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 3gdb_1_A DATA FIRST_RESID 173 DATA SEQUENCE TLKPKEIKFN SWEELLKWEP GAREDDAINR GSVVLASRRT GHLVNEKASK DATA SEQUENCE EAKVQALSNT NSKAKDHASV GGEEFKAYAF DYWQYLDSMV FWEGLVPTPD DATA SEQUENCE VIDAGHRNGV PVYGTLFFNW SNSIADQERF AEALKQDADG SFPIARKLVD DATA SEQUENCE MAKYYGYDGY FINQETTGDL VKPLGEKMRQ FMLYSKEYAA KVNHPIKYSW DATA SEQUENCE YDAMTYNYGR YHQDGLGEYN YQFMQPEGDK VPADNFFANF NWDKAKNDYT DATA SEQUENCE IATANWIGRN PYDVFAGLEL QQGGSYKTKV KWNDILDENG KLRLSLGLFA DATA SEQUENCE PDTITSLGKT GEDYHKNEDI FFTGYQGDPT GQKPGDKDWY GIANLVADRT DATA SEQUENCE PAVGNTFTTS FNTGHGKKWF VDGKVSKDSE WNYRSVSGVL PTWRWWQTST DATA SEQUENCE GEKLRAEYDF TDAYNGGNSL KFSGDVAGKT DQDVRLYSTK LEVTEKTKLR DATA SEQUENCE VAHKGGKGSK VYMAFSTTPD YKFDDADAWK ELTLSDNWTN EEFDLSSLAG DATA SEQUENCE KTIYAVKLFF EHEGAVKDYQ FNLGQLTISD NHQEPQSPTS FSVVKQSLKN DATA SEQUENCE AQEAEAVVQF KGNKDADFYE VYEKDGDSWK LLTGSSSTTI YLPKVSRSAS DATA SEQUENCE AQGTTQELKV VAVGKNGVRS EAATTTFDWG MTVK 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 173 T HA 0.000 nan 4.350 nan 0.000 0.228 173 T C 0.000 174.691 174.700 -0.014 0.000 1.109 173 T CA 0.000 62.098 62.100 -0.003 0.000 1.349 173 T CB 0.000 68.854 68.868 -0.023 0.000 0.612 174 L N 0.992 122.216 121.223 0.001 0.000 2.357 174 L HA 0.374 4.750 4.340 0.060 0.000 0.211 174 L C 1.324 178.046 176.870 -0.246 0.000 1.075 174 L CA 0.994 55.839 54.840 0.010 0.000 0.830 174 L CB -0.119 42.055 42.059 0.192 0.000 0.996 174 L HN 0.606 nan 8.230 nan 0.000 0.467 175 K N 2.652 122.805 120.400 -0.411 0.000 2.436 175 K HA 0.082 4.438 4.320 0.060 0.000 0.282 175 K C -2.243 174.061 176.600 -0.494 0.000 1.044 175 K CA -1.478 54.277 56.287 -0.886 0.000 1.028 175 K CB 0.534 32.760 32.500 -0.456 0.000 0.919 175 K HN -0.072 nan 8.250 nan 0.000 0.474 176 P HA 0.135 nan 4.420 nan 0.000 0.275 176 P C -1.251 175.952 177.300 -0.162 0.000 1.227 176 P CA -0.169 62.807 63.100 -0.208 0.000 0.781 176 P CB 1.029 32.661 31.700 -0.113 0.000 0.906 177 K N 1.809 122.133 120.400 -0.128 0.000 2.385 177 K HA 0.343 4.699 4.320 0.060 0.000 0.248 177 K C 0.147 176.676 176.600 -0.119 0.000 0.955 177 K CA -0.967 55.234 56.287 -0.143 0.000 0.816 177 K CB 1.793 34.199 32.500 -0.156 0.000 1.250 177 K HN 0.467 nan 8.250 nan 0.000 0.434 178 E N 1.311 121.441 120.200 -0.116 0.000 2.481 178 E HA -0.009 4.378 4.350 0.060 0.000 0.263 178 E C -0.146 176.369 176.600 -0.141 0.000 0.992 178 E CA 0.339 56.687 56.400 -0.086 0.000 0.938 178 E CB 0.367 30.076 29.700 0.016 0.000 0.933 178 E HN 0.298 nan 8.360 nan 0.000 0.453 179 I N 3.595 124.052 120.570 -0.190 0.000 2.312 179 I HA 0.146 4.352 4.170 0.060 0.000 0.291 179 I C 0.166 176.091 176.117 -0.320 0.000 1.031 179 I CA 0.048 61.179 61.300 -0.282 0.000 1.293 179 I CB 0.408 38.231 38.000 -0.294 0.000 1.403 179 I HN 0.215 nan 8.210 nan 0.000 0.484 180 K N 6.140 126.273 120.400 -0.444 0.000 2.426 180 K HA 0.653 5.009 4.320 0.060 0.000 0.251 180 K C -1.426 174.810 176.600 -0.606 0.000 0.941 180 K CA -0.694 55.374 56.287 -0.366 0.000 0.808 180 K CB 2.531 34.931 32.500 -0.166 0.000 1.265 180 K HN 0.199 nan 8.250 nan 0.000 0.432 181 F N 1.015 120.950 119.950 -0.025 0.000 2.507 181 F HA 0.329 4.892 4.527 0.060 0.000 0.325 181 F C 1.107 176.844 175.800 -0.105 0.000 1.116 181 F CA -0.903 57.078 58.000 -0.032 0.000 0.930 181 F CB 1.421 40.417 39.000 -0.007 0.000 1.146 181 F HN 0.448 nan 8.300 nan 0.000 0.447 182 N N 0.569 119.314 118.700 0.075 0.000 2.424 182 N HA -0.005 4.771 4.740 0.060 0.000 0.178 182 N C -0.100 175.366 175.510 -0.073 0.000 1.060 182 N CA 0.417 53.456 53.050 -0.018 0.000 0.901 182 N CB 0.339 38.822 38.487 -0.006 0.000 0.979 182 N HN 0.608 nan 8.380 nan 0.000 0.451 183 S N -2.132 113.537 115.700 -0.052 0.000 2.588 183 S HA 0.286 4.792 4.470 0.060 0.000 0.269 183 S C 0.038 174.591 174.600 -0.078 0.000 1.157 183 S CA -0.990 57.139 58.200 -0.120 0.000 0.824 183 S CB 0.191 63.393 63.200 0.004 0.000 1.126 183 S HN 0.199 nan 8.310 nan 0.000 0.464 184 W N 0.841 122.173 121.300 0.054 0.000 2.374 184 W HA 0.002 4.698 4.660 0.060 0.000 0.288 184 W C 2.330 178.861 176.519 0.020 0.000 1.218 184 W CA 0.917 58.275 57.345 0.021 0.000 1.245 184 W CB -0.100 29.380 29.460 0.033 0.000 1.126 184 W HN 0.831 nan 8.180 nan 0.000 0.545 185 E N 0.607 120.952 120.200 0.242 0.000 2.070 185 E HA -0.315 4.071 4.350 0.060 0.000 0.197 185 E C 1.946 178.642 176.600 0.161 0.000 1.004 185 E CA 1.855 58.354 56.400 0.166 0.000 0.805 185 E CB -0.209 29.564 29.700 0.121 0.000 0.744 185 E HN 0.413 nan 8.360 nan 0.000 0.451 186 E N 0.537 120.844 120.200 0.178 0.000 2.051 186 E HA -0.229 4.157 4.350 0.060 0.000 0.192 186 E C 2.203 178.949 176.600 0.244 0.000 0.991 186 E CA 0.995 57.544 56.400 0.248 0.000 0.799 186 E CB -0.148 29.747 29.700 0.324 0.000 0.748 186 E HN 0.132 nan 8.360 nan 0.000 0.449 187 L N 0.880 122.129 121.223 0.042 0.000 2.043 187 L HA -0.167 4.209 4.340 0.060 0.000 0.212 187 L C 2.157 179.030 176.870 0.006 0.000 1.075 187 L CA 1.664 56.308 54.840 -0.327 0.000 0.752 187 L CB -0.407 41.463 42.059 -0.315 0.000 0.891 187 L HN 0.291 nan 8.230 nan 0.000 0.432 188 L N -0.947 120.337 121.223 0.102 0.000 2.275 188 L HA -0.181 4.195 4.340 0.060 0.000 0.215 188 L C 2.234 179.186 176.870 0.137 0.000 1.119 188 L CA 1.017 55.924 54.840 0.111 0.000 0.790 188 L CB -0.455 41.660 42.059 0.093 0.000 0.919 188 L HN 0.233 nan 8.230 nan 0.000 0.443 189 K N -1.050 119.445 120.400 0.159 0.000 2.487 189 K HA -0.087 4.269 4.320 0.060 0.000 0.192 189 K C 0.307 177.022 176.600 0.191 0.000 1.027 189 K CA -0.207 56.169 56.287 0.148 0.000 1.054 189 K CB 0.095 32.678 32.500 0.139 0.000 0.824 189 K HN 0.155 nan 8.250 nan 0.000 0.510 190 W N 2.882 124.229 121.300 0.078 0.000 2.210 190 W HA -0.027 4.669 4.660 0.060 0.000 0.330 190 W C -0.335 176.214 176.519 0.050 0.000 1.334 190 W CA 0.454 57.872 57.345 0.120 0.000 1.227 190 W CB 0.613 30.157 29.460 0.140 0.000 1.178 190 W HN -0.096 nan 8.180 nan 0.000 0.560 191 E N 6.991 126.641 120.200 -0.917 0.000 2.314 191 E HA 0.259 4.645 4.350 0.060 0.000 0.272 191 E C -2.438 173.105 176.600 -1.762 0.000 0.884 191 E CA -2.217 53.551 56.400 -1.053 0.000 0.753 191 E CB 1.455 30.869 29.700 -0.477 0.000 1.213 191 E HN 0.238 nan 8.360 nan 0.000 0.432 192 P HA 0.020 nan 4.420 nan 0.000 0.264 192 P C 0.753 177.492 177.300 -0.935 0.000 1.193 192 P CA 0.826 62.959 63.100 -1.613 0.000 0.763 192 P CB 0.417 31.465 31.700 -1.087 0.000 0.810 193 G N 2.991 111.371 108.800 -0.700 0.000 2.179 193 G HA2 -0.314 3.682 3.960 0.060 0.000 0.260 193 G HA3 -0.314 3.682 3.960 0.060 0.000 0.260 193 G C 0.895 175.701 174.900 -0.156 0.000 0.977 193 G CA 0.269 45.257 45.100 -0.186 0.000 0.641 193 G HN 0.753 nan 8.290 nan 0.000 0.533 194 A N -0.330 122.328 122.820 -0.270 0.000 2.238 194 A HA 0.559 4.915 4.320 0.060 0.000 0.208 194 A C 1.279 178.823 177.584 -0.066 0.000 1.177 194 A CA 0.828 52.760 52.037 -0.175 0.000 0.804 194 A CB 0.040 18.897 19.000 -0.239 0.000 0.823 194 A HN 0.543 nan 8.150 nan 0.000 0.482 195 R N -0.609 119.892 120.500 0.002 0.000 2.589 195 R HA 0.343 4.720 4.340 0.060 0.000 0.293 195 R C 0.606 176.947 176.300 0.069 0.000 0.963 195 R CA -0.475 55.663 56.100 0.065 0.000 0.905 195 R CB 1.245 31.631 30.300 0.144 0.000 1.144 195 R HN 0.402 nan 8.270 nan 0.000 0.459 196 E N 1.436 121.662 120.200 0.044 0.000 2.204 196 E HA -0.205 4.181 4.350 0.060 0.000 0.195 196 E C 0.144 176.772 176.600 0.047 0.000 0.990 196 E CA 1.592 58.012 56.400 0.034 0.000 0.821 196 E CB 0.277 29.986 29.700 0.015 0.000 0.750 196 E HN 0.623 nan 8.360 nan 0.000 0.477 197 D N -0.598 119.837 120.400 0.058 0.000 2.368 197 D HA -0.042 4.634 4.640 0.060 0.000 0.218 197 D C 0.725 177.105 176.300 0.133 0.000 1.112 197 D CA -0.101 53.935 54.000 0.059 0.000 0.834 197 D CB 0.095 40.897 40.800 0.004 0.000 0.953 197 D HN 0.026 nan 8.370 nan 0.000 0.505 198 D N 1.464 121.986 120.400 0.204 0.000 2.123 198 D HA -0.120 4.556 4.640 0.060 0.000 0.196 198 D C 2.136 178.595 176.300 0.266 0.000 0.992 198 D CA 1.765 55.984 54.000 0.365 0.000 0.833 198 D CB -0.225 40.836 40.800 0.435 0.000 0.954 198 D HN 0.339 nan 8.370 nan 0.000 0.455 199 A N 0.449 123.360 122.820 0.152 0.000 1.940 199 A HA -0.164 4.192 4.320 0.060 0.000 0.219 199 A C 2.349 179.969 177.584 0.060 0.000 1.176 199 A CA 1.069 53.151 52.037 0.076 0.000 0.631 199 A CB -0.608 18.411 19.000 0.032 0.000 0.814 199 A HN 0.253 nan 8.150 nan 0.000 0.446 200 I N -0.681 119.937 120.570 0.080 0.000 2.480 200 I HA -0.125 4.082 4.170 0.060 0.000 0.251 200 I C 1.747 177.923 176.117 0.097 0.000 1.124 200 I CA 0.690 62.035 61.300 0.076 0.000 1.444 200 I CB -0.328 37.714 38.000 0.070 0.000 1.098 200 I HN 0.210 nan 8.210 nan 0.000 0.428 201 N N 1.299 120.078 118.700 0.132 0.000 2.459 201 N HA -0.016 4.760 4.740 0.060 0.000 0.181 201 N C 0.418 176.051 175.510 0.205 0.000 1.046 201 N CA 0.461 53.583 53.050 0.120 0.000 0.904 201 N CB -0.074 38.450 38.487 0.062 0.000 0.964 201 N HN 0.291 nan 8.380 nan 0.000 0.444 202 R N 0.602 121.254 120.500 0.254 0.000 2.537 202 R HA 0.207 4.583 4.340 0.060 0.000 0.280 202 R C 0.886 177.248 176.300 0.103 0.000 1.058 202 R CA -0.124 56.087 56.100 0.186 0.000 1.057 202 R CB 0.241 30.490 30.300 -0.086 0.000 0.973 202 R HN -0.001 nan 8.270 nan 0.000 0.438 203 G N 0.701 109.562 108.800 0.103 0.000 2.432 203 G HA2 0.038 4.034 3.960 0.060 0.000 0.239 203 G HA3 0.038 4.034 3.960 0.060 0.000 0.239 203 G C 0.180 175.111 174.900 0.053 0.000 1.291 203 G CA -0.473 44.658 45.100 0.052 0.000 0.863 203 G HN 0.587 nan 8.290 nan 0.000 0.560 204 S N -0.057 115.685 115.700 0.069 0.000 2.549 204 S HA 0.142 4.648 4.470 0.060 0.000 0.225 204 S C 0.525 175.191 174.600 0.109 0.000 1.039 204 S CA -0.161 58.090 58.200 0.086 0.000 0.942 204 S CB 0.771 64.037 63.200 0.111 0.000 0.881 204 S HN 0.369 nan 8.310 nan 0.000 0.503 205 V N 2.825 122.812 119.914 0.122 0.000 2.394 205 V HA 0.388 4.544 4.120 0.060 0.000 0.282 205 V C 0.184 176.413 176.094 0.226 0.000 1.031 205 V CA -0.741 61.644 62.300 0.141 0.000 0.881 205 V CB 1.537 33.430 31.823 0.117 0.000 0.982 205 V HN 0.061 nan 8.190 nan 0.000 0.451 206 V N 5.565 125.559 119.914 0.134 0.000 2.740 206 V HA 0.069 4.225 4.120 0.060 0.000 0.303 206 V C 0.396 176.449 176.094 -0.069 0.000 1.054 206 V CA -0.259 62.085 62.300 0.072 0.000 1.106 206 V CB 1.325 33.163 31.823 0.026 0.000 0.957 206 V HN 0.709 nan 8.190 nan 0.000 0.486 207 L N 6.141 127.127 121.223 -0.395 0.000 2.615 207 L HA 0.310 4.686 4.340 0.060 0.000 0.271 207 L C 0.665 177.410 176.870 -0.208 0.000 1.183 207 L CA 0.497 54.995 54.840 -0.570 0.000 0.933 207 L CB -0.350 41.285 42.059 -0.707 0.000 1.199 207 L HN 0.782 nan 8.230 nan 0.000 0.487 208 A N 4.244 126.991 122.820 -0.121 0.000 2.386 208 A HA 0.497 4.854 4.320 0.060 0.000 0.248 208 A C 0.602 178.160 177.584 -0.043 0.000 1.082 208 A CA -0.256 51.747 52.037 -0.056 0.000 0.789 208 A CB -0.003 18.983 19.000 -0.025 0.000 1.025 208 A HN 0.840 nan 8.150 nan 0.000 0.490 209 S N 0.680 116.367 115.700 -0.022 0.000 2.592 209 S HA 0.443 4.949 4.470 0.060 0.000 0.271 209 S C 0.296 174.900 174.600 0.008 0.000 1.326 209 S CA -0.277 57.920 58.200 -0.005 0.000 1.024 209 S CB 0.477 63.676 63.200 -0.001 0.000 0.921 209 S HN 0.653 nan 8.310 nan 0.000 0.527 210 R N 0.624 121.138 120.500 0.023 0.000 2.807 210 R HA 0.514 4.890 4.340 0.060 0.000 0.276 210 R C -0.415 175.910 176.300 0.042 0.000 0.979 210 R CA -0.889 55.230 56.100 0.032 0.000 0.928 210 R CB 1.909 32.238 30.300 0.048 0.000 1.191 210 R HN 0.582 nan 8.270 nan 0.000 0.471 211 R N 0.624 121.152 120.500 0.047 0.000 2.604 211 R HA 0.336 4.712 4.340 0.060 0.000 0.287 211 R C -1.077 175.276 176.300 0.089 0.000 0.970 211 R CA -0.354 55.788 56.100 0.070 0.000 0.946 211 R CB 1.659 32.008 30.300 0.082 0.000 1.127 211 R HN 0.501 nan 8.270 nan 0.000 0.473 212 T N 2.893 117.506 114.554 0.099 0.000 2.747 212 T HA 0.288 4.675 4.350 0.060 0.000 0.301 212 T C 0.367 175.158 174.700 0.152 0.000 0.952 212 T CA -0.435 61.734 62.100 0.116 0.000 0.983 212 T CB 1.241 70.164 68.868 0.091 0.000 0.930 212 T HN 0.743 nan 8.240 nan 0.000 0.494 213 G N 1.066 110.002 108.800 0.227 0.000 2.616 213 G HA2 0.261 4.257 3.960 0.060 0.000 0.268 213 G HA3 0.261 4.257 3.960 0.060 0.000 0.268 213 G C -0.198 174.866 174.900 0.273 0.000 1.213 213 G CA -0.615 44.682 45.100 0.328 0.000 0.926 213 G HN 0.840 nan 8.290 nan 0.000 0.523 214 H N -1.059 118.052 119.070 0.068 0.000 3.115 214 H HA 0.026 4.618 4.556 0.060 0.000 0.324 214 H C 0.476 175.918 175.328 0.189 0.000 1.007 214 H CA -0.275 55.767 56.048 -0.011 0.000 1.385 214 H CB 0.328 29.885 29.762 -0.342 0.000 1.351 214 H HN 0.198 nan 8.280 nan 0.000 0.592 215 L N 5.894 127.049 121.223 -0.114 0.000 2.499 215 L HA -0.057 4.319 4.340 0.060 0.000 0.273 215 L C 1.120 178.070 176.870 0.134 0.000 1.195 215 L CA 0.594 55.446 54.840 0.019 0.000 0.882 215 L CB 0.845 42.837 42.059 -0.110 0.000 1.133 215 L HN 0.763 nan 8.230 nan 0.000 0.483 216 V N 0.481 120.454 119.914 0.098 0.000 3.644 216 V HA 0.326 4.482 4.120 0.060 0.000 0.267 216 V C 0.595 176.552 176.094 -0.228 0.000 1.277 216 V CA -0.016 62.193 62.300 -0.152 0.000 1.096 216 V CB -0.026 31.455 31.823 -0.571 0.000 0.828 216 V HN 0.793 nan 8.190 nan 0.000 0.446 217 N N 1.870 120.504 118.700 -0.109 0.000 2.407 217 N HA 0.180 4.956 4.740 0.060 0.000 0.277 217 N C 1.119 176.588 175.510 -0.069 0.000 0.995 217 N CA 0.340 53.328 53.050 -0.104 0.000 0.903 217 N CB 2.235 40.669 38.487 -0.089 0.000 1.218 217 N HN 0.629 nan 8.380 nan 0.000 0.487 218 E N 2.733 122.895 120.200 -0.065 0.000 2.219 218 E HA -0.182 4.204 4.350 0.060 0.000 0.198 218 E C 0.188 176.754 176.600 -0.058 0.000 0.998 218 E CA 1.233 57.603 56.400 -0.051 0.000 0.818 218 E CB 0.119 29.796 29.700 -0.038 0.000 0.741 218 E HN 0.325 nan 8.360 nan 0.000 0.477 219 K N 0.359 120.717 120.400 -0.070 0.000 2.374 219 K HA 0.311 4.667 4.320 0.060 0.000 0.196 219 K C 0.363 176.903 176.600 -0.100 0.000 1.023 219 K CA 0.448 56.681 56.287 -0.089 0.000 1.103 219 K CB 0.910 33.346 32.500 -0.107 0.000 0.848 219 K HN 0.206 nan 8.250 nan 0.000 0.528 220 A N 1.258 124.032 122.820 -0.077 0.000 2.322 220 A HA 0.370 4.726 4.320 0.060 0.000 0.269 220 A C -0.006 177.542 177.584 -0.060 0.000 1.094 220 A CA -0.219 51.782 52.037 -0.060 0.000 0.807 220 A CB 0.730 19.723 19.000 -0.012 0.000 1.047 220 A HN 0.077 nan 8.150 nan 0.000 0.487 221 S N 0.071 115.733 115.700 -0.064 0.000 2.472 221 S HA 0.389 4.895 4.470 0.060 0.000 0.303 221 S C 0.566 175.114 174.600 -0.087 0.000 1.099 221 S CA -0.655 57.484 58.200 -0.101 0.000 1.077 221 S CB 1.124 64.231 63.200 -0.155 0.000 1.031 221 S HN 0.643 nan 8.310 nan 0.000 0.487 222 K N 2.015 122.354 120.400 -0.101 0.000 2.365 222 K HA 0.068 4.424 4.320 0.060 0.000 0.197 222 K C 0.932 177.444 176.600 -0.147 0.000 1.042 222 K CA 0.681 56.921 56.287 -0.077 0.000 0.987 222 K CB 0.154 32.623 32.500 -0.053 0.000 0.779 222 K HN 0.534 nan 8.250 nan 0.000 0.484 223 E N 0.640 120.655 120.200 -0.309 0.000 2.122 223 E HA 0.029 4.416 4.350 0.060 0.000 0.190 223 E C 0.254 176.436 176.600 -0.697 0.000 0.977 223 E CA 0.391 56.454 56.400 -0.561 0.000 0.820 223 E CB 0.032 29.182 29.700 -0.917 0.000 0.770 223 E HN 0.201 nan 8.360 nan 0.000 0.462 224 A N 1.195 123.652 122.820 -0.606 0.000 2.440 224 A HA 0.325 4.681 4.320 0.060 0.000 0.251 224 A C -0.015 177.535 177.584 -0.058 0.000 1.089 224 A CA -0.014 51.851 52.037 -0.286 0.000 0.779 224 A CB 0.237 19.177 19.000 -0.100 0.000 1.022 224 A HN -0.022 nan 8.150 nan 0.000 0.492 225 K N 0.621 121.020 120.400 -0.003 0.000 2.352 225 K HA 0.731 5.087 4.320 0.060 0.000 0.240 225 K C -1.431 175.365 176.600 0.326 0.000 1.017 225 K CA -0.793 55.598 56.287 0.174 0.000 0.851 225 K CB 2.392 35.030 32.500 0.230 0.000 1.261 225 K HN 0.383 nan 8.250 nan 0.000 0.451 226 V N 1.434 121.677 119.914 0.548 0.000 2.577 226 V HA 0.288 4.444 4.120 0.060 0.000 0.303 226 V C -1.017 175.447 176.094 0.618 0.000 1.042 226 V CA -0.817 61.844 62.300 0.603 0.000 0.872 226 V CB 1.546 33.681 31.823 0.521 0.000 0.998 226 V HN 0.697 nan 8.190 nan 0.000 0.423 227 Q N 3.131 123.255 119.800 0.540 0.000 2.331 227 Q HA 0.789 5.165 4.340 0.060 0.000 0.267 227 Q C -0.662 175.514 176.000 0.294 0.000 1.006 227 Q CA -0.595 55.371 55.803 0.271 0.000 0.818 227 Q CB 2.015 30.669 28.738 -0.140 0.000 1.276 227 Q HN 0.943 nan 8.270 nan 0.000 0.450 228 A N 4.154 127.099 122.820 0.209 0.000 2.274 228 A HA 0.524 4.880 4.320 0.060 0.000 0.309 228 A C -1.170 176.412 177.584 -0.004 0.000 1.226 228 A CA -0.549 51.547 52.037 0.099 0.000 0.853 228 A CB 0.480 19.465 19.000 -0.026 0.000 1.146 228 A HN 0.657 nan 8.150 nan 0.000 0.518 229 L N 2.878 124.022 121.223 -0.132 0.000 2.314 229 L HA 0.383 4.759 4.340 0.060 0.000 0.275 229 L C 0.115 176.680 176.870 -0.508 0.000 1.068 229 L CA 0.625 55.244 54.840 -0.368 0.000 0.894 229 L CB 0.618 42.234 42.059 -0.739 0.000 1.275 229 L HN 0.580 nan 8.230 nan 0.000 0.432 230 S N 1.947 117.447 115.700 -0.333 0.000 2.482 230 S HA 0.452 4.958 4.470 0.060 0.000 0.303 230 S C 0.022 174.361 174.600 -0.435 0.000 1.091 230 S CA -0.813 57.098 58.200 -0.481 0.000 1.057 230 S CB 1.235 64.145 63.200 -0.484 0.000 1.031 230 S HN 0.388 nan 8.310 nan 0.000 0.485 231 N N 2.739 121.117 118.700 -0.537 0.000 2.605 231 N HA 0.065 4.842 4.740 0.060 0.000 0.258 231 N C 1.192 176.375 175.510 -0.545 0.000 1.156 231 N CA 0.044 52.815 53.050 -0.467 0.000 1.008 231 N CB 0.984 39.239 38.487 -0.386 0.000 1.354 231 N HN 0.781 nan 8.380 nan 0.000 0.509 232 T N -1.918 112.347 114.554 -0.482 0.000 3.023 232 T HA 0.064 4.450 4.350 0.060 0.000 0.266 232 T C 0.659 175.275 174.700 -0.139 0.000 1.093 232 T CA 0.531 62.480 62.100 -0.251 0.000 1.129 232 T CB 0.275 69.169 68.868 0.043 0.000 0.899 232 T HN 0.138 nan 8.240 nan 0.000 0.491 233 N N 1.344 119.912 118.700 -0.220 0.000 2.432 233 N HA 0.455 5.231 4.740 0.060 0.000 0.292 233 N C -0.687 174.625 175.510 -0.330 0.000 1.193 233 N CA -0.582 52.357 53.050 -0.185 0.000 0.878 233 N CB 1.690 40.137 38.487 -0.067 0.000 1.252 233 N HN 0.218 nan 8.380 nan 0.000 0.520 234 S N -0.176 115.273 115.700 -0.419 0.000 2.554 234 S HA -0.066 4.440 4.470 0.060 0.000 0.290 234 S C 0.803 175.026 174.600 -0.629 0.000 1.309 234 S CA 0.297 58.206 58.200 -0.486 0.000 1.047 234 S CB 0.184 63.116 63.200 -0.447 0.000 0.828 234 S HN 0.558 nan 8.310 nan 0.000 0.509 235 K N 2.762 122.973 120.400 -0.316 0.000 2.358 235 K HA 0.410 4.766 4.320 0.060 0.000 0.200 235 K C 0.566 177.160 176.600 -0.010 0.000 1.030 235 K CA 0.075 56.267 56.287 -0.158 0.000 1.097 235 K CB 0.047 32.478 32.500 -0.115 0.000 0.862 235 K HN 0.553 nan 8.250 nan 0.000 0.534 236 A N 2.417 125.229 122.820 -0.013 0.000 2.584 236 A HA -0.076 4.280 4.320 0.060 0.000 0.239 236 A C 1.317 179.019 177.584 0.198 0.000 1.043 236 A CA 0.106 52.191 52.037 0.080 0.000 0.756 236 A CB 0.332 19.370 19.000 0.064 0.000 0.963 236 A HN 0.280 nan 8.150 nan 0.000 0.511 237 K N 1.369 121.829 120.400 0.101 0.000 2.052 237 K HA -0.215 4.141 4.320 0.060 0.000 0.215 237 K C 0.727 177.351 176.600 0.040 0.000 1.053 237 K CA 2.616 58.943 56.287 0.066 0.000 0.934 237 K CB -0.142 32.378 32.500 0.034 0.000 0.717 237 K HN 0.787 nan 8.250 nan 0.000 0.450 238 D N 0.333 120.763 120.400 0.050 0.000 2.894 238 D HA 0.012 4.688 4.640 0.060 0.000 0.273 238 D C -0.766 175.549 176.300 0.025 0.000 1.328 238 D CA -0.348 53.655 54.000 0.005 0.000 0.845 238 D CB -0.187 40.627 40.800 0.023 0.000 1.072 238 D HN 0.398 nan 8.370 nan 0.000 0.484 239 H N -0.909 118.175 119.070 0.024 0.000 2.629 239 H HA 0.586 5.178 4.556 0.060 0.000 0.357 239 H C -0.423 174.930 175.328 0.041 0.000 1.121 239 H CA -0.826 55.246 56.048 0.040 0.000 1.406 239 H CB 1.012 30.790 29.762 0.027 0.000 1.456 239 H HN 0.037 nan 8.280 nan 0.000 0.579 240 A N 2.397 125.297 122.820 0.134 0.000 2.322 240 A HA 0.179 4.535 4.320 0.060 0.000 0.269 240 A C 1.340 179.023 177.584 0.165 0.000 1.094 240 A CA -0.111 51.974 52.037 0.079 0.000 0.807 240 A CB 0.224 19.333 19.000 0.182 0.000 1.047 240 A HN 0.896 nan 8.150 nan 0.000 0.487 241 S N 0.555 116.301 115.700 0.077 0.000 2.555 241 S HA -0.065 4.441 4.470 0.060 0.000 0.230 241 S C 1.164 175.866 174.600 0.170 0.000 0.978 241 S CA 1.081 59.352 58.200 0.119 0.000 0.934 241 S CB -0.760 62.453 63.200 0.022 0.000 0.766 241 S HN 1.503 nan 8.310 nan 0.000 0.533 242 V N -2.636 117.412 119.914 0.224 0.000 3.590 242 V HA 0.684 4.840 4.120 0.060 0.000 0.265 242 V C 1.195 177.535 176.094 0.410 0.000 1.239 242 V CA 0.298 62.785 62.300 0.312 0.000 1.117 242 V CB -0.806 31.224 31.823 0.345 0.000 0.818 242 V HN 0.783 nan 8.190 nan 0.000 0.451 243 G N -0.656 108.336 108.800 0.320 0.000 2.250 243 G HA2 0.476 4.472 3.960 0.060 0.000 0.189 243 G HA3 0.476 4.472 3.960 0.060 0.000 0.189 243 G C 0.001 174.977 174.900 0.127 0.000 1.298 243 G CA -0.256 44.935 45.100 0.151 0.000 1.246 243 G HN 1.832 nan 8.290 nan 0.000 0.513 244 G N -1.701 106.989 108.800 -0.185 0.000 2.322 244 G HA2 0.515 4.511 3.960 0.060 0.000 0.295 244 G HA3 0.515 4.511 3.960 0.060 0.000 0.295 244 G C -1.145 173.732 174.900 -0.037 0.000 1.369 244 G CA 0.162 45.283 45.100 0.035 0.000 0.821 244 G HN 0.704 nan 8.290 nan 0.000 0.536 245 E N 1.258 121.551 120.200 0.155 0.000 2.392 245 E HA 0.183 4.569 4.350 0.060 0.000 0.307 245 E C 0.062 176.745 176.600 0.139 0.000 1.505 245 E CA 0.188 56.709 56.400 0.200 0.000 1.716 245 E CB -0.041 29.787 29.700 0.212 0.000 1.450 245 E HN 0.649 nan 8.360 nan 0.000 0.484 246 E N -0.761 119.491 120.200 0.087 0.000 2.343 246 E HA 0.167 4.553 4.350 0.060 0.000 0.278 246 E C -0.145 176.495 176.600 0.067 0.000 0.910 246 E CA -0.752 55.692 56.400 0.074 0.000 0.757 246 E CB 0.644 30.366 29.700 0.036 0.000 1.218 246 E HN -0.080 nan 8.360 nan 0.000 0.435 247 F N 2.852 122.735 119.950 -0.113 0.000 2.098 247 F HA 0.184 4.747 4.527 0.060 0.000 0.294 247 F C 0.567 176.314 175.800 -0.089 0.000 1.107 247 F CA 0.992 58.867 58.000 -0.209 0.000 1.234 247 F CB -0.049 38.797 39.000 -0.256 0.000 1.002 247 F HN 0.390 nan 8.300 nan 0.000 0.472 248 K N 1.342 121.591 120.400 -0.252 0.000 2.447 248 K HA 0.423 4.779 4.320 0.060 0.000 0.281 248 K C -0.562 175.862 176.600 -0.294 0.000 1.031 248 K CA 0.509 56.569 56.287 -0.378 0.000 1.019 248 K CB 0.060 32.412 32.500 -0.247 0.000 0.918 248 K HN 0.346 nan 8.250 nan 0.000 0.476 249 A N 3.098 125.671 122.820 -0.411 0.000 2.583 249 A HA 0.144 4.500 4.320 0.060 0.000 0.292 249 A C -1.871 175.346 177.584 -0.611 0.000 1.045 249 A CA -0.832 50.968 52.037 -0.395 0.000 0.672 249 A CB 0.361 19.168 19.000 -0.323 0.000 1.283 249 A HN 0.740 nan 8.150 nan 0.000 0.419 250 Y N 1.928 121.878 120.300 -0.584 0.000 2.532 250 Y HA 0.402 4.989 4.550 0.061 0.000 0.337 250 Y C 0.911 176.512 175.900 -0.499 0.000 1.274 250 Y CA 0.434 58.142 58.100 -0.653 0.000 1.817 250 Y CB -0.135 38.117 38.460 -0.345 0.000 1.769 250 Y HN 0.813 nan 8.280 nan 0.000 0.447 251 A N 6.436 128.707 122.820 -0.914 0.000 3.126 251 A HA 0.124 4.480 4.320 0.060 0.000 0.268 251 A C -0.506 176.969 177.584 -0.181 0.000 1.605 251 A CA -0.516 51.199 52.037 -0.536 0.000 1.305 251 A CB -1.188 17.215 19.000 -0.994 0.000 1.160 251 A HN 0.711 nan 8.150 nan 0.000 0.609 252 F N 2.503 122.145 119.950 -0.515 0.000 2.608 252 F HA 0.210 4.774 4.527 0.061 0.000 0.380 252 F C 0.656 176.201 175.800 -0.425 0.000 1.083 252 F CA 0.743 58.385 58.000 -0.597 0.000 1.266 252 F CB 0.838 39.190 39.000 -1.080 0.000 1.076 252 F HN 0.604 nan 8.300 nan 0.000 0.574 253 D N 3.086 122.778 120.400 -1.181 0.000 2.602 253 D HA -0.013 4.664 4.640 0.060 0.000 0.265 253 D C -0.443 175.195 176.300 -1.103 0.000 1.454 253 D CA 0.001 53.519 54.000 -0.803 0.000 0.795 253 D CB -1.256 39.404 40.800 -0.234 0.000 1.140 253 D HN 0.440 nan 8.370 nan 0.000 0.486 254 Y N 0.392 119.534 120.300 -1.929 0.000 2.811 254 Y HA 0.286 4.872 4.550 0.060 0.000 0.330 254 Y C 0.540 176.003 175.900 -0.729 0.000 1.081 254 Y CA -1.098 56.240 58.100 -1.269 0.000 1.408 254 Y CB -0.500 36.986 38.460 -1.624 0.000 1.235 254 Y HN -0.007 nan 8.280 nan 0.000 0.529 255 W N 0.220 121.426 121.300 -0.156 0.000 2.350 255 W HA -0.264 4.432 4.660 0.060 0.000 0.289 255 W C 2.357 178.920 176.519 0.073 0.000 1.215 255 W CA 1.284 58.732 57.345 0.172 0.000 1.236 255 W CB -0.285 29.250 29.460 0.126 0.000 1.130 255 W HN 0.268 nan 8.180 nan 0.000 0.541 256 Q N -0.091 119.750 119.800 0.068 0.000 2.364 256 Q HA -0.215 4.161 4.340 0.060 0.000 0.209 256 Q C 0.871 176.733 176.000 -0.231 0.000 0.977 256 Q CA 1.504 57.211 55.803 -0.161 0.000 0.885 256 Q CB -1.095 27.396 28.738 -0.412 0.000 0.941 256 Q HN 0.439 nan 8.270 nan 0.000 0.464 257 Y N 0.346 120.807 120.300 0.268 0.000 2.458 257 Y HA 0.395 4.981 4.550 0.059 0.000 0.256 257 Y C 0.679 176.810 175.900 0.385 0.000 1.159 257 Y CA -0.397 57.900 58.100 0.327 0.000 1.261 257 Y CB 0.675 39.390 38.460 0.425 0.000 1.119 257 Y HN -0.063 nan 8.280 nan 0.000 0.524 258 L N 0.255 121.766 121.223 0.480 0.000 2.309 258 L HA 0.229 4.605 4.340 0.060 0.000 0.282 258 L C 0.893 177.997 176.870 0.390 0.000 1.036 258 L CA -0.235 54.885 54.840 0.467 0.000 0.806 258 L CB 1.678 44.018 42.059 0.469 0.000 1.220 258 L HN 0.034 nan 8.230 nan 0.000 0.429 259 D N 1.267 121.906 120.400 0.398 0.000 2.123 259 D HA -0.089 4.587 4.640 0.060 0.000 0.200 259 D C 0.252 176.733 176.300 0.302 0.000 0.976 259 D CA 1.007 55.227 54.000 0.367 0.000 0.831 259 D CB 0.512 41.604 40.800 0.486 0.000 0.974 259 D HN 0.579 nan 8.370 nan 0.000 0.469 260 S N -1.640 114.230 115.700 0.284 0.000 2.578 260 S HA 0.436 4.942 4.470 0.060 0.000 0.272 260 S C -1.128 173.570 174.600 0.163 0.000 1.145 260 S CA -1.170 57.119 58.200 0.149 0.000 0.835 260 S CB 1.277 64.533 63.200 0.094 0.000 1.104 260 S HN 0.150 nan 8.310 nan 0.000 0.458 261 M N 2.154 121.810 119.600 0.093 0.000 2.253 261 M HA 0.714 5.230 4.480 0.060 0.000 0.314 261 M C -2.014 174.363 176.300 0.129 0.000 1.019 261 M CA -0.464 54.915 55.300 0.132 0.000 0.932 261 M CB 1.774 34.527 32.600 0.256 0.000 1.606 261 M HN 0.601 nan 8.290 nan 0.000 0.430 262 V N 6.013 126.031 119.914 0.175 0.000 2.370 262 V HA 0.346 4.502 4.120 0.060 0.000 0.283 262 V C -0.728 175.511 176.094 0.242 0.000 1.023 262 V CA -0.470 61.997 62.300 0.278 0.000 0.857 262 V CB 0.965 32.938 31.823 0.248 0.000 0.985 262 V HN 0.805 nan 8.190 nan 0.000 0.443 263 F N 5.493 125.518 119.950 0.124 0.000 2.494 263 F HA 0.130 4.693 4.527 0.060 0.000 0.351 263 F C 0.956 176.822 175.800 0.109 0.000 1.205 263 F CA 0.107 58.149 58.000 0.071 0.000 1.125 263 F CB 0.143 39.142 39.000 -0.001 0.000 1.268 263 F HN 0.762 nan 8.300 nan 0.000 0.593 264 W N 5.898 126.979 121.300 -0.365 0.000 2.467 264 W HA -0.121 4.575 4.660 0.060 0.000 0.275 264 W C 1.547 177.865 176.519 -0.335 0.000 1.239 264 W CA 1.229 58.378 57.345 -0.327 0.000 1.266 264 W CB 0.347 29.565 29.460 -0.402 0.000 1.112 264 W HN 0.628 nan 8.180 nan 0.000 0.576 265 E N 0.397 120.277 120.200 -0.533 0.000 2.481 265 E HA 0.205 4.591 4.350 0.060 0.000 0.195 265 E C 0.844 177.341 176.600 -0.170 0.000 1.047 265 E CA 0.964 57.108 56.400 -0.426 0.000 0.867 265 E CB 0.135 29.562 29.700 -0.454 0.000 0.858 265 E HN 0.148 nan 8.360 nan 0.000 0.513 266 G N 0.272 109.117 108.800 0.074 0.000 2.488 266 G HA2 0.280 4.276 3.960 0.060 0.000 0.301 266 G HA3 0.280 4.276 3.960 0.060 0.000 0.301 266 G C -0.447 174.629 174.900 0.293 0.000 1.339 266 G CA -0.473 44.758 45.100 0.220 0.000 0.803 266 G HN 0.027 nan 8.290 nan 0.000 0.482 267 L N -0.450 120.906 121.223 0.222 0.000 2.156 267 L HA 0.318 4.694 4.340 0.060 0.000 0.208 267 L C 0.794 177.782 176.870 0.197 0.000 1.095 267 L CA 1.398 56.416 54.840 0.295 0.000 0.770 267 L CB 0.117 42.373 42.059 0.329 0.000 0.914 267 L HN 0.267 nan 8.230 nan 0.000 0.439 268 V N 1.020 120.893 119.914 -0.067 0.000 2.350 268 V HA 0.365 4.521 4.120 0.060 0.000 0.285 268 V C -2.243 173.308 176.094 -0.905 0.000 1.014 268 V CA -1.721 60.311 62.300 -0.446 0.000 0.831 268 V CB 0.970 32.642 31.823 -0.250 0.000 1.000 268 V HN 0.051 nan 8.190 nan 0.000 0.433 269 P HA 0.147 nan 4.420 nan 0.000 0.267 269 P C 0.298 177.007 177.300 -0.984 0.000 1.200 269 P CA 0.124 62.249 63.100 -1.625 0.000 0.772 269 P CB 0.305 31.483 31.700 -0.871 0.000 0.855 270 T N 0.399 114.465 114.554 -0.813 0.000 2.868 270 T HA 0.198 4.584 4.350 0.060 0.000 0.292 270 T C -1.577 173.050 174.700 -0.123 0.000 1.028 270 T CA -1.554 60.383 62.100 -0.271 0.000 1.059 270 T CB 0.186 69.046 68.868 -0.013 0.000 0.991 270 T HN 0.282 nan 8.240 nan 0.000 0.531 271 P HA -0.104 nan 4.420 nan 0.000 0.220 271 P C 0.929 178.265 177.300 0.061 0.000 1.148 271 P CA 1.124 64.236 63.100 0.021 0.000 0.803 271 P CB 0.032 31.771 31.700 0.064 0.000 0.782 272 D N 0.095 120.561 120.400 0.111 0.000 2.144 272 D HA -0.101 4.575 4.640 0.060 0.000 0.200 272 D C 1.883 178.274 176.300 0.152 0.000 0.978 272 D CA 0.817 54.914 54.000 0.162 0.000 0.833 272 D CB -1.401 39.528 40.800 0.215 0.000 0.961 272 D HN 0.073 nan 8.370 nan 0.000 0.470 273 V N 0.942 120.945 119.914 0.148 0.000 2.323 273 V HA -0.125 4.031 4.120 0.060 0.000 0.244 273 V C 2.734 178.861 176.094 0.055 0.000 1.041 273 V CA 0.954 63.369 62.300 0.192 0.000 1.025 273 V CB -0.427 31.564 31.823 0.280 0.000 0.656 273 V HN 0.154 nan 8.190 nan 0.000 0.451 274 I N 0.390 120.926 120.570 -0.057 0.000 2.163 274 I HA -0.244 3.962 4.170 0.060 0.000 0.243 274 I C 2.315 178.273 176.117 -0.264 0.000 1.085 274 I CA 1.729 62.893 61.300 -0.227 0.000 1.347 274 I CB -0.536 37.329 38.000 -0.225 0.000 1.044 274 I HN 0.312 nan 8.210 nan 0.000 0.408 275 D N 1.115 121.453 120.400 -0.103 0.000 2.097 275 D HA -0.139 4.537 4.640 0.060 0.000 0.195 275 D C 2.269 178.527 176.300 -0.071 0.000 0.989 275 D CA 1.613 55.590 54.000 -0.038 0.000 0.827 275 D CB -0.295 40.530 40.800 0.041 0.000 0.966 275 D HN 0.336 nan 8.370 nan 0.000 0.456 276 A N 0.824 123.602 122.820 -0.070 0.000 1.865 276 A HA -0.080 4.276 4.320 0.060 0.000 0.217 276 A C 2.398 179.583 177.584 -0.664 0.000 1.191 276 A CA 2.377 54.318 52.037 -0.160 0.000 0.623 276 A CB -1.231 17.849 19.000 0.133 0.000 0.826 276 A HN 0.314 nan 8.150 nan 0.000 0.444 277 G N -1.523 106.819 108.800 -0.764 0.000 2.421 277 G HA2 -0.240 3.756 3.960 0.060 0.000 0.216 277 G HA3 -0.240 3.756 3.960 0.060 0.000 0.216 277 G C 1.489 176.130 174.900 -0.432 0.000 1.171 277 G CA 1.126 45.596 45.100 -1.050 0.000 0.775 277 G HN 0.779 nan 8.290 nan 0.000 0.543 278 H N -0.330 118.558 119.070 -0.304 0.000 2.357 278 H HA -0.013 4.579 4.556 0.060 0.000 0.301 278 H C 2.771 178.007 175.328 -0.154 0.000 1.082 278 H CA 0.913 56.864 56.048 -0.161 0.000 1.342 278 H CB 0.153 29.875 29.762 -0.067 0.000 1.389 278 H HN 0.233 nan 8.280 nan 0.000 0.511 279 R N 1.007 121.478 120.500 -0.049 0.000 2.117 279 R HA -0.121 4.255 4.340 0.060 0.000 0.243 279 R C 1.332 177.574 176.300 -0.096 0.000 1.143 279 R CA 1.493 57.556 56.100 -0.062 0.000 0.968 279 R CB 0.019 30.284 30.300 -0.058 0.000 0.863 279 R HN 0.362 nan 8.270 nan 0.000 0.444 280 N N -0.419 118.138 118.700 -0.239 0.000 2.383 280 N HA 0.010 4.786 4.740 0.060 0.000 0.192 280 N C 0.374 175.838 175.510 -0.077 0.000 1.141 280 N CA 0.925 53.861 53.050 -0.190 0.000 0.851 280 N CB 0.955 39.163 38.487 -0.465 0.000 0.976 280 N HN 0.494 nan 8.380 nan 0.000 0.465 281 G N 0.730 109.484 108.800 -0.076 0.000 2.198 281 G HA2 -0.253 3.743 3.960 0.060 0.000 0.260 281 G HA3 -0.253 3.743 3.960 0.060 0.000 0.260 281 G C -0.131 174.779 174.900 0.017 0.000 1.025 281 G CA 0.067 45.150 45.100 -0.029 0.000 0.769 281 G HN 0.182 nan 8.290 nan 0.000 0.507 282 V N 2.153 122.076 119.914 0.014 0.000 2.370 282 V HA 0.487 4.643 4.120 0.060 0.000 0.283 282 V C -1.477 174.676 176.094 0.098 0.000 1.023 282 V CA -1.748 60.621 62.300 0.116 0.000 0.857 282 V CB 1.871 33.888 31.823 0.323 0.000 0.985 282 V HN 0.186 nan 8.190 nan 0.000 0.443 283 P HA 0.199 nan 4.420 nan 0.000 0.271 283 P C -0.815 176.372 177.300 -0.189 0.000 1.218 283 P CA -0.017 63.075 63.100 -0.013 0.000 0.780 283 P CB 1.141 32.804 31.700 -0.060 0.000 0.901 284 V N 3.853 123.696 119.914 -0.119 0.000 2.444 284 V HA 0.307 4.463 4.120 0.060 0.000 0.294 284 V C -0.638 175.424 176.094 -0.053 0.000 1.022 284 V CA -0.438 61.791 62.300 -0.117 0.000 0.850 284 V CB 0.856 32.679 31.823 -0.001 0.000 0.992 284 V HN 0.360 nan 8.190 nan 0.000 0.426 285 Y N 2.152 122.574 120.300 0.203 0.000 2.409 285 Y HA 0.760 5.346 4.550 0.061 0.000 0.339 285 Y C 0.856 176.828 175.900 0.120 0.000 1.033 285 Y CA -1.075 57.125 58.100 0.167 0.000 1.094 285 Y CB 1.610 40.219 38.460 0.249 0.000 1.210 285 Y HN 0.705 nan 8.280 nan 0.000 0.456 286 G N 0.397 109.285 108.800 0.147 0.000 2.562 286 G HA2 0.488 4.485 3.960 0.060 0.000 0.275 286 G HA3 0.488 4.485 3.960 0.060 0.000 0.275 286 G C -0.836 174.354 174.900 0.482 0.000 1.196 286 G CA -0.567 44.643 45.100 0.183 0.000 0.908 286 G HN 0.493 nan 8.290 nan 0.000 0.524 287 T N 0.552 115.358 114.554 0.422 0.000 2.779 287 T HA 0.375 4.761 4.350 0.060 0.000 0.280 287 T C -0.671 174.195 174.700 0.276 0.000 0.987 287 T CA -0.269 62.031 62.100 0.334 0.000 0.966 287 T CB 1.502 70.352 68.868 -0.031 0.000 0.933 287 T HN 0.384 nan 8.240 nan 0.000 0.442 288 L N 5.162 126.566 121.223 0.300 0.000 2.277 288 L HA 0.666 5.042 4.340 0.060 0.000 0.284 288 L C -1.376 175.496 176.870 0.003 0.000 1.028 288 L CA -0.751 54.157 54.840 0.113 0.000 0.835 288 L CB 0.028 42.175 42.059 0.146 0.000 1.215 288 L HN 0.570 nan 8.230 nan 0.000 0.425 289 F N 6.006 125.758 119.950 -0.330 0.000 2.426 289 F HA 0.614 5.178 4.527 0.060 0.000 0.348 289 F C -1.460 174.095 175.800 -0.408 0.000 1.124 289 F CA -1.317 56.491 58.000 -0.320 0.000 1.008 289 F CB 0.860 39.640 39.000 -0.367 0.000 1.139 289 F HN 0.300 nan 8.300 nan 0.000 0.452 290 F N 4.633 124.296 119.950 -0.479 0.000 2.415 290 F HA 0.354 4.917 4.527 0.060 0.000 0.348 290 F C 0.598 175.846 175.800 -0.920 0.000 1.119 290 F CA -0.902 56.766 58.000 -0.554 0.000 1.069 290 F CB 0.667 39.510 39.000 -0.263 0.000 1.124 290 F HN 0.385 nan 8.300 nan 0.000 0.472 291 N N 1.852 120.120 118.700 -0.721 0.000 2.353 291 N HA -0.175 4.601 4.740 0.060 0.000 0.248 291 N C -0.673 174.758 175.510 -0.132 0.000 1.240 291 N CA -0.076 52.647 53.050 -0.545 0.000 0.862 291 N CB 0.361 38.708 38.487 -0.233 0.000 1.086 291 N HN 0.714 nan 8.380 nan 0.000 0.453 292 W N 2.845 124.107 121.300 -0.063 0.000 2.666 292 W HA 0.220 4.917 4.660 0.060 0.000 0.365 292 W C 0.194 176.703 176.519 -0.015 0.000 1.224 292 W CA 0.412 57.761 57.345 0.007 0.000 1.515 292 W CB 0.034 29.551 29.460 0.095 0.000 1.562 292 W HN 0.315 nan 8.180 nan 0.000 0.455 293 S N 3.922 119.454 115.700 -0.280 0.000 2.586 293 S HA 0.155 4.661 4.470 0.060 0.000 0.277 293 S C -0.337 174.097 174.600 -0.277 0.000 1.131 293 S CA -0.663 57.421 58.200 -0.193 0.000 0.848 293 S CB 0.534 63.698 63.200 -0.060 0.000 1.091 293 S HN 0.572 nan 8.310 nan 0.000 0.453 294 N N 1.134 119.710 118.700 -0.205 0.000 2.238 294 N HA 0.148 4.924 4.740 0.060 0.000 0.235 294 N C 0.010 175.470 175.510 -0.084 0.000 1.209 294 N CA 0.183 53.138 53.050 -0.158 0.000 0.879 294 N CB 0.332 38.719 38.487 -0.167 0.000 1.136 294 N HN 0.576 nan 8.380 nan 0.000 0.517 295 S N 0.215 115.880 115.700 -0.058 0.000 2.568 295 S HA 0.135 4.641 4.470 0.060 0.000 0.282 295 S C 1.549 176.138 174.600 -0.018 0.000 1.338 295 S CA -0.677 57.507 58.200 -0.026 0.000 1.045 295 S CB 0.551 63.744 63.200 -0.011 0.000 0.873 295 S HN 0.072 nan 8.310 nan 0.000 0.516 296 I N 2.374 122.939 120.570 -0.008 0.000 2.208 296 I HA -0.203 4.003 4.170 0.060 0.000 0.245 296 I C 2.852 178.978 176.117 0.015 0.000 1.097 296 I CA 1.791 63.093 61.300 0.002 0.000 1.363 296 I CB -2.327 35.675 38.000 0.002 0.000 1.051 296 I HN 0.904 nan 8.210 nan 0.000 0.413 297 A N 0.812 123.641 122.820 0.014 0.000 1.892 297 A HA -0.254 4.102 4.320 0.060 0.000 0.218 297 A C 2.048 179.654 177.584 0.037 0.000 1.188 297 A CA 2.258 54.308 52.037 0.022 0.000 0.631 297 A CB -0.657 18.350 19.000 0.011 0.000 0.822 297 A HN 0.381 nan 8.150 nan 0.000 0.447 298 D N -0.672 119.742 120.400 0.024 0.000 2.117 298 D HA -0.115 4.561 4.640 0.060 0.000 0.198 298 D C 2.280 178.628 176.300 0.080 0.000 0.982 298 D CA 1.367 55.391 54.000 0.039 0.000 0.828 298 D CB -0.439 40.353 40.800 -0.012 0.000 0.967 298 D HN 0.641 nan 8.370 nan 0.000 0.464 299 Q N 0.452 120.278 119.800 0.044 0.000 2.124 299 Q HA -0.142 4.234 4.340 0.060 0.000 0.202 299 Q C 1.960 178.032 176.000 0.121 0.000 0.977 299 Q CA 0.804 56.652 55.803 0.074 0.000 0.850 299 Q CB 0.017 28.771 28.738 0.027 0.000 0.901 299 Q HN 0.285 nan 8.270 nan 0.000 0.429 300 E N 0.795 121.049 120.200 0.089 0.000 2.077 300 E HA -0.178 4.209 4.350 0.060 0.000 0.193 300 E C 1.902 178.598 176.600 0.159 0.000 0.989 300 E CA 0.768 57.223 56.400 0.092 0.000 0.800 300 E CB -0.208 29.532 29.700 0.068 0.000 0.746 300 E HN 0.283 nan 8.360 nan 0.000 0.452 301 R N -0.132 120.494 120.500 0.209 0.000 2.091 301 R HA -0.178 4.198 4.340 0.060 0.000 0.238 301 R C 2.330 178.969 176.300 0.564 0.000 1.136 301 R CA 1.387 57.704 56.100 0.362 0.000 0.959 301 R CB -0.374 30.071 30.300 0.242 0.000 0.856 301 R HN 0.125 nan 8.270 nan 0.000 0.437 302 F N 0.950 121.016 119.950 0.193 0.000 2.075 302 F HA -0.095 4.468 4.527 0.060 0.000 0.297 302 F C 2.167 177.886 175.800 -0.134 0.000 1.113 302 F CA 1.525 59.437 58.000 -0.147 0.000 1.218 302 F CB -0.819 37.923 39.000 -0.429 0.000 0.984 302 F HN 0.099 nan 8.300 nan 0.000 0.472 303 A N -0.018 122.661 122.820 -0.236 0.000 1.917 303 A HA -0.300 4.056 4.320 0.060 0.000 0.219 303 A C 2.263 179.706 177.584 -0.234 0.000 1.182 303 A CA 2.007 53.859 52.037 -0.308 0.000 0.633 303 A CB -1.191 17.745 19.000 -0.107 0.000 0.819 303 A HN 0.640 nan 8.150 nan 0.000 0.448 304 E N -0.136 120.021 120.200 -0.071 0.000 2.110 304 E HA -0.126 4.260 4.350 0.060 0.000 0.193 304 E C 2.063 178.513 176.600 -0.250 0.000 0.988 304 E CA 1.034 57.418 56.400 -0.027 0.000 0.804 304 E CB -0.287 29.545 29.700 0.220 0.000 0.745 304 E HN 0.545 nan 8.360 nan 0.000 0.458 305 A N 0.911 123.476 122.820 -0.426 0.000 2.019 305 A HA -0.103 4.253 4.320 0.060 0.000 0.219 305 A C 1.940 179.309 177.584 -0.359 0.000 1.164 305 A CA 0.992 52.593 52.037 -0.728 0.000 0.644 305 A CB -0.378 18.299 19.000 -0.538 0.000 0.805 305 A HN 0.334 nan 8.150 nan 0.000 0.449 306 L N -0.635 120.392 121.223 -0.326 0.000 2.685 306 L HA 0.147 4.523 4.340 0.060 0.000 0.233 306 L C 0.761 177.711 176.870 0.134 0.000 1.173 306 L CA -0.292 54.539 54.840 -0.016 0.000 0.961 306 L CB -0.406 41.504 42.059 -0.248 0.000 1.217 306 L HN 0.261 nan 8.230 nan 0.000 0.478 307 K N 1.810 122.202 120.400 -0.014 0.000 2.448 307 K HA 0.080 4.436 4.320 0.060 0.000 0.278 307 K C -0.288 176.213 176.600 -0.166 0.000 1.009 307 K CA 0.272 56.510 56.287 -0.082 0.000 0.995 307 K CB 0.549 32.996 32.500 -0.089 0.000 0.917 307 K HN 0.172 nan 8.250 nan 0.000 0.481 308 Q N 2.587 122.203 119.800 -0.307 0.000 2.306 308 Q HA 0.207 4.583 4.340 0.060 0.000 0.265 308 Q C -0.917 174.882 176.000 -0.335 0.000 1.022 308 Q CA -1.067 54.430 55.803 -0.511 0.000 0.853 308 Q CB 1.744 30.076 28.738 -0.676 0.000 1.327 308 Q HN 0.628 nan 8.270 nan 0.000 0.449 309 D N 0.322 120.517 120.400 -0.342 0.000 2.384 309 D HA 0.094 4.770 4.640 0.060 0.000 0.244 309 D C 0.956 177.127 176.300 -0.216 0.000 1.251 309 D CA 0.208 54.070 54.000 -0.231 0.000 0.961 309 D CB 0.765 41.441 40.800 -0.206 0.000 1.116 309 D HN 0.697 nan 8.370 nan 0.000 0.484 310 A N 1.285 124.015 122.820 -0.150 0.000 1.894 310 A HA -0.307 4.049 4.320 0.060 0.000 0.220 310 A C 1.495 178.997 177.584 -0.136 0.000 1.237 310 A CA 2.857 54.820 52.037 -0.122 0.000 0.660 310 A CB -0.972 17.976 19.000 -0.085 0.000 0.835 310 A HN 0.732 nan 8.150 nan 0.000 0.461 311 D N -2.248 118.068 120.400 -0.140 0.000 2.351 311 D HA 0.243 4.919 4.640 0.060 0.000 0.216 311 D C 1.275 177.465 176.300 -0.183 0.000 0.968 311 D CA 1.396 55.317 54.000 -0.131 0.000 0.899 311 D CB -0.645 40.096 40.800 -0.098 0.000 0.907 311 D HN 1.193 nan 8.370 nan 0.000 0.514 312 G N -0.323 108.305 108.800 -0.287 0.000 2.176 312 G HA2 -0.274 3.722 3.960 0.060 0.000 0.232 312 G HA3 -0.274 3.722 3.960 0.060 0.000 0.232 312 G C 0.406 174.901 174.900 -0.675 0.000 0.986 312 G CA 0.323 45.179 45.100 -0.408 0.000 0.643 312 G HN 0.883 nan 8.290 nan 0.000 0.522 313 S N -0.311 115.003 115.700 -0.644 0.000 2.593 313 S HA 0.678 5.184 4.470 0.060 0.000 0.269 313 S C -0.152 173.837 174.600 -1.019 0.000 1.334 313 S CA -0.317 57.270 58.200 -1.022 0.000 1.015 313 S CB 0.852 63.661 63.200 -0.652 0.000 0.912 313 S HN 0.533 nan 8.310 nan 0.000 0.541 314 F N 2.052 121.397 119.950 -1.008 0.000 2.332 314 F HA 0.402 4.965 4.527 0.060 0.000 0.368 314 F C -1.775 173.830 175.800 -0.325 0.000 1.110 314 F CA -2.123 55.589 58.000 -0.479 0.000 1.087 314 F CB 1.643 40.415 39.000 -0.379 0.000 1.235 314 F HN 0.427 nan 8.300 nan 0.000 0.470 315 P HA -0.198 nan 4.420 nan 0.000 0.216 315 P C 1.859 179.121 177.300 -0.065 0.000 1.150 315 P CA 1.251 64.296 63.100 -0.092 0.000 0.837 315 P CB 0.335 31.986 31.700 -0.082 0.000 0.786 316 I N -0.239 120.299 120.570 -0.053 0.000 2.226 316 I HA -0.204 4.002 4.170 0.060 0.000 0.245 316 I C 2.246 178.325 176.117 -0.064 0.000 1.100 316 I CA 1.658 62.905 61.300 -0.088 0.000 1.374 316 I CB -1.818 36.021 38.000 -0.268 0.000 1.057 316 I HN -0.075 nan 8.210 nan 0.000 0.413 317 A N 0.942 123.642 122.820 -0.199 0.000 1.908 317 A HA -0.231 4.125 4.320 0.060 0.000 0.218 317 A C 2.483 179.987 177.584 -0.133 0.000 1.181 317 A CA 1.504 53.265 52.037 -0.460 0.000 0.627 317 A CB -0.613 17.849 19.000 -0.896 0.000 0.818 317 A HN 0.332 nan 8.150 nan 0.000 0.445 318 R N -0.597 119.829 120.500 -0.124 0.000 2.083 318 R HA -0.133 4.243 4.340 0.060 0.000 0.237 318 R C 2.089 178.382 176.300 -0.011 0.000 1.137 318 R CA 1.523 57.470 56.100 -0.256 0.000 0.951 318 R CB -0.290 29.738 30.300 -0.453 0.000 0.851 318 R HN 0.306 nan 8.270 nan 0.000 0.434 319 K N 0.533 120.925 120.400 -0.014 0.000 2.097 319 K HA -0.112 4.244 4.320 0.060 0.000 0.206 319 K C 2.043 178.616 176.600 -0.046 0.000 1.049 319 K CA 0.919 57.207 56.287 0.002 0.000 0.933 319 K CB -0.332 32.157 32.500 -0.020 0.000 0.717 319 K HN 0.074 nan 8.250 nan 0.000 0.442 320 L N 0.425 121.644 121.223 -0.007 0.000 2.056 320 L HA -0.124 4.252 4.340 0.060 0.000 0.207 320 L C 2.354 179.367 176.870 0.239 0.000 1.078 320 L CA 1.186 56.055 54.840 0.049 0.000 0.749 320 L CB -0.841 41.140 42.059 -0.130 0.000 0.901 320 L HN -0.142 nan 8.230 nan 0.000 0.433 321 V N -0.494 119.544 119.914 0.207 0.000 2.358 321 V HA -0.247 3.909 4.120 0.060 0.000 0.246 321 V C 2.163 178.334 176.094 0.129 0.000 1.047 321 V CA 1.577 64.011 62.300 0.224 0.000 1.035 321 V CB -0.564 31.455 31.823 0.327 0.000 0.658 321 V HN 0.387 nan 8.190 nan 0.000 0.452 322 D N -0.111 120.390 120.400 0.169 0.000 2.117 322 D HA -0.172 4.504 4.640 0.060 0.000 0.197 322 D C 2.204 178.488 176.300 -0.028 0.000 0.987 322 D CA 1.483 55.567 54.000 0.141 0.000 0.829 322 D CB -0.244 40.728 40.800 0.286 0.000 0.961 322 D HN 0.365 nan 8.370 nan 0.000 0.460 323 M N 0.460 119.915 119.600 -0.240 0.000 2.132 323 M HA -0.093 4.423 4.480 0.060 0.000 0.263 323 M C 2.376 178.622 176.300 -0.090 0.000 1.065 323 M CA 1.208 56.383 55.300 -0.209 0.000 1.122 323 M CB -0.238 32.280 32.600 -0.138 0.000 1.365 323 M HN -0.036 nan 8.290 nan 0.000 0.411 324 A N 0.607 123.224 122.820 -0.339 0.000 1.908 324 A HA -0.220 4.136 4.320 0.060 0.000 0.218 324 A C 2.185 179.313 177.584 -0.761 0.000 1.181 324 A CA 2.066 53.532 52.037 -0.951 0.000 0.627 324 A CB -0.667 18.023 19.000 -0.517 0.000 0.818 324 A HN 0.455 nan 8.150 nan 0.000 0.445 325 K N -1.990 118.015 120.400 -0.658 0.000 2.025 325 K HA -0.184 4.172 4.320 0.060 0.000 0.207 325 K C 1.991 178.372 176.600 -0.365 0.000 1.049 325 K CA 1.677 57.445 56.287 -0.864 0.000 0.933 325 K CB -0.394 31.866 32.500 -0.400 0.000 0.714 325 K HN 0.500 nan 8.250 nan 0.000 0.438 326 Y N 0.316 120.457 120.300 -0.264 0.000 2.089 326 Y HA -0.251 4.335 4.550 0.060 0.000 0.282 326 Y C 1.643 177.409 175.900 -0.223 0.000 1.139 326 Y CA 1.804 59.779 58.100 -0.208 0.000 1.123 326 Y CB -0.391 37.990 38.460 -0.130 0.000 0.980 326 Y HN 0.101 nan 8.280 nan 0.000 0.493 327 Y N 0.103 120.447 120.300 0.074 0.000 2.561 327 Y HA 0.195 4.781 4.550 0.060 0.000 0.291 327 Y C 1.848 177.780 175.900 0.053 0.000 1.141 327 Y CA 0.584 58.725 58.100 0.068 0.000 1.303 327 Y CB -0.575 38.081 38.460 0.326 0.000 1.015 327 Y HN 0.273 nan 8.280 nan 0.000 0.547 328 G N 0.055 108.882 108.800 0.045 0.000 2.291 328 G HA2 -0.281 3.715 3.960 0.060 0.000 0.271 328 G HA3 -0.281 3.715 3.960 0.060 0.000 0.271 328 G C -0.371 174.676 174.900 0.246 0.000 1.099 328 G CA 0.148 45.312 45.100 0.105 0.000 0.919 328 G HN 0.561 nan 8.290 nan 0.000 0.496 329 Y N -2.784 117.622 120.300 0.177 0.000 2.686 329 Y HA 0.807 5.393 4.550 0.060 0.000 0.330 329 Y C 0.438 176.519 175.900 0.301 0.000 1.082 329 Y CA -1.121 57.079 58.100 0.167 0.000 1.158 329 Y CB 1.073 39.538 38.460 0.008 0.000 1.333 329 Y HN -0.061 nan 8.280 nan 0.000 0.519 330 D N -0.355 120.290 120.400 0.409 0.000 2.433 330 D HA 0.397 5.073 4.640 0.060 0.000 0.211 330 D C 0.501 177.013 176.300 0.354 0.000 1.114 330 D CA 0.879 55.087 54.000 0.347 0.000 0.837 330 D CB 1.215 42.218 40.800 0.338 0.000 0.984 330 D HN 0.968 nan 8.370 nan 0.000 0.505 331 G N 0.150 109.092 108.800 0.237 0.000 2.302 331 G HA2 0.098 4.094 3.960 0.060 0.000 0.264 331 G HA3 0.098 4.094 3.960 0.060 0.000 0.264 331 G C -2.040 172.668 174.900 -0.320 0.000 1.335 331 G CA -1.012 44.009 45.100 -0.132 0.000 0.982 331 G HN 0.067 nan 8.290 nan 0.000 0.473 332 Y N -1.213 119.050 120.300 -0.062 0.000 2.553 332 Y HA 0.691 5.277 4.550 0.060 0.000 0.347 332 Y C -0.681 175.385 175.900 0.275 0.000 1.019 332 Y CA -0.715 57.530 58.100 0.241 0.000 1.032 332 Y CB 2.378 41.075 38.460 0.395 0.000 1.284 332 Y HN 0.623 nan 8.280 nan 0.000 0.466 333 F N 3.834 124.050 119.950 0.444 0.000 2.411 333 F HA 0.648 5.211 4.527 0.060 0.000 0.352 333 F C -0.939 175.091 175.800 0.383 0.000 1.123 333 F CA -1.083 57.154 58.000 0.396 0.000 1.044 333 F CB 0.435 39.672 39.000 0.396 0.000 1.135 333 F HN 0.296 nan 8.300 nan 0.000 0.461 334 I N 6.159 126.807 120.570 0.131 0.000 2.339 334 I HA 0.225 4.431 4.170 0.060 0.000 0.290 334 I C -0.406 175.694 176.117 -0.029 0.000 0.994 334 I CA -0.395 61.017 61.300 0.187 0.000 1.191 334 I CB 1.267 39.422 38.000 0.258 0.000 1.343 334 I HN 0.599 nan 8.210 nan 0.000 0.458 335 N N 6.051 124.864 118.700 0.189 0.000 2.707 335 N HA 0.102 4.878 4.740 0.060 0.000 0.235 335 N C -0.525 175.036 175.510 0.085 0.000 1.028 335 N CA -0.473 52.672 53.050 0.158 0.000 0.906 335 N CB 0.683 39.357 38.487 0.311 0.000 1.131 335 N HN 0.484 nan 8.380 nan 0.000 0.509 336 Q N 2.793 122.466 119.800 -0.211 0.000 2.673 336 Q HA 0.110 4.486 4.340 0.060 0.000 0.224 336 Q C -0.255 175.586 176.000 -0.265 0.000 1.226 336 Q CA -0.082 55.579 55.803 -0.236 0.000 1.019 336 Q CB 0.566 28.998 28.738 -0.511 0.000 1.312 336 Q HN 0.620 nan 8.270 nan 0.000 0.566 337 E N 0.947 121.073 120.200 -0.123 0.000 2.474 337 E HA 0.093 4.479 4.350 0.060 0.000 0.195 337 E C -0.239 176.200 176.600 -0.268 0.000 1.039 337 E CA 0.094 56.440 56.400 -0.090 0.000 0.881 337 E CB 0.611 30.436 29.700 0.208 0.000 0.970 337 E HN 0.345 nan 8.360 nan 0.000 0.486 338 T N 0.924 115.276 114.554 -0.338 0.000 2.869 338 T HA 0.286 4.672 4.350 0.060 0.000 0.295 338 T C 0.212 174.674 174.700 -0.397 0.000 0.987 338 T CA 0.242 62.129 62.100 -0.356 0.000 1.109 338 T CB 1.727 70.412 68.868 -0.304 0.000 0.932 338 T HN -0.099 nan 8.240 nan 0.000 0.518 339 T N 0.795 115.152 114.554 -0.328 0.000 2.864 339 T HA 0.796 5.182 4.350 0.060 0.000 0.289 339 T C -0.224 174.367 174.700 -0.182 0.000 1.082 339 T CA 0.543 62.484 62.100 -0.265 0.000 1.009 339 T CB 1.281 69.976 68.868 -0.288 0.000 1.234 339 T HN 1.132 nan 8.240 nan 0.000 0.526 340 G N 1.304 110.027 108.800 -0.128 0.000 2.343 340 G HA2 0.033 4.029 3.960 0.060 0.000 0.465 340 G HA3 0.033 4.029 3.960 0.060 0.000 0.465 340 G C -0.165 174.704 174.900 -0.052 0.000 1.282 340 G CA 0.172 45.221 45.100 -0.086 0.000 0.996 340 G HN 0.585 nan 8.290 nan 0.000 0.521 341 D N -0.489 119.888 120.400 -0.038 0.000 2.178 341 D HA -0.061 4.615 4.640 0.060 0.000 0.201 341 D C 2.591 178.880 176.300 -0.018 0.000 0.980 341 D CA 0.923 54.908 54.000 -0.026 0.000 0.842 341 D CB 0.060 40.848 40.800 -0.021 0.000 0.948 341 D HN 0.148 nan 8.370 nan 0.000 0.472 342 L N 0.217 121.434 121.223 -0.010 0.000 2.313 342 L HA -0.035 4.341 4.340 0.060 0.000 0.214 342 L C 2.275 179.167 176.870 0.036 0.000 1.119 342 L CA 0.666 55.510 54.840 0.006 0.000 0.809 342 L CB -0.567 41.500 42.059 0.013 0.000 0.933 342 L HN -0.072 nan 8.230 nan 0.000 0.449 343 V N -1.266 118.670 119.914 0.037 0.000 2.446 343 V HA -0.158 3.998 4.120 0.060 0.000 0.244 343 V C 2.444 178.566 176.094 0.047 0.000 1.039 343 V CA 0.838 63.188 62.300 0.083 0.000 1.045 343 V CB -0.272 31.513 31.823 -0.064 0.000 0.681 343 V HN 0.260 nan 8.190 nan 0.000 0.459 344 K N 0.572 120.964 120.400 -0.013 0.000 2.059 344 K HA -0.180 4.176 4.320 0.060 0.000 0.212 344 K C -0.515 176.035 176.600 -0.082 0.000 1.050 344 K CA 2.221 58.481 56.287 -0.046 0.000 0.927 344 K CB -1.279 31.189 32.500 -0.053 0.000 0.714 344 K HN 0.452 nan 8.250 nan 0.000 0.447 345 P HA 0.008 nan 4.420 nan 0.000 0.245 345 P C -0.013 177.218 177.300 -0.115 0.000 1.212 345 P CA 0.773 63.808 63.100 -0.108 0.000 0.774 345 P CB 0.225 31.879 31.700 -0.076 0.000 0.999 346 L N -1.570 119.620 121.223 -0.054 0.000 2.685 346 L HA 0.271 4.647 4.340 0.060 0.000 0.233 346 L C 2.172 179.031 176.870 -0.018 0.000 1.173 346 L CA 0.019 54.844 54.840 -0.024 0.000 0.961 346 L CB -0.634 41.452 42.059 0.044 0.000 1.217 346 L HN 0.023 nan 8.230 nan 0.000 0.478 347 G N 0.497 109.184 108.800 -0.188 0.000 2.459 347 G HA2 -0.322 3.674 3.960 0.060 0.000 0.217 347 G HA3 -0.322 3.674 3.960 0.060 0.000 0.217 347 G C 1.384 176.094 174.900 -0.317 0.000 1.183 347 G CA 0.767 45.674 45.100 -0.323 0.000 0.776 347 G HN 0.332 nan 8.290 nan 0.000 0.552 348 E N 0.621 120.538 120.200 -0.471 0.000 2.077 348 E HA -0.073 4.313 4.350 0.060 0.000 0.193 348 E C 2.441 179.077 176.600 0.060 0.000 0.989 348 E CA 1.301 57.670 56.400 -0.051 0.000 0.800 348 E CB -0.168 29.522 29.700 -0.016 0.000 0.746 348 E HN 0.456 nan 8.360 nan 0.000 0.452 349 K N -0.709 119.714 120.400 0.038 0.000 2.097 349 K HA -0.113 4.243 4.320 0.060 0.000 0.205 349 K C 2.072 178.700 176.600 0.048 0.000 1.050 349 K CA 1.349 57.714 56.287 0.129 0.000 0.938 349 K CB -0.172 32.393 32.500 0.109 0.000 0.718 349 K HN 0.162 nan 8.250 nan 0.000 0.442 350 M N 1.113 120.739 119.600 0.043 0.000 2.086 350 M HA -0.155 4.361 4.480 0.060 0.000 0.261 350 M C 2.008 178.350 176.300 0.070 0.000 1.067 350 M CA 1.593 56.916 55.300 0.038 0.000 1.116 350 M CB -0.118 32.641 32.600 0.264 0.000 1.348 350 M HN -0.069 nan 8.290 nan 0.000 0.407 351 R N -0.497 120.117 120.500 0.190 0.000 2.083 351 R HA -0.161 4.215 4.340 0.060 0.000 0.237 351 R C 2.090 178.434 176.300 0.072 0.000 1.137 351 R CA 1.740 57.922 56.100 0.136 0.000 0.951 351 R CB -0.306 30.055 30.300 0.102 0.000 0.851 351 R HN 0.498 nan 8.270 nan 0.000 0.434 352 Q N -0.448 119.409 119.800 0.095 0.000 2.167 352 Q HA -0.155 4.222 4.340 0.060 0.000 0.202 352 Q C 1.826 177.826 176.000 -0.000 0.000 0.970 352 Q CA 0.977 56.865 55.803 0.142 0.000 0.855 352 Q CB -0.439 28.469 28.738 0.284 0.000 0.911 352 Q HN 0.309 nan 8.270 nan 0.000 0.438 353 F N 1.142 120.700 119.950 -0.653 0.000 2.120 353 F HA -0.237 4.326 4.527 0.060 0.000 0.300 353 F C 2.104 177.684 175.800 -0.368 0.000 1.095 353 F CA 1.473 58.833 58.000 -1.067 0.000 1.249 353 F CB -0.140 38.200 39.000 -1.101 0.000 0.995 353 F HN 0.005 nan 8.300 nan 0.000 0.480 354 M N -0.483 119.116 119.600 -0.001 0.000 2.099 354 M HA -0.179 4.337 4.480 0.060 0.000 0.262 354 M C 2.236 178.601 176.300 0.109 0.000 1.067 354 M CA 1.613 56.864 55.300 -0.082 0.000 1.124 354 M CB -0.581 31.892 32.600 -0.211 0.000 1.353 354 M HN 0.208 nan 8.290 nan 0.000 0.410 355 L N -1.198 120.083 121.223 0.097 0.000 1.994 355 L HA -0.252 4.124 4.340 0.060 0.000 0.208 355 L C 2.585 179.537 176.870 0.136 0.000 1.071 355 L CA 1.607 56.523 54.840 0.125 0.000 0.745 355 L CB -1.052 41.078 42.059 0.118 0.000 0.892 355 L HN 0.218 nan 8.230 nan 0.000 0.431 356 Y N 0.873 121.215 120.300 0.071 0.000 2.040 356 Y HA -0.373 4.213 4.550 0.060 0.000 0.275 356 Y C 2.821 178.770 175.900 0.082 0.000 1.171 356 Y CA 1.869 60.028 58.100 0.098 0.000 1.123 356 Y CB -0.582 38.003 38.460 0.208 0.000 0.963 356 Y HN 0.092 nan 8.280 nan 0.000 0.493 357 S N 0.314 115.927 115.700 -0.146 0.000 2.381 357 S HA -0.310 4.196 4.470 0.060 0.000 0.230 357 S C 1.914 176.495 174.600 -0.033 0.000 1.052 357 S CA 2.130 60.273 58.200 -0.095 0.000 1.068 357 S CB -0.393 62.949 63.200 0.237 0.000 0.918 357 S HN 0.502 nan 8.310 nan 0.000 0.448 358 K N 0.474 120.904 120.400 0.049 0.000 2.167 358 K HA -0.018 4.338 4.320 0.060 0.000 0.203 358 K C 2.331 178.919 176.600 -0.021 0.000 1.052 358 K CA 0.810 57.124 56.287 0.044 0.000 0.956 358 K CB -0.121 32.442 32.500 0.105 0.000 0.735 358 K HN 0.437 nan 8.250 nan 0.000 0.451 359 E N 0.389 120.558 120.200 -0.053 0.000 2.038 359 E HA -0.254 4.132 4.350 0.060 0.000 0.195 359 E C 1.923 178.461 176.600 -0.104 0.000 1.000 359 E CA 1.312 57.674 56.400 -0.064 0.000 0.803 359 E CB -0.163 29.517 29.700 -0.034 0.000 0.750 359 E HN 0.276 nan 8.360 nan 0.000 0.448 360 Y N 0.646 120.716 120.300 -0.383 0.000 2.165 360 Y HA -0.209 4.377 4.550 0.060 0.000 0.286 360 Y C 1.969 177.788 175.900 -0.135 0.000 1.155 360 Y CA 1.705 59.618 58.100 -0.312 0.000 1.164 360 Y CB -0.574 37.572 38.460 -0.522 0.000 0.978 360 Y HN 0.141 nan 8.280 nan 0.000 0.513 361 A N 0.413 123.128 122.820 -0.174 0.000 1.902 361 A HA -0.083 4.273 4.320 0.060 0.000 0.217 361 A C 2.440 179.938 177.584 -0.144 0.000 1.181 361 A CA 1.836 53.781 52.037 -0.154 0.000 0.623 361 A CB -1.478 17.512 19.000 -0.016 0.000 0.818 361 A HN 0.595 nan 8.150 nan 0.000 0.443 362 A N -0.448 122.309 122.820 -0.105 0.000 1.933 362 A HA -0.158 4.198 4.320 0.060 0.000 0.218 362 A C 2.141 179.665 177.584 -0.100 0.000 1.175 362 A CA 1.864 53.855 52.037 -0.077 0.000 0.628 362 A CB -0.420 18.554 19.000 -0.043 0.000 0.814 362 A HN 0.497 nan 8.150 nan 0.000 0.444 363 K N 0.107 120.421 120.400 -0.144 0.000 2.148 363 K HA -0.084 4.272 4.320 0.060 0.000 0.204 363 K C 1.411 177.896 176.600 -0.192 0.000 1.050 363 K CA 1.646 57.847 56.287 -0.143 0.000 0.942 363 K CB -0.180 32.248 32.500 -0.121 0.000 0.724 363 K HN 0.488 nan 8.250 nan 0.000 0.446 364 V N -1.429 118.298 119.914 -0.312 0.000 3.499 364 V HA 0.142 4.298 4.120 0.060 0.000 0.308 364 V C -0.558 175.475 176.094 -0.101 0.000 1.319 364 V CA 0.112 62.264 62.300 -0.246 0.000 1.194 364 V CB -1.199 30.387 31.823 -0.395 0.000 1.072 364 V HN 0.336 nan 8.190 nan 0.000 0.426 365 N N 0.865 119.520 118.700 -0.075 0.000 2.727 365 N HA -0.270 4.506 4.740 0.060 0.000 0.249 365 N C -0.050 175.483 175.510 0.039 0.000 1.048 365 N CA 1.261 54.297 53.050 -0.023 0.000 0.714 365 N CB -1.815 36.666 38.487 -0.010 0.000 0.959 365 N HN 0.991 nan 8.380 nan 0.000 0.544 366 H N -1.571 117.448 119.070 -0.085 0.000 2.538 366 H HA 0.332 4.924 4.556 0.060 0.000 0.239 366 H C -2.806 172.486 175.328 -0.060 0.000 1.401 366 H CA -1.791 54.220 56.048 -0.062 0.000 1.499 366 H CB 0.810 30.535 29.762 -0.062 0.000 1.624 366 H HN -0.064 nan 8.280 nan 0.000 0.524 367 P HA 0.052 nan 4.420 nan 0.000 0.266 367 P C -0.230 176.999 177.300 -0.118 0.000 1.195 367 P CA 0.194 63.233 63.100 -0.100 0.000 0.768 367 P CB 0.763 32.413 31.700 -0.083 0.000 0.838 368 I N -1.438 119.105 120.570 -0.046 0.000 2.957 368 I HA 0.643 4.849 4.170 0.060 0.000 0.310 368 I C -0.563 175.514 176.117 -0.068 0.000 1.063 368 I CA -1.245 60.025 61.300 -0.050 0.000 1.033 368 I CB 2.592 40.555 38.000 -0.063 0.000 1.230 368 I HN 0.024 nan 8.210 nan 0.000 0.447 369 K N 2.064 122.398 120.400 -0.109 0.000 2.267 369 K HA 0.541 4.897 4.320 0.060 0.000 0.246 369 K C -1.857 174.550 176.600 -0.323 0.000 0.954 369 K CA -0.744 55.475 56.287 -0.114 0.000 0.824 369 K CB 2.104 34.597 32.500 -0.011 0.000 1.167 369 K HN 0.465 nan 8.250 nan 0.000 0.431 370 Y N 0.004 120.312 120.300 0.012 0.000 2.409 370 Y HA 0.291 4.877 4.550 0.060 0.000 0.339 370 Y C -0.035 175.881 175.900 0.027 0.000 1.033 370 Y CA -0.361 57.766 58.100 0.046 0.000 1.094 370 Y CB 2.271 40.828 38.460 0.162 0.000 1.210 370 Y HN 0.445 nan 8.280 nan 0.000 0.456 371 S N 3.218 119.023 115.700 0.175 0.000 2.532 371 S HA 0.419 4.925 4.470 0.060 0.000 0.301 371 S C -1.708 172.789 174.600 -0.172 0.000 1.083 371 S CA -0.847 57.385 58.200 0.053 0.000 1.025 371 S CB 1.558 64.813 63.200 0.091 0.000 1.056 371 S HN 0.693 nan 8.310 nan 0.000 0.494 372 W N 3.406 124.470 121.300 -0.393 0.000 2.781 372 W HA 0.420 5.116 4.660 0.060 0.000 0.333 372 W C -2.164 174.070 176.519 -0.476 0.000 1.047 372 W CA -0.860 56.245 57.345 -0.400 0.000 1.236 372 W CB 0.945 30.339 29.460 -0.110 0.000 1.394 372 W HN 0.741 nan 8.180 nan 0.000 0.466 373 Y N 4.916 124.613 120.300 -1.004 0.000 2.359 373 Y HA 0.021 4.607 4.550 0.060 0.000 0.330 373 Y C 0.933 176.322 175.900 -0.853 0.000 1.143 373 Y CA 0.686 58.404 58.100 -0.636 0.000 1.318 373 Y CB 0.645 38.963 38.460 -0.236 0.000 1.234 373 Y HN 0.412 nan 8.280 nan 0.000 0.522 374 D N 4.868 124.826 120.400 -0.736 0.000 2.422 374 D HA 0.191 4.867 4.640 0.060 0.000 0.263 374 D C -0.161 176.332 176.300 0.321 0.000 1.334 374 D CA 0.946 54.838 54.000 -0.180 0.000 1.105 374 D CB -0.060 40.641 40.800 -0.166 0.000 1.107 374 D HN 0.691 nan 8.370 nan 0.000 0.522 375 A N 4.393 127.326 122.820 0.189 0.000 1.702 375 A HA 0.199 4.555 4.320 0.060 0.000 0.151 375 A C 0.673 178.277 177.584 0.034 0.000 1.611 375 A CA -0.360 51.753 52.037 0.126 0.000 1.414 375 A CB -0.342 18.706 19.000 0.080 0.000 1.183 375 A HN 0.468 nan 8.150 nan 0.000 0.917 376 M N 3.563 123.144 119.600 -0.031 0.000 2.307 376 M HA 0.236 4.752 4.480 0.060 0.000 0.346 376 M C 0.504 177.088 176.300 0.472 0.000 1.552 376 M CA 0.327 55.697 55.300 0.115 0.000 1.116 376 M CB 0.206 32.821 32.600 0.025 0.000 1.889 376 M HN 0.710 nan 8.290 nan 0.000 0.460 377 T N 2.367 117.189 114.554 0.446 0.000 2.828 377 T HA 0.079 4.465 4.350 0.060 0.000 0.290 377 T C 0.744 175.825 174.700 0.635 0.000 1.019 377 T CA -0.374 62.095 62.100 0.616 0.000 1.031 377 T CB 0.680 69.861 68.868 0.523 0.000 1.001 377 T HN 0.751 nan 8.240 nan 0.000 0.531 378 Y N 1.641 122.155 120.300 0.357 0.000 2.128 378 Y HA -0.125 4.461 4.550 0.060 0.000 0.284 378 Y C 2.068 177.954 175.900 -0.024 0.000 1.154 378 Y CA 1.715 59.814 58.100 -0.003 0.000 1.149 378 Y CB 0.146 38.413 38.460 -0.321 0.000 0.976 378 Y HN 0.591 nan 8.280 nan 0.000 0.505 379 N N -2.567 116.112 118.700 -0.034 0.000 2.181 379 N HA 0.038 4.814 4.740 0.060 0.000 0.207 379 N C -0.697 174.452 175.510 -0.603 0.000 1.182 379 N CA 0.347 53.139 53.050 -0.431 0.000 0.893 379 N CB 0.535 38.655 38.487 -0.611 0.000 1.032 379 N HN 0.340 nan 8.380 nan 0.000 0.513 380 Y N -0.059 120.274 120.300 0.054 0.000 2.738 380 Y HA 0.438 5.024 4.550 0.060 0.000 0.249 380 Y C 1.386 177.268 175.900 -0.030 0.000 1.153 380 Y CA -0.241 57.843 58.100 -0.025 0.000 1.165 380 Y CB 0.522 38.903 38.460 -0.131 0.000 1.235 380 Y HN -0.011 nan 8.280 nan 0.000 0.559 381 G N 1.352 110.200 108.800 0.080 0.000 2.598 381 G HA2 -0.318 3.678 3.960 0.060 0.000 0.244 381 G HA3 -0.318 3.678 3.960 0.060 0.000 0.244 381 G C -0.285 174.633 174.900 0.030 0.000 1.302 381 G CA -0.511 44.596 45.100 0.012 0.000 0.903 381 G HN 0.354 nan 8.290 nan 0.000 0.575 382 R N -0.203 120.257 120.500 -0.067 0.000 2.401 382 R HA 0.499 4.875 4.340 0.060 0.000 0.299 382 R C -0.971 175.328 176.300 -0.002 0.000 1.064 382 R CA -0.127 55.911 56.100 -0.103 0.000 1.000 382 R CB -0.006 30.144 30.300 -0.250 0.000 0.973 382 R HN 1.010 nan 8.270 nan 0.000 0.438 383 Y N 4.786 125.002 120.300 -0.140 0.000 2.262 383 Y HA 0.166 4.752 4.550 0.060 0.000 0.317 383 Y C -1.448 174.450 175.900 -0.003 0.000 1.230 383 Y CA -0.917 57.123 58.100 -0.100 0.000 1.166 383 Y CB 0.626 39.058 38.460 -0.048 0.000 1.254 383 Y HN 0.653 nan 8.280 nan 0.000 0.405 384 H N 5.974 124.863 119.070 -0.302 0.000 2.767 384 H HA 0.197 4.789 4.556 0.060 0.000 0.316 384 H C 0.310 175.281 175.328 -0.594 0.000 1.059 384 H CA 0.276 56.177 56.048 -0.246 0.000 1.461 384 H CB 1.465 31.200 29.762 -0.046 0.000 1.475 384 H HN 0.818 nan 8.280 nan 0.000 0.531 385 Q N 1.271 120.995 119.800 -0.126 0.000 2.392 385 Q HA -0.022 4.354 4.340 0.060 0.000 0.203 385 Q C -0.299 175.747 176.000 0.078 0.000 0.917 385 Q CA -0.019 55.752 55.803 -0.054 0.000 0.939 385 Q CB 0.563 29.422 28.738 0.201 0.000 1.063 385 Q HN 0.671 nan 8.270 nan 0.000 0.516 386 D N 0.346 120.816 120.400 0.118 0.000 2.723 386 D HA -0.164 4.512 4.640 0.060 0.000 0.236 386 D C 0.225 176.663 176.300 0.230 0.000 1.138 386 D CA 1.321 55.421 54.000 0.166 0.000 0.676 386 D CB -1.231 39.666 40.800 0.161 0.000 1.069 386 D HN 0.522 nan 8.370 nan 0.000 0.430 387 G N -1.193 107.775 108.800 0.280 0.000 2.324 387 G HA2 0.339 4.335 3.960 0.060 0.000 0.293 387 G HA3 0.339 4.335 3.960 0.060 0.000 0.293 387 G C -1.850 173.242 174.900 0.320 0.000 1.297 387 G CA -0.860 44.409 45.100 0.282 0.000 0.853 387 G HN 0.174 nan 8.290 nan 0.000 0.535 388 L N 1.265 122.532 121.223 0.073 0.000 2.265 388 L HA 0.816 5.192 4.340 0.060 0.000 0.288 388 L C 0.761 177.712 176.870 0.136 0.000 1.058 388 L CA 1.133 55.879 54.840 -0.158 0.000 0.809 388 L CB 0.838 42.671 42.059 -0.378 0.000 1.179 388 L HN 1.343 nan 8.230 nan 0.000 0.429 389 G N 3.332 112.265 108.800 0.222 0.000 2.947 389 G HA2 0.241 4.237 3.960 0.060 0.000 0.293 389 G HA3 0.241 4.237 3.960 0.060 0.000 0.293 389 G C -0.007 175.081 174.900 0.313 0.000 1.243 389 G CA 0.202 45.506 45.100 0.340 0.000 0.802 389 G HN 0.506 nan 8.290 nan 0.000 0.560 390 E N -0.391 119.908 120.200 0.164 0.000 2.418 390 E HA -0.058 4.328 4.350 0.060 0.000 0.197 390 E C 0.784 177.415 176.600 0.052 0.000 1.026 390 E CA 1.167 57.579 56.400 0.019 0.000 0.862 390 E CB -0.113 29.425 29.700 -0.269 0.000 0.799 390 E HN 0.514 nan 8.360 nan 0.000 0.518 391 Y N 1.229 121.770 120.300 0.401 0.000 2.442 391 Y HA 0.148 4.734 4.550 0.060 0.000 0.250 391 Y C 1.223 177.346 175.900 0.371 0.000 1.113 391 Y CA 0.626 58.968 58.100 0.404 0.000 1.273 391 Y CB 0.289 39.019 38.460 0.450 0.000 1.138 391 Y HN 0.250 nan 8.280 nan 0.000 0.522 392 N N -1.821 117.165 118.700 0.477 0.000 2.118 392 N HA -0.070 4.706 4.740 0.060 0.000 0.226 392 N C 1.038 176.681 175.510 0.222 0.000 1.305 392 N CA -0.160 53.178 53.050 0.481 0.000 0.890 392 N CB -1.343 37.596 38.487 0.754 0.000 1.118 392 N HN 0.334 nan 8.380 nan 0.000 0.511 393 Y N 0.538 120.882 120.300 0.074 0.000 2.315 393 Y HA -0.071 4.515 4.550 0.060 0.000 0.288 393 Y C 1.652 177.472 175.900 -0.132 0.000 1.154 393 Y CA 1.133 59.209 58.100 -0.040 0.000 1.229 393 Y CB -0.624 37.824 38.460 -0.020 0.000 0.980 393 Y HN -0.048 nan 8.280 nan 0.000 0.540 394 Q N 0.389 119.580 119.800 -1.015 0.000 2.181 394 Q HA -0.119 4.257 4.340 0.060 0.000 0.205 394 Q C 1.589 177.162 176.000 -0.712 0.000 0.980 394 Q CA 2.130 57.266 55.803 -1.112 0.000 0.862 394 Q CB -0.646 26.960 28.738 -1.886 0.000 0.905 394 Q HN 0.635 nan 8.270 nan 0.000 0.429 395 F N -0.953 118.807 119.950 -0.317 0.000 2.604 395 F HA -0.024 4.539 4.527 0.060 0.000 0.298 395 F C 1.615 177.299 175.800 -0.193 0.000 1.131 395 F CA 0.714 58.498 58.000 -0.360 0.000 1.457 395 F CB 0.018 38.569 39.000 -0.749 0.000 1.095 395 F HN 0.119 nan 8.300 nan 0.000 0.574 396 M N -0.928 118.695 119.600 0.038 0.000 2.333 396 M HA 0.102 4.618 4.480 0.060 0.000 0.257 396 M C 0.398 176.720 176.300 0.036 0.000 1.078 396 M CA 0.264 55.608 55.300 0.072 0.000 1.005 396 M CB -0.601 32.042 32.600 0.072 0.000 1.444 396 M HN 0.034 nan 8.290 nan 0.000 0.496 397 Q N 2.751 122.540 119.800 -0.018 0.000 2.271 397 Q HA 0.112 4.488 4.340 0.060 0.000 0.273 397 Q C -2.153 173.842 176.000 -0.009 0.000 1.051 397 Q CA -1.500 54.300 55.803 -0.005 0.000 0.901 397 Q CB 0.739 29.435 28.738 -0.069 0.000 1.174 397 Q HN 0.029 nan 8.270 nan 0.000 0.385 398 P HA -0.061 nan 4.420 nan 0.000 0.264 398 P C -1.165 176.129 177.300 -0.010 0.000 1.193 398 P CA 0.348 63.447 63.100 -0.001 0.000 0.763 398 P CB 0.522 32.213 31.700 -0.015 0.000 0.810 399 E N 3.045 123.247 120.200 0.004 0.000 2.256 399 E HA 0.468 4.854 4.350 0.060 0.000 0.243 399 E C 0.873 177.480 176.600 0.012 0.000 0.925 399 E CA -0.085 56.319 56.400 0.007 0.000 0.748 399 E CB -0.282 29.430 29.700 0.021 0.000 1.206 399 E HN 0.606 nan 8.360 nan 0.000 0.428 400 G N 4.464 113.265 108.800 0.002 0.000 2.591 400 G HA2 -0.391 3.605 3.960 0.060 0.000 0.298 400 G HA3 -0.391 3.605 3.960 0.060 0.000 0.298 400 G C 0.515 175.417 174.900 0.004 0.000 1.195 400 G CA 0.401 45.503 45.100 0.003 0.000 0.989 400 G HN 0.684 nan 8.290 nan 0.000 0.551 401 D N 1.040 121.447 120.400 0.012 0.000 2.342 401 D HA 0.278 4.954 4.640 0.060 0.000 0.221 401 D C 0.693 177.010 176.300 0.028 0.000 1.101 401 D CA 0.432 54.442 54.000 0.016 0.000 0.837 401 D CB 0.213 41.022 40.800 0.015 0.000 0.938 401 D HN 0.351 nan 8.370 nan 0.000 0.508 402 K N 0.220 120.640 120.400 0.033 0.000 2.258 402 K HA 0.654 5.010 4.320 0.060 0.000 0.236 402 K C 0.051 176.682 176.600 0.052 0.000 1.008 402 K CA -1.083 55.233 56.287 0.048 0.000 0.869 402 K CB 2.346 34.878 32.500 0.053 0.000 1.171 402 K HN 0.053 nan 8.250 nan 0.000 0.447 403 V N -2.202 117.756 119.914 0.073 0.000 3.078 403 V HA 0.526 4.682 4.120 0.060 0.000 0.311 403 V C -2.423 173.731 176.094 0.100 0.000 1.138 403 V CA -1.902 60.444 62.300 0.077 0.000 1.007 403 V CB 2.070 33.948 31.823 0.092 0.000 1.045 403 V HN 0.430 nan 8.190 nan 0.000 0.432 404 P HA 0.254 nan 4.420 nan 0.000 0.209 404 P C 0.394 177.779 177.300 0.142 0.000 1.201 404 P CA 1.497 64.650 63.100 0.088 0.000 0.911 404 P CB 0.059 31.779 31.700 0.034 0.000 0.758 405 A N 0.413 123.311 122.820 0.130 0.000 2.366 405 A HA 0.146 4.502 4.320 0.060 0.000 0.272 405 A C 0.927 178.660 177.584 0.249 0.000 1.135 405 A CA -0.216 51.955 52.037 0.222 0.000 0.804 405 A CB -0.270 18.878 19.000 0.247 0.000 1.064 405 A HN 0.099 nan 8.150 nan 0.000 0.499 406 D N 1.140 121.703 120.400 0.270 0.000 2.137 406 D HA -0.038 4.639 4.640 0.060 0.000 0.202 406 D C -0.169 176.326 176.300 0.325 0.000 0.970 406 D CA 1.089 55.242 54.000 0.255 0.000 0.837 406 D CB 0.205 41.138 40.800 0.221 0.000 0.981 406 D HN 0.585 nan 8.370 nan 0.000 0.475 407 N N -0.045 118.872 118.700 0.361 0.000 2.269 407 N HA 0.290 5.066 4.740 0.060 0.000 0.304 407 N C -1.298 174.515 175.510 0.505 0.000 1.072 407 N CA -0.472 52.866 53.050 0.481 0.000 0.802 407 N CB 2.263 40.975 38.487 0.376 0.000 1.348 407 N HN -0.043 nan 8.380 nan 0.000 0.484 408 F N 1.367 121.579 119.950 0.436 0.000 2.482 408 F HA 0.509 5.072 4.527 0.060 0.000 0.331 408 F C -1.181 174.861 175.800 0.402 0.000 1.115 408 F CA -1.101 57.135 58.000 0.393 0.000 0.955 408 F CB 1.024 40.223 39.000 0.333 0.000 1.136 408 F HN 0.329 nan 8.300 nan 0.000 0.452 409 F N 5.894 125.634 119.950 -0.350 0.000 2.332 409 F HA 0.689 5.251 4.527 0.060 0.000 0.368 409 F C -0.085 175.318 175.800 -0.662 0.000 1.110 409 F CA -0.778 57.064 58.000 -0.263 0.000 1.087 409 F CB 0.440 39.401 39.000 -0.065 0.000 1.235 409 F HN 0.613 nan 8.300 nan 0.000 0.470 410 A N 4.978 127.615 122.820 -0.306 0.000 2.440 410 A HA 0.208 4.564 4.320 0.060 0.000 0.251 410 A C 0.190 177.588 177.584 -0.310 0.000 1.089 410 A CA -0.440 51.514 52.037 -0.139 0.000 0.779 410 A CB 0.009 19.049 19.000 0.067 0.000 1.022 410 A HN 0.830 nan 8.150 nan 0.000 0.492 411 N N 0.774 119.314 118.700 -0.267 0.000 2.381 411 N HA 0.141 4.917 4.740 0.060 0.000 0.241 411 N C 0.368 175.789 175.510 -0.149 0.000 1.279 411 N CA 0.265 53.088 53.050 -0.378 0.000 0.896 411 N CB -0.057 38.295 38.487 -0.224 0.000 1.118 411 N HN 0.495 nan 8.380 nan 0.000 0.438 412 F N -0.474 119.526 119.950 0.083 0.000 2.502 412 F HA 0.047 4.610 4.527 0.060 0.000 0.298 412 F C 1.471 177.110 175.800 -0.269 0.000 1.111 412 F CA 0.239 58.233 58.000 -0.011 0.000 1.445 412 F CB -0.166 38.800 39.000 -0.058 0.000 1.081 412 F HN 0.445 nan 8.300 nan 0.000 0.558 413 N N 1.301 120.003 118.700 0.003 0.000 2.597 413 N HA -0.024 4.752 4.740 0.060 0.000 0.269 413 N C -0.176 175.309 175.510 -0.041 0.000 1.204 413 N CA -0.362 52.634 53.050 -0.091 0.000 0.947 413 N CB -0.224 38.261 38.487 -0.004 0.000 1.258 413 N HN 0.253 nan 8.380 nan 0.000 0.508 414 W N 0.654 121.970 121.300 0.026 0.000 2.129 414 W HA 0.404 5.100 4.660 0.060 0.000 0.349 414 W C -0.241 176.285 176.519 0.011 0.000 1.279 414 W CA -0.606 56.748 57.345 0.015 0.000 1.306 414 W CB 0.089 29.550 29.460 0.000 0.000 1.140 414 W HN 0.130 nan 8.180 nan 0.000 0.613 415 D N -1.466 119.169 120.400 0.391 0.000 2.825 415 D HA 0.170 4.846 4.640 0.060 0.000 0.327 415 D C 0.661 177.121 176.300 0.267 0.000 1.277 415 D CA -0.845 53.318 54.000 0.272 0.000 0.950 415 D CB 1.091 41.959 40.800 0.113 0.000 1.438 415 D HN 0.292 nan 8.370 nan 0.000 0.526 416 K N -0.424 120.083 120.400 0.178 0.000 2.009 416 K HA -0.118 4.238 4.320 0.060 0.000 0.210 416 K C 1.994 178.661 176.600 0.112 0.000 1.049 416 K CA 1.703 58.069 56.287 0.133 0.000 0.929 416 K CB -0.639 31.920 32.500 0.098 0.000 0.714 416 K HN 0.433 nan 8.250 nan 0.000 0.440 417 A N 1.474 124.358 122.820 0.107 0.000 1.892 417 A HA -0.235 4.121 4.320 0.060 0.000 0.218 417 A C 1.975 179.645 177.584 0.143 0.000 1.188 417 A CA 2.071 54.173 52.037 0.109 0.000 0.631 417 A CB -0.480 18.573 19.000 0.090 0.000 0.822 417 A HN 0.372 nan 8.150 nan 0.000 0.447 418 K N -0.592 119.896 120.400 0.147 0.000 2.097 418 K HA -0.120 4.236 4.320 0.060 0.000 0.206 418 K C 1.795 178.492 176.600 0.162 0.000 1.049 418 K CA 1.388 57.774 56.287 0.166 0.000 0.933 418 K CB -0.203 32.406 32.500 0.182 0.000 0.717 418 K HN 0.411 nan 8.250 nan 0.000 0.442 419 N N 1.217 119.988 118.700 0.118 0.000 2.142 419 N HA -0.132 4.644 4.740 0.060 0.000 0.186 419 N C 1.213 176.726 175.510 0.005 0.000 1.023 419 N CA 1.260 54.319 53.050 0.015 0.000 0.852 419 N CB -0.373 38.088 38.487 -0.044 0.000 0.998 419 N HN 0.131 nan 8.380 nan 0.000 0.424 420 D N -0.141 120.283 120.400 0.039 0.000 2.116 420 D HA -0.182 4.494 4.640 0.060 0.000 0.193 420 D C 1.819 178.127 176.300 0.013 0.000 0.998 420 D CA 0.954 54.964 54.000 0.017 0.000 0.836 420 D CB -0.540 40.285 40.800 0.041 0.000 0.951 420 D HN 0.317 nan 8.370 nan 0.000 0.449 421 Y N 1.249 121.535 120.300 -0.024 0.000 2.181 421 Y HA -0.225 4.361 4.550 0.060 0.000 0.288 421 Y C 2.511 178.384 175.900 -0.045 0.000 1.146 421 Y CA 1.708 59.789 58.100 -0.031 0.000 1.164 421 Y CB -0.290 38.167 38.460 -0.005 0.000 0.982 421 Y HN -0.078 nan 8.280 nan 0.000 0.515 422 T N 0.718 115.343 114.554 0.118 0.000 2.652 422 T HA -0.227 4.159 4.350 0.060 0.000 0.267 422 T C 1.941 176.591 174.700 -0.082 0.000 1.039 422 T CA 2.067 64.177 62.100 0.017 0.000 1.153 422 T CB -0.492 68.373 68.868 -0.005 0.000 0.863 422 T HN 0.288 nan 8.240 nan 0.000 0.428 423 I N 1.241 121.746 120.570 -0.107 0.000 2.163 423 I HA -0.214 3.992 4.170 0.060 0.000 0.243 423 I C 2.877 178.918 176.117 -0.127 0.000 1.085 423 I CA 1.233 62.450 61.300 -0.138 0.000 1.347 423 I CB -0.469 37.444 38.000 -0.146 0.000 1.044 423 I HN 0.195 nan 8.210 nan 0.000 0.408 424 A N 0.084 122.808 122.820 -0.159 0.000 1.908 424 A HA -0.213 4.143 4.320 0.060 0.000 0.218 424 A C 2.386 179.865 177.584 -0.175 0.000 1.181 424 A CA 2.521 54.443 52.037 -0.192 0.000 0.627 424 A CB -1.075 17.740 19.000 -0.309 0.000 0.818 424 A HN 0.399 nan 8.150 nan 0.000 0.445 425 T N 0.047 114.470 114.554 -0.219 0.000 2.770 425 T HA 0.062 4.448 4.350 0.060 0.000 0.263 425 T C 2.274 176.959 174.700 -0.024 0.000 1.039 425 T CA 1.432 63.447 62.100 -0.142 0.000 1.142 425 T CB -0.450 68.353 68.868 -0.109 0.000 0.868 425 T HN 0.591 nan 8.240 nan 0.000 0.435 426 A N 2.534 125.322 122.820 -0.053 0.000 1.883 426 A HA -0.191 4.165 4.320 0.060 0.000 0.217 426 A C 2.264 179.838 177.584 -0.017 0.000 1.186 426 A CA 1.677 53.692 52.037 -0.038 0.000 0.624 426 A CB -0.718 18.239 19.000 -0.072 0.000 0.822 426 A HN 0.374 nan 8.150 nan 0.000 0.444 427 N N -1.533 117.153 118.700 -0.023 0.000 2.120 427 N HA -0.187 4.589 4.740 0.060 0.000 0.188 427 N C 1.424 176.945 175.510 0.017 0.000 1.024 427 N CA 1.484 54.527 53.050 -0.011 0.000 0.852 427 N CB -0.567 37.909 38.487 -0.018 0.000 1.003 427 N HN 0.758 nan 8.380 nan 0.000 0.424 428 W N 2.475 123.692 121.300 -0.138 0.000 2.358 428 W HA -0.029 4.667 4.660 0.060 0.000 0.303 428 W C 1.945 178.388 176.519 -0.126 0.000 1.208 428 W CA 1.141 58.399 57.345 -0.145 0.000 1.274 428 W CB -0.237 29.105 29.460 -0.197 0.000 1.138 428 W HN 0.092 nan 8.180 nan 0.000 0.515 429 I N -1.512 119.049 120.570 -0.016 0.000 3.564 429 I HA 0.387 4.593 4.170 0.060 0.000 0.294 429 I C 1.437 177.480 176.117 -0.125 0.000 1.289 429 I CA 0.866 62.098 61.300 -0.113 0.000 1.325 429 I CB -0.855 37.174 38.000 0.048 0.000 1.039 429 I HN 0.144 nan 8.210 nan 0.000 0.474 430 G N 1.945 110.680 108.800 -0.108 0.000 2.204 430 G HA2 -0.188 3.808 3.960 0.060 0.000 0.244 430 G HA3 -0.188 3.808 3.960 0.060 0.000 0.244 430 G C -0.175 174.706 174.900 -0.031 0.000 1.062 430 G CA -0.421 44.630 45.100 -0.082 0.000 0.798 430 G HN 0.373 nan 8.290 nan 0.000 0.496 431 R N -0.314 120.179 120.500 -0.012 0.000 2.778 431 R HA 0.414 4.790 4.340 0.060 0.000 0.277 431 R C -0.043 176.265 176.300 0.013 0.000 0.977 431 R CA -1.326 54.784 56.100 0.016 0.000 0.950 431 R CB 0.781 31.100 30.300 0.032 0.000 1.165 431 R HN 0.213 nan 8.270 nan 0.000 0.474 432 N N 2.796 121.521 118.700 0.041 0.000 2.452 432 N HA 0.042 4.818 4.740 0.060 0.000 0.266 432 N C -1.729 173.783 175.510 0.003 0.000 1.209 432 N CA -1.358 51.721 53.050 0.050 0.000 0.929 432 N CB 0.983 39.534 38.487 0.107 0.000 1.063 432 N HN 0.168 nan 8.380 nan 0.000 0.472 433 P HA -0.126 nan 4.420 nan 0.000 0.218 433 P C 0.411 177.528 177.300 -0.304 0.000 1.146 433 P CA 1.334 64.295 63.100 -0.232 0.000 0.813 433 P CB -0.020 31.459 31.700 -0.369 0.000 0.778 434 Y N -0.678 119.571 120.300 -0.085 0.000 2.616 434 Y HA -0.076 4.510 4.550 0.060 0.000 0.296 434 Y C 1.561 177.335 175.900 -0.211 0.000 1.154 434 Y CA 0.740 58.742 58.100 -0.164 0.000 1.325 434 Y CB -0.993 37.391 38.460 -0.126 0.000 1.007 434 Y HN -0.011 nan 8.280 nan 0.000 0.542 435 D N -0.667 119.769 120.400 0.061 0.000 2.363 435 D HA 0.008 4.684 4.640 0.060 0.000 0.226 435 D C -0.011 176.456 176.300 0.277 0.000 1.020 435 D CA 0.481 54.599 54.000 0.196 0.000 0.892 435 D CB 0.162 41.112 40.800 0.251 0.000 0.900 435 D HN -0.011 nan 8.370 nan 0.000 0.531 436 V N 1.409 121.370 119.914 0.078 0.000 2.394 436 V HA 0.239 4.396 4.120 0.060 0.000 0.282 436 V C -0.369 175.695 176.094 -0.049 0.000 1.031 436 V CA -0.621 61.793 62.300 0.190 0.000 0.881 436 V CB 0.976 32.850 31.823 0.084 0.000 0.982 436 V HN -0.131 nan 8.190 nan 0.000 0.451 437 F N 3.369 123.345 119.950 0.043 0.000 2.347 437 F HA 0.627 5.190 4.527 0.060 0.000 0.366 437 F C 0.748 176.314 175.800 -0.389 0.000 1.107 437 F CA -0.690 57.243 58.000 -0.111 0.000 1.058 437 F CB 1.223 40.203 39.000 -0.033 0.000 1.236 437 F HN 0.539 nan 8.300 nan 0.000 0.456 438 A N 2.863 125.512 122.820 -0.284 0.000 2.484 438 A HA 0.490 4.846 4.320 0.060 0.000 0.268 438 A C 0.853 178.289 177.584 -0.246 0.000 1.114 438 A CA 0.037 51.784 52.037 -0.484 0.000 0.780 438 A CB -0.404 17.971 19.000 -1.042 0.000 1.061 438 A HN 0.886 nan 8.150 nan 0.000 0.505 439 G N 1.792 110.464 108.800 -0.213 0.000 2.398 439 G HA2 0.464 4.460 3.960 0.060 0.000 0.246 439 G HA3 0.464 4.460 3.960 0.060 0.000 0.246 439 G C -0.276 175.019 174.900 0.659 0.000 1.289 439 G CA -0.403 44.672 45.100 -0.042 0.000 0.869 439 G HN 0.736 nan 8.290 nan 0.000 0.543 440 L N 2.008 123.623 121.223 0.654 0.000 2.305 440 L HA 0.333 4.709 4.340 0.060 0.000 0.284 440 L C 0.142 177.245 176.870 0.388 0.000 1.013 440 L CA -0.876 54.268 54.840 0.505 0.000 0.819 440 L CB 2.043 44.342 42.059 0.399 0.000 1.227 440 L HN 0.360 nan 8.230 nan 0.000 0.417 441 E N 4.051 124.212 120.200 -0.065 0.000 1.861 441 E HA 0.156 4.542 4.350 0.060 0.000 0.263 441 E C 0.541 177.044 176.600 -0.161 0.000 1.137 441 E CA -0.014 56.073 56.400 -0.522 0.000 0.944 441 E CB 0.668 29.750 29.700 -1.030 0.000 1.092 441 E HN 0.601 nan 8.360 nan 0.000 0.420 442 L N 2.204 123.410 121.223 -0.028 0.000 2.509 442 L HA 0.014 4.390 4.340 0.060 0.000 0.222 442 L C 2.282 179.055 176.870 -0.162 0.000 1.123 442 L CA 0.282 55.083 54.840 -0.064 0.000 0.856 442 L CB 0.007 42.056 42.059 -0.018 0.000 0.985 442 L HN 0.390 nan 8.230 nan 0.000 0.456 443 Q N -0.090 119.606 119.800 -0.174 0.000 2.008 443 Q HA -0.162 4.214 4.340 0.060 0.000 0.196 443 Q C 2.175 178.081 176.000 -0.157 0.000 0.973 443 Q CA 1.055 56.742 55.803 -0.193 0.000 0.826 443 Q CB 0.197 28.830 28.738 -0.176 0.000 0.894 443 Q HN 0.313 nan 8.270 nan 0.000 0.439 444 Q N -0.505 119.205 119.800 -0.150 0.000 2.291 444 Q HA -0.057 4.319 4.340 0.060 0.000 0.205 444 Q C 1.825 177.739 176.000 -0.144 0.000 0.970 444 Q CA 1.382 57.095 55.803 -0.150 0.000 0.876 444 Q CB -0.310 28.325 28.738 -0.172 0.000 0.935 444 Q HN 0.536 nan 8.270 nan 0.000 0.455 445 G N -0.345 108.366 108.800 -0.148 0.000 2.453 445 G HA2 0.145 4.142 3.960 0.060 0.000 0.215 445 G HA3 0.145 4.142 3.960 0.060 0.000 0.215 445 G C 0.759 175.574 174.900 -0.142 0.000 1.147 445 G CA 0.454 45.479 45.100 -0.125 0.000 0.802 445 G HN 0.480 nan 8.290 nan 0.000 0.535 446 G N -0.469 108.225 108.800 -0.177 0.000 2.303 446 G HA2 0.081 4.077 3.960 0.060 0.000 0.260 446 G HA3 0.081 4.077 3.960 0.060 0.000 0.260 446 G C 0.479 175.175 174.900 -0.340 0.000 1.106 446 G CA 1.108 46.068 45.100 -0.233 0.000 0.900 446 G HN 1.605 nan 8.290 nan 0.000 0.495 447 S N -1.403 114.124 115.700 -0.288 0.000 4.116 447 S HA -0.400 4.106 4.470 0.060 0.000 0.623 447 S C 1.599 175.941 174.600 -0.429 0.000 1.933 447 S CA 2.452 60.473 58.200 -0.299 0.000 4.224 447 S CB -1.460 61.471 63.200 -0.449 0.000 0.208 447 S HN 2.100 nan 8.310 nan 0.000 0.527 448 Y N 1.134 121.115 120.300 -0.532 0.000 2.632 448 Y HA 0.405 4.992 4.550 0.061 0.000 0.301 448 Y C 1.777 177.292 175.900 -0.641 0.000 1.172 448 Y CA 0.773 58.026 58.100 -1.412 0.000 1.328 448 Y CB -0.431 37.092 38.460 -1.561 0.000 1.016 448 Y HN 0.353 nan 8.280 nan 0.000 0.529 449 K N 0.502 120.703 120.400 -0.330 0.000 2.487 449 K HA 0.074 4.430 4.320 0.060 0.000 0.192 449 K C 0.243 176.832 176.600 -0.018 0.000 1.027 449 K CA 0.309 56.558 56.287 -0.064 0.000 1.054 449 K CB -0.016 32.416 32.500 -0.114 0.000 0.824 449 K HN 0.149 nan 8.250 nan 0.000 0.510 450 T N 3.103 117.625 114.554 -0.053 0.000 2.867 450 T HA 0.010 4.396 4.350 0.060 0.000 0.297 450 T C 0.044 174.817 174.700 0.123 0.000 0.989 450 T CA 0.180 62.292 62.100 0.020 0.000 1.159 450 T CB 0.404 69.296 68.868 0.041 0.000 0.928 450 T HN 0.134 nan 8.240 nan 0.000 0.538 451 K N 3.097 123.521 120.400 0.040 0.000 2.121 451 K HA 0.279 4.635 4.320 0.060 0.000 0.235 451 K C -0.350 176.209 176.600 -0.068 0.000 1.200 451 K CA -0.424 55.884 56.287 0.035 0.000 1.115 451 K CB -0.214 32.284 32.500 -0.004 0.000 1.474 451 K HN 0.298 nan 8.250 nan 0.000 0.295 452 V N 2.739 122.584 119.914 -0.115 0.000 2.614 452 V HA 0.009 4.165 4.120 0.060 0.000 0.291 452 V C 0.773 176.589 176.094 -0.464 0.000 1.049 452 V CA -0.543 61.479 62.300 -0.464 0.000 1.038 452 V CB 0.772 31.986 31.823 -1.013 0.000 0.980 452 V HN 0.578 nan 8.190 nan 0.000 0.481 453 K N 4.517 124.669 120.400 -0.413 0.000 2.686 453 K HA 0.022 4.378 4.320 0.060 0.000 0.244 453 K C 0.560 177.219 176.600 0.099 0.000 1.262 453 K CA 0.234 56.430 56.287 -0.153 0.000 1.199 453 K CB -0.217 32.156 32.500 -0.211 0.000 1.428 453 K HN 0.717 nan 8.250 nan 0.000 0.247 454 W N 1.686 123.112 121.300 0.211 0.000 2.308 454 W HA -0.280 4.417 4.660 0.061 0.000 0.301 454 W C 2.026 178.619 176.519 0.123 0.000 1.220 454 W CA 1.015 58.464 57.345 0.172 0.000 1.240 454 W CB -0.429 29.146 29.460 0.191 0.000 1.142 454 W HN 0.518 nan 8.180 nan 0.000 0.521 455 N N 0.220 119.119 118.700 0.330 0.000 2.430 455 N HA -0.175 4.601 4.740 0.060 0.000 0.186 455 N C 0.659 176.274 175.510 0.176 0.000 1.032 455 N CA 1.806 54.983 53.050 0.211 0.000 0.893 455 N CB -0.819 37.765 38.487 0.162 0.000 0.957 455 N HN 0.178 nan 8.380 nan 0.000 0.442 456 D N -0.117 120.422 120.400 0.232 0.000 2.354 456 D HA 0.175 4.851 4.640 0.060 0.000 0.209 456 D C 1.390 177.785 176.300 0.158 0.000 1.015 456 D CA 0.054 54.192 54.000 0.231 0.000 0.867 456 D CB 0.611 41.621 40.800 0.350 0.000 0.933 456 D HN 0.369 nan 8.370 nan 0.000 0.520 457 I N -0.367 120.282 120.570 0.130 0.000 4.456 457 I HA 0.127 4.333 4.170 0.060 0.000 0.329 457 I C -0.474 175.642 176.117 -0.002 0.000 1.313 457 I CA 0.089 61.365 61.300 -0.041 0.000 1.205 457 I CB 0.869 38.717 38.000 -0.252 0.000 1.179 457 I HN -0.262 nan 8.210 nan 0.000 0.419 458 L N 2.499 123.754 121.223 0.053 0.000 2.312 458 L HA 0.260 4.636 4.340 0.060 0.000 0.281 458 L C -0.139 176.732 176.870 0.001 0.000 1.070 458 L CA -0.846 53.990 54.840 -0.006 0.000 0.805 458 L CB 0.815 42.837 42.059 -0.063 0.000 1.174 458 L HN 0.185 nan 8.230 nan 0.000 0.434 459 D N 0.942 121.333 120.400 -0.014 0.000 2.376 459 D HA -0.039 4.637 4.640 0.060 0.000 0.268 459 D C 0.948 177.245 176.300 -0.005 0.000 1.252 459 D CA -0.321 53.676 54.000 -0.005 0.000 1.041 459 D CB 0.354 41.152 40.800 -0.004 0.000 1.109 459 D HN 0.677 nan 8.370 nan 0.000 0.552 460 E N -0.899 119.301 120.200 -0.001 0.000 2.204 460 E HA -0.198 4.188 4.350 0.060 0.000 0.195 460 E C 0.792 177.388 176.600 -0.006 0.000 0.990 460 E CA 0.853 57.254 56.400 0.001 0.000 0.821 460 E CB -0.492 29.210 29.700 0.003 0.000 0.750 460 E HN 0.317 nan 8.360 nan 0.000 0.477 461 N N 0.636 119.327 118.700 -0.015 0.000 2.383 461 N HA 0.048 4.824 4.740 0.060 0.000 0.192 461 N C 0.831 176.316 175.510 -0.042 0.000 1.141 461 N CA 0.853 53.889 53.050 -0.023 0.000 0.851 461 N CB 1.092 39.565 38.487 -0.023 0.000 0.976 461 N HN 0.441 nan 8.380 nan 0.000 0.465 462 G N 1.022 109.791 108.800 -0.052 0.000 2.147 462 G HA2 -0.288 3.708 3.960 0.060 0.000 0.244 462 G HA3 -0.288 3.708 3.960 0.060 0.000 0.244 462 G C -0.148 174.658 174.900 -0.157 0.000 1.005 462 G CA 0.080 45.118 45.100 -0.103 0.000 0.713 462 G HN 0.333 nan 8.290 nan 0.000 0.515 463 K N -0.394 119.944 120.400 -0.102 0.000 2.207 463 K HA 0.662 5.018 4.320 0.060 0.000 0.255 463 K C 0.619 177.187 176.600 -0.054 0.000 0.941 463 K CA -1.003 55.229 56.287 -0.093 0.000 0.825 463 K CB 1.824 34.289 32.500 -0.058 0.000 1.119 463 K HN 0.121 nan 8.250 nan 0.000 0.430 464 L N 3.480 124.677 121.223 -0.043 0.000 2.499 464 L HA 0.045 4.421 4.340 0.060 0.000 0.273 464 L C 1.266 178.213 176.870 0.129 0.000 1.195 464 L CA 0.439 55.291 54.840 0.021 0.000 0.882 464 L CB 0.288 42.369 42.059 0.037 0.000 1.133 464 L HN 0.570 nan 8.230 nan 0.000 0.483 465 R N 3.640 124.160 120.500 0.033 0.000 2.290 465 R HA 0.336 4.712 4.340 0.060 0.000 0.197 465 R C -0.258 175.849 176.300 -0.323 0.000 0.913 465 R CA 0.160 56.225 56.100 -0.059 0.000 1.040 465 R CB 0.265 30.500 30.300 -0.109 0.000 0.992 465 R HN 0.484 nan 8.270 nan 0.000 0.500 466 L N -0.812 120.291 121.223 -0.200 0.000 2.322 466 L HA 0.385 4.761 4.340 0.060 0.000 0.252 466 L C -0.218 176.615 176.870 -0.063 0.000 1.055 466 L CA -0.954 53.702 54.840 -0.307 0.000 0.849 466 L CB 2.263 44.102 42.059 -0.368 0.000 1.446 466 L HN -0.121 nan 8.230 nan 0.000 0.416 467 S N 0.218 115.817 115.700 -0.168 0.000 2.681 467 S HA 0.651 5.157 4.470 0.060 0.000 0.270 467 S C -0.596 173.918 174.600 -0.144 0.000 1.209 467 S CA -0.508 57.556 58.200 -0.227 0.000 0.988 467 S CB 0.892 63.576 63.200 -0.860 0.000 1.006 467 S HN 0.253 nan 8.310 nan 0.000 0.558 468 L N 1.114 122.378 121.223 0.068 0.000 2.356 468 L HA 0.565 4.941 4.340 0.060 0.000 0.277 468 L C 0.392 177.499 176.870 0.396 0.000 0.996 468 L CA -0.690 54.260 54.840 0.183 0.000 0.822 468 L CB 1.608 43.797 42.059 0.216 0.000 1.256 468 L HN 0.728 nan 8.230 nan 0.000 0.413 469 G N 4.499 113.412 108.800 0.188 0.000 2.347 469 G HA2 0.571 4.567 3.960 0.060 0.000 0.314 469 G HA3 0.571 4.567 3.960 0.060 0.000 0.314 469 G C -0.509 174.640 174.900 0.416 0.000 1.126 469 G CA -0.457 44.739 45.100 0.159 0.000 0.929 469 G HN 0.427 nan 8.290 nan 0.000 0.441 470 L N 3.113 124.631 121.223 0.492 0.000 2.268 470 L HA 0.346 4.722 4.340 0.060 0.000 0.289 470 L C -0.367 176.699 176.870 0.326 0.000 1.064 470 L CA -0.741 54.348 54.840 0.415 0.000 0.824 470 L CB 0.910 43.161 42.059 0.320 0.000 1.202 470 L HN 0.505 nan 8.230 nan 0.000 0.433 471 F N 4.319 124.419 119.950 0.249 0.000 2.411 471 F HA 0.500 5.063 4.527 0.060 0.000 0.355 471 F C 1.025 176.690 175.800 -0.225 0.000 1.117 471 F CA -0.249 57.733 58.000 -0.029 0.000 1.139 471 F CB 0.963 40.076 39.000 0.189 0.000 1.120 471 F HN 0.706 nan 8.300 nan 0.000 0.493 472 A N 5.941 127.990 122.820 -1.285 0.000 2.610 472 A HA -0.189 4.167 4.320 0.060 0.000 0.299 472 A C -1.931 175.285 177.584 -0.613 0.000 1.487 472 A CA 0.561 51.940 52.037 -1.096 0.000 0.743 472 A CB -2.035 16.171 19.000 -1.324 0.000 1.070 472 A HN 0.663 nan 8.150 nan 0.000 0.439 473 P HA -0.165 nan 4.420 nan 0.000 0.223 473 P C 1.176 178.282 177.300 -0.323 0.000 1.151 473 P CA 1.240 64.114 63.100 -0.377 0.000 0.787 473 P CB -0.256 31.247 31.700 -0.329 0.000 0.788 474 D N -0.341 119.754 120.400 -0.508 0.000 2.271 474 D HA -0.162 4.514 4.640 0.060 0.000 0.207 474 D C 1.054 177.155 176.300 -0.331 0.000 0.983 474 D CA 1.162 54.795 54.000 -0.612 0.000 0.878 474 D CB -1.360 38.776 40.800 -1.107 0.000 0.920 474 D HN 0.102 nan 8.370 nan 0.000 0.479 475 T N 1.580 115.928 114.554 -0.344 0.000 2.751 475 T HA -0.210 4.176 4.350 0.060 0.000 0.268 475 T C 1.934 176.517 174.700 -0.195 0.000 1.045 475 T CA 0.916 62.853 62.100 -0.272 0.000 1.142 475 T CB -0.412 68.283 68.868 -0.288 0.000 0.851 475 T HN 0.305 nan 8.240 nan 0.000 0.474 476 I N 1.664 122.141 120.570 -0.155 0.000 2.423 476 I HA -0.223 3.983 4.170 0.060 0.000 0.254 476 I C 2.585 178.709 176.117 0.012 0.000 1.151 476 I CA 1.547 62.789 61.300 -0.096 0.000 1.421 476 I CB -0.279 37.690 38.000 -0.052 0.000 1.079 476 I HN 0.407 nan 8.210 nan 0.000 0.431 477 T N -2.376 112.210 114.554 0.053 0.000 2.929 477 T HA -0.160 4.226 4.350 0.060 0.000 0.271 477 T C 1.850 176.522 174.700 -0.048 0.000 1.085 477 T CA 1.312 63.430 62.100 0.031 0.000 1.125 477 T CB -0.639 68.175 68.868 -0.090 0.000 0.874 477 T HN 0.502 nan 8.240 nan 0.000 0.494 478 S N 0.242 115.890 115.700 -0.086 0.000 2.558 478 S HA 0.179 4.685 4.470 0.060 0.000 0.217 478 S C 1.655 176.205 174.600 -0.082 0.000 0.975 478 S CA -0.235 57.909 58.200 -0.093 0.000 0.912 478 S CB -0.506 62.623 63.200 -0.117 0.000 0.776 478 S HN 0.331 nan 8.310 nan 0.000 0.526 479 L N 1.589 122.763 121.223 -0.082 0.000 2.313 479 L HA 0.391 4.767 4.340 0.060 0.000 0.214 479 L C 1.320 178.176 176.870 -0.024 0.000 1.119 479 L CA 0.903 55.697 54.840 -0.077 0.000 0.809 479 L CB -0.676 41.305 42.059 -0.130 0.000 0.933 479 L HN 0.529 nan 8.230 nan 0.000 0.449 480 G N -2.210 106.586 108.800 -0.008 0.000 2.571 480 G HA2 0.376 4.372 3.960 0.060 0.000 0.304 480 G HA3 0.376 4.372 3.960 0.060 0.000 0.304 480 G C 0.302 175.200 174.900 -0.004 0.000 1.314 480 G CA -0.486 44.621 45.100 0.011 0.000 0.975 480 G HN -0.255 nan 8.290 nan 0.000 0.485 481 K N -0.196 120.206 120.400 0.003 0.000 2.217 481 K HA 0.021 4.377 4.320 0.060 0.000 0.202 481 K C 1.470 178.066 176.600 -0.007 0.000 1.051 481 K CA 1.042 57.326 56.287 -0.004 0.000 0.952 481 K CB -0.036 32.468 32.500 0.006 0.000 0.736 481 K HN 0.689 nan 8.250 nan 0.000 0.453 482 T N -4.056 110.500 114.554 0.004 0.000 2.940 482 T HA 0.489 4.875 4.350 0.060 0.000 0.288 482 T C 1.406 176.061 174.700 -0.075 0.000 1.045 482 T CA -0.386 61.717 62.100 0.004 0.000 1.018 482 T CB 1.896 70.806 68.868 0.071 0.000 1.151 482 T HN 0.036 nan 8.240 nan 0.000 0.529 483 G N 0.313 108.973 108.800 -0.234 0.000 2.442 483 G HA2 -0.166 3.830 3.960 0.060 0.000 0.219 483 G HA3 -0.166 3.830 3.960 0.060 0.000 0.219 483 G C 1.087 175.882 174.900 -0.175 0.000 1.141 483 G CA 0.920 45.628 45.100 -0.655 0.000 0.763 483 G HN 0.838 nan 8.290 nan 0.000 0.554 484 E N 0.872 121.107 120.200 0.058 0.000 2.085 484 E HA -0.089 4.297 4.350 0.060 0.000 0.194 484 E C 2.173 178.895 176.600 0.204 0.000 0.994 484 E CA 1.322 57.866 56.400 0.239 0.000 0.801 484 E CB -0.120 29.727 29.700 0.245 0.000 0.743 484 E HN 0.286 nan 8.360 nan 0.000 0.453 485 D N -0.376 120.092 120.400 0.114 0.000 2.149 485 D HA -0.187 4.489 4.640 0.060 0.000 0.198 485 D C 1.704 178.044 176.300 0.066 0.000 0.990 485 D CA 0.852 54.903 54.000 0.086 0.000 0.839 485 D CB -0.377 40.459 40.800 0.060 0.000 0.948 485 D HN 0.233 nan 8.370 nan 0.000 0.460 486 Y N 1.773 122.019 120.300 -0.089 0.000 2.081 486 Y HA -0.296 4.290 4.550 0.060 0.000 0.280 486 Y C 2.362 178.188 175.900 -0.122 0.000 1.163 486 Y CA 1.872 59.863 58.100 -0.182 0.000 1.135 486 Y CB -0.518 37.707 38.460 -0.393 0.000 0.970 486 Y HN 0.144 nan 8.280 nan 0.000 0.498 487 H N 0.220 119.223 119.070 -0.111 0.000 2.357 487 H HA -0.069 4.523 4.556 0.060 0.000 0.301 487 H C 2.115 177.370 175.328 -0.122 0.000 1.082 487 H CA 1.684 57.628 56.048 -0.173 0.000 1.342 487 H CB -0.118 29.708 29.762 0.108 0.000 1.389 487 H HN 0.423 nan 8.280 nan 0.000 0.511 488 K N 0.473 120.915 120.400 0.070 0.000 2.097 488 K HA -0.100 4.257 4.320 0.060 0.000 0.206 488 K C 1.938 178.551 176.600 0.021 0.000 1.049 488 K CA 0.899 57.217 56.287 0.052 0.000 0.933 488 K CB 0.160 32.705 32.500 0.074 0.000 0.717 488 K HN 0.200 nan 8.250 nan 0.000 0.442 489 N N 0.983 119.698 118.700 0.026 0.000 2.171 489 N HA -0.119 4.657 4.740 0.060 0.000 0.184 489 N C 1.588 177.164 175.510 0.109 0.000 1.021 489 N CA 0.926 54.047 53.050 0.118 0.000 0.854 489 N CB -0.029 38.562 38.487 0.173 0.000 0.994 489 N HN 0.186 nan 8.380 nan 0.000 0.426 490 E N 1.283 121.468 120.200 -0.024 0.000 2.118 490 E HA -0.162 4.224 4.350 0.060 0.000 0.195 490 E C 1.136 177.862 176.600 0.210 0.000 0.992 490 E CA 0.849 57.317 56.400 0.113 0.000 0.804 490 E CB -0.257 29.421 29.700 -0.036 0.000 0.741 490 E HN 0.372 nan 8.360 nan 0.000 0.458 491 D N 0.680 121.185 120.400 0.174 0.000 2.116 491 D HA -0.157 4.519 4.640 0.060 0.000 0.193 491 D C 2.161 178.433 176.300 -0.046 0.000 0.998 491 D CA 0.859 54.932 54.000 0.123 0.000 0.836 491 D CB -0.351 40.505 40.800 0.094 0.000 0.951 491 D HN 0.238 nan 8.370 nan 0.000 0.449 492 I N -0.040 120.416 120.570 -0.191 0.000 2.226 492 I HA -0.248 3.958 4.170 0.060 0.000 0.245 492 I C 2.274 178.200 176.117 -0.318 0.000 1.100 492 I CA 0.659 61.636 61.300 -0.538 0.000 1.374 492 I CB -0.208 37.038 38.000 -1.256 0.000 1.057 492 I HN -0.105 nan 8.210 nan 0.000 0.413 493 F N 1.038 120.852 119.950 -0.227 0.000 2.075 493 F HA -0.229 4.333 4.527 0.059 0.000 0.297 493 F C 2.066 177.822 175.800 -0.074 0.000 1.113 493 F CA 1.837 59.810 58.000 -0.046 0.000 1.218 493 F CB -0.295 38.615 39.000 -0.150 0.000 0.984 493 F HN -0.122 nan 8.300 nan 0.000 0.472 494 F N -1.112 118.857 119.950 0.032 0.000 2.473 494 F HA 0.010 4.572 4.527 0.059 0.000 0.294 494 F C 2.317 177.817 175.800 -0.501 0.000 1.103 494 F CA 1.269 59.058 58.000 -0.352 0.000 1.442 494 F CB -0.569 37.796 39.000 -1.059 0.000 1.097 494 F HN -0.148 nan 8.300 nan 0.000 0.547 495 T N -1.476 112.973 114.554 -0.174 0.000 3.046 495 T HA 0.492 4.878 4.350 0.060 0.000 0.242 495 T C 0.709 175.342 174.700 -0.112 0.000 1.018 495 T CA 0.875 62.912 62.100 -0.104 0.000 1.131 495 T CB 0.136 69.024 68.868 0.033 0.000 0.904 495 T HN 0.340 nan 8.240 nan 0.000 0.459 496 G N -0.343 108.390 108.800 -0.112 0.000 2.440 496 G HA2 -0.062 3.934 3.960 0.060 0.000 0.684 496 G HA3 -0.062 3.934 3.960 0.060 0.000 0.684 496 G C -0.246 174.583 174.900 -0.119 0.000 1.309 496 G CA -0.603 44.429 45.100 -0.112 0.000 0.931 496 G HN 0.100 nan 8.290 nan 0.000 0.612 497 Y N 0.978 121.245 120.300 -0.055 0.000 2.274 497 Y HA -0.152 4.434 4.550 0.059 0.000 0.290 497 Y C 3.155 179.028 175.900 -0.046 0.000 1.145 497 Y CA 2.320 60.376 58.100 -0.072 0.000 1.203 497 Y CB 0.066 38.477 38.460 -0.081 0.000 0.984 497 Y HN 0.669 nan 8.280 nan 0.000 0.533 498 Q N 0.296 120.156 119.800 0.100 0.000 2.291 498 Q HA -0.026 4.350 4.340 0.060 0.000 0.206 498 Q C 1.786 177.830 176.000 0.074 0.000 0.976 498 Q CA 1.353 57.193 55.803 0.060 0.000 0.875 498 Q CB -0.766 27.983 28.738 0.019 0.000 0.927 498 Q HN 0.534 nan 8.270 nan 0.000 0.450 499 G N 0.892 109.736 108.800 0.074 0.000 2.159 499 G HA2 -0.250 3.746 3.960 0.060 0.000 0.256 499 G HA3 -0.250 3.746 3.960 0.060 0.000 0.256 499 G C -0.489 174.514 174.900 0.173 0.000 0.977 499 G CA 0.364 45.539 45.100 0.125 0.000 0.652 499 G HN 0.587 nan 8.290 nan 0.000 0.531 500 D N -0.571 119.900 120.400 0.119 0.000 2.855 500 D HA 0.410 5.086 4.640 0.060 0.000 0.241 500 D C -1.475 174.843 176.300 0.030 0.000 1.277 500 D CA -1.442 52.636 54.000 0.129 0.000 0.918 500 D CB 2.142 43.023 40.800 0.134 0.000 1.462 500 D HN -0.003 nan 8.370 nan 0.000 0.559 501 P HA -0.084 nan 4.420 nan 0.000 0.228 501 P C 1.055 178.257 177.300 -0.164 0.000 1.151 501 P CA 0.867 63.965 63.100 -0.003 0.000 0.770 501 P CB 0.017 31.837 31.700 0.199 0.000 0.786 502 T N -4.145 110.218 114.554 -0.319 0.000 3.100 502 T HA 0.221 4.607 4.350 0.060 0.000 0.253 502 T C 1.113 175.702 174.700 -0.185 0.000 1.118 502 T CA 0.061 61.926 62.100 -0.392 0.000 1.058 502 T CB -0.485 67.957 68.868 -0.710 0.000 0.953 502 T HN 0.010 nan 8.240 nan 0.000 0.515 503 G N 0.561 109.297 108.800 -0.107 0.000 2.488 503 G HA2 0.575 4.571 3.960 0.060 0.000 0.318 503 G HA3 0.575 4.571 3.960 0.060 0.000 0.318 503 G C -0.833 174.033 174.900 -0.058 0.000 1.188 503 G CA -0.709 44.358 45.100 -0.056 0.000 0.944 503 G HN 0.198 nan 8.290 nan 0.000 0.495 504 Q N -0.021 119.752 119.800 -0.045 0.000 2.214 504 Q HA 0.238 4.614 4.340 0.060 0.000 0.251 504 Q C 0.163 176.121 176.000 -0.070 0.000 0.936 504 Q CA -0.736 55.038 55.803 -0.048 0.000 0.894 504 Q CB 1.895 30.612 28.738 -0.035 0.000 1.252 504 Q HN 0.676 nan 8.270 nan 0.000 0.448 505 K N 2.472 122.801 120.400 -0.119 0.000 2.543 505 K HA -0.027 4.329 4.320 0.060 0.000 0.279 505 K C -2.105 174.398 176.600 -0.161 0.000 1.001 505 K CA -0.667 55.487 56.287 -0.221 0.000 1.088 505 K CB 0.016 32.168 32.500 -0.579 0.000 0.863 505 K HN 0.219 nan 8.250 nan 0.000 0.488 506 P HA 0.010 nan 4.420 nan 0.000 0.269 506 P C 0.478 177.700 177.300 -0.132 0.000 1.209 506 P CA -0.106 62.934 63.100 -0.101 0.000 0.776 506 P CB 0.898 32.546 31.700 -0.087 0.000 0.876 507 G N 2.039 110.780 108.800 -0.098 0.000 2.479 507 G HA2 -0.220 3.776 3.960 0.060 0.000 0.220 507 G HA3 -0.220 3.776 3.960 0.060 0.000 0.220 507 G C 0.732 175.574 174.900 -0.096 0.000 1.115 507 G CA 0.640 45.686 45.100 -0.089 0.000 0.757 507 G HN 0.635 nan 8.290 nan 0.000 0.560 508 D N -0.758 119.575 120.400 -0.112 0.000 2.342 508 D HA 0.113 4.789 4.640 0.060 0.000 0.221 508 D C 0.444 176.648 176.300 -0.161 0.000 1.101 508 D CA 0.059 53.988 54.000 -0.118 0.000 0.837 508 D CB 0.277 41.012 40.800 -0.109 0.000 0.938 508 D HN -0.025 nan 8.370 nan 0.000 0.508 509 K N 0.361 120.649 120.400 -0.186 0.000 2.267 509 K HA 0.282 4.638 4.320 0.060 0.000 0.246 509 K C 0.088 176.609 176.600 -0.131 0.000 0.954 509 K CA -0.599 55.565 56.287 -0.204 0.000 0.824 509 K CB 2.087 34.428 32.500 -0.266 0.000 1.167 509 K HN -0.239 nan 8.250 nan 0.000 0.431 510 D N -0.327 120.067 120.400 -0.010 0.000 2.379 510 D HA -0.042 4.635 4.640 0.060 0.000 0.218 510 D C 0.070 176.432 176.300 0.103 0.000 1.006 510 D CA 0.275 54.312 54.000 0.063 0.000 0.893 510 D CB 0.293 41.212 40.800 0.198 0.000 1.019 510 D HN 0.460 nan 8.370 nan 0.000 0.503 511 W N 1.925 123.259 121.300 0.055 0.000 2.253 511 W HA 0.117 4.812 4.660 0.059 0.000 0.322 511 W C -1.021 175.322 176.519 -0.293 0.000 1.342 511 W CA -0.164 57.244 57.345 0.105 0.000 1.218 511 W CB 0.219 29.809 29.460 0.218 0.000 1.205 511 W HN -0.132 nan 8.180 nan 0.000 0.551 512 Y N 4.017 123.542 120.300 -1.293 0.000 2.320 512 Y HA 0.336 4.922 4.550 0.060 0.000 0.334 512 Y C 1.267 176.322 175.900 -1.409 0.000 1.055 512 Y CA -0.114 57.236 58.100 -1.251 0.000 1.143 512 Y CB 0.960 38.533 38.460 -1.478 0.000 1.193 512 Y HN 0.504 nan 8.280 nan 0.000 0.477 513 G N 3.162 111.606 108.800 -0.593 0.000 2.491 513 G HA2 0.057 4.053 3.960 0.060 0.000 0.238 513 G HA3 0.057 4.053 3.960 0.060 0.000 0.238 513 G C 0.995 175.618 174.900 -0.461 0.000 1.277 513 G CA -0.447 44.409 45.100 -0.406 0.000 0.851 513 G HN 0.715 nan 8.290 nan 0.000 0.573 514 I N 2.164 122.482 120.570 -0.419 0.000 2.264 514 I HA -0.257 3.949 4.170 0.060 0.000 0.248 514 I C 3.009 178.895 176.117 -0.385 0.000 1.111 514 I CA 1.813 62.912 61.300 -0.335 0.000 1.382 514 I CB -1.358 36.556 38.000 -0.143 0.000 1.060 514 I HN 0.570 nan 8.210 nan 0.000 0.418 515 A N 0.542 123.030 122.820 -0.554 0.000 2.019 515 A HA -0.255 4.101 4.320 0.060 0.000 0.219 515 A C 2.173 179.653 177.584 -0.174 0.000 1.164 515 A CA 1.897 53.683 52.037 -0.418 0.000 0.644 515 A CB -1.219 17.610 19.000 -0.285 0.000 0.805 515 A HN 0.567 nan 8.150 nan 0.000 0.449 516 N N -0.833 117.745 118.700 -0.205 0.000 2.205 516 N HA -0.078 4.698 4.740 0.060 0.000 0.186 516 N C 1.330 176.735 175.510 -0.175 0.000 1.015 516 N CA 1.251 54.204 53.050 -0.161 0.000 0.862 516 N CB -0.081 38.320 38.487 -0.144 0.000 0.986 516 N HN 0.519 nan 8.380 nan 0.000 0.429 517 L N -0.581 120.519 121.223 -0.205 0.000 2.717 517 L HA 0.299 4.675 4.340 0.060 0.000 0.239 517 L C -0.039 176.779 176.870 -0.087 0.000 1.086 517 L CA -0.201 54.524 54.840 -0.192 0.000 0.897 517 L CB 1.147 43.041 42.059 -0.275 0.000 1.214 517 L HN -0.021 nan 8.230 nan 0.000 0.508 518 V N -0.325 119.572 119.914 -0.028 0.000 2.709 518 V HA 0.813 4.969 4.120 0.060 0.000 0.308 518 V C -0.211 176.009 176.094 0.209 0.000 1.062 518 V CA -0.719 61.632 62.300 0.084 0.000 0.901 518 V CB 1.709 33.620 31.823 0.146 0.000 1.003 518 V HN 0.065 nan 8.190 nan 0.000 0.425 519 A N 4.490 127.420 122.820 0.183 0.000 2.462 519 A HA 0.524 4.880 4.320 0.060 0.000 0.243 519 A C 0.134 177.901 177.584 0.305 0.000 1.076 519 A CA 0.354 52.524 52.037 0.221 0.000 0.773 519 A CB -0.172 18.905 19.000 0.129 0.000 1.010 519 A HN 1.246 nan 8.150 nan 0.000 0.493 520 D N 0.799 121.379 120.400 0.299 0.000 2.354 520 D HA 0.560 5.236 4.640 0.060 0.000 0.247 520 D C 0.124 176.469 176.300 0.075 0.000 1.138 520 D CA -0.316 53.732 54.000 0.081 0.000 0.958 520 D CB 0.641 41.418 40.800 -0.038 0.000 1.144 520 D HN 0.528 nan 8.370 nan 0.000 0.458 521 R N -0.824 119.674 120.500 -0.004 0.000 2.867 521 R HA 0.744 5.120 4.340 0.060 0.000 0.268 521 R C -1.136 175.150 176.300 -0.023 0.000 1.014 521 R CA -1.080 55.040 56.100 0.033 0.000 0.946 521 R CB 2.342 32.686 30.300 0.074 0.000 1.208 521 R HN 0.582 nan 8.270 nan 0.000 0.477 522 T N 0.948 115.501 114.554 -0.001 0.000 2.971 522 T HA 0.367 4.753 4.350 0.060 0.000 0.304 522 T C -2.360 172.330 174.700 -0.016 0.000 1.038 522 T CA -1.855 60.224 62.100 -0.037 0.000 1.007 522 T CB 1.668 70.488 68.868 -0.080 0.000 1.055 522 T HN 0.358 nan 8.240 nan 0.000 0.451 523 P HA 0.259 nan 4.420 nan 0.000 0.255 523 P C 0.285 177.575 177.300 -0.017 0.000 1.248 523 P CA -0.118 62.986 63.100 0.007 0.000 0.807 523 P CB -0.004 31.720 31.700 0.040 0.000 1.150 524 A N 0.845 123.572 122.820 -0.154 0.000 3.030 524 A HA 0.375 4.731 4.320 0.060 0.000 0.273 524 A C 0.065 177.530 177.584 -0.198 0.000 1.841 524 A CA 0.147 51.971 52.037 -0.354 0.000 1.479 524 A CB -1.042 17.306 19.000 -1.088 0.000 1.048 524 A HN 0.039 nan 8.150 nan 0.000 0.612 525 V N 0.707 120.579 119.914 -0.070 0.000 2.841 525 V HA 0.868 5.024 4.120 0.060 0.000 0.310 525 V C 0.636 176.713 176.094 -0.029 0.000 1.090 525 V CA 0.311 62.577 62.300 -0.056 0.000 0.930 525 V CB 1.306 33.111 31.823 -0.029 0.000 1.014 525 V HN 1.650 nan 8.190 nan 0.000 0.425 526 G N 4.263 113.036 108.800 -0.045 0.000 2.341 526 G HA2 -0.137 3.860 3.960 0.060 0.000 0.196 526 G HA3 -0.137 3.860 3.960 0.060 0.000 0.196 526 G C -0.056 174.819 174.900 -0.041 0.000 1.231 526 G CA 0.231 45.312 45.100 -0.032 0.000 1.155 526 G HN 0.628 nan 8.290 nan 0.000 0.529 527 N N 0.093 118.777 118.700 -0.028 0.000 2.254 527 N HA 0.347 5.123 4.740 0.060 0.000 0.190 527 N C -0.055 175.442 175.510 -0.021 0.000 1.107 527 N CA 1.133 54.163 53.050 -0.033 0.000 0.869 527 N CB 0.913 39.382 38.487 -0.030 0.000 0.983 527 N HN 0.555 nan 8.380 nan 0.000 0.487 528 T N -0.023 114.531 114.554 0.000 0.000 2.921 528 T HA 0.427 4.814 4.350 0.060 0.000 0.297 528 T C -1.768 172.984 174.700 0.086 0.000 1.013 528 T CA -0.509 61.600 62.100 0.014 0.000 0.990 528 T CB 1.442 70.300 68.868 -0.016 0.000 1.023 528 T HN -0.023 nan 8.240 nan 0.000 0.447 529 F N 2.051 121.942 119.950 -0.099 0.000 2.569 529 F HA 0.728 5.291 4.527 0.059 0.000 0.312 529 F C -0.650 175.075 175.800 -0.124 0.000 1.109 529 F CA -0.315 57.613 58.000 -0.120 0.000 0.919 529 F CB 2.253 41.160 39.000 -0.153 0.000 1.211 529 F HN 0.515 nan 8.300 nan 0.000 0.446 530 T N 3.655 117.578 114.554 -1.052 0.000 2.900 530 T HA 0.671 5.057 4.350 0.060 0.000 0.303 530 T C -1.554 172.504 174.700 -1.070 0.000 1.142 530 T CA -0.303 61.276 62.100 -0.869 0.000 1.007 530 T CB 1.687 70.316 68.868 -0.398 0.000 1.156 530 T HN 0.915 nan 8.240 nan 0.000 0.490 531 T N 0.576 114.650 114.554 -0.799 0.000 2.942 531 T HA 0.535 4.921 4.350 0.060 0.000 0.327 531 T C -0.079 174.208 174.700 -0.689 0.000 1.360 531 T CA -0.061 61.634 62.100 -0.675 0.000 1.055 531 T CB 1.155 69.624 68.868 -0.665 0.000 1.261 531 T HN 0.670 nan 8.240 nan 0.000 0.485 532 S N 2.275 117.632 115.700 -0.570 0.000 2.749 532 S HA 0.330 4.836 4.470 0.060 0.000 0.246 532 S C 0.096 174.438 174.600 -0.430 0.000 1.023 532 S CA -0.426 57.458 58.200 -0.527 0.000 1.012 532 S CB -0.668 62.435 63.200 -0.161 0.000 0.942 532 S HN 0.903 nan 8.310 nan 0.000 0.531 533 F N 0.309 120.234 119.950 -0.041 0.000 2.999 533 F HA -0.149 4.416 4.527 0.063 0.000 0.291 533 F C 0.315 175.989 175.800 -0.210 0.000 0.824 533 F CA -0.073 57.856 58.000 -0.118 0.000 1.255 533 F CB -2.640 36.268 39.000 -0.153 0.000 1.333 533 F HN 0.443 nan 8.300 nan 0.000 0.502 534 N N 1.656 120.306 118.700 -0.083 0.000 2.416 534 N HA 0.097 4.873 4.740 0.060 0.000 0.265 534 N C 1.172 176.675 175.510 -0.012 0.000 1.195 534 N CA 1.070 54.074 53.050 -0.077 0.000 0.943 534 N CB 0.914 39.314 38.487 -0.146 0.000 1.115 534 N HN 0.383 nan 8.380 nan 0.000 0.481 535 T N 0.325 114.897 114.554 0.031 0.000 3.169 535 T HA 0.214 4.600 4.350 0.060 0.000 0.250 535 T C 1.217 176.028 174.700 0.185 0.000 1.111 535 T CA 0.200 62.373 62.100 0.122 0.000 1.010 535 T CB -0.111 68.872 68.868 0.193 0.000 0.984 535 T HN 0.576 nan 8.240 nan 0.000 0.537 536 G N 1.844 110.749 108.800 0.175 0.000 2.159 536 G HA2 -0.215 3.781 3.960 0.060 0.000 0.256 536 G HA3 -0.215 3.781 3.960 0.060 0.000 0.256 536 G C -0.032 174.881 174.900 0.021 0.000 0.977 536 G CA 0.381 45.603 45.100 0.204 0.000 0.652 536 G HN 1.214 nan 8.290 nan 0.000 0.531 537 H N -2.978 115.797 119.070 -0.492 0.000 2.981 537 H HA 0.726 5.318 4.556 0.061 0.000 0.327 537 H C 0.026 174.744 175.328 -1.016 0.000 1.342 537 H CA -0.798 54.613 56.048 -1.061 0.000 1.123 537 H CB 1.687 31.204 29.762 -0.407 0.000 1.851 537 H HN 1.136 nan 8.280 nan 0.000 0.531 538 G N -0.006 108.031 108.800 -1.272 0.000 2.601 538 G HA2 0.250 4.246 3.960 0.060 0.000 0.291 538 G HA3 0.250 4.246 3.960 0.060 0.000 0.291 538 G C -0.688 173.793 174.900 -0.699 0.000 1.456 538 G CA -0.990 43.724 45.100 -0.643 0.000 0.804 538 G HN 0.582 nan 8.290 nan 0.000 0.499 539 K N -0.527 119.481 120.400 -0.655 0.000 2.243 539 K HA 0.167 4.523 4.320 0.060 0.000 0.201 539 K C 0.667 177.285 176.600 0.030 0.000 1.051 539 K CA 0.904 56.944 56.287 -0.412 0.000 0.970 539 K CB 0.126 32.351 32.500 -0.458 0.000 0.755 539 K HN 0.357 nan 8.250 nan 0.000 0.465 540 K N -1.231 119.308 120.400 0.233 0.000 2.499 540 K HA 0.245 4.601 4.320 0.060 0.000 0.277 540 K C -1.742 175.186 176.600 0.546 0.000 1.025 540 K CA -0.898 55.547 56.287 0.263 0.000 0.900 540 K CB 1.791 34.227 32.500 -0.107 0.000 1.494 540 K HN -0.112 nan 8.250 nan 0.000 0.442 541 W N 2.849 124.195 121.300 0.077 0.000 2.475 541 W HA 0.420 5.117 4.660 0.061 0.000 0.320 541 W C -1.822 174.629 176.519 -0.114 0.000 1.022 541 W CA -1.147 56.235 57.345 0.062 0.000 1.240 541 W CB 0.535 29.819 29.460 -0.294 0.000 1.328 541 W HN 0.401 nan 8.180 nan 0.000 0.439 542 F N 4.213 124.338 119.950 0.290 0.000 2.385 542 F HA 0.447 5.011 4.527 0.062 0.000 0.336 542 F C 0.313 176.195 175.800 0.138 0.000 1.100 542 F CA -0.767 57.316 58.000 0.139 0.000 1.116 542 F CB 1.188 40.176 39.000 -0.020 0.000 1.166 542 F HN -0.168 nan 8.300 nan 0.000 0.511 543 V N 2.691 122.706 119.914 0.168 0.000 2.376 543 V HA 0.220 4.376 4.120 0.060 0.000 0.287 543 V C -0.834 175.139 176.094 -0.201 0.000 1.015 543 V CA -1.058 61.256 62.300 0.024 0.000 0.834 543 V CB 1.093 32.971 31.823 0.092 0.000 1.001 543 V HN 0.773 nan 8.190 nan 0.000 0.428 544 D N 4.644 124.699 120.400 -0.575 0.000 2.686 544 D HA -0.194 4.482 4.640 0.060 0.000 0.235 544 D C 1.330 177.210 176.300 -0.699 0.000 1.160 544 D CA 1.864 55.193 54.000 -1.118 0.000 0.645 544 D CB -1.020 39.492 40.800 -0.480 0.000 1.039 544 D HN 1.373 nan 8.370 nan 0.000 0.423 545 G N -1.230 107.185 108.800 -0.642 0.000 2.176 545 G HA2 -0.359 3.637 3.960 0.060 0.000 0.253 545 G HA3 -0.359 3.637 3.960 0.060 0.000 0.253 545 G C 0.304 175.328 174.900 0.206 0.000 0.979 545 G CA 0.566 45.475 45.100 -0.318 0.000 0.641 545 G HN 0.481 nan 8.290 nan 0.000 0.530 546 K N 0.145 120.645 120.400 0.167 0.000 2.270 546 K HA 0.651 5.007 4.320 0.060 0.000 0.255 546 K C 0.407 177.068 176.600 0.101 0.000 0.936 546 K CA -0.717 55.683 56.287 0.188 0.000 0.809 546 K CB 2.567 35.124 32.500 0.095 0.000 1.131 546 K HN 0.091 nan 8.250 nan 0.000 0.427 547 V N 2.452 122.335 119.914 -0.051 0.000 2.540 547 V HA -0.042 4.114 4.120 0.060 0.000 0.297 547 V C 0.875 176.901 176.094 -0.114 0.000 1.024 547 V CA 0.699 62.802 62.300 -0.329 0.000 1.105 547 V CB 1.061 32.690 31.823 -0.324 0.000 0.938 547 V HN 0.944 nan 8.190 nan 0.000 0.482 548 S N 3.383 119.028 115.700 -0.092 0.000 2.891 548 S HA 0.189 4.695 4.470 0.060 0.000 0.247 548 S C 0.909 175.481 174.600 -0.047 0.000 1.063 548 S CA -0.008 58.187 58.200 -0.010 0.000 0.857 548 S CB 0.182 63.403 63.200 0.034 0.000 0.800 548 S HN 0.704 nan 8.310 nan 0.000 0.540 549 K N 2.143 122.501 120.400 -0.070 0.000 2.281 549 K HA 0.205 4.561 4.320 0.060 0.000 0.272 549 K C -1.136 175.465 176.600 0.001 0.000 1.048 549 K CA -0.102 56.162 56.287 -0.037 0.000 0.898 549 K CB 0.992 33.460 32.500 -0.053 0.000 1.128 549 K HN 0.052 nan 8.250 nan 0.000 0.460 550 D N 2.618 123.016 120.400 -0.003 0.000 2.434 550 D HA 0.030 4.706 4.640 0.060 0.000 0.232 550 D C -0.838 175.487 176.300 0.041 0.000 1.166 550 D CA 0.078 54.072 54.000 -0.011 0.000 0.830 550 D CB 0.232 41.023 40.800 -0.015 0.000 0.960 550 D HN 0.506 nan 8.370 nan 0.000 0.497 551 S N -1.594 114.170 115.700 0.106 0.000 2.625 551 S HA 0.392 4.898 4.470 0.060 0.000 0.271 551 S C -0.492 174.265 174.600 0.262 0.000 1.161 551 S CA -1.216 57.067 58.200 0.138 0.000 0.820 551 S CB 1.320 64.590 63.200 0.115 0.000 1.137 551 S HN 0.180 nan 8.310 nan 0.000 0.470 552 E N 1.165 121.490 120.200 0.208 0.000 2.392 552 E HA 0.503 4.889 4.350 0.060 0.000 0.259 552 E C -0.594 176.236 176.600 0.383 0.000 1.108 552 E CA -0.829 55.699 56.400 0.213 0.000 0.916 552 E CB 0.606 30.372 29.700 0.110 0.000 0.989 552 E HN 0.819 nan 8.360 nan 0.000 0.432 553 W N 1.240 122.646 121.300 0.177 0.000 3.275 553 W HA 0.345 5.040 4.660 0.059 0.000 0.306 553 W C -2.181 174.387 176.519 0.083 0.000 1.259 553 W CA -1.043 56.378 57.345 0.126 0.000 1.194 553 W CB 0.150 29.822 29.460 0.353 0.000 1.375 553 W HN 0.767 nan 8.180 nan 0.000 0.564 554 N N 0.827 119.462 118.700 -0.110 0.000 2.430 554 N HA 0.581 5.357 4.740 0.060 0.000 0.290 554 N C -2.331 173.047 175.510 -0.220 0.000 1.063 554 N CA -0.740 52.237 53.050 -0.122 0.000 0.883 554 N CB 1.892 40.297 38.487 -0.136 0.000 1.465 554 N HN 0.424 nan 8.380 nan 0.000 0.493 555 Y N 1.263 121.942 120.300 0.631 0.000 2.520 555 Y HA 0.351 4.937 4.550 0.060 0.000 0.339 555 Y C 0.685 176.818 175.900 0.388 0.000 1.113 555 Y CA -0.886 57.511 58.100 0.495 0.000 1.255 555 Y CB 1.215 39.994 38.460 0.531 0.000 1.099 555 Y HN 0.507 nan 8.280 nan 0.000 0.628 556 R N -0.494 120.214 120.500 0.347 0.000 2.328 556 R HA -0.112 4.264 4.340 0.060 0.000 0.207 556 R C 2.258 178.688 176.300 0.216 0.000 1.056 556 R CA 0.907 57.159 56.100 0.253 0.000 1.016 556 R CB 0.156 30.573 30.300 0.195 0.000 0.872 556 R HN 0.417 nan 8.270 nan 0.000 0.471 557 S N 0.791 116.631 115.700 0.235 0.000 2.402 557 S HA -0.120 4.386 4.470 0.060 0.000 0.233 557 S C 1.851 176.498 174.600 0.079 0.000 1.030 557 S CA 1.581 59.878 58.200 0.161 0.000 1.003 557 S CB -0.055 63.260 63.200 0.192 0.000 0.813 557 S HN 0.352 nan 8.310 nan 0.000 0.477 558 V N -0.127 119.813 119.914 0.045 0.000 3.623 558 V HA 0.356 4.512 4.120 0.060 0.000 0.271 558 V C 0.557 176.528 176.094 -0.206 0.000 1.248 558 V CA -0.091 62.047 62.300 -0.270 0.000 1.156 558 V CB -0.750 30.779 31.823 -0.489 0.000 0.870 558 V HN 0.292 nan 8.190 nan 0.000 0.453 559 S N 1.949 117.650 115.700 0.002 0.000 2.626 559 S HA 0.419 4.925 4.470 0.060 0.000 0.303 559 S C 0.874 175.469 174.600 -0.009 0.000 1.256 559 S CA 0.505 58.735 58.200 0.051 0.000 1.069 559 S CB 0.561 63.865 63.200 0.173 0.000 0.807 559 S HN 0.888 nan 8.310 nan 0.000 0.500 560 G N 1.674 110.467 108.800 -0.011 0.000 2.736 560 G HA2 0.534 4.530 3.960 0.060 0.000 0.229 560 G HA3 0.534 4.530 3.960 0.060 0.000 0.229 560 G C -0.736 174.203 174.900 0.065 0.000 1.380 560 G CA -0.640 44.450 45.100 -0.018 0.000 1.040 560 G HN 0.595 nan 8.290 nan 0.000 0.568 561 V N 1.655 121.626 119.914 0.094 0.000 2.318 561 V HA 0.316 4.472 4.120 0.060 0.000 0.271 561 V C -0.004 176.321 176.094 0.386 0.000 1.030 561 V CA -0.622 61.831 62.300 0.255 0.000 0.844 561 V CB 0.681 32.740 31.823 0.393 0.000 1.015 561 V HN 0.321 nan 8.190 nan 0.000 0.460 562 L N 6.010 127.413 121.223 0.300 0.000 2.454 562 L HA 0.514 4.890 4.340 0.060 0.000 0.256 562 L C -2.137 174.800 176.870 0.111 0.000 1.136 562 L CA -1.884 53.125 54.840 0.282 0.000 0.804 562 L CB 1.033 43.136 42.059 0.073 0.000 1.181 562 L HN 0.351 nan 8.230 nan 0.000 0.469 563 P HA 0.020 nan 4.420 nan 0.000 0.262 563 P C 0.692 177.640 177.300 -0.586 0.000 1.182 563 P CA 0.296 62.928 63.100 -0.781 0.000 0.761 563 P CB 0.397 31.830 31.700 -0.445 0.000 0.795 564 T N 1.407 115.527 114.554 -0.723 0.000 2.737 564 T HA -0.130 4.256 4.350 0.060 0.000 0.269 564 T C 0.238 174.594 174.700 -0.573 0.000 1.040 564 T CA 1.323 62.971 62.100 -0.752 0.000 1.142 564 T CB -0.224 67.859 68.868 -1.308 0.000 0.861 564 T HN 0.437 nan 8.240 nan 0.000 0.456 565 W N 1.272 122.505 121.300 -0.111 0.000 2.600 565 W HA 0.587 5.282 4.660 0.058 0.000 0.325 565 W C -0.146 176.232 176.519 -0.235 0.000 1.034 565 W CA -1.101 56.241 57.345 -0.004 0.000 1.226 565 W CB 0.640 30.225 29.460 0.209 0.000 1.379 565 W HN -0.103 nan 8.180 nan 0.000 0.466 566 R N 2.456 122.874 120.500 -0.137 0.000 2.585 566 R HA 0.282 4.658 4.340 0.060 0.000 0.278 566 R C -1.578 174.466 176.300 -0.426 0.000 1.663 566 R CA -0.296 55.209 56.100 -0.992 0.000 1.592 566 R CB 0.733 30.376 30.300 -1.095 0.000 1.200 566 R HN 0.324 nan 8.270 nan 0.000 0.611 567 W N 1.695 123.140 121.300 0.242 0.000 3.097 567 W HA 0.262 4.964 4.660 0.070 0.000 0.335 567 W C -0.772 175.942 176.519 0.324 0.000 1.114 567 W CA -0.679 56.839 57.345 0.288 0.000 1.231 567 W CB 1.063 30.660 29.460 0.228 0.000 1.388 567 W HN 0.271 nan 8.180 nan 0.000 0.485 568 W N 5.428 126.928 121.300 0.332 0.000 2.311 568 W HA 0.539 5.235 4.660 0.061 0.000 0.317 568 W C -0.857 175.745 176.519 0.139 0.000 1.065 568 W CA -1.216 56.205 57.345 0.125 0.000 1.364 568 W CB 0.528 29.924 29.460 -0.107 0.000 1.233 568 W HN 0.396 nan 8.180 nan 0.000 0.409 569 Q N 3.618 123.649 119.800 0.386 0.000 2.347 569 Q HA 0.465 4.841 4.340 0.060 0.000 0.271 569 Q C -0.262 175.817 176.000 0.131 0.000 1.064 569 Q CA -0.607 55.300 55.803 0.174 0.000 0.800 569 Q CB 2.810 31.653 28.738 0.175 0.000 1.304 569 Q HN 0.419 nan 8.270 nan 0.000 0.438 570 T N -1.657 112.915 114.554 0.030 0.000 2.907 570 T HA 0.798 5.184 4.350 0.060 0.000 0.292 570 T C -0.580 174.127 174.700 0.012 0.000 1.043 570 T CA -0.774 61.349 62.100 0.038 0.000 1.003 570 T CB 2.008 70.892 68.868 0.027 0.000 1.084 570 T HN 0.390 nan 8.240 nan 0.000 0.483 571 S N -0.099 115.610 115.700 0.014 0.000 2.537 571 S HA 0.501 5.008 4.470 0.060 0.000 0.270 571 S C 1.008 175.607 174.600 -0.003 0.000 1.142 571 S CA -0.031 58.161 58.200 -0.013 0.000 0.870 571 S CB 1.503 64.680 63.200 -0.039 0.000 1.112 571 S HN 1.167 nan 8.310 nan 0.000 0.466 572 T N 0.714 115.261 114.554 -0.011 0.000 3.085 572 T HA 0.387 4.773 4.350 0.060 0.000 0.263 572 T C 1.029 175.718 174.700 -0.019 0.000 1.127 572 T CA 0.931 63.027 62.100 -0.006 0.000 1.103 572 T CB -0.167 68.698 68.868 -0.005 0.000 0.921 572 T HN 0.880 nan 8.240 nan 0.000 0.510 573 G N 0.266 109.045 108.800 -0.034 0.000 3.321 573 G HA2 0.492 4.488 3.960 0.060 0.000 0.169 573 G HA3 0.492 4.488 3.960 0.060 0.000 0.169 573 G C -1.310 173.561 174.900 -0.050 0.000 1.153 573 G CA -0.827 44.247 45.100 -0.043 0.000 1.007 573 G HN 0.385 nan 8.290 nan 0.000 0.668 574 E N 0.395 120.552 120.200 -0.071 0.000 2.371 574 E HA 0.421 4.807 4.350 0.060 0.000 0.257 574 E C -0.759 175.784 176.600 -0.095 0.000 1.134 574 E CA 0.087 56.442 56.400 -0.075 0.000 0.919 574 E CB 0.971 30.620 29.700 -0.084 0.000 1.025 574 E HN 0.156 nan 8.360 nan 0.000 0.438 575 K N 1.456 121.809 120.400 -0.079 0.000 2.274 575 K HA 0.318 4.674 4.320 0.060 0.000 0.262 575 K C -0.508 176.026 176.600 -0.110 0.000 0.961 575 K CA -0.506 55.729 56.287 -0.086 0.000 0.833 575 K CB 1.095 33.577 32.500 -0.029 0.000 1.102 575 K HN 0.291 nan 8.250 nan 0.000 0.436 576 L N 2.479 123.602 121.223 -0.166 0.000 2.529 576 L HA 0.046 4.422 4.340 0.060 0.000 0.287 576 L C 0.827 177.635 176.870 -0.103 0.000 1.241 576 L CA 0.115 54.867 54.840 -0.147 0.000 0.857 576 L CB -0.004 41.924 42.059 -0.218 0.000 1.113 576 L HN 0.499 nan 8.230 nan 0.000 0.504 577 R N 2.347 122.787 120.500 -0.100 0.000 2.316 577 R HA 0.392 4.768 4.340 0.060 0.000 0.314 577 R C -0.434 175.707 176.300 -0.264 0.000 1.069 577 R CA -0.266 55.749 56.100 -0.142 0.000 0.959 577 R CB 0.612 30.846 30.300 -0.110 0.000 0.987 577 R HN 0.722 nan 8.270 nan 0.000 0.446 578 A N 5.187 127.717 122.820 -0.483 0.000 2.290 578 A HA 0.372 4.728 4.320 0.060 0.000 0.310 578 A C -0.648 176.362 177.584 -0.956 0.000 1.202 578 A CA -0.460 50.953 52.037 -1.039 0.000 0.837 578 A CB 0.511 18.457 19.000 -1.756 0.000 1.139 578 A HN 0.917 nan 8.150 nan 0.000 0.509 579 E N 1.321 121.065 120.200 -0.760 0.000 2.437 579 E HA 0.412 4.798 4.350 0.060 0.000 0.280 579 E C -1.673 174.856 176.600 -0.119 0.000 1.044 579 E CA -0.893 55.332 56.400 -0.292 0.000 0.826 579 E CB 0.457 30.073 29.700 -0.139 0.000 1.358 579 E HN 0.404 nan 8.360 nan 0.000 0.459 580 Y N 0.696 120.958 120.300 -0.063 0.000 2.346 580 Y HA 0.275 4.860 4.550 0.058 0.000 0.330 580 Y C 0.243 176.019 175.900 -0.207 0.000 1.178 580 Y CA -0.615 57.370 58.100 -0.191 0.000 1.331 580 Y CB 0.545 38.894 38.460 -0.186 0.000 1.253 580 Y HN 0.499 nan 8.280 nan 0.000 0.529 581 D N 2.428 122.720 120.400 -0.181 0.000 2.460 581 D HA 0.191 4.867 4.640 0.060 0.000 0.232 581 D C -0.404 175.736 176.300 -0.266 0.000 1.079 581 D CA -0.360 53.553 54.000 -0.145 0.000 0.864 581 D CB 0.060 40.774 40.800 -0.143 0.000 1.048 581 D HN 0.325 nan 8.370 nan 0.000 0.523 582 F N 1.122 121.082 119.950 0.017 0.000 2.797 582 F HA 0.022 4.585 4.527 0.060 0.000 0.302 582 F C 2.464 178.275 175.800 0.019 0.000 1.130 582 F CA 0.422 58.410 58.000 -0.021 0.000 1.387 582 F CB 0.342 39.285 39.000 -0.094 0.000 1.107 582 F HN 0.363 nan 8.300 nan 0.000 0.577 583 T N -4.131 110.506 114.554 0.137 0.000 3.057 583 T HA 0.075 4.461 4.350 0.060 0.000 0.254 583 T C 0.122 174.916 174.700 0.156 0.000 1.094 583 T CA 0.258 62.456 62.100 0.165 0.000 1.088 583 T CB 0.122 69.056 68.868 0.111 0.000 0.934 583 T HN 0.014 nan 8.240 nan 0.000 0.497 584 D N -0.101 120.235 120.400 -0.106 0.000 2.937 584 D HA 0.663 5.339 4.640 0.060 0.000 0.215 584 D C -1.423 174.566 176.300 -0.519 0.000 1.274 584 D CA -0.269 53.518 54.000 -0.355 0.000 0.869 584 D CB 1.850 42.646 40.800 -0.006 0.000 1.675 584 D HN 0.431 nan 8.370 nan 0.000 0.538 585 A N 2.579 124.720 122.820 -1.132 0.000 2.594 585 A HA 0.494 4.850 4.320 0.060 0.000 0.291 585 A C -1.045 176.010 177.584 -0.882 0.000 1.105 585 A CA -0.636 50.974 52.037 -0.712 0.000 0.694 585 A CB 0.913 19.552 19.000 -0.601 0.000 1.291 585 A HN 0.532 nan 8.150 nan 0.000 0.410 586 Y N 0.967 120.636 120.300 -1.052 0.000 2.239 586 Y HA 0.267 4.853 4.550 0.060 0.000 0.293 586 Y C 0.187 175.853 175.900 -0.391 0.000 1.126 586 Y CA 1.208 58.650 58.100 -1.098 0.000 1.128 586 Y CB 0.484 38.276 38.460 -1.112 0.000 1.066 586 Y HN 0.582 nan 8.280 nan 0.000 0.516 587 N N 0.289 118.859 118.700 -0.217 0.000 2.430 587 N HA 0.459 5.235 4.740 0.060 0.000 0.290 587 N C -0.288 175.174 175.510 -0.080 0.000 1.063 587 N CA 0.642 53.639 53.050 -0.089 0.000 0.883 587 N CB 1.989 40.454 38.487 -0.035 0.000 1.465 587 N HN 0.609 nan 8.380 nan 0.000 0.493 588 G N 1.371 110.065 108.800 -0.176 0.000 2.482 588 G HA2 -0.193 3.803 3.960 0.060 0.000 0.214 588 G HA3 -0.193 3.803 3.960 0.060 0.000 0.214 588 G C 0.591 175.383 174.900 -0.181 0.000 1.271 588 G CA -0.121 44.587 45.100 -0.654 0.000 0.944 588 G HN 0.624 nan 8.290 nan 0.000 0.568 589 G N 0.586 109.425 108.800 0.065 0.000 2.777 589 G HA2 0.418 4.414 3.960 0.060 0.000 0.211 589 G HA3 0.418 4.414 3.960 0.060 0.000 0.211 589 G C 0.539 175.456 174.900 0.028 0.000 1.149 589 G CA 1.348 46.628 45.100 0.300 0.000 0.785 589 G HN 1.651 nan 8.290 nan 0.000 0.536 590 N N -0.484 118.084 118.700 -0.219 0.000 2.598 590 N HA 0.269 5.045 4.740 0.060 0.000 0.263 590 N C -0.791 174.542 175.510 -0.294 0.000 1.254 590 N CA -0.232 52.521 53.050 -0.494 0.000 0.863 590 N CB 1.384 39.126 38.487 -1.241 0.000 1.586 590 N HN 0.034 nan 8.380 nan 0.000 0.491 591 S N 0.439 115.989 115.700 -0.249 0.000 2.748 591 S HA 0.692 5.198 4.470 0.060 0.000 0.299 591 S C -0.002 174.447 174.600 -0.252 0.000 1.119 591 S CA -0.899 57.256 58.200 -0.075 0.000 0.997 591 S CB 0.896 64.180 63.200 0.139 0.000 1.223 591 S HN 0.508 nan 8.310 nan 0.000 0.541 592 L N 0.934 121.960 121.223 -0.328 0.000 2.309 592 L HA 0.595 4.971 4.340 0.060 0.000 0.282 592 L C -0.021 176.555 176.870 -0.489 0.000 1.036 592 L CA -0.610 53.966 54.840 -0.440 0.000 0.806 592 L CB 1.381 43.141 42.059 -0.499 0.000 1.220 592 L HN 0.744 nan 8.230 nan 0.000 0.429 593 K N 2.820 122.800 120.400 -0.699 0.000 2.324 593 K HA 0.610 4.966 4.320 0.060 0.000 0.253 593 K C -1.776 174.276 176.600 -0.912 0.000 0.932 593 K CA -0.485 55.463 56.287 -0.565 0.000 0.799 593 K CB 1.448 33.762 32.500 -0.310 0.000 1.154 593 K HN 0.323 nan 8.250 nan 0.000 0.425 594 F N 2.240 122.150 119.950 -0.067 0.000 2.499 594 F HA 0.344 4.902 4.527 0.052 0.000 0.333 594 F C -0.214 175.548 175.800 -0.062 0.000 1.138 594 F CA -0.587 57.357 58.000 -0.093 0.000 0.945 594 F CB 2.116 41.100 39.000 -0.027 0.000 1.181 594 F HN 0.568 nan 8.300 nan 0.000 0.435 595 S N 1.689 117.407 115.700 0.031 0.000 2.579 595 S HA 1.022 5.528 4.470 0.060 0.000 0.272 595 S C -0.650 173.964 174.600 0.024 0.000 1.141 595 S CA -0.474 57.745 58.200 0.031 0.000 0.843 595 S CB 2.241 65.411 63.200 -0.049 0.000 1.122 595 S HN 1.366 nan 8.310 nan 0.000 0.468 596 G N 0.543 109.376 108.800 0.055 0.000 2.316 596 G HA2 0.409 4.405 3.960 0.060 0.000 0.296 596 G HA3 0.409 4.405 3.960 0.060 0.000 0.296 596 G C -2.479 172.424 174.900 0.005 0.000 1.399 596 G CA -0.866 44.232 45.100 -0.003 0.000 0.833 596 G HN 0.649 nan 8.290 nan 0.000 0.565 597 D N 0.729 121.110 120.400 -0.032 0.000 2.339 597 D HA 0.400 5.076 4.640 0.060 0.000 0.241 597 D C 0.485 176.721 176.300 -0.107 0.000 1.183 597 D CA 0.021 53.996 54.000 -0.042 0.000 0.859 597 D CB 1.741 42.522 40.800 -0.033 0.000 1.067 597 D HN 0.231 nan 8.370 nan 0.000 0.484 598 V N 2.537 122.349 119.914 -0.170 0.000 2.455 598 V HA 0.226 4.382 4.120 0.060 0.000 0.273 598 V C 1.384 177.368 176.094 -0.183 0.000 1.045 598 V CA -0.187 61.932 62.300 -0.301 0.000 0.976 598 V CB 1.144 32.575 31.823 -0.654 0.000 0.993 598 V HN 0.677 nan 8.190 nan 0.000 0.475 599 A N 3.956 126.684 122.820 -0.153 0.000 2.072 599 A HA 0.582 4.938 4.320 0.060 0.000 0.216 599 A C 1.106 178.642 177.584 -0.080 0.000 1.156 599 A CA 1.055 53.035 52.037 -0.095 0.000 0.701 599 A CB -0.054 18.901 19.000 -0.076 0.000 0.816 599 A HN 1.175 nan 8.150 nan 0.000 0.458 600 G N -1.223 107.519 108.800 -0.096 0.000 2.428 600 G HA2 0.381 4.377 3.960 0.060 0.000 0.304 600 G HA3 0.381 4.377 3.960 0.060 0.000 0.304 600 G C -1.060 173.803 174.900 -0.062 0.000 1.303 600 G CA -0.477 44.585 45.100 -0.063 0.000 0.825 600 G HN 0.221 nan 8.290 nan 0.000 0.484 601 K N 0.371 120.750 120.400 -0.034 0.000 2.466 601 K HA 0.363 4.719 4.320 0.060 0.000 0.278 601 K C -0.818 175.762 176.600 -0.033 0.000 1.048 601 K CA 0.852 57.128 56.287 -0.020 0.000 1.088 601 K CB -0.165 32.328 32.500 -0.013 0.000 0.884 601 K HN 0.454 nan 8.250 nan 0.000 0.478 602 T N 4.038 118.578 114.554 -0.024 0.000 3.041 602 T HA 0.245 4.631 4.350 0.060 0.000 0.321 602 T C -1.652 173.019 174.700 -0.050 0.000 1.184 602 T CA -1.022 61.050 62.100 -0.047 0.000 1.050 602 T CB 1.397 70.205 68.868 -0.101 0.000 1.159 602 T HN 0.511 nan 8.240 nan 0.000 0.469 603 D N 2.893 123.244 120.400 -0.081 0.000 2.498 603 D HA 0.503 5.179 4.640 0.060 0.000 0.247 603 D C -0.307 175.871 176.300 -0.204 0.000 1.070 603 D CA -0.496 53.385 54.000 -0.197 0.000 0.842 603 D CB 2.382 43.166 40.800 -0.027 0.000 1.361 603 D HN 0.698 nan 8.370 nan 0.000 0.484 604 Q N 0.189 119.753 119.800 -0.393 0.000 2.575 604 Q HA 0.555 4.931 4.340 0.060 0.000 0.290 604 Q C -2.119 173.788 176.000 -0.156 0.000 0.963 604 Q CA -0.947 54.745 55.803 -0.186 0.000 0.783 604 Q CB 2.372 31.033 28.738 -0.129 0.000 1.467 604 Q HN 0.290 nan 8.270 nan 0.000 0.402 605 D N -0.603 119.792 120.400 -0.010 0.000 2.552 605 D HA 0.622 5.298 4.640 0.060 0.000 0.239 605 D C -1.101 175.192 176.300 -0.013 0.000 1.139 605 D CA -0.900 53.110 54.000 0.017 0.000 0.914 605 D CB 2.089 42.886 40.800 -0.004 0.000 1.461 605 D HN 0.380 nan 8.370 nan 0.000 0.462 606 V N 0.560 120.460 119.914 -0.024 0.000 2.419 606 V HA 0.442 4.598 4.120 0.060 0.000 0.287 606 V C -0.526 175.576 176.094 0.015 0.000 1.017 606 V CA -0.882 61.454 62.300 0.060 0.000 0.844 606 V CB 0.984 32.879 31.823 0.121 0.000 1.011 606 V HN 0.405 nan 8.190 nan 0.000 0.429 607 R N 3.837 124.308 120.500 -0.049 0.000 2.248 607 R HA 0.523 4.899 4.340 0.060 0.000 0.328 607 R C 0.590 177.189 176.300 0.499 0.000 1.067 607 R CA -0.076 56.022 56.100 -0.004 0.000 0.924 607 R CB 0.812 30.773 30.300 -0.565 0.000 1.013 607 R HN 0.675 nan 8.270 nan 0.000 0.454 608 L N 1.889 123.400 121.223 0.481 0.000 2.349 608 L HA 0.260 4.636 4.340 0.060 0.000 0.200 608 L C -0.210 176.624 176.870 -0.060 0.000 1.064 608 L CA 0.517 55.558 54.840 0.334 0.000 0.821 608 L CB 0.260 42.550 42.059 0.385 0.000 1.027 608 L HN 0.522 nan 8.230 nan 0.000 0.476 609 Y N -0.934 119.453 120.300 0.146 0.000 2.442 609 Y HA 0.322 4.907 4.550 0.059 0.000 0.344 609 Y C 0.089 175.772 175.900 -0.362 0.000 0.976 609 Y CA -0.736 57.226 58.100 -0.230 0.000 1.040 609 Y CB 2.043 40.441 38.460 -0.104 0.000 1.228 609 Y HN -0.242 nan 8.280 nan 0.000 0.451 610 S N 2.147 117.487 115.700 -0.600 0.000 2.537 610 S HA 0.745 5.251 4.470 0.060 0.000 0.275 610 S C -0.235 174.335 174.600 -0.050 0.000 1.272 610 S CA 0.016 58.099 58.200 -0.196 0.000 1.050 610 S CB 0.250 63.342 63.200 -0.180 0.000 0.961 610 S HN 0.809 nan 8.310 nan 0.000 0.496 611 T N 1.249 115.854 114.554 0.085 0.000 2.787 611 T HA 0.574 4.960 4.350 0.060 0.000 0.297 611 T C -1.290 173.391 174.700 -0.031 0.000 1.221 611 T CA -0.961 61.098 62.100 -0.069 0.000 1.006 611 T CB 1.586 70.352 68.868 -0.170 0.000 1.328 611 T HN 0.568 nan 8.240 nan 0.000 0.509 612 K N 1.447 121.759 120.400 -0.148 0.000 2.803 612 K HA 0.506 4.862 4.320 0.060 0.000 0.229 612 K C -1.712 174.745 176.600 -0.238 0.000 1.084 612 K CA -0.509 55.621 56.287 -0.262 0.000 1.063 612 K CB 0.435 32.865 32.500 -0.117 0.000 1.254 612 K HN 0.613 nan 8.250 nan 0.000 0.551 613 L N 3.624 124.675 121.223 -0.288 0.000 2.319 613 L HA 0.389 4.765 4.340 0.060 0.000 0.281 613 L C -0.212 176.535 176.870 -0.205 0.000 1.005 613 L CA -0.964 53.753 54.840 -0.204 0.000 0.828 613 L CB 1.577 43.522 42.059 -0.190 0.000 1.227 613 L HN 0.353 nan 8.230 nan 0.000 0.415 614 E N 3.570 123.685 120.200 -0.142 0.000 2.259 614 E HA 0.244 4.630 4.350 0.060 0.000 0.281 614 E C -0.469 176.074 176.600 -0.094 0.000 1.037 614 E CA -0.337 55.996 56.400 -0.112 0.000 0.854 614 E CB 1.806 31.462 29.700 -0.074 0.000 1.051 614 E HN 0.154 nan 8.360 nan 0.000 0.409 615 V N 3.397 123.257 119.914 -0.089 0.000 2.439 615 V HA 0.368 4.524 4.120 0.060 0.000 0.282 615 V C 0.817 176.888 176.094 -0.037 0.000 1.039 615 V CA -0.461 61.797 62.300 -0.069 0.000 0.913 615 V CB 1.210 32.988 31.823 -0.074 0.000 0.983 615 V HN 0.841 nan 8.190 nan 0.000 0.460 616 T N 0.429 114.968 114.554 -0.025 0.000 2.807 616 T HA 0.408 4.794 4.350 0.060 0.000 0.277 616 T C 0.668 175.369 174.700 0.003 0.000 1.006 616 T CA -0.681 61.413 62.100 -0.010 0.000 1.006 616 T CB 1.739 70.601 68.868 -0.009 0.000 1.274 616 T HN 0.466 nan 8.240 nan 0.000 0.569 617 E N 0.262 120.468 120.200 0.009 0.000 2.333 617 E HA -0.051 4.335 4.350 0.060 0.000 0.198 617 E C 1.417 178.033 176.600 0.027 0.000 1.007 617 E CA 0.865 57.277 56.400 0.019 0.000 0.845 617 E CB -0.029 29.682 29.700 0.018 0.000 0.766 617 E HN 0.620 nan 8.360 nan 0.000 0.507 618 K N 0.434 120.848 120.400 0.024 0.000 2.367 618 K HA 0.095 4.451 4.320 0.060 0.000 0.194 618 K C 0.371 176.998 176.600 0.045 0.000 1.027 618 K CA 0.096 56.407 56.287 0.039 0.000 1.075 618 K CB 0.494 33.011 32.500 0.028 0.000 0.845 618 K HN -0.084 nan 8.250 nan 0.000 0.529 619 T N 2.740 117.309 114.554 0.026 0.000 2.834 619 T HA 0.133 4.519 4.350 0.060 0.000 0.298 619 T C -0.010 174.715 174.700 0.041 0.000 0.966 619 T CA 0.291 62.401 62.100 0.017 0.000 1.141 619 T CB 0.770 69.626 68.868 -0.020 0.000 0.905 619 T HN 0.032 nan 8.240 nan 0.000 0.535 620 K N 1.712 122.145 120.400 0.055 0.000 2.340 620 K HA 0.635 4.991 4.320 0.060 0.000 0.244 620 K C -1.121 175.538 176.600 0.098 0.000 0.973 620 K CA -1.098 55.241 56.287 0.087 0.000 0.828 620 K CB 2.164 34.716 32.500 0.086 0.000 1.226 620 K HN 0.295 nan 8.250 nan 0.000 0.437 621 L N 1.581 122.912 121.223 0.181 0.000 2.313 621 L HA 0.427 4.803 4.340 0.060 0.000 0.283 621 L C -1.060 175.982 176.870 0.287 0.000 1.013 621 L CA -0.126 54.858 54.840 0.240 0.000 0.816 621 L CB 1.140 43.408 42.059 0.350 0.000 1.236 621 L HN 0.477 nan 8.230 nan 0.000 0.419 622 R N 4.330 124.957 120.500 0.211 0.000 2.437 622 R HA 0.761 5.137 4.340 0.060 0.000 0.310 622 R C -1.537 174.888 176.300 0.209 0.000 0.955 622 R CA -0.837 55.374 56.100 0.186 0.000 0.851 622 R CB 2.159 32.515 30.300 0.093 0.000 1.161 622 R HN 0.492 nan 8.270 nan 0.000 0.446 623 V N 2.168 122.243 119.914 0.268 0.000 2.525 623 V HA 0.505 4.661 4.120 0.060 0.000 0.299 623 V C -0.351 175.882 176.094 0.232 0.000 1.034 623 V CA -0.946 61.532 62.300 0.297 0.000 0.863 623 V CB 1.728 33.800 31.823 0.414 0.000 0.999 623 V HN 0.900 nan 8.190 nan 0.000 0.423 624 A N 4.415 127.272 122.820 0.062 0.000 2.290 624 A HA 0.918 5.274 4.320 0.060 0.000 0.310 624 A C -0.435 177.251 177.584 0.170 0.000 1.202 624 A CA -0.164 51.747 52.037 -0.208 0.000 0.837 624 A CB 0.312 18.700 19.000 -1.019 0.000 1.139 624 A HN 1.369 nan 8.150 nan 0.000 0.509 625 H N -0.393 118.795 119.070 0.196 0.000 2.981 625 H HA 0.848 5.439 4.556 0.058 0.000 0.327 625 H C -0.991 174.214 175.328 -0.205 0.000 1.342 625 H CA -0.903 55.188 56.048 0.072 0.000 1.123 625 H CB 1.315 31.129 29.762 0.086 0.000 1.851 625 H HN 0.623 nan 8.280 nan 0.000 0.531 626 K N 0.880 120.962 120.400 -0.531 0.000 2.562 626 K HA 0.483 4.839 4.320 0.060 0.000 0.267 626 K C -0.001 176.323 176.600 -0.460 0.000 0.938 626 K CA 0.071 55.951 56.287 -0.678 0.000 0.840 626 K CB 2.004 33.591 32.500 -1.521 0.000 1.390 626 K HN 1.406 nan 8.250 nan 0.000 0.428 627 G N 1.287 109.950 108.800 -0.229 0.000 2.525 627 G HA2 0.053 4.049 3.960 0.060 0.000 0.248 627 G HA3 0.053 4.049 3.960 0.060 0.000 0.248 627 G C 0.606 175.592 174.900 0.145 0.000 1.238 627 G CA 0.416 45.456 45.100 -0.100 0.000 0.926 627 G HN 1.851 nan 8.290 nan 0.000 0.574 628 G N -1.152 107.723 108.800 0.125 0.000 2.157 628 G HA2 -0.091 3.905 3.960 0.060 0.000 0.239 628 G HA3 -0.091 3.905 3.960 0.060 0.000 0.239 628 G C 0.414 175.470 174.900 0.261 0.000 0.982 628 G CA 1.312 46.582 45.100 0.282 0.000 0.650 628 G HN 1.507 nan 8.290 nan 0.000 0.527 629 K N 0.548 121.029 120.400 0.134 0.000 2.511 629 K HA 0.376 4.732 4.320 0.060 0.000 0.280 629 K C 1.584 178.340 176.600 0.260 0.000 1.008 629 K CA 1.472 57.844 56.287 0.140 0.000 1.050 629 K CB -0.307 32.237 32.500 0.074 0.000 0.889 629 K HN 1.561 nan 8.250 nan 0.000 0.484 630 G N 2.111 111.019 108.800 0.179 0.000 2.141 630 G HA2 -0.257 3.739 3.960 0.060 0.000 0.242 630 G HA3 -0.257 3.739 3.960 0.060 0.000 0.242 630 G C -0.258 174.689 174.900 0.079 0.000 0.982 630 G CA 0.309 45.512 45.100 0.172 0.000 0.662 630 G HN 0.971 nan 8.290 nan 0.000 0.527 631 S N -1.600 114.106 115.700 0.010 0.000 2.671 631 S HA 0.815 5.321 4.470 0.060 0.000 0.277 631 S C -0.854 173.636 174.600 -0.184 0.000 1.165 631 S CA -0.892 57.145 58.200 -0.272 0.000 0.822 631 S CB 2.256 65.161 63.200 -0.491 0.000 1.150 631 S HN 0.358 nan 8.310 nan 0.000 0.479 632 K N 0.703 120.954 120.400 -0.249 0.000 2.221 632 K HA 0.748 5.104 4.320 0.060 0.000 0.258 632 K C -1.446 174.887 176.600 -0.446 0.000 0.944 632 K CA -0.833 55.269 56.287 -0.309 0.000 0.823 632 K CB 2.025 34.398 32.500 -0.212 0.000 1.113 632 K HN 0.495 nan 8.250 nan 0.000 0.431 633 V N 3.285 122.791 119.914 -0.680 0.000 2.656 633 V HA 0.464 4.620 4.120 0.060 0.000 0.307 633 V C -1.270 174.313 176.094 -0.851 0.000 1.051 633 V CA -0.960 60.850 62.300 -0.818 0.000 0.893 633 V CB 1.149 32.290 31.823 -1.136 0.000 0.999 633 V HN 0.648 nan 8.190 nan 0.000 0.426 634 Y N 2.710 122.755 120.300 -0.425 0.000 2.545 634 Y HA 0.717 5.302 4.550 0.060 0.000 0.348 634 Y C 0.002 175.660 175.900 -0.403 0.000 1.002 634 Y CA -0.877 57.062 58.100 -0.268 0.000 1.039 634 Y CB 2.274 40.764 38.460 0.050 0.000 1.271 634 Y HN 0.595 nan 8.280 nan 0.000 0.467 635 M N 2.347 121.774 119.600 -0.288 0.000 2.294 635 M HA 0.859 5.375 4.480 0.060 0.000 0.335 635 M C -1.431 174.406 176.300 -0.772 0.000 1.079 635 M CA -0.429 54.585 55.300 -0.476 0.000 0.982 635 M CB 1.191 33.547 32.600 -0.406 0.000 1.651 635 M HN 0.809 nan 8.290 nan 0.000 0.437 636 A N 3.967 126.195 122.820 -0.987 0.000 2.401 636 A HA 0.889 5.245 4.320 0.060 0.000 0.310 636 A C -1.843 175.247 177.584 -0.824 0.000 1.075 636 A CA -0.528 50.753 52.037 -1.260 0.000 0.746 636 A CB 1.050 18.832 19.000 -2.031 0.000 1.277 636 A HN 0.756 nan 8.150 nan 0.000 0.425 637 F N 0.370 120.244 119.950 -0.126 0.000 2.532 637 F HA 0.655 5.219 4.527 0.063 0.000 0.321 637 F C 0.780 176.456 175.800 -0.206 0.000 1.089 637 F CA -0.754 57.243 58.000 -0.004 0.000 0.926 637 F CB 2.346 41.321 39.000 -0.043 0.000 1.168 637 F HN 0.445 nan 8.300 nan 0.000 0.459 638 S N 0.142 115.646 115.700 -0.325 0.000 2.480 638 S HA 0.387 4.893 4.470 0.060 0.000 0.286 638 S C 0.579 175.161 174.600 -0.031 0.000 1.180 638 S CA -0.260 57.620 58.200 -0.534 0.000 1.075 638 S CB 0.505 63.206 63.200 -0.831 0.000 0.996 638 S HN 0.801 nan 8.310 nan 0.000 0.487 639 T N 0.594 115.162 114.554 0.023 0.000 3.145 639 T HA 0.261 4.647 4.350 0.060 0.000 0.255 639 T C 0.487 175.334 174.700 0.245 0.000 1.039 639 T CA -0.064 62.128 62.100 0.153 0.000 0.928 639 T CB -0.509 68.412 68.868 0.090 0.000 1.029 639 T HN 0.671 nan 8.240 nan 0.000 0.554 640 T N -1.214 113.398 114.554 0.097 0.000 2.887 640 T HA 0.552 4.938 4.350 0.060 0.000 0.288 640 T C -2.503 171.840 174.700 -0.596 0.000 1.021 640 T CA -2.033 59.955 62.100 -0.187 0.000 1.000 640 T CB 2.251 71.013 68.868 -0.177 0.000 1.034 640 T HN -0.294 nan 8.240 nan 0.000 0.467 641 P HA -0.029 nan 4.420 nan 0.000 0.222 641 P C 0.835 177.624 177.300 -0.851 0.000 1.147 641 P CA 0.934 63.352 63.100 -1.137 0.000 0.790 641 P CB -0.073 31.120 31.700 -0.844 0.000 0.780 642 D N -2.266 117.725 120.400 -0.682 0.000 2.336 642 D HA -0.149 4.527 4.640 0.060 0.000 0.229 642 D C -0.183 175.786 176.300 -0.551 0.000 1.061 642 D CA -0.625 52.857 54.000 -0.864 0.000 0.875 642 D CB -1.015 39.438 40.800 -0.579 0.000 0.904 642 D HN 0.103 nan 8.370 nan 0.000 0.525 643 Y N -0.792 119.384 120.300 -0.207 0.000 4.032 643 Y HA -0.249 4.338 4.550 0.061 0.000 0.230 643 Y C 0.020 175.769 175.900 -0.252 0.000 1.202 643 Y CA -0.326 57.675 58.100 -0.166 0.000 1.878 643 Y CB -2.705 35.821 38.460 0.110 0.000 1.586 643 Y HN 0.114 nan 8.280 nan 0.000 0.673 644 K N 0.267 120.582 120.400 -0.142 0.000 2.249 644 K HA 0.403 4.759 4.320 0.060 0.000 0.280 644 K C -0.025 176.435 176.600 -0.233 0.000 1.033 644 K CA -0.472 55.775 56.287 -0.067 0.000 0.946 644 K CB 0.358 32.839 32.500 -0.031 0.000 1.005 644 K HN 0.118 nan 8.250 nan 0.000 0.469 645 F N 2.364 122.339 119.950 0.042 0.000 2.899 645 F HA 0.072 4.637 4.527 0.064 0.000 0.308 645 F C 0.637 176.557 175.800 0.199 0.000 1.221 645 F CA -0.532 57.499 58.000 0.053 0.000 1.265 645 F CB 0.156 39.117 39.000 -0.064 0.000 1.253 645 F HN 0.506 nan 8.300 nan 0.000 0.534 646 D N -2.312 118.219 120.400 0.219 0.000 2.363 646 D HA -0.001 4.675 4.640 0.060 0.000 0.214 646 D C 0.011 176.406 176.300 0.158 0.000 1.093 646 D CA 0.053 54.155 54.000 0.170 0.000 0.837 646 D CB -0.054 40.794 40.800 0.080 0.000 0.948 646 D HN 0.074 nan 8.370 nan 0.000 0.507 647 D N 0.633 121.164 120.400 0.217 0.000 2.373 647 D HA 0.384 5.060 4.640 0.060 0.000 0.227 647 D C 1.012 177.476 176.300 0.273 0.000 1.091 647 D CA -0.470 53.638 54.000 0.179 0.000 0.840 647 D CB 1.677 42.558 40.800 0.135 0.000 1.060 647 D HN 0.015 nan 8.370 nan 0.000 0.502 648 A N 3.912 126.830 122.820 0.163 0.000 2.019 648 A HA -0.140 4.216 4.320 0.060 0.000 0.219 648 A C 1.450 179.145 177.584 0.185 0.000 1.164 648 A CA 0.996 53.111 52.037 0.130 0.000 0.644 648 A CB 0.042 19.048 19.000 0.011 0.000 0.805 648 A HN 0.538 nan 8.150 nan 0.000 0.449 649 D N -0.355 120.145 120.400 0.166 0.000 2.349 649 D HA 0.192 4.868 4.640 0.060 0.000 0.224 649 D C 1.179 177.598 176.300 0.198 0.000 1.029 649 D CA 0.922 55.016 54.000 0.156 0.000 0.879 649 D CB 0.172 41.040 40.800 0.114 0.000 0.906 649 D HN 0.434 nan 8.370 nan 0.000 0.528 650 A N -0.171 122.796 122.820 0.245 0.000 2.545 650 A HA 0.247 4.603 4.320 0.060 0.000 0.277 650 A C -0.535 177.033 177.584 -0.028 0.000 1.301 650 A CA -0.521 51.642 52.037 0.210 0.000 0.935 650 A CB -0.088 19.024 19.000 0.188 0.000 1.093 650 A HN 0.024 nan 8.150 nan 0.000 0.519 651 W N 0.444 121.716 121.300 -0.047 0.000 2.600 651 W HA 0.576 5.270 4.660 0.056 0.000 0.325 651 W C -0.423 176.023 176.519 -0.122 0.000 1.034 651 W CA -0.507 56.750 57.345 -0.146 0.000 1.226 651 W CB 1.556 30.915 29.460 -0.169 0.000 1.379 651 W HN -0.156 nan 8.180 nan 0.000 0.466 652 K N 2.776 123.153 120.400 -0.038 0.000 2.507 652 K HA 0.231 4.587 4.320 0.060 0.000 0.252 652 K C -0.762 175.740 176.600 -0.163 0.000 0.943 652 K CA -0.948 55.207 56.287 -0.221 0.000 0.808 652 K CB 2.381 34.403 32.500 -0.796 0.000 1.142 652 K HN 0.613 nan 8.250 nan 0.000 0.426 653 E N 4.083 124.284 120.200 0.003 0.000 2.313 653 E HA 0.228 4.614 4.350 0.060 0.000 0.276 653 E C -0.592 175.946 176.600 -0.103 0.000 1.031 653 E CA -0.473 55.839 56.400 -0.146 0.000 0.857 653 E CB 0.737 30.360 29.700 -0.129 0.000 1.040 653 E HN 0.387 nan 8.360 nan 0.000 0.408 654 L N 3.224 124.301 121.223 -0.244 0.000 2.350 654 L HA 0.258 4.634 4.340 0.060 0.000 0.275 654 L C 0.213 177.062 176.870 -0.034 0.000 1.099 654 L CA -0.576 54.208 54.840 -0.094 0.000 0.808 654 L CB 1.435 43.241 42.059 -0.422 0.000 1.149 654 L HN 0.538 nan 8.230 nan 0.000 0.442 655 T N 4.413 119.062 114.554 0.157 0.000 2.747 655 T HA 0.432 4.818 4.350 0.060 0.000 0.301 655 T C 0.146 174.992 174.700 0.244 0.000 0.952 655 T CA -0.385 61.800 62.100 0.142 0.000 0.983 655 T CB 0.100 69.041 68.868 0.122 0.000 0.930 655 T HN 0.260 nan 8.240 nan 0.000 0.494 656 L N 3.380 124.694 121.223 0.150 0.000 2.375 656 L HA 0.684 5.060 4.340 0.060 0.000 0.271 656 L C 0.738 177.689 176.870 0.135 0.000 1.107 656 L CA -0.453 54.506 54.840 0.199 0.000 0.806 656 L CB 1.070 43.201 42.059 0.120 0.000 1.146 656 L HN 0.725 nan 8.230 nan 0.000 0.447 657 S N -0.746 115.024 115.700 0.117 0.000 2.643 657 S HA 0.311 4.817 4.470 0.060 0.000 0.270 657 S C -0.268 174.328 174.600 -0.007 0.000 1.166 657 S CA -0.831 57.395 58.200 0.043 0.000 0.815 657 S CB 1.681 64.897 63.200 0.027 0.000 1.139 657 S HN 0.545 nan 8.310 nan 0.000 0.472 658 D N 0.883 121.266 120.400 -0.029 0.000 2.347 658 D HA 0.165 4.841 4.640 0.060 0.000 0.215 658 D C 0.043 176.264 176.300 -0.132 0.000 0.976 658 D CA 0.832 54.789 54.000 -0.072 0.000 0.884 658 D CB -0.382 40.393 40.800 -0.043 0.000 0.915 658 D HN 0.619 nan 8.370 nan 0.000 0.526 659 N N -1.013 117.621 118.700 -0.109 0.000 2.471 659 N HA 0.314 5.090 4.740 0.060 0.000 0.288 659 N C -0.840 174.578 175.510 -0.154 0.000 1.220 659 N CA -0.832 52.148 53.050 -0.118 0.000 0.893 659 N CB 0.570 39.065 38.487 0.014 0.000 1.256 659 N HN -0.049 nan 8.380 nan 0.000 0.534 660 W N 1.067 122.365 121.300 -0.004 0.000 2.322 660 W HA 0.135 4.839 4.660 0.074 0.000 0.328 660 W C 0.459 176.922 176.519 -0.093 0.000 1.395 660 W CA -0.029 57.294 57.345 -0.035 0.000 1.267 660 W CB 0.203 29.763 29.460 0.168 0.000 1.259 660 W HN 0.368 nan 8.180 nan 0.000 0.560 661 T N 0.851 115.390 114.554 -0.025 0.000 2.907 661 T HA 0.426 4.812 4.350 0.060 0.000 0.292 661 T C -0.991 173.548 174.700 -0.269 0.000 1.043 661 T CA -1.134 60.887 62.100 -0.132 0.000 1.003 661 T CB 1.912 70.664 68.868 -0.194 0.000 1.084 661 T HN 0.233 nan 8.240 nan 0.000 0.483 662 N N 1.088 119.696 118.700 -0.152 0.000 2.448 662 N HA 0.327 5.103 4.740 0.060 0.000 0.279 662 N C -1.172 174.309 175.510 -0.048 0.000 1.025 662 N CA -0.473 52.491 53.050 -0.143 0.000 0.898 662 N CB 1.483 39.912 38.487 -0.097 0.000 1.303 662 N HN 0.735 nan 8.380 nan 0.000 0.495 663 E N 1.078 121.290 120.200 0.019 0.000 2.207 663 E HA 0.290 4.676 4.350 0.060 0.000 0.270 663 E C -0.928 175.625 176.600 -0.079 0.000 0.927 663 E CA -0.714 55.653 56.400 -0.054 0.000 0.799 663 E CB 2.397 32.088 29.700 -0.016 0.000 1.172 663 E HN 0.466 nan 8.360 nan 0.000 0.404 664 E N 2.169 122.215 120.200 -0.256 0.000 2.183 664 E HA 0.410 4.796 4.350 0.060 0.000 0.271 664 E C -1.533 174.851 176.600 -0.359 0.000 0.919 664 E CA -0.566 55.740 56.400 -0.156 0.000 0.781 664 E CB 0.875 30.521 29.700 -0.090 0.000 1.140 664 E HN 0.252 nan 8.360 nan 0.000 0.402 665 F N 1.849 121.842 119.950 0.073 0.000 2.540 665 F HA 0.217 4.779 4.527 0.058 0.000 0.317 665 F C 0.079 175.923 175.800 0.073 0.000 1.104 665 F CA -1.090 56.959 58.000 0.081 0.000 0.913 665 F CB 1.527 40.598 39.000 0.118 0.000 1.170 665 F HN 0.316 nan 8.300 nan 0.000 0.450 666 D N 2.966 123.498 120.400 0.220 0.000 2.371 666 D HA 0.179 4.855 4.640 0.060 0.000 0.256 666 D C 0.381 176.777 176.300 0.161 0.000 1.193 666 D CA 0.324 54.411 54.000 0.145 0.000 0.881 666 D CB 0.934 41.792 40.800 0.098 0.000 1.143 666 D HN 0.562 nan 8.370 nan 0.000 0.473 667 L N 2.937 124.232 121.223 0.120 0.000 2.667 667 L HA 0.010 4.386 4.340 0.060 0.000 0.232 667 L C 2.160 179.067 176.870 0.062 0.000 1.138 667 L CA -0.060 54.836 54.840 0.093 0.000 0.921 667 L CB -0.156 41.928 42.059 0.042 0.000 1.180 667 L HN 0.367 nan 8.230 nan 0.000 0.487 668 S N -0.480 115.257 115.700 0.061 0.000 2.419 668 S HA -0.217 4.290 4.470 0.060 0.000 0.235 668 S C 2.153 176.779 174.600 0.043 0.000 1.019 668 S CA 1.407 59.634 58.200 0.044 0.000 0.982 668 S CB -0.472 62.754 63.200 0.043 0.000 0.789 668 S HN 0.579 nan 8.310 nan 0.000 0.490 669 S N 1.507 117.241 115.700 0.057 0.000 2.474 669 S HA 0.137 4.643 4.470 0.060 0.000 0.235 669 S C 1.478 176.109 174.600 0.051 0.000 0.997 669 S CA 0.625 58.859 58.200 0.056 0.000 0.949 669 S CB -0.691 62.550 63.200 0.069 0.000 0.766 669 S HN 0.591 nan 8.310 nan 0.000 0.517 670 L N 1.249 122.501 121.223 0.047 0.000 2.607 670 L HA 0.424 4.800 4.340 0.060 0.000 0.228 670 L C 1.217 178.095 176.870 0.013 0.000 1.123 670 L CA -0.212 54.649 54.840 0.034 0.000 0.890 670 L CB -0.473 41.604 42.059 0.031 0.000 1.103 670 L HN 0.311 nan 8.230 nan 0.000 0.468 671 A N 0.299 123.128 122.820 0.014 0.000 2.587 671 A HA 0.302 4.658 4.320 0.060 0.000 0.235 671 A C 1.538 179.124 177.584 0.004 0.000 1.044 671 A CA 1.015 53.054 52.037 0.005 0.000 0.754 671 A CB -0.284 18.723 19.000 0.011 0.000 0.968 671 A HN 0.637 nan 8.150 nan 0.000 0.509 672 G N 1.686 110.483 108.800 -0.005 0.000 2.284 672 G HA2 -0.256 3.740 3.960 0.060 0.000 0.247 672 G HA3 -0.256 3.740 3.960 0.060 0.000 0.247 672 G C 0.457 175.356 174.900 -0.001 0.000 1.012 672 G CA 0.878 45.977 45.100 -0.001 0.000 0.618 672 G HN 0.907 nan 8.290 nan 0.000 0.521 673 K N 0.480 120.878 120.400 -0.004 0.000 2.127 673 K HA 0.612 4.968 4.320 0.060 0.000 0.240 673 K C -0.210 176.362 176.600 -0.048 0.000 1.024 673 K CA 0.125 56.411 56.287 -0.002 0.000 0.918 673 K CB 0.727 33.236 32.500 0.014 0.000 1.108 673 K HN 0.101 nan 8.250 nan 0.000 0.485 674 T N 1.169 115.684 114.554 -0.064 0.000 2.824 674 T HA 0.408 4.794 4.350 0.060 0.000 0.282 674 T C -0.107 174.411 174.700 -0.304 0.000 0.993 674 T CA -0.661 61.297 62.100 -0.236 0.000 0.967 674 T CB 0.632 69.286 68.868 -0.357 0.000 0.960 674 T HN 0.296 nan 8.240 nan 0.000 0.441 675 I N 3.262 123.631 120.570 -0.335 0.000 2.371 675 I HA 0.202 4.408 4.170 0.060 0.000 0.290 675 I C 0.106 176.030 176.117 -0.322 0.000 1.028 675 I CA -0.180 60.974 61.300 -0.243 0.000 1.345 675 I CB 0.795 38.627 38.000 -0.280 0.000 1.407 675 I HN 0.779 nan 8.210 nan 0.000 0.501 676 Y N 4.874 125.209 120.300 0.058 0.000 2.462 676 Y HA 0.546 5.132 4.550 0.059 0.000 0.253 676 Y C 0.891 176.980 175.900 0.314 0.000 1.095 676 Y CA -0.101 58.105 58.100 0.177 0.000 1.283 676 Y CB 0.564 39.132 38.460 0.180 0.000 1.138 676 Y HN 0.609 nan 8.280 nan 0.000 0.522 677 A N -0.420 122.613 122.820 0.355 0.000 2.612 677 A HA 0.729 5.085 4.320 0.060 0.000 0.293 677 A C -1.911 175.949 177.584 0.460 0.000 1.075 677 A CA -0.602 51.661 52.037 0.377 0.000 0.680 677 A CB 1.006 20.228 19.000 0.371 0.000 1.279 677 A HN -0.186 nan 8.150 nan 0.000 0.411 678 V N 2.052 122.276 119.914 0.516 0.000 2.531 678 V HA 0.666 4.822 4.120 0.060 0.000 0.301 678 V C -0.184 176.116 176.094 0.343 0.000 1.034 678 V CA -0.487 62.112 62.300 0.499 0.000 0.865 678 V CB 1.608 33.745 31.823 0.525 0.000 0.995 678 V HN 1.098 nan 8.190 nan 0.000 0.424 679 K N 4.613 125.040 120.400 0.046 0.000 2.443 679 K HA 0.834 5.190 4.320 0.060 0.000 0.251 679 K C -1.757 174.674 176.600 -0.282 0.000 0.972 679 K CA -0.955 55.217 56.287 -0.191 0.000 0.833 679 K CB 2.560 34.673 32.500 -0.646 0.000 1.317 679 K HN 0.468 nan 8.250 nan 0.000 0.441 680 L N 1.806 122.878 121.223 -0.251 0.000 2.334 680 L HA 0.565 4.941 4.340 0.060 0.000 0.275 680 L C -0.958 175.704 176.870 -0.347 0.000 1.036 680 L CA -1.011 53.592 54.840 -0.394 0.000 0.807 680 L CB 1.148 42.893 42.059 -0.523 0.000 1.231 680 L HN 0.636 nan 8.230 nan 0.000 0.438 681 F N 2.164 121.777 119.950 -0.562 0.000 2.529 681 F HA 0.579 5.147 4.527 0.068 0.000 0.320 681 F C -1.253 174.307 175.800 -0.401 0.000 1.118 681 F CA -0.550 57.271 58.000 -0.298 0.000 0.915 681 F CB 1.281 40.256 39.000 -0.041 0.000 1.161 681 F HN 0.111 nan 8.300 nan 0.000 0.445 682 F N 3.653 123.157 119.950 -0.744 0.000 2.482 682 F HA 0.475 5.037 4.527 0.059 0.000 0.331 682 F C -0.484 174.895 175.800 -0.701 0.000 1.115 682 F CA -0.673 56.973 58.000 -0.591 0.000 0.955 682 F CB 1.893 40.630 39.000 -0.439 0.000 1.136 682 F HN 0.361 nan 8.300 nan 0.000 0.452 683 E N 1.937 121.951 120.200 -0.309 0.000 2.191 683 E HA 0.372 4.758 4.350 0.060 0.000 0.263 683 E C -1.479 174.899 176.600 -0.371 0.000 0.881 683 E CA -0.888 55.373 56.400 -0.232 0.000 0.757 683 E CB 1.538 31.233 29.700 -0.009 0.000 1.147 683 E HN 0.565 nan 8.360 nan 0.000 0.414 684 H N 1.288 120.261 119.070 -0.160 0.000 2.466 684 H HA 0.188 4.771 4.556 0.045 0.000 0.338 684 H C 0.250 175.520 175.328 -0.096 0.000 1.091 684 H CA -0.578 55.376 56.048 -0.156 0.000 1.207 684 H CB 1.472 31.094 29.762 -0.233 0.000 1.466 684 H HN 0.436 nan 8.280 nan 0.000 0.493 685 E N 1.758 121.977 120.200 0.031 0.000 2.447 685 E HA 0.185 4.571 4.350 0.060 0.000 0.195 685 E C 0.843 177.451 176.600 0.013 0.000 1.028 685 E CA 0.311 56.719 56.400 0.013 0.000 0.876 685 E CB 0.902 30.604 29.700 0.004 0.000 0.885 685 E HN 0.836 nan 8.360 nan 0.000 0.500 686 G N 0.021 108.835 108.800 0.022 0.000 2.561 686 G HA2 0.500 4.496 3.960 0.060 0.000 0.310 686 G HA3 0.500 4.496 3.960 0.060 0.000 0.310 686 G C -1.243 173.650 174.900 -0.011 0.000 1.292 686 G CA -0.276 44.825 45.100 0.002 0.000 0.811 686 G HN 0.111 nan 8.290 nan 0.000 0.482 687 A N -1.067 121.739 122.820 -0.024 0.000 2.498 687 A HA 0.524 4.881 4.320 0.060 0.000 0.239 687 A C -0.171 177.403 177.584 -0.017 0.000 1.068 687 A CA 0.244 52.256 52.037 -0.041 0.000 0.766 687 A CB 0.280 19.262 19.000 -0.030 0.000 1.003 687 A HN 1.481 nan 8.150 nan 0.000 0.497 688 V N 3.483 123.376 119.914 -0.035 0.000 2.498 688 V HA 0.215 4.371 4.120 0.060 0.000 0.283 688 V C -0.134 175.982 176.094 0.036 0.000 1.015 688 V CA -0.893 61.429 62.300 0.037 0.000 0.867 688 V CB 1.258 33.160 31.823 0.131 0.000 1.025 688 V HN 0.994 nan 8.190 nan 0.000 0.441 689 K N 3.351 123.773 120.400 0.036 0.000 2.401 689 K HA 0.228 4.584 4.320 0.060 0.000 0.278 689 K C 0.411 177.045 176.600 0.056 0.000 1.018 689 K CA 0.738 57.042 56.287 0.030 0.000 0.981 689 K CB 0.066 32.577 32.500 0.019 0.000 0.933 689 K HN 0.674 nan 8.250 nan 0.000 0.477 690 D N 2.028 122.455 120.400 0.045 0.000 2.746 690 D HA -0.283 4.393 4.640 0.060 0.000 0.236 690 D C -0.945 175.392 176.300 0.061 0.000 1.129 690 D CA 0.698 54.720 54.000 0.037 0.000 0.691 690 D CB -1.795 39.014 40.800 0.016 0.000 1.077 690 D HN 0.600 nan 8.370 nan 0.000 0.432 691 Y N 0.936 121.230 120.300 -0.010 0.000 2.511 691 Y HA 0.249 4.804 4.550 0.008 0.000 0.332 691 Y C 0.538 176.462 175.900 0.039 0.000 1.177 691 Y CA 0.530 58.650 58.100 0.032 0.000 1.422 691 Y CB 0.648 39.127 38.460 0.031 0.000 1.271 691 Y HN 0.111 nan 8.280 nan 0.000 0.550 692 Q N 6.405 125.738 119.800 -0.780 0.000 2.320 692 Q HA 0.346 4.722 4.340 0.060 0.000 0.272 692 Q C -2.335 173.354 176.000 -0.519 0.000 1.023 692 Q CA -0.831 54.654 55.803 -0.530 0.000 0.855 692 Q CB 1.811 30.402 28.738 -0.245 0.000 1.367 692 Q HN 0.736 nan 8.270 nan 0.000 0.406 693 F N 3.023 122.772 119.950 -0.334 0.000 2.556 693 F HA 0.601 5.158 4.527 0.050 0.000 0.314 693 F C -1.539 174.328 175.800 0.112 0.000 1.106 693 F CA -0.471 57.502 58.000 -0.045 0.000 0.911 693 F CB 1.690 40.837 39.000 0.244 0.000 1.190 693 F HN 0.553 nan 8.300 nan 0.000 0.448 694 N N 4.616 122.829 118.700 -0.811 0.000 2.321 694 N HA 0.533 5.309 4.740 0.060 0.000 0.299 694 N C -1.879 173.238 175.510 -0.654 0.000 1.048 694 N CA -0.574 52.147 53.050 -0.548 0.000 0.836 694 N CB 2.068 40.304 38.487 -0.417 0.000 1.269 694 N HN 0.595 nan 8.380 nan 0.000 0.486 695 L N 1.254 122.448 121.223 -0.048 0.000 2.287 695 L HA 0.677 5.053 4.340 0.060 0.000 0.287 695 L C 0.921 178.049 176.870 0.430 0.000 1.022 695 L CA 0.184 55.174 54.840 0.250 0.000 0.814 695 L CB 1.081 43.422 42.059 0.470 0.000 1.217 695 L HN 0.731 nan 8.230 nan 0.000 0.420 696 G N 3.507 112.652 108.800 0.576 0.000 2.781 696 G HA2 0.161 4.157 3.960 0.060 0.000 0.208 696 G HA3 0.161 4.157 3.960 0.060 0.000 0.208 696 G C 0.060 175.165 174.900 0.342 0.000 1.099 696 G CA 0.096 45.444 45.100 0.414 0.000 0.776 696 G HN 0.540 nan 8.290 nan 0.000 0.532 697 Q N -0.606 119.371 119.800 0.295 0.000 2.438 697 Q HA 0.540 4.916 4.340 0.060 0.000 0.272 697 Q C -2.522 173.534 176.000 0.093 0.000 0.994 697 Q CA -0.781 55.040 55.803 0.030 0.000 0.887 697 Q CB 2.317 31.067 28.738 0.020 0.000 1.432 697 Q HN 0.130 nan 8.270 nan 0.000 0.392 698 L N 1.818 123.013 121.223 -0.048 0.000 2.438 698 L HA 0.770 5.146 4.340 0.060 0.000 0.270 698 L C -1.793 175.034 176.870 -0.072 0.000 0.972 698 L CA 0.299 55.179 54.840 0.066 0.000 0.831 698 L CB 2.533 44.715 42.059 0.204 0.000 1.273 698 L HN 0.628 nan 8.230 nan 0.000 0.405 699 T N 6.219 120.782 114.554 0.014 0.000 2.921 699 T HA 0.665 5.051 4.350 0.060 0.000 0.297 699 T C -0.716 174.011 174.700 0.046 0.000 1.013 699 T CA -0.162 61.915 62.100 -0.039 0.000 0.990 699 T CB 1.310 70.152 68.868 -0.042 0.000 1.023 699 T HN 0.477 nan 8.240 nan 0.000 0.447 700 I N 2.484 123.075 120.570 0.035 0.000 2.439 700 I HA 0.665 4.871 4.170 0.060 0.000 0.285 700 I C -0.215 175.901 176.117 -0.002 0.000 1.021 700 I CA -0.417 60.887 61.300 0.007 0.000 1.091 700 I CB 1.734 39.698 38.000 -0.060 0.000 1.242 700 I HN 0.560 nan 8.210 nan 0.000 0.439 701 S N 3.335 119.034 115.700 -0.003 0.000 2.543 701 S HA 0.250 4.756 4.470 0.060 0.000 0.274 701 S C -0.587 174.017 174.600 0.007 0.000 1.149 701 S CA -0.715 57.482 58.200 -0.005 0.000 0.866 701 S CB 1.333 64.527 63.200 -0.010 0.000 1.111 701 S HN 0.732 nan 8.310 nan 0.000 0.457 702 D N 1.859 122.256 120.400 -0.005 0.000 2.325 702 D HA 0.152 4.828 4.640 0.060 0.000 0.225 702 D C 0.104 176.398 176.300 -0.010 0.000 1.096 702 D CA 0.028 54.030 54.000 0.003 0.000 0.844 702 D CB -0.249 40.545 40.800 -0.010 0.000 0.925 702 D HN 0.257 nan 8.370 nan 0.000 0.513 703 N N 0.986 119.673 118.700 -0.022 0.000 2.442 703 N HA 0.036 4.812 4.740 0.060 0.000 0.274 703 N C -0.057 175.430 175.510 -0.040 0.000 1.002 703 N CA -0.541 52.463 53.050 -0.078 0.000 0.910 703 N CB 0.731 39.171 38.487 -0.077 0.000 1.244 703 N HN 0.236 nan 8.380 nan 0.000 0.492 704 H N 1.377 120.432 119.070 -0.025 0.000 2.592 704 H HA 0.299 4.891 4.556 0.060 0.000 0.279 704 H C -0.663 174.646 175.328 -0.033 0.000 1.089 704 H CA -0.372 55.661 56.048 -0.025 0.000 1.150 704 H CB 0.640 30.392 29.762 -0.016 0.000 1.575 704 H HN 0.431 nan 8.280 nan 0.000 0.547 705 Q N 1.772 121.466 119.800 -0.177 0.000 2.299 705 Q HA 0.150 4.526 4.340 0.060 0.000 0.246 705 Q C -0.298 175.663 176.000 -0.064 0.000 0.935 705 Q CA -0.405 55.326 55.803 -0.120 0.000 0.887 705 Q CB 1.755 30.390 28.738 -0.172 0.000 1.223 705 Q HN 0.410 nan 8.270 nan 0.000 0.439 706 E N 3.537 123.709 120.200 -0.048 0.000 2.415 706 E HA 0.034 4.420 4.350 0.060 0.000 0.263 706 E C -2.046 174.508 176.600 -0.077 0.000 0.995 706 E CA -1.338 55.024 56.400 -0.064 0.000 0.915 706 E CB 0.216 29.879 29.700 -0.061 0.000 0.951 706 E HN 0.342 nan 8.360 nan 0.000 0.449 707 P HA -0.039 nan 4.420 nan 0.000 0.272 707 P C -0.519 176.738 177.300 -0.072 0.000 1.240 707 P CA -0.193 62.855 63.100 -0.086 0.000 0.791 707 P CB 0.594 32.227 31.700 -0.112 0.000 0.978 708 Q N 0.263 120.034 119.800 -0.049 0.000 2.386 708 Q HA 0.094 4.470 4.340 0.060 0.000 0.282 708 Q C 0.111 176.084 176.000 -0.045 0.000 1.050 708 Q CA 0.356 56.136 55.803 -0.038 0.000 0.918 708 Q CB 0.237 28.966 28.738 -0.015 0.000 1.266 708 Q HN 0.446 nan 8.270 nan 0.000 0.423 709 S N 3.911 119.575 115.700 -0.061 0.000 2.568 709 S HA 0.133 4.640 4.470 0.060 0.000 0.282 709 S C -2.169 172.395 174.600 -0.060 0.000 1.338 709 S CA -1.080 57.067 58.200 -0.088 0.000 1.045 709 S CB 0.186 63.325 63.200 -0.101 0.000 0.873 709 S HN 0.445 nan 8.310 nan 0.000 0.516 710 P HA 0.153 nan 4.420 nan 0.000 0.268 710 P C -0.046 177.224 177.300 -0.049 0.000 1.208 710 P CA -0.133 62.910 63.100 -0.094 0.000 0.777 710 P CB 0.352 31.803 31.700 -0.414 0.000 0.875 711 T N -2.933 111.649 114.554 0.046 0.000 2.907 711 T HA 0.489 4.875 4.350 0.060 0.000 0.290 711 T C -0.229 174.553 174.700 0.137 0.000 1.066 711 T CA -0.788 61.353 62.100 0.068 0.000 1.012 711 T CB 0.600 69.498 68.868 0.050 0.000 1.184 711 T HN 0.235 nan 8.240 nan 0.000 0.522 712 S N -0.199 115.577 115.700 0.127 0.000 3.631 712 S HA -0.163 4.343 4.470 0.060 0.000 0.366 712 S C -0.405 174.330 174.600 0.226 0.000 0.993 712 S CA 0.141 58.421 58.200 0.132 0.000 1.167 712 S CB -2.031 61.221 63.200 0.087 0.000 0.909 712 S HN 0.793 nan 8.310 nan 0.000 0.478 713 F N 3.094 123.083 119.950 0.066 0.000 2.424 713 F HA 0.604 5.167 4.527 0.060 0.000 0.356 713 F C 0.480 176.320 175.800 0.066 0.000 1.110 713 F CA -0.309 57.748 58.000 0.095 0.000 1.161 713 F CB 0.913 39.927 39.000 0.024 0.000 1.115 713 F HN 0.306 nan 8.300 nan 0.000 0.507 714 S N 4.342 119.889 115.700 -0.255 0.000 2.607 714 S HA 0.681 5.188 4.470 0.060 0.000 0.273 714 S C -1.512 172.891 174.600 -0.328 0.000 1.148 714 S CA -1.046 56.949 58.200 -0.341 0.000 0.833 714 S CB 1.216 64.335 63.200 -0.135 0.000 1.130 714 S HN 0.426 nan 8.310 nan 0.000 0.470 715 V N 3.078 122.835 119.914 -0.261 0.000 2.439 715 V HA 0.206 4.362 4.120 0.060 0.000 0.271 715 V C 1.445 177.486 176.094 -0.089 0.000 1.040 715 V CA 0.199 62.421 62.300 -0.130 0.000 1.002 715 V CB 0.569 32.342 31.823 -0.085 0.000 1.000 715 V HN 1.015 nan 8.190 nan 0.000 0.477 716 V N 1.813 121.703 119.914 -0.041 0.000 3.471 716 V HA 0.400 4.556 4.120 0.060 0.000 0.258 716 V C 0.619 176.701 176.094 -0.021 0.000 1.192 716 V CA 0.595 62.877 62.300 -0.031 0.000 1.116 716 V CB -0.385 31.429 31.823 -0.015 0.000 0.792 716 V HN 0.761 nan 8.190 nan 0.000 0.459 717 K N 1.003 121.402 120.400 -0.001 0.000 2.546 717 K HA 0.598 4.954 4.320 0.060 0.000 0.264 717 K C -1.550 175.069 176.600 0.031 0.000 0.937 717 K CA -0.507 55.787 56.287 0.011 0.000 0.833 717 K CB 2.538 35.061 32.500 0.038 0.000 1.378 717 K HN 0.574 nan 8.250 nan 0.000 0.432 718 Q N -0.203 119.607 119.800 0.016 0.000 2.462 718 Q HA 0.613 4.989 4.340 0.060 0.000 0.285 718 Q C -1.552 174.474 176.000 0.045 0.000 1.035 718 Q CA -0.932 54.902 55.803 0.052 0.000 0.799 718 Q CB 2.388 31.137 28.738 0.018 0.000 1.452 718 Q HN 0.354 nan 8.270 nan 0.000 0.404 719 S N 1.782 117.527 115.700 0.075 0.000 2.737 719 S HA 0.418 4.924 4.470 0.060 0.000 0.269 719 S C -1.434 173.220 174.600 0.090 0.000 1.150 719 S CA -0.509 57.733 58.200 0.072 0.000 1.077 719 S CB 0.642 63.890 63.200 0.080 0.000 1.075 719 S HN 0.509 nan 8.310 nan 0.000 0.476 720 L N 4.926 126.210 121.223 0.102 0.000 2.380 720 L HA 0.484 4.860 4.340 0.060 0.000 0.273 720 L C 1.404 178.364 176.870 0.150 0.000 1.138 720 L CA 0.536 55.475 54.840 0.165 0.000 0.832 720 L CB 0.655 42.849 42.059 0.225 0.000 1.124 720 L HN 0.694 nan 8.230 nan 0.000 0.454 721 K N 1.226 121.729 120.400 0.172 0.000 2.099 721 K HA 0.069 4.426 4.320 0.060 0.000 0.203 721 K C 0.079 176.758 176.600 0.131 0.000 1.047 721 K CA 0.972 57.338 56.287 0.132 0.000 0.963 721 K CB 0.260 32.832 32.500 0.120 0.000 0.759 721 K HN 0.902 nan 8.250 nan 0.000 0.451 722 N N -2.776 116.028 118.700 0.172 0.000 3.439 722 N HA 0.226 5.002 4.740 0.060 0.000 0.313 722 N C -0.215 175.411 175.510 0.194 0.000 1.598 722 N CA -0.319 52.813 53.050 0.136 0.000 0.830 722 N CB 0.382 38.912 38.487 0.072 0.000 1.849 722 N HN -0.149 nan 8.380 nan 0.000 0.598 723 A N -1.329 121.534 122.820 0.072 0.000 2.209 723 A HA -0.009 4.347 4.320 0.060 0.000 0.212 723 A C 1.225 178.554 177.584 -0.424 0.000 1.158 723 A CA 1.040 53.057 52.037 -0.033 0.000 0.742 723 A CB -0.637 18.317 19.000 -0.078 0.000 0.790 723 A HN 0.607 nan 8.150 nan 0.000 0.472 724 Q N -0.793 118.839 119.800 -0.280 0.000 2.185 724 Q HA 0.099 4.475 4.340 0.060 0.000 0.234 724 Q C -0.813 175.128 176.000 -0.098 0.000 0.819 724 Q CA 0.132 55.685 55.803 -0.417 0.000 0.961 724 Q CB 0.741 29.351 28.738 -0.214 0.000 1.140 724 Q HN 0.889 nan 8.270 nan 0.000 0.492 725 E N -0.338 120.018 120.200 0.260 0.000 2.304 725 E HA 0.755 5.141 4.350 0.060 0.000 0.277 725 E C -1.510 175.325 176.600 0.391 0.000 0.898 725 E CA -0.924 55.699 56.400 0.370 0.000 0.764 725 E CB 2.097 31.892 29.700 0.159 0.000 1.216 725 E HN 0.022 nan 8.360 nan 0.000 0.419 726 A N 2.854 125.794 122.820 0.199 0.000 2.539 726 A HA 0.536 4.892 4.320 0.060 0.000 0.296 726 A C -0.944 176.594 177.584 -0.078 0.000 1.073 726 A CA -0.827 51.211 52.037 0.002 0.000 0.700 726 A CB 1.536 20.370 19.000 -0.275 0.000 1.296 726 A HN 0.652 nan 8.150 nan 0.000 0.405 727 E N -0.083 120.107 120.200 -0.016 0.000 2.283 727 E HA 0.636 5.022 4.350 0.060 0.000 0.271 727 E C -0.116 176.472 176.600 -0.021 0.000 1.031 727 E CA -0.283 56.094 56.400 -0.038 0.000 0.868 727 E CB 1.826 31.601 29.700 0.125 0.000 1.094 727 E HN 0.920 nan 8.360 nan 0.000 0.401 728 A N 1.349 124.133 122.820 -0.061 0.000 2.587 728 A HA 0.602 4.958 4.320 0.060 0.000 0.293 728 A C -1.449 176.186 177.584 0.084 0.000 1.087 728 A CA -0.701 51.360 52.037 0.039 0.000 0.692 728 A CB 1.863 20.880 19.000 0.028 0.000 1.291 728 A HN 0.391 nan 8.150 nan 0.000 0.407 729 V N 1.343 121.330 119.914 0.122 0.000 2.604 729 V HA 0.832 4.988 4.120 0.060 0.000 0.305 729 V C -0.485 175.661 176.094 0.087 0.000 1.043 729 V CA -0.166 62.213 62.300 0.132 0.000 0.888 729 V CB 1.376 33.304 31.823 0.175 0.000 0.995 729 V HN 1.843 nan 8.190 nan 0.000 0.429 730 V N 3.585 123.568 119.914 0.115 0.000 2.881 730 V HA 0.809 4.965 4.120 0.060 0.000 0.316 730 V C -0.612 175.578 176.094 0.161 0.000 1.070 730 V CA -0.509 61.879 62.300 0.145 0.000 0.976 730 V CB 1.593 33.590 31.823 0.289 0.000 1.038 730 V HN 1.174 nan 8.190 nan 0.000 0.446 731 Q N 1.255 121.162 119.800 0.179 0.000 2.418 731 Q HA 0.787 5.163 4.340 0.060 0.000 0.282 731 Q C -1.811 174.332 176.000 0.237 0.000 1.044 731 Q CA -0.653 55.162 55.803 0.020 0.000 0.813 731 Q CB 2.820 31.532 28.738 -0.044 0.000 1.428 731 Q HN 0.944 nan 8.270 nan 0.000 0.402 732 F N -1.305 118.677 119.950 0.053 0.000 2.817 732 F HA 0.666 5.229 4.527 0.060 0.000 0.317 732 F C -1.629 174.131 175.800 -0.067 0.000 1.168 732 F CA -1.288 56.732 58.000 0.032 0.000 0.911 732 F CB 0.906 39.900 39.000 -0.010 0.000 1.337 732 F HN 0.174 nan 8.300 nan 0.000 0.464 733 K N 0.832 121.337 120.400 0.175 0.000 2.185 733 K HA 0.718 5.074 4.320 0.060 0.000 0.269 733 K C 0.139 176.833 176.600 0.158 0.000 0.987 733 K CA -0.114 56.219 56.287 0.076 0.000 0.865 733 K CB 1.498 34.034 32.500 0.060 0.000 1.090 733 K HN 0.941 nan 8.250 nan 0.000 0.450 734 G N 1.550 110.420 108.800 0.116 0.000 2.890 734 G HA2 0.463 4.459 3.960 0.060 0.000 0.189 734 G HA3 0.463 4.459 3.960 0.060 0.000 0.189 734 G C -0.900 174.108 174.900 0.180 0.000 1.342 734 G CA -0.595 44.639 45.100 0.224 0.000 1.026 734 G HN 0.748 nan 8.290 nan 0.000 0.579 735 N N -2.956 115.876 118.700 0.220 0.000 2.927 735 N HA 0.331 5.107 4.740 0.060 0.000 0.248 735 N C 0.030 175.598 175.510 0.096 0.000 1.443 735 N CA -0.720 52.399 53.050 0.114 0.000 0.870 735 N CB 1.472 40.000 38.487 0.068 0.000 1.444 735 N HN 0.368 nan 8.380 nan 0.000 0.519 736 K N -1.271 119.158 120.400 0.050 0.000 2.442 736 K HA 0.082 4.438 4.320 0.060 0.000 0.198 736 K C 0.083 176.681 176.600 -0.003 0.000 1.042 736 K CA 1.109 57.413 56.287 0.028 0.000 0.958 736 K CB -0.140 32.370 32.500 0.018 0.000 0.766 736 K HN 0.478 nan 8.250 nan 0.000 0.474 737 D N 1.060 121.449 120.400 -0.018 0.000 2.317 737 D HA 0.057 4.733 4.640 0.060 0.000 0.211 737 D C 0.079 176.316 176.300 -0.104 0.000 0.966 737 D CA 0.604 54.570 54.000 -0.056 0.000 0.876 737 D CB 0.004 40.767 40.800 -0.061 0.000 0.927 737 D HN 0.355 nan 8.370 nan 0.000 0.519 738 A N 0.968 123.718 122.820 -0.117 0.000 2.409 738 A HA 0.080 4.436 4.320 0.060 0.000 0.262 738 A C 1.024 178.449 177.584 -0.265 0.000 1.113 738 A CA -0.274 51.589 52.037 -0.289 0.000 0.790 738 A CB 0.780 19.516 19.000 -0.440 0.000 1.046 738 A HN -0.158 nan 8.150 nan 0.000 0.496 739 D N 1.320 121.532 120.400 -0.313 0.000 2.144 739 D HA 0.132 4.808 4.640 0.060 0.000 0.207 739 D C 0.279 176.561 176.300 -0.029 0.000 0.970 739 D CA 1.849 55.777 54.000 -0.120 0.000 0.853 739 D CB 0.065 40.833 40.800 -0.054 0.000 1.007 739 D HN 0.567 nan 8.370 nan 0.000 0.469 740 F N -2.649 117.091 119.950 -0.350 0.000 2.985 740 F HA 0.577 5.140 4.527 0.059 0.000 0.322 740 F C -1.758 173.700 175.800 -0.571 0.000 1.187 740 F CA -1.464 56.346 58.000 -0.318 0.000 0.910 740 F CB 0.713 39.693 39.000 -0.034 0.000 1.411 740 F HN -0.317 nan 8.300 nan 0.000 0.492 741 Y N -0.195 120.227 120.300 0.205 0.000 2.512 741 Y HA 0.598 5.184 4.550 0.060 0.000 0.348 741 Y C -0.952 174.958 175.900 0.017 0.000 0.990 741 Y CA -1.052 57.042 58.100 -0.010 0.000 1.033 741 Y CB 2.323 40.821 38.460 0.064 0.000 1.259 741 Y HN 0.518 nan 8.280 nan 0.000 0.461 742 E N 1.543 121.724 120.200 -0.031 0.000 2.187 742 E HA 0.626 5.012 4.350 0.060 0.000 0.268 742 E C -1.429 174.986 176.600 -0.308 0.000 0.896 742 E CA -0.921 55.316 56.400 -0.273 0.000 0.766 742 E CB 2.542 31.991 29.700 -0.418 0.000 1.142 742 E HN 0.257 nan 8.360 nan 0.000 0.408 743 V N 3.655 123.331 119.914 -0.396 0.000 2.435 743 V HA 0.395 4.552 4.120 0.060 0.000 0.290 743 V C -0.969 174.937 176.094 -0.312 0.000 1.030 743 V CA -0.644 61.517 62.300 -0.231 0.000 0.881 743 V CB 0.433 32.202 31.823 -0.091 0.000 0.983 743 V HN 0.596 nan 8.190 nan 0.000 0.445 744 Y N 2.064 122.297 120.300 -0.111 0.000 2.536 744 Y HA 0.607 5.193 4.550 0.059 0.000 0.347 744 Y C 0.293 176.319 175.900 0.210 0.000 1.000 744 Y CA -1.096 57.010 58.100 0.010 0.000 1.051 744 Y CB 1.916 40.405 38.460 0.049 0.000 1.259 744 Y HN 0.735 nan 8.280 nan 0.000 0.468 745 E N 1.026 121.439 120.200 0.354 0.000 2.221 745 E HA 0.433 4.819 4.350 0.060 0.000 0.268 745 E C -1.423 175.244 176.600 0.111 0.000 0.933 745 E CA -1.354 55.197 56.400 0.253 0.000 0.809 745 E CB 2.115 31.857 29.700 0.069 0.000 1.190 745 E HN 0.412 nan 8.360 nan 0.000 0.406 746 K N 1.616 121.835 120.400 -0.303 0.000 2.267 746 K HA 0.083 4.439 4.320 0.060 0.000 0.282 746 K C -1.224 175.172 176.600 -0.341 0.000 1.078 746 K CA -0.454 55.379 56.287 -0.758 0.000 0.903 746 K CB 0.677 32.423 32.500 -1.256 0.000 1.111 746 K HN 0.483 nan 8.250 nan 0.000 0.475 747 D N 4.136 124.378 120.400 -0.262 0.000 2.460 747 D HA 0.287 4.963 4.640 0.060 0.000 0.232 747 D C 0.760 176.964 176.300 -0.161 0.000 1.079 747 D CA 0.555 54.465 54.000 -0.150 0.000 0.864 747 D CB 0.742 41.491 40.800 -0.085 0.000 1.048 747 D HN 0.789 nan 8.370 nan 0.000 0.523 748 G N 4.914 113.622 108.800 -0.154 0.000 2.634 748 G HA2 -0.351 3.645 3.960 0.060 0.000 0.318 748 G HA3 -0.351 3.645 3.960 0.060 0.000 0.318 748 G C 0.563 175.354 174.900 -0.182 0.000 1.207 748 G CA 0.724 45.741 45.100 -0.139 0.000 0.987 748 G HN 0.647 nan 8.290 nan 0.000 0.547 749 D N 0.651 120.963 120.400 -0.147 0.000 2.395 749 D HA 0.451 5.127 4.640 0.060 0.000 0.226 749 D C 0.395 176.597 176.300 -0.163 0.000 1.146 749 D CA 0.604 54.514 54.000 -0.151 0.000 0.830 749 D CB 0.294 41.042 40.800 -0.085 0.000 0.958 749 D HN 0.376 nan 8.370 nan 0.000 0.501 750 S N 0.050 115.626 115.700 -0.207 0.000 2.614 750 S HA 0.316 4.822 4.470 0.060 0.000 0.288 750 S C -1.069 173.418 174.600 -0.187 0.000 1.137 750 S CA -0.889 57.229 58.200 -0.136 0.000 0.992 750 S CB 0.814 63.985 63.200 -0.049 0.000 1.026 750 S HN 0.189 nan 8.310 nan 0.000 0.486 751 W N 3.100 124.380 121.300 -0.033 0.000 2.304 751 W HA 0.389 5.085 4.660 0.059 0.000 0.313 751 W C 0.478 177.025 176.519 0.046 0.000 1.323 751 W CA -0.320 57.009 57.345 -0.026 0.000 1.223 751 W CB 0.484 29.855 29.460 -0.149 0.000 1.237 751 W HN 0.323 nan 8.180 nan 0.000 0.535 752 K N 4.115 124.722 120.400 0.344 0.000 2.426 752 K HA 0.383 4.739 4.320 0.060 0.000 0.254 752 K C -0.844 175.855 176.600 0.166 0.000 0.936 752 K CA -1.188 55.224 56.287 0.208 0.000 0.801 752 K CB 2.235 34.776 32.500 0.069 0.000 1.139 752 K HN 0.380 nan 8.250 nan 0.000 0.424 753 L N 4.194 125.370 121.223 -0.080 0.000 2.490 753 L HA 0.032 4.408 4.340 0.060 0.000 0.274 753 L C 0.361 176.960 176.870 -0.451 0.000 1.201 753 L CA 0.231 54.675 54.840 -0.660 0.000 0.869 753 L CB 0.395 41.791 42.059 -1.106 0.000 1.123 753 L HN 0.747 nan 8.230 nan 0.000 0.484 754 L N 2.980 123.913 121.223 -0.483 0.000 2.262 754 L HA 0.258 4.634 4.340 0.060 0.000 0.197 754 L C 0.835 177.457 176.870 -0.413 0.000 1.073 754 L CA 0.516 55.160 54.840 -0.327 0.000 0.800 754 L CB 0.206 42.128 42.059 -0.229 0.000 0.987 754 L HN 0.735 nan 8.230 nan 0.000 0.470 755 T N -1.838 112.356 114.554 -0.600 0.000 2.718 755 T HA 0.610 4.996 4.350 0.060 0.000 0.306 755 T C -1.491 172.782 174.700 -0.713 0.000 1.485 755 T CA -0.088 61.611 62.100 -0.670 0.000 0.997 755 T CB 1.871 70.305 68.868 -0.724 0.000 1.504 755 T HN 0.212 nan 8.240 nan 0.000 0.497 756 G N 0.373 108.882 108.800 -0.485 0.000 2.660 756 G HA2 0.694 4.690 3.960 0.060 0.000 0.294 756 G HA3 0.694 4.690 3.960 0.060 0.000 0.294 756 G C -1.364 173.590 174.900 0.091 0.000 1.369 756 G CA -0.312 44.711 45.100 -0.129 0.000 0.912 756 G HN 0.866 nan 8.290 nan 0.000 0.479 757 S N -1.056 114.793 115.700 0.248 0.000 2.543 757 S HA 0.490 4.996 4.470 0.060 0.000 0.274 757 S C 0.743 175.584 174.600 0.400 0.000 1.149 757 S CA -0.117 58.246 58.200 0.272 0.000 0.866 757 S CB 1.469 64.796 63.200 0.212 0.000 1.111 757 S HN 0.569 nan 8.310 nan 0.000 0.457 758 S N 1.368 117.258 115.700 0.317 0.000 2.489 758 S HA 0.100 4.606 4.470 0.060 0.000 0.228 758 S C 0.918 175.743 174.600 0.375 0.000 0.995 758 S CA 0.456 58.853 58.200 0.328 0.000 0.934 758 S CB -0.024 63.302 63.200 0.209 0.000 0.771 758 S HN 0.633 nan 8.310 nan 0.000 0.522 759 S N 1.222 117.098 115.700 0.293 0.000 2.652 759 S HA 0.254 4.760 4.470 0.060 0.000 0.270 759 S C 1.303 175.898 174.600 -0.007 0.000 1.243 759 S CA -0.187 58.101 58.200 0.146 0.000 0.999 759 S CB 1.015 64.255 63.200 0.068 0.000 0.973 759 S HN 0.414 nan 8.310 nan 0.000 0.544 760 T N -0.428 113.927 114.554 -0.331 0.000 3.086 760 T HA 0.260 4.646 4.350 0.060 0.000 0.250 760 T C 0.215 174.319 174.700 -0.994 0.000 1.074 760 T CA -0.170 61.264 62.100 -1.110 0.000 0.988 760 T CB -0.231 68.098 68.868 -0.898 0.000 0.988 760 T HN 0.439 nan 8.240 nan 0.000 0.530 761 T N 2.541 116.853 114.554 -0.402 0.000 2.792 761 T HA 0.698 5.084 4.350 0.060 0.000 0.280 761 T C -0.672 174.008 174.700 -0.033 0.000 0.990 761 T CA -0.557 61.425 62.100 -0.198 0.000 0.960 761 T CB 1.327 70.138 68.868 -0.096 0.000 0.939 761 T HN 0.273 nan 8.240 nan 0.000 0.439 762 I N 2.929 123.535 120.570 0.060 0.000 2.534 762 I HA 0.295 4.501 4.170 0.060 0.000 0.288 762 I C -1.230 174.981 176.117 0.156 0.000 1.077 762 I CA -1.181 60.194 61.300 0.125 0.000 1.051 762 I CB 2.034 40.134 38.000 0.167 0.000 1.234 762 I HN 0.586 nan 8.210 nan 0.000 0.425 763 Y N 7.288 127.602 120.300 0.024 0.000 2.359 763 Y HA 0.511 5.097 4.550 0.060 0.000 0.334 763 Y C -0.930 174.966 175.900 -0.008 0.000 1.058 763 Y CA -0.477 57.636 58.100 0.022 0.000 1.244 763 Y CB 0.746 39.233 38.460 0.046 0.000 1.187 763 Y HN 0.356 nan 8.280 nan 0.000 0.510 764 L N 9.867 130.798 121.223 -0.487 0.000 2.301 764 L HA 0.354 4.730 4.340 0.060 0.000 0.278 764 L C -1.689 174.680 176.870 -0.835 0.000 1.022 764 L CA -1.787 52.736 54.840 -0.528 0.000 0.854 764 L CB 1.576 43.471 42.059 -0.275 0.000 1.226 764 L HN 0.535 nan 8.230 nan 0.000 0.429 765 P HA -0.128 nan 4.420 nan 0.000 0.221 765 P C 0.212 177.390 177.300 -0.204 0.000 1.150 765 P CA 1.046 63.815 63.100 -0.551 0.000 0.800 765 P CB 0.491 32.111 31.700 -0.132 0.000 0.787 766 K N 0.251 120.550 120.400 -0.168 0.000 2.740 766 K HA 0.337 4.693 4.320 0.060 0.000 0.246 766 K C -1.491 175.043 176.600 -0.109 0.000 1.021 766 K CA -0.475 55.763 56.287 -0.082 0.000 1.021 766 K CB 1.749 34.245 32.500 -0.007 0.000 1.233 766 K HN -0.313 nan 8.250 nan 0.000 0.497 767 V N 3.325 123.137 119.914 -0.170 0.000 2.432 767 V HA 0.380 4.536 4.120 0.060 0.000 0.275 767 V C -0.050 176.083 176.094 0.065 0.000 1.043 767 V CA -0.338 61.842 62.300 -0.201 0.000 0.925 767 V CB 1.034 32.470 31.823 -0.645 0.000 0.985 767 V HN 0.844 nan 8.190 nan 0.000 0.466 768 S N 5.580 121.354 115.700 0.123 0.000 2.569 768 S HA 0.796 5.302 4.470 0.060 0.000 0.280 768 S C -0.905 173.731 174.600 0.060 0.000 1.111 768 S CA -1.150 57.143 58.200 0.156 0.000 0.887 768 S CB 2.461 65.696 63.200 0.059 0.000 1.095 768 S HN 0.619 nan 8.310 nan 0.000 0.476 769 R N 0.873 121.302 120.500 -0.118 0.000 2.740 769 R HA 0.652 5.028 4.340 0.060 0.000 0.282 769 R C -0.029 176.161 176.300 -0.183 0.000 0.969 769 R CA -0.654 55.316 56.100 -0.215 0.000 0.918 769 R CB 2.230 32.225 30.300 -0.507 0.000 1.175 769 R HN 0.946 nan 8.270 nan 0.000 0.464 770 S N 0.770 116.386 115.700 -0.141 0.000 2.634 770 S HA 0.218 4.724 4.470 0.060 0.000 0.261 770 S C 1.302 175.826 174.600 -0.126 0.000 1.271 770 S CA -0.095 58.039 58.200 -0.111 0.000 0.985 770 S CB 1.453 64.604 63.200 -0.083 0.000 0.968 770 S HN 0.719 nan 8.310 nan 0.000 0.568 771 A N 1.267 124.030 122.820 -0.095 0.000 1.940 771 A HA -0.040 4.316 4.320 0.060 0.000 0.219 771 A C 2.270 179.802 177.584 -0.087 0.000 1.176 771 A CA 1.929 53.913 52.037 -0.088 0.000 0.631 771 A CB -1.430 17.533 19.000 -0.062 0.000 0.814 771 A HN 1.434 nan 8.150 nan 0.000 0.446 772 S N -0.665 114.987 115.700 -0.079 0.000 2.605 772 S HA 0.552 5.058 4.470 0.060 0.000 0.217 772 S C 0.781 175.331 174.600 -0.083 0.000 0.958 772 S CA 0.252 58.409 58.200 -0.071 0.000 0.919 772 S CB -0.668 62.498 63.200 -0.057 0.000 0.780 772 S HN 0.885 nan 8.310 nan 0.000 0.507 773 A N 2.174 124.929 122.820 -0.109 0.000 2.546 773 A HA 0.273 4.629 4.320 0.060 0.000 0.243 773 A C 0.484 178.006 177.584 -0.103 0.000 1.063 773 A CA -0.009 51.956 52.037 -0.119 0.000 0.757 773 A CB 0.114 19.011 19.000 -0.172 0.000 0.991 773 A HN 0.550 nan 8.150 nan 0.000 0.503 774 Q N 0.979 120.732 119.800 -0.078 0.000 2.235 774 Q HA 0.512 4.888 4.340 0.060 0.000 0.250 774 Q C 0.734 176.708 176.000 -0.043 0.000 0.909 774 Q CA 0.762 56.531 55.803 -0.056 0.000 0.910 774 Q CB 1.595 30.307 28.738 -0.043 0.000 1.223 774 Q HN 1.665 nan 8.270 nan 0.000 0.432 775 G N 1.030 109.812 108.800 -0.030 0.000 2.681 775 G HA2 -0.293 3.704 3.960 0.060 0.000 0.220 775 G HA3 -0.293 3.704 3.960 0.060 0.000 0.220 775 G C 0.274 175.180 174.900 0.009 0.000 1.353 775 G CA 0.040 45.138 45.100 -0.004 0.000 0.872 775 G HN 0.711 nan 8.290 nan 0.000 0.557 776 T N -3.011 111.577 114.554 0.058 0.000 3.084 776 T HA 0.575 4.961 4.350 0.060 0.000 0.270 776 T C 0.808 175.653 174.700 0.241 0.000 1.008 776 T CA 1.448 63.618 62.100 0.117 0.000 0.900 776 T CB 0.105 69.024 68.868 0.086 0.000 1.084 776 T HN 2.110 nan 8.240 nan 0.000 0.538 777 T N -1.240 113.451 114.554 0.228 0.000 2.883 777 T HA 0.692 5.078 4.350 0.060 0.000 0.296 777 T C -1.485 173.408 174.700 0.322 0.000 1.117 777 T CA -0.752 61.523 62.100 0.292 0.000 1.006 777 T CB 2.746 71.695 68.868 0.135 0.000 1.191 777 T HN 0.261 nan 8.240 nan 0.000 0.508 778 Q N 0.156 120.173 119.800 0.363 0.000 2.309 778 Q HA 0.381 4.757 4.340 0.060 0.000 0.273 778 Q C -1.367 174.753 176.000 0.200 0.000 1.040 778 Q CA -0.575 55.398 55.803 0.283 0.000 0.834 778 Q CB 2.506 31.518 28.738 0.457 0.000 1.345 778 Q HN 0.843 nan 8.270 nan 0.000 0.414 779 E N 3.403 123.665 120.200 0.102 0.000 2.313 779 E HA 0.365 4.751 4.350 0.060 0.000 0.276 779 E C -1.053 175.703 176.600 0.260 0.000 1.031 779 E CA -0.162 56.334 56.400 0.159 0.000 0.857 779 E CB 0.733 30.510 29.700 0.128 0.000 1.040 779 E HN 0.490 nan 8.360 nan 0.000 0.408 780 L N 3.617 125.068 121.223 0.380 0.000 2.323 780 L HA 0.575 4.951 4.340 0.060 0.000 0.265 780 L C -0.421 176.785 176.870 0.560 0.000 1.012 780 L CA -0.928 54.202 54.840 0.482 0.000 0.820 780 L CB 1.847 44.103 42.059 0.329 0.000 1.334 780 L HN 0.542 nan 8.230 nan 0.000 0.427 781 K N 0.304 120.930 120.400 0.377 0.000 2.512 781 K HA 0.805 5.161 4.320 0.060 0.000 0.263 781 K C -1.855 174.583 176.600 -0.269 0.000 0.966 781 K CA -0.819 55.450 56.287 -0.030 0.000 0.851 781 K CB 2.800 34.949 32.500 -0.584 0.000 1.395 781 K HN 0.302 nan 8.250 nan 0.000 0.440 782 V N 1.622 121.099 119.914 -0.729 0.000 2.735 782 V HA 0.664 4.820 4.120 0.060 0.000 0.310 782 V C -1.658 174.087 176.094 -0.583 0.000 1.061 782 V CA -0.584 61.241 62.300 -0.791 0.000 0.913 782 V CB 2.046 32.950 31.823 -1.533 0.000 1.005 782 V HN 0.664 nan 8.190 nan 0.000 0.428 783 V N 5.387 125.086 119.914 -0.360 0.000 2.709 783 V HA 0.795 4.951 4.120 0.060 0.000 0.308 783 V C 0.259 176.244 176.094 -0.182 0.000 1.062 783 V CA -0.290 61.855 62.300 -0.259 0.000 0.901 783 V CB 1.800 33.518 31.823 -0.175 0.000 1.003 783 V HN 1.188 nan 8.190 nan 0.000 0.425 784 A N 4.111 126.831 122.820 -0.167 0.000 2.328 784 A HA 0.724 5.080 4.320 0.060 0.000 0.284 784 A C -0.427 176.920 177.584 -0.395 0.000 1.160 784 A CA -0.339 51.538 52.037 -0.266 0.000 0.818 784 A CB 0.763 19.675 19.000 -0.147 0.000 1.087 784 A HN 0.755 nan 8.150 nan 0.000 0.504 785 V N 3.101 122.627 119.914 -0.647 0.000 2.350 785 V HA 0.494 4.650 4.120 0.060 0.000 0.276 785 V C 1.152 176.904 176.094 -0.570 0.000 1.028 785 V CA -0.229 61.673 62.300 -0.664 0.000 0.860 785 V CB 0.873 32.018 31.823 -1.131 0.000 0.990 785 V HN 1.111 nan 8.190 nan 0.000 0.453 786 G N 3.291 111.883 108.800 -0.347 0.000 2.544 786 G HA2 0.177 4.173 3.960 0.060 0.000 0.242 786 G HA3 0.177 4.173 3.960 0.060 0.000 0.242 786 G C 0.683 175.453 174.900 -0.216 0.000 1.247 786 G CA -0.431 44.520 45.100 -0.250 0.000 0.840 786 G HN 0.803 nan 8.290 nan 0.000 0.578 787 K N 0.477 120.780 120.400 -0.161 0.000 2.360 787 K HA -0.126 4.230 4.320 0.060 0.000 0.201 787 K C 1.634 178.162 176.600 -0.120 0.000 1.046 787 K CA 1.311 57.528 56.287 -0.118 0.000 0.940 787 K CB 0.117 32.569 32.500 -0.081 0.000 0.748 787 K HN 0.628 nan 8.250 nan 0.000 0.465 788 N N -0.502 118.129 118.700 -0.115 0.000 2.268 788 N HA 0.011 4.787 4.740 0.060 0.000 0.204 788 N C 0.889 176.338 175.510 -0.101 0.000 1.124 788 N CA 0.782 53.774 53.050 -0.096 0.000 0.838 788 N CB 0.678 39.124 38.487 -0.069 0.000 0.994 788 N HN 0.179 nan 8.380 nan 0.000 0.489 789 G N -0.574 108.147 108.800 -0.130 0.000 2.179 789 G HA2 -0.265 3.731 3.960 0.060 0.000 0.260 789 G HA3 -0.265 3.731 3.960 0.060 0.000 0.260 789 G C -0.326 174.517 174.900 -0.095 0.000 0.977 789 G CA 0.439 45.469 45.100 -0.116 0.000 0.641 789 G HN 0.314 nan 8.290 nan 0.000 0.533 790 V N 1.767 121.621 119.914 -0.100 0.000 2.439 790 V HA 0.478 4.634 4.120 0.060 0.000 0.282 790 V C 1.105 177.119 176.094 -0.132 0.000 1.039 790 V CA -0.768 61.482 62.300 -0.084 0.000 0.913 790 V CB 1.405 33.196 31.823 -0.052 0.000 0.983 790 V HN 0.376 nan 8.190 nan 0.000 0.460 791 R N 2.448 122.872 120.500 -0.127 0.000 2.539 791 R HA 0.367 4.743 4.340 0.060 0.000 0.275 791 R C 0.634 176.845 176.300 -0.148 0.000 1.077 791 R CA -0.167 55.836 56.100 -0.162 0.000 1.097 791 R CB 0.976 31.184 30.300 -0.153 0.000 1.018 791 R HN 0.909 nan 8.270 nan 0.000 0.483 792 S N 1.442 117.042 115.700 -0.167 0.000 2.634 792 S HA 0.133 4.639 4.470 0.060 0.000 0.261 792 S C 0.139 174.641 174.600 -0.164 0.000 1.271 792 S CA -0.972 57.140 58.200 -0.147 0.000 0.985 792 S CB 0.931 64.045 63.200 -0.143 0.000 0.968 792 S HN 0.375 nan 8.310 nan 0.000 0.568 793 E N 0.537 120.648 120.200 -0.148 0.000 2.418 793 E HA 0.363 4.749 4.350 0.060 0.000 0.261 793 E C 0.365 176.833 176.600 -0.220 0.000 1.070 793 E CA 0.060 56.357 56.400 -0.171 0.000 0.931 793 E CB 0.378 30.000 29.700 -0.130 0.000 0.954 793 E HN 0.813 nan 8.360 nan 0.000 0.439 794 A N 1.222 123.875 122.820 -0.278 0.000 2.371 794 A HA 0.506 4.862 4.320 0.060 0.000 0.257 794 A C -0.030 177.391 177.584 -0.272 0.000 1.089 794 A CA 0.084 51.913 52.037 -0.347 0.000 0.794 794 A CB 0.445 19.150 19.000 -0.491 0.000 1.029 794 A HN 0.550 nan 8.150 nan 0.000 0.488 795 A N 1.562 124.189 122.820 -0.321 0.000 2.312 795 A HA 0.754 5.110 4.320 0.060 0.000 0.326 795 A C 0.413 177.933 177.584 -0.107 0.000 1.172 795 A CA 0.166 52.081 52.037 -0.202 0.000 0.821 795 A CB 0.493 19.351 19.000 -0.237 0.000 1.166 795 A HN 1.581 nan 8.150 nan 0.000 0.493 796 T N -1.213 113.421 114.554 0.133 0.000 2.924 796 T HA 0.819 5.205 4.350 0.060 0.000 0.291 796 T C -0.233 174.674 174.700 0.344 0.000 1.045 796 T CA -0.419 61.847 62.100 0.278 0.000 1.015 796 T CB 1.873 70.843 68.868 0.170 0.000 1.103 796 T HN 0.926 nan 8.240 nan 0.000 0.496 797 T N -0.161 114.549 114.554 0.260 0.000 2.762 797 T HA 0.630 5.016 4.350 0.060 0.000 0.301 797 T C -1.409 173.327 174.700 0.060 0.000 1.299 797 T CA -0.510 61.604 62.100 0.024 0.000 1.005 797 T CB 1.766 70.435 68.868 -0.333 0.000 1.377 797 T HN 0.835 nan 8.240 nan 0.000 0.504 798 T N 2.357 116.917 114.554 0.009 0.000 2.791 798 T HA 0.493 4.879 4.350 0.060 0.000 0.288 798 T C -1.013 173.703 174.700 0.026 0.000 0.999 798 T CA -0.301 61.830 62.100 0.052 0.000 0.952 798 T CB 0.273 69.160 68.868 0.032 0.000 0.938 798 T HN 0.438 nan 8.240 nan 0.000 0.444 799 F N 3.678 123.583 119.950 -0.075 0.000 2.438 799 F HA 0.365 4.928 4.527 0.061 0.000 0.356 799 F C 0.262 175.974 175.800 -0.145 0.000 1.099 799 F CA -0.805 57.095 58.000 -0.166 0.000 1.185 799 F CB 0.569 39.428 39.000 -0.235 0.000 1.115 799 F HN 0.387 nan 8.300 nan 0.000 0.526 800 D N 5.919 125.888 120.400 -0.717 0.000 2.412 800 D HA 0.101 4.777 4.640 0.060 0.000 0.224 800 D C 0.156 176.154 176.300 -0.504 0.000 1.093 800 D CA -0.377 53.384 54.000 -0.398 0.000 0.850 800 D CB 0.336 40.975 40.800 -0.268 0.000 1.046 800 D HN 0.594 nan 8.370 nan 0.000 0.507 801 W N 2.962 124.193 121.300 -0.116 0.000 2.465 801 W HA 0.134 4.830 4.660 0.060 0.000 0.268 801 W C 2.091 178.589 176.519 -0.035 0.000 1.242 801 W CA 0.740 58.095 57.345 0.017 0.000 1.248 801 W CB 0.069 29.616 29.460 0.145 0.000 1.118 801 W HN 0.711 nan 8.180 nan 0.000 0.587 802 G N 0.821 109.703 108.800 0.137 0.000 2.155 802 G HA2 -0.307 3.689 3.960 0.060 0.000 0.257 802 G HA3 -0.307 3.689 3.960 0.060 0.000 0.257 802 G C 0.063 175.020 174.900 0.094 0.000 0.983 802 G CA 0.533 45.676 45.100 0.072 0.000 0.676 802 G HN 0.385 nan 8.290 nan 0.000 0.528 803 M N -2.111 117.571 119.600 0.137 0.000 2.660 803 M HA 0.592 5.108 4.480 0.060 0.000 0.281 803 M C -0.180 176.150 176.300 0.050 0.000 1.131 803 M CA -0.402 54.949 55.300 0.085 0.000 0.858 803 M CB 0.821 33.473 32.600 0.087 0.000 1.732 803 M HN 0.652 nan 8.290 nan 0.000 0.516 804 T N -0.814 113.740 114.554 0.001 0.000 2.824 804 T HA 0.528 4.914 4.350 0.060 0.000 0.277 804 T C 0.896 175.542 174.700 -0.090 0.000 0.975 804 T CA -0.615 61.456 62.100 -0.048 0.000 0.966 804 T CB 1.469 70.315 68.868 -0.037 0.000 1.054 804 T HN 0.528 nan 8.240 nan 0.000 0.533 805 V N 0.446 120.281 119.914 -0.132 0.000 2.379 805 V HA 0.075 4.231 4.120 0.060 0.000 0.245 805 V C 1.360 177.398 176.094 -0.093 0.000 1.044 805 V CA 1.463 63.671 62.300 -0.153 0.000 1.036 805 V CB -0.747 30.968 31.823 -0.181 0.000 0.664 805 V HN 0.785 nan 8.190 nan 0.000 0.453 806 K N 0.000 120.359 120.400 -0.069 0.000 2.780 806 K HA 0.000 4.356 4.320 0.060 0.000 0.191 806 K CA 0.000 56.258 56.287 -0.048 0.000 0.838 806 K CB 0.000 32.473 32.500 -0.045 0.000 1.064 806 K HN 0.000 nan 8.250 nan 0.000 0.543