 0.432 185 A N -0.357 122.464 122.820 0.002 0.000 1.859 185 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 185 A C 2.336 179.921 177.584 0.001 0.000 1.198 185 A CA 2.760 54.799 52.037 0.003 0.000 0.629 185 A CB -1.227 17.776 19.000 0.005 0.000 0.830 185 A HN 0.415 nan 8.150 nan 0.000 0.446 186 T N 0.224 114.778 114.554 -0.000 0.000 2.699 186 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 186 T C 2.143 176.840 174.700 -0.005 0.000 1.036 186 T CA 1.906 64.004 62.100 -0.003 0.000 1.147 186 T CB -0.520 68.345 68.868 -0.005 0.000 0.862 186 T HN 0.659 nan 8.240 nan 0.000 0.446 187 A N 1.592 124.410 122.820 -0.004 0.000 1.933 187 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 187 A C 2.527 180.108 177.584 -0.005 0.000 1.175 187 A CA 2.041 54.075 52.037 -0.005 0.000 0.628 187 A CB -0.664 18.334 19.000 -0.004 0.000 0.814 187 A HN 0.615 nan 8.150 nan 0.000 0.444 188 S N -1.026 114.672 115.700 -0.004 0.000 2.496 188 S HA -0.065 4.405 4.470 -0.000 0.000 0.224 188 S C 1.664 176.261 174.600 -0.004 0.000 0.996 188 S CA 1.401 59.599 58.200 -0.004 0.000 0.927 188 S CB -0.645 62.554 63.200 -0.002 0.000 0.774 188 S HN 0.743 nan 8.310 nan 0.000 0.524 189 T N -2.804 111.748 114.554 -0.004 0.000 3.023 189 T HA 0.459 4.809 4.350 -0.000 0.000 0.249 189 T C 1.559 176.253 174.700 -0.009 0.000 1.050 189 T CA 0.650 62.747 62.100 -0.004 0.000 1.088 189 T CB -0.431 68.437 68.868 0.000 0.000 0.946 189 T HN 1.229 nan 8.240 nan 0.000 0.480 190 G N 1.658 110.451 108.800 -0.011 0.000 2.212 190 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.255 190 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.255 190 G C -0.134 174.754 174.900 -0.019 0.000 1.062 190 G CA 0.086 45.178 45.100 -0.015 0.000 0.815 190 G HN 0.812 nan 8.290 nan 0.000 0.497 191 K N 0.353 120.744 120.400 -0.016 0.000 2.401 191 K HA 0.595 4.915 4.320 -0.000 0.000 0.278 191 K C 1.218 177.802 176.600 -0.028 0.000 1.018 191 K CA 0.874 57.148 56.287 -0.021 0.000 0.981 191 K CB 0.559 33.050 32.500 -0.015 0.000 0.933 191 K HN 0.186 nan 8.250 nan 0.000 0.477 192 S N 1.772 117.448 115.700 -0.040 0.000 3.600 192 S HA 0.216 4.686 4.470 -0.000 0.000 0.179 192 S C -0.152 174.414 174.600 -0.057 0.000 0.816 192 S CA -0.318 57.856 58.200 -0.043 0.000 0.916 192 S CB 0.094 63.268 63.200 -0.044 0.000 1.164 192 S HN 0.323 nan 8.310 nan 0.000 0.709 193 V N 2.937 122.802 119.914 -0.081 0.000 2.904 193 V HA 0.382 4.502 4.120 -0.000 0.000 0.305 193 V C 1.424 177.435 176.094 -0.139 0.000 1.067 193 V CA -0.121 62.112 62.300 -0.112 0.000 1.044 193 V CB 1.292 33.027 31.823 -0.146 0.000 1.050 193 V HN 0.461 nan 8.190 nan 0.000 0.475 194 E N 0.749 120.856 120.200 -0.155 0.000 2.190 194 E HA -0.026 4.324 4.350 -0.000 0.000 0.191 194 E C 0.838 177.242 176.600 -0.326 0.000 0.978 194 E CA 0.948 57.253 56.400 -0.159 0.000 0.839 194 E CB 0.222 29.870 29.700 -0.085 0.000 0.787 194 E HN 0.651 nan 8.360 nan 0.000 0.473 195 Q N 0.957 120.464 119.800 -0.488 0.000 2.834 195 Q HA 0.121 4.461 4.340 -0.000 0.000 0.271 195 Q C -0.130 175.165 176.000 -1.176 0.000 1.196 195 Q CA -0.116 55.042 55.803 -1.075 0.000 1.063 195 Q CB 1.171 29.464 28.738 -0.741 0.000 1.265 195 Q HN 0.195 nan 8.270 nan 0.000 0.526 196 E N 0.250 119.917 120.200 -0.889 0.000 2.147 196 E HA -0.222 4.128 4.350 -0.000 0.000 0.199 196 E C 1.161 177.521 176.600 -0.401 0.000 1.005 196 E CA 1.960 58.106 56.400 -0.422 0.000 0.810 196 E CB -0.234 29.407 29.700 -0.099 0.000 0.736 196 E HN 0.666 nan 8.360 nan 0.000 0.460 197 W N -0.513 120.557 121.300 -0.383 0.000 2.662 197 W HA -0.066 4.593 4.660 -0.000 0.000 0.249 197 W C 1.226 177.264 176.519 -0.803 0.000 1.251 197 W CA 0.459 57.250 57.345 -0.923 0.000 1.277 197 W CB -0.605 28.304 29.460 -0.918 0.000 1.140 197 W HN -0.025 nan 8.180 nan 0.000 0.645 198 M N 0.958 120.202 119.600 -0.592 0.000 2.441 198 M HA 0.109 4.589 4.480 -0.000 0.000 0.244 198 M C 1.176 177.255 176.300 -0.369 0.000 1.122 198 M CA 1.231 56.276 55.300 -0.425 0.000 1.041 198 M CB -0.590 31.810 32.600 -0.333 0.000 1.438 198 M HN 0.182 nan 8.290 nan 0.000 0.484 199 T N -1.275 113.095 114.554 -0.307 0.000 3.176 199 T HA 0.372 4.721 4.350 -0.000 0.000 0.263 199 T C -0.169 174.539 174.700 0.015 0.000 1.021 199 T CA -0.478 61.550 62.100 -0.121 0.000 0.905 199 T CB -0.632 68.228 68.868 -0.013 0.000 1.057 199 T HN 0.291 nan 8.240 nan 0.000 0.558 200 F N -1.493 118.307 119.950 -0.251 0.000 2.725 200 F HA 0.696 5.223 4.527 -0.000 0.000 0.309 200 F C -1.879 173.751 175.800 -0.283 0.000 1.132 200 F CA -2.761 55.117 58.000 -0.203 0.000 0.957 200 F CB 0.378 39.329 39.000 -0.083 0.000 1.286 200 F HN -0.136 nan 8.300 nan 0.000 0.440 201 F N 1.709 121.749 119.950 0.150 0.000 2.389 201 F HA 0.665 5.192 4.527 -0.000 0.000 0.337 201 F C 0.436 176.379 175.800 0.239 0.000 1.112 201 F CA -0.074 57.958 58.000 0.053 0.000 1.192 201 F CB 1.772 40.779 39.000 0.012 0.000 1.185 201 F HN 0.609 nan 8.300 nan 0.000 0.552 202 S N 1.468 117.357 115.700 0.315 0.000 2.526 202 S HA 0.304 4.774 4.470 -0.000 0.000 0.293 202 S C -1.207 173.559 174.600 0.276 0.000 1.092 202 S CA -0.809 57.620 58.200 0.381 0.000 0.980 202 S CB 1.111 64.571 63.200 0.433 0.000 1.048 202 S HN 0.509 nan 8.310 nan 0.000 0.483 203 Y N 2.131 122.534 120.300 0.172 0.000 2.904 203 Y HA -0.064 4.486 4.550 -0.000 0.000 0.336 203 Y C 1.237 177.211 175.900 0.123 0.000 1.263 203 Y CA 1.410 59.571 58.100 0.101 0.000 1.547 203 Y CB 0.288 38.786 38.460 0.065 0.000 1.272 203 Y HN 0.991 nan 8.280 nan 0.000 0.596 204 H N 2.129 120.746 119.070 -0.755 0.000 2.179 204 H HA 0.275 4.831 4.556 -0.000 0.000 0.246 204 H C -0.219 174.746 175.328 -0.606 0.000 0.904 204 H CA 1.039 56.812 56.048 -0.459 0.000 1.113 204 H CB 0.690 30.257 29.762 -0.325 0.000 1.396 204 H HN 0.641 nan 8.280 nan 0.000 0.484 205 T N -0.971 112.940 114.554 -1.072 0.000 2.769 205 T HA 0.513 4.863 4.350 -0.000 0.000 0.306 205 T C -1.588 172.790 174.700 -0.537 0.000 1.400 205 T CA -0.246 61.418 62.100 -0.727 0.000 1.007 205 T CB 1.156 69.682 68.868 -0.570 0.000 1.392 205 T HN 0.251 nan 8.240 nan 0.000 0.500 206 S N 0.766 116.368 115.700 -0.163 0.000 2.542 206 S HA 0.850 5.319 4.470 -0.000 0.000 0.293 206 S C -1.325 173.252 174.600 -0.038 0.000 1.089 206 S CA -0.693 57.485 58.200 -0.038 0.000 0.961 206 S CB 0.650 63.935 63.200 0.142 0.000 1.062 206 S HN 0.579 nan 8.310 nan 0.000 0.483 207 I N 3.503 124.082 120.570 0.016 0.000 2.466 207 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 207 I C -0.327 175.868 176.117 0.130 0.000 1.026 207 I CA -0.511 60.819 61.300 0.050 0.000 1.078 207 I CB 2.090 40.147 38.000 0.095 0.000 1.249 207 I HN 0.596 nan 8.210 nan 0.000 0.429 208 N N 5.792 124.576 118.700 0.140 0.000 2.527 208 N HA 0.133 4.873 4.740 -0.000 0.000 0.236 208 N C -1.250 174.450 175.510 0.317 0.000 0.999 208 N CA -0.585 52.591 53.050 0.209 0.000 0.935 208 N CB 0.983 39.575 38.487 0.175 0.000 1.132 208 N HN 0.448 nan 8.380 nan 0.000 0.511 209 W N 4.111 125.475 121.300 0.108 0.000 2.437 209 W HA 0.222 4.882 4.660 -0.000 0.000 0.312 209 W C 0.096 176.655 176.519 0.067 0.000 1.242 209 W CA -0.923 56.479 57.345 0.096 0.000 1.340 209 W CB 0.259 29.771 29.460 0.087 0.000 1.327 209 W HN 0.172 nan 8.180 nan 0.000 0.476 210 S N 3.409 119.271 115.700 0.271 0.000 2.608 210 S HA 0.315 4.785 4.470 -0.000 0.000 0.291 210 S C 1.189 175.729 174.600 -0.100 0.000 1.146 210 S CA 0.013 58.231 58.200 0.031 0.000 1.043 210 S CB 1.225 64.491 63.200 0.110 0.000 1.037 210 S HN 0.523 nan 8.310 nan 0.000 0.520 211 T N 1.237 115.673 114.554 -0.196 0.000 3.215 211 T HA 0.080 4.430 4.350 -0.000 0.000 0.254 211 T C 1.135 175.785 174.700 -0.083 0.000 1.149 211 T CA 0.380 62.352 62.100 -0.212 0.000 1.042 211 T CB -0.219 68.493 68.868 -0.258 0.000 0.966 211 T HN 0.349 nan 8.240 nan 0.000 0.534 212 V N 0.301 120.204 119.914 -0.019 0.000 3.431 212 V HA 0.187 4.307 4.120 -0.000 0.000 0.253 212 V C 0.937 177.061 176.094 0.051 0.000 1.184 212 V CA 0.171 62.477 62.300 0.009 0.000 1.104 212 V CB 0.053 31.883 31.823 0.011 0.000 0.799 212 V HN 0.526 nan 8.190 nan 0.000 0.462 213 E N 1.802 122.069 120.200 0.112 0.000 2.220 213 E HA 0.208 4.558 4.350 -0.000 0.000 0.272 213 E C 0.342 177.037 176.600 0.159 0.000 1.099 213 E CA -0.127 56.371 56.400 0.163 0.000 0.907 213 E CB 0.596 30.464 29.700 0.281 0.000 1.022 213 E HN 0.563 nan 8.360 nan 0.000 0.428 214 S N 2.703 118.462 115.700 0.098 0.000 2.686 214 S HA 0.091 4.561 4.470 -0.000 0.000 0.270 214 S C 0.293 174.933 174.600 0.067 0.000 1.194 214 S CA -1.032 57.212 58.200 0.074 0.000 0.990 214 S CB 0.940 64.160 63.200 0.033 0.000 1.029 214 S HN 0.606 nan 8.310 nan 0.000 0.560 215 Q N -0.325 119.496 119.800 0.036 0.000 2.349 215 Q HA 0.349 4.689 4.340 -0.000 0.000 0.287 215 Q C 1.297 177.286 176.000 -0.018 0.000 1.044 215 Q CA 1.198 57.001 55.803 0.000 0.000 0.918 215 Q CB -0.165 28.546 28.738 -0.045 0.000 1.242 215 Q HN 1.253 nan 8.270 nan 0.000 0.405 216 G N 3.056 111.835 108.800 -0.035 0.000 2.284 216 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.230 216 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.230 216 G C 0.087 174.978 174.900 -0.016 0.000 1.021 216 G CA 0.284 45.360 45.100 -0.039 0.000 0.619 216 G HN 0.650 nan 8.290 nan 0.000 0.510 217 K N 1.005 121.411 120.400 0.011 0.000 2.382 217 K HA 0.489 4.809 4.320 -0.000 0.000 0.275 217 K C 0.197 176.813 176.600 0.026 0.000 1.009 217 K CA -0.323 55.986 56.287 0.037 0.000 0.970 217 K CB 0.122 32.669 32.500 0.078 0.000 0.934 217 K HN 0.273 nan 8.250 nan 0.000 0.479 218 I N 6.461 127.059 120.570 0.047 0.000 2.331 218 I HA 0.040 4.209 4.170 -0.000 0.000 0.292 218 I C 0.804 176.970 176.117 0.081 0.000 0.998 218 I CA -0.369 60.952 61.300 0.034 0.000 1.267 218 I CB 1.185 39.194 38.000 0.016 0.000 1.386 218 I HN 0.670 nan 8.210 nan 0.000 0.476 219 L N 6.571 127.827 121.223 0.056 0.000 2.513 219 L HA 0.190 4.530 4.340 -0.000 0.000 0.222 219 L C -0.309 176.648 176.870 0.145 0.000 1.096 219 L CA 0.173 55.066 54.840 0.087 0.000 0.857 219 L CB 0.018 42.083 42.059 0.009 0.000 1.026 219 L HN 0.511 nan 8.230 nan 0.000 0.469 220 Y N -0.148 120.155 120.300 0.005 0.000 2.480 220 Y HA 0.474 5.024 4.550 -0.000 0.000 0.329 220 Y C -1.071 174.848 175.900 0.033 0.000 1.127 220 Y CA -1.098 57.024 58.100 0.036 0.000 1.037 220 Y CB 1.930 40.493 38.460 0.172 0.000 1.320 220 Y HN -0.201 nan 8.280 nan 0.000 0.446 221 S N 5.352 120.606 115.700 -0.743 0.000 2.614 221 S HA 0.544 5.013 4.470 -0.000 0.000 0.259 221 S C -1.909 172.305 174.600 -0.643 0.000 1.118 221 S CA -0.404 57.481 58.200 -0.524 0.000 1.065 221 S CB 0.984 64.033 63.200 -0.251 0.000 1.121 221 S HN 0.757 nan 8.310 nan 0.000 0.458 222 Q N 2.306 121.765 119.800 -0.569 0.000 2.397 222 Q HA 0.845 5.185 4.340 -0.000 0.000 0.275 222 Q C -0.875 175.048 176.000 -0.129 0.000 1.090 222 Q CA -0.419 55.184 55.803 -0.334 0.000 0.809 222 Q CB 2.245 30.852 28.738 -0.217 0.000 1.362 222 Q HN 0.927 nan 8.270 nan 0.000 0.431 223 A N 1.838 124.603 122.820 -0.092 0.000 2.312 223 A HA 0.600 4.920 4.320 -0.000 0.000 0.328 223 A C -1.123 176.463 177.584 0.003 0.000 1.158 223 A CA -0.661 51.361 52.037 -0.025 0.000 0.821 223 A CB 0.534 19.523 19.000 -0.018 0.000 1.170 223 A HN 0.778 nan 8.150 nan 0.000 0.490 224 L N 2.769 124.025 121.223 0.055 0.000 2.628 224 L HA 0.171 4.510 4.340 -0.000 0.000 0.274 224 L C 0.036 176.915 176.870 0.014 0.000 1.209 224 L CA 1.060 55.944 54.840 0.074 0.000 0.930 224 L CB -0.587 41.588 42.059 0.194 0.000 1.183 224 L HN 0.814 nan 8.230 nan 0.000 0.492 225 N N 4.178 122.768 118.700 -0.184 0.000 3.049 225 N HA 0.217 4.956 4.740 -0.000 0.000 0.244 225 N C -2.638 172.594 175.510 -0.463 0.000 1.203 225 N CA -0.986 51.797 53.050 -0.445 0.000 0.945 225 N CB 2.022 40.405 38.487 -0.173 0.000 1.616 225 N HN 0.118 nan 8.380 nan 0.000 0.505 226 P HA -0.203 nan 4.420 nan 0.000 0.218 226 P C 1.455 178.639 177.300 -0.192 0.000 1.152 226 P CA 2.276 65.190 63.100 -0.310 0.000 0.857 226 P CB 0.139 31.786 31.700 -0.088 0.000 0.787 227 S N 0.338 115.955 115.700 -0.138 0.000 2.402 227 S HA -0.222 4.248 4.470 -0.000 0.000 0.233 227 S C 1.824 176.385 174.600 -0.064 0.000 1.030 227 S CA 1.617 59.791 58.200 -0.043 0.000 1.003 227 S CB -1.868 61.361 63.200 0.049 0.000 0.813 227 S HN 0.383 nan 8.310 nan 0.000 0.477 228 I N -0.356 120.108 120.570 -0.178 0.000 3.241 228 I HA 0.162 4.332 4.170 -0.000 0.000 0.280 228 I C 0.412 176.283 176.117 -0.410 0.000 1.320 228 I CA 0.369 61.429 61.300 -0.400 0.000 1.413 228 I CB -0.569 37.146 38.000 -0.475 0.000 1.060 228 I HN 0.226 nan 8.210 nan 0.000 0.500 229 N N 1.060 119.631 118.700 -0.215 0.000 2.295 229 N HA 0.308 5.048 4.740 -0.000 0.000 0.293 229 N C -2.316 173.153 175.510 -0.069 0.000 1.040 229 N CA -1.646 51.317 53.050 -0.144 0.000 0.840 229 N CB 2.474 40.839 38.487 -0.203 0.000 1.468 229 N HN -0.276 nan 8.380 nan 0.000 0.478 230 P HA -0.121 nan 4.420 nan 0.000 0.215 230 P C 0.692 177.828 177.300 -0.273 0.000 1.163 230 P CA 1.649 64.670 63.100 -0.132 0.000 0.894 230 P CB 0.071 31.671 31.700 -0.167 0.000 0.791 231 Y N -1.036 119.156 120.300 -0.179 0.000 2.109 231 Y HA -0.111 4.439 4.550 -0.000 0.000 0.285 231 Y C 2.515 178.194 175.900 -0.368 0.000 1.131 231 Y CA 0.959 58.814 58.100 -0.408 0.000 1.121 231 Y CB -1.469 36.565 38.460 -0.711 0.000 0.987 231 Y HN -0.206 nan 8.280 nan 0.000 0.495 232 L N 0.061 121.209 121.223 -0.126 0.000 2.034 232 L HA -0.348 3.992 4.340 -0.000 0.000 0.217 232 L C 2.366 179.301 176.870 0.107 0.000 1.077 232 L CA 1.998 56.842 54.840 0.006 0.000 0.769 232 L CB -0.595 41.337 42.059 -0.211 0.000 0.890 232 L HN 0.414 nan 8.230 nan 0.000 0.435 233 D N -0.932 119.461 120.400 -0.011 0.000 2.097 233 D HA -0.272 4.368 4.640 -0.000 0.000 0.195 233 D C 2.046 178.315 176.300 -0.053 0.000 0.989 233 D CA 1.341 55.331 54.000 -0.017 0.000 0.827 233 D CB -0.111 40.676 40.800 -0.022 0.000 0.966 233 D HN 0.433 nan 8.370 nan 0.000 0.456 234 H N 0.450 119.432 119.070 -0.146 0.000 2.456 234 H HA -0.082 4.474 4.556 -0.000 0.000 0.296 234 H C 2.086 177.324 175.328 -0.149 0.000 1.079 234 H CA 0.721 56.675 56.048 -0.156 0.000 1.322 234 H CB 0.208 29.843 29.762 -0.212 0.000 1.388 234 H HN 0.187 nan 8.280 nan 0.000 0.538 235 I N 0.740 121.208 120.570 -0.170 0.000 2.480 235 I HA -0.092 4.078 4.170 -0.000 0.000 0.251 235 I C 2.919 178.826 176.117 -0.350 0.000 1.124 235 I CA 0.956 62.150 61.300 -0.176 0.000 1.444 235 I CB -1.475 36.553 38.000 0.048 0.000 1.098 235 I HN 0.185 nan 8.210 nan 0.000 0.428 236 A N 1.327 123.848 122.820 -0.497 0.000 2.042 236 A HA -0.250 4.070 4.320 -0.000 0.000 0.222 236 A C 2.229 179.643 177.584 -0.284 0.000 1.167 236 A CA 1.657 53.322 52.037 -0.620 0.000 0.649 236 A CB -0.650 18.213 19.000 -0.228 0.000 0.809 236 A HN 0.405 nan 8.150 nan 0.000 0.457 237 K N -0.572 119.678 120.400 -0.251 0.000 2.281 237 K HA -0.037 4.283 4.320 -0.000 0.000 0.203 237 K C 1.458 177.939 176.600 -0.199 0.000 1.046 237 K CA 1.186 57.352 56.287 -0.203 0.000 0.938 237 K CB -0.295 32.056 32.500 -0.248 0.000 0.737 237 K HN 0.548 nan 8.250 nan 0.000 0.458 238 L N -0.520 120.557 121.223 -0.243 0.000 2.375 238 L HA 0.024 4.364 4.340 -0.000 0.000 0.215 238 L C 0.504 177.140 176.870 -0.390 0.000 1.108 238 L CA 0.278 54.925 54.840 -0.321 0.000 0.830 238 L CB -0.054 41.752 42.059 -0.421 0.000 0.959 238 L HN 0.046 nan 8.230 nan 0.000 0.457 239 Y N -1.071 119.082 120.300 -0.245 0.000 2.596 239 Y HA 0.215 4.765 4.550 -0.000 0.000 0.326 239 Y C 1.303 177.166 175.900 -0.062 0.000 1.167 239 Y CA -0.515 57.495 58.100 -0.149 0.000 1.246 239 Y CB 1.328 39.685 38.460 -0.173 0.000 1.347 239 Y HN -0.178 nan 8.280 nan 0.000 0.515 240 S N -2.125 113.702 115.700 0.211 0.000 2.666 240 S HA 0.362 4.831 4.470 -0.000 0.000 0.239 240 S C -0.164 174.562 174.600 0.209 0.000 1.031 240 S CA -0.134 58.164 58.200 0.164 0.000 1.015 240 S CB 0.146 63.404 63.200 0.097 0.000 0.981 240 S HN 0.541 nan 8.310 nan 0.000 0.547 241 T N 3.200 117.897 114.554 0.238 0.000 2.993 241 T HA 0.583 4.933 4.350 -0.000 0.000 0.312 241 T C -1.754 173.147 174.700 0.334 0.000 1.115 241 T CA -0.773 61.432 62.100 0.175 0.000 1.027 241 T CB 1.699 70.415 68.868 -0.253 0.000 1.116 241 T HN 0.584 nan 8.240 nan 0.000 0.464 242 W N 1.364 122.767 121.300 0.172 0.000 3.167 242 W HA 0.791 5.451 4.660 -0.000 0.000 0.324 242 W C -1.254 175.245 176.519 -0.034 0.000 1.230 242 W CA -1.110 56.239 57.345 0.007 0.000 1.184 242 W CB 0.953 30.487 29.460 0.123 0.000 1.414 242 W HN 0.831 nan 8.180 nan 0.000 0.551 243 S N 1.756 117.358 115.700 -0.164 0.000 2.570 243 S HA 0.867 5.337 4.470 -0.000 0.000 0.270 243 S C -0.431 174.043 174.600 -0.210 0.000 1.149 243 S CA 0.195 58.265 58.200 -0.216 0.000 0.837 243 S CB 1.382 64.463 63.200 -0.197 0.000 1.124 243 S HN 2.391 nan 8.310 nan 0.000 0.465 244 G N 0.093 108.911 108.800 0.029 0.000 2.515 244 G HA2 0.434 4.394 3.960 -0.000 0.000 0.686 244 G HA3 0.434 4.394 3.960 -0.000 0.000 0.686 244 G C -0.005 175.140 174.900 0.408 0.000 1.274 244 G CA -0.225 44.949 45.100 0.123 0.000 0.874 244 G HN 1.629 nan 8.290 nan 0.000 0.631 245 G N -1.299 107.701 108.800 0.334 0.000 2.557 245 G HA2 0.830 4.790 3.960 -0.000 0.000 0.302 245 G HA3 0.830 4.790 3.960 -0.000 0.000 0.302 245 G C -0.380 174.673 174.900 0.255 0.000 1.311 245 G CA -0.732 44.549 45.100 0.301 0.000 1.030 245 G HN 1.157 nan 8.290 nan 0.000 0.509 246 I N -0.018 120.626 120.570 0.124 0.000 2.644 246 I HA 0.197 4.367 4.170 -0.000 0.000 0.291 246 I C -1.359 174.780 176.117 0.036 0.000 1.180 246 I CA -0.865 60.429 61.300 -0.010 0.000 1.040 246 I CB 2.625 40.552 38.000 -0.122 0.000 1.255 246 I HN 0.322 nan 8.210 nan 0.000 0.422 247 D N 5.732 126.151 120.400 0.032 0.000 2.304 247 D HA 0.311 4.951 4.640 -0.000 0.000 0.250 247 D C -0.512 175.903 176.300 0.190 0.000 1.107 247 D CA -0.068 54.019 54.000 0.144 0.000 0.885 247 D CB 2.488 43.410 40.800 0.203 0.000 1.192 247 D HN 0.030 nan 8.370 nan 0.000 0.436 248 V N 3.192 123.205 119.914 0.164 0.000 2.378 248 V HA 0.272 4.392 4.120 -0.000 0.000 0.288 248 V C 0.369 176.403 176.094 -0.099 0.000 1.016 248 V CA -0.837 61.479 62.300 0.028 0.000 0.840 248 V CB 1.780 33.653 31.823 0.083 0.000 0.994 248 V HN 0.382 nan 8.190 nan 0.000 0.431 249 R N 4.521 124.786 120.500 -0.392 0.000 2.295 249 R HA 0.517 4.857 4.340 -0.000 0.000 0.324 249 R C -1.837 174.116 176.300 -0.579 0.000 0.968 249 R CA -0.420 55.300 56.100 -0.633 0.000 0.837 249 R CB 0.934 30.386 30.300 -1.415 0.000 1.133 249 R HN 0.471 nan 8.270 nan 0.000 0.450 250 F N 1.989 121.641 119.950 -0.496 0.000 2.415 250 F HA 0.297 4.824 4.527 -0.000 0.000 0.348 250 F C 0.315 175.917 175.800 -0.330 0.000 1.119 250 F CA -0.381 57.387 58.000 -0.386 0.000 1.069 250 F CB 2.353 41.096 39.000 -0.429 0.000 1.124 250 F HN 0.317 nan 8.300 nan 0.000 0.472 251 T N 3.706 118.225 114.554 -0.058 0.000 2.947 251 T HA 0.369 4.719 4.350 -0.000 0.000 0.337 251 T C -0.201 174.543 174.700 0.073 0.000 1.139 251 T CA -0.512 61.569 62.100 -0.031 0.000 0.992 251 T CB 0.358 69.191 68.868 -0.060 0.000 1.043 251 T HN 0.180 nan 8.240 nan 0.000 0.498 252 V N 2.839 122.836 119.914 0.138 0.000 2.555 252 V HA 0.439 4.559 4.120 -0.000 0.000 0.286 252 V C 0.649 176.837 176.094 0.157 0.000 1.044 252 V CA -0.241 62.193 62.300 0.224 0.000 1.026 252 V CB 1.495 33.521 31.823 0.339 0.000 0.981 252 V HN 0.810 nan 8.190 nan 0.000 0.480 253 S N 3.294 119.089 115.700 0.157 0.000 2.524 253 S HA 0.694 5.164 4.470 -0.000 0.000 0.227 253 S C 0.104 174.761 174.600 0.095 0.000 1.304 253 S CA 0.022 58.279 58.200 0.097 0.000 1.185 253 S CB 0.357 63.598 63.200 0.068 0.000 1.104 253 S HN 1.067 nan 8.310 nan 0.000 0.475 254 G N 1.369 110.205 108.800 0.059 0.000 3.209 254 G HA2 0.645 4.605 3.960 -0.000 0.000 0.236 254 G HA3 0.645 4.605 3.960 -0.000 0.000 0.236 254 G C -0.694 174.004 174.900 -0.337 0.000 1.329 254 G CA -0.565 44.528 45.100 -0.013 0.000 1.015 254 G HN 0.628 nan 8.290 nan 0.000 0.571 255 S N -1.411 113.681 115.700 -1.012 0.000 2.578 255 S HA 0.481 4.951 4.470 -0.000 0.000 0.283 255 S C 1.545 175.772 174.600 -0.622 0.000 1.195 255 S CA 0.316 57.976 58.200 -0.901 0.000 1.050 255 S CB 1.098 63.562 63.200 -1.227 0.000 1.012 255 S HN 1.102 nan 8.310 nan 0.000 0.511 256 G N 2.288 110.888 108.800 -0.334 0.000 2.586 256 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.215 256 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.215 256 G C 1.075 175.872 174.900 -0.173 0.000 1.128 256 G CA 0.671 45.659 45.100 -0.187 0.000 0.774 256 G HN 0.682 nan 8.290 nan 0.000 0.543 257 V N -0.103 119.644 119.914 -0.278 0.000 3.354 257 V HA 0.366 4.486 4.120 -0.000 0.000 0.258 257 V C 1.232 177.297 176.094 -0.047 0.000 1.159 257 V CA -0.316 61.852 62.300 -0.220 0.000 1.125 257 V CB -0.428 31.131 31.823 -0.440 0.000 0.774 257 V HN 0.295 nan 8.190 nan 0.000 0.464 258 F N 0.569 120.408 119.950 -0.186 0.000 2.380 258 F HA 0.479 5.006 4.527 -0.000 0.000 0.295 258 F C 1.076 176.801 175.800 -0.125 0.000 1.292 258 F CA 0.185 58.080 58.000 -0.175 0.000 1.248 258 F CB 0.238 39.129 39.000 -0.180 0.000 1.338 258 F HN 0.199 nan 8.300 nan 0.000 0.524 259 G N -0.948 107.900 108.800 0.079 0.000 2.718 259 G HA2 0.559 4.519 3.960 -0.000 0.000 0.295 259 G HA3 0.559 4.519 3.960 -0.000 0.000 0.295 259 G C -1.204 173.689 174.900 -0.011 0.000 1.421 259 G CA -0.229 44.889 45.100 0.030 0.000 0.902 259 G HN 0.993 nan 8.290 nan 0.000 0.501 260 G N 0.303 109.147 108.800 0.073 0.000 2.307 260 G HA2 0.433 4.393 3.960 -0.000 0.000 0.348 260 G HA3 0.433 4.393 3.960 -0.000 0.000 0.348 260 G C -1.510 173.571 174.900 0.303 0.000 1.603 260 G CA -0.979 44.225 45.100 0.173 0.000 0.961 260 G HN 0.574 nan 8.290 nan 0.000 0.686 261 K N -0.139 120.439 120.400 0.298 0.000 2.340 261 K HA 0.805 5.125 4.320 -0.000 0.000 0.244 261 K C -1.271 175.282 176.600 -0.079 0.000 0.973 261 K CA -0.982 55.353 56.287 0.080 0.000 0.828 261 K CB 2.665 35.154 32.500 -0.020 0.000 1.226 261 K HN 0.347 nan 8.250 nan 0.000 0.437 262 L N 0.998 121.928 121.223 -0.488 0.000 2.409 262 L HA 0.487 4.827 4.340 -0.000 0.000 0.272 262 L C -0.892 175.646 176.870 -0.552 0.000 0.980 262 L CA -0.480 53.910 54.840 -0.751 0.000 0.826 262 L CB 1.744 42.906 42.059 -1.495 0.000 1.268 262 L HN 0.802 nan 8.230 nan 0.000 0.407 263 A N 3.175 125.860 122.820 -0.225 0.000 2.305 263 A HA 0.917 5.237 4.320 -0.000 0.000 0.322 263 A C -0.464 177.090 177.584 -0.049 0.000 1.187 263 A CA -0.122 51.886 52.037 -0.048 0.000 0.825 263 A CB 0.981 20.075 19.000 0.157 0.000 1.164 263 A HN 0.847 nan 8.150 nan 0.000 0.498 264 A N 2.020 124.805 122.820 -0.059 0.000 2.337 264 A HA 0.829 5.149 4.320 -0.000 0.000 0.329 264 A C -0.500 176.987 177.584 -0.162 0.000 1.146 264 A CA -0.507 51.377 52.037 -0.255 0.000 0.800 264 A CB 0.531 19.021 19.000 -0.849 0.000 1.220 264 A HN 1.833 nan 8.150 nan 0.000 0.472 265 L N -0.507 120.649 121.223 -0.112 0.000 2.518 265 L HA 0.752 5.092 4.340 -0.000 0.000 0.257 265 L C -1.572 175.320 176.870 0.037 0.000 0.980 265 L CA -0.898 53.962 54.840 0.033 0.000 0.837 265 L CB 1.707 43.873 42.059 0.178 0.000 1.410 265 L HN 0.489 nan 8.230 nan 0.000 0.410 266 L N 2.568 123.871 121.223 0.133 0.000 2.287 266 L HA 0.640 4.980 4.340 -0.000 0.000 0.287 266 L C -0.618 176.337 176.870 0.141 0.000 1.022 266 L CA -0.974 53.935 54.840 0.116 0.000 0.814 266 L CB 1.868 43.995 42.059 0.114 0.000 1.217 266 L HN 0.406 nan 8.230 nan 0.000 0.420 267 V N 4.923 124.852 119.914 0.025 0.000 2.350 267 V HA 0.307 4.427 4.120 -0.000 0.000 0.276 267 V C -1.758 174.334 176.094 -0.004 0.000 1.028 267 V CA -1.693 60.570 62.300 -0.062 0.000 0.860 267 V CB 1.106 32.856 31.823 -0.122 0.000 0.990 267 V HN 0.609 nan 8.190 nan 0.000 0.453 268 P HA 0.144 nan 4.420 nan 0.000 0.270 268 P C -2.585 174.724 177.300 0.014 0.000 1.227 268 P CA -1.052 62.072 63.100 0.041 0.000 0.788 268 P CB -0.108 31.628 31.700 0.060 0.000 0.926 269 P HA 0.024 nan 4.420 nan 0.000 0.271 269 P C 0.806 178.109 177.300 0.004 0.000 1.218 269 P CA 0.800 63.913 63.100 0.021 0.000 0.780 269 P CB 0.012 31.736 31.700 0.041 0.000 0.901 270 G N 0.171 108.969 108.800 -0.004 0.000 2.157 270 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.248 270 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.248 270 G C -0.282 174.603 174.900 -0.025 0.000 0.979 270 G CA -0.085 45.007 45.100 -0.013 0.000 0.650 270 G HN 0.585 nan 8.290 nan 0.000 0.529 271 V N 0.154 120.047 119.914 -0.035 0.000 2.577 271 V HA 0.645 4.765 4.120 -0.000 0.000 0.303 271 V C -0.383 175.672 176.094 -0.065 0.000 1.042 271 V CA -0.895 61.372 62.300 -0.055 0.000 0.872 271 V CB 1.954 33.732 31.823 -0.075 0.000 0.998 271 V HN 0.308 nan 8.190 nan 0.000 0.423 272 E N 6.996 127.157 120.200 -0.065 0.000 2.174 272 E HA 0.543 4.893 4.350 -0.000 0.000 0.282 272 E C -2.360 174.191 176.600 -0.081 0.000 0.992 272 E CA -1.783 54.577 56.400 -0.067 0.000 0.803 272 E CB 1.468 31.134 29.700 -0.057 0.000 1.090 272 E HN 0.481 nan 8.360 nan 0.000 0.396 273 P HA 0.292 nan 4.420 nan 0.000 0.276 273 P C -0.521 176.734 177.300 -0.074 0.000 1.244 273 P CA -0.399 62.643 63.100 -0.096 0.000 0.801 273 P CB 0.795 32.434 31.700 -0.101 0.000 1.006 274 I N -3.203 117.325 120.570 -0.071 0.000 2.828 274 I HA 0.449 4.618 4.170 -0.000 0.000 0.302 274 I C -0.306 175.784 176.117 -0.045 0.000 1.101 274 I CA -1.297 59.972 61.300 -0.051 0.000 1.031 274 I CB 2.540 40.511 38.000 -0.048 0.000 1.231 274 I HN 0.120 nan 8.210 nan 0.000 0.427 275 E N 3.012 123.195 120.200 -0.028 0.000 1.842 275 E HA 0.212 4.562 4.350 -0.000 0.000 0.278 275 E C -0.644 175.939 176.600 -0.028 0.000 1.171 275 E CA -0.070 56.317 56.400 -0.021 0.000 1.127 275 E CB 0.274 29.976 29.700 0.002 0.000 1.100 275 E HN 0.549 nan 8.360 nan 0.000 0.456 276 S N 0.485 116.159 115.700 -0.043 0.000 2.546 276 S HA 0.171 4.640 4.470 -0.000 0.000 0.274 276 S C 0.718 175.278 174.600 -0.066 0.000 1.121 276 S CA -0.864 57.307 58.200 -0.049 0.000 0.887 276 S CB 1.482 64.654 63.200 -0.046 0.000 1.094 276 S HN 0.197 nan 8.310 nan 0.000 0.474 277 V N 2.516 122.387 119.914 -0.073 0.000 3.444 277 V HA 0.076 4.196 4.120 -0.000 0.000 0.271 277 V C 2.251 178.290 176.094 -0.092 0.000 1.188 277 V CA 1.666 63.906 62.300 -0.101 0.000 1.168 277 V CB -1.320 30.434 31.823 -0.115 0.000 0.810 277 V HN 0.869 nan 8.190 nan 0.000 0.500 278 S N 0.865 116.524 115.700 -0.068 0.000 2.382 278 S HA -0.207 4.263 4.470 -0.000 0.000 0.228 278 S C 1.940 176.506 174.600 -0.056 0.000 1.027 278 S CA 1.649 59.817 58.200 -0.053 0.000 0.991 278 S CB -0.467 62.706 63.200 -0.044 0.000 0.823 278 S HN 0.466 nan 8.310 nan 0.000 0.469 279 M N 1.079 120.633 119.600 -0.078 0.000 2.530 279 M HA 0.079 4.559 4.480 -0.000 0.000 0.261 279 M C 1.505 177.764 176.300 -0.069 0.000 1.067 279 M CA 0.882 56.127 55.300 -0.092 0.000 1.071 279 M CB -1.292 31.245 32.600 -0.105 0.000 1.405 279 M HN 0.415 nan 8.290 nan 0.000 0.478 280 L N -0.785 120.364 121.223 -0.123 0.000 2.592 280 L HA 0.010 4.350 4.340 -0.000 0.000 0.227 280 L C 0.808 177.619 176.870 -0.099 0.000 1.127 280 L CA 0.099 54.769 54.840 -0.283 0.000 0.884 280 L CB -0.167 41.651 42.059 -0.402 0.000 1.065 280 L HN 0.311 nan 8.230 nan 0.000 0.457 281 Q N 0.103 119.922 119.800 0.033 0.000 2.579 281 Q HA 0.194 4.534 4.340 -0.000 0.000 0.344 281 Q C -1.201 174.920 176.000 0.202 0.000 0.997 281 Q CA -0.094 55.767 55.803 0.098 0.000 0.991 281 Q CB 0.353 29.123 28.738 0.053 0.000 1.279 281 Q HN 0.223 nan 8.270 nan 0.000 0.420 282 Y N 0.149 120.496 120.300 0.078 0.000 2.624 282 Y HA 0.317 4.867 4.550 -0.000 0.000 0.334 282 Y C -2.690 173.338 175.900 0.213 0.000 1.155 282 Y CA -2.421 55.733 58.100 0.091 0.000 1.046 282 Y CB 1.734 40.220 38.460 0.043 0.000 1.316 282 Y HN 0.010 nan 8.280 nan 0.000 0.457 283 P HA 0.105 nan 4.420 nan 0.000 0.263 283 P C -1.374 175.943 177.300 0.030 0.000 1.195 283 P CA 1.015 63.998 63.100 -0.196 0.000 0.762 283 P CB 0.132 31.596 31.700 -0.394 0.000 0.799 284 H N 1.543 120.592 119.070 -0.034 0.000 3.038 284 H HA 0.485 5.041 4.556 -0.000 0.000 0.362 284 H C -1.049 174.259 175.328 -0.032 0.000 1.167 284 H CA -1.127 54.915 56.048 -0.009 0.000 1.197 284 H CB 1.274 31.069 29.762 0.054 0.000 1.840 284 H HN 0.282 nan 8.280 nan 0.000 0.540 285 V N 1.334 121.205 119.914 -0.071 0.000 2.850 285 V HA 0.830 4.950 4.120 -0.000 0.000 0.315 285 V C -0.524 175.578 176.094 0.013 0.000 1.064 285 V CA -0.928 61.337 62.300 -0.058 0.000 0.979 285 V CB 1.509 33.351 31.823 0.032 0.000 1.039 285 V HN 0.794 nan 8.190 nan 0.000 0.452 286 L N 2.116 123.348 121.223 0.016 0.000 2.455 286 L HA 0.812 5.152 4.340 -0.000 0.000 0.264 286 L C -0.665 176.279 176.870 0.122 0.000 0.968 286 L CA -0.764 54.074 54.840 -0.003 0.000 0.827 286 L CB 1.738 43.607 42.059 -0.317 0.000 1.317 286 L HN 0.838 nan 8.230 nan 0.000 0.407 287 F N -1.392 118.545 119.950 -0.021 0.000 2.470 287 F HA 0.690 5.216 4.527 -0.000 0.000 0.329 287 F C -0.081 175.736 175.800 0.029 0.000 1.072 287 F CA -0.800 57.203 58.000 0.005 0.000 0.989 287 F CB 1.115 40.125 39.000 0.016 0.000 1.193 287 F HN 0.546 nan 8.300 nan 0.000 0.481 288 D N 1.197 121.679 120.400 0.136 0.000 2.294 288 D HA 0.308 4.948 4.640 -0.000 0.000 0.250 288 D C 0.930 177.363 176.300 0.221 0.000 1.058 288 D CA 0.014 54.085 54.000 0.118 0.000 0.950 288 D CB 2.200 43.061 40.800 0.102 0.000 1.158 288 D HN 0.768 nan 8.370 nan 0.000 0.453 289 A N 3.391 126.379 122.820 0.280 0.000 1.978 289 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 289 A C 1.354 179.071 177.584 0.222 0.000 1.170 289 A CA 1.199 53.443 52.037 0.343 0.000 0.636 289 A CB -0.261 18.852 19.000 0.188 0.000 0.810 289 A HN 0.653 nan 8.150 nan 0.000 0.448 290 R N 0.445 121.032 120.500 0.144 0.000 4.231 290 R HA 0.297 4.637 4.340 -0.000 0.000 0.250 290 R C 0.207 176.556 176.300 0.081 0.000 1.600 290 R CA -0.399 55.747 56.100 0.076 0.000 1.523 290 R CB -0.164 30.153 30.300 0.028 0.000 1.422 290 R HN 0.515 nan 8.270 nan 0.000 0.759 291 Q N 1.220 121.093 119.800 0.121 0.000 2.394 291 Q HA 0.049 4.389 4.340 -0.000 0.000 0.248 291 Q C -0.410 175.621 176.000 0.050 0.000 0.992 291 Q CA 0.622 56.488 55.803 0.105 0.000 0.888 291 Q CB 1.157 29.987 28.738 0.152 0.000 1.257 291 Q HN 0.538 nan 8.270 nan 0.000 0.462 292 T N 1.501 116.072 114.554 0.027 0.000 3.156 292 T HA 0.122 4.472 4.350 -0.000 0.000 0.236 292 T C 0.037 174.734 174.700 -0.007 0.000 0.978 292 T CA -0.023 62.081 62.100 0.007 0.000 1.240 292 T CB 0.082 68.951 68.868 0.002 0.000 0.951 292 T HN 0.624 nan 8.240 nan 0.000 0.420 293 E N 2.363 122.552 120.200 -0.018 0.000 2.179 293 E HA 0.411 4.761 4.350 -0.000 0.000 0.275 293 E C -2.851 173.703 176.600 -0.076 0.000 0.945 293 E CA -2.826 53.548 56.400 -0.043 0.000 0.792 293 E CB 1.448 31.123 29.700 -0.043 0.000 1.125 293 E HN -0.004 nan 8.360 nan 0.000 0.397 294 P HA -0.098 nan 4.420 nan 0.000 0.266 294 P C -1.205 175.936 177.300 -0.264 0.000 1.186 294 P CA 0.065 63.054 63.100 -0.185 0.000 0.767 294 P CB 0.465 32.033 31.700 -0.219 0.000 0.820 295 V N 4.484 124.162 119.914 -0.393 0.000 2.435 295 V HA 0.375 4.495 4.120 -0.000 0.000 0.290 295 V C 0.396 176.071 176.094 -0.699 0.000 1.030 295 V CA -0.375 61.571 62.300 -0.590 0.000 0.881 295 V CB 1.239 32.519 31.823 -0.905 0.000 0.983 295 V HN 0.354 nan 8.190 nan 0.000 0.445 296 I N 4.830 125.030 120.570 -0.616 0.000 2.362 296 I HA 0.471 4.641 4.170 -0.000 0.000 0.289 296 I C -0.889 174.956 176.117 -0.453 0.000 0.994 296 I CA -0.139 60.885 61.300 -0.460 0.000 1.158 296 I CB 1.361 39.239 38.000 -0.203 0.000 1.315 296 I HN 0.450 nan 8.210 nan 0.000 0.451 297 F N 3.440 123.406 119.950 0.027 0.000 2.444 297 F HA 0.347 4.874 4.527 -0.000 0.000 0.342 297 F C 0.679 176.531 175.800 0.086 0.000 1.121 297 F CA -0.813 57.217 58.000 0.050 0.000 0.997 297 F CB 2.071 41.114 39.000 0.072 0.000 1.130 297 F HN 0.290 nan 8.300 nan 0.000 0.454 298 T N 5.117 119.833 114.554 0.269 0.000 2.758 298 T HA 0.535 4.885 4.350 -0.000 0.000 0.285 298 T C -0.400 174.407 174.700 0.180 0.000 0.981 298 T CA -0.580 61.633 62.100 0.189 0.000 0.965 298 T CB 0.136 69.085 68.868 0.135 0.000 0.927 298 T HN 0.434 nan 8.240 nan 0.000 0.448 299 I N 7.813 128.484 120.570 0.168 0.000 2.322 299 I HA 0.280 4.450 4.170 -0.000 0.000 0.292 299 I C -2.012 174.192 176.117 0.146 0.000 1.060 299 I CA -2.296 59.096 61.300 0.153 0.000 1.309 299 I CB 0.960 39.050 38.000 0.150 0.000 1.415 299 I HN 0.453 nan 8.210 nan 0.000 0.492 300 P HA 0.024 nan 4.420 nan 0.000 0.272 300 P C -0.696 176.692 177.300 0.146 0.000 1.230 300 P CA -0.234 62.939 63.100 0.122 0.000 0.788 300 P CB 0.584 32.342 31.700 0.097 0.000 0.949 301 D N 1.987 122.476 120.400 0.147 0.000 2.505 301 D HA 0.200 4.840 4.640 -0.000 0.000 0.242 301 D C -0.471 175.900 176.300 0.118 0.000 1.136 301 D CA -0.286 53.821 54.000 0.179 0.000 0.954 301 D CB -0.691 40.232 40.800 0.205 0.000 1.002 301 D HN 0.176 nan 8.370 nan 0.000 0.512 302 I N 4.461 125.098 120.570 0.110 0.000 2.379 302 I HA 0.232 4.402 4.170 -0.000 0.000 0.290 302 I C 0.869 177.023 176.117 0.063 0.000 1.063 302 I CA -0.173 61.168 61.300 0.069 0.000 1.351 302 I CB 0.313 38.353 38.000 0.067 0.000 1.410 302 I HN 0.261 nan 8.210 nan 0.000 0.505 303 R N 5.659 126.158 120.500 -0.001 0.000 2.764 303 R HA 0.506 4.846 4.340 -0.000 0.000 0.270 303 R C -0.797 175.446 176.300 -0.095 0.000 1.014 303 R CA -1.108 54.959 56.100 -0.056 0.000 0.904 303 R CB 1.433 31.601 30.300 -0.220 0.000 1.236 303 R HN 0.547 nan 8.270 nan 0.000 0.466 304 K N -0.196 120.136 120.400 -0.114 0.000 2.455 304 K HA 0.198 4.518 4.320 -0.000 0.000 0.206 304 K C -0.817 175.686 176.600 -0.162 0.000 1.027 304 K CA -0.343 55.878 56.287 -0.110 0.000 1.113 304 K CB 0.989 33.444 32.500 -0.076 0.000 0.850 304 K HN 0.696 nan 8.250 nan 0.000 0.503 305 T N -2.167 112.240 114.554 -0.244 0.000 2.900 305 T HA 0.348 4.698 4.350 -0.000 0.000 0.295 305 T C 0.967 175.440 174.700 -0.377 0.000 1.044 305 T CA -1.016 60.885 62.100 -0.332 0.000 0.995 305 T CB 1.482 70.091 68.868 -0.431 0.000 1.072 305 T HN 0.001 nan 8.240 nan 0.000 0.473 306 L N 0.372 121.381 121.223 -0.356 0.000 2.129 306 L HA 0.043 4.383 4.340 -0.000 0.000 0.212 306 L C 0.650 177.404 176.870 -0.194 0.000 1.087 306 L CA 1.671 56.377 54.840 -0.223 0.000 0.757 306 L CB -0.668 41.329 42.059 -0.104 0.000 0.896 306 L HN 0.764 nan 8.230 nan 0.000 0.434 307 F N -4.560 115.195 119.950 -0.326 0.000 2.877 307 F HA 0.539 5.066 4.527 -0.000 0.000 0.319 307 F C -0.498 174.951 175.800 -0.584 0.000 1.174 307 F CA -1.512 56.218 58.000 -0.450 0.000 0.903 307 F CB 0.761 39.598 39.000 -0.272 0.000 1.357 307 F HN -0.284 nan 8.300 nan 0.000 0.472 308 H N 0.291 119.280 119.070 -0.136 0.000 2.479 308 H HA 0.525 5.081 4.556 -0.000 0.000 0.335 308 H C -0.877 174.455 175.328 0.007 0.000 1.142 308 H CA -0.609 55.221 56.048 -0.365 0.000 1.234 308 H CB 2.097 31.127 29.762 -1.220 0.000 1.503 308 H HN 0.670 nan 8.280 nan 0.000 0.510 309 S N 2.296 118.125 115.700 0.214 0.000 2.480 309 S HA 0.085 4.555 4.470 -0.000 0.000 0.286 309 S C 1.536 176.337 174.600 0.335 0.000 1.180 309 S CA -0.815 57.557 58.200 0.287 0.000 1.075 309 S CB 0.353 63.689 63.200 0.226 0.000 0.996 309 S HN 0.451 nan 8.310 nan 0.000 0.487 310 M N 3.439 123.257 119.600 0.364 0.000 2.408 310 M HA -0.189 4.291 4.480 -0.000 0.000 0.256 310 M C 1.218 177.696 176.300 0.297 0.000 1.090 310 M CA 1.683 57.208 55.300 0.374 0.000 1.038 310 M CB -1.821 30.932 32.600 0.254 0.000 1.385 310 M HN 0.834 nan 8.290 nan 0.000 0.432 311 D N -1.185 119.366 120.400 0.252 0.000 2.305 311 D HA -0.010 4.630 4.640 -0.000 0.000 0.206 311 D C 0.673 177.088 176.300 0.191 0.000 0.974 311 D CA 0.005 54.129 54.000 0.207 0.000 0.871 311 D CB -0.142 40.783 40.800 0.208 0.000 0.947 311 D HN 0.338 nan 8.370 nan 0.000 0.516 312 E N -0.177 120.147 120.200 0.207 0.000 2.452 312 E HA 0.073 4.423 4.350 -0.000 0.000 0.261 312 E C 0.742 177.455 176.600 0.187 0.000 0.987 312 E CA 0.708 57.206 56.400 0.163 0.000 0.926 312 E CB 0.735 30.536 29.700 0.168 0.000 0.934 312 E HN 0.395 nan 8.360 nan 0.000 0.452 313 T N -0.369 114.258 114.554 0.121 0.000 3.048 313 T HA -0.004 4.346 4.350 -0.000 0.000 0.254 313 T C 0.500 175.241 174.700 0.068 0.000 0.942 313 T CA -0.248 61.920 62.100 0.112 0.000 0.931 313 T CB 0.069 68.999 68.868 0.103 0.000 1.220 313 T HN 0.328 nan 8.240 nan 0.000 0.503 314 D N 3.690 124.118 120.400 0.048 0.000 2.482 314 D HA 0.263 4.903 4.640 -0.000 0.000 0.244 314 D C 0.430 176.755 176.300 0.041 0.000 1.242 314 D CA 0.486 54.506 54.000 0.033 0.000 1.097 314 D CB -0.128 40.686 40.800 0.023 0.000 1.109 314 D HN 0.700 nan 8.370 nan 0.000 0.510 315 T N -0.912 113.670 114.554 0.046 0.000 2.773 315 T HA 0.479 4.829 4.350 -0.000 0.000 0.278 315 T C 0.280 175.022 174.700 0.070 0.000 1.011 315 T CA -0.904 61.237 62.100 0.068 0.000 1.014 315 T CB 0.777 69.703 68.868 0.096 0.000 1.293 315 T HN 0.047 nan 8.240 nan 0.000 0.554 316 T N 1.714 116.325 114.554 0.096 0.000 2.946 316 T HA 0.287 4.637 4.350 -0.000 0.000 0.311 316 T C -0.101 174.636 174.700 0.061 0.000 1.063 316 T CA 0.095 62.243 62.100 0.081 0.000 1.139 316 T CB 0.112 69.044 68.868 0.107 0.000 0.994 316 T HN 0.712 nan 8.240 nan 0.000 0.547 317 K N 2.240 122.660 120.400 0.034 0.000 2.345 317 K HA 0.540 4.860 4.320 -0.000 0.000 0.255 317 K C -1.232 175.380 176.600 0.020 0.000 0.934 317 K CA -0.908 55.383 56.287 0.007 0.000 0.801 317 K CB 0.903 33.382 32.500 -0.035 0.000 1.137 317 K HN 0.320 nan 8.250 nan 0.000 0.424 318 L N 5.311 126.562 121.223 0.047 0.000 2.276 318 L HA 0.482 4.822 4.340 -0.000 0.000 0.286 318 L C -1.423 175.487 176.870 0.067 0.000 1.061 318 L CA -0.206 54.693 54.840 0.098 0.000 0.807 318 L CB 1.394 43.601 42.059 0.247 0.000 1.177 318 L HN 0.461 nan 8.230 nan 0.000 0.429 319 V N 6.291 126.226 119.914 0.034 0.000 2.604 319 V HA 0.536 4.655 4.120 -0.000 0.000 0.305 319 V C -0.463 175.646 176.094 0.025 0.000 1.043 319 V CA -0.637 61.672 62.300 0.014 0.000 0.888 319 V CB 2.004 33.804 31.823 -0.038 0.000 0.995 319 V HN 0.499 nan 8.190 nan 0.000 0.429 320 I N 5.042 125.652 120.570 0.068 0.000 2.411 320 I HA 0.493 4.663 4.170 -0.000 0.000 0.284 320 I C -0.242 175.849 176.117 -0.043 0.000 1.012 320 I CA -0.254 61.048 61.300 0.003 0.000 1.119 320 I CB 1.378 39.411 38.000 0.054 0.000 1.261 320 I HN 0.654 nan 8.210 nan 0.000 0.448 321 M N 5.731 125.280 119.600 -0.085 0.000 2.578 321 M HA 0.538 5.018 4.480 -0.000 0.000 0.321 321 M C -0.977 175.240 176.300 -0.139 0.000 1.182 321 M CA -0.742 54.507 55.300 -0.085 0.000 0.965 321 M CB 2.266 34.832 32.600 -0.057 0.000 1.694 321 M HN 0.213 nan 8.290 nan 0.000 0.461 322 V N 5.006 124.853 119.914 -0.112 0.000 2.415 322 V HA -0.018 4.102 4.120 -0.000 0.000 0.267 322 V C 0.060 176.164 176.094 0.017 0.000 1.042 322 V CA 0.316 62.559 62.300 -0.096 0.000 1.000 322 V CB -0.012 31.821 31.823 0.015 0.000 1.015 322 V HN 0.937 nan 8.190 nan 0.000 0.478 323 Y N 5.106 125.345 120.300 -0.102 0.000 2.163 323 Y HA 0.131 4.681 4.550 -0.000 0.000 0.288 323 Y C 1.221 177.131 175.900 0.016 0.000 1.112 323 Y CA 1.160 59.232 58.100 -0.046 0.000 1.104 323 Y CB 0.405 38.838 38.460 -0.046 0.000 1.016 323 Y HN 0.568 nan 8.280 nan 0.000 0.497 324 N N 0.918 119.818 118.700 0.333 0.000 2.372 324 N HA 0.164 4.904 4.740 -0.000 0.000 0.285 324 N C -1.535 174.130 175.510 0.257 0.000 1.008 324 N CA -0.580 52.612 53.050 0.236 0.000 0.880 324 N CB 1.352 40.003 38.487 0.273 0.000 1.239 324 N HN 0.152 nan 8.380 nan 0.000 0.484 325 E N 1.473 121.773 120.200 0.167 0.000 2.529 325 E HA -0.066 4.284 4.350 -0.000 0.000 0.259 325 E C -0.322 176.308 176.600 0.050 0.000 0.966 325 E CA -0.061 56.429 56.400 0.152 0.000 0.937 325 E CB 0.435 30.170 29.700 0.058 0.000 0.923 325 E HN 0.291 nan 8.360 nan 0.000 0.468 326 L N 4.695 125.855 121.223 -0.106 0.000 2.485 326 L HA 0.241 4.581 4.340 -0.000 0.000 0.275 326 L C -0.423 176.219 176.870 -0.380 0.000 1.207 326 L CA 0.629 55.147 54.840 -0.538 0.000 0.855 326 L CB 0.320 41.628 42.059 -1.252 0.000 1.114 326 L HN 0.623 nan 8.230 nan 0.000 0.485 327 I N 4.944 125.289 120.570 -0.375 0.000 2.656 327 I HA 0.373 4.543 4.170 -0.000 0.000 0.292 327 I C -1.579 174.325 176.117 -0.356 0.000 1.144 327 I CA -0.582 60.543 61.300 -0.292 0.000 1.038 327 I CB 1.688 39.603 38.000 -0.142 0.000 1.244 327 I HN 0.844 nan 8.210 nan 0.000 0.420 328 N N 8.248 126.741 118.700 -0.346 0.000 2.442 328 N HA 0.471 5.211 4.740 -0.000 0.000 0.274 328 N C -2.135 173.314 175.510 -0.100 0.000 1.002 328 N CA -1.845 51.033 53.050 -0.288 0.000 0.910 328 N CB 2.109 40.330 38.487 -0.444 0.000 1.244 328 N HN 0.402 nan 8.380 nan 0.000 0.492 329 P HA -0.181 nan 4.420 nan 0.000 0.214 329 P C 0.820 178.232 177.300 0.185 0.000 1.162 329 P CA 1.265 64.394 63.100 0.049 0.000 0.879 329 P CB -0.083 31.651 31.700 0.058 0.000 0.786 330 Y N 0.164 120.494 120.300 0.049 0.000 2.651 330 Y HA -0.065 4.485 4.550 -0.000 0.000 0.293 330 Y C 1.576 177.492 175.900 0.026 0.000 1.151 330 Y CA -0.534 57.591 58.100 0.042 0.000 1.362 330 Y CB -0.307 38.191 38.460 0.062 0.000 0.973 330 Y HN 0.168 nan 8.280 nan 0.000 0.561 331 E N 1.975 122.259 120.200 0.139 0.000 2.373 331 E HA 0.000 4.350 4.350 -0.000 0.000 0.267 331 E C -0.202 176.425 176.600 0.046 0.000 1.032 331 E CA -0.576 55.859 56.400 0.059 0.000 0.889 331 E CB 0.516 30.202 29.700 -0.022 0.000 0.984 331 E HN 0.283 nan 8.360 nan 0.000 0.425 332 N N 2.041 120.760 118.700 0.032 0.000 2.371 332 N HA -0.028 4.712 4.740 -0.000 0.000 0.243 332 N C 0.756 176.271 175.510 0.009 0.000 1.287 332 N CA 0.376 53.439 53.050 0.022 0.000 0.911 332 N CB 0.649 39.146 38.487 0.017 0.000 1.142 332 N HN 0.680 nan 8.380 nan 0.000 0.451 333 G N -0.175 108.630 108.800 0.008 0.000 2.551 333 G HA2 0.016 3.976 3.960 -0.000 0.000 0.216 333 G HA3 0.016 3.976 3.960 -0.000 0.000 0.216 333 G C 0.586 175.485 174.900 -0.002 0.000 1.137 333 G CA -0.005 45.096 45.100 0.002 0.000 0.798 333 G HN 0.378 nan 8.290 nan 0.000 0.536 334 V N 0.756 120.670 119.914 0.001 0.000 2.999 334 V HA 0.067 4.187 4.120 -0.000 0.000 0.307 334 V C 0.754 176.846 176.094 -0.004 0.000 1.084 334 V CA -0.621 61.679 62.300 -0.000 0.000 1.155 334 V CB 1.241 33.066 31.823 0.002 0.000 0.975 334 V HN 0.327 nan 8.190 nan 0.000 0.490 335 E N 3.543 123.741 120.200 -0.004 0.000 2.175 335 E HA 0.035 4.385 4.350 -0.000 0.000 0.247 335 E C -0.181 176.416 176.600 -0.005 0.000 1.259 335 E CA 0.807 57.203 56.400 -0.006 0.000 0.969 335 E CB -0.596 29.101 29.700 -0.005 0.000 1.051 335 E HN 0.767 nan 8.360 nan 0.000 0.448 336 N N 2.374 121.068 118.700 -0.010 0.000 3.316 336 N HA 0.576 5.316 4.740 -0.000 0.000 0.300 336 N C -1.639 173.858 175.510 -0.021 0.000 1.567 336 N CA -1.121 51.924 53.050 -0.009 0.000 0.821 336 N CB 0.957 39.442 38.487 -0.003 0.000 1.748 336 N HN 0.177 nan 8.380 nan 0.000 0.603 337 K N -0.728 119.657 120.400 -0.024 0.000 2.610 337 K HA 0.359 4.678 4.320 -0.000 0.000 0.267 337 K C -1.579 174.990 176.600 -0.051 0.000 0.943 337 K CA -0.861 55.397 56.287 -0.048 0.000 0.862 337 K CB 0.605 33.084 32.500 -0.034 0.000 1.376 337 K HN 0.448 nan 8.250 nan 0.000 0.412 338 T N -1.648 112.838 114.554 -0.112 0.000 2.952 338 T HA 0.772 5.122 4.350 -0.000 0.000 0.286 338 T C -0.501 174.116 174.700 -0.139 0.000 1.024 338 T CA -0.705 61.326 62.100 -0.115 0.000 1.029 338 T CB 1.929 70.676 68.868 -0.201 0.000 1.094 338 T HN 0.722 nan 8.240 nan 0.000 0.515 339 T N -0.606 113.918 114.554 -0.051 0.000 2.900 339 T HA 0.512 4.862 4.350 -0.000 0.000 0.295 339 T C -1.334 173.414 174.700 0.080 0.000 1.044 339 T CA -0.741 61.354 62.100 -0.008 0.000 0.995 339 T CB 1.236 70.144 68.868 0.068 0.000 1.072 339 T HN 1.042 nan 8.240 nan 0.000 0.473 340 C N 5.116 124.472 119.300 0.093 0.000 2.321 340 C HA 0.746 5.206 4.460 -0.000 0.000 0.323 340 C C 0.366 175.515 174.990 0.264 0.000 1.191 340 C CA -0.565 58.582 59.018 0.215 0.000 1.455 340 C CB -1.141 26.700 27.740 0.169 0.000 2.083 340 C HN 0.945 nan 8.230 nan 0.000 0.442 341 S N 5.995 121.823 115.700 0.213 0.000 2.576 341 S HA 0.662 5.132 4.470 -0.000 0.000 0.276 341 S C -0.494 174.234 174.600 0.212 0.000 1.339 341 S CA -0.328 57.989 58.200 0.196 0.000 1.039 341 S CB 0.607 63.891 63.200 0.140 0.000 0.902 341 S HN 0.744 nan 8.310 nan 0.000 0.516 342 I N 1.543 122.231 120.570 0.197 0.000 2.534 342 I HA 0.265 4.435 4.170 -0.000 0.000 0.288 342 I C -0.565 175.606 176.117 0.090 0.000 1.077 342 I CA -0.476 60.936 61.300 0.187 0.000 1.051 342 I CB 2.402 40.563 38.000 0.269 0.000 1.234 342 I HN 0.501 nan 8.210 nan 0.000 0.425 343 T N 5.357 119.930 114.554 0.032 0.000 2.795 343 T HA 0.476 4.826 4.350 -0.000 0.000 0.282 343 T C -0.192 174.355 174.700 -0.254 0.000 0.980 343 T CA -0.439 61.624 62.100 -0.060 0.000 1.012 343 T CB 1.765 70.650 68.868 0.028 0.000 0.936 343 T HN 0.187 nan 8.240 nan 0.000 0.457 344 V N 4.516 124.161 119.914 -0.448 0.000 2.370 344 V HA 0.430 4.550 4.120 -0.000 0.000 0.283 344 V C 0.147 175.930 176.094 -0.518 0.000 1.023 344 V CA -0.676 61.203 62.300 -0.702 0.000 0.857 344 V CB 1.213 32.469 31.823 -0.944 0.000 0.985 344 V HN 0.855 nan 8.190 nan 0.000 0.443 345 E N 2.373 122.324 120.200 -0.414 0.000 2.339 345 E HA 0.798 5.148 4.350 -0.000 0.000 0.262 345 E C -0.700 175.885 176.600 -0.025 0.000 0.934 345 E CA -0.829 55.483 56.400 -0.148 0.000 0.802 345 E CB 2.568 32.268 29.700 -0.002 0.000 1.275 345 E HN 0.767 nan 8.360 nan 0.000 0.427 346 T N -1.264 113.361 114.554 0.119 0.000 2.896 346 T HA 0.648 4.998 4.350 -0.000 0.000 0.297 346 T C -0.747 173.925 174.700 -0.047 0.000 1.108 346 T CA -1.076 61.077 62.100 0.088 0.000 1.004 346 T CB 2.041 70.820 68.868 -0.147 0.000 1.159 346 T HN 0.472 nan 8.240 nan 0.000 0.499 347 R N 1.780 122.140 120.500 -0.233 0.000 2.510 347 R HA 0.411 4.751 4.340 -0.000 0.000 0.287 347 R C -3.131 172.955 176.300 -0.357 0.000 1.084 347 R CA -1.993 53.796 56.100 -0.518 0.000 0.934 347 R CB 2.078 31.713 30.300 -1.107 0.000 1.201 347 R HN 0.493 nan 8.270 nan 0.000 0.431 348 P HA 0.022 nan 4.420 nan 0.000 0.267 348 P C -0.532 176.657 177.300 -0.184 0.000 1.205 348 P CA 0.156 63.037 63.100 -0.365 0.000 0.765 348 P CB 1.084 32.477 31.700 -0.511 0.000 0.828 349 S N 2.293 117.958 115.700 -0.059 0.000 2.587 349 S HA 0.182 4.652 4.470 -0.000 0.000 0.260 349 S C 1.874 176.494 174.600 0.034 0.000 1.353 349 S CA 0.033 58.235 58.200 0.004 0.000 0.995 349 S CB 0.273 63.514 63.200 0.069 0.000 0.912 349 S HN 0.589 nan 8.310 nan 0.000 0.568 350 A N 1.492 124.320 122.820 0.014 0.000 1.972 350 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 350 A C 1.708 179.315 177.584 0.038 0.000 1.169 350 A CA 1.653 53.696 52.037 0.009 0.000 0.635 350 A CB -0.653 18.343 19.000 -0.006 0.000 0.810 350 A HN 0.914 nan 8.150 nan 0.000 0.446 351 D N -1.736 118.698 120.400 0.057 0.000 2.349 351 D HA -0.013 4.627 4.640 -0.000 0.000 0.224 351 D C 0.331 176.661 176.300 0.050 0.000 1.029 351 D CA -0.289 53.737 54.000 0.044 0.000 0.879 351 D CB -0.360 40.464 40.800 0.040 0.000 0.906 351 D HN 0.350 nan 8.370 nan 0.000 0.528 352 F N 2.325 122.252 119.950 -0.038 0.000 2.399 352 F HA 0.342 4.868 4.527 -0.000 0.000 0.342 352 F C -0.069 175.655 175.800 -0.126 0.000 1.106 352 F CA 0.386 58.347 58.000 -0.064 0.000 1.196 352 F CB 1.055 39.991 39.000 -0.105 0.000 1.163 352 F HN -0.176 nan 8.300 nan 0.000 0.547 353 T N 3.970 118.034 114.554 -0.817 0.000 2.977 353 T HA 0.329 4.679 4.350 -0.000 0.000 0.345 353 T C -1.068 173.255 174.700 -0.629 0.000 1.562 353 T CA -0.799 61.007 62.100 -0.490 0.000 1.090 353 T CB 0.546 69.279 68.868 -0.226 0.000 1.383 353 T HN 0.390 nan 8.240 nan 0.000 0.484 354 F N 1.104 120.853 119.950 -0.336 0.000 2.385 354 F HA 0.638 5.165 4.527 -0.000 0.000 0.336 354 F C 1.342 176.864 175.800 -0.464 0.000 1.100 354 F CA -0.698 56.965 58.000 -0.561 0.000 1.116 354 F CB 1.342 39.571 39.000 -1.285 0.000 1.166 354 F HN 0.895 nan 8.300 nan 0.000 0.511 355 A N 3.844 126.644 122.820 -0.033 0.000 2.536 355 A HA 0.471 4.791 4.320 -0.000 0.000 0.219 355 A C 0.066 177.743 177.584 0.155 0.000 1.926 355 A CA 0.055 52.080 52.037 -0.020 0.000 0.710 355 A CB -0.323 18.536 19.000 -0.235 0.000 1.364 355 A HN 0.600 nan 8.150 nan 0.000 0.522 356 L N 0.638 121.926 121.223 0.108 0.000 2.360 356 L HA 0.438 4.778 4.340 -0.000 0.000 0.271 356 L C -0.437 176.538 176.870 0.176 0.000 1.057 356 L CA -0.512 54.394 54.840 0.109 0.000 0.803 356 L CB 1.205 43.256 42.059 -0.013 0.000 1.207 356 L HN 0.372 nan 8.230 nan 0.000 0.445 357 L N 2.149 123.383 121.223 0.019 0.000 2.436 357 L HA 0.270 4.610 4.340 -0.000 0.000 0.265 357 L C 0.300 177.115 176.870 -0.090 0.000 1.168 357 L CA -0.096 54.637 54.840 -0.177 0.000 0.815 357 L CB 0.799 42.716 42.059 -0.236 0.000 1.109 357 L HN 0.590 nan 8.230 nan 0.000 0.462 358 K N 3.695 124.023 120.400 -0.120 0.000 2.235 358 K HA 0.400 4.720 4.320 -0.000 0.000 0.266 358 K C -2.492 174.059 176.600 -0.081 0.000 0.980 358 K CA -1.752 54.496 56.287 -0.066 0.000 0.849 358 K CB 1.592 34.066 32.500 -0.044 0.000 1.098 358 K HN 0.165 nan 8.250 nan 0.000 0.445 359 P HA 0.022 nan 4.420 nan 0.000 0.256 359 P C -2.449 174.816 177.300 -0.058 0.000 1.189 359 P CA -0.678 62.390 63.100 -0.053 0.000 0.808 359 P CB -0.017 31.661 31.700 -0.036 0.000 0.793 360 P HA -0.097 nan 4.420 nan 0.000 0.260 360 P C 1.055 178.322 177.300 -0.054 0.000 1.172 360 P CA 1.263 64.322 63.100 -0.068 0.000 0.760 360 P CB 0.311 31.969 31.700 -0.070 0.000 0.773 361 G N 2.121 110.888 108.800 -0.055 0.000 2.232 361 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.226 361 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.226 361 G C 0.356 175.228 174.900 -0.047 0.000 0.996 361 G CA 0.240 45.311 45.100 -0.049 0.000 0.626 361 G HN 0.861 nan 8.290 nan 0.000 0.509 362 S N 0.595 116.269 115.700 -0.044 0.000 2.600 362 S HA 0.729 5.199 4.470 -0.000 0.000 0.265 362 S C 0.572 175.148 174.600 -0.040 0.000 1.325 362 S CA -0.299 57.879 58.200 -0.037 0.000 1.002 362 S CB 1.470 64.653 63.200 -0.029 0.000 0.921 362 S HN 0.711 nan 8.310 nan 0.000 0.554 363 L N 0.408 121.609 121.223 -0.035 0.000 2.376 363 L HA 0.555 4.895 4.340 -0.000 0.000 0.267 363 L C -0.181 176.678 176.870 -0.019 0.000 1.035 363 L CA -1.049 53.767 54.840 -0.039 0.000 0.800 363 L CB 0.695 42.728 42.059 -0.042 0.000 1.290 363 L HN 0.620 nan 8.230 nan 0.000 0.462 364 I N 1.031 121.593 120.570 -0.013 0.000 2.307 364 I HA 0.127 4.297 4.170 -0.000 0.000 0.287 364 I C 1.006 177.134 176.117 0.019 0.000 1.054 364 I CA -0.294 61.023 61.300 0.028 0.000 1.218 364 I CB 1.225 39.258 38.000 0.056 0.000 1.398 364 I HN 0.639 nan 8.210 nan 0.000 0.475 365 K N 3.235 123.625 120.400 -0.017 0.000 2.056 365 K HA -0.285 4.035 4.320 -0.000 0.000 0.225 365 K C 1.671 178.187 176.600 -0.139 0.000 1.053 365 K CA 2.050 58.267 56.287 -0.117 0.000 0.966 365 K CB -0.111 32.260 32.500 -0.215 0.000 0.735 365 K HN 0.619 nan 8.250 nan 0.000 0.455 366 H N -1.023 118.082 119.070 0.058 0.000 2.546 366 H HA 0.106 4.662 4.556 -0.000 0.000 0.277 366 H C 0.719 176.094 175.328 0.077 0.000 1.004 366 H CA 1.102 57.191 56.048 0.068 0.000 1.231 366 H CB 0.278 30.084 29.762 0.073 0.000 1.382 366 H HN 0.469 nan 8.280 nan 0.000 0.580 367 G N 0.788 109.678 108.800 0.150 0.000 3.233 367 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 367 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 367 G C -0.472 174.494 174.900 0.109 0.000 1.153 367 G CA -0.301 44.866 45.100 0.112 0.000 0.853 367 G HN 0.210 nan 8.290 nan 0.000 0.582 368 S N 1.510 117.222 115.700 0.021 0.000 2.568 368 S HA 0.339 4.809 4.470 -0.000 0.000 0.282 368 S C 1.360 176.044 174.600 0.141 0.000 1.338 368 S CA -0.206 58.004 58.200 0.016 0.000 1.045 368 S CB 0.642 63.748 63.200 -0.158 0.000 0.873 368 S HN 0.603 nan 8.310 nan 0.000 0.516 369 I N 4.558 125.218 120.570 0.149 0.000 2.618 369 I HA 0.105 4.275 4.170 -0.000 0.000 0.284 369 I C -1.608 174.623 176.117 0.190 0.000 1.146 369 I CA -1.693 59.712 61.300 0.175 0.000 1.425 369 I CB 0.443 38.525 38.000 0.136 0.000 1.383 369 I HN 0.392 nan 8.210 nan 0.000 0.562 370 P HA 0.027 nan 4.420 nan 0.000 0.241 370 P C 0.150 177.113 177.300 -0.562 0.000 1.760 370 P CA -0.115 62.996 63.100 0.018 0.000 1.081 370 P CB -0.138 31.718 31.700 0.260 0.000 1.975 371 S N 0.192 115.484 115.700 -0.680 0.000 2.574 371 S HA 0.154 4.624 4.470 -0.000 0.000 0.242 371 S C 0.418 174.788 174.600 -0.382 0.000 0.982 371 S CA -0.439 56.974 58.200 -1.313 0.000 0.977 371 S CB -0.374 62.249 63.200 -0.962 0.000 0.814 371 S HN 0.288 nan 8.310 nan 0.000 0.464 372 D N 0.286 120.614 120.400 -0.119 0.000 2.881 372 D HA 0.129 4.769 4.640 -0.000 0.000 0.325 372 D C 0.707 176.948 176.300 -0.099 0.000 1.621 372 D CA -0.419 53.585 54.000 0.005 0.000 0.785 372 D CB -0.984 39.824 40.800 0.013 0.000 1.233 372 D HN 0.385 nan 8.370 nan 0.000 0.447 373 L N -0.218 120.913 121.223 -0.153 0.000 2.492 373 L HA 0.327 4.667 4.340 -0.000 0.000 0.223 373 L C 0.528 177.091 176.870 -0.511 0.000 1.132 373 L CA 0.734 55.331 54.840 -0.405 0.000 0.850 373 L CB 0.065 41.868 42.059 -0.426 0.000 0.966 373 L HN 0.062 nan 8.230 nan 0.000 0.454 374 I N -0.227 120.016 120.570 -0.545 0.000 2.478 374 I HA 0.319 4.489 4.170 -0.000 0.000 0.287 374 I C -2.340 173.720 176.117 -0.094 0.000 1.042 374 I CA -2.043 58.948 61.300 -0.515 0.000 1.067 374 I CB 2.141 39.681 38.000 -0.767 0.000 1.233 374 I HN -0.289 nan 8.210 nan 0.000 0.431 375 P HA 0.051 nan 4.420 nan 0.000 0.267 375 P C 0.031 177.546 177.300 0.358 0.000 1.201 375 P CA -0.135 63.124 63.100 0.264 0.000 0.775 375 P CB 0.593 32.540 31.700 0.411 0.000 0.854 376 R N 0.686 121.314 120.500 0.214 0.000 2.092 376 R HA 0.024 4.364 4.340 -0.000 0.000 0.231 376 R C 0.491 176.814 176.300 0.037 0.000 1.119 376 R CA 1.327 57.514 56.100 0.146 0.000 0.970 376 R CB -0.707 29.646 30.300 0.088 0.000 0.864 376 R HN 0.436 nan 8.270 nan 0.000 0.440 377 N N 0.194 118.846 118.700 -0.081 0.000 2.400 377 N HA 0.058 4.798 4.740 -0.000 0.000 0.288 377 N C 0.065 175.203 175.510 -0.620 0.000 1.024 377 N CA 0.059 52.910 53.050 -0.332 0.000 0.894 377 N CB 1.885 40.121 38.487 -0.418 0.000 1.173 377 N HN 0.140 nan 8.380 nan 0.000 0.487 378 S N 0.474 115.574 115.700 -0.999 0.000 2.537 378 S HA -0.104 4.366 4.470 -0.000 0.000 0.240 378 S C 1.571 175.760 174.600 -0.686 0.000 0.981 378 S CA 0.599 57.801 58.200 -1.663 0.000 0.948 378 S CB -0.059 62.245 63.200 -1.492 0.000 0.759 378 S HN 0.612 nan 8.310 nan 0.000 0.531 379 A N 1.162 123.714 122.820 -0.447 0.000 2.119 379 A HA 0.030 4.350 4.320 -0.000 0.000 0.217 379 A C 1.330 178.942 177.584 0.046 0.000 1.153 379 A CA 0.756 52.681 52.037 -0.187 0.000 0.692 379 A CB -0.506 18.359 19.000 -0.226 0.000 0.799 379 A HN 0.653 nan 8.150 nan 0.000 0.458 380 H N -2.559 116.515 119.070 0.007 0.000 2.488 380 H HA 0.148 4.704 4.556 -0.000 0.000 0.294 380 H C -1.050 174.461 175.328 0.305 0.000 1.088 380 H CA -1.315 54.810 56.048 0.129 0.000 1.086 380 H CB -0.330 29.500 29.762 0.112 0.000 1.569 380 H HN 0.530 nan 8.280 nan 0.000 0.548 381 W N 1.928 123.284 121.300 0.092 0.000 2.228 381 W HA 0.382 5.042 4.660 -0.000 0.000 0.364 381 W C 0.167 176.698 176.519 0.020 0.000 0.917 381 W CA -1.015 56.339 57.345 0.015 0.000 1.513 381 W CB -0.480 28.989 29.460 0.014 0.000 1.494 381 W HN 0.030 nan 8.180 nan 0.000 0.346 382 M N 1.341 121.057 119.600 0.193 0.000 2.283 382 M HA 0.531 5.011 4.480 -0.000 0.000 0.314 382 M C 1.223 177.579 176.300 0.092 0.000 1.153 382 M CA -0.282 55.109 55.300 0.152 0.000 1.084 382 M CB 0.776 33.476 32.600 0.167 0.000 1.468 382 M HN 0.347 nan 8.290 nan 0.000 0.474 383 G N 0.491 109.373 108.800 0.137 0.000 2.476 383 G HA2 0.207 4.167 3.960 -0.000 0.000 0.286 383 G HA3 0.207 4.167 3.960 -0.000 0.000 0.286 383 G C 0.322 175.327 174.900 0.175 0.000 1.177 383 G CA -0.704 44.476 45.100 0.133 0.000 0.870 383 G HN 0.875 nan 8.290 nan 0.000 0.528 384 N N -0.338 118.428 118.700 0.109 0.000 2.336 384 N HA -0.016 4.724 4.740 -0.000 0.000 0.189 384 N C 1.354 176.963 175.510 0.165 0.000 1.113 384 N CA 0.032 53.117 53.050 0.058 0.000 0.858 384 N CB 0.398 38.873 38.487 -0.019 0.000 0.970 384 N HN 0.622 nan 8.380 nan 0.000 0.471 385 R N -1.353 119.319 120.500 0.286 0.000 2.144 385 R HA 0.173 4.513 4.340 -0.000 0.000 0.195 385 R C -0.367 176.242 176.300 0.516 0.000 1.077 385 R CA -0.077 56.230 56.100 0.345 0.000 1.120 385 R CB 0.357 30.835 30.300 0.296 0.000 1.060 385 R HN 0.207 nan 8.270 nan 0.000 0.520 386 W N 2.181 123.572 121.300 0.151 0.000 2.702 386 W HA 0.169 4.829 4.660 -0.000 0.000 0.331 386 W C 0.077 176.495 176.519 -0.168 0.000 1.049 386 W CA -1.135 56.156 57.345 -0.090 0.000 1.230 386 W CB 1.050 30.349 29.460 -0.268 0.000 1.408 386 W HN 0.288 nan 8.180 nan 0.000 0.492 387 W N 2.461 123.111 121.300 -1.083 0.000 2.538 387 W HA -0.060 4.600 4.660 -0.000 0.000 0.254 387 W C 0.812 177.127 176.519 -0.340 0.000 1.249 387 W CA 0.707 57.523 57.345 -0.882 0.000 1.253 387 W CB -1.703 26.940 29.460 -1.361 0.000 1.130 387 W HN 0.168 nan 8.180 nan 0.000 0.618 388 S N 1.554 116.934 115.700 -0.534 0.000 2.572 388 S HA 0.149 4.619 4.470 -0.000 0.000 0.279 388 S C 0.389 174.991 174.600 0.003 0.000 1.341 388 S CA 0.123 58.204 58.200 -0.199 0.000 1.043 388 S CB 1.429 64.524 63.200 -0.174 0.000 0.887 388 S HN 0.189 nan 8.310 nan 0.000 0.516 389 T N 2.512 117.102 114.554 0.060 0.000 2.919 389 T HA 0.278 4.628 4.350 -0.000 0.000 0.302 389 T C 0.212 174.975 174.700 0.106 0.000 1.031 389 T CA -0.711 61.460 62.100 0.118 0.000 1.127 389 T CB -0.467 68.480 68.868 0.132 0.000 0.952 389 T HN 0.494 nan 8.240 nan 0.000 0.540 390 I N 4.896 125.584 120.570 0.195 0.000 2.775 390 I HA 0.053 4.223 4.170 -0.000 0.000 0.290 390 I C 1.594 177.715 176.117 0.006 0.000 1.203 390 I CA 1.005 62.413 61.300 0.180 0.000 1.433 390 I CB 1.179 39.412 38.000 0.388 0.000 1.354 390 I HN 0.918 nan 8.210 nan 0.000 0.579 391 S N 2.430 117.941 115.700 -0.315 0.000 2.604 391 S HA 0.575 5.045 4.470 -0.000 0.000 0.235 391 S C 0.435 174.330 174.600 -1.174 0.000 1.043 391 S CA 0.224 57.908 58.200 -0.860 0.000 0.997 391 S CB 0.377 63.315 63.200 -0.437 0.000 0.956 391 S HN 0.897 nan 8.310 nan 0.000 0.535 392 G N 0.111 108.546 108.800 -0.608 0.000 2.550 392 G HA2 0.585 4.545 3.960 -0.000 0.000 0.293 392 G HA3 0.585 4.545 3.960 -0.000 0.000 0.293 392 G C -1.836 172.853 174.900 -0.352 0.000 1.402 392 G CA -0.845 44.042 45.100 -0.355 0.000 0.784 392 G HN 0.153 nan 8.290 nan 0.000 0.482 393 F N -0.448 119.595 119.950 0.156 0.000 2.631 393 F HA 0.850 5.377 4.527 -0.000 0.000 0.328 393 F C 0.478 176.250 175.800 -0.046 0.000 1.067 393 F CA -1.077 56.955 58.000 0.053 0.000 0.969 393 F CB 2.656 41.676 39.000 0.033 0.000 1.332 393 F HN 0.490 nan 8.300 nan 0.000 0.490 394 S N 0.828 116.568 115.700 0.068 0.000 2.750 394 S HA 0.552 5.022 4.470 -0.000 0.000 0.276 394 S C -1.597 172.940 174.600 -0.105 0.000 1.165 394 S CA -0.569 57.599 58.200 -0.053 0.000 1.047 394 S CB 0.678 63.771 63.200 -0.179 0.000 1.056 394 S HN 0.423 nan 8.310 nan 0.000 0.481 395 V N 4.987 124.841 119.914 -0.100 0.000 2.470 395 V HA 0.454 4.574 4.120 -0.000 0.000 0.276 395 V C 0.208 176.253 176.094 -0.081 0.000 1.040 395 V CA -0.036 62.192 62.300 -0.121 0.000 1.008 395 V CB 1.036 32.758 31.823 -0.167 0.000 0.990 395 V HN 0.836 nan 8.190 nan 0.000 0.477 396 Q N 6.994 126.751 119.800 -0.072 0.000 2.394 396 Q HA 0.471 4.811 4.340 -0.000 0.000 0.273 396 Q C -1.965 174.042 176.000 0.012 0.000 1.089 396 Q CA -1.855 53.941 55.803 -0.011 0.000 0.812 396 Q CB 2.733 31.487 28.738 0.026 0.000 1.353 396 Q HN 0.336 nan 8.270 nan 0.000 0.438 397 P HA -0.078 nan 4.420 nan 0.000 0.234 397 P C -0.600 176.726 177.300 0.044 0.000 1.167 397 P CA 0.744 63.926 63.100 0.137 0.000 0.763 397 P CB 0.596 32.399 31.700 0.171 0.000 0.835 398 R N -0.442 120.016 120.500 -0.069 0.000 2.536 398 R HA 0.447 4.787 4.340 -0.000 0.000 0.269 398 R C -2.017 174.078 176.300 -0.341 0.000 1.113 398 R CA -0.474 55.450 56.100 -0.294 0.000 0.948 398 R CB 2.068 32.233 30.300 -0.224 0.000 1.237 398 R HN -0.260 nan 8.270 nan 0.000 0.441 399 V N 4.882 124.398 119.914 -0.664 0.000 2.864 399 V HA 0.758 4.878 4.120 -0.000 0.000 0.314 399 V C -1.000 174.566 176.094 -0.880 0.000 1.073 399 V CA -0.534 61.158 62.300 -1.012 0.000 0.956 399 V CB 1.851 32.928 31.823 -1.244 0.000 1.023 399 V HN 0.699 nan 8.190 nan 0.000 0.435 400 F N 0.715 120.574 119.950 -0.151 0.000 2.719 400 F HA 0.851 5.378 4.527 -0.000 0.000 0.309 400 F C -0.906 175.091 175.800 0.329 0.000 1.138 400 F CA -0.813 57.180 58.000 -0.010 0.000 0.943 400 F CB 1.626 40.609 39.000 -0.028 0.000 1.304 400 F HN 0.602 nan 8.300 nan 0.000 0.445 401 Q N 0.310 120.401 119.800 0.486 0.000 2.959 401 Q HA 0.451 4.791 4.340 -0.000 0.000 0.288 401 Q C -1.379 174.691 176.000 0.116 0.000 0.911 401 Q CA 0.236 56.246 55.803 0.346 0.000 0.800 401 Q CB 1.702 30.645 28.738 0.341 0.000 1.645 401 Q HN 1.037 nan 8.270 nan 0.000 0.454 402 S N 1.126 116.866 115.700 0.065 0.000 3.171 402 S HA 0.227 4.696 4.470 -0.000 0.000 0.258 402 S C -0.216 174.278 174.600 -0.176 0.000 1.083 402 S CA 0.041 58.217 58.200 -0.041 0.000 0.801 402 S CB 0.033 63.248 63.200 0.024 0.000 0.831 402 S HN 0.597 nan 8.310 nan 0.000 0.462 403 N N 1.620 120.139 118.700 -0.302 0.000 2.497 403 N HA 0.150 4.890 4.740 -0.000 0.000 0.268 403 N C 0.087 175.427 175.510 -0.284 0.000 1.171 403 N CA 0.065 52.761 53.050 -0.591 0.000 0.948 403 N CB 0.211 38.158 38.487 -0.900 0.000 1.069 403 N HN 0.399 nan 8.380 nan 0.000 0.460 404 R N 1.514 121.835 120.500 -0.299 0.000 3.758 404 R HA -0.265 4.075 4.340 -0.000 0.000 0.299 404 R C -1.156 175.180 176.300 0.059 0.000 1.182 404 R CA 0.889 56.947 56.100 -0.070 0.000 0.809 404 R CB -2.117 28.134 30.300 -0.082 0.000 1.249 404 R HN 0.753 nan 8.270 nan 0.000 0.497 405 H N -0.721 118.247 119.070 -0.170 0.000 2.587 405 H HA 0.459 5.015 4.556 -0.000 0.000 0.325 405 H C -0.839 174.361 175.328 -0.213 0.000 1.012 405 H CA -0.728 55.250 56.048 -0.117 0.000 1.213 405 H CB 0.467 30.131 29.762 -0.164 0.000 1.431 405 H HN 0.028 nan 8.280 nan 0.000 0.492 406 F N 3.080 122.830 119.950 -0.333 0.000 2.483 406 F HA 0.250 4.777 4.527 -0.000 0.000 0.329 406 F C 0.356 175.991 175.800 -0.275 0.000 1.064 406 F CA -0.686 57.186 58.000 -0.213 0.000 0.986 406 F CB 1.292 40.152 39.000 -0.233 0.000 1.218 406 F HN 0.638 nan 8.300 nan 0.000 0.484 407 D N 0.035 120.479 120.400 0.073 0.000 2.506 407 D HA 0.195 4.835 4.640 -0.000 0.000 0.254 407 D C 0.489 176.771 176.300 -0.030 0.000 1.089 407 D CA -0.524 53.511 54.000 0.059 0.000 1.050 407 D CB 0.388 41.317 40.800 0.215 0.000 1.221 407 D HN 0.317 nan 8.370 nan 0.000 0.589 408 F N 0.076 119.903 119.950 -0.206 0.000 2.408 408 F HA -0.060 4.467 4.527 -0.000 0.000 0.300 408 F C 1.754 177.522 175.800 -0.054 0.000 1.090 408 F CA 0.846 58.704 58.000 -0.236 0.000 1.427 408 F CB -0.137 38.513 39.000 -0.584 0.000 1.070 408 F HN 0.240 nan 8.300 nan 0.000 0.549 409 D N -0.932 119.576 120.400 0.180 0.000 2.355 409 D HA -0.018 4.622 4.640 -0.000 0.000 0.218 409 D C 1.080 177.469 176.300 0.148 0.000 1.004 409 D CA 0.773 54.894 54.000 0.202 0.000 0.880 409 D CB 0.132 41.075 40.800 0.239 0.000 0.911 409 D HN 0.100 nan 8.370 nan 0.000 0.528 410 S N -1.024 114.758 115.700 0.137 0.000 3.171 410 S HA -0.136 4.334 4.470 -0.000 0.000 0.279 410 S C 0.600 175.334 174.600 0.224 0.000 1.294 410 S CA 0.634 58.948 58.200 0.190 0.000 1.077 410 S CB -1.564 61.717 63.200 0.136 0.000 1.298 410 S HN 0.255 nan 8.310 nan 0.000 0.666 411 T N 2.493 117.126 114.554 0.133 0.000 2.828 411 T HA 0.537 4.887 4.350 -0.000 0.000 0.290 411 T C 0.346 174.978 174.700 -0.113 0.000 1.019 411 T CA 0.147 62.275 62.100 0.047 0.000 1.031 411 T CB 1.201 70.114 68.868 0.075 0.000 1.001 411 T HN 0.268 nan 8.240 nan 0.000 0.531 412 T N 0.832 115.260 114.554 -0.210 0.000 3.105 412 T HA 0.323 4.673 4.350 -0.000 0.000 0.321 412 T C 0.894 175.479 174.700 -0.192 0.000 1.135 412 T CA -0.806 61.055 62.100 -0.398 0.000 1.053 412 T CB 1.459 69.790 68.868 -0.895 0.000 1.133 412 T HN 0.697 nan 8.240 nan 0.000 0.463 413 T N -0.440 114.036 114.554 -0.130 0.000 3.144 413 T HA 0.348 4.698 4.350 -0.000 0.000 0.249 413 T C 1.160 175.849 174.700 -0.018 0.000 1.089 413 T CA 0.008 62.090 62.100 -0.029 0.000 0.989 413 T CB 0.124 69.000 68.868 0.014 0.000 0.992 413 T HN 0.661 nan 8.240 nan 0.000 0.540 414 G N 0.961 109.660 108.800 -0.169 0.000 2.543 414 G HA2 0.469 4.429 3.960 -0.000 0.000 0.267 414 G HA3 0.469 4.429 3.960 -0.000 0.000 0.267 414 G C -0.157 174.722 174.900 -0.035 0.000 1.406 414 G CA -0.787 44.129 45.100 -0.306 0.000 1.048 414 G HN 0.685 nan 8.290 nan 0.000 0.548 415 W N -0.749 120.569 121.300 0.029 0.000 2.036 415 W HA 0.596 5.256 4.660 -0.000 0.000 0.298 415 W C -0.126 176.437 176.519 0.073 0.000 0.885 415 W CA -0.460 56.914 57.345 0.049 0.000 1.488 415 W CB -0.336 29.167 29.460 0.070 0.000 1.079 415 W HN 0.417 nan 8.180 nan 0.000 0.506 416 S N 0.508 116.110 115.700 -0.163 0.000 2.599 416 S HA 0.711 5.181 4.470 -0.000 0.000 0.294 416 S C 0.120 174.747 174.600 0.046 0.000 1.094 416 S CA -0.332 57.860 58.200 -0.013 0.000 0.931 416 S CB 1.764 64.911 63.200 -0.090 0.000 1.093 416 S HN 0.182 nan 8.310 nan 0.000 0.488 417 T N -1.371 113.257 114.554 0.125 0.000 2.824 417 T HA 0.455 4.805 4.350 -0.000 0.000 0.277 417 T C -2.386 172.401 174.700 0.147 0.000 0.975 417 T CA -1.910 60.326 62.100 0.226 0.000 0.966 417 T CB 0.409 69.407 68.868 0.217 0.000 1.054 417 T HN 0.414 nan 8.240 nan 0.000 0.533 418 P HA 0.197 nan 4.420 nan 0.000 0.258 418 P C -1.185 175.730 177.300 -0.643 0.000 1.559 418 P CA 0.019 62.920 63.100 -0.331 0.000 0.855 418 P CB -0.663 30.646 31.700 -0.651 0.000 1.594 419 Y N -1.359 118.777 120.300 -0.275 0.000 2.669 419 Y HA 0.449 4.999 4.550 -0.000 0.000 0.335 419 Y C -0.120 175.548 175.900 -0.386 0.000 1.116 419 Y CA -1.123 56.810 58.100 -0.279 0.000 1.081 419 Y CB 1.151 39.530 38.460 -0.135 0.000 1.297 419 Y HN -0.217 nan 8.280 nan 0.000 0.484 420 Y N 1.566 121.932 120.300 0.110 0.000 2.356 420 Y HA 0.586 5.135 4.550 -0.000 0.000 0.334 420 Y C -0.235 175.654 175.900 -0.020 0.000 0.958 420 Y CA -0.922 57.180 58.100 0.004 0.000 1.196 420 Y CB 1.486 39.889 38.460 -0.095 0.000 1.137 420 Y HN 0.367 nan 8.280 nan 0.000 0.485 421 V N 1.415 121.408 119.914 0.132 0.000 3.102 421 V HA 0.734 4.854 4.120 -0.000 0.000 0.312 421 V C -2.617 173.506 176.094 0.048 0.000 1.135 421 V CA -2.788 59.548 62.300 0.059 0.000 1.022 421 V CB 1.753 33.602 31.823 0.043 0.000 1.056 421 V HN 0.517 nan 8.190 nan 0.000 0.436 422 P HA 0.354 nan 4.420 nan 0.000 0.269 422 P C -0.634 176.702 177.300 0.061 0.000 1.209 422 P CA 0.055 63.166 63.100 0.018 0.000 0.776 422 P CB 0.816 32.515 31.700 -0.002 0.000 0.876 423 I N 2.479 123.097 120.570 0.080 0.000 2.307 423 I HA 0.128 4.298 4.170 -0.000 0.000 0.287 423 I C 0.887 177.074 176.117 0.115 0.000 1.054 423 I CA -0.458 60.924 61.300 0.137 0.000 1.218 423 I CB 0.417 38.536 38.000 0.199 0.000 1.398 423 I HN 0.165 nan 8.210 nan 0.000 0.475 424 E N 6.222 126.479 120.200 0.095 0.000 2.257 424 E HA 0.324 4.674 4.350 -0.000 0.000 0.278 424 E C -0.597 176.053 176.600 0.084 0.000 1.049 424 E CA -0.242 56.199 56.400 0.068 0.000 0.876 424 E CB 2.142 31.870 29.700 0.048 0.000 1.035 424 E HN 0.357 nan 8.360 nan 0.000 0.419 425 I N 2.308 122.925 120.570 0.077 0.000 3.108 425 I HA 0.317 4.487 4.170 -0.000 0.000 0.312 425 I C -0.899 175.246 176.117 0.047 0.000 1.095 425 I CA -0.955 60.393 61.300 0.079 0.000 1.000 425 I CB 1.976 40.059 38.000 0.139 0.000 1.229 425 I HN 0.266 nan 8.210 nan 0.000 0.454 426 K N 4.558 124.985 120.400 0.045 0.000 2.637 426 K HA 0.612 4.932 4.320 -0.000 0.000 0.248 426 K C -1.602 175.042 176.600 0.072 0.000 0.971 426 K CA -0.336 55.978 56.287 0.046 0.000 0.858 426 K CB 1.001 33.523 32.500 0.037 0.000 1.170 426 K HN 0.485 nan 8.250 nan 0.000 0.443 427 I N 1.772 122.391 120.570 0.082 0.000 2.924 427 I HA 0.401 4.571 4.170 -0.000 0.000 0.316 427 I C -0.403 175.816 176.117 0.170 0.000 1.014 427 I CA -0.962 60.424 61.300 0.142 0.000 1.106 427 I CB 1.884 39.943 38.000 0.098 0.000 1.311 427 I HN 0.546 nan 8.210 nan 0.000 0.502 428 Q N 1.427 121.392 119.800 0.276 0.000 2.268 428 Q HA 0.538 4.878 4.340 -0.000 0.000 0.266 428 Q C -1.292 174.949 176.000 0.401 0.000 1.006 428 Q CA -0.545 55.417 55.803 0.264 0.000 0.824 428 Q CB 2.208 31.066 28.738 0.200 0.000 1.306 428 Q HN 0.887 nan 8.270 nan 0.000 0.424 429 G N 2.643 111.656 108.800 0.354 0.000 2.417 429 G HA2 0.570 4.530 3.960 -0.000 0.000 0.334 429 G HA3 0.570 4.530 3.960 -0.000 0.000 0.334 429 G C -1.449 173.570 174.900 0.198 0.000 1.150 429 G CA -0.432 44.913 45.100 0.408 0.000 0.923 429 G HN 0.513 nan 8.290 nan 0.000 0.485 430 K N 0.639 121.111 120.400 0.120 0.000 2.426 430 K HA 0.531 4.851 4.320 -0.000 0.000 0.251 430 K C -0.245 176.374 176.600 0.033 0.000 0.941 430 K CA -0.714 55.610 56.287 0.062 0.000 0.808 430 K CB 2.408 34.930 32.500 0.036 0.000 1.265 430 K HN 0.307 nan 8.250 nan 0.000 0.432 431 V N 2.178 122.107 119.914 0.026 0.000 2.694 431 V HA 0.167 4.287 4.120 -0.000 0.000 0.306 431 V C 0.760 176.852 176.094 -0.003 0.000 1.054 431 V CA 0.933 63.241 62.300 0.014 0.000 1.161 431 V CB 0.446 32.276 31.823 0.012 0.000 0.916 431 V HN 1.006 nan 8.190 nan 0.000 0.490 432 G N 3.501 112.297 108.800 -0.007 0.000 2.540 432 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.260 432 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.260 432 G C -0.063 174.817 174.900 -0.033 0.000 0.993 432 G CA 0.251 45.340 45.100 -0.018 0.000 1.327 432 G HN 1.231 nan 8.290 nan 0.000 0.485 433 S N 1.264 116.943 115.700 -0.036 0.000 2.461 433 S HA 0.390 4.859 4.470 -0.000 0.000 0.216 433 S C 1.238 175.815 174.600 -0.038 0.000 1.201 433 S CA -0.082 58.083 58.200 -0.058 0.000 1.171 433 S CB 0.027 63.163 63.200 -0.105 0.000 1.169 433 S HN 0.823 nan 8.310 nan 0.000 0.456 434 N N 3.187 121.874 118.700 -0.022 0.000 2.609 434 N HA -0.088 4.652 4.740 -0.000 0.000 0.190 434 N C 0.239 175.767 175.510 0.031 0.000 1.157 434 N CA 0.293 53.343 53.050 -0.000 0.000 0.918 434 N CB -0.553 37.934 38.487 -0.001 0.000 0.978 434 N HN 0.722 nan 8.380 nan 0.000 0.448 435 N N 0.048 118.771 118.700 0.039 0.000 2.491 435 N HA 0.249 4.989 4.740 -0.000 0.000 0.279 435 N C 0.211 175.784 175.510 0.105 0.000 1.236 435 N CA -0.630 52.506 53.050 0.143 0.000 0.982 435 N CB 0.749 39.367 38.487 0.219 0.000 1.194 435 N HN -0.274 nan 8.380 nan 0.000 0.582 436 K N -1.676 118.878 120.400 0.257 0.000 2.517 436 K HA 0.160 4.480 4.320 -0.000 0.000 0.210 436 K C -1.011 175.707 176.600 0.197 0.000 1.166 436 K CA -0.134 56.200 56.287 0.078 0.000 1.030 436 K CB 0.175 32.556 32.500 -0.198 0.000 0.974 436 K HN 0.527 nan 8.250 nan 0.000 0.585 437 W N 0.852 122.268 121.300 0.192 0.000 2.315 437 W HA 0.415 5.075 4.660 -0.000 0.000 0.316 437 W C 0.230 176.719 176.519 -0.049 0.000 1.211 437 W CA -0.413 57.011 57.345 0.131 0.000 1.201 437 W CB 0.271 29.527 29.460 -0.339 0.000 1.184 437 W HN -0.217 nan 8.180 nan 0.000 0.544 438 F N 0.312 120.415 119.950 0.255 0.000 2.618 438 F HA 0.441 4.968 4.527 -0.000 0.000 0.332 438 F C 0.219 176.175 175.800 0.260 0.000 1.061 438 F CA -1.409 56.770 58.000 0.298 0.000 0.974 438 F CB 1.261 40.459 39.000 0.330 0.000 1.310 438 F HN 0.203 nan 8.300 nan 0.000 0.491 439 H N -0.758 118.621 119.070 0.515 0.000 2.533 439 H HA 0.642 5.198 4.556 -0.000 0.000 0.343 439 H C -1.171 174.303 175.328 0.244 0.000 1.160 439 H CA -0.975 55.280 56.048 0.345 0.000 1.218 439 H CB 1.911 31.855 29.762 0.305 0.000 1.566 439 H HN 0.212 nan 8.280 nan 0.000 0.522 440 V N 5.295 125.367 119.914 0.264 0.000 2.333 440 V HA 0.028 4.148 4.120 -0.000 0.000 0.274 440 V C 1.248 177.361 176.094 0.032 0.000 1.028 440 V CA -0.060 62.301 62.300 0.101 0.000 0.851 440 V CB 0.551 32.338 31.823 -0.060 0.000 1.000 440 V HN 0.675 nan 8.190 nan 0.000 0.456 441 I N 0.194 120.796 120.570 0.054 0.000 3.030 441 I HA 0.398 4.568 4.170 -0.000 0.000 0.270 441 I C 0.535 176.647 176.117 -0.008 0.000 1.211 441 I CA 0.758 62.070 61.300 0.019 0.000 1.479 441 I CB 0.303 38.332 38.000 0.049 0.000 1.105 441 I HN 0.578 nan 8.210 nan 0.000 0.447 442 D N -0.377 120.019 120.400 -0.007 0.000 2.671 442 D HA 0.446 5.086 4.640 -0.000 0.000 0.273 442 D C -1.186 175.107 176.300 -0.012 0.000 1.264 442 D CA -0.161 53.830 54.000 -0.014 0.000 0.788 442 D CB 2.326 43.127 40.800 0.002 0.000 1.324 442 D HN 0.017 nan 8.370 nan 0.000 0.424 443 T N 0.293 114.842 114.554 -0.008 0.000 3.012 443 T HA 0.331 4.681 4.350 -0.000 0.000 0.330 443 T C -0.424 174.287 174.700 0.018 0.000 1.321 443 T CA -0.567 61.539 62.100 0.009 0.000 1.067 443 T CB 1.303 70.172 68.868 0.001 0.000 1.235 443 T HN 0.260 nan 8.240 nan 0.000 0.479 444 D N 1.896 122.313 120.400 0.028 0.000 1.989 444 D HA 0.079 4.719 4.640 -0.000 0.000 0.259 444 D C 0.350 176.669 176.300 0.031 0.000 0.992 444 D CA 0.667 54.682 54.000 0.026 0.000 0.912 444 D CB 0.164 40.979 40.800 0.024 0.000 1.083 444 D HN 0.398 nan 8.370 nan 0.000 0.441 445 K N 1.176 121.599 120.400 0.037 0.000 2.436 445 K HA 0.394 4.714 4.320 -0.000 0.000 0.282 445 K C -0.341 176.297 176.600 0.064 0.000 1.044 445 K CA 0.157 56.469 56.287 0.043 0.000 1.028 445 K CB 0.679 33.203 32.500 0.039 0.000 0.919 445 K HN 0.251 nan 8.250 nan 0.000 0.474 446 A N 3.208 126.066 122.820 0.063 0.000 2.566 446 A HA 0.340 4.659 4.320 -0.000 0.000 0.297 446 A C 0.038 177.673 177.584 0.085 0.000 1.059 446 A CA -0.701 51.387 52.037 0.085 0.000 0.691 446 A CB 0.967 20.006 19.000 0.065 0.000 1.282 446 A HN 0.512 nan 8.150 nan 0.000 0.401 447 L N 2.651 123.945 121.223 0.117 0.000 2.062 447 L HA 0.262 4.602 4.340 -0.000 0.000 0.202 447 L C 0.576 177.508 176.870 0.103 0.000 1.079 447 L CA 1.741 56.647 54.840 0.111 0.000 0.755 447 L CB -0.097 42.044 42.059 0.135 0.000 0.913 447 L HN 0.510 nan 8.230 nan 0.000 0.445 448 V N 3.108 123.103 119.914 0.135 0.000 2.432 448 V HA 0.248 4.368 4.120 -0.000 0.000 0.271 448 V C -2.073 174.062 176.094 0.069 0.000 1.046 448 V CA -1.589 60.778 62.300 0.111 0.000 0.945 448 V CB 0.365 32.282 31.823 0.156 0.000 0.992 448 V HN 0.309 nan 8.190 nan 0.000 0.471 449 P HA 0.037 nan 4.420 nan 0.000 0.258 449 P C 0.934 178.233 177.300 -0.002 0.000 1.172 449 P CA 1.532 64.645 63.100 0.021 0.000 0.762 449 P CB 0.547 32.258 31.700 0.017 0.000 0.764 450 G N 3.501 112.291 108.800 -0.016 0.000 2.317 450 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.227 450 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.227 450 G C 0.038 174.878 174.900 -0.101 0.000 1.042 450 G CA -0.142 44.925 45.100 -0.054 0.000 0.623 450 G HN 0.521 nan 8.290 nan 0.000 0.509 451 I N 4.222 124.739 120.570 -0.088 0.000 2.331 451 I HA 0.369 4.539 4.170 -0.000 0.000 0.292 451 I C -1.776 174.320 176.117 -0.034 0.000 0.998 451 I CA -2.428 58.773 61.300 -0.166 0.000 1.267 451 I CB 1.734 39.601 38.000 -0.222 0.000 1.386 451 I HN -0.045 nan 8.210 nan 0.000 0.476 452 P HA -0.038 nan 4.420 nan 0.000 0.267 452 P C -0.717 176.767 177.300 0.306 0.000 1.205 452 P CA -0.143 63.034 63.100 0.128 0.000 0.765 452 P CB 0.687 32.483 31.700 0.161 0.000 0.828 453 D N 2.817 123.377 120.400 0.266 0.000 2.389 453 D HA 0.199 4.839 4.640 -0.000 0.000 0.263 453 D C 1.459 177.948 176.300 0.314 0.000 1.255 453 D CA 1.454 55.630 54.000 0.294 0.000 0.914 453 D CB -0.765 40.144 40.800 0.182 0.000 1.116 453 D HN 0.694 nan 8.370 nan 0.000 0.502 454 G N 4.116 113.155 108.800 0.398 0.000 2.184 454 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.206 454 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.206 454 G C 0.212 175.371 174.900 0.431 0.000 0.995 454 G CA -0.233 45.064 45.100 0.329 0.000 0.651 454 G HN 0.545 nan 8.290 nan 0.000 0.511 455 W N 3.701 125.248 121.300 0.411 0.000 2.397 455 W HA 0.340 4.999 4.660 -0.000 0.000 0.327 455 W C -1.416 175.348 176.519 0.409 0.000 1.421 455 W CA -0.602 56.934 57.345 0.319 0.000 1.288 455 W CB 0.378 29.924 29.460 0.143 0.000 1.312 455 W HN 0.188 nan 8.180 nan 0.000 0.559 456 P HA -0.239 nan 4.420 nan 0.000 0.266 456 P C 0.013 177.410 177.300 0.161 0.000 1.162 456 P CA 0.922 63.824 63.100 -0.331 0.000 0.758 456 P CB 0.767 31.845 31.700 -1.036 0.000 0.774 457 D N 0.416 120.935 120.400 0.197 0.000 2.339 457 D HA 0.035 4.675 4.640 -0.000 0.000 0.217 457 D C 0.089 176.611 176.300 0.371 0.000 1.050 457 D CA 0.668 54.917 54.000 0.414 0.000 0.856 457 D CB 0.257 41.222 40.800 0.275 0.000 0.922 457 D HN 0.257 nan 8.370 nan 0.000 0.518 458 T N -1.145 113.621 114.554 0.353 0.000 2.940 458 T HA 0.491 4.841 4.350 -0.000 0.000 0.288 458 T C -0.181 174.770 174.700 0.418 0.000 1.033 458 T CA -0.569 61.780 62.100 0.416 0.000 1.033 458 T CB 2.129 71.310 68.868 0.522 0.000 1.079 458 T HN -0.156 nan 8.240 nan 0.000 0.496 459 T N 0.556 115.315 114.554 0.342 0.000 2.858 459 T HA 0.684 5.034 4.350 -0.000 0.000 0.285 459 T C -0.320 174.528 174.700 0.246 0.000 1.052 459 T CA -1.059 61.217 62.100 0.294 0.000 1.009 459 T CB 0.443 69.456 68.868 0.240 0.000 1.241 459 T HN 0.570 nan 8.240 nan 0.000 0.542 460 I N 1.631 122.321 120.570 0.200 0.000 2.754 460 I HA 0.326 4.496 4.170 -0.000 0.000 0.285 460 I C -1.411 174.766 176.117 0.100 0.000 1.166 460 I CA -1.726 59.660 61.300 0.143 0.000 1.417 460 I CB 0.375 38.450 38.000 0.124 0.000 1.382 460 I HN 0.482 nan 8.210 nan 0.000 0.588 461 P HA -0.073 nan 4.420 nan 0.000 0.210 461 P C -0.081 177.236 177.300 0.028 0.000 1.191 461 P CA 1.383 64.515 63.100 0.052 0.000 0.917 461 P CB 0.152 31.875 31.700 0.039 0.000 0.778 462 D N -1.241 119.165 120.400 0.009 0.000 2.585 462 D HA 0.269 4.909 4.640 -0.000 0.000 0.254 462 D C -0.030 176.251 176.300 -0.032 0.000 1.067 462 D CA -0.663 53.331 54.000 -0.010 0.000 1.090 462 D CB 1.214 42.008 40.800 -0.010 0.000 1.408 462 D HN 0.041 nan 8.370 nan 0.000 0.554 463 E N -0.141 120.032 120.200 -0.046 0.000 2.374 463 E HA 0.449 4.799 4.350 -0.000 0.000 0.260 463 E C -0.305 176.242 176.600 -0.088 0.000 1.101 463 E CA 0.066 56.420 56.400 -0.078 0.000 0.907 463 E CB 1.106 30.764 29.700 -0.070 0.000 1.014 463 E HN 0.201 nan 8.360 nan 0.000 0.427 464 T N 0.537 115.005 114.554 -0.143 0.000 3.003 464 T HA 0.140 4.490 4.350 -0.000 0.000 0.354 464 T C -1.659 172.893 174.700 -0.246 0.000 1.651 464 T CA -0.920 61.086 62.100 -0.156 0.000 1.103 464 T CB 0.721 69.528 68.868 -0.102 0.000 1.450 464 T HN 0.328 nan 8.240 nan 0.000 0.484 465 K N 2.147 122.404 120.400 -0.237 0.000 2.448 465 K HA 0.480 4.800 4.320 -0.000 0.000 0.278 465 K C 0.594 177.024 176.600 -0.283 0.000 1.009 465 K CA 0.013 56.162 56.287 -0.230 0.000 0.995 465 K CB 0.477 32.871 32.500 -0.177 0.000 0.917 465 K HN 0.603 nan 8.250 nan 0.000 0.481 466 A N 3.422 126.103 122.820 -0.231 0.000 3.046 466 A HA 0.052 4.372 4.320 -0.000 0.000 0.259 466 A C -0.265 177.410 177.584 0.151 0.000 1.843 466 A CA -0.087 51.850 52.037 -0.166 0.000 1.451 466 A CB -0.728 18.225 19.000 -0.077 0.000 1.025 466 A HN 0.594 nan 8.150 nan 0.000 0.625 467 T N 1.389 116.002 114.554 0.097 0.000 2.859 467 T HA 0.200 4.550 4.350 -0.000 0.000 0.281 467 T C 0.435 175.305 174.700 0.283 0.000 1.005 467 T CA -0.682 61.490 62.100 0.121 0.000 1.025 467 T CB 0.869 69.723 68.868 -0.023 0.000 0.977 467 T HN 0.604 nan 8.240 nan 0.000 0.458 468 N N 1.215 120.065 118.700 0.251 0.000 2.395 468 N HA 0.321 5.061 4.740 -0.000 0.000 0.246 468 N C 0.103 175.784 175.510 0.285 0.000 1.246 468 N CA 0.619 53.823 53.050 0.256 0.000 0.879 468 N CB 0.655 39.206 38.487 0.106 0.000 1.098 468 N HN 0.943 nan 8.380 nan 0.000 0.444 469 G N 1.538 110.530 108.800 0.319 0.000 2.495 469 G HA2 0.301 4.261 3.960 -0.000 0.000 0.294 469 G HA3 0.301 4.261 3.960 -0.000 0.000 0.294 469 G C -1.550 173.509 174.900 0.266 0.000 1.397 469 G CA -0.727 44.539 45.100 0.276 0.000 0.790 469 G HN 0.667 nan 8.290 nan 0.000 0.486 470 N N -1.357 117.457 118.700 0.190 0.000 2.761 470 N HA 0.618 5.358 4.740 -0.000 0.000 0.283 470 N C -0.881 174.705 175.510 0.126 0.000 1.377 470 N CA -0.934 52.263 53.050 0.245 0.000 0.791 470 N CB 1.707 40.301 38.487 0.178 0.000 1.540 470 N HN 0.286 nan 8.380 nan 0.000 0.539 471 F N 1.288 121.286 119.950 0.081 0.000 2.586 471 F HA 0.141 4.668 4.527 -0.000 0.000 0.344 471 F C 1.021 176.584 175.800 -0.394 0.000 1.188 471 F CA 0.354 58.255 58.000 -0.166 0.000 1.359 471 F CB 0.354 39.349 39.000 -0.008 0.000 1.129 471 F HN 0.345 nan 8.300 nan 0.000 0.609 472 S N 0.912 116.402 115.700 -0.351 0.000 2.388 472 S HA 0.452 4.922 4.470 -0.000 0.000 0.279 472 S C -1.760 172.536 174.600 -0.508 0.000 0.987 472 S CA -0.994 56.962 58.200 -0.408 0.000 0.993 472 S CB -0.594 62.400 63.200 -0.343 0.000 1.207 472 S HN 0.429 nan 8.310 nan 0.000 0.425 473 Y N 1.697 121.785 120.300 -0.354 0.000 2.391 473 Y HA 0.760 5.310 4.550 -0.000 0.000 0.341 473 Y C 1.153 176.976 175.900 -0.128 0.000 0.965 473 Y CA -0.164 57.742 58.100 -0.323 0.000 1.067 473 Y CB 1.806 39.974 38.460 -0.487 0.000 1.199 473 Y HN 0.959 nan 8.280 nan 0.000 0.450 474 G N 1.026 109.897 108.800 0.118 0.000 2.712 474 G HA2 0.014 3.974 3.960 -0.000 0.000 0.258 474 G HA3 0.014 3.974 3.960 -0.000 0.000 0.258 474 G C 0.428 175.476 174.900 0.246 0.000 1.241 474 G CA -0.434 44.764 45.100 0.163 0.000 0.923 474 G HN 0.814 nan 8.290 nan 0.000 0.548 475 E N -0.614 119.687 120.200 0.168 0.000 2.512 475 E HA -0.040 4.310 4.350 -0.000 0.000 0.195 475 E C 1.785 178.486 176.600 0.168 0.000 1.083 475 E CA 0.167 56.656 56.400 0.148 0.000 0.873 475 E CB 0.192 29.942 29.700 0.084 0.000 0.897 475 E HN 0.302 nan 8.360 nan 0.000 0.514 476 S N -0.580 115.264 115.700 0.239 0.000 2.593 476 S HA -0.014 4.456 4.470 -0.000 0.000 0.217 476 S C 0.641 175.264 174.600 0.038 0.000 0.966 476 S CA 0.103 58.375 58.200 0.119 0.000 0.914 476 S CB 0.083 63.332 63.200 0.081 0.000 0.776 476 S HN 0.281 nan 8.310 nan 0.000 0.523 477 Y N 1.023 121.416 120.300 0.154 0.000 2.500 477 Y HA 0.450 5.000 4.550 -0.000 0.000 0.246 477 Y C 0.407 176.417 175.900 0.183 0.000 1.146 477 Y CA -0.660 57.578 58.100 0.229 0.000 1.230 477 Y CB 0.332 39.044 38.460 0.422 0.000 1.214 477 Y HN -0.032 nan 8.280 nan 0.000 0.526 478 R N 1.730 122.354 120.500 0.207 0.000 2.421 478 R HA 0.288 4.628 4.340 -0.000 0.000 0.305 478 R C 0.359 176.708 176.300 0.081 0.000 1.039 478 R CA -0.247 55.919 56.100 0.110 0.000 1.003 478 R CB -0.126 30.214 30.300 0.067 0.000 0.959 478 R HN 0.195 nan 8.270 nan 0.000 0.427 479 A N 1.946 124.810 122.820 0.074 0.000 2.573 479 A HA 0.314 4.634 4.320 -0.000 0.000 0.250 479 A C 1.369 178.965 177.584 0.019 0.000 1.049 479 A CA 1.140 53.201 52.037 0.041 0.000 0.767 479 A CB -0.367 18.650 19.000 0.029 0.000 0.965 479 A HN 0.923 nan 8.150 nan 0.000 0.514 480 G N 0.884 109.689 108.800 0.008 0.000 2.705 480 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.193 480 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.193 480 G C 0.505 175.402 174.900 -0.004 0.000 1.015 480 G CA 0.329 45.430 45.100 0.001 0.000 0.743 480 G HN 1.600 nan 8.290 nan 0.000 0.476 481 S N 1.239 116.936 115.700 -0.005 0.000 2.452 481 S HA 0.530 5.000 4.470 -0.000 0.000 0.284 481 S C 1.235 175.816 174.600 -0.032 0.000 1.171 481 S CA 0.700 58.891 58.200 -0.015 0.000 1.064 481 S CB 0.976 64.168 63.200 -0.013 0.000 0.967 481 S HN 0.356 nan 8.310 nan 0.000 0.484 482 T N 4.233 118.769 114.554 -0.030 0.000 3.361 482 T HA 0.145 4.495 4.350 -0.000 0.000 0.251 482 T C 0.003 174.675 174.700 -0.046 0.000 1.131 482 T CA 0.259 62.337 62.100 -0.036 0.000 1.001 482 T CB -0.336 68.515 68.868 -0.027 0.000 1.003 482 T HN 0.580 nan 8.240 nan 0.000 0.558 483 T N 1.787 116.307 114.554 -0.057 0.000 2.933 483 T HA 0.645 4.995 4.350 -0.000 0.000 0.305 483 T C -0.804 173.828 174.700 -0.113 0.000 1.092 483 T CA -0.596 61.464 62.100 -0.068 0.000 1.008 483 T CB 1.855 70.695 68.868 -0.045 0.000 1.102 483 T HN 0.107 nan 8.240 nan 0.000 0.469 484 I N 2.650 123.133 120.570 -0.146 0.000 2.497 484 I HA 0.315 4.485 4.170 -0.000 0.000 0.284 484 I C -0.373 175.640 176.117 -0.174 0.000 1.060 484 I CA -0.877 60.264 61.300 -0.266 0.000 1.071 484 I CB 1.874 39.629 38.000 -0.409 0.000 1.216 484 I HN 0.339 nan 8.210 nan 0.000 0.442 485 K N 7.587 127.921 120.400 -0.110 0.000 2.284 485 K HA 0.242 4.562 4.320 -0.000 0.000 0.287 485 K C -1.660 174.977 176.600 0.062 0.000 1.081 485 K CA -1.412 54.868 56.287 -0.011 0.000 0.910 485 K CB 0.852 33.365 32.500 0.021 0.000 1.088 485 K HN 0.332 nan 8.250 nan 0.000 0.478 486 P HA -0.140 nan 4.420 nan 0.000 0.242 486 P C -0.261 177.104 177.300 0.107 0.000 1.198 486 P CA 0.866 64.041 63.100 0.126 0.000 0.756 486 P CB 0.316 32.059 31.700 0.072 0.000 0.911 487 N N 0.295 119.049 118.700 0.091 0.000 2.402 487 N HA -0.032 4.708 4.740 -0.000 0.000 0.174 487 N C 1.531 177.073 175.510 0.053 0.000 1.027 487 N CA 0.629 53.710 53.050 0.052 0.000 0.891 487 N CB -0.113 38.395 38.487 0.036 0.000 1.016 487 N HN 0.308 nan 8.380 nan 0.000 0.439 488 E N 1.130 121.409 120.200 0.131 0.000 2.204 488 E HA -0.113 4.236 4.350 -0.000 0.000 0.195 488 E C 0.498 177.097 176.600 -0.002 0.000 0.990 488 E CA 0.211 56.688 56.400 0.129 0.000 0.821 488 E CB -0.467 29.416 29.700 0.305 0.000 0.750 488 E HN 0.389 nan 8.360 nan 0.000 0.477 489 N N 1.623 120.320 118.700 -0.005 0.000 2.454 489 N HA -0.002 4.738 4.740 -0.000 0.000 0.285 489 N C 0.101 175.387 175.510 -0.374 0.000 1.233 489 N CA -0.248 52.596 53.050 -0.343 0.000 1.036 489 N CB 0.285 38.668 38.487 -0.174 0.000 1.423 489 N HN -0.132 nan 8.380 nan 0.000 0.495 490 S N 0.999 116.427 115.700 -0.453 0.000 2.558 490 S HA -0.026 4.444 4.470 -0.000 0.000 0.217 490 S C 0.407 174.629 174.600 -0.630 0.000 0.975 490 S CA -0.002 57.944 58.200 -0.423 0.000 0.912 490 S CB 0.263 63.259 63.200 -0.339 0.000 0.776 490 S HN 0.529 nan 8.310 nan 0.000 0.526 491 T N 2.883 116.984 114.554 -0.756 0.000 2.866 491 T HA -0.023 4.327 4.350 -0.000 0.000 0.293 491 T C 0.911 175.203 174.700 -0.680 0.000 1.005 491 T CA 0.294 61.874 62.100 -0.867 0.000 1.162 491 T CB 0.236 68.473 68.868 -1.052 0.000 0.968 491 T HN 0.325 nan 8.240 nan 0.000 0.530 492 H N 2.330 121.131 119.070 -0.448 0.000 2.415 492 H HA 0.048 4.604 4.556 -0.000 0.000 0.297 492 H C 1.283 176.529 175.328 -0.137 0.000 1.048 492 H CA 0.583 56.517 56.048 -0.189 0.000 1.365 492 H CB -0.135 29.637 29.762 0.017 0.000 1.421 492 H HN 0.769 nan 8.280 nan 0.000 0.533 493 F N 1.401 121.248 119.950 -0.172 0.000 2.833 493 F HA 0.376 4.903 4.527 -0.000 0.000 0.327 493 F C 0.315 176.019 175.800 -0.160 0.000 1.184 493 F CA -0.945 56.906 58.000 -0.250 0.000 1.328 493 F CB -0.521 38.081 39.000 -0.664 0.000 1.440 493 F HN -0.312 nan 8.300 nan 0.000 0.569 494 K N 0.433 120.699 120.400 -0.223 0.000 2.230 494 K HA 0.348 4.668 4.320 -0.000 0.000 0.253 494 K C 1.222 177.738 176.600 -0.139 0.000 1.008 494 K CA 0.194 56.341 56.287 -0.233 0.000 0.910 494 K CB 0.288 32.688 32.500 -0.167 0.000 0.994 494 K HN 0.628 nan 8.250 nan 0.000 0.495 495 G N 1.537 110.167 108.800 -0.284 0.000 2.390 495 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.299 495 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.299 495 G C -0.217 174.592 174.900 -0.152 0.000 1.002 495 G CA 0.631 45.584 45.100 -0.244 0.000 0.979 495 G HN 0.487 nan 8.290 nan 0.000 0.513 496 T N -0.624 113.727 114.554 -0.339 0.000 2.918 496 T HA 0.571 4.921 4.350 -0.000 0.000 0.286 496 T C -0.602 173.984 174.700 -0.190 0.000 1.026 496 T CA -0.397 61.687 62.100 -0.026 0.000 1.031 496 T CB 1.360 70.342 68.868 0.189 0.000 1.046 496 T HN 0.150 nan 8.240 nan 0.000 0.479 497 Y N 1.961 122.293 120.300 0.053 0.000 2.335 497 Y HA 0.372 4.922 4.550 -0.000 0.000 0.339 497 Y C 0.493 176.340 175.900 -0.087 0.000 0.987 497 Y CA -1.389 56.747 58.100 0.059 0.000 1.140 497 Y CB 0.437 38.954 38.460 0.095 0.000 1.173 497 Y HN 0.360 nan 8.280 nan 0.000 0.486 498 I N 3.677 124.212 120.570 -0.059 0.000 2.533 498 I HA 0.035 4.205 4.170 -0.000 0.000 0.284 498 I C -0.153 175.936 176.117 -0.047 0.000 1.109 498 I CA -0.381 60.747 61.300 -0.287 0.000 1.412 498 I CB -0.505 37.384 38.000 -0.185 0.000 1.396 498 I HN 0.574 nan 8.210 nan 0.000 0.543 499 C N 5.309 124.535 119.300 -0.122 0.000 2.442 499 C HA 0.560 5.020 4.460 -0.000 0.000 0.335 499 C C 0.917 175.885 174.990 -0.037 0.000 1.134 499 C CA -1.044 57.963 59.018 -0.017 0.000 1.344 499 C CB 0.696 28.423 27.740 -0.021 0.000 1.956 499 C HN 1.003 nan 8.230 nan 0.000 0.438 500 G N 3.130 111.928 108.800 -0.004 0.000 2.559 500 G HA2 0.494 4.454 3.960 -0.000 0.000 0.235 500 G HA3 0.494 4.454 3.960 -0.000 0.000 0.235 500 G C -0.179 174.706 174.900 -0.024 0.000 1.266 500 G CA 0.512 45.608 45.100 -0.006 0.000 0.847 500 G HN 0.748 nan 8.290 nan 0.000 0.583 501 T N 0.141 114.681 114.554 -0.024 0.000 2.864 501 T HA 0.560 4.910 4.350 -0.000 0.000 0.299 501 T C -0.707 173.979 174.700 -0.024 0.000 1.166 501 T CA -0.582 61.494 62.100 -0.040 0.000 1.007 501 T CB 1.920 70.737 68.868 -0.086 0.000 1.219 501 T HN 0.538 nan 8.240 nan 0.000 0.506 502 L N 2.649 123.857 121.223 -0.026 0.000 2.529 502 L HA 0.501 4.841 4.340 -0.000 0.000 0.258 502 L C -0.329 176.533 176.870 -0.014 0.000 1.032 502 L CA -0.378 54.454 54.840 -0.013 0.000 0.899 502 L CB 0.683 42.735 42.059 -0.010 0.000 1.174 502 L HN 0.871 nan 8.230 nan 0.000 0.458 503 S N 1.480 117.174 115.700 -0.010 0.000 2.617 503 S HA 0.875 5.345 4.470 -0.000 0.000 0.283 503 S C -0.007 174.599 174.600 0.010 0.000 1.189 503 S CA -0.150 58.048 58.200 -0.004 0.000 1.036 503 S CB 1.858 65.061 63.200 0.005 0.000 1.014 503 S HN 0.623 nan 8.310 nan 0.000 0.522 504 T N -1.723 112.839 114.554 0.012 0.000 2.900 504 T HA 0.671 5.021 4.350 -0.000 0.000 0.303 504 T C -0.980 173.733 174.700 0.021 0.000 1.142 504 T CA -0.756 61.354 62.100 0.015 0.000 1.007 504 T CB 1.059 69.935 68.868 0.012 0.000 1.156 504 T HN 0.609 nan 8.240 nan 0.000 0.490 505 V N 1.542 121.469 119.914 0.021 0.000 2.628 505 V HA 0.526 4.646 4.120 -0.000 0.000 0.306 505 V C 0.101 176.208 176.094 0.023 0.000 1.045 505 V CA -0.881 61.434 62.300 0.025 0.000 0.905 505 V CB 1.672 33.510 31.823 0.025 0.000 0.997 505 V HN 1.066 nan 8.190 nan 0.000 0.436 506 E N 3.606 123.822 120.200 0.026 0.000 1.963 506 E HA 0.320 4.670 4.350 -0.000 0.000 0.274 506 E C -0.852 175.761 176.600 0.023 0.000 1.061 506 E CA -0.686 55.728 56.400 0.024 0.000 0.847 506 E CB 0.434 30.149 29.700 0.026 0.000 1.083 506 E HN 0.546 nan 8.360 nan 0.000 0.402 507 I N 7.808 128.390 120.570 0.019 0.000 2.578 507 I HA 0.037 4.207 4.170 -0.000 0.000 0.286 507 I C -1.519 174.608 176.117 0.017 0.000 1.126 507 I CA -1.163 60.148 61.300 0.018 0.000 1.380 507 I CB -0.204 37.805 38.000 0.014 0.000 1.408 507 I HN 0.443 nan 8.210 nan 0.000 0.532 508 P HA 0.040 nan 4.420 nan 0.000 0.271 508 P C -0.134 177.175 177.300 0.014 0.000 1.238 508 P CA -0.343 62.767 63.100 0.017 0.000 0.794 508 P CB 0.512 32.223 31.700 0.019 0.000 0.959 509 E N 0.162 120.369 120.200 0.013 0.000 2.492 509 E HA -0.049 4.301 4.350 -0.000 0.000 0.266 509 E C 0.515 177.121 176.600 0.010 0.000 1.187 509 E CA 0.469 56.876 56.400 0.011 0.000 1.036 509 E CB -0.373 29.333 29.700 0.010 0.000 0.994 509 E HN 0.293 nan 8.360 nan 0.000 0.468 510 N N 2.537 121.242 118.700 0.008 0.000 2.394 510 N HA -0.048 4.692 4.740 -0.000 0.000 0.288 510 N C -0.691 174.824 175.510 0.008 0.000 1.272 510 N CA 0.433 53.488 53.050 0.008 0.000 1.004 510 N CB 0.057 38.548 38.487 0.007 0.000 1.393 510 N HN 0.434 nan 8.380 nan 0.000 0.488 511 D N 0.034 120.439 120.400 0.008 0.000 2.464 511 D HA -0.008 4.632 4.640 -0.000 0.000 0.272 511 D C -0.672 175.633 176.300 0.008 0.000 1.224 511 D CA 0.048 54.053 54.000 0.008 0.000 1.118 511 D CB 0.080 40.886 40.800 0.009 0.000 1.710 511 D HN 0.316 nan 8.370 nan 0.000 0.479 512 E N 0.385 120.591 120.200 0.009 0.000 2.646 512 E HA 0.262 4.612 4.350 -0.000 0.000 0.336 512 E C -1.221 175.386 176.600 0.010 0.000 1.027 512 E CA -0.390 56.016 56.400 0.009 0.000 0.765 512 E CB 0.641 30.347 29.700 0.009 0.000 1.545 512 E HN 0.096 nan 8.360 nan 0.000 0.382 513 Q N 2.303 122.108 119.800 0.009 0.000 2.639 513 Q HA -0.016 4.324 4.340 -0.000 0.000 0.301 513 Q C 0.675 176.680 176.000 0.010 0.000 1.029 513 Q CA 0.010 55.819 55.803 0.010 0.000 0.936 513 Q CB 0.016 28.759 28.738 0.009 0.000 1.354 513 Q HN 0.690 nan 8.270 nan 0.000 0.417 514 Q N -0.673 119.133 119.800 0.010 0.000 2.451 514 Q HA -0.031 4.308 4.340 -0.000 0.000 0.206 514 Q C 1.185 177.192 176.000 0.011 0.000 0.947 514 Q CA 0.752 56.561 55.803 0.010 0.000 0.937 514 Q CB 0.096 28.840 28.738 0.010 0.000 1.025 514 Q HN 0.536 nan 8.270 nan 0.000 0.511 515 I N 0.427 121.005 120.570 0.013 0.000 3.035 515 I HA -0.037 4.133 4.170 -0.000 0.000 0.271 515 I C 2.198 178.323 176.117 0.013 0.000 1.190 515 I CA 0.161 61.471 61.300 0.016 0.000 1.472 515 I CB -0.073 37.939 38.000 0.021 0.000 1.116 515 I HN 0.066 nan 8.210 nan 0.000 0.443 516 K N 1.106 121.513 120.400 0.012 0.000 2.442 516 K HA -0.170 4.150 4.320 -0.000 0.000 0.200 516 K C 1.644 178.249 176.600 0.008 0.000 1.045 516 K CA 1.424 57.718 56.287 0.010 0.000 0.937 516 K CB -0.029 32.477 32.500 0.009 0.000 0.757 516 K HN 0.299 nan 8.250 nan 0.000 0.474 517 T N 0.445 115.003 114.554 0.008 0.000 2.937 517 T HA -0.001 4.349 4.350 -0.000 0.000 0.260 517 T C 1.145 175.848 174.700 0.004 0.000 1.051 517 T CA 0.649 62.752 62.100 0.005 0.000 1.141 517 T CB 0.098 68.968 68.868 0.004 0.000 0.879 517 T HN 0.222 nan 8.240 nan 0.000 0.459 518 E N 1.128 121.332 120.200 0.006 0.000 2.435 518 E HA 0.209 4.559 4.350 -0.000 0.000 0.195 518 E C 2.131 178.736 176.600 0.008 0.000 1.029 518 E CA 0.283 56.685 56.400 0.004 0.000 0.865 518 E CB -0.010 29.694 29.700 0.006 0.000 0.833 518 E HN 0.482 nan 8.360 nan 0.000 0.510 519 A N 1.002 123.829 122.820 0.011 0.000 1.984 519 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 519 A C 1.794 179.385 177.584 0.012 0.000 1.173 519 A CA 0.499 52.544 52.037 0.013 0.000 0.673 519 A CB -0.031 18.978 19.000 0.014 0.000 0.830 519 A HN 0.075 nan 8.150 nan 0.000 0.453 520 E N 0.216 120.421 120.200 0.009 0.000 2.481 520 E HA 0.026 4.376 4.350 -0.000 0.000 0.195 520 E C 0.117 176.722 176.600 0.008 0.000 1.047 520 E CA -0.056 56.349 56.400 0.008 0.000 0.867 520 E CB 0.108 29.812 29.700 0.006 0.000 0.858 520 E HN 0.419 nan 8.360 nan 0.000 0.513 521 K N 1.835 122.240 120.400 0.007 0.000 2.414 521 K HA 0.073 4.393 4.320 -0.000 0.000 0.272 521 K C 0.095 176.702 176.600 0.013 0.000 0.993 521 K CA 0.242 56.532 56.287 0.007 0.000 0.964 521 K CB 0.602 33.102 32.500 0.001 0.000 0.925 521 K HN -0.090 nan 8.250 nan 0.000 0.487 522 K N 0.986 121.394 120.400 0.013 0.000 2.319 522 K HA 0.057 4.377 4.320 -0.000 0.000 0.265 522 K C -0.048 176.569 176.600 0.029 0.000 1.000 522 K CA -0.085 56.213 56.287 0.018 0.000 0.943 522 K CB 0.714 33.225 32.500 0.017 0.000 0.950 522 K HN 0.440 nan 8.250 nan 0.000 0.485 523 S N 2.223 117.942 115.700 0.031 0.000 2.564 523 S HA 0.066 4.536 4.470 -0.000 0.000 0.278 523 S C -0.153 174.482 174.600 0.058 0.000 1.333 523 S CA -0.607 57.619 58.200 0.043 0.000 1.048 523 S CB 0.698 63.913 63.200 0.024 0.000 0.900 523 S HN 0.338 nan 8.310 nan 0.000 0.505 524 Q N 1.421 121.277 119.800 0.094 0.000 2.301 524 Q HA 0.371 4.711 4.340 -0.000 0.000 0.267 524 Q C -0.296 175.757 176.000 0.087 0.000 1.035 524 Q CA -0.603 55.275 55.803 0.126 0.000 0.856 524 Q CB 1.721 30.601 28.738 0.238 0.000 1.337 524 Q HN 0.776 nan 8.270 nan 0.000 0.450 525 T N -0.797 113.825 114.554 0.114 0.000 2.729 525 T HA 0.507 4.857 4.350 -0.000 0.000 0.296 525 T C 0.506 175.283 174.700 0.128 0.000 0.928 525 T CA -0.586 61.560 62.100 0.078 0.000 1.045 525 T CB 0.127 69.051 68.868 0.093 0.000 0.902 525 T HN 0.369 nan 8.240 nan 0.000 0.500 526 M N 2.987 122.543 119.600 -0.072 0.000 2.250 526 M HA 0.296 4.776 4.480 -0.000 0.000 0.344 526 M C -0.974 175.362 176.300 0.059 0.000 1.150 526 M CA -0.558 54.674 55.300 -0.114 0.000 1.147 526 M CB 0.433 32.752 32.600 -0.468 0.000 1.498 526 M HN 0.550 nan 8.290 nan 0.000 0.461 527 Y N 1.381 121.614 120.300 -0.111 0.000 2.491 527 Y HA 0.429 4.979 4.550 -0.000 0.000 0.334 527 Y C -0.027 175.881 175.900 0.013 0.000 0.969 527 Y CA -0.903 57.180 58.100 -0.029 0.000 1.241 527 Y CB 0.640 39.054 38.460 -0.078 0.000 1.105 527 Y HN 0.341 nan 8.280 nan 0.000 0.503 528 V N 4.672 124.635 119.914 0.082 0.000 2.743 528 V HA 0.701 4.821 4.120 -0.000 0.000 0.301 528 V C 0.036 176.212 176.094 0.136 0.000 1.057 528 V CA -0.424 61.898 62.300 0.038 0.000 1.006 528 V CB 1.683 33.300 31.823 -0.342 0.000 1.024 528 V HN 0.549 nan 8.190 nan 0.000 0.473 529 V N 2.019 122.080 119.914 0.246 0.000 3.258 529 V HA 0.530 4.650 4.120 -0.000 0.000 0.298 529 V C -0.814 175.593 176.094 0.521 0.000 1.489 529 V CA -0.799 61.710 62.300 0.348 0.000 1.062 529 V CB 2.750 34.800 31.823 0.377 0.000 1.116 529 V HN 0.811 nan 8.190 nan 0.000 0.464 530 T N 0.963 115.786 114.554 0.449 0.000 2.881 530 T HA 0.908 5.258 4.350 -0.000 0.000 0.291 530 T C -0.415 174.442 174.700 0.262 0.000 0.990 530 T CA 0.147 62.496 62.100 0.416 0.000 0.976 530 T CB 1.451 70.560 68.868 0.402 0.000 0.970 530 T HN 1.414 nan 8.240 nan 0.000 0.438 531 A N 2.480 125.423 122.820 0.205 0.000 2.467 531 A HA 0.690 5.010 4.320 -0.000 0.000 0.301 531 A C -1.930 175.734 177.584 0.133 0.000 1.126 531 A CA -0.955 51.162 52.037 0.135 0.000 0.632 531 A CB 0.789 19.844 19.000 0.092 0.000 1.331 531 A HN 0.597 nan 8.150 nan 0.000 0.482 532 D N 0.621 121.085 120.400 0.106 0.000 2.256 532 D HA 0.407 5.047 4.640 -0.000 0.000 0.250 532 D C -1.314 175.121 176.300 0.224 0.000 1.093 532 D CA 0.656 54.742 54.000 0.143 0.000 0.882 532 D CB 1.107 41.955 40.800 0.080 0.000 1.185 532 D HN 0.389 nan 8.370 nan 0.000 0.437 533 F N 2.486 122.494 119.950 0.096 0.000 2.307 533 F HA 0.200 4.727 4.527 -0.000 0.000 0.369 533 F C 0.287 176.084 175.800 -0.004 0.000 1.076 533 F CA -0.953 57.058 58.000 0.018 0.000 1.149 533 F CB 0.588 39.574 39.000 -0.025 0.000 1.410 533 F HN -0.021 nan 8.300 nan 0.000 0.481 534 K N 5.332 125.736 120.400 0.007 0.000 2.263 534 K HA 0.071 4.391 4.320 -0.000 0.000 0.282 534 K C 0.860 177.237 176.600 -0.371 0.000 1.089 534 K CA -0.448 55.738 56.287 -0.168 0.000 0.907 534 K CB 0.609 33.063 32.500 -0.078 0.000 1.148 534 K HN 0.614 nan 8.250 nan 0.000 0.470 535 D N 2.015 122.034 120.400 -0.635 0.000 2.640 535 D HA -0.271 4.369 4.640 -0.000 0.000 0.193 535 D C 0.794 176.901 176.300 -0.322 0.000 1.063 535 D CA 1.958 55.553 54.000 -0.675 0.000 0.923 535 D CB 0.169 40.713 40.800 -0.427 0.000 0.883 535 D HN 0.592 nan 8.370 nan 0.000 0.463 536 T N -0.040 114.392 114.554 -0.203 0.000 2.939 536 T HA 0.156 4.506 4.350 -0.000 0.000 0.254 536 T C 1.237 175.872 174.700 -0.109 0.000 1.041 536 T CA 0.363 62.389 62.100 -0.123 0.000 1.142 536 T CB 0.773 69.579 68.868 -0.102 0.000 0.874 536 T HN 0.078 nan 8.240 nan 0.000 0.452 537 I N 1.587 122.094 120.570 -0.106 0.000 2.647 537 I HA 0.443 4.613 4.170 -0.000 0.000 0.295 537 I C -0.968 175.086 176.117 -0.105 0.000 1.078 537 I CA -1.597 59.626 61.300 -0.128 0.000 1.048 537 I CB 2.660 40.594 38.000 -0.110 0.000 1.239 537 I HN -0.150 nan 8.210 nan 0.000 0.421 538 V N 1.811 121.577 119.914 -0.247 0.000 2.370 538 V HA 0.546 4.666 4.120 -0.000 0.000 0.279 538 V C -0.390 175.592 176.094 -0.186 0.000 1.029 538 V CA -0.655 61.479 62.300 -0.276 0.000 0.870 538 V CB 0.796 32.164 31.823 -0.759 0.000 0.984 538 V HN 0.659 nan 8.190 nan 0.000 0.451 539 K N 5.365 125.716 120.400 -0.083 0.000 2.206 539 K HA 0.533 4.853 4.320 -0.000 0.000 0.264 539 K C -2.810 173.774 176.600 -0.026 0.000 0.967 539 K CA -1.889 54.365 56.287 -0.054 0.000 0.844 539 K CB 2.005 34.486 32.500 -0.032 0.000 1.099 539 K HN 0.448 nan 8.250 nan 0.000 0.441 540 P HA -0.008 nan 4.420 nan 0.000 0.266 540 P C -1.185 176.116 177.300 0.002 0.000 1.215 540 P CA -0.060 63.048 63.100 0.014 0.000 0.763 540 P CB 0.693 32.399 31.700 0.010 0.000 0.806 541 Q N 2.140 121.970 119.800 0.050 0.000 2.325 541 Q HA 0.181 4.521 4.340 -0.000 0.000 0.270 541 Q C 0.326 176.415 176.000 0.148 0.000 1.020 541 Q CA -0.319 55.511 55.803 0.046 0.000 0.785 541 Q CB 0.654 29.431 28.738 0.065 0.000 1.259 541 Q HN 0.627 nan 8.270 nan 0.000 0.452 542 H N 1.718 120.836 119.070 0.081 0.000 2.529 542 H HA 0.381 4.937 4.556 -0.000 0.000 0.277 542 H C -0.291 175.096 175.328 0.098 0.000 1.004 542 H CA -0.420 55.688 56.048 0.102 0.000 1.167 542 H CB 0.693 30.508 29.762 0.089 0.000 1.445 542 H HN 0.214 nan 8.280 nan 0.000 0.554 543 K N 2.208 122.810 120.400 0.337 0.000 2.478 543 K HA 0.237 4.556 4.320 -0.000 0.000 0.236 543 K C -0.609 176.035 176.600 0.074 0.000 1.021 543 K CA -0.668 55.734 56.287 0.192 0.000 1.010 543 K CB 0.853 33.475 32.500 0.203 0.000 1.331 543 K HN 0.264 nan 8.250 nan 0.000 0.470 544 I N 2.093 122.656 120.570 -0.012 0.000 2.892 544 I HA -0.002 4.168 4.170 -0.000 0.000 0.287 544 I C -0.465 175.563 176.117 -0.149 0.000 1.205 544 I CA 0.941 62.143 61.300 -0.164 0.000 1.409 544 I CB 0.801 38.497 38.000 -0.507 0.000 1.367 544 I HN 0.703 nan 8.210 nan 0.000 0.597 545 S N 5.505 121.095 115.700 -0.183 0.000 2.565 545 S HA 0.408 4.878 4.470 -0.000 0.000 0.274 545 S C -2.307 172.180 174.600 -0.189 0.000 1.144 545 S CA -0.937 57.178 58.200 -0.143 0.000 0.849 545 S CB 1.817 64.974 63.200 -0.073 0.000 1.103 545 S HN 0.430 nan 8.310 nan 0.000 0.455 546 P HA -0.118 nan 4.420 nan 0.000 0.222 546 P C 0.902 178.097 177.300 -0.175 0.000 1.142 546 P CA 1.115 64.100 63.100 -0.191 0.000 0.788 546 P CB 0.128 31.748 31.700 -0.132 0.000 0.767 547 Q N -0.950 118.768 119.800 -0.136 0.000 2.302 547 Q HA 0.044 4.384 4.340 -0.000 0.000 0.202 547 Q C 1.096 177.056 176.000 -0.068 0.000 0.936 547 Q CA 0.946 56.672 55.803 -0.129 0.000 0.886 547 Q CB -0.354 28.326 28.738 -0.096 0.000 0.986 547 Q HN 0.302 nan 8.270 nan 0.000 0.487 548 K N 1.207 121.578 120.400 -0.049 0.000 2.504 548 K HA 0.239 4.559 4.320 -0.000 0.000 0.199 548 K C 0.310 176.933 176.600 0.038 0.000 1.028 548 K CA -0.040 56.267 56.287 0.033 0.000 1.164 548 K CB -0.138 32.377 32.500 0.026 0.000 0.877 548 K HN 0.186 nan 8.250 nan 0.000 0.508 549 L N 1.381 122.565 121.223 -0.065 0.000 2.315 549 L HA 0.206 4.546 4.340 -0.000 0.000 0.283 549 L C -0.231 176.742 176.870 0.172 0.000 1.089 549 L CA -0.582 54.163 54.840 -0.158 0.000 0.833 549 L CB 0.957 42.683 42.059 -0.554 0.000 1.170 549 L HN -0.274 nan 8.230 nan 0.000 0.442 550 V N 4.590 124.736 119.914 0.388 0.000 2.638 550 V HA 0.487 4.607 4.120 -0.000 0.000 0.306 550 V C -0.161 176.226 176.094 0.489 0.000 1.052 550 V CA -0.628 61.910 62.300 0.397 0.000 0.885 550 V CB 2.413 34.409 31.823 0.288 0.000 0.999 550 V HN 0.399 nan 8.190 nan 0.000 0.424 551 V N 4.471 124.635 119.914 0.417 0.000 2.715 551 V HA 0.558 4.678 4.120 -0.000 0.000 0.310 551 V C -1.213 175.084 176.094 0.338 0.000 1.054 551 V CA -0.866 61.632 62.300 0.328 0.000 0.928 551 V CB 1.954 33.903 31.823 0.209 0.000 1.007 551 V HN 0.802 nan 8.190 nan 0.000 0.437 552 Y N 6.038 126.351 120.300 0.022 0.000 2.373 552 Y HA 0.790 5.340 4.550 -0.000 0.000 0.336 552 Y C -0.828 175.094 175.900 0.036 0.000 0.979 552 Y CA -1.291 56.713 58.100 -0.160 0.000 1.080 552 Y CB 1.647 39.550 38.460 -0.929 0.000 1.190 552 Y HN 0.696 nan 8.280 nan 0.000 0.446 553 F N 1.270 120.670 119.950 -0.917 0.000 3.485 553 F HA 0.324 4.850 4.527 -0.000 0.000 0.328 553 F C -1.115 174.339 175.800 -0.576 0.000 1.111 553 F CA -1.300 56.229 58.000 -0.785 0.000 0.847 553 F CB 0.840 39.624 39.000 -0.361 0.000 1.558 553 F HN 0.139 nan 8.300 nan 0.000 0.491 554 D N 1.930 121.959 120.400 -0.618 0.000 2.885 554 D HA 0.226 4.866 4.640 -0.000 0.000 0.234 554 D C 0.467 176.228 176.300 -0.899 0.000 1.129 554 D CA 0.383 54.031 54.000 -0.586 0.000 0.991 554 D CB 0.137 40.757 40.800 -0.301 0.000 1.137 554 D HN 0.825 nan 8.370 nan 0.000 0.459 555 G N 1.452 109.408 108.800 -1.408 0.000 2.544 555 G HA2 0.220 4.180 3.960 -0.000 0.000 0.242 555 G HA3 0.220 4.180 3.960 -0.000 0.000 0.242 555 G C -2.358 172.364 174.900 -0.296 0.000 1.247 555 G CA -0.836 43.447 45.100 -1.362 0.000 0.840 555 G HN 0.063 nan 8.290 nan 0.000 0.578 556 P HA 0.087 nan 4.420 nan 0.000 0.266 556 P C 0.168 177.545 177.300 0.128 0.000 1.195 556 P CA 0.250 63.347 63.100 -0.005 0.000 0.768 556 P CB 0.669 32.372 31.700 0.004 0.000 0.838 557 E N 1.159 121.395 120.200 0.060 0.000 2.437 557 E HA 0.103 4.453 4.350 -0.000 0.000 0.195 557 E C 0.159 176.786 176.600 0.045 0.000 1.029 557 E CA -0.066 56.364 56.400 0.051 0.000 0.948 557 E CB 0.265 29.973 29.700 0.013 0.000 1.082 557 E HN 0.213 nan 8.360 nan 0.000 0.456 558 K N 1.566 122.003 120.400 0.061 0.000 2.316 558 K HA 0.133 4.453 4.320 -0.000 0.000 0.251 558 K C -0.732 175.909 176.600 0.069 0.000 0.934 558 K CA -0.715 55.602 56.287 0.049 0.000 0.802 558 K CB 1.680 34.201 32.500 0.035 0.000 1.171 558 K HN 0.006 nan 8.250 nan 0.000 0.426 559 D N 3.044 123.478 120.400 0.056 0.000 2.570 559 D HA -0.004 4.636 4.640 -0.000 0.000 0.243 559 D C -0.638 175.704 176.300 0.070 0.000 1.171 559 D CA 0.636 54.673 54.000 0.063 0.000 0.879 559 D CB 0.244 41.070 40.800 0.044 0.000 1.143 559 D HN 0.207 nan 8.370 nan 0.000 0.511 560 L N 3.015 124.293 121.223 0.093 0.000 2.892 560 L HA 0.446 4.786 4.340 -0.000 0.000 0.269 560 L C -1.257 175.673 176.870 0.099 0.000 1.058 560 L CA -0.410 54.481 54.840 0.086 0.000 0.923 560 L CB 2.122 44.231 42.059 0.084 0.000 1.518 560 L HN 0.265 nan 8.230 nan 0.000 0.402 561 T N 2.723 117.325 114.554 0.080 0.000 3.089 561 T HA 0.496 4.846 4.350 -0.000 0.000 0.340 561 T C -0.857 173.881 174.700 0.063 0.000 1.008 561 T CA -0.171 61.976 62.100 0.079 0.000 1.096 561 T CB 0.471 69.376 68.868 0.062 0.000 1.024 561 T HN 0.656 nan 8.240 nan 0.000 0.477 562 M N 2.687 122.327 119.600 0.067 0.000 2.364 562 M HA 0.660 5.140 4.480 -0.000 0.000 0.334 562 M C -0.938 175.383 176.300 0.036 0.000 1.107 562 M CA -0.304 55.024 55.300 0.046 0.000 0.988 562 M CB 1.231 33.858 32.600 0.044 0.000 1.673 562 M HN 0.329 nan 8.290 nan 0.000 0.441 563 S N 3.222 118.938 115.700 0.025 0.000 2.525 563 S HA 0.916 5.386 4.470 -0.000 0.000 0.290 563 S C -0.801 173.801 174.600 0.004 0.000 1.152 563 S CA -0.789 57.422 58.200 0.019 0.000 1.072 563 S CB 1.653 64.865 63.200 0.020 0.000 1.027 563 S HN 0.810 nan 8.310 nan 0.000 0.500 564 A N 1.851 124.669 122.820 -0.002 0.000 2.539 564 A HA 0.803 5.123 4.320 -0.000 0.000 0.296 564 A C -0.801 176.782 177.584 -0.002 0.000 1.073 564 A CA -0.792 51.233 52.037 -0.020 0.000 0.700 564 A CB 1.530 20.486 19.000 -0.073 0.000 1.296 564 A HN 0.579 nan 8.150 nan 0.000 0.405 565 T N 2.452 117.001 114.554 -0.008 0.000 2.864 565 T HA 0.560 4.910 4.350 -0.000 0.000 0.310 565 T C -0.309 174.387 174.700 -0.007 0.000 1.040 565 T CA -0.193 61.909 62.100 0.004 0.000 0.977 565 T CB -0.070 68.799 68.868 0.001 0.000 0.976 565 T HN 0.701 nan 8.240 nan 0.000 0.459 566 L N 0.747 121.973 121.223 0.005 0.000 2.303 566 L HA 1.015 5.355 4.340 -0.000 0.000 0.266 566 L C -0.033 176.835 176.870 -0.003 0.000 1.011 566 L CA -1.089 53.746 54.840 -0.009 0.000 0.818 566 L CB 1.980 44.027 42.059 -0.021 0.000 1.326 566 L HN 0.537 nan 8.230 nan 0.000 0.435 567 S N -0.073 115.617 115.700 -0.016 0.000 2.779 567 S HA 0.547 5.017 4.470 -0.000 0.000 0.293 567 S C -2.753 171.853 174.600 0.009 0.000 1.150 567 S CA -1.181 56.997 58.200 -0.037 0.000 1.057 567 S CB 1.464 64.604 63.200 -0.100 0.000 1.021 567 S HN 0.599 nan 8.310 nan 0.000 0.485 568 P HA 0.094 nan 4.420 nan 0.000 0.262 568 P C -0.146 177.440 177.300 0.477 0.000 1.182 568 P CA -0.144 63.155 63.100 0.332 0.000 0.761 568 P CB 0.661 32.647 31.700 0.476 0.000 0.795 569 L N 1.626 123.199 121.223 0.584 0.000 2.902 569 L HA 0.398 4.738 4.340 -0.000 0.000 0.254 569 L C 1.258 178.546 176.870 0.697 0.000 1.115 569 L CA 0.361 55.606 54.840 0.675 0.000 0.947 569 L CB 0.573 42.825 42.059 0.321 0.000 1.369 569 L HN 0.549 nan 8.230 nan 0.000 0.538 570 G N -1.457 107.606 108.800 0.438 0.000 2.706 570 G HA2 0.408 4.368 3.960 -0.000 0.000 0.307 570 G HA3 0.408 4.368 3.960 -0.000 0.000 0.307 570 G C -2.465 172.407 174.900 -0.046 0.000 1.307 570 G CA -0.287 44.884 45.100 0.118 0.000 0.790 570 G HN -0.248 nan 8.290 nan 0.000 0.503 571 Y N 0.000 120.127 120.300 -0.289 0.000 2.479 571 Y HA 0.544 5.094 4.550 -0.000 0.000 0.338 571 Y C -0.140 175.670 175.900 -0.151 0.000 1.055 571 Y CA -0.622 57.239 58.100 -0.398 0.000 1.023 571 Y CB 2.116 40.182 38.460 -0.655 0.000 1.287 571 Y HN 0.534 nan 8.280 nan 0.000 0.447 572 T N 7.690 121.892 114.554 -0.587 0.000 2.840 572 T HA 0.131 4.481 4.350 -0.000 0.000 0.276 572 T C -0.083 174.322 174.700 -0.491 0.000 0.912 572 T CA -0.090 61.836 62.100 -0.290 0.000 1.116 572 T CB -0.670 68.073 68.868 -0.208 0.000 0.895 572 T HN 0.560 nan 8.240 nan 0.000 0.570 573 L N 5.392 126.554 121.223 -0.102 0.000 2.573 573 L HA 0.008 4.348 4.340 -0.000 0.000 0.290 573 L C 0.850 177.775 176.870 0.092 0.000 1.247 573 L CA 0.860 55.690 54.840 -0.017 0.000 0.876 573 L CB 0.471 42.446 42.059 -0.139 0.000 1.123 573 L HN 0.460 nan 8.230 nan 0.000 0.505 574 V N 2.051 122.036 119.914 0.117 0.000 3.250 574 V HA 0.308 4.428 4.120 -0.000 0.000 0.240 574 V C -0.034 176.192 176.094 0.219 0.000 1.275 574 V CA 0.841 63.222 62.300 0.134 0.000 1.206 574 V CB 0.024 31.894 31.823 0.078 0.000 0.976 574 V HN 1.011 nan 8.190 nan 0.000 0.467 575 D N -0.439 120.059 120.400 0.164 0.000 2.809 575 D HA 0.041 4.681 4.640 -0.000 0.000 0.336 575 D C 0.060 176.367 176.300 0.010 0.000 1.367 575 D CA -0.005 54.066 54.000 0.118 0.000 0.815 575 D CB 1.183 42.026 40.800 0.070 0.000 1.381 575 D HN 0.073 nan 8.370 nan 0.000 0.471 576 E N 0.023 120.196 120.200 -0.046 0.000 2.204 576 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 576 E C 0.431 176.974 176.600 -0.095 0.000 0.989 576 E CA 0.947 57.297 56.400 -0.084 0.000 0.824 576 E CB -0.335 29.310 29.700 -0.091 0.000 0.756 576 E HN 0.358 nan 8.360 nan 0.000 0.477 577 Q N 2.607 122.358 119.800 -0.082 0.000 2.315 577 Q HA 0.069 4.409 4.340 -0.000 0.000 0.289 577 Q C -1.930 173.949 176.000 -0.201 0.000 1.044 577 Q CA -1.440 54.290 55.803 -0.121 0.000 0.920 577 Q CB 0.108 28.795 28.738 -0.085 0.000 1.214 577 Q HN 0.191 nan 8.270 nan 0.000 0.392 578 P HA -0.029 nan 4.420 nan 0.000 0.271 578 P C -0.519 176.461 177.300 -0.534 0.000 1.233 578 P CA -0.136 62.658 63.100 -0.510 0.000 0.789 578 P CB 0.531 31.718 31.700 -0.856 0.000 0.951 579 V N 0.596 120.194 119.914 -0.527 0.000 2.655 579 V HA 0.265 4.385 4.120 -0.000 0.000 0.300 579 V C 1.750 177.621 176.094 -0.373 0.000 1.044 579 V CA 1.081 63.101 62.300 -0.467 0.000 1.095 579 V CB -0.513 30.951 31.823 -0.598 0.000 0.952 579 V HN 1.051 nan 8.190 nan 0.000 0.485 580 G N 4.136 112.831 108.800 -0.175 0.000 2.283 580 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.280 580 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.280 580 G C 0.609 175.496 174.900 -0.021 0.000 1.029 580 G CA 0.500 45.593 45.100 -0.012 0.000 0.840 580 G HN 1.195 nan 8.290 nan 0.000 0.505 581 S N -1.905 113.705 115.700 -0.151 0.000 2.634 581 S HA 0.471 4.941 4.470 -0.000 0.000 0.221 581 S C 0.531 175.295 174.600 0.274 0.000 0.952 581 S CA 0.381 58.540 58.200 -0.069 0.000 0.930 581 S CB 0.648 63.623 63.200 -0.374 0.000 0.780 581 S HN 1.726 nan 8.310 nan 0.000 0.498 582 V N -1.848 118.235 119.914 0.282 0.000 2.569 582 V HA 0.630 4.749 4.120 -0.000 0.000 0.301 582 V C 1.093 177.154 176.094 -0.055 0.000 1.044 582 V CA -0.487 61.908 62.300 0.159 0.000 0.874 582 V CB 0.991 32.862 31.823 0.080 0.000 1.002 582 V HN 0.130 nan 8.190 nan 0.000 0.424 583 S N 4.447 119.859 115.700 -0.480 0.000 2.404 583 S HA -0.262 4.208 4.470 -0.000 0.000 0.230 583 S C 2.153 176.650 174.600 -0.171 0.000 1.046 583 S CA 3.344 61.158 58.200 -0.643 0.000 1.135 583 S CB -0.576 62.305 63.200 -0.532 0.000 1.056 583 S HN 1.828 nan 8.310 nan 0.000 0.426 584 S N 1.690 117.373 115.700 -0.029 0.000 2.399 584 S HA -0.226 4.244 4.470 -0.000 0.000 0.235 584 S C 1.735 176.461 174.600 0.209 0.000 1.063 584 S CA 1.677 59.971 58.200 0.156 0.000 1.070 584 S CB -0.758 62.497 63.200 0.092 0.000 0.904 584 S HN 0.697 nan 8.310 nan 0.000 0.456 585 R N 0.704 121.283 120.500 0.132 0.000 2.334 585 R HA 0.290 4.630 4.340 -0.000 0.000 0.220 585 R C -0.696 175.726 176.300 0.203 0.000 0.917 585 R CA -0.048 56.153 56.100 0.168 0.000 1.073 585 R CB 0.242 30.626 30.300 0.140 0.000 1.056 585 R HN 0.268 nan 8.270 nan 0.000 0.506 586 V N 2.133 122.151 119.914 0.173 0.000 2.364 586 V HA 0.135 4.255 4.120 -0.000 0.000 0.272 586 V C 0.546 176.774 176.094 0.223 0.000 1.036 586 V CA -0.692 61.734 62.300 0.211 0.000 0.880 586 V CB 1.497 33.439 31.823 0.199 0.000 0.991 586 V HN -0.107 nan 8.190 nan 0.000 0.460 587 V N 7.276 127.385 119.914 0.325 0.000 2.843 587 V HA 0.427 4.547 4.120 -0.000 0.000 0.305 587 V C 0.517 176.881 176.094 0.449 0.000 1.065 587 V CA -0.050 62.475 62.300 0.374 0.000 1.116 587 V CB 0.559 32.656 31.823 0.456 0.000 0.968 587 V HN 1.072 nan 8.190 nan 0.000 0.487 588 R N 3.988 124.695 120.500 0.346 0.000 2.747 588 R HA 0.582 4.922 4.340 -0.000 0.000 0.272 588 R C -0.545 175.930 176.300 0.291 0.000 1.032 588 R CA -0.743 55.587 56.100 0.382 0.000 0.896 588 R CB 1.411 31.804 30.300 0.155 0.000 1.253 588 R HN 0.428 nan 8.270 nan 0.000 0.461 589 I N 0.018 120.761 120.570 0.287 0.000 4.728 589 I HA 0.226 4.396 4.170 -0.000 0.000 0.233 589 I C 2.046 178.232 176.117 0.114 0.000 1.004 589 I CA 0.657 62.063 61.300 0.178 0.000 1.677 589 I CB -0.548 37.575 38.000 0.205 0.000 1.509 589 I HN 0.792 nan 8.210 nan 0.000 0.463 590 A N 0.760 123.643 122.820 0.105 0.000 1.858 590 A HA 0.038 4.358 4.320 -0.000 0.000 0.215 590 A C 1.218 178.840 177.584 0.063 0.000 1.320 590 A CA 1.761 53.843 52.037 0.075 0.000 0.601 590 A CB -1.015 18.026 19.000 0.069 0.000 0.976 590 A HN 0.557 nan 8.150 nan 0.000 0.470 591 T N -2.990 111.603 114.554 0.065 0.000 2.938 591 T HA 0.602 4.952 4.350 -0.000 0.000 0.285 591 T C -0.826 173.909 174.700 0.058 0.000 1.028 591 T CA -0.607 61.525 62.100 0.055 0.000 1.005 591 T CB 1.414 70.319 68.868 0.062 0.000 1.157 591 T HN 0.550 nan 8.240 nan 0.000 0.550 592 L N 1.651 122.903 121.223 0.048 0.000 2.345 592 L HA 0.551 4.891 4.340 -0.000 0.000 0.274 592 L C -2.824 174.097 176.870 0.084 0.000 0.999 592 L CA -2.129 52.746 54.840 0.058 0.000 0.849 592 L CB 0.990 43.057 42.059 0.013 0.000 1.220 592 L HN 0.431 nan 8.230 nan 0.000 0.422 593 P HA 0.197 nan 4.420 nan 0.000 0.266 593 P C -1.318 176.047 177.300 0.108 0.000 1.195 593 P CA 0.125 63.322 63.100 0.161 0.000 0.768 593 P CB 0.438 32.219 31.700 0.135 0.000 0.838 594 E N 1.164 121.316 120.200 -0.080 0.000 2.430 594 E HA 0.788 5.138 4.350 -0.000 0.000 0.279 594 E C -1.939 174.233 176.600 -0.712 0.000 1.003 594 E CA -1.474 54.633 56.400 -0.489 0.000 0.801 594 E CB 1.825 31.385 29.700 -0.234 0.000 1.313 594 E HN 0.281 nan 8.360 nan 0.000 0.459 595 A N 1.509 123.729 122.820 -0.999 0.000 2.408 595 A HA 0.653 4.973 4.320 -0.000 0.000 0.295 595 A C -1.736 175.487 177.584 -0.601 0.000 1.040 595 A CA -0.676 50.986 52.037 -0.624 0.000 0.707 595 A CB 0.559 19.111 19.000 -0.746 0.000 1.235 595 A HN 0.424 nan 8.150 nan 0.000 0.418 596 F N 0.593 120.502 119.950 -0.069 0.000 2.483 596 F HA 0.548 5.075 4.527 -0.000 0.000 0.329 596 F C 1.191 177.025 175.800 0.056 0.000 1.064 596 F CA -0.367 57.617 58.000 -0.027 0.000 0.986 596 F CB 1.701 40.702 39.000 0.002 0.000 1.218 596 F HN 0.480 nan 8.300 nan 0.000 0.484 597 T N 2.036 116.707 114.554 0.195 0.000 2.934 597 T HA 0.187 4.537 4.350 -0.000 0.000 0.306 597 T C -0.395 174.350 174.700 0.075 0.000 1.042 597 T CA -0.103 62.042 62.100 0.074 0.000 1.145 597 T CB -0.148 68.653 68.868 -0.111 0.000 0.982 597 T HN 0.589 nan 8.240 nan 0.000 0.544 598 Q N 1.463 121.285 119.800 0.036 0.000 2.294 598 Q HA 0.536 4.876 4.340 -0.000 0.000 0.264 598 Q C 0.168 176.101 176.000 -0.112 0.000 0.992 598 Q CA -1.198 54.584 55.803 -0.034 0.000 0.747 598 Q CB 1.107 29.833 28.738 -0.019 0.000 1.262 598 Q HN 0.835 nan 8.270 nan 0.000 0.452 599 G N 1.804 110.535 108.800 -0.116 0.000 2.370 599 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.293 599 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.293 599 G C 0.910 175.736 174.900 -0.123 0.000 0.992 599 G CA 0.481 45.517 45.100 -0.107 0.000 1.247 599 G HN 2.027 nan 8.290 nan 0.000 0.505 600 G N -0.744 107.937 108.800 -0.198 0.000 2.184 600 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.264 600 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.264 600 G C 0.209 175.029 174.900 -0.132 0.000 0.975 600 G CA 0.627 45.642 45.100 -0.140 0.000 0.642 600 G HN 1.175 nan 8.290 nan 0.000 0.536 601 N N 0.137 118.725 118.700 -0.187 0.000 2.476 601 N HA 0.558 5.298 4.740 -0.000 0.000 0.257 601 N C -0.958 174.596 175.510 0.073 0.000 0.970 601 N CA -0.556 52.510 53.050 0.026 0.000 0.938 601 N CB 0.652 39.151 38.487 0.019 0.000 1.144 601 N HN 0.218 nan 8.380 nan 0.000 0.500 602 Y N 2.600 123.008 120.300 0.181 0.000 2.334 602 Y HA 0.380 4.930 4.550 -0.000 0.000 0.328 602 Y C -1.880 173.947 175.900 -0.122 0.000 1.130 602 Y CA -2.317 55.819 58.100 0.060 0.000 1.163 602 Y CB 0.686 39.133 38.460 -0.021 0.000 1.207 602 Y HN 0.396 nan 8.280 nan 0.000 0.471 603 P HA 0.325 nan 4.420 nan 0.000 0.276 603 P C -0.705 176.341 177.300 -0.424 0.000 1.244 603 P CA -0.134 62.522 63.100 -0.741 0.000 0.801 603 P CB 1.687 32.816 31.700 -0.952 0.000 1.006 604 I N -2.641 117.660 120.570 -0.448 0.000 3.206 604 I HA 0.648 4.818 4.170 -0.000 0.000 0.313 604 I C -1.159 174.627 176.117 -0.552 0.000 1.103 604 I CA -1.497 59.568 61.300 -0.392 0.000 0.985 604 I CB 2.100 39.925 38.000 -0.291 0.000 1.240 604 I HN 0.082 nan 8.210 nan 0.000 0.464 605 F N 1.332 121.037 119.950 -0.407 0.000 2.529 605 F HA 0.517 5.044 4.527 -0.000 0.000 0.320 605 F C -0.999 174.611 175.800 -0.317 0.000 1.118 605 F CA -0.588 57.164 58.000 -0.412 0.000 0.915 605 F CB 1.912 40.431 39.000 -0.801 0.000 1.161 605 F HN 0.319 nan 8.300 nan 0.000 0.445 606 Y N 3.264 123.674 120.300 0.184 0.000 2.365 606 Y HA 0.445 4.995 4.550 -0.000 0.000 0.340 606 Y C 0.010 175.969 175.900 0.099 0.000 1.016 606 Y CA -0.692 57.481 58.100 0.121 0.000 1.196 606 Y CB 0.726 39.239 38.460 0.090 0.000 1.167 606 Y HN 0.140 nan 8.280 nan 0.000 0.509 607 V N 4.775 124.775 119.914 0.143 0.000 2.539 607 V HA 0.472 4.592 4.120 -0.000 0.000 0.292 607 V C -0.436 175.682 176.094 0.039 0.000 1.045 607 V CA -0.782 61.586 62.300 0.113 0.000 0.945 607 V CB 1.416 33.283 31.823 0.073 0.000 0.993 607 V HN 0.916 nan 8.190 nan 0.000 0.464 608 N N 2.474 121.193 118.700 0.032 0.000 2.591 608 N HA 0.402 5.142 4.740 -0.000 0.000 0.263 608 N C -1.332 174.137 175.510 -0.068 0.000 1.308 608 N CA -1.067 51.972 53.050 -0.017 0.000 0.837 608 N CB 1.613 40.125 38.487 0.041 0.000 1.548 608 N HN 0.492 nan 8.380 nan 0.000 0.493 609 K N 0.365 120.706 120.400 -0.098 0.000 2.174 609 K HA 0.504 4.823 4.320 -0.000 0.000 0.275 609 K C -0.555 175.927 176.600 -0.197 0.000 1.015 609 K CA -0.511 55.688 56.287 -0.146 0.000 0.933 609 K CB 1.325 33.750 32.500 -0.125 0.000 1.025 609 K HN 0.600 nan 8.250 nan 0.000 0.463 610 I N 2.105 122.480 120.570 -0.325 0.000 2.533 610 I HA 0.213 4.383 4.170 -0.000 0.000 0.290 610 I C -0.582 175.328 176.117 -0.344 0.000 1.056 610 I CA -0.957 60.014 61.300 -0.548 0.000 1.057 610 I CB 1.210 38.557 38.000 -1.089 0.000 1.240 610 I HN 0.385 nan 8.210 nan 0.000 0.423 611 K N 5.753 126.035 120.400 -0.198 0.000 2.527 611 K HA 0.141 4.461 4.320 -0.000 0.000 0.278 611 K C -0.125 176.418 176.600 -0.096 0.000 0.981 611 K CA 0.066 56.306 56.287 -0.078 0.000 1.009 611 K CB 0.928 33.462 32.500 0.057 0.000 0.895 611 K HN 0.503 nan 8.250 nan 0.000 0.493 612 V N -0.340 119.534 119.914 -0.068 0.000 3.420 612 V HA 0.603 4.723 4.120 -0.000 0.000 0.295 612 V C 1.296 177.428 176.094 0.064 0.000 1.201 612 V CA -0.318 61.954 62.300 -0.047 0.000 0.995 612 V CB 0.287 32.009 31.823 -0.169 0.000 1.244 612 V HN 0.770 nan 8.190 nan 0.000 0.466 613 G N -0.648 108.241 108.800 0.148 0.000 2.519 613 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.161 613 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.161 613 G C 0.751 175.720 174.900 0.115 0.000 1.671 613 G CA 0.820 46.196 45.100 0.459 0.000 1.028 613 G HN 1.242 nan 8.290 nan 0.000 0.486 614 Y N -0.233 119.895 120.300 -0.287 0.000 2.583 614 Y HA 0.365 4.915 4.550 -0.000 0.000 0.293 614 Y C 0.697 176.466 175.900 -0.219 0.000 1.157 614 Y CA -0.932 56.806 58.100 -0.603 0.000 1.315 614 Y CB -0.321 37.667 38.460 -0.787 0.000 1.021 614 Y HN 0.017 nan 8.280 nan 0.000 0.536 615 F N 1.681 121.222 119.950 -0.683 0.000 2.527 615 F HA 0.050 4.577 4.527 -0.000 0.000 0.316 615 F C 1.589 177.141 175.800 -0.413 0.000 1.258 615 F CA -0.263 57.338 58.000 -0.665 0.000 1.314 615 F CB -0.126 38.615 39.000 -0.432 0.000 1.200 615 F HN 0.046 nan 8.300 nan 0.000 0.577 616 D N 0.088 120.419 120.400 -0.114 0.000 1.944 616 D HA -0.032 4.608 4.640 -0.000 0.000 0.262 616 D C 1.175 177.445 176.300 -0.049 0.000 1.127 616 D CA 0.295 54.237 54.000 -0.096 0.000 0.957 616 D CB 0.182 40.935 40.800 -0.077 0.000 1.227 616 D HN 0.335 nan 8.370 nan 0.000 0.483 617 R N -0.018 120.460 120.500 -0.037 0.000 2.386 617 R HA 0.258 4.598 4.340 -0.000 0.000 0.216 617 R C 0.358 176.638 176.300 -0.033 0.000 1.119 617 R CA -0.327 55.758 56.100 -0.025 0.000 1.158 617 R CB -0.470 29.820 30.300 -0.017 0.000 1.057 617 R HN 0.170 nan 8.270 nan 0.000 0.489 618 A N 0.937 123.733 122.820 -0.040 0.000 2.409 618 A HA 0.224 4.544 4.320 -0.000 0.000 0.246 618 A C 0.473 177.994 177.584 -0.104 0.000 1.099 618 A CA 0.386 52.380 52.037 -0.072 0.000 0.789 618 A CB 0.656 19.606 19.000 -0.084 0.000 1.053 618 A HN 0.209 nan 8.150 nan 0.000 0.503 619 T N -1.233 113.239 114.554 -0.137 0.000 2.889 619 T HA 0.565 4.915 4.350 -0.000 0.000 0.315 619 T C -0.548 174.041 174.700 -0.184 0.000 1.291 619 T CA 0.163 62.169 62.100 -0.156 0.000 1.028 619 T CB 1.623 70.414 68.868 -0.129 0.000 1.235 619 T HN 1.081 nan 8.240 nan 0.000 0.491 620 T N 2.115 116.543 114.554 -0.210 0.000 2.940 620 T HA 0.569 4.919 4.350 -0.000 0.000 0.288 620 T C -0.596 173.966 174.700 -0.229 0.000 1.045 620 T CA -0.764 61.209 62.100 -0.212 0.000 1.018 620 T CB 0.806 69.549 68.868 -0.208 0.000 1.151 620 T HN 0.658 nan 8.240 nan 0.000 0.529 621 N N 1.150 119.723 118.700 -0.213 0.000 2.529 621 N HA 0.327 5.067 4.740 -0.000 0.000 0.278 621 N C -0.802 174.546 175.510 -0.269 0.000 1.146 621 N CA -0.132 52.801 53.050 -0.195 0.000 0.980 621 N CB 1.032 39.437 38.487 -0.136 0.000 1.124 621 N HN 0.555 nan 8.380 nan 0.000 0.458 622 C N 4.145 123.331 119.300 -0.189 0.000 2.431 622 C HA 0.448 4.908 4.460 -0.000 0.000 0.321 622 C C -0.702 174.318 174.990 0.050 0.000 1.202 622 C CA -0.773 58.130 59.018 -0.192 0.000 1.398 622 C CB -0.761 26.845 27.740 -0.224 0.000 2.047 622 C HN 0.538 nan 8.230 nan 0.000 0.465 623 Y N 4.081 124.271 120.300 -0.183 0.000 2.326 623 Y HA 0.424 4.974 4.550 -0.000 0.000 0.333 623 Y C 0.582 176.506 175.900 0.040 0.000 1.240 623 Y CA -0.070 57.919 58.100 -0.185 0.000 1.365 623 Y CB 0.719 38.724 38.460 -0.758 0.000 1.289 623 Y HN 0.716 nan 8.280 nan 0.000 0.548 624 N N -1.375 117.588 118.700 0.439 0.000 2.369 624 N HA 0.187 4.927 4.740 -0.000 0.000 0.287 624 N C 0.169 176.015 175.510 0.560 0.000 1.067 624 N CA -0.426 52.885 53.050 0.435 0.000 0.888 624 N CB 1.794 40.474 38.487 0.322 0.000 1.616 624 N HN 0.404 nan 8.380 nan 0.000 0.482 625 S N 1.195 117.167 115.700 0.454 0.000 2.436 625 S HA 0.057 4.527 4.470 -0.000 0.000 0.228 625 S C 0.298 175.037 174.600 0.231 0.000 1.014 625 S CA 0.729 59.113 58.200 0.308 0.000 0.950 625 S CB 0.102 63.512 63.200 0.349 0.000 0.784 625 S HN 0.619 nan 8.310 nan 0.000 0.504 626 Q N -0.349 119.530 119.800 0.131 0.000 2.495 626 Q HA 0.572 4.912 4.340 -0.000 0.000 0.287 626 Q C -1.251 174.574 176.000 -0.291 0.000 1.078 626 Q CA -0.827 54.911 55.803 -0.108 0.000 0.793 626 Q CB 2.018 30.584 28.738 -0.287 0.000 1.459 626 Q HN 0.279 nan 8.270 nan 0.000 0.422 627 I N 2.015 122.222 120.570 -0.604 0.000 2.428 627 I HA -0.042 4.128 4.170 -0.000 0.000 0.289 627 I C 1.335 177.228 176.117 -0.374 0.000 1.019 627 I CA -0.230 60.705 61.300 -0.608 0.000 1.351 627 I CB 0.847 38.306 38.000 -0.901 0.000 1.412 627 I HN 0.650 nan 8.210 nan 0.000 0.513 628 L N 6.854 127.940 121.223 -0.227 0.000 2.054 628 L HA -0.293 4.046 4.340 -0.000 0.000 0.220 628 L C 2.226 178.905 176.870 -0.318 0.000 1.081 628 L CA 2.238 56.945 54.840 -0.223 0.000 0.780 628 L CB -0.397 41.594 42.059 -0.113 0.000 0.893 628 L HN 0.639 nan 8.230 nan 0.000 0.438 629 M N -1.390 118.034 119.600 -0.292 0.000 2.108 629 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 629 M C 2.171 178.248 176.300 -0.371 0.000 1.066 629 M CA 2.288 57.407 55.300 -0.303 0.000 1.107 629 M CB -1.460 31.009 32.600 -0.219 0.000 1.356 629 M HN 0.379 nan 8.290 nan 0.000 0.406 630 T N 0.448 114.749 114.554 -0.422 0.000 2.720 630 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 630 T C 1.989 176.408 174.700 -0.469 0.000 1.037 630 T CA 1.878 63.701 62.100 -0.463 0.000 1.144 630 T CB -0.324 68.259 68.868 -0.475 0.000 0.864 630 T HN 0.390 nan 8.240 nan 0.000 0.444 631 S N 1.460 116.895 115.700 -0.442 0.000 2.368 631 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 631 S C 2.188 176.381 174.600 -0.677 0.000 1.030 631 S CA 0.951 58.870 58.200 -0.469 0.000 0.999 631 S CB -0.317 62.684 63.200 -0.333 0.000 0.844 631 S HN 0.556 nan 8.310 nan 0.000 0.459 632 Q N 0.689 120.144 119.800 -0.574 0.000 1.965 632 Q HA -0.025 4.315 4.340 -0.000 0.000 0.200 632 Q C 2.553 178.309 176.000 -0.406 0.000 0.981 632 Q CA 0.852 56.321 55.803 -0.555 0.000 0.834 632 Q CB -0.149 28.291 28.738 -0.497 0.000 0.900 632 Q HN 0.303 nan 8.270 nan 0.000 0.426 633 R N 0.782 121.092 120.500 -0.316 0.000 2.122 633 R HA -0.179 4.161 4.340 -0.000 0.000 0.236 633 R C 2.351 178.567 176.300 -0.140 0.000 1.129 633 R CA 1.393 57.391 56.100 -0.170 0.000 0.925 633 R CB -1.324 28.824 30.300 -0.253 0.000 0.850 633 R HN 0.324 nan 8.270 nan 0.000 0.431 634 L N 0.484 121.487 121.223 -0.367 0.000 2.189 634 L HA -0.214 4.126 4.340 -0.000 0.000 0.214 634 L C 2.603 179.326 176.870 -0.245 0.000 1.097 634 L CA 1.312 55.939 54.840 -0.355 0.000 0.764 634 L CB -0.561 41.173 42.059 -0.540 0.000 0.900 634 L HN 0.261 nan 8.230 nan 0.000 0.436 635 A N 0.247 122.796 122.820 -0.451 0.000 1.843 635 A HA -0.141 4.179 4.320 -0.000 0.000 0.213 635 A C 2.033 179.502 177.584 -0.192 0.000 1.202 635 A CA 1.184 52.914 52.037 -0.512 0.000 0.607 635 A CB -0.278 17.978 19.000 -1.240 0.000 0.847 635 A HN 0.487 nan 8.150 nan 0.000 0.445 636 E N -0.024 120.071 120.200 -0.176 0.000 2.478 636 E HA 0.192 4.542 4.350 -0.000 0.000 0.194 636 E C 0.960 177.521 176.600 -0.064 0.000 1.045 636 E CA 0.110 56.462 56.400 -0.081 0.000 0.868 636 E CB 0.003 29.666 29.700 -0.062 0.000 0.885 636 E HN 0.477 nan 8.360 nan 0.000 0.505 637 G N 1.462 110.234 108.800 -0.046 0.000 2.531 637 G HA2 0.162 4.122 3.960 -0.000 0.000 0.313 637 G HA3 0.162 4.122 3.960 -0.000 0.000 0.313 637 G C -0.565 174.232 174.900 -0.172 0.000 1.238 637 G CA -0.676 44.339 45.100 -0.142 0.000 0.994 637 G HN 0.097 nan 8.290 nan 0.000 0.493 638 N N -0.178 118.304 118.700 -0.364 0.000 2.886 638 N HA 0.240 4.980 4.740 -0.000 0.000 0.285 638 N C -1.100 174.260 175.510 -0.251 0.000 1.706 638 N CA -0.359 52.573 53.050 -0.197 0.000 0.904 638 N CB 0.349 38.747 38.487 -0.148 0.000 1.224 638 N HN 0.368 nan 8.380 nan 0.000 0.488 639 Y N 0.708 121.033 120.300 0.042 0.000 2.408 639 Y HA 0.439 4.989 4.550 -0.000 0.000 0.324 639 Y C 0.867 176.927 175.900 0.266 0.000 1.302 639 Y CA -0.460 57.724 58.100 0.141 0.000 1.384 639 Y CB 0.854 39.388 38.460 0.123 0.000 1.367 639 Y HN 0.342 nan 8.280 nan 0.000 0.525 640 N N 0.570 119.566 118.700 0.492 0.000 3.049 640 N HA 0.460 5.200 4.740 -0.000 0.000 0.244 640 N C -2.351 173.244 175.510 0.141 0.000 1.203 640 N CA -0.469 52.766 53.050 0.308 0.000 0.945 640 N CB 1.773 40.400 38.487 0.234 0.000 1.616 640 N HN 0.822 nan 8.380 nan 0.000 0.505 641 L N -1.077 120.157 121.223 0.017 0.000 2.643 641 L HA 0.643 4.983 4.340 -0.000 0.000 0.256 641 L C -3.007 173.872 176.870 0.015 0.000 0.931 641 L CA -1.486 53.333 54.840 -0.035 0.000 0.895 641 L CB 1.946 43.891 42.059 -0.191 0.000 1.430 641 L HN 0.242 nan 8.230 nan 0.000 0.419 642 P HA 0.108 nan 4.420 nan 0.000 0.261 642 P C -2.044 175.252 177.300 -0.006 0.000 1.173 642 P CA -0.666 62.440 63.100 0.009 0.000 0.760 642 P CB 0.119 31.816 31.700 -0.004 0.000 0.783 643 P HA -0.151 nan 4.420 nan 0.000 0.236 643 P C 0.110 177.386 177.300 -0.040 0.000 1.172 643 P CA 1.222 64.276 63.100 -0.076 0.000 0.759 643 P CB 0.074 31.666 31.700 -0.180 0.000 0.843 644 D N -2.036 118.342 120.400 -0.037 0.000 2.501 644 D HA 0.123 4.763 4.640 -0.000 0.000 0.224 644 D C 0.077 176.348 176.300 -0.047 0.000 1.202 644 D CA -0.240 53.735 54.000 -0.041 0.000 0.829 644 D CB 0.302 41.079 40.800 -0.038 0.000 1.023 644 D HN -0.025 nan 8.370 nan 0.000 0.499 645 S N -0.419 115.255 115.700 -0.044 0.000 2.745 645 S HA 0.760 5.230 4.470 -0.000 0.000 0.306 645 S C -0.504 174.066 174.600 -0.051 0.000 1.137 645 S CA -0.776 57.396 58.200 -0.047 0.000 0.900 645 S CB 2.011 65.191 63.200 -0.034 0.000 1.176 645 S HN 0.113 nan 8.310 nan 0.000 0.520 646 L N 0.653 121.858 121.223 -0.029 0.000 2.445 646 L HA 0.691 5.031 4.340 -0.000 0.000 0.262 646 L C -0.675 176.242 176.870 0.078 0.000 0.974 646 L CA -1.078 53.770 54.840 0.014 0.000 0.822 646 L CB 1.892 43.964 42.059 0.021 0.000 1.339 646 L HN 0.765 nan 8.230 nan 0.000 0.409 647 A N 2.857 125.780 122.820 0.172 0.000 2.415 647 A HA 0.561 4.881 4.320 -0.000 0.000 0.309 647 A C -0.232 177.597 177.584 0.408 0.000 1.356 647 A CA -0.331 51.909 52.037 0.338 0.000 0.998 647 A CB -0.075 19.207 19.000 0.470 0.000 1.145 647 A HN 0.375 nan 8.150 nan 0.000 0.545 648 V N 3.449 123.478 119.914 0.191 0.000 2.498 648 V HA 0.330 4.450 4.120 -0.000 0.000 0.279 648 V C -0.540 175.559 176.094 0.008 0.000 1.048 648 V CA 0.042 62.419 62.300 0.128 0.000 0.967 648 V CB 0.098 31.905 31.823 -0.025 0.000 0.988 648 V HN 0.705 nan 8.190 nan 0.000 0.473 649 Y N 2.839 123.203 120.300 0.107 0.000 2.512 649 Y HA 0.628 5.178 4.550 -0.000 0.000 0.348 649 Y C 0.150 176.071 175.900 0.036 0.000 0.990 649 Y CA -1.072 57.092 58.100 0.108 0.000 1.033 649 Y CB 1.840 40.396 38.460 0.160 0.000 1.259 649 Y HN 0.516 nan 8.280 nan 0.000 0.461 650 R N 2.495 123.079 120.500 0.140 0.000 2.295 650 R HA 0.635 4.975 4.340 -0.000 0.000 0.324 650 R C -1.721 174.586 176.300 0.011 0.000 0.968 650 R CA -0.622 55.507 56.100 0.048 0.000 0.837 650 R CB 0.413 30.680 30.300 -0.054 0.000 1.133 650 R HN 0.622 nan 8.270 nan 0.000 0.450 651 I N 3.313 123.788 120.570 -0.159 0.000 2.331 651 I HA 0.241 4.411 4.170 -0.000 0.000 0.292 651 I C -0.126 175.911 176.117 -0.133 0.000 0.998 651 I CA 0.176 61.341 61.300 -0.225 0.000 1.267 651 I CB 2.088 39.751 38.000 -0.562 0.000 1.386 651 I HN 0.557 nan 8.210 nan 0.000 0.476 652 T N 5.329 119.873 114.554 -0.017 0.000 2.812 652 T HA 0.336 4.686 4.350 -0.000 0.000 0.282 652 T C -0.445 174.276 174.700 0.034 0.000 0.990 652 T CA -0.785 61.359 62.100 0.073 0.000 0.960 652 T CB 0.937 69.835 68.868 0.051 0.000 0.948 652 T HN 0.623 nan 8.240 nan 0.000 0.438 653 D N 1.471 121.926 120.400 0.093 0.000 2.433 653 D HA 0.116 4.756 4.640 -0.000 0.000 0.255 653 D C 0.430 176.755 176.300 0.042 0.000 1.226 653 D CA -0.687 53.344 54.000 0.052 0.000 1.015 653 D CB 0.782 41.656 40.800 0.123 0.000 1.091 653 D HN 0.250 nan 8.370 nan 0.000 0.527 654 S N -0.484 115.232 115.700 0.025 0.000 3.048 654 S HA 0.153 4.623 4.470 -0.000 0.000 0.254 654 S C 0.104 174.735 174.600 0.051 0.000 1.084 654 S CA -0.093 58.123 58.200 0.026 0.000 1.195 654 S CB -1.026 62.183 63.200 0.015 0.000 0.870 654 S HN 0.490 nan 8.310 nan 0.000 0.483 655 S N -0.875 114.869 115.700 0.073 0.000 3.121 655 S HA 0.421 4.891 4.470 -0.000 0.000 0.324 655 S C 0.588 175.255 174.600 0.112 0.000 1.192 655 S CA -0.358 57.893 58.200 0.084 0.000 0.937 655 S CB 0.884 64.135 63.200 0.086 0.000 1.336 655 S HN 0.038 nan 8.310 nan 0.000 0.664 656 S N 0.128 115.902 115.700 0.122 0.000 2.605 656 S HA 0.333 4.803 4.470 -0.000 0.000 0.217 656 S C 0.079 174.816 174.600 0.230 0.000 0.958 656 S CA -0.018 58.282 58.200 0.167 0.000 0.919 656 S CB -0.436 62.848 63.200 0.140 0.000 0.780 656 S HN 0.501 nan 8.310 nan 0.000 0.507 657 Q N 1.699 121.614 119.800 0.192 0.000 2.259 657 Q HA 0.404 4.744 4.340 -0.000 0.000 0.246 657 Q C -0.627 175.558 176.000 0.309 0.000 0.920 657 Q CA -0.369 55.541 55.803 0.180 0.000 0.895 657 Q CB 0.981 29.795 28.738 0.125 0.000 1.220 657 Q HN 0.598 nan 8.270 nan 0.000 0.439 658 W N 1.736 123.124 121.300 0.148 0.000 3.059 658 W HA 0.627 5.287 4.660 -0.000 0.000 0.329 658 W C -2.255 174.394 176.519 0.216 0.000 1.246 658 W CA -1.200 56.207 57.345 0.104 0.000 1.190 658 W CB 0.539 30.012 29.460 0.023 0.000 1.423 658 W HN 0.649 nan 8.180 nan 0.000 0.571 659 F N -0.156 119.960 119.950 0.277 0.000 2.708 659 F HA 0.476 5.003 4.527 -0.000 0.000 0.309 659 F C -1.375 174.582 175.800 0.262 0.000 1.120 659 F CA -1.087 56.950 58.000 0.061 0.000 0.978 659 F CB 0.905 39.836 39.000 -0.115 0.000 1.283 659 F HN 0.043 nan 8.300 nan 0.000 0.439 660 D N 2.931 123.527 120.400 0.326 0.000 2.264 660 D HA 0.550 5.190 4.640 -0.000 0.000 0.249 660 D C -0.315 176.129 176.300 0.240 0.000 1.070 660 D CA 0.119 54.256 54.000 0.229 0.000 0.912 660 D CB 2.115 43.065 40.800 0.249 0.000 1.193 660 D HN 0.596 nan 8.370 nan 0.000 0.427 661 I N 1.024 121.714 120.570 0.201 0.000 2.436 661 I HA 0.394 4.564 4.170 -0.000 0.000 0.289 661 I C 0.544 176.822 176.117 0.269 0.000 1.010 661 I CA -0.744 60.699 61.300 0.239 0.000 1.098 661 I CB 2.069 40.192 38.000 0.205 0.000 1.266 661 I HN 0.223 nan 8.210 nan 0.000 0.434 662 G N 7.084 116.039 108.800 0.259 0.000 2.379 662 G HA2 0.712 4.672 3.960 -0.000 0.000 0.327 662 G HA3 0.712 4.672 3.960 -0.000 0.000 0.327 662 G C -0.718 174.355 174.900 0.288 0.000 1.145 662 G CA -0.457 44.790 45.100 0.246 0.000 0.905 662 G HN 0.477 nan 8.290 nan 0.000 0.466 663 I N 1.913 122.658 120.570 0.292 0.000 2.336 663 I HA 0.169 4.339 4.170 -0.000 0.000 0.292 663 I C 0.620 176.893 176.117 0.259 0.000 0.991 663 I CA -0.628 60.853 61.300 0.303 0.000 1.227 663 I CB 1.601 39.785 38.000 0.307 0.000 1.366 663 I HN 0.514 nan 8.210 nan 0.000 0.466 664 N N 3.667 122.562 118.700 0.324 0.000 2.371 664 N HA -0.056 4.684 4.740 -0.000 0.000 0.243 664 N C 1.301 176.965 175.510 0.257 0.000 1.287 664 N CA -0.314 52.905 53.050 0.281 0.000 0.911 664 N CB 0.684 39.450 38.487 0.465 0.000 1.142 664 N HN 0.637 nan 8.380 nan 0.000 0.451 665 H N 1.591 120.704 119.070 0.072 0.000 2.457 665 H HA -0.071 4.485 4.556 -0.000 0.000 0.294 665 H C 0.307 175.844 175.328 0.349 0.000 1.064 665 H CA 1.479 57.547 56.048 0.033 0.000 1.330 665 H CB 0.299 30.045 29.762 -0.025 0.000 1.395 665 H HN 0.651 nan 8.280 nan 0.000 0.541 666 D N -0.516 120.192 120.400 0.513 0.000 2.312 666 D HA 0.006 4.646 4.640 -0.000 0.000 0.211 666 D C 1.510 178.039 176.300 0.382 0.000 0.964 666 D CA 1.261 55.561 54.000 0.500 0.000 0.877 666 D CB 0.217 41.350 40.800 0.554 0.000 0.924 666 D HN 0.663 nan 8.370 nan 0.000 0.515 667 G N -0.222 108.761 108.800 0.305 0.000 2.192 667 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.193 667 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.193 667 G C 0.110 174.920 174.900 -0.150 0.000 0.999 667 G CA -0.544 44.538 45.100 -0.030 0.000 0.659 667 G HN 0.192 nan 8.290 nan 0.000 0.503 668 F N 2.137 122.249 119.950 0.269 0.000 2.370 668 F HA 0.674 5.201 4.527 -0.000 0.000 0.324 668 F C 0.997 176.893 175.800 0.160 0.000 1.116 668 F CA -0.211 57.880 58.000 0.153 0.000 1.123 668 F CB 1.633 40.645 39.000 0.020 0.000 1.238 668 F HN 0.031 nan 8.300 nan 0.000 0.536 669 S N 0.510 116.334 115.700 0.208 0.000 2.549 669 S HA 0.637 5.107 4.470 -0.000 0.000 0.297 669 S C -1.393 173.245 174.600 0.063 0.000 1.115 669 S CA -0.640 57.675 58.200 0.193 0.000 1.059 669 S CB 1.127 64.401 63.200 0.123 0.000 1.046 669 S HN 0.372 nan 8.310 nan 0.000 0.506 670 Y N -0.104 120.238 120.300 0.070 0.000 2.633 670 Y HA 0.760 5.310 4.550 -0.000 0.000 0.339 670 Y C -0.131 175.813 175.900 0.074 0.000 1.045 670 Y CA -0.971 57.160 58.100 0.052 0.000 1.098 670 Y CB 1.464 39.958 38.460 0.057 0.000 1.296 670 Y HN 0.407 nan 8.280 nan 0.000 0.494 671 V N -0.300 119.771 119.914 0.262 0.000 2.971 671 V HA 0.431 4.551 4.120 -0.000 0.000 0.309 671 V C 0.302 176.521 176.094 0.209 0.000 1.130 671 V CA -0.782 61.635 62.300 0.195 0.000 0.964 671 V CB 2.190 34.049 31.823 0.059 0.000 1.029 671 V HN 0.941 nan 8.190 nan 0.000 0.427 672 G N 2.967 111.866 108.800 0.166 0.000 3.279 672 G HA2 0.349 4.309 3.960 -0.000 0.000 0.230 672 G HA3 0.349 4.309 3.960 -0.000 0.000 0.230 672 G C -0.065 174.914 174.900 0.131 0.000 1.230 672 G CA 0.367 45.555 45.100 0.146 0.000 0.891 672 G HN 0.398 nan 8.290 nan 0.000 0.518 673 L N -0.607 120.682 121.223 0.109 0.000 2.350 673 L HA 0.328 4.668 4.340 -0.000 0.000 0.260 673 L C 1.215 177.964 176.870 -0.202 0.000 1.015 673 L CA -0.812 54.011 54.840 -0.028 0.000 0.821 673 L CB 2.268 44.237 42.059 -0.150 0.000 1.370 673 L HN 0.065 nan 8.230 nan 0.000 0.416 674 S N -1.742 113.636 115.700 -0.536 0.000 2.593 674 S HA 0.149 4.619 4.470 -0.000 0.000 0.217 674 S C -0.114 174.126 174.600 -0.600 0.000 0.966 674 S CA 0.028 57.501 58.200 -1.211 0.000 0.914 674 S CB -0.117 62.505 63.200 -0.963 0.000 0.776 674 S HN 0.720 nan 8.310 nan 0.000 0.523 675 D N -0.311 119.870 120.400 -0.365 0.000 2.633 675 D HA 0.321 4.961 4.640 -0.000 0.000 0.198 675 D C -1.290 174.872 176.300 -0.229 0.000 1.273 675 D CA -0.294 53.557 54.000 -0.249 0.000 0.830 675 D CB 0.774 41.457 40.800 -0.194 0.000 1.771 675 D HN 0.135 nan 8.370 nan 0.000 0.547 676 L N 3.672 124.754 121.223 -0.235 0.000 2.357 676 L HA 0.601 4.941 4.340 -0.000 0.000 0.273 676 L C -1.601 175.176 176.870 -0.155 0.000 1.080 676 L CA -1.550 53.116 54.840 -0.290 0.000 0.803 676 L CB 0.825 42.631 42.059 -0.423 0.000 1.174 676 L HN 0.336 nan 8.230 nan 0.000 0.443 677 P HA 0.117 nan 4.420 nan 0.000 0.272 677 P C -0.358 176.958 177.300 0.027 0.000 1.254 677 P CA -0.300 62.774 63.100 -0.043 0.000 0.795 677 P CB 0.549 32.231 31.700 -0.031 0.000 1.022 678 N N 0.046 118.770 118.700 0.040 0.000 2.510 678 N HA -0.049 4.691 4.740 -0.000 0.000 0.186 678 N C 0.502 176.065 175.510 0.089 0.000 1.051 678 N CA 0.467 53.556 53.050 0.065 0.000 0.877 678 N CB -0.264 38.242 38.487 0.031 0.000 1.183 678 N HN 0.522 nan 8.380 nan 0.000 0.443 679 D N 1.655 122.097 120.400 0.070 0.000 2.389 679 D HA -0.073 4.566 4.640 -0.000 0.000 0.250 679 D C 0.376 176.747 176.300 0.118 0.000 1.136 679 D CA 0.098 54.144 54.000 0.077 0.000 0.945 679 D CB -0.257 40.574 40.800 0.051 0.000 0.890 679 D HN 0.235 nan 8.370 nan 0.000 0.525 680 L N 1.657 122.985 121.223 0.176 0.000 2.530 680 L HA -0.029 4.311 4.340 -0.000 0.000 0.273 680 L C 0.385 177.410 176.870 0.259 0.000 1.141 680 L CA -0.043 54.944 54.840 0.245 0.000 0.905 680 L CB 0.314 42.606 42.059 0.389 0.000 1.202 680 L HN -0.106 nan 8.230 nan 0.000 0.473 681 S N 4.375 120.182 115.700 0.179 0.000 2.560 681 S HA -0.037 4.433 4.470 -0.000 0.000 0.323 681 S C 0.965 175.665 174.600 0.167 0.000 1.191 681 S CA -0.359 57.931 58.200 0.149 0.000 1.231 681 S CB -0.165 63.092 63.200 0.094 0.000 1.224 681 S HN 0.431 nan 8.310 nan 0.000 0.545 682 F N 4.240 124.220 119.950 0.050 0.000 2.307 682 F HA -0.014 4.513 4.527 -0.000 0.000 0.301 682 F C -1.024 174.756 175.800 -0.033 0.000 1.076 682 F CA -0.287 57.730 58.000 0.029 0.000 1.383 682 F CB -0.687 38.317 39.000 0.008 0.000 1.055 682 F HN 0.367 nan 8.300 nan 0.000 0.526 683 P HA -0.003 nan 4.420 nan 0.000 0.264 683 P C -0.519 176.642 177.300 -0.231 0.000 1.537 683 P CA 0.566 63.598 63.100 -0.113 0.000 1.189 683 P CB -0.255 31.418 31.700 -0.045 0.000 1.687 684 L N 3.021 123.973 121.223 -0.451 0.000 2.439 684 L HA 0.561 4.901 4.340 -0.000 0.000 0.259 684 L C 0.982 177.635 176.870 -0.362 0.000 1.129 684 L CA -0.253 54.319 54.840 -0.448 0.000 0.803 684 L CB 0.733 42.373 42.059 -0.699 0.000 1.161 684 L HN 0.265 nan 8.230 nan 0.000 0.462 685 T N -2.146 112.281 114.554 -0.212 0.000 3.071 685 T HA 0.395 4.745 4.350 -0.000 0.000 0.311 685 T C -0.663 174.042 174.700 0.009 0.000 1.042 685 T CA -0.748 61.288 62.100 -0.107 0.000 1.028 685 T CB 1.636 70.462 68.868 -0.070 0.000 1.068 685 T HN 0.551 nan 8.240 nan 0.000 0.451 686 S N 2.262 118.033 115.700 0.119 0.000 2.537 686 S HA 0.876 5.346 4.470 -0.000 0.000 0.301 686 S C -0.345 174.379 174.600 0.207 0.000 1.092 686 S CA -0.401 57.932 58.200 0.222 0.000 1.048 686 S CB 1.232 64.675 63.200 0.405 0.000 1.053 686 S HN 1.291 nan 8.310 nan 0.000 0.501 687 T N 1.659 116.335 114.554 0.203 0.000 2.952 687 T HA 0.515 4.865 4.350 -0.000 0.000 0.305 687 T C -0.851 173.944 174.700 0.158 0.000 1.064 687 T CA -0.597 61.600 62.100 0.163 0.000 1.008 687 T CB 0.765 69.657 68.868 0.040 0.000 1.078 687 T HN 0.535 nan 8.240 nan 0.000 0.459 688 F N 4.340 124.253 119.950 -0.063 0.000 2.538 688 F HA 0.372 4.899 4.527 -0.000 0.000 0.371 688 F C 1.113 176.772 175.800 -0.234 0.000 1.087 688 F CA -1.144 56.636 58.000 -0.367 0.000 1.250 688 F CB 0.692 39.458 39.000 -0.390 0.000 1.110 688 F HN 0.553 nan 8.300 nan 0.000 0.570 689 M N 3.843 122.905 119.600 -0.896 0.000 2.552 689 M HA 0.328 4.808 4.480 -0.000 0.000 0.264 689 M C 1.048 176.756 176.300 -0.987 0.000 1.159 689 M CA 1.074 55.956 55.300 -0.698 0.000 1.176 689 M CB -0.951 31.398 32.600 -0.419 0.000 1.327 689 M HN 0.796 nan 8.290 nan 0.000 0.481 690 G N -0.350 107.439 108.800 -1.684 0.000 2.291 690 G HA2 0.139 4.099 3.960 -0.000 0.000 0.249 690 G HA3 0.139 4.099 3.960 -0.000 0.000 0.249 690 G C -1.650 172.955 174.900 -0.492 0.000 1.340 690 G CA -0.745 43.669 45.100 -1.144 0.000 1.017 690 G HN 0.028 nan 8.290 nan 0.000 0.470 691 V N 1.080 120.901 119.914 -0.155 0.000 2.555 691 V HA 0.744 4.864 4.120 -0.000 0.000 0.302 691 V C -0.022 176.037 176.094 -0.059 0.000 1.038 691 V CA -0.396 61.888 62.300 -0.027 0.000 0.887 691 V CB 1.421 33.275 31.823 0.051 0.000 0.991 691 V HN 0.778 nan 8.190 nan 0.000 0.434 692 Q N 2.781 122.555 119.800 -0.043 0.000 2.423 692 Q HA 0.612 4.952 4.340 -0.000 0.000 0.278 692 Q C -1.199 174.776 176.000 -0.043 0.000 1.097 692 Q CA -0.896 54.877 55.803 -0.049 0.000 0.809 692 Q CB 2.946 31.653 28.738 -0.052 0.000 1.391 692 Q HN 0.578 nan 8.270 nan 0.000 0.428 693 L N 1.179 122.374 121.223 -0.047 0.000 2.456 693 L HA 0.079 4.419 4.340 -0.000 0.000 0.272 693 L C 1.168 177.999 176.870 -0.064 0.000 1.189 693 L CA 0.069 54.879 54.840 -0.051 0.000 0.846 693 L CB 0.393 42.422 42.059 -0.050 0.000 1.111 693 L HN 0.924 nan 8.230 nan 0.000 0.475 694 A N 3.372 126.143 122.820 -0.082 0.000 2.015 694 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 694 A C 2.079 179.594 177.584 -0.115 0.000 1.163 694 A CA 0.996 52.957 52.037 -0.126 0.000 0.646 694 A CB -0.356 18.545 19.000 -0.166 0.000 0.806 694 A HN 0.831 nan 8.150 nan 0.000 0.448 695 R N -0.668 119.781 120.500 -0.085 0.000 2.341 695 R HA 0.021 4.361 4.340 -0.000 0.000 0.213 695 R C -0.321 175.943 176.300 -0.061 0.000 1.082 695 R CA 0.336 56.393 56.100 -0.071 0.000 1.017 695 R CB -0.343 29.923 30.300 -0.057 0.000 0.860 695 R HN 0.337 nan 8.270 nan 0.000 0.473 696 V N 1.578 121.458 119.914 -0.057 0.000 2.472 696 V HA 0.108 4.228 4.120 -0.000 0.000 0.290 696 V C 0.233 176.309 176.094 -0.030 0.000 1.037 696 V CA -1.012 61.263 62.300 -0.041 0.000 0.908 696 V CB 1.722 33.522 31.823 -0.038 0.000 0.985 696 V HN 0.046 nan 8.190 nan 0.000 0.454 697 K N 4.610 125.001 120.400 -0.015 0.000 2.402 697 K HA 0.223 4.543 4.320 -0.000 0.000 0.285 697 K C -0.300 176.320 176.600 0.033 0.000 1.054 697 K CA -0.301 55.992 56.287 0.009 0.000 1.001 697 K CB 0.111 32.621 32.500 0.016 0.000 0.946 697 K HN 0.556 nan 8.250 nan 0.000 0.473 698 L N 3.930 125.187 121.223 0.055 0.000 2.559 698 L HA -0.055 4.285 4.340 -0.000 0.000 0.282 698 L C 0.794 177.726 176.870 0.103 0.000 1.232 698 L CA -0.136 54.758 54.840 0.090 0.000 0.885 698 L CB 0.453 42.590 42.059 0.131 0.000 1.131 698 L HN 0.779 nan 8.230 nan 0.000 0.498 699 A N 3.398 126.301 122.820 0.138 0.000 2.327 699 A HA 0.674 4.994 4.320 -0.000 0.000 0.255 699 A C 0.150 177.786 177.584 0.087 0.000 1.099 699 A CA 0.342 52.473 52.037 0.156 0.000 0.801 699 A CB 0.701 19.877 19.000 0.294 0.000 1.062 699 A HN 0.821 nan 8.150 nan 0.000 0.496 700 S N -0.514 115.048 115.700 -0.230 0.000 2.683 700 S HA 0.519 4.989 4.470 -0.000 0.000 0.278 700 S C -1.303 172.714 174.600 -0.971 0.000 1.059 700 S CA -0.769 57.014 58.200 -0.695 0.000 0.847 700 S CB 1.071 64.133 63.200 -0.230 0.000 1.078 700 S HN 1.000 nan 8.310 nan 0.000 0.456 701 K N 1.765 121.380 120.400 -1.309 0.000 2.764 701 K HA 0.525 4.845 4.320 -0.000 0.000 0.239 701 K C -1.187 175.110 176.600 -0.505 0.000 1.048 701 K CA -0.456 55.329 56.287 -0.836 0.000 1.057 701 K CB 1.104 33.083 32.500 -0.870 0.000 1.251 701 K HN 1.145 nan 8.250 nan 0.000 0.524 702 V N -0.071 119.677 119.914 -0.277 0.000 2.876 702 V HA 0.614 4.734 4.120 -0.000 0.000 0.312 702 V C -0.403 175.633 176.094 -0.098 0.000 1.085 702 V CA -1.111 61.100 62.300 -0.148 0.000 0.945 702 V CB 1.845 33.586 31.823 -0.137 0.000 1.017 702 V HN 0.468 nan 8.190 nan 0.000 0.428 703 K N 0.000 120.367 120.400 -0.055 0.000 2.780 703 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 703 K CA 0.000 56.265 56.287 -0.037 0.000 0.838 703 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 703 K HN 0.000 nan 8.250 nan 0.000 0.543