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 1djy_1_A DATA FIRST_RESID 200 DATA SEQUENCE EIETFYKMLT QRAEIDRAFE EAAGSAETLS VERLVTFLQH QQREEEAGPA DATA SEQUENCE LALSLIERYE PSETAKAQRQ MTKDGFLMYL LSADGNAFSL AHRRVYQDMD DATA SEQUENCE QPLSHYLVSS SHNTYLLEDQ LTGPSSTEAY IRALCKGCRC LELDCWDGPN DATA SEQUENCE QEPIIYHGYT FTSKILFCDV LRAIRDYAFK ASPYPVILSL ENHCSLEQQR DATA SEQUENCE VMARHLRAIL GPILLDQPLD GVTTSLPSPE QLKGKILLKG KKLXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXKLV PELSDMIIYC DATA SEQUENCE KSVHFGGFSS PGTSGQAFYE MASFSESRAL RLLQESGNGF VRHNVSCLSR DATA SEQUENCE IYPAGWRTDS SNYSPVEMWN GGCQIVALNF QTPGPEMDVY LGCFQDNGGC DATA SEQUENCE GYVLKPAFLR DPNTTFNSRA LTQGPWWRPE RLRVRIISGQ QLPKVNKNKN DATA SEQUENCE SIVDPKVIVE IHGVGRDTGS RQTAVITNNG FNPRWDMEFE FEVTVPDLAL DATA SEQUENCE VRFMVEDYDS SSKNDFIGQS TIPWNSLKQG YRHVHLLSKN GDQHPSATLF DATA SEQUENCE VKISIQD 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 200 E HA 0.000 nan 4.350 nan 0.000 0.291 200 E C 0.000 176.676 176.600 0.127 0.000 1.382 200 E CA 0.000 56.448 56.400 0.080 0.000 0.976 200 E CB 0.000 29.722 29.700 0.037 0.000 0.812 201 I N 1.367 121.978 120.570 0.070 0.000 3.419 201 I HA 0.654 4.824 4.170 -0.000 0.000 0.286 201 I C 2.297 178.502 176.117 0.148 0.000 1.268 201 I CA 2.398 63.727 61.300 0.049 0.000 1.414 201 I CB -0.847 37.120 38.000 -0.055 0.000 1.074 201 I HN 0.806 nan 8.210 nan 0.000 0.457 202 E N 0.231 120.503 120.200 0.120 0.000 2.038 202 E HA 0.028 4.378 4.350 -0.000 0.000 0.190 202 E C 2.420 179.123 176.600 0.172 0.000 0.967 202 E CA 1.739 58.212 56.400 0.121 0.000 0.816 202 E CB -1.602 28.139 29.700 0.068 0.000 0.784 202 E HN 0.827 nan 8.360 nan 0.000 0.456 203 T N 0.132 114.766 114.554 0.134 0.000 2.653 203 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 203 T C 1.853 176.650 174.700 0.161 0.000 1.035 203 T CA 2.247 64.418 62.100 0.119 0.000 1.154 203 T CB -0.711 68.210 68.868 0.089 0.000 0.862 203 T HN 0.348 nan 8.240 nan 0.000 0.441 204 F N 0.428 120.405 119.950 0.044 0.000 2.034 204 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 204 F C 2.236 178.072 175.800 0.060 0.000 1.193 204 F CA 2.524 60.547 58.000 0.038 0.000 1.208 204 F CB -0.959 38.066 39.000 0.042 0.000 0.945 204 F HN 0.330 nan 8.300 nan 0.000 0.521 205 Y N 1.038 121.457 120.300 0.198 0.000 2.181 205 Y HA -0.267 4.283 4.550 -0.000 0.000 0.284 205 Y C 2.244 178.138 175.900 -0.011 0.000 1.179 205 Y CA 2.317 60.444 58.100 0.046 0.000 1.179 205 Y CB -0.438 38.109 38.460 0.145 0.000 0.973 205 Y HN 0.158 nan 8.280 nan 0.000 0.519 206 K N -0.698 119.806 120.400 0.174 0.000 2.525 206 K HA -0.062 4.258 4.320 -0.000 0.000 0.192 206 K C 1.652 178.229 176.600 -0.038 0.000 1.029 206 K CA 0.926 57.252 56.287 0.065 0.000 1.029 206 K CB 0.047 32.613 32.500 0.109 0.000 0.814 206 K HN 0.454 nan 8.250 nan 0.000 0.503 207 M N -0.335 119.219 119.600 -0.077 0.000 2.740 207 M HA 0.088 4.568 4.480 -0.000 0.000 0.253 207 M C 1.361 177.562 176.300 -0.165 0.000 1.341 207 M CA 0.391 55.630 55.300 -0.101 0.000 1.176 207 M CB 0.549 33.108 32.600 -0.068 0.000 1.310 207 M HN -0.011 nan 8.290 nan 0.000 0.531 208 L N 0.402 121.440 121.223 -0.309 0.000 2.275 208 L HA -0.027 4.313 4.340 -0.000 0.000 0.215 208 L C 0.113 176.940 176.870 -0.071 0.000 1.119 208 L CA 1.115 55.766 54.840 -0.316 0.000 0.790 208 L CB -0.569 41.080 42.059 -0.684 0.000 0.919 208 L HN 0.274 nan 8.230 nan 0.000 0.443 209 T N 0.628 115.037 114.554 -0.242 0.000 3.336 209 T HA 0.315 4.665 4.350 -0.000 0.000 0.384 209 T C 0.016 174.609 174.700 -0.178 0.000 1.704 209 T CA -0.150 61.797 62.100 -0.255 0.000 1.334 209 T CB 0.862 69.431 68.868 -0.498 0.000 1.131 209 T HN 0.049 nan 8.240 nan 0.000 0.684 210 Q N 2.341 122.059 119.800 -0.138 0.000 2.567 210 Q HA 0.221 4.561 4.340 -0.000 0.000 0.233 210 Q C -1.058 174.869 176.000 -0.122 0.000 0.833 210 Q CA -0.285 55.450 55.803 -0.114 0.000 0.844 210 Q CB 1.497 30.185 28.738 -0.083 0.000 1.423 210 Q HN 0.553 nan 8.270 nan 0.000 0.442 211 R N 1.426 121.842 120.500 -0.139 0.000 2.332 211 R HA 0.411 4.751 4.340 -0.000 0.000 0.306 211 R C 1.011 177.244 176.300 -0.112 0.000 1.117 211 R CA 0.045 56.053 56.100 -0.153 0.000 1.108 211 R CB 1.033 31.200 30.300 -0.222 0.000 1.126 211 R HN 0.639 nan 8.270 nan 0.000 0.548 212 A N 3.118 125.893 122.820 -0.075 0.000 1.917 212 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 212 A C 2.025 179.600 177.584 -0.016 0.000 1.182 212 A CA 1.872 53.886 52.037 -0.038 0.000 0.633 212 A CB -0.220 18.766 19.000 -0.023 0.000 0.819 212 A HN 0.802 nan 8.150 nan 0.000 0.448 213 E N -0.003 120.189 120.200 -0.013 0.000 2.160 213 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 213 E C 1.810 178.425 176.600 0.024 0.000 0.991 213 E CA 1.552 57.986 56.400 0.058 0.000 0.810 213 E CB -0.496 29.284 29.700 0.134 0.000 0.742 213 E HN 0.501 nan 8.360 nan 0.000 0.466 214 I N 2.374 122.883 120.570 -0.102 0.000 2.233 214 I HA -0.176 3.994 4.170 -0.000 0.000 0.243 214 I C 1.893 178.053 176.117 0.071 0.000 1.093 214 I CA 1.144 62.394 61.300 -0.085 0.000 1.380 214 I CB -1.161 36.731 38.000 -0.180 0.000 1.067 214 I HN 0.035 nan 8.210 nan 0.000 0.413 215 D N 0.682 121.091 120.400 0.014 0.000 2.108 215 D HA -0.229 4.411 4.640 -0.000 0.000 0.190 215 D C 2.261 178.607 176.300 0.077 0.000 0.995 215 D CA 1.304 55.324 54.000 0.034 0.000 0.834 215 D CB -0.387 40.411 40.800 -0.003 0.000 0.967 215 D HN 0.143 nan 8.370 nan 0.000 0.446 216 R N 0.360 120.892 120.500 0.054 0.000 2.134 216 R HA -0.248 4.092 4.340 -0.000 0.000 0.248 216 R C 2.181 178.520 176.300 0.065 0.000 1.143 216 R CA 2.017 58.153 56.100 0.060 0.000 0.957 216 R CB -0.337 30.004 30.300 0.069 0.000 0.867 216 R HN 0.195 nan 8.270 nan 0.000 0.441 217 A N -0.298 122.565 122.820 0.072 0.000 1.902 217 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 217 A C 1.997 179.580 177.584 -0.003 0.000 1.181 217 A CA 1.318 53.379 52.037 0.040 0.000 0.623 217 A CB -0.722 18.241 19.000 -0.063 0.000 0.818 217 A HN 0.488 nan 8.150 nan 0.000 0.443 218 F N 0.732 120.539 119.950 -0.238 0.000 2.102 218 F HA -0.138 4.388 4.527 -0.000 0.000 0.298 218 F C 2.173 177.747 175.800 -0.377 0.000 1.105 218 F CA 2.166 59.758 58.000 -0.679 0.000 1.239 218 F CB -0.399 38.286 39.000 -0.526 0.000 0.991 218 F HN 0.358 nan 8.300 nan 0.000 0.474 219 E N 0.063 120.227 120.200 -0.060 0.000 2.035 219 E HA -0.337 4.013 4.350 -0.000 0.000 0.204 219 E C 2.063 178.577 176.600 -0.143 0.000 1.025 219 E CA 2.193 58.545 56.400 -0.079 0.000 0.835 219 E CB -0.309 29.398 29.700 0.012 0.000 0.764 219 E HN 0.677 nan 8.360 nan 0.000 0.457 220 E N 0.590 120.750 120.200 -0.067 0.000 2.130 220 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 220 E C 1.851 178.419 176.600 -0.053 0.000 0.998 220 E CA 1.565 57.955 56.400 -0.017 0.000 0.806 220 E CB -0.279 29.468 29.700 0.079 0.000 0.738 220 E HN 0.268 nan 8.360 nan 0.000 0.459 221 A N 0.936 123.662 122.820 -0.157 0.000 1.935 221 A HA 0.354 4.674 4.320 -0.000 0.000 0.214 221 A C 2.367 179.739 177.584 -0.354 0.000 1.178 221 A CA 1.093 53.022 52.037 -0.180 0.000 0.640 221 A CB -0.406 18.426 19.000 -0.281 0.000 0.825 221 A HN 0.377 nan 8.150 nan 0.000 0.447 222 A N -1.363 121.100 122.820 -0.596 0.000 2.218 222 A HA 0.454 4.774 4.320 -0.000 0.000 0.209 222 A C 1.803 179.209 177.584 -0.296 0.000 1.168 222 A CA 1.302 52.984 52.037 -0.592 0.000 0.804 222 A CB -1.021 17.346 19.000 -1.054 0.000 0.834 222 A HN 1.818 nan 8.150 nan 0.000 0.482 223 G N 0.228 108.903 108.800 -0.209 0.000 2.622 223 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.307 223 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.307 223 G C 1.378 176.226 174.900 -0.085 0.000 1.226 223 G CA 1.711 46.745 45.100 -0.111 0.000 0.997 223 G HN 1.378 nan 8.290 nan 0.000 0.551 224 S N 0.651 116.315 115.700 -0.059 0.000 2.478 224 S HA 0.571 5.041 4.470 -0.000 0.000 0.222 224 S C 1.536 176.121 174.600 -0.025 0.000 1.008 224 S CA 1.436 59.617 58.200 -0.032 0.000 0.928 224 S CB -0.206 62.980 63.200 -0.022 0.000 0.781 224 S HN 2.115 nan 8.310 nan 0.000 0.518 225 A N 1.734 124.527 122.820 -0.045 0.000 2.448 225 A HA 0.261 4.581 4.320 -0.000 0.000 0.239 225 A C 0.933 178.531 177.584 0.024 0.000 1.080 225 A CA -0.140 51.882 52.037 -0.026 0.000 0.779 225 A CB 0.073 19.043 19.000 -0.050 0.000 1.026 225 A HN 0.456 nan 8.150 nan 0.000 0.499 226 E N -0.766 119.471 120.200 0.061 0.000 2.474 226 E HA 0.069 4.419 4.350 -0.000 0.000 0.194 226 E C -0.211 176.524 176.600 0.226 0.000 1.041 226 E CA 0.737 57.214 56.400 0.130 0.000 0.874 226 E CB 0.262 30.000 29.700 0.063 0.000 0.914 226 E HN 0.826 nan 8.360 nan 0.000 0.498 227 T N -0.970 113.674 114.554 0.150 0.000 2.838 227 T HA 0.449 4.799 4.350 -0.000 0.000 0.292 227 T C -0.473 174.231 174.700 0.006 0.000 1.113 227 T CA -0.768 61.447 62.100 0.191 0.000 1.008 227 T CB 1.587 70.512 68.868 0.094 0.000 1.259 227 T HN -0.107 nan 8.240 nan 0.000 0.520 228 L N 2.742 123.963 121.223 -0.003 0.000 2.294 228 L HA 0.455 4.794 4.340 -0.000 0.000 0.283 228 L C 0.787 177.624 176.870 -0.054 0.000 1.015 228 L CA -0.760 53.992 54.840 -0.146 0.000 0.831 228 L CB 1.459 43.373 42.059 -0.241 0.000 1.217 228 L HN 0.967 nan 8.230 nan 0.000 0.420 229 S N 2.123 117.788 115.700 -0.058 0.000 2.593 229 S HA 0.148 4.618 4.470 -0.000 0.000 0.269 229 S C 1.303 175.891 174.600 -0.021 0.000 1.334 229 S CA -0.786 57.398 58.200 -0.027 0.000 1.015 229 S CB 1.801 64.984 63.200 -0.029 0.000 0.912 229 S HN 0.319 nan 8.310 nan 0.000 0.541 230 V N 1.815 121.726 119.914 -0.005 0.000 2.250 230 V HA -0.246 3.874 4.120 -0.000 0.000 0.250 230 V C 2.824 178.922 176.094 0.007 0.000 1.060 230 V CA 2.617 64.919 62.300 0.004 0.000 1.030 230 V CB -1.195 30.632 31.823 0.006 0.000 0.643 230 V HN 1.098 nan 8.190 nan 0.000 0.445 231 E N -0.393 119.808 120.200 0.001 0.000 2.086 231 E HA -0.292 4.058 4.350 -0.000 0.000 0.200 231 E C 2.454 179.057 176.600 0.005 0.000 1.012 231 E CA 1.688 58.089 56.400 0.002 0.000 0.812 231 E CB -0.083 29.613 29.700 -0.007 0.000 0.743 231 E HN 0.475 nan 8.360 nan 0.000 0.453 232 R N 0.034 120.526 120.500 -0.014 0.000 2.073 232 R HA -0.120 4.220 4.340 -0.000 0.000 0.229 232 R C 2.568 178.880 176.300 0.019 0.000 1.120 232 R CA 0.844 56.930 56.100 -0.024 0.000 0.967 232 R CB -0.796 29.451 30.300 -0.089 0.000 0.862 232 R HN 0.276 nan 8.270 nan 0.000 0.436 233 L N 1.049 122.278 121.223 0.009 0.000 2.012 233 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 233 L C 2.237 179.200 176.870 0.155 0.000 1.073 233 L CA 1.532 56.409 54.840 0.061 0.000 0.748 233 L CB -0.710 41.361 42.059 0.021 0.000 0.891 233 L HN -0.132 nan 8.230 nan 0.000 0.431 234 V N -0.346 119.624 119.914 0.092 0.000 2.392 234 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 234 V C 2.502 178.665 176.094 0.114 0.000 1.059 234 V CA 2.263 64.617 62.300 0.090 0.000 1.051 234 V CB -0.768 31.086 31.823 0.051 0.000 0.658 234 V HN 0.635 nan 8.190 nan 0.000 0.455 235 T N -0.090 114.530 114.554 0.112 0.000 2.708 235 T HA -0.231 4.119 4.350 -0.000 0.000 0.266 235 T C 1.639 176.457 174.700 0.197 0.000 1.037 235 T CA 2.039 64.207 62.100 0.113 0.000 1.146 235 T CB -0.446 68.466 68.868 0.074 0.000 0.865 235 T HN 0.503 nan 8.240 nan 0.000 0.435 236 F N 1.996 122.000 119.950 0.091 0.000 2.069 236 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 236 F C 1.967 177.862 175.800 0.158 0.000 1.113 236 F CA 1.212 59.306 58.000 0.156 0.000 1.214 236 F CB -0.578 38.522 39.000 0.167 0.000 0.978 236 F HN 0.030 nan 8.300 nan 0.000 0.474 237 L N -0.341 121.017 121.223 0.226 0.000 2.127 237 L HA -0.264 4.076 4.340 -0.000 0.000 0.211 237 L C 2.446 179.313 176.870 -0.006 0.000 1.089 237 L CA 1.695 56.581 54.840 0.076 0.000 0.757 237 L CB -0.731 41.401 42.059 0.122 0.000 0.899 237 L HN 0.337 nan 8.230 nan 0.000 0.434 238 Q N -1.890 117.933 119.800 0.038 0.000 2.259 238 Q HA -0.116 4.224 4.340 -0.000 0.000 0.201 238 Q C 2.176 178.206 176.000 0.049 0.000 0.938 238 Q CA 0.580 56.404 55.803 0.036 0.000 0.872 238 Q CB 0.225 28.995 28.738 0.055 0.000 0.971 238 Q HN 0.495 nan 8.270 nan 0.000 0.494 239 H N -0.961 118.075 119.070 -0.058 0.000 2.465 239 H HA 0.058 4.614 4.556 -0.000 0.000 0.289 239 H C 1.426 176.687 175.328 -0.112 0.000 1.022 239 H CA 0.623 56.634 56.048 -0.062 0.000 1.340 239 H CB 0.862 30.611 29.762 -0.022 0.000 1.437 239 H HN 0.156 nan 8.280 nan 0.000 0.539 240 Q N 0.031 119.669 119.800 -0.269 0.000 2.389 240 Q HA 0.014 4.354 4.340 -0.000 0.000 0.201 240 Q C 1.949 177.716 176.000 -0.389 0.000 0.956 240 Q CA 0.347 55.895 55.803 -0.425 0.000 0.871 240 Q CB 0.143 28.585 28.738 -0.494 0.000 0.990 240 Q HN 0.477 nan 8.270 nan 0.000 0.554 241 Q N 1.199 120.755 119.800 -0.406 0.000 2.482 241 Q HA 0.051 4.391 4.340 -0.000 0.000 0.209 241 Q C -0.205 175.704 176.000 -0.152 0.000 0.961 241 Q CA 0.029 55.689 55.803 -0.238 0.000 0.945 241 Q CB -0.024 28.640 28.738 -0.124 0.000 1.012 241 Q HN 0.339 nan 8.270 nan 0.000 0.515 242 R N 1.555 121.962 120.500 -0.154 0.000 3.314 242 R HA -0.158 4.182 4.340 -0.000 0.000 0.243 242 R C -0.555 175.705 176.300 -0.067 0.000 0.954 242 R CA 0.589 56.627 56.100 -0.103 0.000 0.645 242 R CB -1.794 28.435 30.300 -0.118 0.000 1.022 242 R HN 0.325 nan 8.270 nan 0.000 0.468 243 E N 1.344 121.518 120.200 -0.042 0.000 2.383 243 E HA 0.021 4.371 4.350 -0.000 0.000 0.264 243 E C 1.115 177.708 176.600 -0.013 0.000 1.050 243 E CA -0.174 56.214 56.400 -0.020 0.000 0.896 243 E CB 0.727 30.432 29.700 0.009 0.000 0.982 243 E HN 0.184 nan 8.360 nan 0.000 0.424 244 E N 1.920 122.111 120.200 -0.015 0.000 2.057 244 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 244 E C 0.773 177.375 176.600 0.003 0.000 0.969 244 E CA 0.602 56.998 56.400 -0.007 0.000 0.812 244 E CB 0.087 29.780 29.700 -0.011 0.000 0.777 244 E HN 0.509 nan 8.360 nan 0.000 0.455 245 E N 1.440 121.643 120.200 0.004 0.000 2.405 245 E HA 0.140 4.490 4.350 -0.000 0.000 0.194 245 E C -0.053 176.557 176.600 0.016 0.000 1.149 245 E CA -0.269 56.138 56.400 0.011 0.000 0.933 245 E CB -0.031 29.676 29.700 0.011 0.000 1.028 245 E HN 0.089 nan 8.360 nan 0.000 0.487 246 A N 1.316 124.146 122.820 0.017 0.000 2.546 246 A HA 0.398 4.718 4.320 -0.000 0.000 0.243 246 A C 0.678 178.276 177.584 0.024 0.000 1.063 246 A CA 0.899 52.951 52.037 0.025 0.000 0.757 246 A CB 0.314 19.329 19.000 0.026 0.000 0.991 246 A HN 0.270 nan 8.150 nan 0.000 0.503 247 G N 2.633 111.449 108.800 0.026 0.000 2.384 247 G HA2 0.436 4.396 3.960 -0.000 0.000 0.300 247 G HA3 0.436 4.396 3.960 -0.000 0.000 0.300 247 G C -2.157 172.756 174.900 0.022 0.000 1.582 247 G CA -0.050 45.063 45.100 0.022 0.000 0.875 247 G HN 0.322 nan 8.290 nan 0.000 0.628 248 P HA -0.241 nan 4.420 nan 0.000 0.219 248 P C 2.127 179.435 177.300 0.014 0.000 1.153 248 P CA 2.721 65.831 63.100 0.016 0.000 0.865 248 P CB 0.137 31.844 31.700 0.012 0.000 0.788 249 A N -0.995 121.833 122.820 0.014 0.000 1.892 249 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 249 A C 2.221 179.813 177.584 0.014 0.000 1.188 249 A CA 2.003 54.047 52.037 0.013 0.000 0.631 249 A CB -1.632 17.376 19.000 0.013 0.000 0.822 249 A HN 0.228 nan 8.150 nan 0.000 0.447 250 L N -0.552 120.682 121.223 0.019 0.000 2.023 250 L HA 0.052 4.392 4.340 -0.000 0.000 0.205 250 L C 2.782 179.661 176.870 0.016 0.000 1.073 250 L CA 2.122 56.976 54.840 0.023 0.000 0.745 250 L CB -0.927 41.150 42.059 0.029 0.000 0.900 250 L HN 0.358 nan 8.230 nan 0.000 0.435 251 A N -0.332 122.496 122.820 0.014 0.000 1.940 251 A HA -0.261 4.059 4.320 -0.000 0.000 0.221 251 A C 2.294 179.883 177.584 0.008 0.000 1.190 251 A CA 2.419 54.460 52.037 0.007 0.000 0.647 251 A CB -1.070 17.941 19.000 0.018 0.000 0.821 251 A HN 0.527 nan 8.150 nan 0.000 0.457 252 L N -0.198 121.031 121.223 0.010 0.000 2.056 252 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 252 L C 2.970 179.841 176.870 0.002 0.000 1.078 252 L CA 1.652 56.496 54.840 0.007 0.000 0.749 252 L CB -0.734 41.328 42.059 0.005 0.000 0.901 252 L HN 0.538 nan 8.230 nan 0.000 0.433 253 S N 0.600 116.302 115.700 0.002 0.000 2.370 253 S HA -0.198 4.272 4.470 -0.000 0.000 0.226 253 S C 1.970 176.560 174.600 -0.017 0.000 1.033 253 S CA 1.184 59.379 58.200 -0.009 0.000 1.011 253 S CB -0.698 62.506 63.200 0.007 0.000 0.852 253 S HN 0.302 nan 8.310 nan 0.000 0.457 254 L N 1.033 122.275 121.223 0.031 0.000 1.989 254 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 254 L C 2.561 179.495 176.870 0.107 0.000 1.071 254 L CA 1.453 56.366 54.840 0.121 0.000 0.749 254 L CB -0.778 41.300 42.059 0.031 0.000 0.890 254 L HN 0.273 nan 8.230 nan 0.000 0.431 255 I N -0.001 120.604 120.570 0.059 0.000 2.163 255 I HA -0.303 3.866 4.170 -0.000 0.000 0.243 255 I C 2.423 178.551 176.117 0.018 0.000 1.085 255 I CA 1.538 62.874 61.300 0.060 0.000 1.347 255 I CB -0.360 37.664 38.000 0.040 0.000 1.044 255 I HN 0.317 nan 8.210 nan 0.000 0.408 256 E N 0.077 120.264 120.200 -0.021 0.000 2.204 256 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 256 E C 2.240 178.778 176.600 -0.103 0.000 0.989 256 E CA 0.743 57.115 56.400 -0.045 0.000 0.824 256 E CB -0.032 29.642 29.700 -0.044 0.000 0.756 256 E HN 0.394 nan 8.360 nan 0.000 0.477 257 R N -0.690 119.689 120.500 -0.202 0.000 2.105 257 R HA 0.004 4.344 4.340 -0.000 0.000 0.214 257 R C 1.073 177.082 176.300 -0.485 0.000 1.091 257 R CA 0.869 56.695 56.100 -0.457 0.000 1.007 257 R CB 0.293 30.107 30.300 -0.811 0.000 0.912 257 R HN 0.164 nan 8.270 nan 0.000 0.450 258 Y N -0.560 119.781 120.300 0.068 0.000 2.430 258 Y HA 0.232 4.782 4.550 -0.000 0.000 0.248 258 Y C -0.056 175.887 175.900 0.071 0.000 1.108 258 Y CA -0.542 57.608 58.100 0.083 0.000 1.264 258 Y CB 0.258 38.800 38.460 0.138 0.000 1.172 258 Y HN -0.082 nan 8.280 nan 0.000 0.520 259 E N 3.928 124.226 120.200 0.164 0.000 2.265 259 E HA 0.066 4.416 4.350 -0.000 0.000 0.272 259 E C -1.792 174.856 176.600 0.079 0.000 1.067 259 E CA -2.043 54.428 56.400 0.119 0.000 0.900 259 E CB 0.786 30.540 29.700 0.090 0.000 1.017 259 E HN 0.064 nan 8.360 nan 0.000 0.431 260 P HA -0.098 nan 4.420 nan 0.000 0.215 260 P C 0.164 177.485 177.300 0.036 0.000 1.157 260 P CA 0.483 63.615 63.100 0.053 0.000 0.859 260 P CB 0.000 31.730 31.700 0.049 0.000 0.786 261 S N 0.555 116.275 115.700 0.033 0.000 2.525 261 S HA -0.011 4.459 4.470 -0.000 0.000 0.285 261 S C 1.316 175.929 174.600 0.022 0.000 1.283 261 S CA -0.254 57.961 58.200 0.023 0.000 1.072 261 S CB 0.154 63.366 63.200 0.021 0.000 0.867 261 S HN -0.061 nan 8.310 nan 0.000 0.492 262 E N 3.845 124.055 120.200 0.016 0.000 2.107 262 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 262 E C 1.967 178.574 176.600 0.012 0.000 0.982 262 E CA 1.273 57.681 56.400 0.013 0.000 0.809 262 E CB -0.891 28.815 29.700 0.010 0.000 0.756 262 E HN 0.815 nan 8.360 nan 0.000 0.459 263 T N 1.518 116.079 114.554 0.012 0.000 2.545 263 T HA -0.157 4.193 4.350 -0.000 0.000 0.261 263 T C 1.962 176.671 174.700 0.015 0.000 1.097 263 T CA 2.033 64.140 62.100 0.012 0.000 1.189 263 T CB -0.486 68.388 68.868 0.011 0.000 0.863 263 T HN 0.299 nan 8.240 nan 0.000 0.405 264 A N 1.231 124.063 122.820 0.020 0.000 1.986 264 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 264 A C 2.184 179.785 177.584 0.027 0.000 1.171 264 A CA 2.361 54.414 52.037 0.026 0.000 0.640 264 A CB -0.646 18.376 19.000 0.036 0.000 0.811 264 A HN 0.524 nan 8.150 nan 0.000 0.451 265 K N -0.443 119.972 120.400 0.025 0.000 1.985 265 K HA -0.049 4.271 4.320 -0.000 0.000 0.210 265 K C 2.213 178.822 176.600 0.015 0.000 1.047 265 K CA 1.390 57.691 56.287 0.023 0.000 0.932 265 K CB -0.422 32.090 32.500 0.019 0.000 0.716 265 K HN 0.341 nan 8.250 nan 0.000 0.439 266 A N 0.786 123.613 122.820 0.012 0.000 1.940 266 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 266 A C 1.763 179.352 177.584 0.009 0.000 1.176 266 A CA 1.661 53.703 52.037 0.008 0.000 0.631 266 A CB -0.490 18.514 19.000 0.007 0.000 0.814 266 A HN 0.526 nan 8.150 nan 0.000 0.446 267 Q N -1.258 118.549 119.800 0.011 0.000 2.373 267 Q HA 0.161 4.501 4.340 -0.000 0.000 0.206 267 Q C -0.538 175.469 176.000 0.011 0.000 0.942 267 Q CA -0.196 55.612 55.803 0.010 0.000 0.953 267 Q CB 0.106 28.850 28.738 0.010 0.000 1.022 267 Q HN 0.568 nan 8.270 nan 0.000 0.502 268 R N 0.883 121.390 120.500 0.013 0.000 3.267 268 R HA -0.201 4.139 4.340 -0.000 0.000 0.254 268 R C -0.726 175.584 176.300 0.017 0.000 0.993 268 R CA 0.548 56.656 56.100 0.013 0.000 0.670 268 R CB -1.660 28.646 30.300 0.009 0.000 1.125 268 R HN 0.370 nan 8.270 nan 0.000 0.434 269 Q N -0.196 119.619 119.800 0.025 0.000 2.456 269 Q HA 0.616 4.956 4.340 -0.000 0.000 0.283 269 Q C -0.872 175.161 176.000 0.055 0.000 1.084 269 Q CA -0.991 54.831 55.803 0.032 0.000 0.801 269 Q CB 2.678 31.434 28.738 0.030 0.000 1.434 269 Q HN 0.214 nan 8.270 nan 0.000 0.419 270 M N 1.657 121.302 119.600 0.075 0.000 2.321 270 M HA 0.392 4.872 4.480 -0.000 0.000 0.315 270 M C -0.552 175.865 176.300 0.195 0.000 1.052 270 M CA -0.371 55.006 55.300 0.128 0.000 0.936 270 M CB 1.822 34.508 32.600 0.144 0.000 1.639 270 M HN 0.817 nan 8.290 nan 0.000 0.433 271 T N 0.521 115.157 114.554 0.137 0.000 2.862 271 T HA 0.344 4.694 4.350 -0.000 0.000 0.276 271 T C 0.857 175.452 174.700 -0.176 0.000 0.974 271 T CA -0.591 61.528 62.100 0.030 0.000 0.966 271 T CB 1.374 70.228 68.868 -0.024 0.000 1.072 271 T HN 0.877 nan 8.240 nan 0.000 0.538 272 K N 0.035 119.988 120.400 -0.745 0.000 2.063 272 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 272 K C 1.503 177.942 176.600 -0.268 0.000 1.048 272 K CA 1.945 57.616 56.287 -1.027 0.000 0.928 272 K CB -0.339 31.544 32.500 -1.028 0.000 0.713 272 K HN 0.617 nan 8.250 nan 0.000 0.442 273 D N -0.460 119.836 120.400 -0.172 0.000 2.092 273 D HA -0.139 4.501 4.640 -0.000 0.000 0.193 273 D C 1.817 178.142 176.300 0.041 0.000 0.994 273 D CA 1.561 55.531 54.000 -0.049 0.000 0.828 273 D CB -0.667 40.113 40.800 -0.033 0.000 0.963 273 D HN 0.429 nan 8.370 nan 0.000 0.450 274 G N -0.201 108.651 108.800 0.085 0.000 2.422 274 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 274 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 274 G C 1.460 176.510 174.900 0.250 0.000 1.146 274 G CA 0.349 45.552 45.100 0.171 0.000 0.769 274 G HN 0.185 nan 8.290 nan 0.000 0.547 275 F N 1.066 121.065 119.950 0.081 0.000 2.043 275 F HA -0.096 4.431 4.527 0.000 0.000 0.297 275 F C 2.354 178.229 175.800 0.125 0.000 1.121 275 F CA 1.432 59.517 58.000 0.141 0.000 1.199 275 F CB -0.646 38.460 39.000 0.177 0.000 0.968 275 F HN 0.123 nan 8.300 nan 0.000 0.478 276 L N 0.283 121.555 121.223 0.081 0.000 1.990 276 L HA -0.277 4.063 4.340 -0.000 0.000 0.213 276 L C 2.330 179.130 176.870 -0.117 0.000 1.072 276 L CA 2.010 56.798 54.840 -0.088 0.000 0.755 276 L CB -0.937 41.080 42.059 -0.071 0.000 0.889 276 L HN 0.186 nan 8.230 nan 0.000 0.432 277 M N -1.541 118.035 119.600 -0.040 0.000 2.106 277 M HA -0.272 4.208 4.480 -0.000 0.000 0.259 277 M C 2.370 178.519 176.300 -0.251 0.000 1.068 277 M CA 1.998 57.264 55.300 -0.057 0.000 1.100 277 M CB -1.396 31.262 32.600 0.097 0.000 1.351 277 M HN 0.509 nan 8.290 nan 0.000 0.404 278 Y N 1.253 121.324 120.300 -0.380 0.000 2.133 278 Y HA -0.149 4.401 4.550 -0.000 0.000 0.287 278 Y C 2.100 177.766 175.900 -0.390 0.000 1.134 278 Y CA 1.505 59.198 58.100 -0.678 0.000 1.133 278 Y CB -0.843 37.457 38.460 -0.267 0.000 0.987 278 Y HN 0.082 nan 8.280 nan 0.000 0.502 279 L N -0.002 120.840 121.223 -0.636 0.000 2.129 279 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 279 L C 2.039 178.852 176.870 -0.096 0.000 1.087 279 L CA 1.403 55.960 54.840 -0.472 0.000 0.757 279 L CB -0.474 41.464 42.059 -0.202 0.000 0.896 279 L HN 0.348 nan 8.230 nan 0.000 0.434 280 L N -1.204 119.893 121.223 -0.209 0.000 2.607 280 L HA 0.079 4.419 4.340 -0.000 0.000 0.228 280 L C 1.424 178.246 176.870 -0.080 0.000 1.123 280 L CA -0.360 54.367 54.840 -0.189 0.000 0.890 280 L CB 0.015 41.896 42.059 -0.297 0.000 1.103 280 L HN 0.218 nan 8.230 nan 0.000 0.468 281 S N -0.473 115.094 115.700 -0.223 0.000 2.655 281 S HA 0.403 4.873 4.470 -0.000 0.000 0.265 281 S C 1.439 175.985 174.600 -0.090 0.000 1.240 281 S CA -0.073 58.020 58.200 -0.177 0.000 0.986 281 S CB 1.593 64.484 63.200 -0.516 0.000 0.985 281 S HN 0.101 nan 8.310 nan 0.000 0.562 282 A N 0.095 122.908 122.820 -0.012 0.000 2.131 282 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 282 A C 1.691 179.297 177.584 0.036 0.000 1.158 282 A CA 1.531 53.564 52.037 -0.007 0.000 0.665 282 A CB -0.879 18.140 19.000 0.032 0.000 0.795 282 A HN 0.877 nan 8.150 nan 0.000 0.460 283 D N -0.879 119.561 120.400 0.067 0.000 2.249 283 D HA -0.015 4.625 4.640 -0.000 0.000 0.205 283 D C 1.718 178.012 176.300 -0.009 0.000 0.962 283 D CA 1.203 55.288 54.000 0.141 0.000 0.860 283 D CB -0.003 41.041 40.800 0.407 0.000 0.955 283 D HN 0.480 nan 8.370 nan 0.000 0.505 284 G N 0.263 108.915 108.800 -0.246 0.000 3.233 284 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.234 284 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.234 284 G C 0.693 175.541 174.900 -0.086 0.000 1.137 284 G CA -0.289 44.584 45.100 -0.377 0.000 0.763 284 G HN 0.001 nan 8.290 nan 0.000 0.549 285 N N 1.105 119.809 118.700 0.007 0.000 2.492 285 N HA 0.219 4.959 4.740 -0.000 0.000 0.260 285 N C 1.499 177.037 175.510 0.046 0.000 1.215 285 N CA 0.406 53.519 53.050 0.105 0.000 0.923 285 N CB 1.577 40.113 38.487 0.082 0.000 1.092 285 N HN 0.006 nan 8.380 nan 0.000 0.448 286 A N 3.886 126.725 122.820 0.032 0.000 2.121 286 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 286 A C 0.662 178.252 177.584 0.010 0.000 1.154 286 A CA 0.569 52.579 52.037 -0.044 0.000 0.679 286 A CB -0.316 18.606 19.000 -0.130 0.000 0.795 286 A HN 0.589 nan 8.150 nan 0.000 0.458 287 F N 1.324 121.253 119.950 -0.035 0.000 2.375 287 F HA 0.405 4.932 4.527 -0.000 0.000 0.362 287 F C 0.962 176.736 175.800 -0.044 0.000 1.129 287 F CA -1.227 56.761 58.000 -0.020 0.000 1.154 287 F CB 0.525 39.533 39.000 0.014 0.000 1.205 287 F HN 0.016 nan 8.300 nan 0.000 0.513 288 S N 6.673 122.434 115.700 0.102 0.000 3.361 288 S HA -0.138 4.332 4.470 -0.000 0.000 0.396 288 S C 1.508 176.160 174.600 0.087 0.000 1.165 288 S CA -0.366 57.821 58.200 -0.022 0.000 1.192 288 S CB -0.348 62.629 63.200 -0.372 0.000 0.843 288 S HN 0.804 nan 8.310 nan 0.000 0.528 289 L N 6.246 127.494 121.223 0.041 0.000 2.129 289 L HA -0.045 4.295 4.340 -0.000 0.000 0.212 289 L C 2.361 179.237 176.870 0.010 0.000 1.087 289 L CA 2.571 57.437 54.840 0.043 0.000 0.757 289 L CB -1.358 40.727 42.059 0.044 0.000 0.896 289 L HN 0.833 nan 8.230 nan 0.000 0.434 290 A N -1.764 121.002 122.820 -0.091 0.000 1.969 290 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 290 A C 1.917 179.439 177.584 -0.104 0.000 1.169 290 A CA 1.410 53.370 52.037 -0.129 0.000 0.635 290 A CB -0.846 18.005 19.000 -0.249 0.000 0.810 290 A HN 0.650 nan 8.150 nan 0.000 0.445 291 H N -0.429 118.539 119.070 -0.170 0.000 2.555 291 H HA 0.127 4.683 4.556 -0.000 0.000 0.269 291 H C 1.023 176.465 175.328 0.190 0.000 0.988 291 H CA 0.488 56.432 56.048 -0.174 0.000 1.178 291 H CB -0.068 29.670 29.762 -0.041 0.000 1.373 291 H HN 0.460 nan 8.280 nan 0.000 0.588 292 R N 1.348 121.994 120.500 0.244 0.000 2.547 292 R HA 0.137 4.477 4.340 -0.000 0.000 0.258 292 R C -0.045 176.349 176.300 0.156 0.000 1.115 292 R CA -0.050 56.145 56.100 0.158 0.000 1.152 292 R CB 0.099 30.417 30.300 0.030 0.000 1.221 292 R HN 0.318 nan 8.270 nan 0.000 0.539 293 R N -2.573 118.069 120.500 0.237 0.000 2.643 293 R HA 0.256 4.596 4.340 -0.000 0.000 0.269 293 R C -0.952 175.541 176.300 0.323 0.000 1.037 293 R CA -0.975 55.257 56.100 0.218 0.000 0.894 293 R CB 0.972 31.372 30.300 0.167 0.000 1.238 293 R HN -0.207 nan 8.270 nan 0.000 0.459 294 V N 3.886 123.945 119.914 0.241 0.000 2.486 294 V HA -0.089 4.031 4.120 -0.000 0.000 0.290 294 V C -0.090 176.138 176.094 0.222 0.000 0.991 294 V CA 0.747 63.163 62.300 0.194 0.000 1.142 294 V CB -1.155 30.778 31.823 0.182 0.000 0.926 294 V HN 0.898 nan 8.190 nan 0.000 0.472 295 Y N 2.185 122.534 120.300 0.082 0.000 2.672 295 Y HA 0.513 5.063 4.550 -0.000 0.000 0.252 295 Y C 0.452 176.382 175.900 0.050 0.000 1.132 295 Y CA -0.844 57.303 58.100 0.078 0.000 1.228 295 Y CB -0.150 38.379 38.460 0.115 0.000 1.310 295 Y HN 0.527 nan 8.280 nan 0.000 0.549 296 Q N 0.583 120.109 119.800 -0.457 0.000 2.286 296 Q HA 0.205 4.545 4.340 -0.000 0.000 0.250 296 Q C -1.123 174.808 176.000 -0.114 0.000 1.021 296 Q CA -1.178 54.415 55.803 -0.349 0.000 0.930 296 Q CB 1.028 29.482 28.738 -0.473 0.000 1.266 296 Q HN 0.109 nan 8.270 nan 0.000 0.491 297 D N 1.191 121.557 120.400 -0.057 0.000 2.342 297 D HA 0.028 4.668 4.640 -0.000 0.000 0.260 297 D C -0.189 176.174 176.300 0.105 0.000 1.278 297 D CA 0.067 54.073 54.000 0.011 0.000 0.910 297 D CB 0.611 41.410 40.800 -0.001 0.000 1.079 297 D HN 0.352 nan 8.370 nan 0.000 0.496 298 M N 2.541 122.159 119.600 0.031 0.000 2.551 298 M HA 0.134 4.614 4.480 -0.000 0.000 0.252 298 M C 0.032 176.300 176.300 -0.052 0.000 1.219 298 M CA -0.087 55.165 55.300 -0.080 0.000 0.978 298 M CB -0.015 32.478 32.600 -0.179 0.000 1.533 298 M HN 0.248 nan 8.290 nan 0.000 0.474 299 D N 0.101 120.531 120.400 0.050 0.000 2.431 299 D HA 0.147 4.787 4.640 -0.000 0.000 0.213 299 D C 0.353 176.659 176.300 0.009 0.000 1.130 299 D CA 0.181 54.184 54.000 0.006 0.000 0.834 299 D CB 0.935 41.732 40.800 -0.006 0.000 0.985 299 D HN 0.410 nan 8.370 nan 0.000 0.504 300 Q N 1.071 120.943 119.800 0.120 0.000 2.221 300 Q HA 0.357 4.697 4.340 -0.000 0.000 0.242 300 Q C -2.497 173.509 176.000 0.010 0.000 0.940 300 Q CA -1.909 53.865 55.803 -0.049 0.000 0.896 300 Q CB 0.901 29.527 28.738 -0.186 0.000 1.226 300 Q HN -0.121 nan 8.270 nan 0.000 0.463 301 P HA -0.071 nan 4.420 nan 0.000 0.266 301 P C 0.548 177.926 177.300 0.129 0.000 1.195 301 P CA 0.243 63.252 63.100 -0.152 0.000 0.768 301 P CB 0.498 32.050 31.700 -0.246 0.000 0.838 302 L N 2.019 123.334 121.223 0.153 0.000 2.054 302 L HA -0.322 4.018 4.340 -0.000 0.000 0.220 302 L C 2.276 179.398 176.870 0.419 0.000 1.081 302 L CA 2.672 57.688 54.840 0.295 0.000 0.780 302 L CB -1.287 40.888 42.059 0.194 0.000 0.893 302 L HN 0.506 nan 8.230 nan 0.000 0.438 303 S N -1.855 114.033 115.700 0.314 0.000 2.488 303 S HA -0.228 4.242 4.470 -0.000 0.000 0.246 303 S C 1.458 176.232 174.600 0.290 0.000 0.992 303 S CA 1.113 59.493 58.200 0.299 0.000 0.963 303 S CB -0.777 62.594 63.200 0.285 0.000 0.754 303 S HN 0.585 nan 8.310 nan 0.000 0.519 304 H N -0.946 118.137 119.070 0.021 0.000 2.551 304 H HA 0.256 4.812 4.556 -0.000 0.000 0.271 304 H C -0.553 174.494 175.328 -0.469 0.000 0.984 304 H CA -0.038 55.847 56.048 -0.271 0.000 1.164 304 H CB 0.250 29.750 29.762 -0.436 0.000 1.437 304 H HN 0.478 nan 8.280 nan 0.000 0.550 305 Y N 0.436 120.806 120.300 0.118 0.000 2.509 305 Y HA 0.326 4.876 4.550 -0.000 0.000 0.341 305 Y C -0.077 175.859 175.900 0.060 0.000 1.038 305 Y CA -0.962 57.181 58.100 0.072 0.000 1.089 305 Y CB 1.574 40.141 38.460 0.179 0.000 1.241 305 Y HN -0.130 nan 8.280 nan 0.000 0.468 306 L N 2.987 124.290 121.223 0.133 0.000 2.305 306 L HA 0.506 4.846 4.340 -0.000 0.000 0.281 306 L C -0.682 176.346 176.870 0.262 0.000 1.085 306 L CA -0.807 54.102 54.840 0.115 0.000 0.813 306 L CB 0.817 42.754 42.059 -0.204 0.000 1.157 306 L HN 0.342 nan 8.230 nan 0.000 0.436 307 V N 1.911 121.941 119.914 0.194 0.000 2.581 307 V HA 0.206 4.326 4.120 -0.000 0.000 0.303 307 V C 0.277 176.215 176.094 -0.261 0.000 1.041 307 V CA -0.566 61.643 62.300 -0.152 0.000 0.907 307 V CB 1.923 33.651 31.823 -0.158 0.000 0.994 307 V HN 0.795 nan 8.190 nan 0.000 0.442 308 S N 3.433 118.679 115.700 -0.757 0.000 2.405 308 S HA 0.404 4.874 4.470 -0.000 0.000 0.291 308 S C 0.056 174.534 174.600 -0.204 0.000 1.137 308 S CA -0.465 57.252 58.200 -0.806 0.000 1.061 308 S CB -0.236 62.354 63.200 -1.017 0.000 1.001 308 S HN 0.830 nan 8.310 nan 0.000 0.507 309 S N 3.641 119.409 115.700 0.114 0.000 2.566 309 S HA 0.778 5.248 4.470 -0.000 0.000 0.298 309 S C -0.428 174.167 174.600 -0.008 0.000 1.083 309 S CA -0.939 57.279 58.200 0.031 0.000 0.978 309 S CB 1.803 65.072 63.200 0.115 0.000 1.073 309 S HN 0.847 nan 8.310 nan 0.000 0.491 310 S N 0.359 115.959 115.700 -0.167 0.000 2.677 310 S HA 0.596 5.066 4.470 -0.000 0.000 0.304 310 S C -1.149 173.426 174.600 -0.042 0.000 1.108 310 S CA -0.800 57.294 58.200 -0.178 0.000 0.944 310 S CB 1.384 64.274 63.200 -0.518 0.000 1.127 310 S HN 0.876 nan 8.310 nan 0.000 0.511 311 H N 1.030 120.013 119.070 -0.145 0.000 2.547 311 H HA 0.334 4.890 4.556 -0.000 0.000 0.342 311 H C -0.712 174.443 175.328 -0.288 0.000 1.048 311 H CA -0.223 55.737 56.048 -0.146 0.000 1.204 311 H CB 0.557 30.276 29.762 -0.072 0.000 1.493 311 H HN 0.823 nan 8.280 nan 0.000 0.511 312 N N 3.897 122.065 118.700 -0.886 0.000 2.669 312 N HA -0.158 4.582 4.740 -0.000 0.000 0.266 312 N C 0.857 175.708 175.510 -1.098 0.000 1.024 312 N CA 1.318 53.705 53.050 -1.106 0.000 0.766 312 N CB -1.021 36.682 38.487 -1.307 0.000 0.898 312 N HN 0.724 nan 8.380 nan 0.000 0.548 313 T N -1.479 112.618 114.554 -0.762 0.000 2.849 313 T HA -0.231 4.119 4.350 -0.000 0.000 0.270 313 T C 1.576 175.688 174.700 -0.979 0.000 1.066 313 T CA 1.730 63.351 62.100 -0.797 0.000 1.130 313 T CB -0.324 68.051 68.868 -0.822 0.000 0.864 313 T HN 0.695 nan 8.240 nan 0.000 0.481 314 Y N 0.766 120.650 120.300 -0.694 0.000 2.574 314 Y HA 0.315 4.865 4.550 -0.000 0.000 0.294 314 Y C 0.768 176.561 175.900 -0.177 0.000 1.142 314 Y CA -0.462 57.429 58.100 -0.348 0.000 1.314 314 Y CB -1.073 37.459 38.460 0.121 0.000 0.991 314 Y HN 0.127 nan 8.280 nan 0.000 0.555 315 L N 1.537 122.468 121.223 -0.488 0.000 2.349 315 L HA 0.153 4.493 4.340 -0.000 0.000 0.275 315 L C 0.871 177.643 176.870 -0.164 0.000 1.115 315 L CA -0.247 54.442 54.840 -0.252 0.000 0.820 315 L CB 1.529 43.353 42.059 -0.391 0.000 1.135 315 L HN 0.301 nan 8.230 nan 0.000 0.445 316 L N 1.664 122.849 121.223 -0.064 0.000 2.515 316 L HA 0.191 4.531 4.340 -0.000 0.000 0.223 316 L C 1.003 177.848 176.870 -0.042 0.000 1.079 316 L CA 0.447 55.259 54.840 -0.048 0.000 0.857 316 L CB 0.369 42.422 42.059 -0.010 0.000 1.050 316 L HN 0.751 nan 8.230 nan 0.000 0.476 317 E N -0.412 119.768 120.200 -0.034 0.000 4.452 317 E HA 0.094 4.444 4.350 -0.000 0.000 0.189 317 E C -0.893 175.690 176.600 -0.029 0.000 1.163 317 E CA -0.558 55.828 56.400 -0.024 0.000 0.841 317 E CB 0.177 29.878 29.700 0.001 0.000 2.367 317 E HN 0.153 nan 8.360 nan 0.000 0.483 318 D N 0.199 120.597 120.400 -0.003 0.000 2.398 318 D HA -0.000 4.640 4.640 -0.000 0.000 0.247 318 D C 0.605 176.914 176.300 0.015 0.000 1.227 318 D CA -0.200 53.802 54.000 0.004 0.000 0.980 318 D CB 0.561 41.375 40.800 0.023 0.000 1.106 318 D HN 0.055 nan 8.370 nan 0.000 0.493 319 Q N -0.285 119.534 119.800 0.031 0.000 2.360 319 Q HA 0.166 4.505 4.340 -0.000 0.000 0.202 319 Q C 1.420 177.563 176.000 0.239 0.000 0.915 319 Q CA 0.356 56.211 55.803 0.086 0.000 0.943 319 Q CB 0.334 29.111 28.738 0.065 0.000 1.064 319 Q HN 0.608 nan 8.270 nan 0.000 0.511 320 L N -0.541 120.755 121.223 0.121 0.000 2.445 320 L HA 0.099 4.439 4.340 -0.000 0.000 0.207 320 L C 1.632 178.540 176.870 0.063 0.000 1.053 320 L CA 1.457 56.329 54.840 0.052 0.000 0.841 320 L CB 0.234 42.274 42.059 -0.032 0.000 1.074 320 L HN 0.140 nan 8.230 nan 0.000 0.479 321 T N -3.540 111.076 114.554 0.104 0.000 3.328 321 T HA 0.258 4.608 4.350 -0.000 0.000 0.305 321 T C 0.669 175.452 174.700 0.139 0.000 0.939 321 T CA 0.090 62.292 62.100 0.171 0.000 0.950 321 T CB 0.114 69.091 68.868 0.182 0.000 1.182 321 T HN 0.097 nan 8.240 nan 0.000 0.545 322 G N 2.582 111.449 108.800 0.112 0.000 2.616 322 G HA2 0.590 4.550 3.960 -0.000 0.000 0.268 322 G HA3 0.590 4.550 3.960 -0.000 0.000 0.268 322 G C -2.799 172.162 174.900 0.103 0.000 1.213 322 G CA -1.343 43.808 45.100 0.085 0.000 0.926 322 G HN 0.253 nan 8.290 nan 0.000 0.523 323 P HA 0.333 nan 4.420 nan 0.000 0.284 323 P C -0.621 176.745 177.300 0.111 0.000 1.258 323 P CA -0.391 62.762 63.100 0.088 0.000 0.824 323 P CB 1.838 33.573 31.700 0.058 0.000 1.038 324 S N 0.375 116.163 115.700 0.147 0.000 2.593 324 S HA 0.670 5.140 4.470 -0.000 0.000 0.297 324 S C -0.366 174.323 174.600 0.148 0.000 1.112 324 S CA -0.291 58.036 58.200 0.212 0.000 1.043 324 S CB 0.829 64.198 63.200 0.281 0.000 1.054 324 S HN 0.591 nan 8.310 nan 0.000 0.516 325 S N 0.135 115.932 115.700 0.162 0.000 2.558 325 S HA 0.307 4.777 4.470 -0.000 0.000 0.277 325 S C 0.773 175.478 174.600 0.175 0.000 1.143 325 S CA -0.158 58.116 58.200 0.123 0.000 0.865 325 S CB 0.670 63.909 63.200 0.065 0.000 1.102 325 S HN 0.786 nan 8.310 nan 0.000 0.454 326 T N 0.925 115.569 114.554 0.149 0.000 2.915 326 T HA -0.038 4.312 4.350 -0.000 0.000 0.269 326 T C 1.461 176.228 174.700 0.111 0.000 1.071 326 T CA 1.571 63.773 62.100 0.171 0.000 1.132 326 T CB -0.459 68.440 68.868 0.052 0.000 0.878 326 T HN 0.629 nan 8.240 nan 0.000 0.479 327 E N 2.435 122.661 120.200 0.043 0.000 2.085 327 E HA -0.065 4.285 4.350 -0.000 0.000 0.194 327 E C 2.284 178.864 176.600 -0.035 0.000 0.994 327 E CA 1.496 57.884 56.400 -0.020 0.000 0.801 327 E CB -0.921 28.770 29.700 -0.016 0.000 0.743 327 E HN 0.608 nan 8.360 nan 0.000 0.453 328 A N -0.674 122.135 122.820 -0.019 0.000 1.933 328 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 328 A C 2.022 179.506 177.584 -0.167 0.000 1.175 328 A CA 1.593 53.565 52.037 -0.109 0.000 0.628 328 A CB -0.910 17.993 19.000 -0.161 0.000 0.814 328 A HN 0.458 nan 8.150 nan 0.000 0.444 329 Y N -0.431 119.813 120.300 -0.093 0.000 2.314 329 Y HA -0.017 4.533 4.550 -0.000 0.000 0.293 329 Y C 2.155 177.948 175.900 -0.178 0.000 1.129 329 Y CA 1.117 59.142 58.100 -0.125 0.000 1.201 329 Y CB -0.242 38.163 38.460 -0.093 0.000 0.999 329 Y HN 0.218 nan 8.280 nan 0.000 0.541 330 I N -0.264 120.256 120.570 -0.084 0.000 2.202 330 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 330 I C 2.292 178.264 176.117 -0.242 0.000 1.091 330 I CA 1.307 62.401 61.300 -0.343 0.000 1.368 330 I CB -0.344 37.322 38.000 -0.556 0.000 1.058 330 I HN 0.129 nan 8.210 nan 0.000 0.410 331 R N 0.851 121.263 120.500 -0.146 0.000 2.091 331 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 331 R C 2.410 178.702 176.300 -0.014 0.000 1.136 331 R CA 1.585 57.643 56.100 -0.069 0.000 0.959 331 R CB -0.572 29.704 30.300 -0.039 0.000 0.856 331 R HN 0.383 nan 8.270 nan 0.000 0.437 332 A N 1.295 124.078 122.820 -0.062 0.000 1.898 332 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 332 A C 2.218 179.746 177.584 -0.094 0.000 1.181 332 A CA 0.974 52.946 52.037 -0.109 0.000 0.620 332 A CB -0.456 18.297 19.000 -0.412 0.000 0.819 332 A HN 0.164 nan 8.150 nan 0.000 0.442 333 L N -0.796 120.373 121.223 -0.089 0.000 2.083 333 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 333 L C 2.558 179.444 176.870 0.027 0.000 1.083 333 L CA 1.127 55.942 54.840 -0.042 0.000 0.752 333 L CB -0.492 41.557 42.059 -0.017 0.000 0.899 333 L HN 0.488 nan 8.230 nan 0.000 0.433 334 C N -0.386 118.928 119.300 0.024 0.000 2.446 334 C HA -0.102 4.358 4.460 -0.000 0.000 0.279 334 C C 2.317 177.363 174.990 0.092 0.000 1.366 334 C CA 0.426 59.485 59.018 0.069 0.000 1.763 334 C CB -0.752 27.013 27.740 0.042 0.000 1.929 334 C HN 0.364 nan 8.230 nan 0.000 0.509 335 K N 0.314 120.788 120.400 0.123 0.000 2.522 335 K HA 0.200 4.520 4.320 -0.000 0.000 0.194 335 K C 1.460 178.194 176.600 0.223 0.000 1.026 335 K CA 0.686 57.086 56.287 0.189 0.000 1.119 335 K CB -0.051 32.623 32.500 0.290 0.000 0.856 335 K HN 0.568 nan 8.250 nan 0.000 0.513 336 G N 1.242 110.129 108.800 0.146 0.000 2.195 336 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.246 336 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.246 336 G C 0.432 175.347 174.900 0.025 0.000 0.984 336 G CA -0.075 45.090 45.100 0.109 0.000 0.633 336 G HN 0.417 nan 8.290 nan 0.000 0.525 337 C N 1.638 120.921 119.300 -0.028 0.000 2.502 337 C HA 0.410 4.870 4.460 -0.000 0.000 0.404 337 C C 2.026 176.897 174.990 -0.199 0.000 1.409 337 C CA 0.795 59.662 59.018 -0.252 0.000 1.648 337 C CB 0.033 27.373 27.740 -0.666 0.000 2.571 337 C HN 0.513 nan 8.230 nan 0.000 0.601 338 R N 2.593 122.960 120.500 -0.221 0.000 2.250 338 R HA 0.159 4.499 4.340 -0.000 0.000 0.194 338 R C 0.471 176.714 176.300 -0.094 0.000 0.927 338 R CA 0.376 56.392 56.100 -0.139 0.000 1.052 338 R CB -0.427 29.739 30.300 -0.222 0.000 1.055 338 R HN 0.731 nan 8.270 nan 0.000 0.537 339 C N 2.882 122.111 119.300 -0.120 0.000 2.301 339 C HA 0.652 5.111 4.460 -0.000 0.000 0.323 339 C C -0.315 174.632 174.990 -0.072 0.000 1.265 339 C CA -0.698 58.293 59.018 -0.045 0.000 1.503 339 C CB -0.746 26.994 27.740 -0.000 0.000 2.195 339 C HN 0.226 nan 8.230 nan 0.000 0.477 340 L N 4.696 125.906 121.223 -0.021 0.000 2.330 340 L HA 0.652 4.992 4.340 -0.000 0.000 0.271 340 L C -0.214 176.703 176.870 0.079 0.000 1.013 340 L CA -0.418 54.425 54.840 0.006 0.000 0.816 340 L CB 1.651 43.779 42.059 0.114 0.000 1.287 340 L HN 0.667 nan 8.230 nan 0.000 0.435 341 E N 2.115 122.360 120.200 0.074 0.000 2.158 341 E HA 0.566 4.916 4.350 -0.000 0.000 0.271 341 E C -1.770 175.007 176.600 0.296 0.000 0.911 341 E CA -0.680 55.787 56.400 0.111 0.000 0.767 341 E CB 1.498 31.190 29.700 -0.013 0.000 1.120 341 E HN 0.376 nan 8.360 nan 0.000 0.405 342 L N 4.284 125.679 121.223 0.288 0.000 2.325 342 L HA 0.360 4.700 4.340 -0.000 0.000 0.281 342 L C -1.025 175.995 176.870 0.251 0.000 1.004 342 L CA -0.603 54.448 54.840 0.352 0.000 0.823 342 L CB 1.822 44.043 42.059 0.270 0.000 1.236 342 L HN 0.509 nan 8.230 nan 0.000 0.415 343 D N 2.187 122.738 120.400 0.252 0.000 2.473 343 D HA 0.293 4.933 4.640 -0.000 0.000 0.226 343 D C -0.767 175.600 176.300 0.111 0.000 1.089 343 D CA -0.185 53.928 54.000 0.189 0.000 0.883 343 D CB 0.846 41.850 40.800 0.341 0.000 1.029 343 D HN 0.391 nan 8.370 nan 0.000 0.517 344 C N 2.932 122.193 119.300 -0.065 0.000 2.415 344 C HA 0.563 5.023 4.460 -0.000 0.000 0.369 344 C C -0.065 174.712 174.990 -0.356 0.000 1.279 344 C CA -1.002 57.938 59.018 -0.131 0.000 1.886 344 C CB -1.007 26.581 27.740 -0.254 0.000 2.468 344 C HN 0.531 nan 8.230 nan 0.000 0.553 345 W N 0.616 121.929 121.300 0.022 0.000 3.033 345 W HA 0.390 5.050 4.660 -0.000 0.000 0.336 345 W C -0.541 175.989 176.519 0.018 0.000 1.173 345 W CA -0.534 56.842 57.345 0.051 0.000 1.185 345 W CB 0.636 30.176 29.460 0.134 0.000 1.425 345 W HN 0.470 nan 8.180 nan 0.000 0.536 346 D N 0.788 121.332 120.400 0.240 0.000 2.443 346 D HA 0.407 5.047 4.640 -0.000 0.000 0.239 346 D C 0.436 176.811 176.300 0.124 0.000 1.136 346 D CA 0.777 54.853 54.000 0.127 0.000 0.879 346 D CB 0.915 41.776 40.800 0.102 0.000 1.195 346 D HN 0.487 nan 8.370 nan 0.000 0.443 347 G N 0.951 109.793 108.800 0.070 0.000 2.816 347 G HA2 0.594 4.554 3.960 -0.000 0.000 0.288 347 G HA3 0.594 4.554 3.960 -0.000 0.000 0.288 347 G C -2.751 172.160 174.900 0.019 0.000 1.334 347 G CA -1.252 43.869 45.100 0.034 0.000 0.978 347 G HN 0.223 nan 8.290 nan 0.000 0.493 348 P HA 0.054 nan 4.420 nan 0.000 0.271 348 P C 0.480 177.787 177.300 0.012 0.000 1.244 348 P CA -0.101 62.998 63.100 -0.000 0.000 0.793 348 P CB 0.374 32.066 31.700 -0.014 0.000 0.984 349 N N 1.152 119.857 118.700 0.009 0.000 2.710 349 N HA -0.282 4.458 4.740 -0.000 0.000 0.249 349 N C -0.380 175.144 175.510 0.022 0.000 1.059 349 N CA 0.724 53.782 53.050 0.014 0.000 0.720 349 N CB -0.822 37.674 38.487 0.015 0.000 0.983 349 N HN 0.458 nan 8.380 nan 0.000 0.544 350 Q N -2.123 117.688 119.800 0.019 0.000 2.461 350 Q HA -0.208 4.132 4.340 -0.000 0.000 0.273 350 Q C -0.941 175.084 176.000 0.041 0.000 1.163 350 Q CA 1.330 57.145 55.803 0.021 0.000 0.929 350 Q CB -1.127 27.616 28.738 0.008 0.000 1.334 350 Q HN 0.605 nan 8.270 nan 0.000 0.499 351 E N 0.791 121.026 120.200 0.058 0.000 2.129 351 E HA 0.366 4.716 4.350 -0.000 0.000 0.268 351 E C -2.318 174.336 176.600 0.090 0.000 0.900 351 E CA -2.097 54.366 56.400 0.105 0.000 0.755 351 E CB 1.449 31.209 29.700 0.100 0.000 1.117 351 E HN -0.013 nan 8.360 nan 0.000 0.410 352 P HA 0.106 nan 4.420 nan 0.000 0.268 352 P C 0.069 177.432 177.300 0.106 0.000 1.205 352 P CA 0.149 63.280 63.100 0.052 0.000 0.771 352 P CB 0.461 32.109 31.700 -0.086 0.000 0.858 353 I N -0.605 120.040 120.570 0.124 0.000 3.237 353 I HA 0.653 4.823 4.170 -0.000 0.000 0.308 353 I C -0.666 175.586 176.117 0.225 0.000 1.093 353 I CA -1.492 59.898 61.300 0.149 0.000 1.001 353 I CB 2.027 40.083 38.000 0.092 0.000 1.245 353 I HN 0.085 nan 8.210 nan 0.000 0.485 354 I N 2.613 123.293 120.570 0.184 0.000 2.512 354 I HA 0.476 4.646 4.170 -0.000 0.000 0.287 354 I C -1.273 174.849 176.117 0.008 0.000 1.069 354 I CA -0.495 60.864 61.300 0.098 0.000 1.056 354 I CB 1.906 39.913 38.000 0.013 0.000 1.229 354 I HN 0.762 nan 8.210 nan 0.000 0.429 355 Y N 3.984 124.091 120.300 -0.321 0.000 2.788 355 Y HA 0.391 4.941 4.550 -0.000 0.000 0.335 355 Y C -1.260 174.544 175.900 -0.160 0.000 1.287 355 Y CA -1.309 56.589 58.100 -0.338 0.000 1.068 355 Y CB 0.952 39.306 38.460 -0.177 0.000 1.340 355 Y HN 0.455 nan 8.280 nan 0.000 0.449 356 H N 1.305 120.189 119.070 -0.310 0.000 2.820 356 H HA 0.419 4.975 4.556 -0.000 0.000 0.278 356 H C 0.453 175.290 175.328 -0.819 0.000 1.142 356 H CA -0.347 55.544 56.048 -0.262 0.000 1.346 356 H CB 0.357 30.159 29.762 0.067 0.000 1.438 356 H HN 1.133 nan 8.280 nan 0.000 0.473 357 G N 3.635 111.794 108.800 -1.068 0.000 2.138 357 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.244 357 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.244 357 G C -0.587 173.727 174.900 -0.975 0.000 1.166 357 G CA 0.253 44.359 45.100 -1.655 0.000 0.902 357 G HN 0.943 nan 8.290 nan 0.000 0.460 358 Y N -0.939 118.980 120.300 -0.635 0.000 4.366 358 Y HA -0.271 4.279 4.550 -0.000 0.000 0.236 358 Y C 1.337 177.076 175.900 -0.268 0.000 1.142 358 Y CA 1.092 58.991 58.100 -0.334 0.000 2.024 358 Y CB -2.555 35.743 38.460 -0.269 0.000 1.621 358 Y HN 1.172 nan 8.280 nan 0.000 0.694 359 T N -5.259 109.224 114.554 -0.120 0.000 2.696 359 T HA 0.719 5.069 4.350 -0.000 0.000 0.291 359 T C -0.086 174.779 174.700 0.275 0.000 1.095 359 T CA -0.773 61.290 62.100 -0.062 0.000 1.026 359 T CB 0.999 69.796 68.868 -0.119 0.000 1.390 359 T HN -0.149 nan 8.240 nan 0.000 0.513 360 F N 1.737 121.714 119.950 0.045 0.000 2.663 360 F HA 0.267 4.794 4.527 -0.000 0.000 0.299 360 F C 1.643 177.492 175.800 0.081 0.000 1.143 360 F CA -0.962 57.067 58.000 0.048 0.000 1.387 360 F CB -1.394 37.624 39.000 0.030 0.000 1.019 360 F HN 0.726 nan 8.300 nan 0.000 0.523 361 T N -1.834 112.913 114.554 0.322 0.000 2.870 361 T HA 0.214 4.564 4.350 -0.000 0.000 0.300 361 T C 0.666 175.507 174.700 0.235 0.000 0.989 361 T CA -0.531 61.737 62.100 0.280 0.000 1.139 361 T CB 1.317 70.382 68.868 0.328 0.000 0.920 361 T HN 0.242 nan 8.240 nan 0.000 0.537 362 S N 2.697 118.489 115.700 0.153 0.000 2.550 362 S HA 0.098 4.568 4.470 -0.000 0.000 0.285 362 S C -0.080 174.569 174.600 0.082 0.000 1.326 362 S CA -0.045 58.201 58.200 0.077 0.000 1.037 362 S CB -0.092 63.152 63.200 0.073 0.000 0.838 362 S HN 0.792 nan 8.310 nan 0.000 0.519 363 K N 2.079 122.470 120.400 -0.015 0.000 2.185 363 K HA 0.806 5.126 4.320 -0.000 0.000 0.240 363 K C -0.171 176.434 176.600 0.009 0.000 0.983 363 K CA -0.660 55.607 56.287 -0.034 0.000 0.873 363 K CB 1.423 33.799 32.500 -0.207 0.000 1.118 363 K HN 0.762 nan 8.250 nan 0.000 0.441 364 I N -2.651 117.936 120.570 0.029 0.000 3.195 364 I HA 0.433 4.603 4.170 -0.000 0.000 0.313 364 I C -1.416 174.727 176.117 0.044 0.000 1.237 364 I CA -1.347 59.977 61.300 0.039 0.000 0.963 364 I CB 1.356 39.401 38.000 0.075 0.000 1.278 364 I HN 0.310 nan 8.210 nan 0.000 0.460 365 L N 2.089 123.329 121.223 0.029 0.000 2.312 365 L HA 0.315 4.655 4.340 -0.000 0.000 0.281 365 L C 0.698 177.596 176.870 0.047 0.000 1.070 365 L CA -0.406 54.458 54.840 0.039 0.000 0.805 365 L CB 1.397 43.455 42.059 -0.001 0.000 1.174 365 L HN 0.706 nan 8.230 nan 0.000 0.434 366 F N 3.117 123.031 119.950 -0.060 0.000 2.091 366 F HA -0.304 4.223 4.527 -0.000 0.000 0.299 366 F C 2.531 178.226 175.800 -0.175 0.000 1.103 366 F CA 2.114 60.062 58.000 -0.086 0.000 1.228 366 F CB -0.074 38.913 39.000 -0.022 0.000 0.984 366 F HN 0.722 nan 8.300 nan 0.000 0.477 367 C N -0.176 118.976 119.300 -0.246 0.000 2.432 367 C HA -0.166 4.294 4.460 -0.000 0.000 0.277 367 C C 2.449 177.256 174.990 -0.306 0.000 1.249 367 C CA 0.944 59.679 59.018 -0.471 0.000 1.725 367 C CB -1.491 25.829 27.740 -0.700 0.000 2.028 367 C HN 0.440 nan 8.230 nan 0.000 0.477 368 D N 1.208 121.489 120.400 -0.199 0.000 2.158 368 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 368 D C 2.337 178.535 176.300 -0.171 0.000 0.995 368 D CA 1.435 55.353 54.000 -0.137 0.000 0.846 368 D CB -0.366 40.389 40.800 -0.075 0.000 0.941 368 D HN 0.458 nan 8.370 nan 0.000 0.456 369 V N 0.644 120.412 119.914 -0.243 0.000 2.453 369 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 369 V C 2.545 178.394 176.094 -0.410 0.000 1.048 369 V CA 0.887 62.968 62.300 -0.365 0.000 1.049 369 V CB -0.285 31.244 31.823 -0.488 0.000 0.672 369 V HN 0.235 nan 8.190 nan 0.000 0.457 370 L N -0.633 120.331 121.223 -0.431 0.000 2.046 370 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 370 L C 2.816 179.556 176.870 -0.216 0.000 1.077 370 L CA 1.596 56.213 54.840 -0.371 0.000 0.747 370 L CB -0.591 41.220 42.059 -0.413 0.000 0.896 370 L HN 0.276 nan 8.230 nan 0.000 0.432 371 R N -0.001 120.394 120.500 -0.175 0.000 2.080 371 R HA -0.183 4.157 4.340 -0.000 0.000 0.236 371 R C 2.443 178.716 176.300 -0.044 0.000 1.137 371 R CA 1.513 57.557 56.100 -0.092 0.000 0.943 371 R CB -0.632 29.624 30.300 -0.074 0.000 0.846 371 R HN 0.348 nan 8.270 nan 0.000 0.431 372 A N 1.542 124.335 122.820 -0.045 0.000 1.892 372 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 372 A C 2.208 179.834 177.584 0.069 0.000 1.188 372 A CA 1.562 53.627 52.037 0.047 0.000 0.631 372 A CB -0.688 18.300 19.000 -0.020 0.000 0.822 372 A HN 0.234 nan 8.150 nan 0.000 0.447 373 I N -1.141 119.383 120.570 -0.077 0.000 2.286 373 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 373 I C 2.742 178.822 176.117 -0.063 0.000 1.115 373 I CA 1.616 62.864 61.300 -0.087 0.000 1.392 373 I CB -0.453 37.438 38.000 -0.182 0.000 1.065 373 I HN 0.431 nan 8.210 nan 0.000 0.418 374 R N 1.207 121.674 120.500 -0.056 0.000 2.083 374 R HA -0.207 4.133 4.340 -0.000 0.000 0.237 374 R C 1.769 178.058 176.300 -0.019 0.000 1.137 374 R CA 2.203 58.282 56.100 -0.034 0.000 0.951 374 R CB -0.190 30.092 30.300 -0.031 0.000 0.851 374 R HN 0.320 nan 8.270 nan 0.000 0.434 375 D N -0.796 119.598 120.400 -0.011 0.000 2.178 375 D HA -0.149 4.491 4.640 -0.000 0.000 0.202 375 D C 1.217 177.373 176.300 -0.239 0.000 0.974 375 D CA 1.317 55.242 54.000 -0.125 0.000 0.841 375 D CB -0.091 40.620 40.800 -0.149 0.000 0.953 375 D HN 0.385 nan 8.370 nan 0.000 0.478 376 Y N 0.255 120.517 120.300 -0.063 0.000 2.444 376 Y HA 0.385 4.935 4.550 -0.000 0.000 0.249 376 Y C 2.147 177.961 175.900 -0.143 0.000 1.134 376 Y CA -0.130 57.931 58.100 -0.064 0.000 1.261 376 Y CB -0.044 38.391 38.460 -0.043 0.000 1.143 376 Y HN -0.131 nan 8.280 nan 0.000 0.523 377 A N 0.405 123.126 122.820 -0.164 0.000 1.985 377 A HA -0.250 4.070 4.320 -0.000 0.000 0.223 377 A C 1.176 178.327 177.584 -0.722 0.000 1.189 377 A CA 2.270 53.960 52.037 -0.579 0.000 0.658 377 A CB -1.024 17.378 19.000 -0.996 0.000 0.820 377 A HN 0.457 nan 8.150 nan 0.000 0.464 378 F N -1.538 118.437 119.950 0.042 0.000 2.683 378 F HA 0.290 4.817 4.527 -0.000 0.000 0.306 378 F C 1.451 177.265 175.800 0.024 0.000 1.102 378 F CA -0.028 57.987 58.000 0.024 0.000 1.244 378 F CB 0.108 39.099 39.000 -0.015 0.000 1.029 378 F HN 0.161 nan 8.300 nan 0.000 0.545 379 K N 1.593 122.073 120.400 0.133 0.000 2.063 379 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 379 K C 2.046 178.720 176.600 0.123 0.000 1.048 379 K CA 1.721 58.074 56.287 0.111 0.000 0.928 379 K CB -0.107 32.475 32.500 0.137 0.000 0.713 379 K HN 0.258 nan 8.250 nan 0.000 0.442 380 A N -0.133 122.767 122.820 0.133 0.000 2.147 380 A HA 0.117 4.437 4.320 -0.000 0.000 0.211 380 A C 0.674 178.352 177.584 0.156 0.000 1.160 380 A CA 0.564 52.679 52.037 0.130 0.000 0.781 380 A CB 0.145 19.218 19.000 0.121 0.000 0.842 380 A HN 0.327 nan 8.150 nan 0.000 0.475 381 S N -1.643 114.171 115.700 0.191 0.000 2.565 381 S HA 0.458 4.928 4.470 -0.000 0.000 0.274 381 S C -2.903 171.851 174.600 0.256 0.000 1.144 381 S CA -0.362 57.976 58.200 0.230 0.000 0.849 381 S CB 1.732 65.120 63.200 0.313 0.000 1.103 381 S HN -0.065 nan 8.310 nan 0.000 0.455 382 P HA 0.181 nan 4.420 nan 0.000 0.255 382 P C -0.223 176.898 177.300 -0.297 0.000 1.248 382 P CA 0.086 63.073 63.100 -0.188 0.000 0.807 382 P CB -0.170 31.270 31.700 -0.433 0.000 1.150 383 Y N 2.068 122.481 120.300 0.189 0.000 2.326 383 Y HA 0.253 4.803 4.550 -0.000 0.000 0.333 383 Y C -1.502 174.585 175.900 0.311 0.000 1.240 383 Y CA -2.629 55.537 58.100 0.109 0.000 1.365 383 Y CB -0.895 37.570 38.460 0.010 0.000 1.289 383 Y HN -0.093 nan 8.280 nan 0.000 0.548 384 P HA -0.042 nan 4.420 nan 0.000 0.265 384 P C -0.805 176.732 177.300 0.395 0.000 1.187 384 P CA 0.247 63.561 63.100 0.356 0.000 0.766 384 P CB 0.437 32.250 31.700 0.189 0.000 0.820 385 V N 5.375 125.446 119.914 0.261 0.000 2.435 385 V HA 0.363 4.483 4.120 -0.000 0.000 0.290 385 V C 0.476 176.641 176.094 0.117 0.000 1.030 385 V CA -0.519 61.848 62.300 0.112 0.000 0.881 385 V CB 1.295 33.071 31.823 -0.078 0.000 0.983 385 V HN 0.353 nan 8.190 nan 0.000 0.445 386 I N 5.729 126.360 120.570 0.102 0.000 2.378 386 I HA 0.420 4.590 4.170 -0.000 0.000 0.291 386 I C -0.548 175.614 176.117 0.075 0.000 0.992 386 I CA -0.430 60.934 61.300 0.108 0.000 1.154 386 I CB 1.541 39.619 38.000 0.131 0.000 1.315 386 I HN 0.293 nan 8.210 nan 0.000 0.448 387 L N 5.353 126.623 121.223 0.078 0.000 2.265 387 L HA 0.338 4.678 4.340 -0.000 0.000 0.289 387 L C 0.295 177.217 176.870 0.087 0.000 1.033 387 L CA -0.279 54.605 54.840 0.073 0.000 0.814 387 L CB 1.500 43.594 42.059 0.059 0.000 1.203 387 L HN 0.579 nan 8.230 nan 0.000 0.423 388 S N 5.733 121.486 115.700 0.089 0.000 2.404 388 S HA 0.486 4.956 4.470 -0.000 0.000 0.309 388 S C -0.333 174.314 174.600 0.078 0.000 1.076 388 S CA -0.693 57.556 58.200 0.081 0.000 1.095 388 S CB 0.016 63.264 63.200 0.080 0.000 0.972 388 S HN 0.452 nan 8.310 nan 0.000 0.484 389 L N 4.416 125.674 121.223 0.058 0.000 2.305 389 L HA 0.488 4.828 4.340 -0.000 0.000 0.281 389 L C 0.693 177.544 176.870 -0.032 0.000 1.085 389 L CA -0.247 54.615 54.840 0.036 0.000 0.813 389 L CB 0.946 43.020 42.059 0.025 0.000 1.157 389 L HN 0.652 nan 8.230 nan 0.000 0.436 390 E N 3.307 123.472 120.200 -0.058 0.000 2.256 390 E HA 0.115 4.465 4.350 -0.000 0.000 0.243 390 E C -0.896 175.491 176.600 -0.356 0.000 0.925 390 E CA -0.588 55.716 56.400 -0.160 0.000 0.748 390 E CB 0.797 30.480 29.700 -0.028 0.000 1.206 390 E HN 0.436 nan 8.360 nan 0.000 0.428 391 N N 2.133 120.572 118.700 -0.436 0.000 2.430 391 N HA 0.028 4.768 4.740 -0.000 0.000 0.265 391 N C -0.553 174.485 175.510 -0.787 0.000 1.100 391 N CA 0.279 53.031 53.050 -0.496 0.000 0.961 391 N CB 0.416 38.716 38.487 -0.312 0.000 1.075 391 N HN 0.489 nan 8.380 nan 0.000 0.478 392 H N 1.936 120.611 119.070 -0.658 0.000 2.575 392 H HA 0.241 4.797 4.556 -0.000 0.000 0.256 392 H C -0.361 174.703 175.328 -0.440 0.000 1.162 392 H CA -0.351 55.233 56.048 -0.773 0.000 0.969 392 H CB 0.073 28.640 29.762 -1.991 0.000 1.796 392 H HN 0.380 nan 8.280 nan 0.000 0.607 393 C N 2.614 121.771 119.300 -0.238 0.000 2.365 393 C HA 0.317 4.777 4.460 -0.000 0.000 0.351 393 C C 1.219 176.159 174.990 -0.083 0.000 1.240 393 C CA -0.455 58.485 59.018 -0.131 0.000 2.062 393 C CB 0.698 28.338 27.740 -0.166 0.000 2.387 393 C HN 0.651 nan 8.230 nan 0.000 0.537 394 S N 3.697 119.376 115.700 -0.035 0.000 2.573 394 S HA 0.109 4.579 4.470 -0.000 0.000 0.277 394 S C 1.109 175.683 174.600 -0.043 0.000 1.346 394 S CA -0.332 57.854 58.200 -0.023 0.000 1.034 394 S CB 0.270 63.469 63.200 -0.001 0.000 0.879 394 S HN 0.661 nan 8.310 nan 0.000 0.528 395 L N 0.358 121.559 121.223 -0.037 0.000 2.081 395 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 395 L C 2.922 179.766 176.870 -0.044 0.000 1.080 395 L CA 2.073 56.887 54.840 -0.043 0.000 0.754 395 L CB -0.805 41.235 42.059 -0.033 0.000 0.893 395 L HN 0.854 nan 8.230 nan 0.000 0.433 396 E N 0.543 120.722 120.200 -0.034 0.000 2.031 396 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 396 E C 2.148 178.719 176.600 -0.048 0.000 0.994 396 E CA 1.567 57.946 56.400 -0.036 0.000 0.800 396 E CB -0.187 29.499 29.700 -0.024 0.000 0.752 396 E HN 0.376 nan 8.360 nan 0.000 0.447 397 Q N -0.156 119.616 119.800 -0.047 0.000 2.181 397 Q HA -0.201 4.139 4.340 -0.000 0.000 0.205 397 Q C 2.289 178.228 176.000 -0.102 0.000 0.980 397 Q CA 1.583 57.349 55.803 -0.062 0.000 0.862 397 Q CB -0.172 28.539 28.738 -0.046 0.000 0.905 397 Q HN 0.542 nan 8.270 nan 0.000 0.429 398 Q N 0.194 119.933 119.800 -0.103 0.000 2.124 398 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 398 Q C 2.062 178.007 176.000 -0.092 0.000 0.977 398 Q CA 0.935 56.666 55.803 -0.120 0.000 0.850 398 Q CB -0.091 28.585 28.738 -0.103 0.000 0.901 398 Q HN 0.336 nan 8.270 nan 0.000 0.429 399 R N 0.055 120.510 120.500 -0.075 0.000 2.075 399 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 399 R C 2.398 178.648 176.300 -0.082 0.000 1.126 399 R CA 1.255 57.316 56.100 -0.065 0.000 0.963 399 R CB -0.486 29.780 30.300 -0.056 0.000 0.858 399 R HN 0.078 nan 8.270 nan 0.000 0.435 400 V N 1.755 121.608 119.914 -0.101 0.000 2.282 400 V HA -0.330 3.790 4.120 -0.000 0.000 0.249 400 V C 2.442 178.453 176.094 -0.138 0.000 1.057 400 V CA 1.969 64.171 62.300 -0.164 0.000 1.032 400 V CB -0.466 31.285 31.823 -0.121 0.000 0.645 400 V HN 0.327 nan 8.190 nan 0.000 0.447 401 M N -0.221 119.347 119.600 -0.052 0.000 2.073 401 M HA -0.242 4.238 4.480 -0.000 0.000 0.258 401 M C 2.418 178.819 176.300 0.168 0.000 1.070 401 M CA 2.398 57.739 55.300 0.068 0.000 1.103 401 M CB -0.693 31.762 32.600 -0.241 0.000 1.321 401 M HN 0.426 nan 8.290 nan 0.000 0.405 402 A N 0.596 123.439 122.820 0.039 0.000 1.948 402 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 402 A C 2.127 179.738 177.584 0.045 0.000 1.177 402 A CA 1.727 53.790 52.037 0.043 0.000 0.636 402 A CB -0.665 18.335 19.000 -0.000 0.000 0.815 402 A HN 0.491 nan 8.150 nan 0.000 0.449 403 R N -1.555 118.940 120.500 -0.009 0.000 2.061 403 R HA -0.110 4.230 4.340 -0.000 0.000 0.230 403 R C 2.124 178.449 176.300 0.042 0.000 1.140 403 R CA 1.375 57.454 56.100 -0.035 0.000 0.940 403 R CB -0.883 29.331 30.300 -0.143 0.000 0.839 403 R HN 0.579 nan 8.270 nan 0.000 0.429 404 H N 1.297 120.417 119.070 0.083 0.000 2.357 404 H HA -0.130 4.426 4.556 -0.000 0.000 0.296 404 H C 2.283 177.640 175.328 0.048 0.000 1.108 404 H CA 1.420 57.517 56.048 0.081 0.000 1.273 404 H CB -0.450 29.413 29.762 0.168 0.000 1.367 404 H HN 0.136 nan 8.280 nan 0.000 0.498 405 L N 0.059 121.415 121.223 0.222 0.000 1.970 405 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 405 L C 2.890 179.803 176.870 0.072 0.000 1.071 405 L CA 1.562 56.473 54.840 0.118 0.000 0.751 405 L CB -0.308 41.831 42.059 0.134 0.000 0.889 405 L HN 0.190 nan 8.230 nan 0.000 0.432 406 R N -0.527 120.013 120.500 0.067 0.000 2.075 406 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 406 R C 2.383 178.709 176.300 0.044 0.000 1.126 406 R CA 1.259 57.385 56.100 0.045 0.000 0.963 406 R CB -0.506 29.814 30.300 0.032 0.000 0.858 406 R HN 0.381 nan 8.270 nan 0.000 0.435 407 A N 1.006 123.860 122.820 0.058 0.000 1.940 407 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 407 A C 2.066 179.678 177.584 0.046 0.000 1.176 407 A CA 1.401 53.472 52.037 0.056 0.000 0.631 407 A CB -0.394 18.655 19.000 0.083 0.000 0.814 407 A HN 0.206 nan 8.150 nan 0.000 0.446 408 I N -1.091 119.506 120.570 0.045 0.000 2.499 408 I HA -0.061 4.109 4.170 -0.000 0.000 0.243 408 I C 2.180 178.299 176.117 0.004 0.000 1.085 408 I CA 0.540 61.845 61.300 0.009 0.000 1.422 408 I CB -0.391 37.592 38.000 -0.030 0.000 1.165 408 I HN 0.183 nan 8.210 nan 0.000 0.440 409 L N 0.832 122.060 121.223 0.007 0.000 2.201 409 L HA -0.010 4.330 4.340 -0.000 0.000 0.212 409 L C 1.952 178.841 176.870 0.032 0.000 1.105 409 L CA 0.890 55.740 54.840 0.018 0.000 0.775 409 L CB -1.342 40.730 42.059 0.022 0.000 0.913 409 L HN 0.540 nan 8.230 nan 0.000 0.440 410 G N 1.361 110.178 108.800 0.029 0.000 2.690 410 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.334 410 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.334 410 G C -1.137 173.780 174.900 0.028 0.000 1.250 410 G CA 0.613 45.729 45.100 0.026 0.000 0.994 410 G HN 0.308 nan 8.290 nan 0.000 0.549 411 P HA 0.164 nan 4.420 nan 0.000 0.236 411 P C 1.991 179.309 177.300 0.030 0.000 1.177 411 P CA 1.112 64.224 63.100 0.020 0.000 0.773 411 P CB -0.014 31.689 31.700 0.006 0.000 0.878 412 I N -0.637 119.964 120.570 0.052 0.000 2.353 412 I HA -0.121 4.049 4.170 -0.000 0.000 0.248 412 I C 1.320 177.498 176.117 0.101 0.000 1.119 412 I CA 0.098 61.453 61.300 0.092 0.000 1.417 412 I CB -0.441 37.656 38.000 0.163 0.000 1.078 412 I HN -0.046 nan 8.210 nan 0.000 0.421 413 L N 2.152 123.422 121.223 0.079 0.000 2.513 413 L HA 0.078 4.418 4.340 -0.000 0.000 0.272 413 L C -0.284 176.628 176.870 0.071 0.000 1.187 413 L CA 0.314 55.199 54.840 0.074 0.000 0.895 413 L CB 0.342 42.435 42.059 0.056 0.000 1.147 413 L HN 0.050 nan 8.230 nan 0.000 0.483 414 L N 5.807 127.082 121.223 0.088 0.000 2.268 414 L HA 0.379 4.719 4.340 -0.000 0.000 0.289 414 L C 0.016 176.927 176.870 0.067 0.000 1.064 414 L CA 0.185 55.080 54.840 0.090 0.000 0.824 414 L CB 0.247 42.389 42.059 0.138 0.000 1.202 414 L HN 0.833 nan 8.230 nan 0.000 0.433 415 D N 2.572 122.997 120.400 0.042 0.000 2.501 415 D HA 0.152 4.792 4.640 -0.000 0.000 0.224 415 D C -0.395 175.901 176.300 -0.007 0.000 1.202 415 D CA -0.088 53.922 54.000 0.017 0.000 0.829 415 D CB 0.376 41.184 40.800 0.015 0.000 1.023 415 D HN 0.376 nan 8.370 nan 0.000 0.499 416 Q N 0.684 120.483 119.800 -0.001 0.000 2.327 416 Q HA 0.320 4.660 4.340 -0.000 0.000 0.265 416 Q C -2.881 173.113 176.000 -0.010 0.000 0.993 416 Q CA -1.365 54.424 55.803 -0.023 0.000 0.885 416 Q CB 2.537 31.271 28.738 -0.006 0.000 1.379 416 Q HN -0.003 nan 8.270 nan 0.000 0.408 417 P HA 0.014 nan 4.420 nan 0.000 0.267 417 P C -0.171 177.197 177.300 0.113 0.000 1.201 417 P CA 0.056 63.129 63.100 -0.044 0.000 0.775 417 P CB 0.583 32.222 31.700 -0.102 0.000 0.854 418 L N 2.005 123.391 121.223 0.271 0.000 2.417 418 L HA 0.118 4.458 4.340 -0.000 0.000 0.268 418 L C 1.018 177.959 176.870 0.118 0.000 1.158 418 L CA -0.338 54.606 54.840 0.174 0.000 0.819 418 L CB 0.234 42.390 42.059 0.161 0.000 1.112 418 L HN 0.443 nan 8.230 nan 0.000 0.458 419 D N 1.570 122.010 120.400 0.067 0.000 2.472 419 D HA 0.303 4.943 4.640 -0.000 0.000 0.237 419 D C 0.706 177.034 176.300 0.048 0.000 1.141 419 D CA 1.263 55.291 54.000 0.047 0.000 0.875 419 D CB 1.049 41.866 40.800 0.028 0.000 1.192 419 D HN 0.730 nan 8.370 nan 0.000 0.450 420 G N 1.881 110.708 108.800 0.045 0.000 2.550 420 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.277 420 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.277 420 G C 0.207 175.142 174.900 0.059 0.000 1.190 420 G CA 0.299 45.422 45.100 0.038 0.000 0.971 420 G HN 1.526 nan 8.290 nan 0.000 0.559 421 V N -0.146 119.784 119.914 0.027 0.000 5.915 421 V HA -0.245 3.875 4.120 -0.000 0.000 0.250 421 V C 1.840 177.976 176.094 0.069 0.000 0.647 421 V CA 2.941 65.249 62.300 0.014 0.000 0.573 421 V CB -2.385 29.494 31.823 0.094 0.000 0.266 421 V HN 2.266 nan 8.190 nan 0.000 0.580 422 T N -3.033 111.535 114.554 0.024 0.000 3.046 422 T HA 0.010 4.360 4.350 -0.000 0.000 0.242 422 T C 1.428 176.211 174.700 0.138 0.000 1.018 422 T CA 0.930 63.099 62.100 0.115 0.000 1.131 422 T CB 0.484 69.410 68.868 0.097 0.000 0.904 422 T HN 0.908 nan 8.240 nan 0.000 0.459 423 T N -1.531 112.997 114.554 -0.043 0.000 3.023 423 T HA 0.477 4.827 4.350 -0.000 0.000 0.253 423 T C 0.593 175.074 174.700 -0.366 0.000 1.038 423 T CA -0.326 61.772 62.100 -0.004 0.000 0.962 423 T CB 0.235 69.134 68.868 0.052 0.000 1.018 423 T HN 0.260 nan 8.240 nan 0.000 0.521 424 S N -0.181 115.068 115.700 -0.751 0.000 2.618 424 S HA 0.666 5.136 4.470 -0.000 0.000 0.277 424 S C -0.790 173.287 174.600 -0.872 0.000 1.138 424 S CA -0.862 56.878 58.200 -0.767 0.000 0.844 424 S CB 1.396 64.419 63.200 -0.295 0.000 1.127 424 S HN 0.365 nan 8.310 nan 0.000 0.474 425 L N 3.438 124.371 121.223 -0.482 0.000 2.467 425 L HA 0.275 4.615 4.340 -0.000 0.000 0.270 425 L C -1.784 174.883 176.870 -0.339 0.000 1.205 425 L CA -1.308 53.366 54.840 -0.276 0.000 0.828 425 L CB 0.238 42.295 42.059 -0.004 0.000 1.101 425 L HN 0.450 nan 8.230 nan 0.000 0.479 426 P HA 0.083 nan 4.420 nan 0.000 0.274 426 P C -0.929 176.237 177.300 -0.223 0.000 1.260 426 P CA -0.513 62.393 63.100 -0.325 0.000 0.793 426 P CB 0.618 32.087 31.700 -0.386 0.000 1.048 427 S N -1.325 114.268 115.700 -0.179 0.000 2.713 427 S HA 0.403 4.872 4.470 -0.000 0.000 0.283 427 S C -1.935 172.512 174.600 -0.254 0.000 1.161 427 S CA -1.381 56.715 58.200 -0.174 0.000 0.999 427 S CB 0.513 63.639 63.200 -0.122 0.000 1.039 427 S HN 0.178 nan 8.310 nan 0.000 0.548 428 P HA -0.107 nan 4.420 nan 0.000 0.216 428 P C 1.437 178.670 177.300 -0.113 0.000 1.150 428 P CA 1.128 63.908 63.100 -0.534 0.000 0.837 428 P CB 0.066 31.092 31.700 -1.124 0.000 0.786 429 E N 0.070 120.226 120.200 -0.072 0.000 2.012 429 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 429 E C 2.041 178.604 176.600 -0.060 0.000 1.007 429 E CA 1.380 57.786 56.400 0.011 0.000 0.816 429 E CB -0.863 28.831 29.700 -0.009 0.000 0.762 429 E HN 0.426 nan 8.360 nan 0.000 0.451 430 Q N -0.084 119.668 119.800 -0.080 0.000 2.308 430 Q HA -0.117 4.223 4.340 -0.000 0.000 0.209 430 Q C 1.790 177.746 176.000 -0.074 0.000 0.985 430 Q CA 0.747 56.504 55.803 -0.076 0.000 0.881 430 Q CB -0.101 28.585 28.738 -0.086 0.000 0.917 430 Q HN 0.228 nan 8.270 nan 0.000 0.443 431 L N 0.068 121.240 121.223 -0.084 0.000 2.769 431 L HA 0.151 4.491 4.340 -0.000 0.000 0.240 431 L C 0.172 177.005 176.870 -0.061 0.000 1.163 431 L CA -0.314 54.493 54.840 -0.055 0.000 0.962 431 L CB 0.323 42.351 42.059 -0.053 0.000 1.258 431 L HN -0.029 nan 8.230 nan 0.000 0.513 432 K N 0.791 121.118 120.400 -0.122 0.000 2.561 432 K HA -0.009 4.311 4.320 -0.000 0.000 0.280 432 K C 1.266 177.687 176.600 -0.298 0.000 0.975 432 K CA 0.995 57.137 56.287 -0.242 0.000 1.024 432 K CB 0.270 32.582 32.500 -0.312 0.000 0.883 432 K HN 0.302 nan 8.250 nan 0.000 0.496 433 G N 1.984 110.458 108.800 -0.543 0.000 2.200 433 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.267 433 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.267 433 G C -0.044 174.597 174.900 -0.432 0.000 0.993 433 G CA 0.680 45.165 45.100 -1.024 0.000 0.701 433 G HN 0.406 nan 8.290 nan 0.000 0.524 434 K N -0.407 119.982 120.400 -0.018 0.000 2.166 434 K HA 0.744 5.064 4.320 -0.000 0.000 0.245 434 K C 0.230 177.029 176.600 0.333 0.000 0.967 434 K CA -0.981 55.399 56.287 0.156 0.000 0.863 434 K CB 1.599 34.154 32.500 0.092 0.000 1.107 434 K HN 0.179 nan 8.250 nan 0.000 0.436 435 I N 3.633 124.351 120.570 0.246 0.000 2.410 435 I HA 0.262 4.432 4.170 -0.000 0.000 0.286 435 I C -0.215 175.989 176.117 0.145 0.000 1.009 435 I CA -0.665 60.746 61.300 0.184 0.000 1.111 435 I CB 1.007 39.081 38.000 0.122 0.000 1.262 435 I HN 0.176 nan 8.210 nan 0.000 0.443 436 L N 6.019 127.334 121.223 0.154 0.000 2.375 436 L HA 0.582 4.922 4.340 -0.000 0.000 0.268 436 L C -0.327 176.620 176.870 0.129 0.000 1.058 436 L CA -0.904 54.032 54.840 0.159 0.000 0.803 436 L CB 1.188 43.371 42.059 0.206 0.000 1.212 436 L HN 0.397 nan 8.230 nan 0.000 0.451 437 L N 1.883 123.179 121.223 0.120 0.000 2.331 437 L HA 0.528 4.868 4.340 -0.000 0.000 0.275 437 L C -0.183 176.749 176.870 0.105 0.000 1.022 437 L CA -0.536 54.363 54.840 0.098 0.000 0.812 437 L CB 1.929 44.034 42.059 0.077 0.000 1.257 437 L HN 0.610 nan 8.230 nan 0.000 0.435 438 K N 1.628 122.083 120.400 0.092 0.000 2.427 438 K HA 0.764 5.084 4.320 -0.000 0.000 0.252 438 K C -0.820 175.813 176.600 0.054 0.000 0.931 438 K CA -0.319 56.022 56.287 0.090 0.000 0.793 438 K CB 2.468 35.032 32.500 0.106 0.000 1.211 438 K HN 0.810 nan 8.250 nan 0.000 0.426 439 G N 2.315 111.136 108.800 0.035 0.000 2.325 439 G HA2 0.143 4.103 3.960 -0.000 0.000 0.295 439 G HA3 0.143 4.103 3.960 -0.000 0.000 0.295 439 G C -1.679 173.207 174.900 -0.023 0.000 1.274 439 G CA -0.908 44.187 45.100 -0.008 0.000 0.857 439 G HN 0.441 nan 8.290 nan 0.000 0.499 440 K N 0.550 120.915 120.400 -0.058 0.000 2.249 440 K HA 0.426 4.746 4.320 -0.000 0.000 0.280 440 K C -0.411 176.160 176.600 -0.048 0.000 1.033 440 K CA -0.230 56.017 56.287 -0.067 0.000 0.946 440 K CB 1.825 34.267 32.500 -0.097 0.000 1.005 440 K HN 0.419 nan 8.250 nan 0.000 0.469 441 K N 3.471 123.849 120.400 -0.036 0.000 2.270 441 K HA 0.305 4.625 4.320 -0.000 0.000 0.255 441 K C -0.049 176.533 176.600 -0.031 0.000 0.936 441 K CA -0.628 55.641 56.287 -0.030 0.000 0.809 441 K CB 1.090 33.579 32.500 -0.018 0.000 1.131 441 K HN 0.452 nan 8.250 nan 0.000 0.427 488 L N 2.377 123.571 121.223 -0.047 0.000 2.372 488 L HA 0.539 4.879 4.340 -0.000 0.000 0.273 488 L C -0.749 176.093 176.870 -0.047 0.000 0.989 488 L CA -1.019 53.787 54.840 -0.056 0.000 0.841 488 L CB 1.376 43.401 42.059 -0.057 0.000 1.225 488 L HN 0.009 nan 8.230 nan 0.000 0.414 489 V N 4.659 124.544 119.914 -0.050 0.000 2.715 489 V HA 0.368 4.487 4.120 -0.000 0.000 0.299 489 V C -1.617 174.454 176.094 -0.039 0.000 1.054 489 V CA -1.015 61.260 62.300 -0.042 0.000 1.077 489 V CB 0.313 32.109 31.823 -0.044 0.000 0.972 489 V HN 0.720 nan 8.190 nan 0.000 0.484 490 P HA -0.098 nan 4.420 nan 0.000 0.216 490 P C 1.382 178.664 177.300 -0.030 0.000 1.150 490 P CA 1.118 64.200 63.100 -0.031 0.000 0.837 490 P CB 0.335 32.019 31.700 -0.028 0.000 0.786 491 E N -0.268 119.915 120.200 -0.028 0.000 2.065 491 E HA -0.190 4.160 4.350 -0.000 0.000 0.201 491 E C 2.104 178.692 176.600 -0.019 0.000 1.016 491 E CA 1.210 57.596 56.400 -0.023 0.000 0.818 491 E CB -1.153 28.532 29.700 -0.026 0.000 0.749 491 E HN 0.205 nan 8.360 nan 0.000 0.453 492 L N -0.306 120.902 121.223 -0.025 0.000 1.993 492 L HA -0.168 4.172 4.340 -0.000 0.000 0.206 492 L C 2.507 179.364 176.870 -0.022 0.000 1.074 492 L CA 1.383 56.210 54.840 -0.021 0.000 0.746 492 L CB -0.545 41.490 42.059 -0.040 0.000 0.896 492 L HN 0.151 nan 8.230 nan 0.000 0.435 493 S N -0.318 115.362 115.700 -0.033 0.000 2.392 493 S HA -0.274 4.196 4.470 -0.000 0.000 0.232 493 S C 1.633 176.212 174.600 -0.035 0.000 1.041 493 S CA 2.016 60.195 58.200 -0.034 0.000 1.026 493 S CB -0.422 62.755 63.200 -0.038 0.000 0.845 493 S HN 0.416 nan 8.310 nan 0.000 0.465 494 D N 0.553 120.933 120.400 -0.033 0.000 2.263 494 D HA -0.023 4.617 4.640 -0.000 0.000 0.208 494 D C 1.714 177.992 176.300 -0.037 0.000 0.971 494 D CA 0.893 54.870 54.000 -0.039 0.000 0.867 494 D CB -0.252 40.529 40.800 -0.032 0.000 0.929 494 D HN 0.525 nan 8.370 nan 0.000 0.492 495 M N -0.201 119.387 119.600 -0.020 0.000 2.492 495 M HA -0.002 4.478 4.480 -0.000 0.000 0.262 495 M C 0.081 176.378 176.300 -0.004 0.000 1.090 495 M CA 0.183 55.479 55.300 -0.006 0.000 1.110 495 M CB 0.428 33.037 32.600 0.015 0.000 1.407 495 M HN -0.162 nan 8.290 nan 0.000 0.470 496 I N 1.032 121.594 120.570 -0.014 0.000 2.363 496 I HA -0.014 4.156 4.170 -0.000 0.000 0.292 496 I C 0.725 176.809 176.117 -0.054 0.000 1.075 496 I CA 0.220 61.517 61.300 -0.005 0.000 1.333 496 I CB 0.401 38.401 38.000 0.000 0.000 1.415 496 I HN 0.107 nan 8.210 nan 0.000 0.502 497 I N 5.344 125.872 120.570 -0.070 0.000 3.132 497 I HA 0.002 4.172 4.170 -0.000 0.000 0.255 497 I C 1.219 177.158 176.117 -0.297 0.000 1.118 497 I CA 1.051 62.197 61.300 -0.256 0.000 1.463 497 I CB -0.959 36.820 38.000 -0.369 0.000 1.356 497 I HN 0.441 nan 8.210 nan 0.000 0.463 498 Y N 0.374 120.752 120.300 0.130 0.000 2.467 498 Y HA 0.230 4.779 4.550 -0.000 0.000 0.250 498 Y C 0.718 176.768 175.900 0.250 0.000 1.155 498 Y CA -0.398 57.843 58.100 0.236 0.000 1.249 498 Y CB 0.213 38.829 38.460 0.261 0.000 1.146 498 Y HN 0.089 nan 8.280 nan 0.000 0.524 499 C N 1.483 120.957 119.300 0.291 0.000 3.335 499 C HA 0.260 4.720 4.460 -0.000 0.000 0.217 499 C C 0.134 175.220 174.990 0.159 0.000 1.330 499 C CA -1.502 57.655 59.018 0.233 0.000 1.470 499 C CB -0.879 26.984 27.740 0.204 0.000 1.806 499 C HN 0.163 nan 8.230 nan 0.000 0.468 500 K N 1.885 122.386 120.400 0.168 0.000 2.310 500 K HA 0.218 4.538 4.320 -0.000 0.000 0.290 500 K C 0.380 177.019 176.600 0.065 0.000 1.077 500 K CA 0.323 56.672 56.287 0.103 0.000 0.922 500 K CB 0.591 33.170 32.500 0.132 0.000 1.057 500 K HN 0.553 nan 8.250 nan 0.000 0.479 501 S N 3.823 119.537 115.700 0.023 0.000 2.515 501 S HA 0.142 4.612 4.470 -0.000 0.000 0.285 501 S C -0.230 174.320 174.600 -0.084 0.000 1.265 501 S CA -0.628 57.561 58.200 -0.017 0.000 1.079 501 S CB -0.035 63.139 63.200 -0.043 0.000 0.877 501 S HN 0.447 nan 8.310 nan 0.000 0.493 502 V N 4.107 123.970 119.914 -0.085 0.000 3.040 502 V HA 0.634 4.754 4.120 -0.000 0.000 0.312 502 V C -0.854 175.157 176.094 -0.139 0.000 1.115 502 V CA -1.026 61.200 62.300 -0.122 0.000 0.998 502 V CB 1.684 33.491 31.823 -0.027 0.000 1.042 502 V HN 0.871 nan 8.190 nan 0.000 0.433 503 H N 2.300 121.363 119.070 -0.012 0.000 2.548 503 H HA 0.383 4.939 4.556 -0.000 0.000 0.331 503 H C -0.454 174.868 175.328 -0.010 0.000 1.093 503 H CA -0.490 55.545 56.048 -0.021 0.000 1.367 503 H CB 1.353 31.098 29.762 -0.028 0.000 1.455 503 H HN 0.782 nan 8.280 nan 0.000 0.519 504 F N 2.819 122.731 119.950 -0.063 0.000 2.590 504 F HA 0.103 4.630 4.527 -0.000 0.000 0.389 504 F C 1.103 176.848 175.800 -0.091 0.000 1.049 504 F CA 0.009 57.938 58.000 -0.119 0.000 1.199 504 F CB 0.368 39.250 39.000 -0.196 0.000 1.058 504 F HN 0.604 nan 8.300 nan 0.000 0.556 505 G N 3.624 111.971 108.800 -0.755 0.000 2.624 505 G HA2 0.435 4.395 3.960 -0.000 0.000 0.216 505 G HA3 0.435 4.395 3.960 -0.000 0.000 0.216 505 G C 0.402 174.462 174.900 -1.400 0.000 1.274 505 G CA 0.502 45.139 45.100 -0.773 0.000 0.856 505 G HN 1.217 nan 8.290 nan 0.000 0.555 506 G N -1.967 105.831 108.800 -1.670 0.000 2.430 506 G HA2 0.430 4.390 3.960 -0.000 0.000 0.300 506 G HA3 0.430 4.390 3.960 -0.000 0.000 0.300 506 G C -1.749 172.697 174.900 -0.757 0.000 1.330 506 G CA -0.992 43.282 45.100 -1.375 0.000 0.813 506 G HN 0.130 nan 8.290 nan 0.000 0.487 507 F N 1.736 121.656 119.950 -0.050 0.000 2.404 507 F HA 0.458 4.985 4.527 -0.000 0.000 0.358 507 F C 1.919 177.675 175.800 -0.072 0.000 1.120 507 F CA -0.015 57.953 58.000 -0.053 0.000 1.144 507 F CB 1.670 40.699 39.000 0.049 0.000 1.133 507 F HN 0.544 nan 8.300 nan 0.000 0.495 508 S N 2.195 117.937 115.700 0.070 0.000 2.414 508 S HA -0.360 4.110 4.470 -0.000 0.000 0.241 508 S C 2.525 177.157 174.600 0.054 0.000 1.079 508 S CA 2.226 60.447 58.200 0.034 0.000 1.087 508 S CB -0.683 62.540 63.200 0.038 0.000 0.927 508 S HN 0.843 nan 8.310 nan 0.000 0.456 509 S N 2.656 118.410 115.700 0.089 0.000 2.615 509 S HA -0.202 4.268 4.470 -0.000 0.000 0.330 509 S C -0.869 173.759 174.600 0.048 0.000 1.300 509 S CA 2.042 60.286 58.200 0.073 0.000 1.166 509 S CB -2.112 61.139 63.200 0.085 0.000 1.246 509 S HN 0.734 nan 8.310 nan 0.000 0.442 510 P HA 0.304 nan 4.420 nan 0.000 0.263 510 P C 0.488 177.796 177.300 0.013 0.000 1.386 510 P CA 0.959 64.072 63.100 0.022 0.000 0.797 510 P CB -0.517 31.191 31.700 0.013 0.000 1.381 511 G N -0.476 108.336 108.800 0.019 0.000 2.510 511 G HA2 0.302 4.262 3.960 -0.000 0.000 0.277 511 G HA3 0.302 4.262 3.960 -0.000 0.000 0.277 511 G C 0.392 175.307 174.900 0.026 0.000 1.223 511 G CA 0.347 45.456 45.100 0.015 0.000 0.887 511 G HN 0.055 nan 8.290 nan 0.000 0.485 512 T N -2.692 111.877 114.554 0.025 0.000 3.111 512 T HA 0.407 4.757 4.350 -0.000 0.000 0.236 512 T C 1.531 176.257 174.700 0.044 0.000 0.984 512 T CA 1.593 63.716 62.100 0.038 0.000 1.195 512 T CB -0.292 68.598 68.868 0.037 0.000 0.929 512 T HN 1.456 nan 8.240 nan 0.000 0.431 513 S N -0.586 115.131 115.700 0.029 0.000 2.801 513 S HA 0.834 5.304 4.470 -0.000 0.000 0.312 513 S C 0.695 175.291 174.600 -0.006 0.000 1.112 513 S CA 0.057 58.273 58.200 0.026 0.000 0.943 513 S CB 1.451 64.665 63.200 0.023 0.000 1.269 513 S HN 0.839 nan 8.310 nan 0.000 0.558 514 G N -0.464 108.321 108.800 -0.026 0.000 4.262 514 G HA2 0.235 4.195 3.960 -0.000 0.000 0.140 514 G HA3 0.235 4.195 3.960 -0.000 0.000 0.140 514 G C -0.991 173.863 174.900 -0.077 0.000 1.200 514 G CA -0.297 44.756 45.100 -0.077 0.000 1.048 514 G HN 0.696 nan 8.290 nan 0.000 0.358 515 Q N 0.613 120.389 119.800 -0.040 0.000 2.309 515 Q HA 0.705 5.045 4.340 -0.000 0.000 0.264 515 Q C -0.272 175.665 176.000 -0.105 0.000 1.008 515 Q CA -0.609 55.167 55.803 -0.044 0.000 0.853 515 Q CB 2.555 31.341 28.738 0.079 0.000 1.314 515 Q HN 0.575 nan 8.270 nan 0.000 0.448 516 A N 1.419 124.026 122.820 -0.355 0.000 2.425 516 A HA 0.173 4.493 4.320 -0.000 0.000 0.242 516 A C 0.566 177.831 177.584 -0.532 0.000 1.077 516 A CA -0.201 51.421 52.037 -0.691 0.000 0.781 516 A CB -0.124 17.821 19.000 -1.758 0.000 1.020 516 A HN 0.875 nan 8.150 nan 0.000 0.494 517 F N 0.201 120.056 119.950 -0.159 0.000 2.236 517 F HA -0.219 4.308 4.527 -0.000 0.000 0.302 517 F C 1.217 177.085 175.800 0.114 0.000 1.073 517 F CA 1.397 59.431 58.000 0.058 0.000 1.336 517 F CB -1.220 37.878 39.000 0.164 0.000 1.040 517 F HN 0.588 nan 8.300 nan 0.000 0.507 518 Y N -0.063 120.079 120.300 -0.263 0.000 2.583 518 Y HA 0.529 5.079 4.550 -0.000 0.000 0.294 518 Y C -0.476 175.440 175.900 0.027 0.000 1.170 518 Y CA -1.535 56.573 58.100 0.015 0.000 1.265 518 Y CB -1.332 37.017 38.460 -0.185 0.000 1.119 518 Y HN 0.143 nan 8.280 nan 0.000 0.522 519 E N 2.219 122.319 120.200 -0.165 0.000 2.171 519 E HA 0.441 4.791 4.350 -0.000 0.000 0.271 519 E C -1.244 175.428 176.600 0.121 0.000 0.916 519 E CA -0.889 55.496 56.400 -0.025 0.000 0.774 519 E CB 2.310 31.919 29.700 -0.150 0.000 1.128 519 E HN 0.373 nan 8.360 nan 0.000 0.403 520 M N 2.647 122.337 119.600 0.150 0.000 2.151 520 M HA 0.551 5.031 4.480 -0.000 0.000 0.290 520 M C -1.616 174.788 176.300 0.174 0.000 0.965 520 M CA -0.437 54.983 55.300 0.199 0.000 0.930 520 M CB 1.301 34.022 32.600 0.203 0.000 1.560 520 M HN 0.643 nan 8.290 nan 0.000 0.438 521 A N 3.270 126.228 122.820 0.231 0.000 2.282 521 A HA 0.860 5.180 4.320 -0.000 0.000 0.319 521 A C -0.653 176.952 177.584 0.035 0.000 1.121 521 A CA -0.553 51.535 52.037 0.084 0.000 0.836 521 A CB 1.030 20.079 19.000 0.082 0.000 1.146 521 A HN 0.810 nan 8.150 nan 0.000 0.494 522 S N -0.349 115.266 115.700 -0.142 0.000 2.532 522 S HA 0.810 5.280 4.470 -0.000 0.000 0.301 522 S C -1.265 173.164 174.600 -0.285 0.000 1.083 522 S CA -0.174 58.052 58.200 0.043 0.000 1.025 522 S CB 0.779 64.137 63.200 0.262 0.000 1.056 522 S HN 0.442 nan 8.310 nan 0.000 0.494 523 F N 1.103 121.105 119.950 0.086 0.000 2.569 523 F HA 0.463 4.990 4.527 -0.000 0.000 0.312 523 F C 0.781 176.234 175.800 -0.578 0.000 1.109 523 F CA -0.871 57.059 58.000 -0.117 0.000 0.919 523 F CB 1.603 40.584 39.000 -0.031 0.000 1.211 523 F HN 0.607 nan 8.300 nan 0.000 0.446 524 S N 0.421 115.834 115.700 -0.477 0.000 2.608 524 S HA 0.095 4.565 4.470 -0.000 0.000 0.261 524 S C 1.257 175.574 174.600 -0.471 0.000 1.314 524 S CA -0.025 57.675 58.200 -0.833 0.000 0.992 524 S CB 0.962 63.942 63.200 -0.367 0.000 0.935 524 S HN 0.893 nan 8.310 nan 0.000 0.564 525 E N 0.888 120.761 120.200 -0.546 0.000 2.118 525 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 525 E C 1.655 178.084 176.600 -0.285 0.000 0.992 525 E CA 1.678 57.734 56.400 -0.574 0.000 0.804 525 E CB -0.432 28.820 29.700 -0.746 0.000 0.741 525 E HN 0.738 nan 8.360 nan 0.000 0.458 526 S N 0.907 116.508 115.700 -0.166 0.000 2.335 526 S HA -0.138 4.332 4.470 -0.000 0.000 0.217 526 S C 2.045 176.625 174.600 -0.032 0.000 1.032 526 S CA 0.985 59.153 58.200 -0.054 0.000 0.985 526 S CB -0.510 62.693 63.200 0.004 0.000 0.896 526 S HN 0.253 nan 8.310 nan 0.000 0.445 527 R N 1.586 122.076 120.500 -0.016 0.000 2.105 527 R HA -0.106 4.234 4.340 -0.000 0.000 0.239 527 R C 2.418 178.745 176.300 0.045 0.000 1.135 527 R CA 1.320 57.445 56.100 0.041 0.000 0.967 527 R CB -0.612 29.749 30.300 0.101 0.000 0.861 527 R HN 0.457 nan 8.270 nan 0.000 0.442 528 A N 1.032 123.861 122.820 0.015 0.000 1.877 528 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 528 A C 2.192 179.794 177.584 0.030 0.000 1.186 528 A CA 1.222 53.270 52.037 0.019 0.000 0.620 528 A CB -0.562 18.386 19.000 -0.088 0.000 0.822 528 A HN 0.330 nan 8.150 nan 0.000 0.443 529 L N -1.147 120.057 121.223 -0.032 0.000 2.079 529 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 529 L C 2.771 179.649 176.870 0.014 0.000 1.081 529 L CA 1.861 56.688 54.840 -0.021 0.000 0.752 529 L CB -0.521 41.516 42.059 -0.037 0.000 0.896 529 L HN 0.491 nan 8.230 nan 0.000 0.433 530 R N 0.854 121.365 120.500 0.019 0.000 2.088 530 R HA -0.176 4.164 4.340 -0.000 0.000 0.232 530 R C 2.359 178.685 176.300 0.043 0.000 1.136 530 R CA 1.608 57.723 56.100 0.025 0.000 0.926 530 R CB -0.389 29.925 30.300 0.025 0.000 0.837 530 R HN 0.214 nan 8.270 nan 0.000 0.429 531 L N 0.639 121.890 121.223 0.047 0.000 2.129 531 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 531 L C 2.400 179.366 176.870 0.161 0.000 1.087 531 L CA 1.088 55.962 54.840 0.057 0.000 0.757 531 L CB -0.389 41.571 42.059 -0.165 0.000 0.896 531 L HN 0.313 nan 8.230 nan 0.000 0.434 532 L N -0.939 120.393 121.223 0.182 0.000 2.131 532 L HA -0.159 4.181 4.340 -0.000 0.000 0.206 532 L C 2.675 179.566 176.870 0.035 0.000 1.087 532 L CA 0.609 55.525 54.840 0.127 0.000 0.767 532 L CB -0.289 41.787 42.059 0.028 0.000 0.917 532 L HN 0.260 nan 8.230 nan 0.000 0.441 533 Q N 0.824 120.639 119.800 0.026 0.000 2.046 533 Q HA -0.212 4.128 4.340 -0.000 0.000 0.200 533 Q C 1.857 177.860 176.000 0.004 0.000 0.975 533 Q CA 1.916 57.720 55.803 0.002 0.000 0.836 533 Q CB 0.041 28.781 28.738 0.003 0.000 0.896 533 Q HN 0.521 nan 8.270 nan 0.000 0.428 534 E N -0.912 119.304 120.200 0.026 0.000 2.140 534 E HA 0.091 4.441 4.350 -0.000 0.000 0.191 534 E C 0.253 176.878 176.600 0.042 0.000 0.973 534 E CA 0.914 57.332 56.400 0.031 0.000 0.829 534 E CB 0.425 30.150 29.700 0.042 0.000 0.781 534 E HN 0.132 nan 8.360 nan 0.000 0.466 535 S N 0.590 116.334 115.700 0.073 0.000 2.558 535 S HA 0.266 4.736 4.470 -0.000 0.000 0.238 535 S C 1.001 175.609 174.600 0.013 0.000 1.183 535 S CA -0.193 58.053 58.200 0.077 0.000 1.185 535 S CB 1.086 64.420 63.200 0.223 0.000 1.003 535 S HN 0.338 nan 8.310 nan 0.000 0.478 536 G N 3.579 112.367 108.800 -0.019 0.000 2.672 536 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.218 536 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.218 536 G C 1.450 176.280 174.900 -0.116 0.000 1.238 536 G CA 1.221 46.280 45.100 -0.069 0.000 0.791 536 G HN 0.566 nan 8.290 nan 0.000 0.606 537 N N 1.709 120.322 118.700 -0.145 0.000 2.272 537 N HA -0.108 4.632 4.740 -0.000 0.000 0.185 537 N C 2.326 177.748 175.510 -0.147 0.000 1.014 537 N CA 1.626 54.596 53.050 -0.132 0.000 0.870 537 N CB -0.568 37.856 38.487 -0.105 0.000 0.975 537 N HN 0.309 nan 8.380 nan 0.000 0.433 538 G N 0.520 109.203 108.800 -0.195 0.000 2.511 538 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 538 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 538 G C 1.358 175.664 174.900 -0.990 0.000 1.218 538 G CA 0.495 45.355 45.100 -0.400 0.000 0.788 538 G HN 0.232 nan 8.290 nan 0.000 0.560 539 F N 1.113 120.311 119.950 -1.252 0.000 1.993 539 F HA -0.177 4.350 4.527 -0.000 0.000 0.297 539 F C 3.053 178.579 175.800 -0.456 0.000 1.177 539 F CA 1.405 58.798 58.000 -1.011 0.000 1.182 539 F CB -0.985 37.721 39.000 -0.490 0.000 0.958 539 F HN 0.002 nan 8.300 nan 0.000 0.496 540 V N 0.446 120.341 119.914 -0.032 0.000 2.251 540 V HA -0.466 3.654 4.120 -0.000 0.000 0.259 540 V C 2.510 178.605 176.094 0.002 0.000 1.078 540 V CA 2.618 64.910 62.300 -0.014 0.000 1.072 540 V CB -1.003 30.839 31.823 0.033 0.000 0.681 540 V HN 0.342 nan 8.190 nan 0.000 0.454 541 R N -1.437 119.060 120.500 -0.006 0.000 2.081 541 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 541 R C 2.415 178.785 176.300 0.117 0.000 1.131 541 R CA 1.795 57.919 56.100 0.040 0.000 0.960 541 R CB -0.534 29.785 30.300 0.031 0.000 0.856 541 R HN 0.809 nan 8.270 nan 0.000 0.436 542 H N 0.388 119.451 119.070 -0.013 0.000 2.293 542 H HA -0.078 4.478 4.556 -0.000 0.000 0.300 542 H C 1.325 176.761 175.328 0.179 0.000 1.082 542 H CA 1.296 57.427 56.048 0.138 0.000 1.308 542 H CB 0.147 30.046 29.762 0.229 0.000 1.375 542 H HN 0.124 nan 8.280 nan 0.000 0.495 543 N N 0.726 119.435 118.700 0.015 0.000 2.585 543 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 543 N C 1.848 177.354 175.510 -0.006 0.000 1.102 543 N CA 0.527 53.541 53.050 -0.061 0.000 0.920 543 N CB -0.001 38.450 38.487 -0.060 0.000 0.963 543 N HN 0.245 nan 8.380 nan 0.000 0.447 544 V N 0.290 120.216 119.914 0.021 0.000 2.358 544 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 544 V C 1.727 177.859 176.094 0.063 0.000 1.047 544 V CA 1.979 64.256 62.300 -0.038 0.000 1.035 544 V CB -0.242 31.566 31.823 -0.025 0.000 0.658 544 V HN 0.370 nan 8.190 nan 0.000 0.452 545 S N -3.579 112.219 115.700 0.164 0.000 2.603 545 S HA 0.246 4.716 4.470 -0.000 0.000 0.232 545 S C 0.225 174.984 174.600 0.265 0.000 1.016 545 S CA -0.438 57.904 58.200 0.237 0.000 0.976 545 S CB 0.068 63.409 63.200 0.236 0.000 0.921 545 S HN 0.405 nan 8.310 nan 0.000 0.516 546 C N 1.408 120.842 119.300 0.223 0.000 2.779 546 C HA 0.648 5.108 4.460 -0.000 0.000 0.314 546 C C -0.302 174.774 174.990 0.144 0.000 1.231 546 C CA -1.007 58.144 59.018 0.221 0.000 1.652 546 C CB 1.347 29.272 27.740 0.309 0.000 2.198 546 C HN 0.526 nan 8.230 nan 0.000 0.483 547 L N 2.367 123.707 121.223 0.196 0.000 2.289 547 L HA 0.463 4.803 4.340 -0.000 0.000 0.285 547 L C -0.013 176.986 176.870 0.215 0.000 1.049 547 L CA 0.356 55.313 54.840 0.195 0.000 0.804 547 L CB 1.409 43.605 42.059 0.228 0.000 1.195 547 L HN 0.692 nan 8.230 nan 0.000 0.428 548 S N 3.181 119.010 115.700 0.216 0.000 2.501 548 S HA 0.565 5.035 4.470 -0.000 0.000 0.301 548 S C -0.551 174.240 174.600 0.318 0.000 1.096 548 S CA -0.718 57.688 58.200 0.344 0.000 1.063 548 S CB 2.131 65.549 63.200 0.364 0.000 1.042 548 S HN 0.493 nan 8.310 nan 0.000 0.494 549 R N 2.320 123.050 120.500 0.384 0.000 2.514 549 R HA 0.634 4.974 4.340 -0.000 0.000 0.301 549 R C -1.270 175.258 176.300 0.380 0.000 0.962 549 R CA -0.517 55.785 56.100 0.336 0.000 0.882 549 R CB 0.603 31.084 30.300 0.303 0.000 1.143 549 R HN 0.560 nan 8.270 nan 0.000 0.452 550 I N 4.869 125.615 120.570 0.294 0.000 2.582 550 I HA 0.363 4.533 4.170 -0.000 0.000 0.292 550 I C -0.953 175.279 176.117 0.193 0.000 1.066 550 I CA -0.963 60.436 61.300 0.165 0.000 1.053 550 I CB 1.675 39.725 38.000 0.083 0.000 1.241 550 I HN 0.689 nan 8.210 nan 0.000 0.421 551 Y N 4.072 124.405 120.300 0.055 0.000 2.634 551 Y HA 0.785 5.335 4.550 -0.000 0.000 0.340 551 Y C -3.009 172.778 175.900 -0.189 0.000 1.058 551 Y CA -3.220 54.870 58.100 -0.017 0.000 1.081 551 Y CB 0.433 38.883 38.460 -0.016 0.000 1.295 551 Y HN 0.245 nan 8.280 nan 0.000 0.487 552 P HA 0.177 nan 4.420 nan 0.000 0.271 552 P C -0.414 176.743 177.300 -0.237 0.000 1.218 552 P CA 0.027 63.001 63.100 -0.210 0.000 0.780 552 P CB 0.735 32.304 31.700 -0.218 0.000 0.901 553 A N 2.698 125.315 122.820 -0.338 0.000 2.531 553 A HA 0.304 4.624 4.320 -0.000 0.000 0.236 553 A C 1.929 179.347 177.584 -0.276 0.000 1.062 553 A CA 0.475 52.363 52.037 -0.249 0.000 0.760 553 A CB -0.855 18.039 19.000 -0.176 0.000 0.995 553 A HN 0.685 nan 8.150 nan 0.000 0.501 554 G N 1.454 110.242 108.800 -0.021 0.000 2.462 554 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 554 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 554 G C 1.138 176.060 174.900 0.036 0.000 1.121 554 G CA 1.068 46.198 45.100 0.050 0.000 0.758 554 G HN 1.029 nan 8.290 nan 0.000 0.559 555 W N 0.553 121.876 121.300 0.038 0.000 3.077 555 W HA 0.246 4.906 4.660 -0.000 0.000 0.245 555 W C 0.745 177.281 176.519 0.029 0.000 1.316 555 W CA -0.377 56.985 57.345 0.028 0.000 1.537 555 W CB -0.329 29.139 29.460 0.012 0.000 1.131 555 W HN 0.090 nan 8.180 nan 0.000 0.695 556 R N 2.332 122.460 120.500 -0.619 0.000 4.054 556 R HA -0.008 4.332 4.340 -0.000 0.000 0.227 556 R C 1.941 178.129 176.300 -0.188 0.000 1.902 556 R CA 0.814 56.562 56.100 -0.587 0.000 1.590 556 R CB -0.454 29.384 30.300 -0.769 0.000 1.245 556 R HN 0.164 nan 8.270 nan 0.000 0.647 557 T N -2.043 112.489 114.554 -0.036 0.000 2.946 557 T HA -0.166 4.184 4.350 -0.000 0.000 0.271 557 T C 1.249 175.953 174.700 0.006 0.000 1.104 557 T CA 1.422 63.534 62.100 0.020 0.000 1.114 557 T CB -0.103 68.802 68.868 0.062 0.000 0.867 557 T HN 0.344 nan 8.240 nan 0.000 0.513 558 D N 0.340 120.735 120.400 -0.007 0.000 2.349 558 D HA 0.113 4.753 4.640 -0.000 0.000 0.224 558 D C 0.806 177.080 176.300 -0.043 0.000 1.029 558 D CA 0.337 54.333 54.000 -0.007 0.000 0.879 558 D CB -0.549 40.261 40.800 0.017 0.000 0.906 558 D HN 0.360 nan 8.370 nan 0.000 0.528 559 S N -1.078 114.578 115.700 -0.073 0.000 3.382 559 S HA -0.207 4.263 4.470 -0.000 0.000 0.293 559 S C 0.490 175.023 174.600 -0.110 0.000 1.262 559 S CA 0.626 58.776 58.200 -0.084 0.000 0.969 559 S CB -2.224 60.936 63.200 -0.067 0.000 1.136 559 S HN 0.789 nan 8.310 nan 0.000 0.635 560 S N 1.434 117.055 115.700 -0.132 0.000 2.587 560 S HA 0.511 4.981 4.470 -0.000 0.000 0.260 560 S C 0.057 174.553 174.600 -0.173 0.000 1.353 560 S CA -0.426 57.695 58.200 -0.131 0.000 0.995 560 S CB 0.572 63.708 63.200 -0.107 0.000 0.912 560 S HN 0.415 nan 8.310 nan 0.000 0.568 561 N N -0.015 118.588 118.700 -0.162 0.000 2.381 561 N HA 0.485 5.225 4.740 -0.000 0.000 0.294 561 N C -0.982 174.449 175.510 -0.132 0.000 1.216 561 N CA -0.517 52.405 53.050 -0.214 0.000 0.803 561 N CB 1.463 39.758 38.487 -0.319 0.000 1.372 561 N HN 0.808 nan 8.380 nan 0.000 0.500 562 Y N -1.349 118.845 120.300 -0.178 0.000 2.565 562 Y HA 0.581 5.131 4.550 -0.000 0.000 0.325 562 Y C 0.800 176.615 175.900 -0.141 0.000 1.221 562 Y CA -1.283 56.739 58.100 -0.131 0.000 1.316 562 Y CB -0.066 38.314 38.460 -0.134 0.000 1.404 562 Y HN 0.331 nan 8.280 nan 0.000 0.527 563 S N 2.022 117.733 115.700 0.018 0.000 2.499 563 S HA 0.277 4.747 4.470 -0.000 0.000 0.275 563 S C -1.775 172.706 174.600 -0.198 0.000 1.257 563 S CA -1.340 56.795 58.200 -0.107 0.000 1.050 563 S CB 0.633 63.825 63.200 -0.014 0.000 0.937 563 S HN 0.615 nan 8.310 nan 0.000 0.490 564 P HA -0.029 nan 4.420 nan 0.000 0.220 564 P C 1.652 178.375 177.300 -0.961 0.000 1.152 564 P CA 0.489 63.096 63.100 -0.822 0.000 0.812 564 P CB -0.167 30.819 31.700 -1.191 0.000 0.792 565 V N 1.512 121.067 119.914 -0.598 0.000 2.250 565 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 565 V C 2.473 178.538 176.094 -0.049 0.000 1.060 565 V CA 2.220 64.431 62.300 -0.149 0.000 1.030 565 V CB -1.533 30.322 31.823 0.053 0.000 0.643 565 V HN 0.174 nan 8.190 nan 0.000 0.445 566 E N -0.350 119.809 120.200 -0.069 0.000 2.114 566 E HA -0.271 4.079 4.350 -0.000 0.000 0.199 566 E C 2.191 178.744 176.600 -0.078 0.000 1.008 566 E CA 1.768 58.141 56.400 -0.044 0.000 0.810 566 E CB -0.252 29.424 29.700 -0.039 0.000 0.739 566 E HN 0.477 nan 8.360 nan 0.000 0.456 567 M N -0.737 118.783 119.600 -0.133 0.000 2.193 567 M HA -0.080 4.400 4.480 -0.000 0.000 0.265 567 M C 1.888 178.158 176.300 -0.050 0.000 1.071 567 M CA 1.010 56.215 55.300 -0.157 0.000 1.140 567 M CB -1.043 31.476 32.600 -0.136 0.000 1.369 567 M HN 0.236 nan 8.290 nan 0.000 0.423 568 W N 2.017 123.289 121.300 -0.045 0.000 2.363 568 W HA -0.115 4.545 4.660 -0.000 0.000 0.296 568 W C 1.942 178.415 176.519 -0.076 0.000 1.212 568 W CA 0.904 58.208 57.345 -0.069 0.000 1.260 568 W CB -1.748 27.672 29.460 -0.066 0.000 1.131 568 W HN 0.361 nan 8.180 nan 0.000 0.530 569 N N -0.413 118.404 118.700 0.195 0.000 2.348 569 N HA -0.103 4.637 4.740 -0.000 0.000 0.185 569 N C 1.842 177.427 175.510 0.125 0.000 1.019 569 N CA 1.638 54.789 53.050 0.169 0.000 0.880 569 N CB -0.911 37.658 38.487 0.138 0.000 0.965 569 N HN 0.169 nan 8.380 nan 0.000 0.437 570 G N -1.399 107.375 108.800 -0.043 0.000 3.189 570 G HA2 0.350 4.310 3.960 -0.000 0.000 0.225 570 G HA3 0.350 4.310 3.960 -0.000 0.000 0.225 570 G C 0.977 175.760 174.900 -0.196 0.000 1.159 570 G CA 0.271 45.260 45.100 -0.185 0.000 0.763 570 G HN 0.405 nan 8.290 nan 0.000 0.549 571 G N -0.938 107.812 108.800 -0.083 0.000 2.179 571 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 571 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 571 G C 0.555 175.405 174.900 -0.083 0.000 0.977 571 G CA 0.099 45.148 45.100 -0.086 0.000 0.641 571 G HN 0.605 nan 8.290 nan 0.000 0.533 572 C N 2.316 121.533 119.300 -0.138 0.000 2.633 572 C HA 0.376 4.836 4.460 -0.000 0.000 0.415 572 C C 1.889 176.965 174.990 0.143 0.000 1.393 572 C CA 0.531 59.506 59.018 -0.073 0.000 1.700 572 C CB 0.878 28.519 27.740 -0.166 0.000 2.541 572 C HN 0.664 nan 8.230 nan 0.000 0.603 573 Q N 2.566 122.461 119.800 0.159 0.000 2.396 573 Q HA 0.178 4.518 4.340 -0.000 0.000 0.220 573 Q C 0.386 176.553 176.000 0.279 0.000 0.900 573 Q CA 1.102 57.038 55.803 0.223 0.000 0.925 573 Q CB 0.159 29.003 28.738 0.177 0.000 1.065 573 Q HN 0.847 nan 8.270 nan 0.000 0.535 574 I N 2.957 123.679 120.570 0.254 0.000 2.448 574 I HA 0.206 4.376 4.170 -0.000 0.000 0.284 574 I C -0.679 175.611 176.117 0.288 0.000 1.135 574 I CA -0.695 60.758 61.300 0.255 0.000 1.207 574 I CB 1.286 39.414 38.000 0.213 0.000 1.548 574 I HN -0.207 nan 8.210 nan 0.000 0.543 575 V N 4.159 124.295 119.914 0.369 0.000 2.338 575 V HA 0.301 4.421 4.120 -0.000 0.000 0.255 575 V C 0.995 177.264 176.094 0.292 0.000 1.082 575 V CA -0.427 62.072 62.300 0.332 0.000 0.951 575 V CB 0.590 32.589 31.823 0.294 0.000 1.102 575 V HN 0.660 nan 8.190 nan 0.000 0.489 576 A N 7.363 130.323 122.820 0.233 0.000 2.362 576 A HA 0.732 5.052 4.320 -0.000 0.000 0.276 576 A C -0.291 177.289 177.584 -0.007 0.000 1.153 576 A CA -0.195 51.927 52.037 0.141 0.000 0.813 576 A CB 0.250 19.381 19.000 0.218 0.000 1.081 576 A HN 0.761 nan 8.150 nan 0.000 0.507 577 L N 1.773 122.899 121.223 -0.162 0.000 2.309 577 L HA 0.401 4.741 4.340 -0.000 0.000 0.261 577 L C -0.409 176.421 176.870 -0.067 0.000 1.021 577 L CA -1.205 53.464 54.840 -0.286 0.000 0.823 577 L CB 1.624 43.302 42.059 -0.635 0.000 1.366 577 L HN 0.600 nan 8.230 nan 0.000 0.423 578 N N 1.287 119.928 118.700 -0.098 0.000 2.508 578 N HA 0.087 4.827 4.740 -0.000 0.000 0.253 578 N C 0.467 175.947 175.510 -0.050 0.000 1.145 578 N CA 0.043 53.071 53.050 -0.037 0.000 0.973 578 N CB 0.217 38.669 38.487 -0.057 0.000 1.305 578 N HN 0.441 nan 8.380 nan 0.000 0.506 579 F N 1.199 121.018 119.950 -0.219 0.000 2.605 579 F HA -0.133 4.394 4.527 -0.000 0.000 0.296 579 F C 1.836 177.543 175.800 -0.154 0.000 1.146 579 F CA 0.929 58.813 58.000 -0.193 0.000 1.478 579 F CB 0.114 39.006 39.000 -0.179 0.000 1.107 579 F HN 0.495 nan 8.300 nan 0.000 0.600 580 Q N -1.864 117.925 119.800 -0.019 0.000 2.373 580 Q HA 0.024 4.364 4.340 -0.000 0.000 0.210 580 Q C 1.042 176.995 176.000 -0.078 0.000 0.913 580 Q CA 0.650 56.425 55.803 -0.048 0.000 0.911 580 Q CB -0.646 28.051 28.738 -0.069 0.000 1.040 580 Q HN 0.164 nan 8.270 nan 0.000 0.521 581 T N 2.328 116.816 114.554 -0.110 0.000 2.468 581 T HA -0.123 4.227 4.350 -0.000 0.000 0.434 581 T C -2.315 172.293 174.700 -0.152 0.000 0.793 581 T CA -0.079 61.933 62.100 -0.147 0.000 3.938 581 T CB -1.532 67.262 68.868 -0.124 0.000 0.553 581 T HN 0.189 nan 8.240 nan 0.000 0.199 582 P HA 0.510 nan 4.420 nan 0.000 0.271 582 P C 0.665 177.852 177.300 -0.189 0.000 1.218 582 P CA 0.361 63.356 63.100 -0.175 0.000 0.780 582 P CB 0.934 32.526 31.700 -0.179 0.000 0.901 583 G N 2.398 111.071 108.800 -0.212 0.000 2.347 583 G HA2 0.138 4.098 3.960 -0.000 0.000 0.303 583 G HA3 0.138 4.098 3.960 -0.000 0.000 0.303 583 G C -2.761 172.051 174.900 -0.148 0.000 1.481 583 G CA -0.816 44.173 45.100 -0.186 0.000 0.914 583 G HN 0.113 nan 8.290 nan 0.000 0.638 584 P HA -0.054 nan 4.420 nan 0.000 0.218 584 P C 1.354 178.601 177.300 -0.088 0.000 1.146 584 P CA 1.451 64.520 63.100 -0.051 0.000 0.813 584 P CB 0.327 32.031 31.700 0.006 0.000 0.778 585 E N -1.531 118.599 120.200 -0.118 0.000 2.072 585 E HA -0.082 4.267 4.350 -0.000 0.000 0.190 585 E C 1.966 178.476 176.600 -0.150 0.000 0.982 585 E CA 1.127 57.430 56.400 -0.162 0.000 0.803 585 E CB -0.703 28.862 29.700 -0.226 0.000 0.755 585 E HN 0.113 nan 8.360 nan 0.000 0.453 586 M N 0.721 120.216 119.600 -0.175 0.000 2.254 586 M HA -0.080 4.400 4.480 -0.000 0.000 0.265 586 M C 1.120 177.386 176.300 -0.056 0.000 1.066 586 M CA 1.139 56.330 55.300 -0.182 0.000 1.123 586 M CB -0.586 31.852 32.600 -0.271 0.000 1.388 586 M HN 0.033 nan 8.290 nan 0.000 0.425 587 D N 0.101 120.468 120.400 -0.055 0.000 2.092 587 D HA -0.136 4.504 4.640 -0.000 0.000 0.193 587 D C 2.198 178.522 176.300 0.039 0.000 0.994 587 D CA 1.233 55.235 54.000 0.003 0.000 0.828 587 D CB -0.215 40.591 40.800 0.010 0.000 0.963 587 D HN 0.128 nan 8.370 nan 0.000 0.450 588 V N 0.176 120.088 119.914 -0.004 0.000 2.427 588 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 588 V C 2.137 178.349 176.094 0.195 0.000 1.051 588 V CA 1.260 63.565 62.300 0.009 0.000 1.048 588 V CB -0.553 31.180 31.823 -0.151 0.000 0.666 588 V HN 0.199 nan 8.190 nan 0.000 0.456 589 Y N 0.223 120.574 120.300 0.085 0.000 2.145 589 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 589 Y C 2.196 178.287 175.900 0.319 0.000 1.145 589 Y CA 1.707 59.980 58.100 0.288 0.000 1.148 589 Y CB -0.048 38.458 38.460 0.077 0.000 0.981 589 Y HN 0.130 nan 8.280 nan 0.000 0.507 590 L N -1.117 120.286 121.223 0.300 0.000 2.395 590 L HA -0.044 4.296 4.340 -0.000 0.000 0.218 590 L C 2.432 179.410 176.870 0.180 0.000 1.130 590 L CA 0.805 55.778 54.840 0.220 0.000 0.826 590 L CB -0.776 41.344 42.059 0.100 0.000 0.941 590 L HN 0.350 nan 8.230 nan 0.000 0.451 591 G N -0.898 108.000 108.800 0.163 0.000 2.411 591 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.213 591 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.213 591 G C 1.788 176.779 174.900 0.151 0.000 1.166 591 G CA 0.601 45.824 45.100 0.205 0.000 0.802 591 G HN 0.431 nan 8.290 nan 0.000 0.533 592 C N 0.332 119.619 119.300 -0.022 0.000 2.413 592 C HA -0.000 4.460 4.460 -0.000 0.000 0.277 592 C C 2.428 177.174 174.990 -0.406 0.000 1.228 592 C CA 0.871 59.679 59.018 -0.351 0.000 1.731 592 C CB -1.217 26.051 27.740 -0.787 0.000 2.042 592 C HN 0.324 nan 8.230 nan 0.000 0.468 593 F N 0.619 120.508 119.950 -0.101 0.000 2.802 593 F HA 0.073 4.600 4.527 -0.000 0.000 0.300 593 F C 2.452 178.276 175.800 0.040 0.000 1.168 593 F CA 0.658 58.621 58.000 -0.062 0.000 1.433 593 F CB -0.625 38.328 39.000 -0.078 0.000 1.115 593 F HN 0.294 nan 8.300 nan 0.000 0.582 594 Q N 0.476 120.394 119.800 0.197 0.000 2.167 594 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 594 Q C 0.753 176.875 176.000 0.203 0.000 0.970 594 Q CA 0.782 56.657 55.803 0.119 0.000 0.855 594 Q CB -0.483 28.263 28.738 0.014 0.000 0.911 594 Q HN 0.282 nan 8.270 nan 0.000 0.438 595 D N 0.576 121.181 120.400 0.341 0.000 2.346 595 D HA -0.111 4.529 4.640 -0.000 0.000 0.236 595 D C 0.297 176.746 176.300 0.249 0.000 1.259 595 D CA 0.355 54.565 54.000 0.351 0.000 0.898 595 D CB 0.344 41.223 40.800 0.131 0.000 1.178 595 D HN 0.090 nan 8.370 nan 0.000 0.457 596 N N 0.362 119.271 118.700 0.348 0.000 2.727 596 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 596 N C 0.705 176.347 175.510 0.220 0.000 1.048 596 N CA 1.861 55.022 53.050 0.186 0.000 0.714 596 N CB -1.353 37.094 38.487 -0.066 0.000 0.959 596 N HN 0.720 nan 8.380 nan 0.000 0.544 597 G N -1.446 107.518 108.800 0.273 0.000 2.166 597 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.260 597 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.260 597 G C 1.316 176.317 174.900 0.169 0.000 0.986 597 G CA 1.086 46.306 45.100 0.201 0.000 0.683 597 G HN 1.770 nan 8.290 nan 0.000 0.527 598 G N -1.508 107.397 108.800 0.175 0.000 2.225 598 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.267 598 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.267 598 G C 1.871 176.890 174.900 0.198 0.000 1.024 598 G CA 1.658 46.865 45.100 0.178 0.000 0.784 598 G HN 2.290 nan 8.290 nan 0.000 0.507 599 C N -1.925 117.508 119.300 0.222 0.000 2.491 599 C HA 0.534 4.994 4.460 -0.000 0.000 0.277 599 C C 2.440 177.614 174.990 0.308 0.000 1.455 599 C CA 0.756 59.955 59.018 0.301 0.000 1.758 599 C CB -0.877 27.072 27.740 0.348 0.000 1.745 599 C HN 2.341 nan 8.230 nan 0.000 0.558 600 G N -1.201 107.723 108.800 0.206 0.000 2.194 600 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.236 600 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.236 600 G C -0.395 174.413 174.900 -0.153 0.000 0.987 600 G CA 0.376 45.471 45.100 -0.007 0.000 0.635 600 G HN 0.638 nan 8.290 nan 0.000 0.520 601 Y N -0.314 120.016 120.300 0.051 0.000 2.338 601 Y HA 0.618 5.167 4.550 -0.000 0.000 0.333 601 Y C -0.090 175.842 175.900 0.053 0.000 0.968 601 Y CA -0.951 57.159 58.100 0.015 0.000 1.123 601 Y CB 2.448 40.712 38.460 -0.325 0.000 1.165 601 Y HN 0.111 nan 8.280 nan 0.000 0.452 602 V N 5.145 125.193 119.914 0.224 0.000 2.444 602 V HA 0.291 4.411 4.120 -0.000 0.000 0.294 602 V C -0.484 175.605 176.094 -0.007 0.000 1.022 602 V CA -0.955 61.345 62.300 0.001 0.000 0.850 602 V CB 1.846 33.509 31.823 -0.267 0.000 0.992 602 V HN 0.588 nan 8.190 nan 0.000 0.426 603 L N 6.293 127.477 121.223 -0.065 0.000 2.462 603 L HA 0.242 4.582 4.340 -0.000 0.000 0.272 603 L C 0.658 177.335 176.870 -0.323 0.000 1.166 603 L CA 0.684 55.358 54.840 -0.275 0.000 0.880 603 L CB 0.110 41.989 42.059 -0.301 0.000 1.142 603 L HN 0.559 nan 8.230 nan 0.000 0.473 604 K N 5.706 125.886 120.400 -0.366 0.000 2.276 604 K HA 0.246 4.566 4.320 -0.000 0.000 0.259 604 K C -2.214 174.134 176.600 -0.421 0.000 1.001 604 K CA -1.428 54.630 56.287 -0.382 0.000 0.927 604 K CB -0.013 32.267 32.500 -0.366 0.000 0.969 604 K HN 0.471 nan 8.250 nan 0.000 0.490 605 P HA -0.035 nan 4.420 nan 0.000 0.272 605 P C -0.041 176.894 177.300 -0.610 0.000 1.230 605 P CA 0.136 62.874 63.100 -0.602 0.000 0.788 605 P CB 0.610 31.716 31.700 -0.990 0.000 0.949 606 A N 2.777 125.365 122.820 -0.386 0.000 1.892 606 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 606 A C 1.802 179.275 177.584 -0.186 0.000 1.188 606 A CA 2.179 54.086 52.037 -0.216 0.000 0.631 606 A CB -1.939 17.023 19.000 -0.063 0.000 0.822 606 A HN 0.709 nan 8.150 nan 0.000 0.447 607 F N -0.737 119.176 119.950 -0.062 0.000 2.373 607 F HA 0.026 4.553 4.527 -0.000 0.000 0.300 607 F C 1.254 176.980 175.800 -0.124 0.000 1.080 607 F CA 0.843 58.828 58.000 -0.025 0.000 1.417 607 F CB -0.607 38.457 39.000 0.106 0.000 1.070 607 F HN 0.086 nan 8.300 nan 0.000 0.546 608 L N 0.088 120.993 121.223 -0.529 0.000 2.628 608 L HA 0.273 4.613 4.340 -0.000 0.000 0.229 608 L C 1.475 178.162 176.870 -0.306 0.000 1.137 608 L CA 0.143 54.776 54.840 -0.345 0.000 0.909 608 L CB -0.217 41.568 42.059 -0.457 0.000 1.137 608 L HN 0.121 nan 8.230 nan 0.000 0.470 609 R N -0.717 119.601 120.500 -0.304 0.000 2.508 609 R HA 0.093 4.433 4.340 -0.000 0.000 0.300 609 R C -0.258 175.925 176.300 -0.196 0.000 0.970 609 R CA -0.158 55.706 56.100 -0.394 0.000 1.102 609 R CB 0.583 30.628 30.300 -0.426 0.000 1.246 609 R HN 0.028 nan 8.270 nan 0.000 0.539 610 D N 1.353 121.707 120.400 -0.075 0.000 2.373 610 D HA 0.141 4.781 4.640 -0.000 0.000 0.227 610 D C -1.725 174.595 176.300 0.033 0.000 1.091 610 D CA -2.576 51.433 54.000 0.015 0.000 0.840 610 D CB 1.795 42.647 40.800 0.086 0.000 1.060 610 D HN -0.148 nan 8.370 nan 0.000 0.502 611 P HA -0.083 nan 4.420 nan 0.000 0.221 611 P C 0.077 177.418 177.300 0.068 0.000 1.145 611 P CA 1.047 64.181 63.100 0.057 0.000 0.795 611 P CB 0.166 31.907 31.700 0.070 0.000 0.775 612 N N -1.882 116.863 118.700 0.075 0.000 2.230 612 N HA 0.050 4.790 4.740 -0.000 0.000 0.202 612 N C -0.186 175.386 175.510 0.104 0.000 1.119 612 N CA -0.041 53.058 53.050 0.081 0.000 0.851 612 N CB -0.242 38.289 38.487 0.074 0.000 0.990 612 N HN 0.000 nan 8.380 nan 0.000 0.497 613 T N 0.306 114.933 114.554 0.122 0.000 2.939 613 T HA -0.029 4.321 4.350 -0.000 0.000 0.319 613 T C 1.395 176.173 174.700 0.131 0.000 1.082 613 T CA 0.511 62.715 62.100 0.173 0.000 1.133 613 T CB 0.687 69.669 68.868 0.191 0.000 1.019 613 T HN 0.277 nan 8.240 nan 0.000 0.548 614 T N -0.430 114.228 114.554 0.173 0.000 3.266 614 T HA 0.305 4.655 4.350 -0.000 0.000 0.278 614 T C -0.028 174.637 174.700 -0.058 0.000 1.010 614 T CA -0.702 61.458 62.100 0.099 0.000 0.909 614 T CB -0.457 68.516 68.868 0.175 0.000 1.122 614 T HN 0.414 nan 8.240 nan 0.000 0.536 615 F N 2.682 122.383 119.950 -0.415 0.000 2.410 615 F HA 0.605 5.132 4.527 -0.000 0.000 0.334 615 F C 0.134 175.663 175.800 -0.450 0.000 1.134 615 F CA -0.808 56.670 58.000 -0.869 0.000 1.227 615 F CB 0.718 39.117 39.000 -1.003 0.000 1.194 615 F HN 0.232 nan 8.300 nan 0.000 0.571 616 N N 2.571 120.241 118.700 -1.716 0.000 3.261 616 N HA -0.042 4.698 4.740 -0.000 0.000 0.227 616 N C 0.173 174.974 175.510 -1.181 0.000 1.338 616 N CA 0.541 52.905 53.050 -1.143 0.000 0.833 616 N CB 0.899 39.072 38.487 -0.523 0.000 1.606 616 N HN 0.697 nan 8.380 nan 0.000 0.649 617 S N 2.334 117.253 115.700 -1.301 0.000 2.461 617 S HA -0.139 4.331 4.470 -0.000 0.000 0.246 617 S C 1.327 175.769 174.600 -0.265 0.000 1.007 617 S CA 0.825 58.705 58.200 -0.532 0.000 0.976 617 S CB -0.010 63.138 63.200 -0.087 0.000 0.763 617 S HN 0.545 nan 8.310 nan 0.000 0.508 618 R N 0.917 121.250 120.500 -0.279 0.000 2.189 618 R HA 0.342 4.682 4.340 -0.000 0.000 0.203 618 R C 0.685 176.904 176.300 -0.134 0.000 1.012 618 R CA 0.902 56.910 56.100 -0.153 0.000 1.015 618 R CB -0.223 30.001 30.300 -0.127 0.000 0.938 618 R HN 0.469 nan 8.270 nan 0.000 0.472 619 A N 1.889 124.593 122.820 -0.192 0.000 2.842 619 A HA 0.421 4.741 4.320 -0.000 0.000 0.339 619 A C -0.299 177.200 177.584 -0.141 0.000 1.177 619 A CA -0.543 51.412 52.037 -0.136 0.000 0.797 619 A CB 0.173 19.096 19.000 -0.128 0.000 1.094 619 A HN 0.064 nan 8.150 nan 0.000 0.474 620 L N 2.282 123.469 121.223 -0.059 0.000 2.367 620 L HA 0.487 4.827 4.340 -0.000 0.000 0.275 620 L C 0.944 177.850 176.870 0.061 0.000 1.129 620 L CA 0.051 54.928 54.840 0.060 0.000 0.839 620 L CB 1.203 43.394 42.059 0.221 0.000 1.133 620 L HN 0.750 nan 8.230 nan 0.000 0.453 621 T N -0.579 114.092 114.554 0.195 0.000 2.887 621 T HA 0.382 4.732 4.350 -0.000 0.000 0.292 621 T C -0.489 174.218 174.700 0.011 0.000 1.087 621 T CA -0.983 61.146 62.100 0.049 0.000 1.009 621 T CB 1.756 70.683 68.868 0.099 0.000 1.203 621 T HN 0.423 nan 8.240 nan 0.000 0.518 622 Q N 0.003 119.631 119.800 -0.286 0.000 2.386 622 Q HA 0.527 4.866 4.340 -0.000 0.000 0.282 622 Q C 0.166 175.825 176.000 -0.568 0.000 1.050 622 Q CA 1.416 56.929 55.803 -0.484 0.000 0.918 622 Q CB -0.156 28.329 28.738 -0.421 0.000 1.266 622 Q HN 1.295 nan 8.270 nan 0.000 0.423 623 G N 2.650 110.856 108.800 -0.989 0.000 2.328 623 G HA2 0.221 4.181 3.960 -0.000 0.000 0.295 623 G HA3 0.221 4.181 3.960 -0.000 0.000 0.295 623 G C -2.530 171.585 174.900 -1.308 0.000 1.413 623 G CA -0.399 43.736 45.100 -1.609 0.000 0.817 623 G HN 0.459 nan 8.290 nan 0.000 0.546 624 P HA -0.115 nan 4.420 nan 0.000 0.217 624 P C 1.588 178.713 177.300 -0.291 0.000 1.148 624 P CA 2.152 65.050 63.100 -0.337 0.000 0.828 624 P CB -0.158 31.520 31.700 -0.037 0.000 0.783 625 W N -1.644 119.432 121.300 -0.374 0.000 2.525 625 W HA 0.020 4.680 4.660 -0.000 0.000 0.259 625 W C 0.942 177.327 176.519 -0.223 0.000 1.253 625 W CA -0.707 56.234 57.345 -0.673 0.000 1.262 625 W CB -1.549 26.885 29.460 -1.709 0.000 1.122 625 W HN -0.086 nan 8.180 nan 0.000 0.607 626 W N 4.255 125.208 121.300 -0.578 0.000 2.416 626 W HA 0.400 5.060 4.660 -0.000 0.000 0.318 626 W C -0.511 175.884 176.519 -0.207 0.000 1.150 626 W CA -0.701 56.468 57.345 -0.293 0.000 1.392 626 W CB 0.331 29.567 29.460 -0.374 0.000 1.311 626 W HN -0.097 nan 8.180 nan 0.000 0.436 627 R N 6.188 126.355 120.500 -0.555 0.000 2.837 627 R HA 0.185 4.525 4.340 -0.000 0.000 0.245 627 R C -2.663 173.341 176.300 -0.493 0.000 1.712 627 R CA -1.598 54.257 56.100 -0.408 0.000 1.539 627 R CB 1.032 31.206 30.300 -0.209 0.000 1.490 627 R HN 0.172 nan 8.270 nan 0.000 0.667 628 P HA -0.047 nan 4.420 nan 0.000 0.264 628 P C -0.361 176.786 177.300 -0.255 0.000 1.183 628 P CA 0.619 63.414 63.100 -0.507 0.000 0.763 628 P CB 0.729 32.154 31.700 -0.457 0.000 0.807 629 E N 2.054 122.136 120.200 -0.196 0.000 2.343 629 E HA 0.390 4.740 4.350 -0.000 0.000 0.270 629 E C -0.613 176.017 176.600 0.050 0.000 0.895 629 E CA -0.922 55.466 56.400 -0.021 0.000 0.767 629 E CB 2.463 32.236 29.700 0.121 0.000 1.248 629 E HN 0.332 nan 8.360 nan 0.000 0.440 630 R N 1.935 122.495 120.500 0.101 0.000 2.310 630 R HA 0.379 4.719 4.340 -0.000 0.000 0.324 630 R C -1.189 175.204 176.300 0.156 0.000 0.955 630 R CA -0.741 55.419 56.100 0.099 0.000 0.830 630 R CB 0.614 30.937 30.300 0.038 0.000 1.154 630 R HN 0.357 nan 8.270 nan 0.000 0.458 631 L N 4.914 126.270 121.223 0.221 0.000 2.296 631 L HA 0.511 4.851 4.340 -0.000 0.000 0.286 631 L C -0.898 176.052 176.870 0.133 0.000 1.023 631 L CA -0.219 54.750 54.840 0.214 0.000 0.812 631 L CB 1.242 43.528 42.059 0.379 0.000 1.223 631 L HN 0.570 nan 8.230 nan 0.000 0.421 632 R N 4.602 125.126 120.500 0.041 0.000 2.480 632 R HA 0.721 5.061 4.340 -0.000 0.000 0.306 632 R C -1.561 174.736 176.300 -0.004 0.000 0.958 632 R CA -0.884 55.211 56.100 -0.007 0.000 0.861 632 R CB 2.193 32.456 30.300 -0.061 0.000 1.171 632 R HN 0.464 nan 8.270 nan 0.000 0.445 633 V N 3.207 123.149 119.914 0.046 0.000 2.487 633 V HA 0.453 4.573 4.120 -0.000 0.000 0.298 633 V C -0.040 176.046 176.094 -0.013 0.000 1.028 633 V CA -0.885 61.457 62.300 0.070 0.000 0.860 633 V CB 1.927 33.895 31.823 0.242 0.000 0.991 633 V HN 0.624 nan 8.190 nan 0.000 0.427 634 R N 4.690 125.142 120.500 -0.080 0.000 2.295 634 R HA 0.524 4.864 4.340 -0.000 0.000 0.324 634 R C -1.111 175.147 176.300 -0.069 0.000 0.968 634 R CA -0.745 55.278 56.100 -0.129 0.000 0.837 634 R CB 1.064 31.280 30.300 -0.140 0.000 1.133 634 R HN 0.575 nan 8.270 nan 0.000 0.450 635 I N 7.483 128.018 120.570 -0.058 0.000 2.294 635 I HA 0.058 4.228 4.170 -0.000 0.000 0.295 635 I C 1.272 177.472 176.117 0.137 0.000 1.098 635 I CA 0.078 61.410 61.300 0.054 0.000 1.277 635 I CB 0.539 38.554 38.000 0.024 0.000 1.434 635 I HN 0.756 nan 8.210 nan 0.000 0.498 636 I N 3.890 124.552 120.570 0.153 0.000 2.260 636 I HA -0.085 4.085 4.170 -0.000 0.000 0.237 636 I C 1.054 177.344 176.117 0.288 0.000 1.075 636 I CA 0.906 62.329 61.300 0.206 0.000 1.376 636 I CB 0.153 38.301 38.000 0.247 0.000 1.107 636 I HN 0.725 nan 8.210 nan 0.000 0.420 637 S N -1.019 114.886 115.700 0.343 0.000 2.643 637 S HA 0.723 5.193 4.470 -0.000 0.000 0.270 637 S C -0.590 174.217 174.600 0.344 0.000 1.166 637 S CA -0.489 57.870 58.200 0.264 0.000 0.815 637 S CB 1.472 64.733 63.200 0.102 0.000 1.139 637 S HN 0.227 nan 8.310 nan 0.000 0.472 638 G N -0.191 108.738 108.800 0.215 0.000 2.524 638 G HA2 0.632 4.591 3.960 -0.000 0.000 0.310 638 G HA3 0.632 4.591 3.960 -0.000 0.000 0.310 638 G C -1.935 172.951 174.900 -0.022 0.000 1.279 638 G CA -0.747 44.481 45.100 0.214 0.000 0.974 638 G HN 0.563 nan 8.290 nan 0.000 0.484 639 Q N 0.503 120.266 119.800 -0.063 0.000 2.330 639 Q HA 0.451 4.791 4.340 -0.000 0.000 0.269 639 Q C -0.216 175.675 176.000 -0.181 0.000 1.022 639 Q CA -0.572 55.097 55.803 -0.224 0.000 0.796 639 Q CB 1.998 30.591 28.738 -0.242 0.000 1.271 639 Q HN 0.666 nan 8.270 nan 0.000 0.450 640 Q N 1.502 121.171 119.800 -0.219 0.000 2.439 640 Q HA -0.224 4.116 4.340 -0.000 0.000 0.325 640 Q C -0.764 175.212 176.000 -0.040 0.000 1.372 640 Q CA 0.187 55.959 55.803 -0.051 0.000 0.909 640 Q CB -1.619 27.101 28.738 -0.030 0.000 1.167 640 Q HN 0.603 nan 8.270 nan 0.000 0.418 641 L N 1.861 123.068 121.223 -0.025 0.000 2.525 641 L HA 0.131 4.471 4.340 -0.000 0.000 0.278 641 L C -1.233 175.596 176.870 -0.067 0.000 1.218 641 L CA -1.389 53.429 54.840 -0.037 0.000 0.878 641 L CB -0.353 41.719 42.059 0.023 0.000 1.127 641 L HN 0.063 nan 8.230 nan 0.000 0.492 642 P HA 0.003 nan 4.420 nan 0.000 0.271 642 P C -0.711 176.547 177.300 -0.069 0.000 1.216 642 P CA -0.527 62.457 63.100 -0.194 0.000 0.771 642 P CB 0.636 32.035 31.700 -0.502 0.000 0.864 643 K N 4.160 124.547 120.400 -0.021 0.000 2.237 643 K HA 0.112 4.432 4.320 -0.000 0.000 0.283 643 K C -0.719 175.900 176.600 0.031 0.000 1.080 643 K CA -0.273 56.023 56.287 0.016 0.000 0.965 643 K CB -1.333 31.183 32.500 0.026 0.000 1.098 643 K HN 0.175 nan 8.250 nan 0.000 0.434 644 V N 5.885 125.824 119.914 0.041 0.000 2.450 644 V HA -0.056 4.064 4.120 -0.000 0.000 0.281 644 V C 0.228 176.368 176.094 0.076 0.000 1.019 644 V CA 0.032 62.378 62.300 0.076 0.000 1.062 644 V CB -0.696 31.190 31.823 0.105 0.000 0.979 644 V HN 0.933 nan 8.190 nan 0.000 0.477 645 N N 4.140 122.889 118.700 0.083 0.000 3.054 645 N HA -0.193 4.547 4.740 -0.000 0.000 0.305 645 N C -0.248 175.296 175.510 0.057 0.000 1.084 645 N CA 0.376 53.468 53.050 0.070 0.000 0.842 645 N CB -0.136 38.395 38.487 0.074 0.000 0.953 645 N HN 0.339 nan 8.380 nan 0.000 0.625 646 K N 1.512 121.941 120.400 0.049 0.000 2.274 646 K HA 0.217 4.537 4.320 -0.000 0.000 0.262 646 K C 0.065 176.686 176.600 0.036 0.000 0.961 646 K CA -0.842 55.469 56.287 0.041 0.000 0.833 646 K CB 0.923 33.446 32.500 0.039 0.000 1.102 646 K HN 0.130 nan 8.250 nan 0.000 0.436 647 N N 3.819 122.538 118.700 0.032 0.000 2.581 647 N HA -0.032 4.708 4.740 -0.000 0.000 0.230 647 N C -0.816 174.709 175.510 0.025 0.000 1.310 647 N CA 0.377 53.444 53.050 0.028 0.000 0.886 647 N CB -0.120 38.383 38.487 0.025 0.000 1.205 647 N HN 0.626 nan 8.380 nan 0.000 0.488 648 K N -2.126 118.289 120.400 0.026 0.000 2.491 648 K HA 0.263 4.583 4.320 -0.000 0.000 0.275 648 K C -1.133 175.482 176.600 0.024 0.000 0.982 648 K CA -0.881 55.420 56.287 0.024 0.000 0.794 648 K CB 0.110 32.624 32.500 0.023 0.000 1.488 648 K HN -0.295 nan 8.250 nan 0.000 0.360 649 N N 0.764 119.477 118.700 0.022 0.000 3.114 649 N HA 0.212 4.952 4.740 -0.000 0.000 0.289 649 N C -1.641 173.882 175.510 0.022 0.000 1.519 649 N CA -0.062 53.001 53.050 0.021 0.000 1.026 649 N CB 0.756 39.253 38.487 0.018 0.000 1.306 649 N HN 0.578 nan 8.380 nan 0.000 0.495 650 S N 0.606 116.322 115.700 0.027 0.000 2.664 650 S HA 0.676 5.146 4.470 -0.000 0.000 0.304 650 S C -0.326 174.295 174.600 0.034 0.000 1.099 650 S CA -0.579 57.640 58.200 0.030 0.000 1.003 650 S CB 0.736 63.956 63.200 0.034 0.000 1.092 650 S HN 0.210 nan 8.310 nan 0.000 0.525 651 I N 2.589 123.182 120.570 0.037 0.000 2.437 651 I HA 0.358 4.528 4.170 -0.000 0.000 0.298 651 I C 0.042 176.192 176.117 0.055 0.000 0.984 651 I CA -0.624 60.701 61.300 0.041 0.000 1.214 651 I CB 1.591 39.611 38.000 0.034 0.000 1.365 651 I HN 0.345 nan 8.210 nan 0.000 0.469 652 V N 3.780 123.731 119.914 0.060 0.000 3.178 652 V HA 0.000 4.120 4.120 -0.000 0.000 0.306 652 V C -0.237 175.916 176.094 0.098 0.000 1.107 652 V CA 0.202 62.550 62.300 0.080 0.000 1.195 652 V CB 0.219 32.090 31.823 0.079 0.000 0.993 652 V HN 0.679 nan 8.190 nan 0.000 0.493 653 D N 2.199 122.683 120.400 0.139 0.000 2.513 653 D HA 0.283 4.923 4.640 -0.000 0.000 0.295 653 D C -2.596 173.839 176.300 0.225 0.000 1.202 653 D CA -1.001 53.099 54.000 0.167 0.000 0.849 653 D CB 1.035 41.963 40.800 0.214 0.000 1.116 653 D HN 0.372 nan 8.370 nan 0.000 0.502 654 P HA 0.085 nan 4.420 nan 0.000 0.269 654 P C -0.163 177.450 177.300 0.521 0.000 1.209 654 P CA -0.155 63.163 63.100 0.362 0.000 0.776 654 P CB 1.445 33.411 31.700 0.444 0.000 0.876 655 K N 0.827 121.422 120.400 0.325 0.000 2.532 655 K HA 0.543 4.863 4.320 -0.000 0.000 0.265 655 K C -2.039 174.431 176.600 -0.217 0.000 0.948 655 K CA -0.931 55.411 56.287 0.092 0.000 0.842 655 K CB 1.921 34.492 32.500 0.118 0.000 1.392 655 K HN 0.173 nan 8.250 nan 0.000 0.436 656 V N 3.158 122.790 119.914 -0.470 0.000 2.680 656 V HA 0.539 4.659 4.120 -0.000 0.000 0.309 656 V C -0.493 175.494 176.094 -0.178 0.000 1.052 656 V CA -0.927 61.154 62.300 -0.365 0.000 0.908 656 V CB 1.777 33.259 31.823 -0.567 0.000 1.001 656 V HN 0.645 nan 8.190 nan 0.000 0.431 657 I N 3.859 124.362 120.570 -0.112 0.000 2.465 657 I HA 0.552 4.721 4.170 -0.000 0.000 0.291 657 I C -0.805 175.221 176.117 -0.152 0.000 1.014 657 I CA -0.725 60.499 61.300 -0.127 0.000 1.093 657 I CB 2.008 39.965 38.000 -0.072 0.000 1.267 657 I HN 0.238 nan 8.210 nan 0.000 0.431 658 V N 5.926 125.684 119.914 -0.260 0.000 2.487 658 V HA 0.425 4.545 4.120 -0.000 0.000 0.298 658 V C -0.254 175.615 176.094 -0.374 0.000 1.028 658 V CA -0.578 61.518 62.300 -0.340 0.000 0.860 658 V CB 2.081 33.752 31.823 -0.253 0.000 0.991 658 V HN 0.757 nan 8.190 nan 0.000 0.427 659 E N 4.932 124.896 120.200 -0.393 0.000 2.312 659 E HA 0.656 5.006 4.350 -0.000 0.000 0.267 659 E C -1.485 174.837 176.600 -0.464 0.000 0.894 659 E CA -0.946 55.209 56.400 -0.408 0.000 0.773 659 E CB 2.811 32.365 29.700 -0.244 0.000 1.241 659 E HN 0.332 nan 8.360 nan 0.000 0.432 660 I N 2.118 122.365 120.570 -0.538 0.000 2.436 660 I HA 0.288 4.458 4.170 -0.000 0.000 0.289 660 I C -0.427 175.484 176.117 -0.343 0.000 1.010 660 I CA -0.514 60.552 61.300 -0.391 0.000 1.098 660 I CB 1.053 38.779 38.000 -0.457 0.000 1.266 660 I HN 0.499 nan 8.210 nan 0.000 0.434 661 H N 3.730 122.742 119.070 -0.095 0.000 2.524 661 H HA 0.773 5.329 4.556 -0.000 0.000 0.353 661 H C 0.270 175.591 175.328 -0.012 0.000 1.136 661 H CA -0.428 55.597 56.048 -0.039 0.000 1.193 661 H CB 2.812 32.574 29.762 0.000 0.000 1.558 661 H HN 0.867 nan 8.280 nan 0.000 0.515 662 G N 0.896 109.751 108.800 0.093 0.000 2.498 662 G HA2 0.172 4.132 3.960 -0.000 0.000 0.181 662 G HA3 0.172 4.132 3.960 -0.000 0.000 0.181 662 G C -0.563 174.372 174.900 0.058 0.000 1.169 662 G CA -0.140 45.002 45.100 0.069 0.000 0.992 662 G HN 0.545 nan 8.290 nan 0.000 0.490 663 V N 0.583 120.527 119.914 0.050 0.000 2.963 663 V HA 0.541 4.661 4.120 -0.000 0.000 0.306 663 V C 1.902 178.008 176.094 0.020 0.000 1.077 663 V CA 1.051 63.385 62.300 0.058 0.000 1.124 663 V CB 0.565 32.438 31.823 0.085 0.000 0.987 663 V HN 1.823 nan 8.190 nan 0.000 0.487 664 G N 1.820 110.628 108.800 0.013 0.000 2.469 664 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 664 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 664 G C 1.513 176.410 174.900 -0.004 0.000 1.150 664 G CA 1.112 46.211 45.100 -0.003 0.000 0.763 664 G HN 0.994 nan 8.290 nan 0.000 0.561 665 R N 0.337 120.844 120.500 0.012 0.000 2.096 665 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 665 R C 1.648 177.948 176.300 -0.000 0.000 1.127 665 R CA 1.859 57.971 56.100 0.021 0.000 0.968 665 R CB -0.258 30.078 30.300 0.060 0.000 0.861 665 R HN 0.214 nan 8.270 nan 0.000 0.440 666 D N 0.356 120.743 120.400 -0.021 0.000 2.289 666 D HA -0.025 4.615 4.640 -0.000 0.000 0.207 666 D C 0.068 176.328 176.300 -0.066 0.000 0.966 666 D CA 0.752 54.720 54.000 -0.053 0.000 0.868 666 D CB -0.182 40.562 40.800 -0.093 0.000 0.943 666 D HN 0.235 nan 8.370 nan 0.000 0.514 667 T N 0.612 115.123 114.554 -0.072 0.000 2.849 667 T HA 0.401 4.751 4.350 -0.000 0.000 0.289 667 T C 0.588 175.217 174.700 -0.118 0.000 1.010 667 T CA 0.119 62.145 62.100 -0.124 0.000 1.161 667 T CB 1.034 69.838 68.868 -0.106 0.000 0.989 667 T HN 0.141 nan 8.240 nan 0.000 0.523 668 G N 0.521 109.211 108.800 -0.184 0.000 2.660 668 G HA2 0.619 4.579 3.960 -0.000 0.000 0.290 668 G HA3 0.619 4.579 3.960 -0.000 0.000 0.290 668 G C -1.363 173.418 174.900 -0.198 0.000 1.432 668 G CA -0.683 44.353 45.100 -0.107 0.000 0.807 668 G HN 0.847 nan 8.290 nan 0.000 0.485 669 S N -0.654 114.992 115.700 -0.091 0.000 2.535 669 S HA 0.819 5.289 4.470 -0.000 0.000 0.272 669 S C -1.284 173.254 174.600 -0.105 0.000 1.149 669 S CA -0.810 57.304 58.200 -0.143 0.000 0.888 669 S CB 1.548 64.659 63.200 -0.149 0.000 1.110 669 S HN 0.776 nan 8.310 nan 0.000 0.463 670 R N 1.840 122.187 120.500 -0.254 0.000 2.739 670 R HA 0.513 4.853 4.340 -0.000 0.000 0.271 670 R C -1.397 174.545 176.300 -0.596 0.000 1.010 670 R CA -0.747 55.066 56.100 -0.479 0.000 0.897 670 R CB 1.738 31.470 30.300 -0.948 0.000 1.236 670 R HN 0.906 nan 8.270 nan 0.000 0.466 671 Q N -0.743 118.808 119.800 -0.414 0.000 2.379 671 Q HA 0.497 4.837 4.340 -0.000 0.000 0.278 671 Q C -0.424 175.670 176.000 0.157 0.000 1.068 671 Q CA -0.896 54.812 55.803 -0.157 0.000 0.816 671 Q CB 2.137 30.832 28.738 -0.071 0.000 1.387 671 Q HN 0.663 nan 8.270 nan 0.000 0.413 672 T N -0.731 113.922 114.554 0.164 0.000 2.793 672 T HA 0.719 5.069 4.350 -0.000 0.000 0.299 672 T C 0.477 175.232 174.700 0.092 0.000 1.038 672 T CA 0.005 62.185 62.100 0.134 0.000 0.948 672 T CB 0.691 69.407 68.868 -0.254 0.000 1.231 672 T HN 0.801 nan 8.240 nan 0.000 0.538 673 A N -0.078 122.844 122.820 0.170 0.000 2.239 673 A HA 0.685 5.005 4.320 -0.000 0.000 0.303 673 A C 0.006 177.738 177.584 0.246 0.000 1.114 673 A CA -0.889 51.238 52.037 0.150 0.000 0.871 673 A CB 0.486 19.569 19.000 0.139 0.000 1.201 673 A HN 0.808 nan 8.150 nan 0.000 0.506 674 V N 0.855 120.838 119.914 0.116 0.000 2.644 674 V HA 0.306 4.426 4.120 -0.000 0.000 0.295 674 V C -0.414 175.767 176.094 0.145 0.000 1.053 674 V CA -0.399 61.986 62.300 0.141 0.000 0.987 674 V CB 1.246 32.994 31.823 -0.126 0.000 1.006 674 V HN 0.563 nan 8.190 nan 0.000 0.472 675 I N 2.602 123.271 120.570 0.165 0.000 2.355 675 I HA 0.287 4.457 4.170 -0.000 0.000 0.288 675 I C 0.483 176.614 176.117 0.023 0.000 0.999 675 I CA -0.232 61.066 61.300 -0.005 0.000 1.163 675 I CB 1.381 39.255 38.000 -0.211 0.000 1.316 675 I HN 0.583 nan 8.210 nan 0.000 0.454 676 T N 6.634 121.192 114.554 0.007 0.000 2.870 676 T HA 0.113 4.463 4.350 -0.000 0.000 0.300 676 T C 0.639 175.352 174.700 0.021 0.000 0.989 676 T CA -0.067 62.052 62.100 0.031 0.000 1.139 676 T CB -0.096 68.788 68.868 0.026 0.000 0.920 676 T HN 0.508 nan 8.240 nan 0.000 0.537 677 N N 2.888 121.614 118.700 0.043 0.000 2.688 677 N HA -0.183 4.557 4.740 -0.000 0.000 0.258 677 N C -0.741 174.778 175.510 0.015 0.000 1.016 677 N CA 0.630 53.699 53.050 0.032 0.000 0.747 677 N CB -0.960 37.542 38.487 0.025 0.000 0.895 677 N HN 0.648 nan 8.380 nan 0.000 0.543 678 N N -0.863 117.845 118.700 0.014 0.000 2.616 678 N HA 0.426 5.166 4.740 -0.000 0.000 0.281 678 N C 0.539 176.055 175.510 0.009 0.000 1.145 678 N CA 0.173 53.221 53.050 -0.002 0.000 0.919 678 N CB 0.918 39.368 38.487 -0.062 0.000 1.509 678 N HN 0.161 nan 8.380 nan 0.000 0.537 679 G N 1.105 109.936 108.800 0.052 0.000 2.944 679 G HA2 0.004 3.964 3.960 -0.000 0.000 0.223 679 G HA3 0.004 3.964 3.960 -0.000 0.000 0.223 679 G C 0.695 175.637 174.900 0.070 0.000 1.071 679 G CA -0.095 45.039 45.100 0.057 0.000 0.806 679 G HN 0.472 nan 8.290 nan 0.000 0.538 680 F N 2.898 122.806 119.950 -0.070 0.000 2.234 680 F HA 0.133 4.660 4.527 -0.000 0.000 0.296 680 F C 0.760 176.499 175.800 -0.101 0.000 1.089 680 F CA 1.180 59.129 58.000 -0.085 0.000 1.343 680 F CB 0.418 39.360 39.000 -0.097 0.000 1.040 680 F HN 0.262 nan 8.300 nan 0.000 0.498 681 N N -1.391 117.187 118.700 -0.203 0.000 2.609 681 N HA 0.203 4.943 4.740 -0.000 0.000 0.251 681 N C -3.285 172.074 175.510 -0.252 0.000 1.526 681 N CA -1.470 51.385 53.050 -0.325 0.000 0.931 681 N CB -0.625 37.626 38.487 -0.394 0.000 1.460 681 N HN -0.052 nan 8.380 nan 0.000 0.526 682 P HA 0.061 nan 4.420 nan 0.000 0.267 682 P C -0.587 176.325 177.300 -0.646 0.000 1.200 682 P CA 0.104 62.869 63.100 -0.558 0.000 0.772 682 P CB 0.970 32.182 31.700 -0.814 0.000 0.855 683 R N 2.676 122.785 120.500 -0.652 0.000 2.483 683 R HA 0.297 4.637 4.340 -0.000 0.000 0.303 683 R C 0.269 176.310 176.300 -0.431 0.000 0.987 683 R CA -0.497 55.362 56.100 -0.401 0.000 0.881 683 R CB 0.700 30.885 30.300 -0.192 0.000 1.177 683 R HN 0.492 nan 8.270 nan 0.000 0.451 684 W N 1.709 123.013 121.300 0.007 0.000 2.728 684 W HA 0.141 4.801 4.660 0.000 0.000 0.270 684 W C -0.022 176.480 176.519 -0.029 0.000 1.150 684 W CA 0.158 57.500 57.345 -0.006 0.000 1.518 684 W CB 0.264 29.726 29.460 0.004 0.000 1.069 684 W HN 0.615 nan 8.180 nan 0.000 0.590 685 D N 0.733 121.259 120.400 0.210 0.000 2.708 685 D HA -0.209 4.431 4.640 -0.000 0.000 0.236 685 D C -0.279 176.031 176.300 0.016 0.000 1.146 685 D CA 1.137 55.191 54.000 0.090 0.000 0.662 685 D CB -1.207 39.627 40.800 0.056 0.000 1.059 685 D HN 0.085 nan 8.370 nan 0.000 0.428 686 M N 0.657 120.239 119.600 -0.031 0.000 2.508 686 M HA 0.465 4.945 4.480 -0.000 0.000 0.327 686 M C -0.518 175.493 176.300 -0.482 0.000 1.160 686 M CA -0.337 54.820 55.300 -0.239 0.000 0.980 686 M CB 1.995 34.433 32.600 -0.269 0.000 1.693 686 M HN 0.046 nan 8.290 nan 0.000 0.452 687 E N 2.518 122.375 120.200 -0.571 0.000 2.312 687 E HA 0.679 5.029 4.350 -0.000 0.000 0.267 687 E C -1.929 174.257 176.600 -0.690 0.000 0.894 687 E CA -0.632 55.434 56.400 -0.556 0.000 0.773 687 E CB 1.386 30.926 29.700 -0.267 0.000 1.241 687 E HN 0.615 nan 8.360 nan 0.000 0.432 688 F N 0.675 120.529 119.950 -0.160 0.000 2.629 688 F HA 0.502 5.029 4.527 0.000 0.000 0.316 688 F C -0.317 175.202 175.800 -0.468 0.000 1.081 688 F CA -0.853 56.944 58.000 -0.338 0.000 0.954 688 F CB 2.190 40.951 39.000 -0.399 0.000 1.337 688 F HN 0.481 nan 8.300 nan 0.000 0.474 689 E N 0.640 120.540 120.200 -0.500 0.000 2.314 689 E HA 0.686 5.036 4.350 -0.000 0.000 0.272 689 E C -2.073 174.082 176.600 -0.741 0.000 0.884 689 E CA -0.532 55.603 56.400 -0.443 0.000 0.753 689 E CB 1.845 31.424 29.700 -0.202 0.000 1.213 689 E HN 0.397 nan 8.360 nan 0.000 0.432 690 F N 1.159 121.138 119.950 0.048 0.000 2.588 690 F HA 0.358 4.885 4.527 0.000 0.000 0.310 690 F C -0.192 175.623 175.800 0.025 0.000 1.082 690 F CA -0.832 57.186 58.000 0.029 0.000 0.929 690 F CB 2.032 41.055 39.000 0.038 0.000 1.254 690 F HN 0.297 nan 8.300 nan 0.000 0.455 691 E N 2.249 122.546 120.200 0.161 0.000 2.145 691 E HA 0.577 4.927 4.350 -0.000 0.000 0.270 691 E C -1.812 174.780 176.600 -0.014 0.000 0.906 691 E CA -0.460 55.971 56.400 0.052 0.000 0.761 691 E CB 1.764 31.468 29.700 0.008 0.000 1.116 691 E HN 0.486 nan 8.360 nan 0.000 0.408 692 V N 4.520 124.366 119.914 -0.114 0.000 2.378 692 V HA 0.119 4.239 4.120 -0.000 0.000 0.288 692 V C 1.275 177.121 176.094 -0.413 0.000 1.016 692 V CA -0.293 61.835 62.300 -0.287 0.000 0.840 692 V CB 1.141 32.645 31.823 -0.531 0.000 0.994 692 V HN 0.890 nan 8.190 nan 0.000 0.431 693 T N 1.542 115.849 114.554 -0.412 0.000 2.978 693 T HA 0.027 4.377 4.350 -0.000 0.000 0.262 693 T C 0.621 174.995 174.700 -0.543 0.000 1.063 693 T CA 0.606 62.318 62.100 -0.647 0.000 1.140 693 T CB 0.180 68.604 68.868 -0.741 0.000 0.886 693 T HN 0.354 nan 8.240 nan 0.000 0.470 694 V N 3.715 123.433 119.914 -0.326 0.000 2.446 694 V HA 0.303 4.423 4.120 -0.000 0.000 0.257 694 V C -1.548 174.376 176.094 -0.284 0.000 1.036 694 V CA -1.620 60.569 62.300 -0.185 0.000 1.196 694 V CB 0.757 32.591 31.823 0.019 0.000 1.446 694 V HN 0.254 nan 8.190 nan 0.000 0.558 695 P HA -0.205 nan 4.420 nan 0.000 0.217 695 P C 0.950 177.976 177.300 -0.456 0.000 1.148 695 P CA 1.382 63.927 63.100 -0.924 0.000 0.834 695 P CB 0.364 31.250 31.700 -1.355 0.000 0.783 696 D N -0.615 119.674 120.400 -0.185 0.000 2.384 696 D HA -0.047 4.593 4.640 -0.000 0.000 0.222 696 D C 1.583 177.850 176.300 -0.056 0.000 0.976 696 D CA 0.791 54.762 54.000 -0.048 0.000 0.915 696 D CB 0.056 40.886 40.800 0.051 0.000 0.896 696 D HN 0.337 nan 8.370 nan 0.000 0.523 697 L N -0.344 120.850 121.223 -0.048 0.000 2.858 697 L HA 0.277 4.617 4.340 -0.000 0.000 0.251 697 L C 0.828 177.705 176.870 0.012 0.000 1.149 697 L CA -0.247 54.588 54.840 -0.008 0.000 0.955 697 L CB 0.590 42.690 42.059 0.068 0.000 1.289 697 L HN -0.178 nan 8.230 nan 0.000 0.542 698 A N 0.643 123.443 122.820 -0.033 0.000 2.271 698 A HA 0.760 5.080 4.320 -0.000 0.000 0.288 698 A C -0.709 176.964 177.584 0.148 0.000 1.094 698 A CA -0.068 51.991 52.037 0.038 0.000 0.828 698 A CB 0.828 19.789 19.000 -0.067 0.000 1.091 698 A HN 0.133 nan 8.150 nan 0.000 0.493 699 L N -0.081 121.242 121.223 0.167 0.000 2.466 699 L HA 0.503 4.843 4.340 -0.000 0.000 0.258 699 L C -0.982 175.969 176.870 0.134 0.000 0.973 699 L CA -0.338 54.584 54.840 0.137 0.000 0.826 699 L CB 2.417 44.532 42.059 0.093 0.000 1.372 699 L HN 0.425 nan 8.230 nan 0.000 0.409 700 V N 2.090 122.050 119.914 0.076 0.000 2.448 700 V HA 0.615 4.735 4.120 -0.000 0.000 0.295 700 V C -0.379 175.708 176.094 -0.012 0.000 1.025 700 V CA -0.639 61.646 62.300 -0.026 0.000 0.859 700 V CB 1.821 33.602 31.823 -0.070 0.000 0.988 700 V HN 0.689 nan 8.190 nan 0.000 0.431 701 R N 3.485 123.931 120.500 -0.089 0.000 2.534 701 R HA 0.644 4.984 4.340 -0.000 0.000 0.301 701 R C -1.859 174.354 176.300 -0.146 0.000 0.961 701 R CA -0.502 55.600 56.100 0.003 0.000 0.871 701 R CB 1.295 31.663 30.300 0.114 0.000 1.170 701 R HN 0.540 nan 8.270 nan 0.000 0.446 702 F N 4.580 124.553 119.950 0.038 0.000 2.426 702 F HA 0.468 4.995 4.527 -0.000 0.000 0.348 702 F C 0.210 176.022 175.800 0.020 0.000 1.124 702 F CA -0.613 57.395 58.000 0.014 0.000 1.008 702 F CB 1.912 40.918 39.000 0.010 0.000 1.139 702 F HN 0.299 nan 8.300 nan 0.000 0.452 703 M N 4.330 123.997 119.600 0.111 0.000 2.327 703 M HA 0.715 5.195 4.480 -0.000 0.000 0.298 703 M C -2.048 174.233 176.300 -0.032 0.000 1.065 703 M CA -0.669 54.667 55.300 0.060 0.000 0.916 703 M CB 1.737 34.404 32.600 0.110 0.000 1.630 703 M HN 0.286 nan 8.290 nan 0.000 0.442 704 V N 4.074 123.909 119.914 -0.132 0.000 2.384 704 V HA 0.488 4.608 4.120 -0.000 0.000 0.287 704 V C -0.529 175.480 176.094 -0.142 0.000 1.020 704 V CA -0.563 61.660 62.300 -0.129 0.000 0.850 704 V CB 1.494 33.254 31.823 -0.106 0.000 0.987 704 V HN 0.873 nan 8.190 nan 0.000 0.436 705 E N 2.213 122.400 120.200 -0.023 0.000 2.221 705 E HA 0.351 4.701 4.350 -0.000 0.000 0.268 705 E C -1.153 175.507 176.600 0.100 0.000 0.933 705 E CA -0.777 55.649 56.400 0.043 0.000 0.809 705 E CB 2.061 31.818 29.700 0.095 0.000 1.190 705 E HN 0.657 nan 8.360 nan 0.000 0.406 706 D N 2.294 122.757 120.400 0.105 0.000 2.428 706 D HA 0.031 4.671 4.640 -0.000 0.000 0.221 706 D C -1.158 175.233 176.300 0.151 0.000 1.123 706 D CA -0.336 53.742 54.000 0.130 0.000 0.869 706 D CB -0.086 40.769 40.800 0.093 0.000 1.032 706 D HN 0.343 nan 8.370 nan 0.000 0.506 707 Y N 3.285 123.632 120.300 0.079 0.000 2.597 707 Y HA 0.190 4.740 4.550 -0.000 0.000 0.336 707 Y C -0.572 175.365 175.900 0.062 0.000 1.216 707 Y CA 0.557 58.700 58.100 0.071 0.000 1.463 707 Y CB 0.578 39.086 38.460 0.080 0.000 1.303 707 Y HN 0.251 nan 8.280 nan 0.000 0.576 708 D N 3.673 123.532 120.400 -0.903 0.000 2.686 708 D HA 0.129 4.769 4.640 -0.000 0.000 0.249 708 D C 0.456 176.207 176.300 -0.915 0.000 1.260 708 D CA -0.117 53.493 54.000 -0.650 0.000 0.910 708 D CB 1.942 42.583 40.800 -0.264 0.000 1.323 708 D HN 0.696 nan 8.370 nan 0.000 0.561 709 S N 0.851 116.205 115.700 -0.576 0.000 2.353 709 S HA -0.164 4.306 4.470 -0.000 0.000 0.222 709 S C 1.801 176.321 174.600 -0.133 0.000 1.035 709 S CA 0.914 58.995 58.200 -0.199 0.000 1.025 709 S CB -0.066 63.177 63.200 0.071 0.000 0.902 709 S HN 0.328 nan 8.310 nan 0.000 0.440 710 S N 2.017 117.656 115.700 -0.102 0.000 2.459 710 S HA 0.003 4.473 4.470 -0.000 0.000 0.204 710 S C 1.582 176.137 174.600 -0.075 0.000 1.102 710 S CA 1.071 59.236 58.200 -0.059 0.000 1.258 710 S CB -0.620 62.554 63.200 -0.043 0.000 1.033 710 S HN 0.836 nan 8.310 nan 0.000 0.398 711 S N 1.258 116.910 115.700 -0.080 0.000 2.625 711 S HA 0.299 4.769 4.470 -0.000 0.000 0.262 711 S C -0.084 174.459 174.600 -0.095 0.000 1.223 711 S CA -0.605 57.555 58.200 -0.066 0.000 0.993 711 S CB 0.245 63.420 63.200 -0.042 0.000 1.051 711 S HN 0.396 nan 8.310 nan 0.000 0.562 712 K N 0.827 121.195 120.400 -0.053 0.000 2.350 712 K HA 0.125 4.445 4.320 -0.000 0.000 0.279 712 K C -0.370 176.205 176.600 -0.043 0.000 1.027 712 K CA -0.438 55.825 56.287 -0.040 0.000 0.969 712 K CB 0.108 32.606 32.500 -0.003 0.000 0.954 712 K HN 0.578 nan 8.250 nan 0.000 0.474 713 N N 3.122 121.797 118.700 -0.041 0.000 2.454 713 N HA -0.021 4.719 4.740 -0.000 0.000 0.254 713 N C -0.761 174.784 175.510 0.058 0.000 1.228 713 N CA 0.252 53.298 53.050 -0.008 0.000 0.900 713 N CB 0.405 38.918 38.487 0.043 0.000 1.089 713 N HN 0.499 nan 8.380 nan 0.000 0.449 714 D N 0.850 121.293 120.400 0.073 0.000 2.304 714 D HA 0.084 4.724 4.640 -0.000 0.000 0.250 714 D C -0.100 176.304 176.300 0.173 0.000 1.107 714 D CA -0.189 53.882 54.000 0.119 0.000 0.885 714 D CB 0.468 41.327 40.800 0.099 0.000 1.192 714 D HN 0.333 nan 8.370 nan 0.000 0.436 715 F N 2.187 122.170 119.950 0.054 0.000 2.456 715 F HA 0.191 4.718 4.527 0.000 0.000 0.358 715 F C 0.664 176.512 175.800 0.080 0.000 1.095 715 F CA -0.048 57.991 58.000 0.064 0.000 1.216 715 F CB 0.462 39.495 39.000 0.056 0.000 1.125 715 F HN 0.323 nan 8.300 nan 0.000 0.549 716 I N 3.386 123.667 120.570 -0.482 0.000 3.300 716 I HA 0.387 4.557 4.170 -0.000 0.000 0.279 716 I C 1.033 176.836 176.117 -0.524 0.000 1.172 716 I CA 0.525 61.638 61.300 -0.311 0.000 1.431 716 I CB 0.262 38.163 38.000 -0.165 0.000 1.240 716 I HN 0.763 nan 8.210 nan 0.000 0.453 717 G N -0.327 107.852 108.800 -1.035 0.000 2.451 717 G HA2 0.497 4.456 3.960 -0.000 0.000 0.292 717 G HA3 0.497 4.456 3.960 -0.000 0.000 0.292 717 G C -2.090 172.534 174.900 -0.459 0.000 1.427 717 G CA -0.244 44.526 45.100 -0.551 0.000 0.792 717 G HN -0.090 nan 8.290 nan 0.000 0.498 718 Q N -0.806 119.007 119.800 0.022 0.000 2.687 718 Q HA 0.704 5.044 4.340 -0.000 0.000 0.295 718 Q C -1.987 174.133 176.000 0.199 0.000 0.920 718 Q CA -0.592 55.314 55.803 0.172 0.000 0.766 718 Q CB 1.756 30.756 28.738 0.437 0.000 1.467 718 Q HN 1.279 nan 8.270 nan 0.000 0.415 719 S N 0.384 116.219 115.700 0.225 0.000 2.563 719 S HA 0.615 5.085 4.470 -0.000 0.000 0.279 719 S C -1.808 172.957 174.600 0.276 0.000 1.155 719 S CA -0.163 58.172 58.200 0.226 0.000 0.928 719 S CB 1.481 64.787 63.200 0.175 0.000 1.107 719 S HN 0.515 nan 8.310 nan 0.000 0.462 720 T N 4.993 119.690 114.554 0.237 0.000 2.815 720 T HA 0.576 4.926 4.350 -0.000 0.000 0.289 720 T C -0.660 174.169 174.700 0.215 0.000 1.000 720 T CA -0.245 61.972 62.100 0.196 0.000 0.958 720 T CB 0.436 69.368 68.868 0.106 0.000 0.944 720 T HN 0.516 nan 8.240 nan 0.000 0.442 721 I N 5.352 126.000 120.570 0.129 0.000 2.378 721 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 721 I C -2.344 173.694 176.117 -0.133 0.000 0.992 721 I CA -2.647 58.597 61.300 -0.093 0.000 1.154 721 I CB 1.894 39.811 38.000 -0.137 0.000 1.315 721 I HN 0.296 nan 8.210 nan 0.000 0.448 722 P HA -0.120 nan 4.420 nan 0.000 0.267 722 P C 0.467 177.727 177.300 -0.066 0.000 1.200 722 P CA -0.057 62.974 63.100 -0.115 0.000 0.772 722 P CB 0.622 32.219 31.700 -0.172 0.000 0.855 723 W N 3.819 125.044 121.300 -0.125 0.000 2.317 723 W HA -0.235 4.425 4.660 -0.000 0.000 0.318 723 W C 0.745 177.213 176.519 -0.086 0.000 1.227 723 W CA 1.700 58.988 57.345 -0.094 0.000 1.269 723 W CB -0.733 28.684 29.460 -0.071 0.000 1.155 723 W HN 0.335 nan 8.180 nan 0.000 0.484 724 N N 0.333 119.132 118.700 0.165 0.000 2.571 724 N HA -0.075 4.665 4.740 -0.000 0.000 0.189 724 N C 1.080 176.627 175.510 0.063 0.000 1.154 724 N CA 1.158 54.269 53.050 0.102 0.000 0.907 724 N CB -0.165 38.419 38.487 0.161 0.000 0.977 724 N HN 0.011 nan 8.380 nan 0.000 0.449 725 S N -0.130 115.524 115.700 -0.076 0.000 2.559 725 S HA 0.179 4.649 4.470 -0.000 0.000 0.226 725 S C 0.251 174.654 174.600 -0.329 0.000 1.000 725 S CA -0.517 57.623 58.200 -0.101 0.000 0.948 725 S CB 0.641 63.658 63.200 -0.306 0.000 0.870 725 S HN 0.109 nan 8.310 nan 0.000 0.497 726 L N 3.991 125.007 121.223 -0.344 0.000 2.385 726 L HA 0.258 4.598 4.340 -0.000 0.000 0.281 726 L C 0.022 176.709 176.870 -0.304 0.000 1.106 726 L CA 0.192 54.822 54.840 -0.350 0.000 0.856 726 L CB 0.030 41.801 42.059 -0.480 0.000 1.186 726 L HN -0.079 nan 8.230 nan 0.000 0.453 727 K N 4.305 124.568 120.400 -0.227 0.000 2.237 727 K HA 0.212 4.532 4.320 -0.000 0.000 0.270 727 K C -0.336 176.143 176.600 -0.202 0.000 1.015 727 K CA -0.457 55.715 56.287 -0.191 0.000 0.949 727 K CB 1.133 33.553 32.500 -0.134 0.000 0.976 727 K HN 0.611 nan 8.250 nan 0.000 0.472 728 Q N -0.334 119.349 119.800 -0.195 0.000 2.205 728 Q HA 0.436 4.776 4.340 -0.000 0.000 0.249 728 Q C 0.198 176.057 176.000 -0.234 0.000 0.948 728 Q CA 0.275 55.948 55.803 -0.217 0.000 0.895 728 Q CB 1.531 30.148 28.738 -0.203 0.000 1.249 728 Q HN 0.830 nan 8.270 nan 0.000 0.458 729 G N 0.390 109.006 108.800 -0.307 0.000 2.466 729 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 729 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 729 G C -1.549 173.080 174.900 -0.452 0.000 1.237 729 G CA -0.609 44.256 45.100 -0.391 0.000 0.954 729 G HN 0.528 nan 8.290 nan 0.000 0.580 730 Y N 2.443 122.607 120.300 -0.226 0.000 2.365 730 Y HA 0.713 5.262 4.550 -0.000 0.000 0.340 730 Y C 1.287 176.996 175.900 -0.318 0.000 1.016 730 Y CA 0.008 57.920 58.100 -0.314 0.000 1.196 730 Y CB 1.083 39.527 38.460 -0.026 0.000 1.167 730 Y HN 0.524 nan 8.280 nan 0.000 0.509 731 R N 1.405 121.680 120.500 -0.374 0.000 2.764 731 R HA 0.392 4.732 4.340 -0.000 0.000 0.270 731 R C -1.582 174.469 176.300 -0.414 0.000 1.014 731 R CA -1.343 54.588 56.100 -0.281 0.000 0.904 731 R CB 1.618 31.787 30.300 -0.217 0.000 1.236 731 R HN 0.693 nan 8.270 nan 0.000 0.466 732 H N -0.693 118.338 119.070 -0.065 0.000 2.472 732 H HA 0.462 5.018 4.556 -0.000 0.000 0.338 732 H C -0.495 174.712 175.328 -0.202 0.000 1.133 732 H CA -0.527 55.456 56.048 -0.107 0.000 1.216 732 H CB 1.985 31.645 29.762 -0.171 0.000 1.497 732 H HN 0.036 nan 8.280 nan 0.000 0.500 733 V N 3.582 123.395 119.914 -0.169 0.000 2.370 733 V HA 0.109 4.229 4.120 -0.000 0.000 0.279 733 V C -0.458 175.528 176.094 -0.179 0.000 1.029 733 V CA -0.640 61.536 62.300 -0.208 0.000 0.870 733 V CB 0.501 32.043 31.823 -0.469 0.000 0.984 733 V HN 0.817 nan 8.190 nan 0.000 0.451 734 H N 4.864 123.934 119.070 -0.001 0.000 2.705 734 H HA 0.444 5.000 4.556 -0.000 0.000 0.291 734 H C -0.091 175.266 175.328 0.049 0.000 1.085 734 H CA -0.274 55.791 56.048 0.027 0.000 1.357 734 H CB 0.538 30.313 29.762 0.022 0.000 1.419 734 H HN 0.507 nan 8.280 nan 0.000 0.462 735 L N 4.781 126.081 121.223 0.129 0.000 2.416 735 L HA 0.176 4.516 4.340 -0.000 0.000 0.272 735 L C -0.080 176.914 176.870 0.207 0.000 1.161 735 L CA -0.058 54.872 54.840 0.150 0.000 0.845 735 L CB 0.380 42.507 42.059 0.113 0.000 1.119 735 L HN 0.411 nan 8.230 nan 0.000 0.464 736 L N 1.906 123.235 121.223 0.176 0.000 2.334 736 L HA 0.474 4.814 4.340 -0.000 0.000 0.270 736 L C 0.575 177.532 176.870 0.146 0.000 1.018 736 L CA -0.605 54.294 54.840 0.099 0.000 0.811 736 L CB 1.958 44.078 42.059 0.102 0.000 1.271 736 L HN 0.733 nan 8.230 nan 0.000 0.443 737 S N 0.116 115.779 115.700 -0.062 0.000 2.634 737 S HA 0.129 4.599 4.470 -0.000 0.000 0.261 737 S C 0.894 175.621 174.600 0.212 0.000 1.271 737 S CA -0.380 57.878 58.200 0.097 0.000 0.985 737 S CB 0.804 63.926 63.200 -0.130 0.000 0.968 737 S HN 0.760 nan 8.310 nan 0.000 0.568 738 K N 0.716 121.228 120.400 0.187 0.000 2.211 738 K HA -0.086 4.234 4.320 -0.000 0.000 0.204 738 K C 0.841 177.380 176.600 -0.101 0.000 1.047 738 K CA 1.519 57.715 56.287 -0.153 0.000 0.935 738 K CB -0.599 31.744 32.500 -0.262 0.000 0.728 738 K HN 0.498 nan 8.250 nan 0.000 0.452 739 N N 0.639 119.314 118.700 -0.042 0.000 2.383 739 N HA 0.033 4.773 4.740 -0.000 0.000 0.192 739 N C 0.702 176.188 175.510 -0.041 0.000 1.141 739 N CA 0.905 53.925 53.050 -0.048 0.000 0.851 739 N CB 0.955 39.423 38.487 -0.033 0.000 0.976 739 N HN 0.579 nan 8.380 nan 0.000 0.465 740 G N 1.074 109.859 108.800 -0.025 0.000 2.162 740 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.260 740 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.260 740 G C -0.474 174.412 174.900 -0.023 0.000 0.976 740 G CA -0.048 45.045 45.100 -0.011 0.000 0.655 740 G HN 0.278 nan 8.290 nan 0.000 0.533 741 D N 0.608 120.973 120.400 -0.058 0.000 2.341 741 D HA 0.325 4.965 4.640 -0.000 0.000 0.245 741 D C 0.646 176.868 176.300 -0.130 0.000 1.106 741 D CA 0.096 54.044 54.000 -0.086 0.000 0.905 741 D CB 0.656 41.391 40.800 -0.109 0.000 1.202 741 D HN 0.271 nan 8.370 nan 0.000 0.426 742 Q N 1.328 121.084 119.800 -0.074 0.000 2.307 742 Q HA 0.046 4.386 4.340 -0.000 0.000 0.259 742 Q C -0.407 175.586 176.000 -0.012 0.000 0.998 742 Q CA -0.207 55.578 55.803 -0.030 0.000 0.923 742 Q CB 0.544 29.284 28.738 0.003 0.000 1.196 742 Q HN 0.328 nan 8.270 nan 0.000 0.416 743 H N 5.424 124.538 119.070 0.073 0.000 2.878 743 H HA 0.040 4.596 4.556 -0.000 0.000 0.290 743 H C -1.292 174.079 175.328 0.071 0.000 1.065 743 H CA -1.982 54.106 56.048 0.067 0.000 1.477 743 H CB 0.801 30.601 29.762 0.063 0.000 1.484 743 H HN 0.506 nan 8.280 nan 0.000 0.504 744 P HA -0.156 nan 4.420 nan 0.000 0.214 744 P C 0.616 177.986 177.300 0.116 0.000 1.172 744 P CA 1.351 64.529 63.100 0.130 0.000 0.925 744 P CB 0.344 32.106 31.700 0.103 0.000 0.793 745 S N -1.418 114.329 115.700 0.078 0.000 2.575 745 S HA 0.444 4.914 4.470 -0.000 0.000 0.237 745 S C 0.808 175.397 174.600 -0.018 0.000 0.975 745 S CA -0.299 57.916 58.200 0.024 0.000 0.960 745 S CB 0.153 63.357 63.200 0.007 0.000 0.822 745 S HN 0.289 nan 8.310 nan 0.000 0.472 746 A N 2.642 125.470 122.820 0.013 0.000 2.310 746 A HA 0.613 4.933 4.320 -0.000 0.000 0.300 746 A C 0.595 178.154 177.584 -0.042 0.000 1.269 746 A CA -0.292 51.727 52.037 -0.029 0.000 0.909 746 A CB -0.070 18.898 19.000 -0.053 0.000 1.144 746 A HN 0.359 nan 8.150 nan 0.000 0.540 747 T N -0.039 114.462 114.554 -0.089 0.000 2.812 747 T HA 0.755 5.105 4.350 -0.000 0.000 0.294 747 T C -0.712 173.983 174.700 -0.008 0.000 1.159 747 T CA -0.817 61.205 62.100 -0.129 0.000 1.008 747 T CB 1.084 69.801 68.868 -0.251 0.000 1.289 747 T HN 0.429 nan 8.240 nan 0.000 0.514 748 L N 0.942 122.171 121.223 0.011 0.000 2.408 748 L HA 0.658 4.998 4.340 -0.000 0.000 0.268 748 L C -1.532 175.408 176.870 0.116 0.000 0.986 748 L CA -0.997 53.891 54.840 0.080 0.000 0.820 748 L CB 2.337 44.382 42.059 -0.022 0.000 1.303 748 L HN 0.719 nan 8.230 nan 0.000 0.411 749 F N 4.301 124.233 119.950 -0.030 0.000 2.411 749 F HA 0.640 5.167 4.527 -0.000 0.000 0.352 749 F C -0.245 175.481 175.800 -0.123 0.000 1.123 749 F CA -0.601 57.258 58.000 -0.234 0.000 1.044 749 F CB 1.268 40.162 39.000 -0.177 0.000 1.135 749 F HN 0.132 nan 8.300 nan 0.000 0.461 750 V N 2.710 122.237 119.914 -0.646 0.000 3.158 750 V HA 0.710 4.830 4.120 -0.000 0.000 0.311 750 V C -1.544 174.194 176.094 -0.593 0.000 1.181 750 V CA -1.217 60.813 62.300 -0.450 0.000 1.054 750 V CB 1.927 33.615 31.823 -0.224 0.000 1.085 750 V HN 0.748 nan 8.190 nan 0.000 0.446 751 K N 1.028 121.176 120.400 -0.421 0.000 2.507 751 K HA 0.776 5.095 4.320 -0.000 0.000 0.252 751 K C -1.752 174.640 176.600 -0.346 0.000 0.943 751 K CA -0.448 55.520 56.287 -0.531 0.000 0.808 751 K CB 1.621 33.725 32.500 -0.660 0.000 1.142 751 K HN 0.822 nan 8.250 nan 0.000 0.426 752 I N 2.832 123.203 120.570 -0.331 0.000 2.530 752 I HA 0.422 4.592 4.170 -0.000 0.000 0.297 752 I C -0.765 175.208 176.117 -0.241 0.000 1.011 752 I CA -0.582 60.582 61.300 -0.226 0.000 1.107 752 I CB 2.210 40.092 38.000 -0.196 0.000 1.285 752 I HN 0.741 nan 8.210 nan 0.000 0.436 753 S N 6.840 122.428 115.700 -0.186 0.000 2.548 753 S HA 0.754 5.224 4.470 -0.000 0.000 0.276 753 S C -1.142 173.386 174.600 -0.119 0.000 1.129 753 S CA -0.642 57.456 58.200 -0.170 0.000 0.931 753 S CB 1.489 64.594 63.200 -0.159 0.000 1.068 753 S HN 0.482 nan 8.310 nan 0.000 0.480 754 I N 2.820 123.325 120.570 -0.108 0.000 2.499 754 I HA 0.477 4.647 4.170 -0.000 0.000 0.288 754 I C -1.031 175.085 176.117 -0.002 0.000 1.048 754 I CA -0.506 60.770 61.300 -0.039 0.000 1.062 754 I CB 2.083 40.026 38.000 -0.096 0.000 1.238 754 I HN 0.556 nan 8.210 nan 0.000 0.426 755 Q N 4.521 124.344 119.800 0.037 0.000 2.331 755 Q HA 0.398 4.738 4.340 -0.000 0.000 0.272 755 Q C -1.349 174.673 176.000 0.037 0.000 1.062 755 Q CA -0.838 54.978 55.803 0.022 0.000 0.806 755 Q CB 2.828 31.565 28.738 -0.001 0.000 1.312 755 Q HN 0.516 nan 8.270 nan 0.000 0.431 756 D N 0.000 120.416 120.400 0.026 0.000 6.856 756 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 756 D CA 0.000 54.007 54.000 0.012 0.000 0.868 756 D CB 0.000 40.805 40.800 0.008 0.000 0.688 756 D HN 0.000 nan 8.370 nan 0.000 0.683