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 3fby_1_A DATA FIRST_RESID 223 DATA SEQUENCE NSAQRFcPDG SPSEcHEHAD cVLERDGSRS cVcAVGWAGN GILcGRDTDL DATA SEQUENCE DGFPDEKLRc PERQcRKDNc VTVPNSGQED VDRDGIGDAc DPDADGDGVP DATA SEQUENCE NEKDNcPLVR NPDQRNTDED KWGDAcDNcR SQKNDDQKDT DQDGRGDAcD DATA SEQUENCE DDIDGDRIRN QADNcPRVPN SDQKDSDGDG IGDAcDNcPQ KSNPDQADVD DATA SEQUENCE HDFVGDAcDS DQDQDGDGHQ DSRDNcPTVP NSAQEDSDHD GQGDAcDDDD DATA SEQUENCE DNDGVPDSRD NcRLVPNPGQ EDADRDGVGD VcQDDFDADK VVDKIDVcPE DATA SEQUENCE NAEVTLTDFR AFQTVVLDPE GDAQIDPNWV VLNQGREIVQ TMNSDPGLAV DATA SEQUENCE GYTAFNGVDF EGTFHVNTVT DDDYAGFIFG YQDSSSFYVV MWKQMEQTYW DATA SEQUENCE QANPFRAVAE PGIQLKAVKS STGPGEQLRN ALWHTGDTES QVRLLWKDPR DATA SEQUENCE NVGWKDKKSY RWFLQHRPQV GYIRVRFYEG PELVADSNVV LDTTMRGGRL DATA SEQUENCE GVFCFSQENI IWANLRYRcN DTIPEDYETH QLRQA 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 223 N HA 0.000 nan 4.740 nan 0.000 0.220 223 N C 0.000 175.489 175.510 -0.036 0.000 1.280 223 N CA 0.000 53.038 53.050 -0.021 0.000 0.885 223 N CB 0.000 38.474 38.487 -0.021 0.000 1.341 224 S N 0.578 116.243 115.700 -0.058 0.000 2.654 224 S HA 0.960 5.430 4.470 0.000 0.000 0.283 224 S C -0.043 174.495 174.600 -0.103 0.000 1.180 224 S CA -0.452 57.699 58.200 -0.082 0.000 1.021 224 S CB 1.673 64.805 63.200 -0.113 0.000 1.018 224 S HN 1.067 nan 8.310 nan 0.000 0.532 225 A N 1.223 123.977 122.820 -0.109 0.000 2.435 225 A HA 0.628 4.948 4.320 0.000 0.000 0.296 225 A C -0.596 176.891 177.584 -0.161 0.000 1.147 225 A CA -1.075 50.888 52.037 -0.122 0.000 0.775 225 A CB 0.848 19.790 19.000 -0.097 0.000 1.340 225 A HN 0.861 nan 8.150 nan 0.000 0.427 226 Q N 1.152 120.838 119.800 -0.189 0.000 2.297 226 Q HA 0.240 4.580 4.340 0.000 0.000 0.267 226 Q C -0.213 175.598 176.000 -0.315 0.000 1.006 226 Q CA -0.034 55.625 55.803 -0.240 0.000 0.896 226 Q CB 0.671 29.263 28.738 -0.244 0.000 1.186 226 Q HN 0.431 nan 8.270 nan 0.000 0.392 227 R N 1.456 121.787 120.500 -0.280 0.000 2.549 227 R HA 0.458 4.798 4.340 0.000 0.000 0.259 227 R C -0.388 175.664 176.300 -0.413 0.000 1.095 227 R CA -0.476 55.462 56.100 -0.269 0.000 1.148 227 R CB 0.397 30.630 30.300 -0.111 0.000 1.181 227 R HN 0.429 nan 8.270 nan 0.000 0.571 228 F N -0.754 119.176 119.950 -0.034 0.000 2.399 228 F HA 0.307 4.834 4.527 0.000 0.000 0.328 228 F C 0.841 176.625 175.800 -0.027 0.000 1.084 228 F CA -0.536 57.447 58.000 -0.028 0.000 1.053 228 F CB 0.733 39.720 39.000 -0.022 0.000 1.209 228 F HN 0.232 nan 8.300 nan 0.000 0.502 229 c N 2.566 121.271 118.600 0.174 0.000 2.705 229 c HA 0.069 4.639 4.570 0.000 0.000 0.348 229 c C -0.722 173.417 174.090 0.082 0.000 1.386 229 c CA -0.393 55.989 56.329 0.087 0.000 2.361 229 c CB 0.316 42.861 42.510 0.059 0.000 2.486 229 c HN 0.641 nan 8.230 nan 0.000 0.728 230 P HA -0.079 nan 4.420 nan 0.000 0.222 230 P C 0.723 178.037 177.300 0.023 0.000 1.147 230 P CA 1.322 64.441 63.100 0.031 0.000 0.790 230 P CB -0.105 31.607 31.700 0.020 0.000 0.780 231 D N -2.196 118.219 120.400 0.024 0.000 2.339 231 D HA 0.087 4.727 4.640 0.000 0.000 0.217 231 D C 1.482 177.782 176.300 0.000 0.000 1.050 231 D CA 0.683 54.690 54.000 0.011 0.000 0.856 231 D CB -0.645 40.163 40.800 0.012 0.000 0.922 231 D HN 0.216 nan 8.370 nan 0.000 0.518 232 G N 0.455 109.266 108.800 0.017 0.000 2.213 232 G HA2 -0.281 3.679 3.960 0.000 0.000 0.236 232 G HA3 -0.281 3.679 3.960 0.000 0.000 0.236 232 G C 0.420 175.338 174.900 0.030 0.000 0.991 232 G CA 0.273 45.348 45.100 -0.042 0.000 0.629 232 G HN 0.771 nan 8.290 nan 0.000 0.517 233 S N 1.791 117.541 115.700 0.085 0.000 2.572 233 S HA 0.550 5.020 4.470 0.000 0.000 0.279 233 S C -1.887 172.860 174.600 0.245 0.000 1.341 233 S CA -0.585 57.691 58.200 0.127 0.000 1.043 233 S CB 1.574 64.815 63.200 0.068 0.000 0.887 233 S HN 0.425 nan 8.310 nan 0.000 0.516 234 P HA 0.129 nan 4.420 nan 0.000 0.271 234 P C -0.157 177.151 177.300 0.014 0.000 1.226 234 P CA -0.143 63.038 63.100 0.136 0.000 0.765 234 P CB 0.772 32.511 31.700 0.065 0.000 0.835 235 S N 2.247 117.910 115.700 -0.062 0.000 2.564 235 S HA 0.066 4.536 4.470 0.000 0.000 0.278 235 S C 0.589 175.141 174.600 -0.081 0.000 1.333 235 S CA -0.026 58.138 58.200 -0.061 0.000 1.048 235 S CB -0.013 63.136 63.200 -0.086 0.000 0.900 235 S HN 0.350 nan 8.310 nan 0.000 0.505 236 E N 2.504 122.670 120.200 -0.056 0.000 2.869 236 E HA 0.303 4.653 4.350 0.000 0.000 0.207 236 E C -0.635 175.932 176.600 -0.055 0.000 0.986 236 E CA -0.216 56.148 56.400 -0.060 0.000 1.131 236 E CB -0.042 29.634 29.700 -0.040 0.000 1.098 236 E HN 0.658 nan 8.360 nan 0.000 0.459 237 c N 0.357 118.918 118.600 -0.065 0.000 2.470 237 c HA 0.253 4.824 4.570 0.000 0.000 0.350 237 c C 0.953 175.008 174.090 -0.058 0.000 1.341 237 c CA -0.772 55.529 56.329 -0.047 0.000 2.440 237 c CB 0.289 42.766 42.510 -0.054 0.000 2.295 237 c HN 0.483 nan 8.230 nan 0.000 0.645 238 H N 0.624 119.622 119.070 -0.120 0.000 2.757 238 H HA -0.012 4.544 4.556 0.000 0.000 0.370 238 H C 1.132 176.318 175.328 -0.237 0.000 1.172 238 H CA 0.783 56.740 56.048 -0.151 0.000 1.426 238 H CB 0.456 30.140 29.762 -0.129 0.000 1.438 238 H HN 0.844 nan 8.280 nan 0.000 0.612 239 E N 1.683 121.441 120.200 -0.737 0.000 2.187 239 E HA -0.229 4.121 4.350 0.000 0.000 0.199 239 E C 0.224 176.407 176.600 -0.695 0.000 1.004 239 E CA 1.227 57.215 56.400 -0.687 0.000 0.813 239 E CB 0.061 29.256 29.700 -0.842 0.000 0.736 239 E HN 0.581 nan 8.360 nan 0.000 0.468 240 H N -1.107 117.848 119.070 -0.192 0.000 2.524 240 H HA 0.480 5.036 4.556 0.000 0.000 0.297 240 H C -0.701 174.443 175.328 -0.307 0.000 1.115 240 H CA 0.364 56.104 56.048 -0.514 0.000 1.027 240 H CB 0.565 29.390 29.762 -1.562 0.000 1.591 240 H HN 0.084 nan 8.280 nan 0.000 0.543 241 A N 0.746 123.501 122.820 -0.109 0.000 2.435 241 A HA 0.431 4.751 4.320 0.000 0.000 0.304 241 A C -0.643 176.891 177.584 -0.083 0.000 1.064 241 A CA -0.865 51.130 52.037 -0.070 0.000 0.727 241 A CB 1.922 20.906 19.000 -0.027 0.000 1.284 241 A HN 0.098 nan 8.150 nan 0.000 0.415 242 D N 0.347 120.705 120.400 -0.070 0.000 2.217 242 D HA 0.358 4.999 4.640 0.000 0.000 0.248 242 D C -0.743 175.527 176.300 -0.050 0.000 1.008 242 D CA -0.006 53.956 54.000 -0.064 0.000 0.914 242 D CB 1.942 42.704 40.800 -0.063 0.000 1.182 242 D HN 0.498 nan 8.370 nan 0.000 0.451 243 c N 2.304 120.881 118.600 -0.040 0.000 2.285 243 c HA 0.495 5.065 4.570 0.000 0.000 0.335 243 c C 0.013 174.093 174.090 -0.017 0.000 1.267 243 c CA -0.420 55.894 56.329 -0.026 0.000 1.762 243 c CB -0.895 41.605 42.510 -0.017 0.000 2.365 243 c HN 0.393 nan 8.230 nan 0.000 0.527 244 V N 7.990 127.894 119.914 -0.017 0.000 2.555 244 V HA 0.718 4.838 4.120 0.000 0.000 0.302 244 V C -0.562 175.530 176.094 -0.003 0.000 1.038 244 V CA -0.648 61.645 62.300 -0.012 0.000 0.887 244 V CB 1.609 33.420 31.823 -0.019 0.000 0.991 244 V HN 0.960 nan 8.190 nan 0.000 0.434 245 L N 2.753 123.978 121.223 0.004 0.000 2.307 245 L HA 0.767 5.107 4.340 0.000 0.000 0.284 245 L C 0.082 176.958 176.870 0.010 0.000 1.023 245 L CA -0.535 54.309 54.840 0.008 0.000 0.810 245 L CB 1.709 43.775 42.059 0.011 0.000 1.231 245 L HN 0.711 nan 8.230 nan 0.000 0.423 246 E N 2.819 123.026 120.200 0.012 0.000 2.369 246 E HA 0.180 4.530 4.350 0.000 0.000 0.255 246 E C 0.380 176.993 176.600 0.022 0.000 1.172 246 E CA -0.705 55.705 56.400 0.017 0.000 0.932 246 E CB 0.769 30.479 29.700 0.017 0.000 1.040 246 E HN 0.591 nan 8.360 nan 0.000 0.454 247 R N 1.164 121.681 120.500 0.029 0.000 2.241 247 R HA -0.118 4.223 4.340 0.000 0.000 0.224 247 R C 0.754 177.078 176.300 0.041 0.000 1.101 247 R CA 1.032 57.154 56.100 0.037 0.000 0.995 247 R CB -0.477 29.853 30.300 0.049 0.000 0.870 247 R HN 0.551 nan 8.270 nan 0.000 0.463 248 D N -1.709 118.712 120.400 0.035 0.000 2.358 248 D HA 0.094 4.734 4.640 0.000 0.000 0.224 248 D C 0.976 177.289 176.300 0.022 0.000 1.123 248 D CA 0.434 54.452 54.000 0.031 0.000 0.833 248 D CB -0.138 40.679 40.800 0.029 0.000 0.946 248 D HN 0.148 nan 8.370 nan 0.000 0.505 249 G N 0.525 109.337 108.800 0.021 0.000 2.166 249 G HA2 -0.318 3.642 3.960 0.000 0.000 0.260 249 G HA3 -0.318 3.642 3.960 0.000 0.000 0.260 249 G C 0.469 175.377 174.900 0.014 0.000 0.986 249 G CA 0.747 45.857 45.100 0.016 0.000 0.683 249 G HN 0.810 nan 8.290 nan 0.000 0.527 250 S N -0.374 115.334 115.700 0.014 0.000 2.645 250 S HA 0.834 5.304 4.470 0.000 0.000 0.266 250 S C 0.280 174.885 174.600 0.010 0.000 1.258 250 S CA 0.162 58.368 58.200 0.011 0.000 0.990 250 S CB 1.670 64.876 63.200 0.011 0.000 0.967 250 S HN 1.182 nan 8.310 nan 0.000 0.556 251 R N -0.630 119.874 120.500 0.007 0.000 2.799 251 R HA 0.773 5.113 4.340 0.000 0.000 0.270 251 R C -1.430 174.869 176.300 -0.001 0.000 1.010 251 R CA -0.840 55.263 56.100 0.004 0.000 0.916 251 R CB 1.496 31.800 30.300 0.006 0.000 1.228 251 R HN 0.868 nan 8.270 nan 0.000 0.469 252 S N -0.284 115.412 115.700 -0.007 0.000 2.607 252 S HA 0.601 5.072 4.470 0.000 0.000 0.273 252 S C -0.770 173.818 174.600 -0.020 0.000 1.148 252 S CA -0.880 57.312 58.200 -0.013 0.000 0.833 252 S CB 1.333 64.525 63.200 -0.013 0.000 1.130 252 S HN 0.718 nan 8.310 nan 0.000 0.470 253 c N 2.046 120.631 118.600 -0.024 0.000 2.358 253 c HA 0.893 5.463 4.570 0.000 0.000 0.342 253 c C 0.329 174.395 174.090 -0.040 0.000 1.234 253 c CA -0.540 55.771 56.329 -0.031 0.000 1.969 253 c CB 0.479 42.973 42.510 -0.027 0.000 2.346 253 c HN 0.935 nan 8.230 nan 0.000 0.525 254 V N 1.005 120.889 119.914 -0.048 0.000 2.656 254 V HA 0.594 4.714 4.120 0.000 0.000 0.307 254 V C -0.072 175.987 176.094 -0.059 0.000 1.051 254 V CA -0.563 61.701 62.300 -0.060 0.000 0.893 254 V CB 0.642 32.423 31.823 -0.071 0.000 0.999 254 V HN 0.993 nan 8.190 nan 0.000 0.426 255 c N 4.711 123.279 118.600 -0.053 0.000 2.662 255 c HA 0.649 5.219 4.570 0.000 0.000 0.420 255 c C 1.365 175.445 174.090 -0.016 0.000 1.314 255 c CA 0.561 56.876 56.329 -0.024 0.000 1.963 255 c CB -0.057 42.464 42.510 0.018 0.000 2.686 255 c HN 1.293 nan 8.230 nan 0.000 0.609 256 A N 2.601 125.426 122.820 0.008 0.000 2.287 256 A HA 0.474 4.794 4.320 0.000 0.000 0.273 256 A C 0.230 177.870 177.584 0.093 0.000 1.091 256 A CA -0.298 51.743 52.037 0.006 0.000 0.817 256 A CB 0.205 19.210 19.000 0.009 0.000 1.069 256 A HN 1.160 nan 8.150 nan 0.000 0.492 257 V N 1.583 121.465 119.914 -0.055 0.000 2.625 257 V HA 0.369 4.489 4.120 0.000 0.000 0.305 257 V C 1.341 177.480 176.094 0.075 0.000 1.055 257 V CA 2.173 64.415 62.300 -0.096 0.000 1.209 257 V CB -0.034 31.556 31.823 -0.388 0.000 0.877 257 V HN 2.367 nan 8.190 nan 0.000 0.489 258 G N 4.531 113.319 108.800 -0.021 0.000 2.179 258 G HA2 -0.217 3.743 3.960 0.000 0.000 0.220 258 G HA3 -0.217 3.743 3.960 0.000 0.000 0.220 258 G C -0.419 174.164 174.900 -0.528 0.000 0.990 258 G CA 0.095 45.066 45.100 -0.215 0.000 0.646 258 G HN 0.887 nan 8.290 nan 0.000 0.517 259 W N 0.025 121.255 121.300 -0.117 0.000 3.031 259 W HA 0.831 5.491 4.660 0.000 0.000 0.337 259 W C 0.081 176.518 176.519 -0.138 0.000 1.187 259 W CA -0.214 57.055 57.345 -0.127 0.000 1.166 259 W CB 1.932 31.326 29.460 -0.109 0.000 1.437 259 W HN 0.745 nan 8.180 nan 0.000 0.551 260 A N 0.926 123.802 122.820 0.093 0.000 2.594 260 A HA 0.992 5.312 4.320 0.000 0.000 0.291 260 A C -0.195 177.352 177.584 -0.062 0.000 1.105 260 A CA -0.146 51.865 52.037 -0.042 0.000 0.694 260 A CB 1.423 20.356 19.000 -0.111 0.000 1.291 260 A HN 1.702 nan 8.150 nan 0.000 0.410 261 G N 0.279 109.006 108.800 -0.121 0.000 2.293 261 G HA2 0.400 4.360 3.960 0.000 0.000 0.282 261 G HA3 0.400 4.360 3.960 0.000 0.000 0.282 261 G C -0.726 174.112 174.900 -0.104 0.000 1.299 261 G CA -0.112 44.925 45.100 -0.106 0.000 1.018 261 G HN 1.879 nan 8.290 nan 0.000 0.478 262 N N -0.160 118.495 118.700 -0.075 0.000 2.364 262 N HA 0.499 5.239 4.740 0.000 0.000 0.264 262 N C 1.642 177.120 175.510 -0.053 0.000 1.263 262 N CA 0.643 53.657 53.050 -0.060 0.000 0.959 262 N CB 0.293 38.756 38.487 -0.040 0.000 1.204 262 N HN 1.264 nan 8.380 nan 0.000 0.550 263 G N -0.714 108.062 108.800 -0.040 0.000 2.448 263 G HA2 -0.152 3.808 3.960 0.000 0.000 0.219 263 G HA3 -0.152 3.808 3.960 0.000 0.000 0.219 263 G C 1.136 176.036 174.900 -0.001 0.000 1.127 263 G CA 0.661 45.743 45.100 -0.029 0.000 0.766 263 G HN 0.577 nan 8.290 nan 0.000 0.552 264 I N -0.303 120.269 120.570 0.003 0.000 2.480 264 I HA 0.129 4.299 4.170 0.000 0.000 0.251 264 I C 0.138 176.302 176.117 0.078 0.000 1.124 264 I CA 0.212 61.534 61.300 0.036 0.000 1.444 264 I CB 0.122 38.132 38.000 0.016 0.000 1.098 264 I HN -0.050 nan 8.210 nan 0.000 0.428 265 L N 1.101 122.328 121.223 0.007 0.000 2.287 265 L HA 0.333 4.673 4.340 0.000 0.000 0.287 265 L C -0.980 175.757 176.870 -0.221 0.000 1.022 265 L CA -0.267 54.546 54.840 -0.045 0.000 0.814 265 L CB 0.961 43.011 42.059 -0.014 0.000 1.217 265 L HN 0.130 nan 8.230 nan 0.000 0.420 266 c N 2.760 120.980 118.600 -0.633 0.000 2.364 266 c HA 0.802 5.372 4.570 0.000 0.000 0.324 266 c C 0.718 174.712 174.090 -0.161 0.000 1.234 266 c CA -0.880 55.170 56.329 -0.465 0.000 1.417 266 c CB 1.127 43.304 42.510 -0.556 0.000 2.101 266 c HN 0.945 nan 8.230 nan 0.000 0.466 267 G N 1.694 110.538 108.800 0.073 0.000 2.441 267 G HA2 0.619 4.579 3.960 0.000 0.000 0.334 267 G HA3 0.619 4.579 3.960 0.000 0.000 0.334 267 G C -0.696 174.239 174.900 0.058 0.000 1.161 267 G CA -0.634 44.548 45.100 0.137 0.000 0.935 267 G HN 0.836 nan 8.290 nan 0.000 0.488 268 R N 0.541 120.876 120.500 -0.275 0.000 2.538 268 R HA 0.042 4.382 4.340 0.000 0.000 0.282 268 R C -0.776 175.294 176.300 -0.384 0.000 1.009 268 R CA 0.094 55.758 56.100 -0.727 0.000 1.063 268 R CB 0.394 30.288 30.300 -0.676 0.000 0.945 268 R HN 0.441 nan 8.270 nan 0.000 0.414 269 D N 3.226 123.382 120.400 -0.407 0.000 2.473 269 D HA 0.095 4.735 4.640 0.000 0.000 0.226 269 D C 0.120 176.288 176.300 -0.219 0.000 1.089 269 D CA -0.245 53.621 54.000 -0.223 0.000 0.883 269 D CB 1.444 42.150 40.800 -0.156 0.000 1.029 269 D HN 0.535 nan 8.370 nan 0.000 0.517 270 T N 1.565 116.017 114.554 -0.171 0.000 2.737 270 T HA -0.149 4.201 4.350 0.000 0.000 0.265 270 T C 0.908 175.549 174.700 -0.098 0.000 1.038 270 T CA 1.129 63.141 62.100 -0.147 0.000 1.144 270 T CB 0.026 68.823 68.868 -0.118 0.000 0.866 270 T HN 0.522 nan 8.240 nan 0.000 0.434 271 D N 1.635 121.999 120.400 -0.060 0.000 2.561 271 D HA 0.114 4.754 4.640 0.000 0.000 0.232 271 D C 0.583 176.877 176.300 -0.011 0.000 1.198 271 D CA -0.252 53.740 54.000 -0.014 0.000 0.826 271 D CB -1.166 39.615 40.800 -0.032 0.000 0.992 271 D HN 0.334 nan 8.370 nan 0.000 0.490 272 L N 0.648 121.845 121.223 -0.043 0.000 3.851 272 L HA -0.278 4.062 4.340 0.000 0.000 0.438 272 L C 0.127 176.982 176.870 -0.025 0.000 1.171 272 L CA 1.103 55.919 54.840 -0.040 0.000 0.895 272 L CB -1.137 40.914 42.059 -0.014 0.000 1.800 272 L HN 0.331 nan 8.230 nan 0.000 0.960 273 D N -1.565 118.835 120.400 -0.001 0.000 2.433 273 D HA 0.283 4.924 4.640 0.000 0.000 0.211 273 D C 1.384 177.736 176.300 0.088 0.000 1.114 273 D CA 0.639 54.666 54.000 0.045 0.000 0.837 273 D CB 0.669 41.509 40.800 0.066 0.000 0.984 273 D HN 0.341 nan 8.370 nan 0.000 0.505 274 G N -0.547 108.245 108.800 -0.013 0.000 2.195 274 G HA2 -0.207 3.753 3.960 0.000 0.000 0.246 274 G HA3 -0.207 3.753 3.960 0.000 0.000 0.246 274 G C -0.173 174.459 174.900 -0.447 0.000 0.984 274 G CA -0.072 44.916 45.100 -0.188 0.000 0.633 274 G HN 0.300 nan 8.290 nan 0.000 0.525 275 F N 2.484 122.403 119.950 -0.051 0.000 2.467 275 F HA 0.569 5.096 4.527 0.000 0.000 0.336 275 F C -1.830 173.934 175.800 -0.059 0.000 1.123 275 F CA -2.404 55.568 58.000 -0.047 0.000 0.964 275 F CB 2.445 41.420 39.000 -0.041 0.000 1.136 275 F HN -0.153 nan 8.300 nan 0.000 0.447 276 P HA 0.108 nan 4.420 nan 0.000 0.274 276 P C -0.213 177.093 177.300 0.011 0.000 1.231 276 P CA -0.209 62.891 63.100 0.000 0.000 0.790 276 P CB 1.329 33.022 31.700 -0.012 0.000 0.951 277 D N 0.344 120.722 120.400 -0.037 0.000 2.104 277 D HA -0.123 4.518 4.640 0.000 0.000 0.194 277 D C 0.370 176.660 176.300 -0.016 0.000 0.994 277 D CA 1.792 55.771 54.000 -0.036 0.000 0.830 277 D CB -0.057 40.703 40.800 -0.068 0.000 0.959 277 D HN 0.492 nan 8.370 nan 0.000 0.452 278 E N -0.044 120.149 120.200 -0.012 0.000 2.212 278 E HA 0.200 4.551 4.350 0.000 0.000 0.270 278 E C -0.080 176.529 176.600 0.016 0.000 0.956 278 E CA -0.717 55.685 56.400 0.003 0.000 0.825 278 E CB 1.831 31.533 29.700 0.004 0.000 1.167 278 E HN -0.157 nan 8.360 nan 0.000 0.400 279 K N 1.889 122.301 120.400 0.021 0.000 2.440 279 K HA 0.071 4.391 4.320 0.000 0.000 0.270 279 K C -0.911 175.703 176.600 0.022 0.000 0.980 279 K CA -0.032 56.272 56.287 0.027 0.000 0.953 279 K CB 0.328 32.842 32.500 0.024 0.000 0.925 279 K HN 0.218 nan 8.250 nan 0.000 0.497 280 L N 3.228 124.464 121.223 0.021 0.000 2.354 280 L HA 0.358 4.698 4.340 0.000 0.000 0.264 280 L C 1.137 178.016 176.870 0.016 0.000 1.008 280 L CA -0.360 54.489 54.840 0.016 0.000 0.819 280 L CB 1.585 43.646 42.059 0.003 0.000 1.339 280 L HN 0.674 nan 8.230 nan 0.000 0.420 281 R N 0.166 120.675 120.500 0.016 0.000 2.148 281 R HA 0.010 4.350 4.340 0.000 0.000 0.223 281 R C 0.589 176.896 176.300 0.012 0.000 1.088 281 R CA 0.559 56.668 56.100 0.015 0.000 0.985 281 R CB -0.306 30.005 30.300 0.017 0.000 0.880 281 R HN 0.836 nan 8.270 nan 0.000 0.451 282 c N 0.210 118.815 118.600 0.008 0.000 2.775 282 c HA 0.230 4.800 4.570 0.000 0.000 0.391 282 c C -1.757 172.337 174.090 0.007 0.000 1.295 282 c CA -1.419 54.913 56.329 0.005 0.000 2.119 282 c CB 0.387 42.894 42.510 -0.004 0.000 2.705 282 c HN 0.280 nan 8.230 nan 0.000 0.710 283 P HA 0.268 nan 4.420 nan 0.000 0.253 283 P C -0.482 176.826 177.300 0.014 0.000 1.872 283 P CA 0.354 63.462 63.100 0.012 0.000 1.148 283 P CB 0.072 31.779 31.700 0.012 0.000 1.753 284 E N -0.258 119.947 120.200 0.010 0.000 2.263 284 E HA 0.364 4.714 4.350 0.000 0.000 0.264 284 E C 0.785 177.403 176.600 0.031 0.000 0.923 284 E CA -0.927 55.480 56.400 0.011 0.000 0.802 284 E CB 1.711 31.405 29.700 -0.010 0.000 1.228 284 E HN -0.087 nan 8.360 nan 0.000 0.417 285 R N 0.702 121.236 120.500 0.057 0.000 2.168 285 R HA -0.243 4.098 4.340 0.000 0.000 0.242 285 R C 1.829 178.209 176.300 0.133 0.000 1.123 285 R CA 2.437 58.627 56.100 0.149 0.000 0.928 285 R CB -0.704 29.725 30.300 0.214 0.000 0.873 285 R HN 0.613 nan 8.270 nan 0.000 0.434 286 Q N 0.653 120.392 119.800 -0.102 0.000 2.615 286 Q HA -0.110 4.230 4.340 0.000 0.000 0.220 286 Q C 1.486 177.391 176.000 -0.158 0.000 0.981 286 Q CA 1.110 56.670 55.803 -0.406 0.000 0.939 286 Q CB -0.507 27.941 28.738 -0.484 0.000 0.982 286 Q HN 0.465 nan 8.270 nan 0.000 0.550 287 c N 0.934 119.521 118.600 -0.021 0.000 2.791 287 c HA 0.157 4.727 4.570 0.000 0.000 0.288 287 c C 1.214 175.338 174.090 0.058 0.000 1.271 287 c CA -0.495 55.837 56.329 0.006 0.000 1.726 287 c CB -0.235 42.278 42.510 0.005 0.000 2.145 287 c HN 0.494 nan 8.230 nan 0.000 0.572 288 R N 2.150 122.721 120.500 0.118 0.000 2.531 288 R HA 0.288 4.628 4.340 0.000 0.000 0.273 288 R C -0.108 176.280 176.300 0.146 0.000 1.070 288 R CA -0.301 55.867 56.100 0.112 0.000 1.112 288 R CB 0.705 31.065 30.300 0.101 0.000 1.049 288 R HN 0.273 nan 8.270 nan 0.000 0.508 289 K N 1.927 122.375 120.400 0.080 0.000 2.451 289 K HA -0.094 4.226 4.320 0.000 0.000 0.280 289 K C -0.408 176.227 176.600 0.058 0.000 1.020 289 K CA -0.113 56.212 56.287 0.062 0.000 1.008 289 K CB 0.466 32.980 32.500 0.024 0.000 0.917 289 K HN 0.576 nan 8.250 nan 0.000 0.478 290 D N 3.216 123.663 120.400 0.079 0.000 2.487 290 D HA -0.095 4.545 4.640 0.000 0.000 0.243 290 D C 0.459 176.729 176.300 -0.051 0.000 1.154 290 D CA 0.110 54.125 54.000 0.026 0.000 0.876 290 D CB 0.510 41.353 40.800 0.072 0.000 1.161 290 D HN 0.631 nan 8.370 nan 0.000 0.478 291 N N 2.432 121.063 118.700 -0.116 0.000 2.362 291 N HA -0.003 4.737 4.740 0.000 0.000 0.204 291 N C -0.810 174.648 175.510 -0.086 0.000 1.166 291 N CA -0.365 52.629 53.050 -0.094 0.000 0.831 291 N CB -0.273 38.151 38.487 -0.105 0.000 1.008 291 N HN 0.123 nan 8.380 nan 0.000 0.472 292 c N 0.378 118.926 118.600 -0.086 0.000 3.296 292 c HA 0.258 4.828 4.570 0.000 0.000 0.317 292 c C 1.453 175.502 174.090 -0.069 0.000 1.040 292 c CA -0.890 55.392 56.329 -0.078 0.000 1.352 292 c CB -0.148 42.305 42.510 -0.095 0.000 1.797 292 c HN 0.174 nan 8.230 nan 0.000 0.552 293 V N 2.418 122.300 119.914 -0.054 0.000 2.469 293 V HA -0.178 3.942 4.120 0.000 0.000 0.251 293 V C 2.398 178.461 176.094 -0.053 0.000 1.064 293 V CA 2.964 65.236 62.300 -0.046 0.000 1.066 293 V CB -0.246 31.553 31.823 -0.041 0.000 0.667 293 V HN 0.942 nan 8.190 nan 0.000 0.461 294 T N -3.908 110.610 114.554 -0.059 0.000 2.978 294 T HA 0.170 4.520 4.350 0.000 0.000 0.248 294 T C 0.487 175.123 174.700 -0.107 0.000 1.018 294 T CA 0.049 62.117 62.100 -0.053 0.000 1.026 294 T CB 0.125 68.975 68.868 -0.029 0.000 1.032 294 T HN 0.109 nan 8.240 nan 0.000 0.485 295 V N 4.126 123.947 119.914 -0.156 0.000 2.488 295 V HA 0.384 4.504 4.120 0.000 0.000 0.277 295 V C -2.544 173.392 176.094 -0.264 0.000 1.046 295 V CA -2.215 59.912 62.300 -0.288 0.000 0.986 295 V CB 0.752 32.453 31.823 -0.204 0.000 0.989 295 V HN 0.244 nan 8.190 nan 0.000 0.475 296 P HA 0.165 nan 4.420 nan 0.000 0.271 296 P C -0.451 176.773 177.300 -0.126 0.000 1.233 296 P CA 0.088 63.076 63.100 -0.187 0.000 0.764 296 P CB 0.203 31.797 31.700 -0.177 0.000 0.825 297 N N 1.117 119.773 118.700 -0.074 0.000 2.722 297 N HA 0.009 4.749 4.740 0.000 0.000 0.242 297 N C 0.111 175.588 175.510 -0.056 0.000 1.398 297 N CA -0.518 52.492 53.050 -0.066 0.000 0.755 297 N CB -0.045 38.383 38.487 -0.099 0.000 1.268 297 N HN 0.118 nan 8.380 nan 0.000 0.522 298 S N -0.695 115.025 115.700 0.034 0.000 2.469 298 S HA -0.045 4.426 4.470 0.000 0.000 0.238 298 S C 1.769 176.412 174.600 0.071 0.000 0.998 298 S CA 0.991 59.275 58.200 0.140 0.000 0.957 298 S CB -0.371 62.925 63.200 0.160 0.000 0.764 298 S HN 0.543 nan 8.310 nan 0.000 0.514 299 G N 0.404 109.200 108.800 -0.007 0.000 2.511 299 G HA2 -0.019 3.941 3.960 0.000 0.000 0.217 299 G HA3 -0.019 3.941 3.960 0.000 0.000 0.217 299 G C 0.709 175.529 174.900 -0.134 0.000 1.133 299 G CA 0.397 45.482 45.100 -0.025 0.000 0.792 299 G HN 0.388 nan 8.290 nan 0.000 0.539 300 Q N -0.591 119.060 119.800 -0.248 0.000 2.315 300 Q HA -0.211 4.130 4.340 0.000 0.000 0.221 300 Q C 0.005 175.889 176.000 -0.192 0.000 0.780 300 Q CA 1.339 56.933 55.803 -0.348 0.000 1.357 300 Q CB -1.543 26.797 28.738 -0.663 0.000 1.766 300 Q HN 0.738 nan 8.270 nan 0.000 0.613 301 E N 1.374 121.506 120.200 -0.114 0.000 2.975 301 E HA 0.018 4.369 4.350 0.000 0.000 0.269 301 E C 0.158 176.719 176.600 -0.065 0.000 0.905 301 E CA 1.066 57.426 56.400 -0.067 0.000 0.967 301 E CB 0.211 29.890 29.700 -0.034 0.000 0.925 301 E HN 0.114 nan 8.360 nan 0.000 0.507 302 D N 3.001 123.371 120.400 -0.049 0.000 2.445 302 D HA 0.088 4.728 4.640 0.000 0.000 0.236 302 D C 0.110 176.394 176.300 -0.025 0.000 1.315 302 D CA -0.307 53.668 54.000 -0.041 0.000 0.924 302 D CB 0.273 41.042 40.800 -0.053 0.000 1.447 302 D HN 0.168 nan 8.370 nan 0.000 0.532 303 V N 2.000 121.905 119.914 -0.015 0.000 2.237 303 V HA -0.200 3.920 4.120 0.000 0.000 0.245 303 V C 1.890 177.980 176.094 -0.006 0.000 1.046 303 V CA 2.253 64.549 62.300 -0.007 0.000 1.007 303 V CB -0.435 31.389 31.823 0.002 0.000 0.638 303 V HN 0.639 nan 8.190 nan 0.000 0.445 304 D N 1.350 121.746 120.400 -0.006 0.000 2.352 304 D HA -0.149 4.491 4.640 0.000 0.000 0.232 304 D C 0.890 177.185 176.300 -0.008 0.000 1.055 304 D CA -0.135 53.863 54.000 -0.004 0.000 0.891 304 D CB -0.750 40.049 40.800 -0.003 0.000 0.897 304 D HN 0.630 nan 8.370 nan 0.000 0.529 305 R N 0.744 121.236 120.500 -0.013 0.000 2.879 305 R HA -0.197 4.144 4.340 0.000 0.000 0.241 305 R C -0.792 175.500 176.300 -0.014 0.000 0.845 305 R CA 1.162 57.253 56.100 -0.015 0.000 0.599 305 R CB -2.837 27.456 30.300 -0.012 0.000 1.213 305 R HN 0.474 nan 8.270 nan 0.000 0.510 306 D N -0.625 119.765 120.400 -0.017 0.000 2.479 306 D HA 0.166 4.807 4.640 0.000 0.000 0.218 306 D C 1.215 177.503 176.300 -0.019 0.000 1.177 306 D CA 0.197 54.188 54.000 -0.015 0.000 0.830 306 D CB 0.264 41.057 40.800 -0.013 0.000 1.014 306 D HN 0.580 nan 8.370 nan 0.000 0.503 307 G N 1.050 109.835 108.800 -0.025 0.000 2.253 307 G HA2 -0.268 3.692 3.960 0.000 0.000 0.251 307 G HA3 -0.268 3.692 3.960 0.000 0.000 0.251 307 G C 0.234 175.112 174.900 -0.037 0.000 0.998 307 G CA 0.290 45.372 45.100 -0.030 0.000 0.621 307 G HN 0.436 nan 8.290 nan 0.000 0.524 308 I N 2.460 123.010 120.570 -0.033 0.000 2.342 308 I HA 0.479 4.649 4.170 0.000 0.000 0.291 308 I C 1.372 177.462 176.117 -0.046 0.000 1.010 308 I CA -0.234 61.043 61.300 -0.038 0.000 1.308 308 I CB 1.139 39.121 38.000 -0.030 0.000 1.400 308 I HN 0.166 nan 8.210 nan 0.000 0.488 309 G N 3.727 112.491 108.800 -0.060 0.000 2.441 309 G HA2 0.003 3.963 3.960 0.000 0.000 0.243 309 G HA3 0.003 3.963 3.960 0.000 0.000 0.243 309 G C 0.549 175.418 174.900 -0.052 0.000 1.281 309 G CA -0.328 44.730 45.100 -0.071 0.000 0.854 309 G HN 0.683 nan 8.290 nan 0.000 0.560 310 D N 1.841 122.215 120.400 -0.044 0.000 2.203 310 D HA -0.193 4.448 4.640 0.000 0.000 0.199 310 D C 2.559 178.843 176.300 -0.028 0.000 0.997 310 D CA 1.699 55.684 54.000 -0.026 0.000 0.863 310 D CB -0.128 40.663 40.800 -0.015 0.000 0.928 310 D HN 0.474 nan 8.370 nan 0.000 0.458 311 A N -0.157 122.637 122.820 -0.044 0.000 2.216 311 A HA -0.026 4.294 4.320 0.000 0.000 0.214 311 A C 1.746 179.298 177.584 -0.054 0.000 1.160 311 A CA 1.273 53.280 52.037 -0.051 0.000 0.725 311 A CB -0.336 18.619 19.000 -0.074 0.000 0.784 311 A HN 0.506 nan 8.150 nan 0.000 0.472 312 c N -2.839 115.733 118.600 -0.048 0.000 3.843 312 c HA 0.343 4.913 4.570 0.000 0.000 0.305 312 c C -0.380 173.690 174.090 -0.033 0.000 2.482 312 c CA -0.631 55.672 56.329 -0.044 0.000 1.563 312 c CB -1.095 41.382 42.510 -0.055 0.000 3.238 312 c HN 0.367 nan 8.230 nan 0.000 0.423 313 D N 2.232 122.615 120.400 -0.028 0.000 2.359 313 D HA 0.390 5.031 4.640 0.000 0.000 0.230 313 D C -1.234 175.058 176.300 -0.014 0.000 1.118 313 D CA -1.745 52.242 54.000 -0.021 0.000 0.844 313 D CB 1.923 42.711 40.800 -0.020 0.000 1.059 313 D HN 0.026 nan 8.370 nan 0.000 0.493 314 P HA -0.157 nan 4.420 nan 0.000 0.219 314 P C -0.191 177.106 177.300 -0.004 0.000 1.153 314 P CA 1.323 64.417 63.100 -0.009 0.000 0.865 314 P CB 0.275 31.970 31.700 -0.009 0.000 0.788 315 D N -2.607 117.791 120.400 -0.003 0.000 2.400 315 D HA 0.372 5.013 4.640 0.000 0.000 0.272 315 D C 0.939 177.241 176.300 0.003 0.000 1.220 315 D CA -0.503 53.498 54.000 0.002 0.000 0.897 315 D CB 0.167 40.968 40.800 0.002 0.000 1.134 315 D HN -0.139 nan 8.370 nan 0.000 0.507 316 A N 2.787 125.611 122.820 0.006 0.000 1.948 316 A HA -0.204 4.117 4.320 0.000 0.000 0.220 316 A C 1.507 179.095 177.584 0.007 0.000 1.177 316 A CA 2.085 54.125 52.037 0.006 0.000 0.636 316 A CB -0.126 18.882 19.000 0.014 0.000 0.815 316 A HN 0.563 nan 8.150 nan 0.000 0.449 317 D N -2.495 117.913 120.400 0.013 0.000 2.398 317 D HA 0.292 4.933 4.640 0.000 0.000 0.210 317 D C 0.937 177.243 176.300 0.010 0.000 1.094 317 D CA 0.508 54.516 54.000 0.014 0.000 0.839 317 D CB -0.956 39.857 40.800 0.023 0.000 0.963 317 D HN 0.822 nan 8.370 nan 0.000 0.506 318 G N 2.290 111.095 108.800 0.007 0.000 2.325 318 G HA2 -0.219 3.742 3.960 0.000 0.000 0.274 318 G HA3 -0.219 3.742 3.960 0.000 0.000 0.274 318 G C 0.147 175.052 174.900 0.007 0.000 0.921 318 G CA 0.588 45.690 45.100 0.005 0.000 1.340 318 G HN 0.586 nan 8.290 nan 0.000 0.447 319 D N -0.578 119.828 120.400 0.009 0.000 2.562 319 D HA 0.365 5.005 4.640 0.000 0.000 0.246 319 D C 1.523 177.829 176.300 0.009 0.000 1.347 319 D CA 0.776 54.782 54.000 0.011 0.000 0.800 319 D CB -0.222 40.588 40.800 0.016 0.000 1.111 319 D HN 1.583 nan 8.370 nan 0.000 0.508 320 G N 0.221 109.026 108.800 0.007 0.000 2.345 320 G HA2 -0.257 3.703 3.960 0.000 0.000 0.218 320 G HA3 -0.257 3.703 3.960 0.000 0.000 0.218 320 G C 0.127 175.030 174.900 0.005 0.000 1.058 320 G CA 0.062 45.165 45.100 0.005 0.000 0.632 320 G HN 0.408 nan 8.290 nan 0.000 0.508 321 V N 4.651 124.570 119.914 0.008 0.000 2.389 321 V HA 0.423 4.543 4.120 0.000 0.000 0.264 321 V C -1.317 174.781 176.094 0.007 0.000 1.049 321 V CA -1.322 60.982 62.300 0.007 0.000 0.932 321 V CB 0.959 32.789 31.823 0.011 0.000 1.011 321 V HN 0.338 nan 8.190 nan 0.000 0.475 322 P HA 0.044 nan 4.420 nan 0.000 0.267 322 P C 0.493 177.795 177.300 0.003 0.000 1.201 322 P CA 0.038 63.139 63.100 0.001 0.000 0.775 322 P CB 0.771 32.469 31.700 -0.003 0.000 0.854 323 N N 2.356 121.059 118.700 0.004 0.000 2.036 323 N HA -0.204 4.536 4.740 0.000 0.000 0.195 323 N C 1.350 176.860 175.510 0.001 0.000 1.037 323 N CA 1.753 54.809 53.050 0.009 0.000 0.855 323 N CB -0.759 37.735 38.487 0.010 0.000 1.033 323 N HN 0.546 nan 8.380 nan 0.000 0.423 324 E N 0.636 120.831 120.200 -0.008 0.000 2.267 324 E HA -0.091 4.259 4.350 0.000 0.000 0.197 324 E C 1.063 177.649 176.600 -0.024 0.000 0.998 324 E CA 1.113 57.503 56.400 -0.018 0.000 0.830 324 E CB -0.109 29.581 29.700 -0.017 0.000 0.751 324 E HN 0.395 nan 8.360 nan 0.000 0.491 325 K N 0.063 120.453 120.400 -0.016 0.000 2.373 325 K HA 0.090 4.411 4.320 0.000 0.000 0.202 325 K C -0.277 176.316 176.600 -0.012 0.000 1.025 325 K CA -0.103 56.174 56.287 -0.018 0.000 1.115 325 K CB 0.618 33.110 32.500 -0.013 0.000 0.858 325 K HN -0.044 nan 8.250 nan 0.000 0.525 326 D N 1.322 121.719 120.400 -0.005 0.000 2.373 326 D HA 0.009 4.649 4.640 0.000 0.000 0.227 326 D C 0.489 176.797 176.300 0.013 0.000 1.091 326 D CA -0.368 53.639 54.000 0.012 0.000 0.840 326 D CB 0.807 41.623 40.800 0.028 0.000 1.060 326 D HN 0.068 nan 8.370 nan 0.000 0.502 327 N N 2.109 120.816 118.700 0.011 0.000 2.573 327 N HA -0.103 4.638 4.740 0.000 0.000 0.187 327 N C -0.243 175.341 175.510 0.124 0.000 1.107 327 N CA 0.268 53.321 53.050 0.006 0.000 0.918 327 N CB -0.161 38.325 38.487 -0.001 0.000 0.966 327 N HN 0.122 nan 8.380 nan 0.000 0.448 328 c N 0.422 119.111 118.600 0.148 0.000 3.287 328 c HA 0.361 4.931 4.570 0.000 0.000 0.260 328 c C -1.839 172.341 174.090 0.150 0.000 1.133 328 c CA -0.998 55.461 56.329 0.217 0.000 1.402 328 c CB 1.283 43.888 42.510 0.158 0.000 1.832 328 c HN 0.163 nan 8.230 nan 0.000 0.509 329 P HA 0.002 nan 4.420 nan 0.000 0.225 329 P C 0.960 178.309 177.300 0.080 0.000 1.148 329 P CA 1.327 64.489 63.100 0.104 0.000 0.779 329 P CB 0.249 32.016 31.700 0.112 0.000 0.780 330 L N -2.541 118.735 121.223 0.088 0.000 2.781 330 L HA 0.173 4.513 4.340 0.000 0.000 0.245 330 L C 0.642 177.535 176.870 0.039 0.000 1.118 330 L CA -0.170 54.702 54.840 0.054 0.000 0.918 330 L CB 0.648 42.736 42.059 0.048 0.000 1.246 330 L HN -0.198 nan 8.230 nan 0.000 0.526 331 V N -0.619 119.324 119.914 0.048 0.000 2.513 331 V HA 0.499 4.619 4.120 0.000 0.000 0.299 331 V C -0.052 176.066 176.094 0.040 0.000 1.035 331 V CA -0.792 61.529 62.300 0.035 0.000 0.889 331 V CB 1.507 33.348 31.823 0.031 0.000 0.988 331 V HN 0.300 nan 8.190 nan 0.000 0.440 332 R N 3.744 124.261 120.500 0.029 0.000 2.438 332 R HA 0.494 4.835 4.340 0.000 0.000 0.287 332 R C -0.799 175.518 176.300 0.029 0.000 1.077 332 R CA -0.170 55.946 56.100 0.027 0.000 1.034 332 R CB 0.233 30.544 30.300 0.019 0.000 0.993 332 R HN 0.968 nan 8.270 nan 0.000 0.459 333 N N 1.978 120.696 118.700 0.030 0.000 3.111 333 N HA 0.098 4.839 4.740 0.000 0.000 0.200 333 N C -2.859 172.667 175.510 0.025 0.000 1.464 333 N CA -1.599 51.469 53.050 0.030 0.000 0.758 333 N CB 1.362 39.873 38.487 0.040 0.000 1.548 333 N HN 0.212 nan 8.380 nan 0.000 0.595 334 P HA -0.136 nan 4.420 nan 0.000 0.216 334 P C 1.147 178.456 177.300 0.015 0.000 1.150 334 P CA 1.317 64.426 63.100 0.015 0.000 0.837 334 P CB 0.191 31.898 31.700 0.012 0.000 0.786 335 D N -0.132 120.278 120.400 0.016 0.000 2.357 335 D HA -0.238 4.402 4.640 0.000 0.000 0.216 335 D C 0.617 176.928 176.300 0.018 0.000 0.973 335 D CA 0.771 54.780 54.000 0.016 0.000 0.912 335 D CB -0.918 39.892 40.800 0.016 0.000 0.900 335 D HN 0.131 nan 8.370 nan 0.000 0.501 336 Q N -0.532 119.281 119.800 0.022 0.000 2.397 336 Q HA -0.281 4.060 4.340 0.000 0.000 0.253 336 Q C 0.044 176.060 176.000 0.026 0.000 1.026 336 Q CA 0.919 56.737 55.803 0.024 0.000 1.066 336 Q CB -1.958 26.789 28.738 0.016 0.000 1.553 336 Q HN 0.583 nan 8.270 nan 0.000 0.538 337 R N 1.629 122.145 120.500 0.027 0.000 2.566 337 R HA 0.013 4.353 4.340 0.000 0.000 0.273 337 R C 0.263 176.586 176.300 0.038 0.000 0.981 337 R CA 0.852 56.969 56.100 0.028 0.000 1.091 337 R CB 0.320 30.637 30.300 0.028 0.000 0.924 337 R HN 0.135 nan 8.270 nan 0.000 0.411 338 N N 1.820 120.540 118.700 0.033 0.000 2.839 338 N HA -0.007 4.733 4.740 0.000 0.000 0.230 338 N C -0.099 175.431 175.510 0.034 0.000 1.388 338 N CA 0.028 53.103 53.050 0.041 0.000 0.747 338 N CB 0.827 39.334 38.487 0.034 0.000 1.411 338 N HN 0.675 nan 8.380 nan 0.000 0.556 339 T N -1.828 112.748 114.554 0.038 0.000 2.951 339 T HA -0.111 4.239 4.350 0.000 0.000 0.268 339 T C 0.969 175.687 174.700 0.029 0.000 1.073 339 T CA 1.568 63.686 62.100 0.030 0.000 1.134 339 T CB -0.057 68.829 68.868 0.029 0.000 0.884 339 T HN 0.395 nan 8.240 nan 0.000 0.479 340 D N 0.903 121.326 120.400 0.037 0.000 2.367 340 D HA 0.030 4.670 4.640 0.000 0.000 0.207 340 D C 0.663 176.980 176.300 0.028 0.000 1.034 340 D CA 0.136 54.157 54.000 0.035 0.000 0.861 340 D CB -0.549 40.279 40.800 0.046 0.000 0.943 340 D HN 0.639 nan 8.370 nan 0.000 0.515 341 E N 0.493 120.707 120.200 0.024 0.000 2.957 341 E HA -0.162 4.188 4.350 0.000 0.000 0.287 341 E C -0.882 175.716 176.600 -0.004 0.000 0.976 341 E CA 0.768 57.172 56.400 0.006 0.000 0.907 341 E CB -1.588 28.113 29.700 0.001 0.000 1.456 341 E HN 0.684 nan 8.360 nan 0.000 0.421 342 D N -0.099 120.309 120.400 0.014 0.000 2.433 342 D HA 0.179 4.819 4.640 0.000 0.000 0.255 342 D C 0.966 177.199 176.300 -0.112 0.000 1.226 342 D CA -0.469 53.527 54.000 -0.007 0.000 1.015 342 D CB 0.578 41.421 40.800 0.073 0.000 1.091 342 D HN -0.108 nan 8.370 nan 0.000 0.527 343 K N -1.090 119.152 120.400 -0.264 0.000 2.144 343 K HA -0.150 4.171 4.320 0.000 0.000 0.209 343 K C -0.055 176.083 176.600 -0.770 0.000 1.047 343 K CA 1.298 57.205 56.287 -0.633 0.000 0.927 343 K CB -0.149 31.759 32.500 -0.986 0.000 0.716 343 K HN 0.474 nan 8.250 nan 0.000 0.454 344 W N 0.784 122.097 121.300 0.022 0.000 2.433 344 W HA 0.366 5.026 4.660 0.000 0.000 0.315 344 W C 0.675 177.205 176.519 0.018 0.000 1.087 344 W CA -1.180 56.177 57.345 0.021 0.000 1.205 344 W CB 0.777 30.253 29.460 0.025 0.000 1.288 344 W HN -0.013 nan 8.180 nan 0.000 0.504 345 G N 1.707 110.653 108.800 0.243 0.000 2.614 345 G HA2 -0.087 3.873 3.960 0.000 0.000 0.239 345 G HA3 -0.087 3.873 3.960 0.000 0.000 0.239 345 G C 0.464 175.456 174.900 0.153 0.000 1.240 345 G CA -0.241 44.949 45.100 0.151 0.000 0.842 345 G HN 0.557 nan 8.290 nan 0.000 0.584 346 D N 1.091 121.550 120.400 0.098 0.000 2.133 346 D HA -0.146 4.494 4.640 0.000 0.000 0.195 346 D C 2.642 178.983 176.300 0.069 0.000 0.997 346 D CA 1.699 55.745 54.000 0.078 0.000 0.840 346 D CB -0.272 40.560 40.800 0.054 0.000 0.947 346 D HN 0.454 nan 8.370 nan 0.000 0.452 347 A N -0.127 122.733 122.820 0.067 0.000 2.272 347 A HA -0.050 4.270 4.320 0.000 0.000 0.213 347 A C 1.373 178.986 177.584 0.047 0.000 1.183 347 A CA 1.270 53.337 52.037 0.052 0.000 0.719 347 A CB -0.689 18.342 19.000 0.051 0.000 0.771 347 A HN 0.519 nan 8.150 nan 0.000 0.484 348 c N -2.592 116.043 118.600 0.060 0.000 3.647 348 c HA 0.420 4.990 4.570 0.000 0.000 0.349 348 c C -0.931 173.148 174.090 -0.019 0.000 2.699 348 c CA -0.731 55.606 56.329 0.013 0.000 1.459 348 c CB -1.075 41.448 42.510 0.023 0.000 2.643 348 c HN 0.363 nan 8.230 nan 0.000 0.467 349 D N 2.144 122.559 120.400 0.026 0.000 2.492 349 D HA 0.314 4.954 4.640 0.000 0.000 0.248 349 D C 0.672 176.973 176.300 0.002 0.000 1.101 349 D CA -0.011 54.008 54.000 0.033 0.000 0.840 349 D CB 1.422 42.309 40.800 0.145 0.000 1.209 349 D HN 0.494 nan 8.370 nan 0.000 0.524 350 N N 1.948 120.627 118.700 -0.036 0.000 2.449 350 N HA 0.002 4.742 4.740 0.000 0.000 0.191 350 N C -0.514 174.998 175.510 0.004 0.000 1.161 350 N CA -0.104 52.931 53.050 -0.024 0.000 0.863 350 N CB -0.179 38.279 38.487 -0.047 0.000 0.980 350 N HN 0.093 nan 8.380 nan 0.000 0.458 351 c N 0.878 119.493 118.600 0.026 0.000 2.789 351 c HA 0.374 4.944 4.570 0.000 0.000 0.324 351 c C 1.508 175.628 174.090 0.050 0.000 1.042 351 c CA -1.140 55.212 56.329 0.037 0.000 1.396 351 c CB 0.377 42.914 42.510 0.044 0.000 1.870 351 c HN 0.521 nan 8.230 nan 0.000 0.470 352 R N 1.720 122.245 120.500 0.040 0.000 2.070 352 R HA -0.070 4.270 4.340 0.000 0.000 0.232 352 R C 1.136 177.465 176.300 0.048 0.000 1.138 352 R CA 2.204 58.331 56.100 0.046 0.000 0.936 352 R CB 0.041 30.362 30.300 0.035 0.000 0.839 352 R HN 0.590 nan 8.270 nan 0.000 0.429 353 S N -0.237 115.487 115.700 0.039 0.000 2.506 353 S HA 0.173 4.643 4.470 0.000 0.000 0.245 353 S C -0.778 173.845 174.600 0.037 0.000 1.088 353 S CA -0.467 57.754 58.200 0.036 0.000 1.099 353 S CB 0.819 64.036 63.200 0.028 0.000 0.805 353 S HN 0.313 nan 8.310 nan 0.000 0.461 354 Q N 1.859 121.688 119.800 0.047 0.000 2.275 354 Q HA 0.294 4.634 4.340 0.000 0.000 0.258 354 Q C -1.312 174.726 176.000 0.064 0.000 0.960 354 Q CA -0.286 55.545 55.803 0.048 0.000 0.801 354 Q CB 0.928 29.692 28.738 0.043 0.000 1.302 354 Q HN 0.107 nan 8.270 nan 0.000 0.433 355 K N 2.981 123.418 120.400 0.061 0.000 2.448 355 K HA 0.268 4.589 4.320 0.000 0.000 0.278 355 K C -0.470 176.185 176.600 0.091 0.000 1.009 355 K CA 0.176 56.508 56.287 0.076 0.000 0.995 355 K CB 0.326 32.858 32.500 0.054 0.000 0.917 355 K HN 0.745 nan 8.250 nan 0.000 0.481 356 N N 2.094 120.874 118.700 0.134 0.000 3.211 356 N HA 0.007 4.748 4.740 0.000 0.000 0.183 356 N C -1.162 174.483 175.510 0.225 0.000 1.447 356 N CA -0.303 52.831 53.050 0.141 0.000 0.840 356 N CB 0.027 38.578 38.487 0.107 0.000 1.611 356 N HN 0.351 nan 8.380 nan 0.000 0.610 357 D N 0.465 121.003 120.400 0.229 0.000 2.178 357 D HA -0.176 4.465 4.640 0.000 0.000 0.201 357 D C 1.464 178.037 176.300 0.455 0.000 0.980 357 D CA 1.622 55.840 54.000 0.363 0.000 0.842 357 D CB 0.176 41.072 40.800 0.159 0.000 0.948 357 D HN 0.697 nan 8.370 nan 0.000 0.472 358 D N 0.176 120.731 120.400 0.258 0.000 2.348 358 D HA -0.184 4.456 4.640 0.000 0.000 0.216 358 D C 0.275 176.661 176.300 0.144 0.000 0.970 358 D CA 0.439 54.565 54.000 0.209 0.000 0.889 358 D CB -0.092 40.799 40.800 0.151 0.000 0.912 358 D HN 0.058 nan 8.370 nan 0.000 0.524 359 Q N 0.186 120.054 119.800 0.113 0.000 2.461 359 Q HA -0.193 4.147 4.340 0.000 0.000 0.273 359 Q C -0.371 175.628 176.000 -0.003 0.000 1.163 359 Q CA 0.688 56.492 55.803 0.001 0.000 0.929 359 Q CB -1.953 26.676 28.738 -0.183 0.000 1.334 359 Q HN 0.556 nan 8.270 nan 0.000 0.499 360 K N 1.532 121.950 120.400 0.030 0.000 2.453 360 K HA -0.041 4.280 4.320 0.000 0.000 0.280 360 K C 0.054 176.657 176.600 0.005 0.000 1.045 360 K CA 0.395 56.694 56.287 0.019 0.000 1.059 360 K CB 0.340 32.855 32.500 0.026 0.000 0.901 360 K HN 0.003 nan 8.250 nan 0.000 0.475 361 D N 3.436 123.835 120.400 -0.002 0.000 2.517 361 D HA 0.025 4.665 4.640 0.000 0.000 0.301 361 D C 1.031 177.328 176.300 -0.005 0.000 1.202 361 D CA -0.275 53.721 54.000 -0.006 0.000 0.910 361 D CB 0.622 41.415 40.800 -0.013 0.000 1.021 361 D HN 0.652 nan 8.370 nan 0.000 0.499 362 T N -0.862 113.687 114.554 -0.007 0.000 2.737 362 T HA -0.248 4.102 4.350 0.000 0.000 0.269 362 T C 1.016 175.707 174.700 -0.015 0.000 1.040 362 T CA 1.386 63.477 62.100 -0.015 0.000 1.142 362 T CB -0.065 68.790 68.868 -0.022 0.000 0.861 362 T HN 0.329 nan 8.240 nan 0.000 0.456 363 D N 0.201 120.593 120.400 -0.013 0.000 2.491 363 D HA 0.110 4.750 4.640 0.000 0.000 0.228 363 D C 0.492 176.787 176.300 -0.008 0.000 1.183 363 D CA -0.319 53.673 54.000 -0.012 0.000 0.827 363 D CB -0.377 40.416 40.800 -0.012 0.000 0.989 363 D HN 0.197 nan 8.370 nan 0.000 0.494 364 Q N 0.968 120.764 119.800 -0.006 0.000 2.411 364 Q HA -0.200 4.141 4.340 0.000 0.000 0.305 364 Q C 0.178 176.176 176.000 -0.004 0.000 1.273 364 Q CA 1.233 57.034 55.803 -0.003 0.000 0.895 364 Q CB -1.420 27.319 28.738 0.001 0.000 1.198 364 Q HN 0.703 nan 8.270 nan 0.000 0.470 365 D N -3.966 116.431 120.400 -0.006 0.000 2.423 365 D HA 0.268 4.908 4.640 0.000 0.000 0.208 365 D C 1.424 177.720 176.300 -0.006 0.000 1.068 365 D CA 1.030 55.026 54.000 -0.005 0.000 0.860 365 D CB 0.062 40.859 40.800 -0.005 0.000 0.992 365 D HN 0.397 nan 8.370 nan 0.000 0.504 366 G N 0.865 109.660 108.800 -0.009 0.000 2.799 366 G HA2 -0.223 3.737 3.960 0.000 0.000 0.200 366 G HA3 -0.223 3.737 3.960 0.000 0.000 0.200 366 G C 0.130 175.024 174.900 -0.010 0.000 1.206 366 G CA -0.367 44.726 45.100 -0.011 0.000 0.827 366 G HN 0.290 nan 8.290 nan 0.000 0.511 367 R N 2.226 122.723 120.500 -0.005 0.000 2.399 367 R HA 0.435 4.775 4.340 0.000 0.000 0.324 367 R C 1.272 177.571 176.300 -0.002 0.000 1.030 367 R CA 0.319 56.419 56.100 -0.001 0.000 0.984 367 R CB 0.403 30.704 30.300 0.002 0.000 0.961 367 R HN 0.512 nan 8.270 nan 0.000 0.433 368 G N 2.060 110.859 108.800 -0.002 0.000 2.771 368 G HA2 -0.162 3.798 3.960 0.000 0.000 0.242 368 G HA3 -0.162 3.798 3.960 0.000 0.000 0.242 368 G C 0.351 175.255 174.900 0.008 0.000 1.233 368 G CA -0.464 44.636 45.100 0.001 0.000 0.858 368 G HN 0.549 nan 8.290 nan 0.000 0.591 369 D N 0.797 121.203 120.400 0.011 0.000 2.117 369 D HA -0.111 4.530 4.640 0.000 0.000 0.197 369 D C 2.673 178.983 176.300 0.017 0.000 0.987 369 D CA 1.576 55.583 54.000 0.012 0.000 0.829 369 D CB -0.470 40.337 40.800 0.013 0.000 0.961 369 D HN 0.444 nan 8.370 nan 0.000 0.460 370 A N -0.448 122.387 122.820 0.024 0.000 2.272 370 A HA -0.136 4.184 4.320 0.000 0.000 0.213 370 A C 1.961 179.559 177.584 0.024 0.000 1.183 370 A CA 0.928 52.982 52.037 0.028 0.000 0.719 370 A CB -0.476 18.547 19.000 0.038 0.000 0.771 370 A HN 0.363 nan 8.150 nan 0.000 0.484 371 c N -1.635 116.976 118.600 0.019 0.000 3.545 371 c HA 0.221 4.791 4.570 0.000 0.000 0.368 371 c C 0.381 174.478 174.090 0.011 0.000 1.400 371 c CA -0.571 55.768 56.329 0.016 0.000 1.848 371 c CB -0.275 42.244 42.510 0.015 0.000 2.576 371 c HN 0.534 nan 8.230 nan 0.000 0.683 372 D N 1.768 122.174 120.400 0.009 0.000 2.280 372 D HA 0.187 4.828 4.640 0.000 0.000 0.243 372 D C 0.200 176.502 176.300 0.005 0.000 1.129 372 D CA 0.165 54.168 54.000 0.005 0.000 0.848 372 D CB 0.956 41.758 40.800 0.003 0.000 1.107 372 D HN 0.372 nan 8.370 nan 0.000 0.471 373 D N 1.359 121.761 120.400 0.004 0.000 2.363 373 D HA -0.013 4.627 4.640 0.000 0.000 0.226 373 D C -0.128 176.173 176.300 0.000 0.000 1.020 373 D CA 0.047 54.048 54.000 0.003 0.000 0.892 373 D CB 0.163 40.965 40.800 0.003 0.000 0.900 373 D HN 0.184 nan 8.370 nan 0.000 0.531 374 D N 0.075 120.475 120.400 -0.001 0.000 2.752 374 D HA 0.030 4.670 4.640 0.000 0.000 0.242 374 D C 0.831 177.128 176.300 -0.005 0.000 1.295 374 D CA -0.542 53.455 54.000 -0.004 0.000 0.846 374 D CB -0.059 40.738 40.800 -0.004 0.000 1.454 374 D HN 0.121 nan 8.370 nan 0.000 0.535 375 I N 0.468 121.035 120.570 -0.005 0.000 2.394 375 I HA -0.040 4.130 4.170 0.000 0.000 0.251 375 I C 0.981 177.092 176.117 -0.011 0.000 1.136 375 I CA 1.567 62.863 61.300 -0.006 0.000 1.425 375 I CB 0.281 38.279 38.000 -0.003 0.000 1.079 375 I HN 0.061 nan 8.210 nan 0.000 0.425 376 D N 0.341 120.732 120.400 -0.014 0.000 2.369 376 D HA 0.180 4.820 4.640 0.000 0.000 0.211 376 D C 1.685 177.974 176.300 -0.018 0.000 1.077 376 D CA 0.388 54.376 54.000 -0.020 0.000 0.842 376 D CB -0.023 40.762 40.800 -0.026 0.000 0.947 376 D HN 0.474 nan 8.370 nan 0.000 0.509 377 G N 1.798 110.590 108.800 -0.013 0.000 2.153 377 G HA2 -0.321 3.639 3.960 0.000 0.000 0.252 377 G HA3 -0.321 3.639 3.960 0.000 0.000 0.252 377 G C 0.300 175.193 174.900 -0.012 0.000 0.994 377 G CA 0.466 45.559 45.100 -0.011 0.000 0.698 377 G HN 0.578 nan 8.290 nan 0.000 0.521 378 D N -0.677 119.715 120.400 -0.013 0.000 2.413 378 D HA 0.283 4.924 4.640 0.000 0.000 0.237 378 D C 1.393 177.687 176.300 -0.010 0.000 1.171 378 D CA -0.275 53.717 54.000 -0.013 0.000 0.839 378 D CB -0.307 40.483 40.800 -0.016 0.000 0.950 378 D HN 0.561 nan 8.370 nan 0.000 0.499 379 R N -1.842 118.653 120.500 -0.008 0.000 4.024 379 R HA -0.231 4.109 4.340 0.000 0.000 0.372 379 R C -0.462 175.834 176.300 -0.006 0.000 1.192 379 R CA 0.871 56.967 56.100 -0.007 0.000 1.183 379 R CB -1.861 28.436 30.300 -0.006 0.000 1.672 379 R HN 0.329 nan 8.270 nan 0.000 0.571 380 I N 0.915 121.481 120.570 -0.007 0.000 2.336 380 I HA 0.157 4.327 4.170 0.000 0.000 0.292 380 I C 1.094 177.207 176.117 -0.006 0.000 0.991 380 I CA -0.345 60.951 61.300 -0.007 0.000 1.227 380 I CB 1.192 39.187 38.000 -0.008 0.000 1.366 380 I HN 0.041 nan 8.210 nan 0.000 0.466 381 R N 4.108 124.605 120.500 -0.004 0.000 2.756 381 R HA 0.000 4.340 4.340 0.000 0.000 0.264 381 R C 0.976 177.275 176.300 -0.003 0.000 1.026 381 R CA -0.087 56.011 56.100 -0.003 0.000 1.121 381 R CB 0.468 30.768 30.300 -0.001 0.000 0.999 381 R HN 0.616 nan 8.270 nan 0.000 0.449 382 N N 1.907 120.606 118.700 -0.002 0.000 2.084 382 N HA -0.169 4.571 4.740 0.000 0.000 0.190 382 N C 1.362 176.871 175.510 -0.001 0.000 1.030 382 N CA 1.619 54.668 53.050 -0.002 0.000 0.849 382 N CB -0.091 38.396 38.487 -0.000 0.000 1.012 382 N HN 0.514 nan 8.380 nan 0.000 0.423 383 Q N 0.069 119.869 119.800 0.000 0.000 2.435 383 Q HA 0.215 4.555 4.340 0.000 0.000 0.207 383 Q C 0.786 176.786 176.000 -0.000 0.000 0.956 383 Q CA 0.792 56.595 55.803 0.001 0.000 0.917 383 Q CB 0.193 28.932 28.738 0.003 0.000 0.997 383 Q HN 0.301 nan 8.270 nan 0.000 0.497 384 A N 0.468 123.287 122.820 -0.001 0.000 2.708 384 A HA 0.158 4.479 4.320 0.000 0.000 0.293 384 A C -0.470 177.111 177.584 -0.004 0.000 1.303 384 A CA -0.364 51.671 52.037 -0.002 0.000 0.949 384 A CB 0.245 19.244 19.000 -0.002 0.000 1.121 384 A HN 0.049 nan 8.150 nan 0.000 0.542 385 D N 0.494 120.891 120.400 -0.005 0.000 2.620 385 D HA 0.111 4.751 4.640 0.000 0.000 0.252 385 D C -0.158 176.137 176.300 -0.009 0.000 1.207 385 D CA -0.443 53.553 54.000 -0.008 0.000 0.884 385 D CB 0.923 41.718 40.800 -0.009 0.000 1.262 385 D HN 0.192 nan 8.370 nan 0.000 0.552 386 N N 2.226 120.920 118.700 -0.010 0.000 2.413 386 N HA 0.014 4.754 4.740 0.000 0.000 0.207 386 N C -0.408 175.092 175.510 -0.017 0.000 1.206 386 N CA -0.190 52.853 53.050 -0.011 0.000 0.832 386 N CB -0.404 38.077 38.487 -0.010 0.000 1.037 386 N HN 0.171 nan 8.380 nan 0.000 0.467 387 c N 0.210 118.798 118.600 -0.019 0.000 2.808 387 c HA 0.244 4.814 4.570 0.000 0.000 0.236 387 c C -1.952 172.123 174.090 -0.026 0.000 1.021 387 c CA -0.779 55.534 56.329 -0.027 0.000 0.966 387 c CB 0.969 43.460 42.510 -0.032 0.000 1.763 387 c HN 0.206 nan 8.230 nan 0.000 0.687 388 P HA -0.030 nan 4.420 nan 0.000 0.226 388 P C 1.223 178.512 177.300 -0.018 0.000 1.153 388 P CA 1.283 64.374 63.100 -0.015 0.000 0.777 388 P CB 0.151 31.846 31.700 -0.009 0.000 0.794 389 R N -1.281 119.204 120.500 -0.025 0.000 2.316 389 R HA 0.221 4.561 4.340 0.000 0.000 0.201 389 R C -0.035 176.239 176.300 -0.043 0.000 0.888 389 R CA 0.155 56.237 56.100 -0.031 0.000 1.041 389 R CB 0.637 30.919 30.300 -0.030 0.000 1.115 389 R HN 0.024 nan 8.270 nan 0.000 0.559 390 V N 4.878 124.763 119.914 -0.049 0.000 2.347 390 V HA 0.249 4.369 4.120 0.000 0.000 0.280 390 V C -2.210 173.856 176.094 -0.045 0.000 1.021 390 V CA -2.372 59.893 62.300 -0.058 0.000 0.847 390 V CB 1.589 33.369 31.823 -0.072 0.000 0.990 390 V HN -0.006 nan 8.190 nan 0.000 0.444 391 P HA 0.121 nan 4.420 nan 0.000 0.266 391 P C -0.516 176.766 177.300 -0.030 0.000 1.195 391 P CA 0.221 63.302 63.100 -0.032 0.000 0.768 391 P CB 0.417 32.098 31.700 -0.031 0.000 0.838 392 N N 0.297 118.982 118.700 -0.024 0.000 3.409 392 N HA -0.021 4.719 4.740 0.000 0.000 0.169 392 N C -0.160 175.340 175.510 -0.017 0.000 1.443 392 N CA -0.415 52.622 53.050 -0.022 0.000 0.933 392 N CB -0.741 37.732 38.487 -0.024 0.000 1.669 392 N HN 0.100 nan 8.380 nan 0.000 0.640 393 S N -0.007 115.684 115.700 -0.015 0.000 2.500 393 S HA -0.155 4.315 4.470 0.000 0.000 0.239 393 S C 1.245 175.838 174.600 -0.011 0.000 0.989 393 S CA 1.288 59.481 58.200 -0.012 0.000 0.951 393 S CB -0.145 63.048 63.200 -0.011 0.000 0.759 393 S HN 0.724 nan 8.310 nan 0.000 0.523 394 D N 0.743 121.137 120.400 -0.011 0.000 2.333 394 D HA -0.103 4.537 4.640 0.000 0.000 0.208 394 D C 0.464 176.758 176.300 -0.010 0.000 0.984 394 D CA 0.217 54.211 54.000 -0.010 0.000 0.873 394 D CB -0.474 40.320 40.800 -0.010 0.000 0.935 394 D HN 0.160 nan 8.370 nan 0.000 0.521 395 Q N 0.171 119.964 119.800 -0.012 0.000 2.461 395 Q HA -0.177 4.163 4.340 0.000 0.000 0.273 395 Q C -0.333 175.661 176.000 -0.011 0.000 1.163 395 Q CA 0.701 56.497 55.803 -0.012 0.000 0.929 395 Q CB -1.525 27.208 28.738 -0.010 0.000 1.334 395 Q HN 0.507 nan 8.270 nan 0.000 0.499 396 K N 1.605 121.999 120.400 -0.011 0.000 2.412 396 K HA 0.024 4.344 4.320 0.000 0.000 0.284 396 K C -0.131 176.462 176.600 -0.011 0.000 1.046 396 K CA 0.217 56.498 56.287 -0.010 0.000 0.999 396 K CB 0.349 32.843 32.500 -0.010 0.000 0.941 396 K HN 0.026 nan 8.250 nan 0.000 0.474 397 D N 2.161 122.556 120.400 -0.009 0.000 2.446 397 D HA 0.104 4.744 4.640 0.000 0.000 0.251 397 D C -0.495 175.801 176.300 -0.006 0.000 1.137 397 D CA -0.349 53.646 54.000 -0.008 0.000 0.890 397 D CB 0.843 41.639 40.800 -0.007 0.000 1.071 397 D HN 0.173 nan 8.370 nan 0.000 0.528 398 S N 2.751 118.447 115.700 -0.007 0.000 2.859 398 S HA 0.124 4.594 4.470 0.000 0.000 0.245 398 S C 0.161 174.758 174.600 -0.004 0.000 1.008 398 S CA 0.045 58.242 58.200 -0.005 0.000 1.089 398 S CB -0.285 62.912 63.200 -0.005 0.000 0.798 398 S HN 0.711 nan 8.310 nan 0.000 0.477 399 D N -3.064 117.334 120.400 -0.003 0.000 2.559 399 D HA 0.140 4.780 4.640 0.000 0.000 0.431 399 D C 0.927 177.226 176.300 -0.002 0.000 1.221 399 D CA 0.297 54.296 54.000 -0.002 0.000 1.007 399 D CB -0.867 39.932 40.800 -0.002 0.000 1.539 399 D HN 0.151 nan 8.370 nan 0.000 0.407 400 G N 1.616 110.415 108.800 -0.002 0.000 2.168 400 G HA2 -0.372 3.588 3.960 0.000 0.000 0.263 400 G HA3 -0.372 3.588 3.960 0.000 0.000 0.263 400 G C 0.785 175.685 174.900 -0.001 0.000 0.977 400 G CA 0.786 45.885 45.100 -0.002 0.000 0.659 400 G HN 0.621 nan 8.290 nan 0.000 0.533 401 D N 0.124 120.524 120.400 -0.001 0.000 2.392 401 D HA 0.266 4.906 4.640 0.000 0.000 0.228 401 D C 1.971 178.272 176.300 0.000 0.000 1.003 401 D CA 1.275 55.276 54.000 0.001 0.000 0.917 401 D CB -0.782 40.019 40.800 0.001 0.000 0.890 401 D HN 1.676 nan 8.370 nan 0.000 0.532 402 G N -0.004 108.795 108.800 -0.001 0.000 2.268 402 G HA2 -0.242 3.718 3.960 0.000 0.000 0.240 402 G HA3 -0.242 3.718 3.960 0.000 0.000 0.240 402 G C 0.154 175.052 174.900 -0.004 0.000 1.010 402 G CA 0.209 45.308 45.100 -0.002 0.000 0.618 402 G HN 0.373 nan 8.290 nan 0.000 0.516 403 I N 2.783 123.350 120.570 -0.005 0.000 2.312 403 I HA 0.472 4.643 4.170 0.000 0.000 0.291 403 I C 1.371 177.480 176.117 -0.013 0.000 1.031 403 I CA -0.109 61.185 61.300 -0.009 0.000 1.293 403 I CB 0.428 38.423 38.000 -0.009 0.000 1.403 403 I HN 0.178 nan 8.210 nan 0.000 0.484 404 G N 4.413 113.203 108.800 -0.016 0.000 2.491 404 G HA2 0.068 4.028 3.960 0.000 0.000 0.242 404 G HA3 0.068 4.028 3.960 0.000 0.000 0.242 404 G C 0.637 175.523 174.900 -0.022 0.000 1.266 404 G CA -0.321 44.769 45.100 -0.018 0.000 0.844 404 G HN 0.631 nan 8.290 nan 0.000 0.571 405 D N 1.813 122.202 120.400 -0.020 0.000 2.149 405 D HA -0.167 4.473 4.640 0.000 0.000 0.198 405 D C 2.605 178.887 176.300 -0.029 0.000 0.990 405 D CA 1.584 55.572 54.000 -0.021 0.000 0.839 405 D CB -0.260 40.530 40.800 -0.016 0.000 0.948 405 D HN 0.469 nan 8.370 nan 0.000 0.460 406 A N 0.116 122.917 122.820 -0.032 0.000 2.272 406 A HA -0.080 4.240 4.320 0.000 0.000 0.213 406 A C 1.770 179.320 177.584 -0.057 0.000 1.183 406 A CA 1.427 53.439 52.037 -0.041 0.000 0.719 406 A CB -0.560 18.417 19.000 -0.039 0.000 0.771 406 A HN 0.524 nan 8.150 nan 0.000 0.484 407 c N -3.116 115.449 118.600 -0.058 0.000 3.903 407 c HA 0.315 4.885 4.570 0.000 0.000 0.320 407 c C -0.450 173.596 174.090 -0.074 0.000 2.651 407 c CA -0.568 55.713 56.329 -0.080 0.000 1.535 407 c CB -1.247 41.217 42.510 -0.077 0.000 3.119 407 c HN 0.360 nan 8.230 nan 0.000 0.398 408 D N 2.784 123.153 120.400 -0.053 0.000 2.249 408 D HA 0.235 4.876 4.640 0.000 0.000 0.246 408 D C 1.204 177.480 176.300 -0.040 0.000 1.114 408 D CA 0.186 54.163 54.000 -0.039 0.000 0.854 408 D CB 1.107 41.893 40.800 -0.023 0.000 1.132 408 D HN 0.533 nan 8.370 nan 0.000 0.461 409 N N 2.365 121.044 118.700 -0.034 0.000 2.609 409 N HA -0.104 4.637 4.740 0.000 0.000 0.190 409 N C -0.288 175.230 175.510 0.012 0.000 1.157 409 N CA 0.198 53.240 53.050 -0.013 0.000 0.918 409 N CB -0.258 38.244 38.487 0.025 0.000 0.978 409 N HN 0.149 nan 8.380 nan 0.000 0.448 410 c N 0.289 118.891 118.600 0.003 0.000 3.392 410 c HA 0.337 4.907 4.570 0.000 0.000 0.217 410 c C -1.998 172.093 174.090 0.001 0.000 1.222 410 c CA -0.900 55.434 56.329 0.008 0.000 1.200 410 c CB 1.061 43.578 42.510 0.012 0.000 1.818 410 c HN 0.161 nan 8.230 nan 0.000 0.586 411 P HA -0.072 nan 4.420 nan 0.000 0.236 411 P C 1.314 178.612 177.300 -0.003 0.000 1.172 411 P CA 1.360 64.456 63.100 -0.005 0.000 0.759 411 P CB 0.356 32.051 31.700 -0.008 0.000 0.843 412 Q N -0.879 118.921 119.800 0.000 0.000 2.390 412 Q HA 0.181 4.521 4.340 0.000 0.000 0.216 412 Q C 0.478 176.479 176.000 0.001 0.000 0.916 412 Q CA 1.034 56.837 55.803 0.001 0.000 0.911 412 Q CB 0.332 29.071 28.738 0.002 0.000 1.035 412 Q HN 0.167 nan 8.270 nan 0.000 0.541 413 K N 0.121 120.523 120.400 0.002 0.000 2.270 413 K HA 0.446 4.766 4.320 0.000 0.000 0.255 413 K C -0.689 175.913 176.600 0.003 0.000 0.936 413 K CA -0.451 55.838 56.287 0.003 0.000 0.809 413 K CB 1.991 34.493 32.500 0.004 0.000 1.131 413 K HN -0.149 nan 8.250 nan 0.000 0.427 414 S N 3.318 119.020 115.700 0.002 0.000 2.589 414 S HA -0.031 4.439 4.470 0.000 0.000 0.306 414 S C 0.161 174.764 174.600 0.005 0.000 1.221 414 S CA -0.168 58.034 58.200 0.003 0.000 1.159 414 S CB -0.479 62.722 63.200 0.003 0.000 0.990 414 S HN 0.578 nan 8.310 nan 0.000 0.514 415 N N 3.854 122.558 118.700 0.006 0.000 2.723 415 N HA 0.212 4.952 4.740 0.000 0.000 0.290 415 N C -2.946 172.570 175.510 0.010 0.000 1.882 415 N CA -1.522 51.533 53.050 0.009 0.000 0.851 415 N CB 1.037 39.530 38.487 0.011 0.000 1.234 415 N HN 0.181 nan 8.380 nan 0.000 0.491 416 P HA -0.181 nan 4.420 nan 0.000 0.216 416 P C 1.167 178.476 177.300 0.014 0.000 1.153 416 P CA 1.500 64.606 63.100 0.009 0.000 0.858 416 P CB 0.165 31.869 31.700 0.008 0.000 0.789 417 D N -1.128 119.281 120.400 0.016 0.000 2.263 417 D HA -0.202 4.438 4.640 0.000 0.000 0.208 417 D C 0.426 176.744 176.300 0.029 0.000 0.971 417 D CA 0.771 54.784 54.000 0.022 0.000 0.867 417 D CB -0.666 40.145 40.800 0.020 0.000 0.929 417 D HN 0.134 nan 8.370 nan 0.000 0.492 418 Q N -0.554 119.262 119.800 0.027 0.000 2.502 418 Q HA -0.161 4.179 4.340 0.000 0.000 0.273 418 Q C -0.086 175.942 176.000 0.045 0.000 1.127 418 Q CA 0.853 56.678 55.803 0.036 0.000 0.952 418 Q CB -2.429 26.334 28.738 0.041 0.000 1.333 418 Q HN 0.610 nan 8.270 nan 0.000 0.494 419 A N 1.508 124.346 122.820 0.029 0.000 2.546 419 A HA 0.222 4.542 4.320 0.000 0.000 0.243 419 A C 0.573 178.157 177.584 -0.001 0.000 1.063 419 A CA 1.131 53.177 52.037 0.015 0.000 0.757 419 A CB 0.132 19.134 19.000 0.003 0.000 0.991 419 A HN 0.302 nan 8.150 nan 0.000 0.503 420 D N 2.304 122.678 120.400 -0.043 0.000 3.256 420 D HA 0.200 4.840 4.640 0.000 0.000 0.332 420 D C 0.723 176.821 176.300 -0.336 0.000 1.327 420 D CA -0.211 53.737 54.000 -0.086 0.000 0.735 420 D CB -0.265 40.568 40.800 0.054 0.000 1.280 420 D HN 0.114 nan 8.370 nan 0.000 0.572 421 V N 0.991 120.749 119.914 -0.259 0.000 2.257 421 V HA -0.368 3.752 4.120 0.000 0.000 0.257 421 V C 1.955 177.764 176.094 -0.475 0.000 1.077 421 V CA 2.705 64.821 62.300 -0.306 0.000 1.063 421 V CB -0.478 31.264 31.823 -0.135 0.000 0.664 421 V HN 0.608 nan 8.190 nan 0.000 0.450 422 D N -1.914 118.292 120.400 -0.324 0.000 2.347 422 D HA -0.054 4.586 4.640 0.000 0.000 0.213 422 D C 0.682 176.896 176.300 -0.143 0.000 0.985 422 D CA 0.367 54.250 54.000 -0.195 0.000 0.879 422 D CB -0.793 39.945 40.800 -0.102 0.000 0.919 422 D HN 0.742 nan 8.370 nan 0.000 0.526 423 H N 0.070 119.111 119.070 -0.048 0.000 2.756 423 H HA -0.119 4.438 4.556 0.000 0.000 0.315 423 H C -0.210 174.989 175.328 -0.216 0.000 1.210 423 H CA 0.683 56.658 56.048 -0.120 0.000 1.150 423 H CB -1.695 27.995 29.762 -0.120 0.000 1.463 423 H HN 0.370 nan 8.280 nan 0.000 0.427 424 D N -0.692 119.667 120.400 -0.069 0.000 2.369 424 D HA -0.006 4.634 4.640 0.000 0.000 0.211 424 D C 0.379 176.726 176.300 0.079 0.000 1.077 424 D CA -0.442 53.521 54.000 -0.061 0.000 0.842 424 D CB 0.062 40.841 40.800 -0.034 0.000 0.947 424 D HN 0.316 nan 8.370 nan 0.000 0.509 425 F N -0.208 119.779 119.950 0.062 0.000 2.999 425 F HA -0.185 4.342 4.527 0.000 0.000 0.291 425 F C -0.645 175.178 175.800 0.039 0.000 0.824 425 F CA -0.122 57.915 58.000 0.062 0.000 1.255 425 F CB -1.892 37.156 39.000 0.080 0.000 1.333 425 F HN -0.039 nan 8.300 nan 0.000 0.502 426 V N -0.169 119.863 119.914 0.195 0.000 2.443 426 V HA 0.717 4.837 4.120 0.000 0.000 0.293 426 V C 0.908 177.046 176.094 0.074 0.000 1.021 426 V CA -0.528 61.838 62.300 0.110 0.000 0.848 426 V CB 1.474 33.343 31.823 0.076 0.000 0.998 426 V HN 0.429 nan 8.190 nan 0.000 0.424 427 G N 2.889 111.727 108.800 0.063 0.000 2.732 427 G HA2 0.119 4.080 3.960 0.000 0.000 0.244 427 G HA3 0.119 4.080 3.960 0.000 0.000 0.244 427 G C 0.567 175.474 174.900 0.013 0.000 1.226 427 G CA -0.107 45.015 45.100 0.037 0.000 0.860 427 G HN 0.718 nan 8.290 nan 0.000 0.583 428 D N 0.739 121.138 120.400 -0.001 0.000 2.097 428 D HA -0.128 4.512 4.640 0.000 0.000 0.195 428 D C 2.646 178.944 176.300 -0.004 0.000 0.989 428 D CA 1.711 55.705 54.000 -0.011 0.000 0.827 428 D CB -0.510 40.279 40.800 -0.017 0.000 0.966 428 D HN 0.424 nan 8.370 nan 0.000 0.456 429 A N -0.161 122.660 122.820 0.001 0.000 2.225 429 A HA -0.106 4.214 4.320 0.000 0.000 0.215 429 A C 2.240 179.827 177.584 0.005 0.000 1.164 429 A CA 0.811 52.849 52.037 0.002 0.000 0.710 429 A CB -0.568 18.435 19.000 0.004 0.000 0.780 429 A HN 0.322 nan 8.150 nan 0.000 0.473 430 c N -1.154 117.451 118.600 0.008 0.000 2.543 430 c HA 0.115 4.686 4.570 0.000 0.000 0.289 430 c C 0.979 175.075 174.090 0.010 0.000 1.368 430 c CA -0.277 56.059 56.329 0.012 0.000 1.778 430 c CB -0.661 41.862 42.510 0.021 0.000 2.155 430 c HN 0.574 nan 8.230 nan 0.000 0.529 431 D N 1.165 121.569 120.400 0.008 0.000 2.487 431 D HA 0.021 4.662 4.640 0.000 0.000 0.243 431 D C 1.032 177.330 176.300 -0.003 0.000 1.154 431 D CA 0.546 54.548 54.000 0.003 0.000 0.876 431 D CB 0.889 41.685 40.800 -0.007 0.000 1.161 431 D HN 0.511 nan 8.370 nan 0.000 0.478 432 S N 1.580 117.280 115.700 -0.001 0.000 2.520 432 S HA 0.008 4.478 4.470 0.000 0.000 0.219 432 S C 0.352 174.945 174.600 -0.010 0.000 1.028 432 S CA -0.238 57.959 58.200 -0.004 0.000 0.921 432 S CB 0.319 63.519 63.200 0.001 0.000 0.844 432 S HN 0.486 nan 8.310 nan 0.000 0.495 433 D N 2.055 122.448 120.400 -0.013 0.000 2.701 433 D HA -0.108 4.532 4.640 0.000 0.000 0.235 433 D C -0.798 175.491 176.300 -0.018 0.000 1.155 433 D CA 0.971 54.958 54.000 -0.022 0.000 0.649 433 D CB -1.010 39.771 40.800 -0.032 0.000 1.050 433 D HN 0.578 nan 8.370 nan 0.000 0.425 434 Q N 0.623 120.418 119.800 -0.008 0.000 2.341 434 Q HA 0.454 4.794 4.340 0.000 0.000 0.268 434 Q C -0.545 175.456 176.000 0.003 0.000 1.013 434 Q CA -0.380 55.420 55.803 -0.005 0.000 0.798 434 Q CB 2.219 30.957 28.738 -0.000 0.000 1.253 434 Q HN 0.126 nan 8.270 nan 0.000 0.457 435 D N 1.969 122.369 120.400 0.000 0.000 2.411 435 D HA 0.075 4.716 4.640 0.000 0.000 0.239 435 D C 0.470 176.775 176.300 0.009 0.000 1.307 435 D CA -0.157 53.849 54.000 0.010 0.000 0.930 435 D CB 0.754 41.556 40.800 0.003 0.000 1.395 435 D HN 0.406 nan 8.370 nan 0.000 0.536 436 Q N 1.427 121.236 119.800 0.014 0.000 2.172 436 Q HA -0.033 4.307 4.340 0.000 0.000 0.200 436 Q C 0.761 176.770 176.000 0.016 0.000 0.964 436 Q CA 1.248 57.057 55.803 0.011 0.000 0.855 436 Q CB -0.015 28.729 28.738 0.010 0.000 0.918 436 Q HN 0.363 nan 8.270 nan 0.000 0.444 437 D N -0.068 120.346 120.400 0.024 0.000 2.349 437 D HA 0.082 4.722 4.640 0.000 0.000 0.215 437 D C 1.168 177.488 176.300 0.033 0.000 1.016 437 D CA 0.641 54.658 54.000 0.029 0.000 0.870 437 D CB -0.075 40.746 40.800 0.034 0.000 0.917 437 D HN 0.395 nan 8.370 nan 0.000 0.524 438 G N 2.014 110.828 108.800 0.024 0.000 2.153 438 G HA2 -0.322 3.638 3.960 0.000 0.000 0.252 438 G HA3 -0.322 3.638 3.960 0.000 0.000 0.252 438 G C 0.467 175.383 174.900 0.027 0.000 0.994 438 G CA 0.547 45.656 45.100 0.015 0.000 0.698 438 G HN 0.566 nan 8.290 nan 0.000 0.521 439 D N -0.021 120.409 120.400 0.049 0.000 2.323 439 D HA 0.351 4.991 4.640 0.000 0.000 0.239 439 D C 1.739 178.045 176.300 0.010 0.000 1.129 439 D CA 0.350 54.395 54.000 0.075 0.000 0.865 439 D CB -0.752 40.126 40.800 0.130 0.000 0.913 439 D HN 1.546 nan 8.370 nan 0.000 0.517 440 G N 0.254 109.020 108.800 -0.056 0.000 2.155 440 G HA2 -0.263 3.698 3.960 0.000 0.000 0.257 440 G HA3 -0.263 3.698 3.960 0.000 0.000 0.257 440 G C -0.183 174.544 174.900 -0.289 0.000 0.983 440 G CA 0.164 45.160 45.100 -0.174 0.000 0.676 440 G HN 0.601 nan 8.290 nan 0.000 0.528 441 H N -0.106 118.971 119.070 0.011 0.000 2.539 441 H HA 0.439 4.995 4.556 0.000 0.000 0.332 441 H C 0.564 175.896 175.328 0.006 0.000 1.031 441 H CA -0.653 55.404 56.048 0.014 0.000 1.206 441 H CB 1.490 31.261 29.762 0.015 0.000 1.446 441 H HN 0.432 nan 8.280 nan 0.000 0.496 442 Q N 1.884 121.753 119.800 0.114 0.000 2.342 442 Q HA -0.124 4.217 4.340 0.000 0.000 0.330 442 Q C 0.356 176.396 176.000 0.068 0.000 1.117 442 Q CA 0.444 56.288 55.803 0.068 0.000 1.010 442 Q CB 0.631 29.405 28.738 0.060 0.000 1.204 442 Q HN 0.522 nan 8.270 nan 0.000 0.400 443 D N 1.010 121.434 120.400 0.040 0.000 2.092 443 D HA -0.153 4.487 4.640 0.000 0.000 0.193 443 D C 1.510 177.824 176.300 0.022 0.000 0.994 443 D CA 2.003 56.021 54.000 0.028 0.000 0.828 443 D CB -0.274 40.536 40.800 0.017 0.000 0.963 443 D HN 0.609 nan 8.370 nan 0.000 0.450 444 S N -0.301 115.412 115.700 0.021 0.000 2.441 444 S HA -0.186 4.285 4.470 0.000 0.000 0.242 444 S C 1.672 176.282 174.600 0.017 0.000 1.018 444 S CA 1.032 59.241 58.200 0.016 0.000 0.988 444 S CB -0.011 63.199 63.200 0.017 0.000 0.778 444 S HN 0.222 nan 8.310 nan 0.000 0.498 445 R N 0.321 120.838 120.500 0.029 0.000 2.569 445 R HA 0.142 4.482 4.340 0.000 0.000 0.422 445 R C -1.215 175.090 176.300 0.007 0.000 0.980 445 R CA 0.000 56.118 56.100 0.029 0.000 1.164 445 R CB 0.567 30.904 30.300 0.063 0.000 1.520 445 R HN 0.089 nan 8.270 nan 0.000 0.567 446 D N 1.038 121.436 120.400 -0.005 0.000 2.454 446 D HA -0.016 4.625 4.640 0.000 0.000 0.225 446 D C 0.349 176.602 176.300 -0.079 0.000 1.081 446 D CA -0.401 53.566 54.000 -0.056 0.000 0.864 446 D CB 0.792 41.609 40.800 0.028 0.000 1.040 446 D HN 0.144 nan 8.370 nan 0.000 0.517 447 N N 2.906 121.528 118.700 -0.129 0.000 2.734 447 N HA -0.143 4.598 4.740 0.000 0.000 0.201 447 N C -0.320 175.149 175.510 -0.068 0.000 1.458 447 N CA 0.014 53.008 53.050 -0.094 0.000 0.931 447 N CB -0.663 37.756 38.487 -0.112 0.000 1.119 447 N HN 0.218 nan 8.380 nan 0.000 0.454 448 c N -0.660 117.908 118.600 -0.053 0.000 2.253 448 c HA 0.265 4.835 4.570 0.000 0.000 0.309 448 c C -2.042 172.040 174.090 -0.012 0.000 0.756 448 c CA -0.848 55.462 56.329 -0.031 0.000 0.694 448 c CB -0.343 42.145 42.510 -0.036 0.000 1.457 448 c HN 0.098 nan 8.230 nan 0.000 0.754 449 P HA -0.090 nan 4.420 nan 0.000 0.217 449 P C 1.292 178.601 177.300 0.015 0.000 1.148 449 P CA 2.124 65.229 63.100 0.009 0.000 0.828 449 P CB 0.191 31.895 31.700 0.007 0.000 0.783 450 T N -3.087 111.472 114.554 0.010 0.000 3.040 450 T HA 0.163 4.513 4.350 0.000 0.000 0.250 450 T C 0.573 175.281 174.700 0.013 0.000 1.058 450 T CA 0.035 62.142 62.100 0.012 0.000 0.988 450 T CB 0.081 68.954 68.868 0.008 0.000 0.993 450 T HN -0.165 nan 8.240 nan 0.000 0.519 451 V N 3.467 123.387 119.914 0.011 0.000 2.417 451 V HA 0.354 4.474 4.120 0.000 0.000 0.291 451 V C -2.675 173.431 176.094 0.021 0.000 1.024 451 V CA -2.714 59.593 62.300 0.011 0.000 0.861 451 V CB 1.541 33.366 31.823 0.004 0.000 0.985 451 V HN 0.008 nan 8.190 nan 0.000 0.436 452 P HA 0.110 nan 4.420 nan 0.000 0.261 452 P C -0.365 176.960 177.300 0.041 0.000 1.203 452 P CA 0.285 63.411 63.100 0.043 0.000 0.767 452 P CB 0.077 31.799 31.700 0.036 0.000 0.785 453 N N 1.287 120.023 118.700 0.061 0.000 2.697 453 N HA 0.053 4.793 4.740 0.000 0.000 0.253 453 N C -0.024 175.537 175.510 0.085 0.000 1.604 453 N CA -0.424 52.652 53.050 0.043 0.000 0.772 453 N CB 0.004 38.491 38.487 0.000 0.000 1.267 453 N HN -0.050 nan 8.380 nan 0.000 0.510 454 S N 0.286 116.073 115.700 0.145 0.000 2.419 454 S HA -0.080 4.390 4.470 0.000 0.000 0.233 454 S C 1.885 176.607 174.600 0.204 0.000 1.016 454 S CA 1.231 59.581 58.200 0.249 0.000 0.974 454 S CB 0.030 63.342 63.200 0.186 0.000 0.786 454 S HN 0.713 nan 8.310 nan 0.000 0.492 455 A N 0.363 123.222 122.820 0.066 0.000 2.066 455 A HA -0.000 4.320 4.320 0.000 0.000 0.218 455 A C 0.964 178.517 177.584 -0.051 0.000 1.157 455 A CA 0.703 52.723 52.037 -0.028 0.000 0.670 455 A CB -0.178 18.762 19.000 -0.100 0.000 0.804 455 A HN 0.343 nan 8.150 nan 0.000 0.453 456 Q N -1.082 118.681 119.800 -0.062 0.000 2.503 456 Q HA -0.169 4.171 4.340 0.000 0.000 0.267 456 Q C -0.940 174.990 176.000 -0.117 0.000 1.030 456 Q CA 1.223 56.948 55.803 -0.130 0.000 1.041 456 Q CB -2.096 26.509 28.738 -0.221 0.000 1.406 456 Q HN 0.905 nan 8.270 nan 0.000 0.524 457 E N 1.028 121.174 120.200 -0.091 0.000 2.398 457 E HA 0.365 4.715 4.350 0.000 0.000 0.263 457 E C 0.206 176.752 176.600 -0.089 0.000 1.046 457 E CA -0.012 56.335 56.400 -0.089 0.000 0.908 457 E CB 0.558 30.220 29.700 -0.063 0.000 0.963 457 E HN 0.088 nan 8.360 nan 0.000 0.431 458 D N 0.827 121.162 120.400 -0.108 0.000 2.752 458 D HA 0.141 4.781 4.640 0.000 0.000 0.242 458 D C -0.257 175.984 176.300 -0.098 0.000 1.295 458 D CA -0.194 53.743 54.000 -0.104 0.000 0.846 458 D CB 0.045 40.756 40.800 -0.149 0.000 1.454 458 D HN 0.212 nan 8.370 nan 0.000 0.535 459 S N 1.149 116.847 115.700 -0.002 0.000 2.359 459 S HA -0.196 4.274 4.470 0.000 0.000 0.224 459 S C 1.334 176.063 174.600 0.214 0.000 1.035 459 S CA 1.890 60.137 58.200 0.078 0.000 1.018 459 S CB -0.046 63.201 63.200 0.078 0.000 0.876 459 S HN 0.692 nan 8.310 nan 0.000 0.448 460 D N -0.489 120.012 120.400 0.168 0.000 2.269 460 D HA -0.067 4.573 4.640 0.000 0.000 0.208 460 D C 0.245 176.748 176.300 0.338 0.000 0.963 460 D CA 0.919 55.035 54.000 0.194 0.000 0.864 460 D CB -0.544 40.309 40.800 0.089 0.000 0.936 460 D HN 0.505 nan 8.370 nan 0.000 0.505 461 H N -1.167 117.898 119.070 -0.009 0.000 3.270 461 H HA -0.119 4.438 4.556 0.000 0.000 0.215 461 H C -0.062 175.258 175.328 -0.012 0.000 1.133 461 H CA 0.477 56.518 56.048 -0.012 0.000 1.150 461 H CB -2.419 27.336 29.762 -0.012 0.000 1.166 461 H HN 0.428 nan 8.280 nan 0.000 0.315 462 D N 0.264 120.716 120.400 0.087 0.000 2.346 462 D HA 0.209 4.850 4.640 0.000 0.000 0.248 462 D C 1.881 178.191 176.300 0.018 0.000 1.173 462 D CA 0.974 55.002 54.000 0.045 0.000 0.878 462 D CB -0.619 40.202 40.800 0.035 0.000 0.919 462 D HN 0.709 nan 8.370 nan 0.000 0.513 463 G N 0.725 109.528 108.800 0.004 0.000 2.640 463 G HA2 -0.347 3.614 3.960 0.000 0.000 0.226 463 G HA3 -0.347 3.614 3.960 0.000 0.000 0.226 463 G C 0.229 175.113 174.900 -0.028 0.000 1.222 463 G CA 0.262 45.353 45.100 -0.014 0.000 0.729 463 G HN 0.707 nan 8.290 nan 0.000 0.516 464 Q N 1.169 120.957 119.800 -0.019 0.000 2.296 464 Q HA 0.602 4.942 4.340 0.000 0.000 0.257 464 Q C 0.631 176.613 176.000 -0.031 0.000 0.942 464 Q CA -0.356 55.433 55.803 -0.024 0.000 0.939 464 Q CB 1.430 30.160 28.738 -0.012 0.000 1.198 464 Q HN 0.879 nan 8.270 nan 0.000 0.429 465 G N 2.800 111.573 108.800 -0.045 0.000 2.630 465 G HA2 -0.101 3.859 3.960 0.000 0.000 0.236 465 G HA3 -0.101 3.859 3.960 0.000 0.000 0.236 465 G C -0.038 174.844 174.900 -0.030 0.000 1.248 465 G CA -0.299 44.771 45.100 -0.051 0.000 0.844 465 G HN 0.815 nan 8.290 nan 0.000 0.588 466 D N 1.113 121.497 120.400 -0.027 0.000 2.190 466 D HA -0.139 4.501 4.640 0.000 0.000 0.200 466 D C 2.560 178.856 176.300 -0.008 0.000 0.992 466 D CA 1.658 55.652 54.000 -0.010 0.000 0.854 466 D CB -0.151 40.644 40.800 -0.008 0.000 0.936 466 D HN 0.460 nan 8.370 nan 0.000 0.462 467 A N -0.456 122.355 122.820 -0.015 0.000 2.248 467 A HA 0.009 4.329 4.320 0.000 0.000 0.210 467 A C 1.791 179.371 177.584 -0.006 0.000 1.174 467 A CA 1.282 53.313 52.037 -0.011 0.000 0.750 467 A CB -0.479 18.514 19.000 -0.012 0.000 0.780 467 A HN 0.522 nan 8.150 nan 0.000 0.478 468 c N -3.877 114.720 118.600 -0.005 0.000 4.061 468 c HA 0.222 4.792 4.570 0.000 0.000 0.568 468 c C 0.560 174.650 174.090 0.000 0.000 1.261 468 c CA -0.467 55.861 56.329 -0.003 0.000 2.569 468 c CB -0.577 41.930 42.510 -0.005 0.000 3.702 468 c HN 0.449 nan 8.230 nan 0.000 0.477 469 D N 2.238 122.637 120.400 -0.001 0.000 2.548 469 D HA 0.043 4.683 4.640 0.000 0.000 0.231 469 D C -0.070 176.236 176.300 0.010 0.000 1.142 469 D CA 1.133 55.136 54.000 0.004 0.000 0.866 469 D CB 0.722 41.525 40.800 0.004 0.000 1.190 469 D HN 0.390 nan 8.370 nan 0.000 0.469 470 D N 0.830 121.237 120.400 0.011 0.000 2.389 470 D HA 0.036 4.676 4.640 0.000 0.000 0.206 470 D C -0.323 175.987 176.300 0.018 0.000 1.055 470 D CA 0.166 54.174 54.000 0.014 0.000 0.856 470 D CB 0.442 41.249 40.800 0.011 0.000 0.957 470 D HN 0.272 nan 8.370 nan 0.000 0.509 471 D N 0.192 120.603 120.400 0.019 0.000 2.517 471 D HA 0.054 4.694 4.640 0.000 0.000 0.263 471 D C 0.130 176.446 176.300 0.027 0.000 1.233 471 D CA -0.270 53.743 54.000 0.022 0.000 0.849 471 D CB 0.555 41.365 40.800 0.016 0.000 1.261 471 D HN -0.252 nan 8.370 nan 0.000 0.516 472 D N 0.902 121.322 120.400 0.035 0.000 2.221 472 D HA -0.177 4.463 4.640 0.000 0.000 0.204 472 D C 1.330 177.659 176.300 0.048 0.000 0.982 472 D CA 1.086 55.109 54.000 0.039 0.000 0.857 472 D CB 0.276 41.104 40.800 0.047 0.000 0.934 472 D HN 0.595 nan 8.370 nan 0.000 0.475 473 D N -1.270 119.157 120.400 0.045 0.000 2.277 473 D HA -0.062 4.579 4.640 0.000 0.000 0.209 473 D C 0.782 177.100 176.300 0.030 0.000 0.970 473 D CA 0.320 54.345 54.000 0.042 0.000 0.874 473 D CB 0.018 40.837 40.800 0.031 0.000 0.982 473 D HN -0.105 nan 8.370 nan 0.000 0.504 474 N N -0.220 118.493 118.700 0.022 0.000 2.947 474 N HA -0.161 4.580 4.740 0.000 0.000 0.185 474 N C -0.456 175.058 175.510 0.007 0.000 1.026 474 N CA 1.182 54.241 53.050 0.015 0.000 1.028 474 N CB -1.757 36.740 38.487 0.017 0.000 0.985 474 N HN 0.534 nan 8.380 nan 0.000 0.559 475 D N 0.397 120.799 120.400 0.003 0.000 2.370 475 D HA 0.328 4.968 4.640 0.000 0.000 0.256 475 D C 1.488 177.787 176.300 -0.003 0.000 1.197 475 D CA 1.196 55.194 54.000 -0.003 0.000 0.922 475 D CB -0.682 40.113 40.800 -0.009 0.000 0.911 475 D HN 0.592 nan 8.370 nan 0.000 0.517 476 G N -1.106 107.695 108.800 0.001 0.000 2.363 476 G HA2 -0.315 3.645 3.960 0.000 0.000 0.238 476 G HA3 -0.315 3.645 3.960 0.000 0.000 0.238 476 G C 0.329 175.229 174.900 0.001 0.000 1.062 476 G CA 0.160 45.260 45.100 0.001 0.000 0.629 476 G HN 0.490 nan 8.290 nan 0.000 0.514 477 V N 3.058 122.973 119.914 0.000 0.000 2.470 477 V HA 0.433 4.553 4.120 0.000 0.000 0.276 477 V C -1.561 174.537 176.094 0.007 0.000 1.040 477 V CA -1.298 61.003 62.300 0.002 0.000 1.008 477 V CB 1.016 32.838 31.823 -0.003 0.000 0.990 477 V HN 0.204 nan 8.190 nan 0.000 0.477 478 P HA 0.116 nan 4.420 nan 0.000 0.268 478 P C 0.104 177.415 177.300 0.019 0.000 1.205 478 P CA -0.179 62.928 63.100 0.013 0.000 0.771 478 P CB 0.483 32.190 31.700 0.011 0.000 0.858 479 D N 0.156 120.572 120.400 0.026 0.000 2.348 479 D HA -0.147 4.494 4.640 0.000 0.000 0.216 479 D C 1.357 177.679 176.300 0.036 0.000 0.970 479 D CA 0.871 54.894 54.000 0.038 0.000 0.889 479 D CB -0.705 40.127 40.800 0.053 0.000 0.912 479 D HN 0.264 nan 8.370 nan 0.000 0.524 480 S N -0.142 115.573 115.700 0.026 0.000 2.387 480 S HA -0.262 4.208 4.470 0.000 0.000 0.230 480 S C 1.448 176.062 174.600 0.023 0.000 1.035 480 S CA 0.856 59.069 58.200 0.022 0.000 1.014 480 S CB -0.427 62.782 63.200 0.016 0.000 0.836 480 S HN 0.338 nan 8.310 nan 0.000 0.466 481 R N 0.746 121.258 120.500 0.020 0.000 2.718 481 R HA 0.376 4.716 4.340 0.000 0.000 0.266 481 R C -2.037 174.271 176.300 0.014 0.000 1.776 481 R CA -0.178 55.933 56.100 0.017 0.000 1.567 481 R CB 0.488 30.795 30.300 0.012 0.000 1.336 481 R HN 0.219 nan 8.270 nan 0.000 0.619 482 D N 0.581 120.993 120.400 0.019 0.000 2.581 482 D HA 0.119 4.759 4.640 0.000 0.000 0.232 482 D C -0.055 176.246 176.300 0.001 0.000 1.143 482 D CA -0.511 53.493 54.000 0.007 0.000 0.881 482 D CB 1.717 42.522 40.800 0.009 0.000 1.500 482 D HN 0.456 nan 8.370 nan 0.000 0.458 483 N N -0.314 118.366 118.700 -0.032 0.000 2.332 483 N HA 0.067 4.807 4.740 0.000 0.000 0.190 483 N C -0.029 175.383 175.510 -0.164 0.000 1.117 483 N CA 0.222 53.236 53.050 -0.061 0.000 0.883 483 N CB 0.263 38.721 38.487 -0.047 0.000 1.089 483 N HN 0.136 nan 8.380 nan 0.000 0.480 484 c N 1.633 120.128 118.600 -0.175 0.000 2.792 484 c HA 0.424 4.995 4.570 0.000 0.000 0.306 484 c C 1.682 175.640 174.090 -0.221 0.000 1.462 484 c CA -0.898 55.253 56.329 -0.298 0.000 1.640 484 c CB -1.687 40.697 42.510 -0.209 0.000 2.434 484 c HN 0.495 nan 8.230 nan 0.000 0.538 485 R N 0.538 120.948 120.500 -0.150 0.000 2.267 485 R HA -0.180 4.160 4.340 0.000 0.000 0.259 485 R C 1.006 177.357 176.300 0.086 0.000 1.192 485 R CA 1.768 57.899 56.100 0.052 0.000 1.013 485 R CB 0.013 30.463 30.300 0.250 0.000 0.877 485 R HN 0.652 nan 8.270 nan 0.000 0.474 486 L N -0.013 121.236 121.223 0.042 0.000 2.817 486 L HA 0.224 4.564 4.340 0.000 0.000 0.248 486 L C -0.073 176.811 176.870 0.023 0.000 1.133 486 L CA -0.394 54.503 54.840 0.096 0.000 0.935 486 L CB 1.370 43.578 42.059 0.248 0.000 1.266 486 L HN -0.027 nan 8.230 nan 0.000 0.535 487 V N -2.483 117.403 119.914 -0.046 0.000 2.513 487 V HA 0.572 4.692 4.120 0.000 0.000 0.299 487 V C -2.550 173.521 176.094 -0.038 0.000 1.035 487 V CA -2.644 59.633 62.300 -0.037 0.000 0.889 487 V CB 1.146 32.939 31.823 -0.051 0.000 0.988 487 V HN -0.106 nan 8.190 nan 0.000 0.440 488 P HA 0.030 nan 4.420 nan 0.000 0.257 488 P C -0.372 176.909 177.300 -0.032 0.000 1.162 488 P CA 0.809 63.896 63.100 -0.022 0.000 0.762 488 P CB 0.024 31.713 31.700 -0.018 0.000 0.753 489 N N 3.039 121.719 118.700 -0.032 0.000 2.639 489 N HA 0.113 4.853 4.740 0.000 0.000 0.265 489 N C -2.496 172.998 175.510 -0.026 0.000 1.689 489 N CA -1.559 51.470 53.050 -0.035 0.000 0.813 489 N CB 0.515 38.972 38.487 -0.050 0.000 1.353 489 N HN 0.008 nan 8.380 nan 0.000 0.510 490 P HA -0.101 nan 4.420 nan 0.000 0.218 490 P C 1.537 178.828 177.300 -0.015 0.000 1.146 490 P CA 1.786 64.877 63.100 -0.015 0.000 0.820 490 P CB -0.041 31.651 31.700 -0.013 0.000 0.778 491 G N -1.363 107.427 108.800 -0.017 0.000 2.551 491 G HA2 -0.134 3.827 3.960 0.000 0.000 0.216 491 G HA3 -0.134 3.827 3.960 0.000 0.000 0.216 491 G C 0.581 175.470 174.900 -0.017 0.000 1.137 491 G CA 0.085 45.176 45.100 -0.016 0.000 0.798 491 G HN 0.101 nan 8.290 nan 0.000 0.536 492 Q N 0.247 120.033 119.800 -0.022 0.000 2.452 492 Q HA -0.172 4.168 4.340 0.000 0.000 0.248 492 Q C 0.419 176.405 176.000 -0.025 0.000 0.874 492 Q CA 1.375 57.163 55.803 -0.025 0.000 1.208 492 Q CB -2.188 26.539 28.738 -0.019 0.000 1.569 492 Q HN 0.859 nan 8.270 nan 0.000 0.579 493 E N 1.329 121.515 120.200 -0.024 0.000 2.404 493 E HA 0.331 4.681 4.350 0.000 0.000 0.261 493 E C -0.299 176.286 176.600 -0.025 0.000 1.074 493 E CA 0.234 56.622 56.400 -0.021 0.000 0.917 493 E CB 0.992 30.680 29.700 -0.019 0.000 0.965 493 E HN 0.008 nan 8.360 nan 0.000 0.433 494 D N 0.492 120.879 120.400 -0.021 0.000 2.581 494 D HA 0.365 5.005 4.640 0.000 0.000 0.232 494 D C -0.001 176.288 176.300 -0.017 0.000 1.143 494 D CA -0.565 53.422 54.000 -0.022 0.000 0.881 494 D CB 1.800 42.588 40.800 -0.020 0.000 1.500 494 D HN 0.494 nan 8.370 nan 0.000 0.458 495 A N 0.679 123.489 122.820 -0.017 0.000 2.123 495 A HA 0.108 4.428 4.320 0.000 0.000 0.214 495 A C 0.173 177.751 177.584 -0.010 0.000 1.152 495 A CA 0.864 52.894 52.037 -0.013 0.000 0.728 495 A CB -0.149 18.844 19.000 -0.012 0.000 0.814 495 A HN 0.554 nan 8.150 nan 0.000 0.464 496 D N -1.996 118.397 120.400 -0.011 0.000 2.661 496 D HA 0.269 4.909 4.640 0.000 0.000 0.228 496 D C -0.764 175.531 176.300 -0.009 0.000 1.210 496 D CA -0.811 53.184 54.000 -0.008 0.000 0.826 496 D CB 0.640 41.437 40.800 -0.006 0.000 1.542 496 D HN -0.124 nan 8.370 nan 0.000 0.447 497 R N 0.976 121.472 120.500 -0.007 0.000 2.202 497 R HA 0.313 4.653 4.340 0.000 0.000 0.334 497 R C -0.658 175.640 176.300 -0.004 0.000 1.036 497 R CA 0.033 56.130 56.100 -0.006 0.000 0.878 497 R CB -0.059 30.238 30.300 -0.005 0.000 1.067 497 R HN 0.742 nan 8.270 nan 0.000 0.457 498 D N 2.264 122.662 120.400 -0.004 0.000 2.489 498 D HA 0.085 4.725 4.640 0.000 0.000 0.343 498 D C 0.835 177.137 176.300 0.003 0.000 1.295 498 D CA 0.575 54.575 54.000 0.000 0.000 0.908 498 D CB -0.063 40.738 40.800 0.002 0.000 1.382 498 D HN 0.627 nan 8.370 nan 0.000 0.468 499 G N 0.475 109.274 108.800 -0.002 0.000 2.475 499 G HA2 -0.219 3.742 3.960 0.000 0.000 0.209 499 G HA3 -0.219 3.742 3.960 0.000 0.000 0.209 499 G C 0.113 175.008 174.900 -0.009 0.000 1.127 499 G CA 0.029 45.130 45.100 0.002 0.000 0.681 499 G HN 0.689 nan 8.290 nan 0.000 0.517 500 V N 2.261 122.167 119.914 -0.013 0.000 3.133 500 V HA 0.679 4.799 4.120 0.000 0.000 0.305 500 V C 1.587 177.644 176.094 -0.061 0.000 1.084 500 V CA 1.313 63.585 62.300 -0.047 0.000 1.089 500 V CB 1.174 32.976 31.823 -0.035 0.000 1.073 500 V HN 1.110 nan 8.190 nan 0.000 0.477 501 G N 1.819 110.561 108.800 -0.098 0.000 2.964 501 G HA2 0.240 4.200 3.960 0.000 0.000 0.191 501 G HA3 0.240 4.200 3.960 0.000 0.000 0.191 501 G C 0.037 174.898 174.900 -0.065 0.000 1.978 501 G CA 0.893 45.944 45.100 -0.081 0.000 0.861 501 G HN 0.716 nan 8.290 nan 0.000 0.584 502 D N -1.982 118.374 120.400 -0.073 0.000 2.736 502 D HA 0.070 4.710 4.640 0.000 0.000 0.146 502 D C 2.370 178.638 176.300 -0.052 0.000 1.409 502 D CA 0.009 53.978 54.000 -0.052 0.000 1.559 502 D CB -0.366 40.408 40.800 -0.042 0.000 1.683 502 D HN -0.049 nan 8.370 nan 0.000 0.196 503 V N 1.809 121.692 119.914 -0.052 0.000 3.140 503 V HA -0.160 3.960 4.120 0.000 0.000 0.269 503 V C 1.876 177.940 176.094 -0.049 0.000 1.149 503 V CA 1.700 63.975 62.300 -0.042 0.000 1.162 503 V CB -1.048 30.753 31.823 -0.037 0.000 0.756 503 V HN 0.570 nan 8.190 nan 0.000 0.523 504 c N -2.521 116.030 118.600 -0.081 0.000 3.115 504 c HA 0.409 4.979 4.570 0.000 0.000 0.277 504 c C 1.962 176.000 174.090 -0.087 0.000 1.460 504 c CA -0.456 55.807 56.329 -0.109 0.000 1.789 504 c CB -0.105 42.258 42.510 -0.246 0.000 2.674 504 c HN 0.423 nan 8.230 nan 0.000 0.582 505 Q N 3.086 122.855 119.800 -0.052 0.000 1.900 505 Q HA -0.174 4.167 4.340 0.000 0.000 0.219 505 Q C 0.494 176.495 176.000 0.002 0.000 1.012 505 Q CA 2.637 58.422 55.803 -0.030 0.000 0.876 505 Q CB -0.295 28.432 28.738 -0.018 0.000 0.952 505 Q HN 0.715 nan 8.270 nan 0.000 0.419 506 D N -0.128 120.281 120.400 0.016 0.000 2.738 506 D HA 0.192 4.833 4.640 0.000 0.000 0.246 506 D C -0.990 175.342 176.300 0.052 0.000 1.270 506 D CA 0.104 54.127 54.000 0.038 0.000 0.833 506 D CB 0.453 41.271 40.800 0.029 0.000 1.040 506 D HN 0.132 nan 8.370 nan 0.000 0.487 507 D N -0.554 119.881 120.400 0.058 0.000 3.220 507 D HA 0.027 4.668 4.640 0.000 0.000 0.309 507 D C 0.601 176.967 176.300 0.109 0.000 1.276 507 D CA -0.514 53.532 54.000 0.076 0.000 0.736 507 D CB -0.525 40.301 40.800 0.043 0.000 1.304 507 D HN 0.011 nan 8.370 nan 0.000 0.582 508 F N 1.460 121.417 119.950 0.012 0.000 2.127 508 F HA -0.303 4.224 4.527 0.000 0.000 0.299 508 F C 1.599 177.406 175.800 0.012 0.000 1.068 508 F CA 2.230 60.236 58.000 0.012 0.000 1.263 508 F CB 0.574 39.582 39.000 0.013 0.000 1.016 508 F HN 0.211 nan 8.300 nan 0.000 0.491 509 D N -0.625 119.962 120.400 0.312 0.000 2.440 509 D HA 0.158 4.798 4.640 0.000 0.000 0.216 509 D C 0.975 177.341 176.300 0.110 0.000 1.150 509 D CA 0.600 54.731 54.000 0.218 0.000 0.832 509 D CB -0.394 40.508 40.800 0.170 0.000 0.992 509 D HN 0.273 nan 8.370 nan 0.000 0.502 510 A N 2.347 125.214 122.820 0.078 0.000 2.642 510 A HA -0.254 4.067 4.320 0.000 0.000 0.307 510 A C 0.962 178.571 177.584 0.042 0.000 1.512 510 A CA 1.303 53.365 52.037 0.042 0.000 0.861 510 A CB -1.976 17.036 19.000 0.020 0.000 0.991 510 A HN 0.544 nan 8.150 nan 0.000 0.449 511 D N -0.229 120.202 120.400 0.051 0.000 2.323 511 D HA 0.116 4.756 4.640 0.000 0.000 0.239 511 D C 0.691 177.011 176.300 0.033 0.000 1.129 511 D CA 0.429 54.454 54.000 0.042 0.000 0.865 511 D CB -0.727 40.100 40.800 0.044 0.000 0.913 511 D HN 1.044 nan 8.370 nan 0.000 0.517 512 K N -1.578 118.840 120.400 0.030 0.000 3.100 512 K HA -0.185 4.136 4.320 0.000 0.000 0.261 512 K C -1.022 175.594 176.600 0.027 0.000 0.920 512 K CA 0.669 56.971 56.287 0.024 0.000 0.683 512 K CB -2.444 30.067 32.500 0.017 0.000 1.349 512 K HN 0.158 nan 8.250 nan 0.000 0.473 513 V N 1.531 121.466 119.914 0.033 0.000 2.447 513 V HA 0.272 4.392 4.120 0.000 0.000 0.292 513 V C 0.078 176.196 176.094 0.040 0.000 1.021 513 V CA -0.969 61.351 62.300 0.034 0.000 0.850 513 V CB 1.836 33.679 31.823 0.034 0.000 1.005 513 V HN 0.290 nan 8.190 nan 0.000 0.426 514 V N 4.080 124.015 119.914 0.035 0.000 2.788 514 V HA 0.004 4.124 4.120 0.000 0.000 0.307 514 V C 1.494 177.615 176.094 0.045 0.000 1.069 514 V CA 0.152 62.475 62.300 0.038 0.000 1.173 514 V CB 0.284 32.124 31.823 0.029 0.000 0.925 514 V HN 0.868 nan 8.190 nan 0.000 0.492 515 D N 2.472 122.905 120.400 0.056 0.000 2.126 515 D HA -0.190 4.450 4.640 0.000 0.000 0.190 515 D C 2.014 178.342 176.300 0.046 0.000 1.001 515 D CA 1.589 55.626 54.000 0.063 0.000 0.841 515 D CB -0.099 40.749 40.800 0.080 0.000 0.949 515 D HN 0.645 nan 8.370 nan 0.000 0.446 516 K N 0.521 120.943 120.400 0.037 0.000 2.127 516 K HA -0.179 4.141 4.320 0.000 0.000 0.208 516 K C 1.875 178.489 176.600 0.024 0.000 1.047 516 K CA 1.002 57.305 56.287 0.027 0.000 0.927 516 K CB -0.206 32.306 32.500 0.021 0.000 0.716 516 K HN 0.192 nan 8.250 nan 0.000 0.450 517 I N 0.479 121.065 120.570 0.026 0.000 3.860 517 I HA -0.014 4.156 4.170 0.000 0.000 0.319 517 I C 0.217 176.352 176.117 0.030 0.000 1.279 517 I CA -0.008 61.306 61.300 0.023 0.000 1.220 517 I CB 0.081 38.093 38.000 0.019 0.000 1.027 517 I HN -0.069 nan 8.210 nan 0.000 0.428 518 D N 0.696 121.119 120.400 0.039 0.000 2.365 518 D HA 0.115 4.755 4.640 0.000 0.000 0.237 518 D C 1.358 177.693 176.300 0.058 0.000 1.190 518 D CA 0.088 54.116 54.000 0.047 0.000 0.867 518 D CB 1.182 42.013 40.800 0.051 0.000 1.050 518 D HN -0.154 nan 8.370 nan 0.000 0.491 519 V N 2.801 122.757 119.914 0.070 0.000 2.317 519 V HA -0.274 3.846 4.120 0.000 0.000 0.251 519 V C 1.083 177.261 176.094 0.139 0.000 1.065 519 V CA 1.262 63.631 62.300 0.115 0.000 1.049 519 V CB -0.132 31.771 31.823 0.134 0.000 0.651 519 V HN 0.715 nan 8.190 nan 0.000 0.450 520 c N 1.202 119.862 118.600 0.100 0.000 3.003 520 c HA 0.331 4.901 4.570 0.000 0.000 0.241 520 c C -0.643 173.462 174.090 0.025 0.000 1.224 520 c CA -0.855 55.512 56.329 0.063 0.000 1.560 520 c CB 0.553 43.084 42.510 0.034 0.000 1.768 520 c HN 0.453 nan 8.230 nan 0.000 0.440 521 P HA -0.150 nan 4.420 nan 0.000 0.221 521 P C 0.399 177.691 177.300 -0.013 0.000 1.145 521 P CA 1.577 64.685 63.100 0.014 0.000 0.795 521 P CB 0.215 31.915 31.700 0.000 0.000 0.775 522 E N -0.621 119.520 120.200 -0.098 0.000 3.105 522 E HA 0.275 4.625 4.350 0.000 0.000 0.219 522 E C -0.131 176.447 176.600 -0.038 0.000 1.064 522 E CA -0.572 55.757 56.400 -0.119 0.000 1.342 522 E CB -0.240 29.182 29.700 -0.462 0.000 1.295 522 E HN -0.007 nan 8.360 nan 0.000 0.438 523 N N 0.867 119.566 118.700 -0.001 0.000 2.519 523 N HA 0.221 4.962 4.740 0.000 0.000 0.291 523 N C -0.074 175.444 175.510 0.012 0.000 1.107 523 N CA -0.143 52.904 53.050 -0.006 0.000 0.904 523 N CB 1.922 40.383 38.487 -0.043 0.000 1.500 523 N HN 0.104 nan 8.380 nan 0.000 0.510 524 A N 2.942 125.776 122.820 0.024 0.000 1.930 524 A HA -0.113 4.207 4.320 0.000 0.000 0.217 524 A C 1.642 179.238 177.584 0.021 0.000 1.175 524 A CA 1.444 53.503 52.037 0.036 0.000 0.627 524 A CB -0.217 18.815 19.000 0.053 0.000 0.815 524 A HN 0.804 nan 8.150 nan 0.000 0.443 525 E N -0.461 119.739 120.200 0.000 0.000 2.190 525 E HA 0.070 4.421 4.350 0.000 0.000 0.191 525 E C 0.756 177.349 176.600 -0.012 0.000 0.978 525 E CA 0.520 56.916 56.400 -0.007 0.000 0.839 525 E CB -0.750 28.937 29.700 -0.022 0.000 0.787 525 E HN 0.264 nan 8.360 nan 0.000 0.473 526 V N 0.653 120.550 119.914 -0.028 0.000 2.904 526 V HA 0.214 4.334 4.120 0.000 0.000 0.305 526 V C 0.685 176.794 176.094 0.025 0.000 1.067 526 V CA 0.986 63.277 62.300 -0.014 0.000 1.044 526 V CB 1.591 33.370 31.823 -0.074 0.000 1.050 526 V HN 0.453 nan 8.190 nan 0.000 0.475 527 T N 3.704 118.291 114.554 0.054 0.000 3.421 527 T HA 0.280 4.630 4.350 0.000 0.000 0.277 527 T C -0.928 173.804 174.700 0.053 0.000 0.867 527 T CA 0.170 62.301 62.100 0.051 0.000 0.957 527 T CB 0.019 68.910 68.868 0.038 0.000 1.225 527 T HN 0.339 nan 8.240 nan 0.000 0.544 528 L N 1.753 123.008 121.223 0.052 0.000 2.549 528 L HA 0.550 4.891 4.340 0.000 0.000 0.259 528 L C -0.574 176.255 176.870 -0.069 0.000 0.934 528 L CA -0.246 54.597 54.840 0.006 0.000 0.865 528 L CB 2.105 44.171 42.059 0.012 0.000 1.352 528 L HN 0.007 nan 8.230 nan 0.000 0.410 529 T N 2.764 117.180 114.554 -0.229 0.000 2.778 529 T HA 0.212 4.563 4.350 0.000 0.000 0.282 529 T C -0.750 173.791 174.700 -0.265 0.000 0.983 529 T CA 0.800 62.529 62.100 -0.617 0.000 1.193 529 T CB -0.442 68.102 68.868 -0.540 0.000 0.938 529 T HN 0.453 nan 8.240 nan 0.000 0.523 530 D N 2.775 123.059 120.400 -0.193 0.000 2.616 530 D HA 0.239 4.879 4.640 0.000 0.000 0.238 530 D C -0.644 175.675 176.300 0.032 0.000 1.354 530 D CA -0.658 53.349 54.000 0.011 0.000 0.970 530 D CB 0.488 41.318 40.800 0.049 0.000 1.369 530 D HN 0.334 nan 8.370 nan 0.000 0.585 531 F N 2.155 122.194 119.950 0.149 0.000 2.653 531 F HA 0.193 4.721 4.527 0.000 0.000 0.304 531 F C 2.149 178.046 175.800 0.163 0.000 1.092 531 F CA -0.177 57.910 58.000 0.145 0.000 1.279 531 F CB 0.451 39.492 39.000 0.068 0.000 1.044 531 F HN 0.318 nan 8.300 nan 0.000 0.564 532 R N 0.448 121.146 120.500 0.329 0.000 2.148 532 R HA 0.166 4.506 4.340 0.000 0.000 0.223 532 R C 0.896 177.461 176.300 0.441 0.000 1.088 532 R CA 0.793 57.104 56.100 0.352 0.000 0.985 532 R CB -0.572 29.872 30.300 0.238 0.000 0.880 532 R HN 0.133 nan 8.270 nan 0.000 0.451 533 A N 2.675 125.719 122.820 0.372 0.000 2.343 533 A HA 0.456 4.776 4.320 0.000 0.000 0.305 533 A C -0.579 177.325 177.584 0.533 0.000 1.308 533 A CA -0.635 51.651 52.037 0.415 0.000 0.949 533 A CB -0.449 18.757 19.000 0.343 0.000 1.148 533 A HN 0.438 nan 8.150 nan 0.000 0.545 534 F N 0.631 120.697 119.950 0.193 0.000 2.581 534 F HA 0.593 5.120 4.527 0.000 0.000 0.311 534 F C -0.499 175.169 175.800 -0.219 0.000 1.113 534 F CA -1.066 56.825 58.000 -0.181 0.000 0.935 534 F CB 1.275 40.190 39.000 -0.142 0.000 1.232 534 F HN 0.569 nan 8.300 nan 0.000 0.445 535 Q N 2.479 121.933 119.800 -0.577 0.000 2.314 535 Q HA 0.375 4.715 4.340 0.000 0.000 0.258 535 Q C -0.655 175.209 176.000 -0.226 0.000 0.954 535 Q CA -0.272 55.349 55.803 -0.304 0.000 0.890 535 Q CB 1.413 29.990 28.738 -0.268 0.000 1.210 535 Q HN 0.918 nan 8.270 nan 0.000 0.410 536 T N 2.308 116.775 114.554 -0.145 0.000 2.771 536 T HA 0.512 4.862 4.350 0.000 0.000 0.281 536 T C -0.856 173.833 174.700 -0.019 0.000 0.982 536 T CA -0.656 61.413 62.100 -0.052 0.000 0.978 536 T CB 0.913 69.826 68.868 0.074 0.000 0.930 536 T HN 0.385 nan 8.240 nan 0.000 0.447 537 V N 5.373 125.263 119.914 -0.040 0.000 2.513 537 V HA 0.601 4.722 4.120 0.000 0.000 0.299 537 V C -0.076 176.050 176.094 0.054 0.000 1.035 537 V CA -0.884 61.407 62.300 -0.015 0.000 0.889 537 V CB 1.705 33.494 31.823 -0.057 0.000 0.988 537 V HN 0.795 nan 8.190 nan 0.000 0.440 538 V N 6.092 126.035 119.914 0.049 0.000 2.384 538 V HA 0.335 4.455 4.120 0.000 0.000 0.287 538 V C 0.453 176.565 176.094 0.029 0.000 1.020 538 V CA -0.284 62.051 62.300 0.058 0.000 0.850 538 V CB 1.621 33.481 31.823 0.062 0.000 0.987 538 V HN 0.732 nan 8.190 nan 0.000 0.436 539 L N 4.321 125.559 121.223 0.025 0.000 2.492 539 L HA 0.316 4.656 4.340 0.000 0.000 0.223 539 L C 0.675 177.525 176.870 -0.034 0.000 1.132 539 L CA 0.971 55.818 54.840 0.012 0.000 0.850 539 L CB -0.716 41.366 42.059 0.039 0.000 0.966 539 L HN 0.764 nan 8.230 nan 0.000 0.454 540 D N -0.321 120.056 120.400 -0.038 0.000 2.363 540 D HA 0.213 4.853 4.640 0.000 0.000 0.258 540 D C -1.826 174.478 176.300 0.007 0.000 1.259 540 D CA -1.416 52.571 54.000 -0.022 0.000 0.921 540 D CB 1.674 42.454 40.800 -0.033 0.000 1.201 540 D HN -0.118 nan 8.370 nan 0.000 0.524 541 P HA -0.038 nan 4.420 nan 0.000 0.221 541 P C 1.214 178.525 177.300 0.019 0.000 1.155 541 P CA 0.479 63.582 63.100 0.005 0.000 0.812 541 P CB 0.667 32.353 31.700 -0.024 0.000 0.801 542 E N 0.965 121.177 120.200 0.021 0.000 2.114 542 E HA -0.018 4.333 4.350 0.000 0.000 0.199 542 E C 0.752 177.379 176.600 0.044 0.000 1.008 542 E CA 1.516 57.935 56.400 0.031 0.000 0.810 542 E CB -0.981 28.739 29.700 0.032 0.000 0.739 542 E HN 0.331 nan 8.360 nan 0.000 0.456 543 G N -0.191 108.642 108.800 0.054 0.000 3.019 543 G HA2 -0.207 3.753 3.960 0.000 0.000 0.686 543 G HA3 -0.207 3.753 3.960 0.000 0.000 0.686 543 G C -0.112 174.847 174.900 0.098 0.000 1.056 543 G CA 0.018 45.164 45.100 0.076 0.000 0.774 543 G HN 0.314 nan 8.290 nan 0.000 0.583 544 D N 1.110 121.597 120.400 0.144 0.000 2.725 544 D HA 0.352 4.992 4.640 0.000 0.000 0.269 544 D C 2.512 178.927 176.300 0.191 0.000 1.018 544 D CA 1.738 55.850 54.000 0.187 0.000 0.956 544 D CB -0.096 40.869 40.800 0.274 0.000 1.141 544 D HN 1.020 nan 8.370 nan 0.000 0.478 545 A N 0.030 122.981 122.820 0.218 0.000 2.119 545 A HA 0.042 4.363 4.320 0.000 0.000 0.216 545 A C 1.002 178.652 177.584 0.109 0.000 1.152 545 A CA 0.769 52.907 52.037 0.168 0.000 0.708 545 A CB -0.600 18.521 19.000 0.200 0.000 0.805 545 A HN 0.379 nan 8.150 nan 0.000 0.460 546 Q N -1.345 118.518 119.800 0.105 0.000 2.385 546 Q HA -0.202 4.139 4.340 0.000 0.000 0.311 546 Q C -1.011 175.030 176.000 0.069 0.000 1.259 546 Q CA 0.776 56.626 55.803 0.078 0.000 0.921 546 Q CB -1.449 27.325 28.738 0.061 0.000 1.209 546 Q HN 0.761 nan 8.270 nan 0.000 0.473 547 I N -0.142 120.477 120.570 0.081 0.000 2.406 547 I HA 0.297 4.468 4.170 0.000 0.000 0.290 547 I C 0.129 176.289 176.117 0.071 0.000 0.999 547 I CA -0.945 60.395 61.300 0.066 0.000 1.124 547 I CB 1.609 39.646 38.000 0.063 0.000 1.289 547 I HN -0.114 nan 8.210 nan 0.000 0.441 548 D N 7.766 128.202 120.400 0.060 0.000 2.255 548 D HA 0.277 4.917 4.640 0.000 0.000 0.249 548 D C -2.261 174.049 176.300 0.016 0.000 1.078 548 D CA -1.264 52.774 54.000 0.064 0.000 0.896 548 D CB 1.213 42.065 40.800 0.087 0.000 1.194 548 D HN 0.205 nan 8.370 nan 0.000 0.429 549 P HA 0.046 nan 4.420 nan 0.000 0.267 549 P C -0.702 176.424 177.300 -0.291 0.000 1.200 549 P CA -0.155 62.806 63.100 -0.233 0.000 0.772 549 P CB 0.351 31.843 31.700 -0.348 0.000 0.855 550 N N 1.336 119.818 118.700 -0.363 0.000 2.354 550 N HA 0.414 5.154 4.740 0.000 0.000 0.287 550 N C -1.662 173.720 175.510 -0.213 0.000 1.016 550 N CA -0.866 52.078 53.050 -0.177 0.000 0.871 550 N CB 0.956 39.457 38.487 0.022 0.000 1.299 550 N HN 0.275 nan 8.380 nan 0.000 0.482 551 W N 2.676 124.107 121.300 0.219 0.000 2.429 551 W HA 0.548 5.208 4.660 0.000 0.000 0.314 551 W C -0.854 175.782 176.519 0.195 0.000 1.062 551 W CA -0.880 56.576 57.345 0.186 0.000 1.211 551 W CB 1.535 31.094 29.460 0.166 0.000 1.305 551 W HN 0.141 nan 8.180 nan 0.000 0.476 552 V N 4.701 124.829 119.914 0.357 0.000 2.417 552 V HA 0.482 4.602 4.120 0.000 0.000 0.291 552 V C 0.057 176.277 176.094 0.211 0.000 1.024 552 V CA -1.220 61.240 62.300 0.265 0.000 0.861 552 V CB 0.895 32.841 31.823 0.204 0.000 0.985 552 V HN 0.372 nan 8.190 nan 0.000 0.436 553 V N 3.826 123.847 119.914 0.178 0.000 2.617 553 V HA 0.816 4.936 4.120 0.000 0.000 0.298 553 V C -0.329 175.845 176.094 0.134 0.000 1.048 553 V CA -0.478 61.903 62.300 0.134 0.000 0.964 553 V CB 1.335 33.243 31.823 0.141 0.000 1.004 553 V HN 0.695 nan 8.190 nan 0.000 0.466 554 L N 1.001 122.297 121.223 0.122 0.000 2.357 554 L HA 0.565 4.905 4.340 0.000 0.000 0.244 554 L C 0.856 177.783 176.870 0.096 0.000 1.115 554 L CA -0.606 54.293 54.840 0.098 0.000 0.919 554 L CB 1.476 43.585 42.059 0.084 0.000 1.532 554 L HN 0.929 nan 8.230 nan 0.000 0.416 555 N N 1.028 119.771 118.700 0.073 0.000 2.708 555 N HA -0.253 4.488 4.740 0.000 0.000 0.249 555 N C -0.468 175.093 175.510 0.085 0.000 1.097 555 N CA 0.923 54.018 53.050 0.074 0.000 0.710 555 N CB -0.290 38.247 38.487 0.084 0.000 1.032 555 N HN 0.755 nan 8.380 nan 0.000 0.551 556 Q N -3.137 116.713 119.800 0.084 0.000 2.494 556 Q HA -0.220 4.120 4.340 0.000 0.000 0.272 556 Q C 0.759 176.824 176.000 0.108 0.000 1.145 556 Q CA 0.996 56.850 55.803 0.085 0.000 0.943 556 Q CB -1.993 26.786 28.738 0.067 0.000 1.338 556 Q HN 0.951 nan 8.270 nan 0.000 0.492 557 G N -0.278 108.606 108.800 0.139 0.000 2.134 557 G HA2 -0.291 3.669 3.960 0.000 0.000 0.209 557 G HA3 -0.291 3.669 3.960 0.000 0.000 0.209 557 G C 0.320 175.367 174.900 0.246 0.000 0.993 557 G CA 0.218 45.437 45.100 0.199 0.000 0.669 557 G HN 0.338 nan 8.290 nan 0.000 0.519 558 R N -0.063 120.545 120.500 0.181 0.000 2.508 558 R HA 0.300 4.640 4.340 0.000 0.000 0.300 558 R C 0.247 176.641 176.300 0.156 0.000 0.970 558 R CA 0.266 56.472 56.100 0.177 0.000 1.102 558 R CB 0.893 31.257 30.300 0.107 0.000 1.246 558 R HN 0.519 nan 8.270 nan 0.000 0.539 559 E N 1.011 121.301 120.200 0.150 0.000 2.311 559 E HA 0.344 4.695 4.350 0.000 0.000 0.281 559 E C -1.374 175.319 176.600 0.155 0.000 0.905 559 E CA -0.466 56.024 56.400 0.150 0.000 0.778 559 E CB 1.580 31.355 29.700 0.125 0.000 1.240 559 E HN -0.004 nan 8.360 nan 0.000 0.410 560 I N 3.265 123.968 120.570 0.221 0.000 2.603 560 I HA 0.537 4.707 4.170 0.000 0.000 0.300 560 I C -0.782 175.634 176.117 0.499 0.000 1.017 560 I CA -1.125 60.323 61.300 0.247 0.000 1.098 560 I CB 2.119 40.140 38.000 0.034 0.000 1.279 560 I HN 0.283 nan 8.210 nan 0.000 0.437 561 V N 4.642 124.826 119.914 0.450 0.000 2.760 561 V HA 0.412 4.532 4.120 0.000 0.000 0.309 561 V C -0.941 175.380 176.094 0.380 0.000 1.077 561 V CA -0.484 62.053 62.300 0.395 0.000 0.910 561 V CB 2.221 34.166 31.823 0.203 0.000 1.008 561 V HN 0.634 nan 8.190 nan 0.000 0.424 562 Q N 2.064 122.030 119.800 0.276 0.000 2.310 562 Q HA 0.391 4.731 4.340 0.000 0.000 0.270 562 Q C 0.356 176.315 176.000 -0.070 0.000 1.025 562 Q CA -0.025 55.760 55.803 -0.031 0.000 0.772 562 Q CB 2.186 30.803 28.738 -0.203 0.000 1.253 562 Q HN 0.961 nan 8.270 nan 0.000 0.450 563 T N 0.099 114.601 114.554 -0.086 0.000 3.040 563 T HA 0.288 4.638 4.350 0.000 0.000 0.250 563 T C 0.864 175.538 174.700 -0.044 0.000 1.058 563 T CA -0.116 61.961 62.100 -0.039 0.000 0.988 563 T CB 0.300 69.169 68.868 0.002 0.000 0.993 563 T HN 0.327 nan 8.240 nan 0.000 0.519 564 M N 2.603 122.160 119.600 -0.072 0.000 2.444 564 M HA 0.434 4.914 4.480 0.000 0.000 0.319 564 M C -0.193 176.105 176.300 -0.003 0.000 1.183 564 M CA -0.908 54.371 55.300 -0.036 0.000 1.032 564 M CB 0.736 33.311 32.600 -0.043 0.000 1.569 564 M HN 0.080 nan 8.290 nan 0.000 0.468 565 N N 1.325 120.044 118.700 0.033 0.000 2.918 565 N HA 0.198 4.938 4.740 0.000 0.000 0.247 565 N C -1.036 174.547 175.510 0.121 0.000 1.117 565 N CA -0.148 52.952 53.050 0.083 0.000 1.005 565 N CB 0.390 38.922 38.487 0.075 0.000 1.297 565 N HN 0.629 nan 8.380 nan 0.000 0.513 566 S N 0.945 116.727 115.700 0.137 0.000 2.766 566 S HA 0.494 4.964 4.470 0.000 0.000 0.307 566 S C -0.204 174.552 174.600 0.260 0.000 1.121 566 S CA -1.018 57.270 58.200 0.147 0.000 0.980 566 S CB 0.989 64.224 63.200 0.058 0.000 1.159 566 S HN 0.275 nan 8.310 nan 0.000 0.546 567 D N 2.297 122.826 120.400 0.216 0.000 2.362 567 D HA 0.271 4.912 4.640 0.000 0.000 0.238 567 D C -2.337 174.028 176.300 0.110 0.000 1.212 567 D CA -0.640 53.485 54.000 0.209 0.000 0.902 567 D CB -0.176 40.696 40.800 0.120 0.000 1.180 567 D HN 0.287 nan 8.370 nan 0.000 0.445 568 P HA 0.247 nan 4.420 nan 0.000 0.268 568 P C -0.204 177.064 177.300 -0.053 0.000 1.208 568 P CA 0.000 62.915 63.100 -0.309 0.000 0.777 568 P CB 0.583 31.911 31.700 -0.620 0.000 0.875 569 G N 0.381 109.185 108.800 0.006 0.000 2.519 569 G HA2 0.545 4.505 3.960 0.000 0.000 0.292 569 G HA3 0.545 4.505 3.960 0.000 0.000 0.292 569 G C -2.291 172.759 174.900 0.251 0.000 1.507 569 G CA -0.657 44.546 45.100 0.172 0.000 0.806 569 G HN 0.395 nan 8.290 nan 0.000 0.523 570 L N 0.547 121.858 121.223 0.147 0.000 2.410 570 L HA 0.743 5.083 4.340 0.000 0.000 0.270 570 L C 0.358 176.978 176.870 -0.415 0.000 0.983 570 L CA -1.099 53.675 54.840 -0.111 0.000 0.822 570 L CB 2.269 44.179 42.059 -0.248 0.000 1.285 570 L HN 0.813 nan 8.230 nan 0.000 0.409 571 A N 2.989 125.199 122.820 -1.017 0.000 2.276 571 A HA 0.643 4.963 4.320 0.000 0.000 0.300 571 A C -0.679 176.542 177.584 -0.606 0.000 1.235 571 A CA -0.454 50.959 52.037 -1.040 0.000 0.867 571 A CB 1.306 19.114 19.000 -1.987 0.000 1.137 571 A HN 0.479 nan 8.150 nan 0.000 0.527 572 V N 3.632 123.320 119.914 -0.376 0.000 2.483 572 V HA 0.709 4.829 4.120 0.000 0.000 0.297 572 V C 0.656 176.591 176.094 -0.265 0.000 1.027 572 V CA 0.207 62.287 62.300 -0.366 0.000 0.855 572 V CB 1.240 32.659 31.823 -0.675 0.000 0.995 572 V HN 1.308 nan 8.190 nan 0.000 0.424 573 G N 4.473 113.261 108.800 -0.020 0.000 2.630 573 G HA2 0.104 4.064 3.960 0.000 0.000 0.236 573 G HA3 0.104 4.064 3.960 0.000 0.000 0.236 573 G C -0.012 174.697 174.900 -0.319 0.000 1.248 573 G CA 0.230 45.258 45.100 -0.121 0.000 0.844 573 G HN 0.850 nan 8.290 nan 0.000 0.588 574 Y N -0.106 120.175 120.300 -0.032 0.000 2.395 574 Y HA 0.050 4.600 4.550 0.000 0.000 0.293 574 Y C 2.486 178.335 175.900 -0.085 0.000 1.123 574 Y CA 1.089 59.166 58.100 -0.038 0.000 1.227 574 Y CB -0.202 38.246 38.460 -0.020 0.000 1.012 574 Y HN 0.533 nan 8.280 nan 0.000 0.552 575 T N -0.023 114.495 114.554 -0.061 0.000 2.907 575 T HA 0.623 4.973 4.350 0.000 0.000 0.298 575 T C 0.120 174.682 174.700 -0.231 0.000 1.017 575 T CA -0.509 61.461 62.100 -0.216 0.000 1.118 575 T CB 1.163 69.803 68.868 -0.381 0.000 0.948 575 T HN 0.222 nan 8.240 nan 0.000 0.531 576 A N 2.783 125.459 122.820 -0.239 0.000 2.269 576 A HA 0.883 5.204 4.320 0.000 0.000 0.327 576 A C -0.898 176.485 177.584 -0.335 0.000 1.112 576 A CA -0.925 51.068 52.037 -0.074 0.000 0.865 576 A CB 0.642 19.674 19.000 0.055 0.000 1.227 576 A HN 0.805 nan 8.150 nan 0.000 0.498 577 F N -1.144 118.811 119.950 0.007 0.000 2.645 577 F HA 0.400 4.928 4.527 0.000 0.000 0.310 577 F C 0.591 176.417 175.800 0.043 0.000 1.102 577 F CA -0.531 57.473 58.000 0.007 0.000 0.952 577 F CB 2.088 41.088 39.000 -0.000 0.000 1.326 577 F HN 0.691 nan 8.300 nan 0.000 0.456 578 N N 0.165 118.998 118.700 0.221 0.000 1.746 578 N HA 0.323 5.064 4.740 0.000 0.000 0.227 578 N C 0.242 175.806 175.510 0.091 0.000 1.154 578 N CA 0.543 53.666 53.050 0.123 0.000 1.033 578 N CB -0.325 38.193 38.487 0.050 0.000 1.387 578 N HN 0.759 nan 8.380 nan 0.000 0.443 579 G N 0.218 109.033 108.800 0.025 0.000 2.340 579 G HA2 0.385 4.345 3.960 0.000 0.000 0.245 579 G HA3 0.385 4.345 3.960 0.000 0.000 0.245 579 G C -0.799 174.148 174.900 0.079 0.000 1.294 579 G CA 0.107 45.202 45.100 -0.008 0.000 0.896 579 G HN 0.315 nan 8.290 nan 0.000 0.522 580 V N 2.261 122.198 119.914 0.038 0.000 3.012 580 V HA 0.610 4.730 4.120 0.000 0.000 0.307 580 V C -1.759 174.311 176.094 -0.039 0.000 1.166 580 V CA -1.041 61.248 62.300 -0.019 0.000 0.974 580 V CB 2.653 34.295 31.823 -0.301 0.000 1.040 580 V HN 0.690 nan 8.190 nan 0.000 0.428 581 D N 4.539 124.942 120.400 0.004 0.000 2.505 581 D HA 0.622 5.262 4.640 0.000 0.000 0.249 581 D C -1.492 174.910 176.300 0.170 0.000 1.082 581 D CA 0.270 54.284 54.000 0.023 0.000 0.839 581 D CB 1.892 42.781 40.800 0.148 0.000 1.317 581 D HN 0.468 nan 8.370 nan 0.000 0.497 582 F N 2.474 122.384 119.950 -0.067 0.000 2.607 582 F HA 0.305 4.832 4.527 0.000 0.000 0.322 582 F C -1.360 174.466 175.800 0.044 0.000 1.176 582 F CA -0.840 57.192 58.000 0.053 0.000 0.977 582 F CB 1.379 40.419 39.000 0.067 0.000 1.242 582 F HN 0.298 nan 8.300 nan 0.000 0.465 583 E N 4.320 124.317 120.200 -0.337 0.000 2.314 583 E HA 0.842 5.192 4.350 0.000 0.000 0.272 583 E C -1.137 174.677 176.600 -1.311 0.000 0.884 583 E CA -1.367 54.559 56.400 -0.790 0.000 0.753 583 E CB 2.630 32.187 29.700 -0.239 0.000 1.213 583 E HN 0.858 nan 8.360 nan 0.000 0.432 584 G N 0.588 107.974 108.800 -2.356 0.000 2.682 584 G HA2 0.497 4.457 3.960 0.000 0.000 0.290 584 G HA3 0.497 4.457 3.960 0.000 0.000 0.290 584 G C -1.296 172.841 174.900 -1.272 0.000 1.425 584 G CA -0.696 43.260 45.100 -1.907 0.000 0.807 584 G HN 0.350 nan 8.290 nan 0.000 0.482 585 T N 1.141 115.432 114.554 -0.440 0.000 2.756 585 T HA 0.454 4.804 4.350 0.000 0.000 0.290 585 T C -1.039 173.891 174.700 0.383 0.000 0.985 585 T CA -0.144 61.972 62.100 0.027 0.000 0.955 585 T CB 0.811 69.697 68.868 0.029 0.000 0.930 585 T HN 0.439 nan 8.240 nan 0.000 0.451 586 F N 4.229 124.474 119.950 0.493 0.000 2.404 586 F HA 0.610 5.137 4.527 0.000 0.000 0.345 586 F C -0.281 175.666 175.800 0.244 0.000 1.110 586 F CA -1.129 57.123 58.000 0.419 0.000 1.130 586 F CB 0.566 39.949 39.000 0.638 0.000 1.129 586 F HN 0.678 nan 8.300 nan 0.000 0.500 587 H N 4.218 122.942 119.070 -0.576 0.000 3.026 587 H HA 0.512 5.068 4.556 0.000 0.000 0.352 587 H C -1.767 173.142 175.328 -0.699 0.000 1.090 587 H CA -0.893 54.768 56.048 -0.645 0.000 1.268 587 H CB 1.811 31.393 29.762 -0.299 0.000 1.816 587 H HN 0.658 nan 8.280 nan 0.000 0.518 588 V N 4.902 124.395 119.914 -0.702 0.000 2.311 588 V HA 0.302 4.423 4.120 0.000 0.000 0.275 588 V C -0.242 175.784 176.094 -0.114 0.000 1.022 588 V CA -0.662 61.371 62.300 -0.445 0.000 0.830 588 V CB 0.811 32.184 31.823 -0.749 0.000 1.012 588 V HN 0.873 nan 8.190 nan 0.000 0.452 589 N N 4.900 123.604 118.700 0.007 0.000 3.115 589 N HA 0.208 4.948 4.740 0.000 0.000 0.305 589 N C -0.225 175.288 175.510 0.005 0.000 1.305 589 N CA 0.839 53.918 53.050 0.049 0.000 1.154 589 N CB -0.505 37.955 38.487 -0.045 0.000 1.454 589 N HN 0.969 nan 8.380 nan 0.000 0.551 590 T N -2.109 112.450 114.554 0.009 0.000 3.033 590 T HA 0.096 4.446 4.350 0.000 0.000 0.362 590 T C 0.832 175.559 174.700 0.045 0.000 1.723 590 T CA -0.392 61.718 62.100 0.018 0.000 1.110 590 T CB -0.036 68.838 68.868 0.011 0.000 1.515 590 T HN -0.129 nan 8.240 nan 0.000 0.484 591 V N 1.184 121.119 119.914 0.036 0.000 2.719 591 V HA 0.202 4.322 4.120 0.000 0.000 0.252 591 V C 1.783 177.906 176.094 0.049 0.000 1.065 591 V CA 1.408 63.732 62.300 0.040 0.000 1.086 591 V CB -1.330 30.501 31.823 0.015 0.000 0.700 591 V HN 1.005 nan 8.190 nan 0.000 0.467 592 T N 0.051 114.632 114.554 0.044 0.000 2.898 592 T HA 0.324 4.675 4.350 0.000 0.000 0.301 592 T C 0.220 174.969 174.700 0.081 0.000 1.049 592 T CA 0.364 62.490 62.100 0.043 0.000 1.095 592 T CB 0.370 69.252 68.868 0.024 0.000 0.976 592 T HN 0.619 nan 8.240 nan 0.000 0.539 593 D N 1.041 121.480 120.400 0.065 0.000 4.556 593 D HA -0.163 4.477 4.640 0.000 0.000 0.303 593 D C -0.541 175.815 176.300 0.093 0.000 2.368 593 D CA 1.708 55.763 54.000 0.092 0.000 1.145 593 D CB -0.424 40.457 40.800 0.134 0.000 1.097 593 D HN 0.972 nan 8.370 nan 0.000 1.280 594 D N -1.183 119.271 120.400 0.090 0.000 3.244 594 D HA 0.182 4.822 4.640 0.000 0.000 0.292 594 D C -0.336 175.915 176.300 -0.081 0.000 1.652 594 D CA -0.349 53.592 54.000 -0.099 0.000 0.803 594 D CB -0.326 40.334 40.800 -0.233 0.000 1.390 594 D HN 0.146 nan 8.370 nan 0.000 0.528 595 D N -0.105 120.394 120.400 0.165 0.000 2.406 595 D HA 0.257 4.897 4.640 0.000 0.000 0.288 595 D C -0.269 176.126 176.300 0.159 0.000 1.186 595 D CA -0.179 53.849 54.000 0.047 0.000 1.098 595 D CB 0.287 41.197 40.800 0.183 0.000 1.160 595 D HN 0.046 nan 8.370 nan 0.000 0.561 596 Y N -0.440 119.939 120.300 0.133 0.000 2.342 596 Y HA 0.521 5.071 4.550 0.000 0.000 0.334 596 Y C 0.273 176.294 175.900 0.201 0.000 1.067 596 Y CA -0.590 57.626 58.100 0.193 0.000 1.128 596 Y CB 1.658 40.214 38.460 0.160 0.000 1.200 596 Y HN 0.244 nan 8.280 nan 0.000 0.464 597 A N 1.917 124.964 122.820 0.378 0.000 2.485 597 A HA 0.984 5.304 4.320 0.000 0.000 0.292 597 A C -0.429 177.335 177.584 0.299 0.000 1.147 597 A CA -0.097 52.081 52.037 0.235 0.000 0.750 597 A CB 1.729 20.688 19.000 -0.069 0.000 1.331 597 A HN 0.925 nan 8.150 nan 0.000 0.419 598 G N -1.405 107.671 108.800 0.461 0.000 2.341 598 G HA2 0.652 4.612 3.960 0.000 0.000 0.299 598 G HA3 0.652 4.612 3.960 0.000 0.000 0.299 598 G C -1.165 173.962 174.900 0.378 0.000 1.274 598 G CA 0.076 45.376 45.100 0.333 0.000 0.853 598 G HN 1.802 nan 8.290 nan 0.000 0.493 599 F N -1.460 118.486 119.950 -0.007 0.000 2.640 599 F HA 0.922 5.449 4.527 0.000 0.000 0.324 599 F C -1.061 174.791 175.800 0.087 0.000 1.077 599 F CA -1.601 56.368 58.000 -0.050 0.000 0.965 599 F CB 1.697 40.514 39.000 -0.305 0.000 1.351 599 F HN 0.411 nan 8.300 nan 0.000 0.487 600 I N 2.354 123.118 120.570 0.324 0.000 2.582 600 I HA 0.516 4.686 4.170 0.000 0.000 0.292 600 I C -0.978 175.379 176.117 0.400 0.000 1.066 600 I CA -0.990 60.411 61.300 0.169 0.000 1.053 600 I CB 1.733 39.710 38.000 -0.038 0.000 1.241 600 I HN 0.841 nan 8.210 nan 0.000 0.421 601 F N 1.244 121.303 119.950 0.183 0.000 2.643 601 F HA 0.769 5.297 4.527 0.000 0.000 0.314 601 F C 0.787 176.710 175.800 0.206 0.000 1.096 601 F CA -0.902 57.187 58.000 0.147 0.000 0.953 601 F CB 1.646 40.725 39.000 0.133 0.000 1.345 601 F HN 0.618 nan 8.300 nan 0.000 0.468 602 G N 0.663 109.624 108.800 0.267 0.000 2.258 602 G HA2 -0.367 3.593 3.960 0.000 0.000 0.274 602 G HA3 -0.367 3.593 3.960 0.000 0.000 0.274 602 G C -0.429 174.541 174.900 0.117 0.000 1.021 602 G CA 0.415 45.656 45.100 0.234 0.000 0.798 602 G HN 1.137 nan 8.290 nan 0.000 0.507 603 Y N 0.597 120.914 120.300 0.029 0.000 2.569 603 Y HA 0.335 4.885 4.550 0.000 0.000 0.332 603 Y C 1.486 177.384 175.900 -0.003 0.000 1.120 603 Y CA 1.002 59.107 58.100 0.007 0.000 1.416 603 Y CB 0.602 39.011 38.460 -0.084 0.000 1.210 603 Y HN 0.368 nan 8.280 nan 0.000 0.528 604 Q N 3.069 122.639 119.800 -0.383 0.000 2.511 604 Q HA 0.160 4.500 4.340 0.000 0.000 0.236 604 Q C -0.717 175.060 176.000 -0.371 0.000 0.893 604 Q CA 0.629 56.277 55.803 -0.259 0.000 0.947 604 Q CB 0.761 29.363 28.738 -0.227 0.000 1.110 604 Q HN 0.829 nan 8.270 nan 0.000 0.591 605 D N -1.959 117.982 120.400 -0.765 0.000 2.692 605 D HA 0.019 4.660 4.640 0.000 0.000 0.303 605 D C 0.035 175.979 176.300 -0.595 0.000 1.278 605 D CA -0.224 53.457 54.000 -0.533 0.000 0.852 605 D CB 0.196 40.852 40.800 -0.239 0.000 1.375 605 D HN -0.095 nan 8.370 nan 0.000 0.453 606 S N -1.188 114.455 115.700 -0.094 0.000 2.584 606 S HA -0.047 4.423 4.470 0.000 0.000 0.240 606 S C 0.766 175.418 174.600 0.088 0.000 0.975 606 S CA 0.998 59.264 58.200 0.110 0.000 0.949 606 S CB -0.594 62.647 63.200 0.070 0.000 0.761 606 S HN 0.372 nan 8.310 nan 0.000 0.536 607 S N 0.067 115.715 115.700 -0.087 0.000 2.604 607 S HA 0.323 4.793 4.470 0.000 0.000 0.235 607 S C -0.072 174.319 174.600 -0.350 0.000 1.043 607 S CA -0.504 57.589 58.200 -0.178 0.000 0.997 607 S CB 0.729 63.845 63.200 -0.139 0.000 0.956 607 S HN 0.417 nan 8.310 nan 0.000 0.535 608 S N 2.355 117.832 115.700 -0.372 0.000 2.756 608 S HA 0.789 5.259 4.470 0.000 0.000 0.303 608 S C -0.844 173.488 174.600 -0.447 0.000 1.135 608 S CA -0.780 57.139 58.200 -0.469 0.000 1.066 608 S CB 0.864 63.852 63.200 -0.354 0.000 1.008 608 S HN 0.454 nan 8.310 nan 0.000 0.482 609 F N -0.740 118.878 119.950 -0.553 0.000 2.799 609 F HA 0.598 5.125 4.527 0.000 0.000 0.316 609 F C -2.213 173.184 175.800 -0.672 0.000 1.155 609 F CA -1.685 55.984 58.000 -0.551 0.000 0.916 609 F CB 0.531 39.322 39.000 -0.348 0.000 1.294 609 F HN 0.349 nan 8.300 nan 0.000 0.447 610 Y N 1.240 121.354 120.300 -0.310 0.000 2.361 610 Y HA 0.682 5.232 4.550 0.000 0.000 0.332 610 Y C -0.278 175.412 175.900 -0.349 0.000 1.101 610 Y CA -1.120 56.620 58.100 -0.601 0.000 1.137 610 Y CB 1.978 39.535 38.460 -1.505 0.000 1.207 610 Y HN 0.687 nan 8.280 nan 0.000 0.463 611 V N 4.356 124.211 119.914 -0.098 0.000 2.709 611 V HA 0.629 4.749 4.120 0.000 0.000 0.308 611 V C -1.566 174.384 176.094 -0.239 0.000 1.062 611 V CA -0.711 61.490 62.300 -0.165 0.000 0.901 611 V CB 1.931 33.621 31.823 -0.221 0.000 1.003 611 V HN 0.513 nan 8.190 nan 0.000 0.425 612 V N 8.367 128.024 119.914 -0.428 0.000 2.347 612 V HA 0.547 4.667 4.120 0.000 0.000 0.280 612 V C 0.195 176.133 176.094 -0.259 0.000 1.021 612 V CA -0.337 61.715 62.300 -0.414 0.000 0.847 612 V CB 1.247 32.566 31.823 -0.839 0.000 0.990 612 V HN 0.953 nan 8.190 nan 0.000 0.444 613 M N 3.397 122.935 119.600 -0.104 0.000 2.602 613 M HA 0.790 5.270 4.480 0.000 0.000 0.312 613 M C -1.853 174.613 176.300 0.278 0.000 1.181 613 M CA -0.525 54.849 55.300 0.123 0.000 0.910 613 M CB 3.107 35.739 32.600 0.052 0.000 1.723 613 M HN 0.570 nan 8.290 nan 0.000 0.459 614 W N 2.376 123.801 121.300 0.209 0.000 3.129 614 W HA 0.652 5.312 4.660 0.000 0.000 0.333 614 W C -1.873 174.813 176.519 0.279 0.000 1.141 614 W CA -1.216 56.218 57.345 0.149 0.000 1.224 614 W CB 2.027 31.527 29.460 0.066 0.000 1.393 614 W HN 0.886 nan 8.180 nan 0.000 0.499 615 K N 3.640 124.154 120.400 0.190 0.000 2.426 615 K HA 0.186 4.506 4.320 0.000 0.000 0.254 615 K C 0.718 176.882 176.600 -0.727 0.000 0.936 615 K CA -0.305 55.738 56.287 -0.407 0.000 0.801 615 K CB 2.188 34.039 32.500 -1.081 0.000 1.139 615 K HN 0.624 nan 8.250 nan 0.000 0.424 616 Q N 3.128 122.141 119.800 -1.312 0.000 2.124 616 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 616 Q C -0.179 175.350 176.000 -0.785 0.000 0.977 616 Q CA 1.342 56.173 55.803 -1.619 0.000 0.850 616 Q CB 0.186 27.609 28.738 -2.192 0.000 0.901 616 Q HN 0.575 nan 8.270 nan 0.000 0.429 617 M N 0.757 120.015 119.600 -0.570 0.000 2.395 617 M HA 0.228 4.708 4.480 0.000 0.000 0.307 617 M C -1.503 174.636 176.300 -0.269 0.000 1.091 617 M CA -0.661 54.431 55.300 -0.347 0.000 0.919 617 M CB 2.160 34.604 32.600 -0.260 0.000 1.662 617 M HN 0.076 nan 8.290 nan 0.000 0.440 618 E N 2.987 123.076 120.200 -0.184 0.000 2.415 618 E HA 0.181 4.531 4.350 0.000 0.000 0.263 618 E C -1.240 175.339 176.600 -0.036 0.000 0.995 618 E CA 0.372 56.698 56.400 -0.123 0.000 0.915 618 E CB 0.618 30.270 29.700 -0.081 0.000 0.951 618 E HN 0.667 nan 8.360 nan 0.000 0.449 619 Q N 2.772 122.598 119.800 0.044 0.000 2.403 619 Q HA 0.196 4.536 4.340 0.000 0.000 0.267 619 Q C -1.622 174.626 176.000 0.414 0.000 0.991 619 Q CA -0.676 55.260 55.803 0.220 0.000 0.906 619 Q CB 1.850 30.778 28.738 0.317 0.000 1.422 619 Q HN 0.577 nan 8.270 nan 0.000 0.400 620 T N 3.398 118.144 114.554 0.320 0.000 2.729 620 T HA 0.149 4.500 4.350 0.000 0.000 0.296 620 T C -0.547 174.264 174.700 0.184 0.000 0.928 620 T CA -0.073 62.207 62.100 0.300 0.000 1.045 620 T CB -0.150 68.817 68.868 0.165 0.000 0.902 620 T HN 0.387 nan 8.240 nan 0.000 0.500 621 Y N 3.285 123.428 120.300 -0.261 0.000 2.903 621 Y HA 0.002 4.552 4.550 0.000 0.000 0.338 621 Y C 1.052 176.613 175.900 -0.565 0.000 1.265 621 Y CA -1.330 56.131 58.100 -1.066 0.000 1.532 621 Y CB 0.331 37.806 38.460 -1.643 0.000 1.293 621 Y HN 0.862 nan 8.280 nan 0.000 0.609 622 W N 1.822 122.542 121.300 -0.966 0.000 2.467 622 W HA 0.059 4.719 4.660 0.000 0.000 0.275 622 W C -0.020 176.153 176.519 -0.576 0.000 1.239 622 W CA 0.236 57.203 57.345 -0.630 0.000 1.266 622 W CB -0.569 28.592 29.460 -0.498 0.000 1.112 622 W HN 0.392 nan 8.180 nan 0.000 0.576 623 Q N 1.056 120.224 119.800 -1.054 0.000 2.361 623 Q HA 0.378 4.718 4.340 0.000 0.000 0.250 623 Q C 1.147 176.994 176.000 -0.256 0.000 1.023 623 Q CA 0.135 55.660 55.803 -0.463 0.000 0.915 623 Q CB 1.492 29.998 28.738 -0.387 0.000 1.238 623 Q HN 0.308 nan 8.270 nan 0.000 0.451 624 A N 3.823 126.558 122.820 -0.143 0.000 2.167 624 A HA -0.040 4.280 4.320 0.000 0.000 0.214 624 A C 0.365 177.907 177.584 -0.069 0.000 1.151 624 A CA 0.495 52.478 52.037 -0.089 0.000 0.735 624 A CB 0.003 18.978 19.000 -0.041 0.000 0.802 624 A HN 0.668 nan 8.150 nan 0.000 0.467 625 N N -0.149 118.510 118.700 -0.068 0.000 2.487 625 N HA 0.361 5.101 4.740 0.000 0.000 0.292 625 N C -2.116 173.346 175.510 -0.081 0.000 1.108 625 N CA -1.627 51.400 53.050 -0.039 0.000 0.956 625 N CB 1.595 40.077 38.487 -0.008 0.000 1.176 625 N HN -0.054 nan 8.380 nan 0.000 0.484 626 P HA 0.042 nan 4.420 nan 0.000 0.240 626 P C -0.877 176.545 177.300 0.203 0.000 1.190 626 P CA 0.799 63.953 63.100 0.089 0.000 0.781 626 P CB -0.002 31.802 31.700 0.174 0.000 0.931 627 F N -2.802 117.142 119.950 -0.011 0.000 2.741 627 F HA 0.552 5.079 4.527 0.000 0.000 0.313 627 F C -0.570 175.224 175.800 -0.009 0.000 1.153 627 F CA -2.252 55.734 58.000 -0.023 0.000 0.931 627 F CB 0.757 39.724 39.000 -0.054 0.000 1.335 627 F HN -0.432 nan 8.300 nan 0.000 0.460 628 R N 1.803 122.376 120.500 0.122 0.000 2.288 628 R HA 0.676 5.016 4.340 0.000 0.000 0.330 628 R C -1.065 175.282 176.300 0.079 0.000 1.069 628 R CA 0.013 56.142 56.100 0.049 0.000 0.941 628 R CB 0.249 30.616 30.300 0.111 0.000 0.998 628 R HN 0.958 nan 8.270 nan 0.000 0.452 629 A N 5.407 128.217 122.820 -0.017 0.000 2.273 629 A HA 0.304 4.624 4.320 0.000 0.000 0.320 629 A C -0.721 177.180 177.584 0.528 0.000 1.358 629 A CA -0.696 51.494 52.037 0.255 0.000 0.910 629 A CB 1.237 20.241 19.000 0.006 0.000 1.159 629 A HN 0.611 nan 8.150 nan 0.000 0.526 630 V N 3.149 123.475 119.914 0.686 0.000 2.427 630 V HA 0.780 4.901 4.120 0.000 0.000 0.286 630 V C 0.235 176.455 176.094 0.211 0.000 1.034 630 V CA -0.030 62.529 62.300 0.431 0.000 0.893 630 V CB 1.107 33.091 31.823 0.268 0.000 0.982 630 V HN 1.261 nan 8.190 nan 0.000 0.452 631 A N 5.715 128.641 122.820 0.177 0.000 2.317 631 A HA 0.804 5.124 4.320 0.000 0.000 0.327 631 A C -0.224 177.256 177.584 -0.174 0.000 1.178 631 A CA -0.719 51.221 52.037 -0.161 0.000 0.817 631 A CB 0.787 19.360 19.000 -0.713 0.000 1.189 631 A HN 0.921 nan 8.150 nan 0.000 0.489 632 E N 2.689 122.777 120.200 -0.186 0.000 2.235 632 E HA 0.482 4.832 4.350 0.000 0.000 0.265 632 E C -2.598 173.885 176.600 -0.195 0.000 0.940 632 E CA -2.100 54.198 56.400 -0.170 0.000 0.819 632 E CB 1.605 31.221 29.700 -0.140 0.000 1.206 632 E HN 0.501 nan 8.360 nan 0.000 0.409 633 P HA 0.207 nan 4.420 nan 0.000 0.274 633 P C -0.181 177.091 177.300 -0.047 0.000 1.231 633 P CA 0.079 63.096 63.100 -0.138 0.000 0.790 633 P CB 0.765 32.376 31.700 -0.150 0.000 0.951 634 G N 2.122 110.999 108.800 0.129 0.000 3.069 634 G HA2 -0.071 3.890 3.960 0.000 0.000 0.686 634 G HA3 -0.071 3.890 3.960 0.000 0.000 0.686 634 G C -0.451 174.200 174.900 -0.415 0.000 1.161 634 G CA -0.907 44.117 45.100 -0.127 0.000 0.804 634 G HN 0.472 nan 8.290 nan 0.000 0.608 635 I N 1.112 121.168 120.570 -0.856 0.000 2.845 635 I HA 0.057 4.228 4.170 0.000 0.000 0.296 635 I C 0.803 176.560 176.117 -0.600 0.000 1.216 635 I CA 0.813 61.571 61.300 -0.904 0.000 1.438 635 I CB 0.208 37.553 38.000 -1.092 0.000 1.342 635 I HN 0.576 nan 8.210 nan 0.000 0.577 636 Q N 4.504 124.113 119.800 -0.319 0.000 2.353 636 Q HA 0.556 4.897 4.340 0.000 0.000 0.268 636 Q C -1.033 174.944 176.000 -0.039 0.000 1.045 636 Q CA -0.902 54.770 55.803 -0.220 0.000 0.811 636 Q CB 2.948 31.604 28.738 -0.138 0.000 1.305 636 Q HN 0.462 nan 8.270 nan 0.000 0.447 637 L N 2.403 123.688 121.223 0.104 0.000 2.272 637 L HA 0.463 4.803 4.340 0.000 0.000 0.289 637 L C -1.279 175.626 176.870 0.058 0.000 1.032 637 L CA 0.203 55.135 54.840 0.153 0.000 0.810 637 L CB 0.702 42.950 42.059 0.315 0.000 1.205 637 L HN 0.445 nan 8.230 nan 0.000 0.422 638 K N 4.035 124.431 120.400 -0.006 0.000 2.371 638 K HA 0.817 5.137 4.320 0.000 0.000 0.251 638 K C -1.076 175.498 176.600 -0.044 0.000 0.934 638 K CA -0.806 55.452 56.287 -0.050 0.000 0.798 638 K CB 2.032 34.450 32.500 -0.135 0.000 1.204 638 K HN 0.707 nan 8.250 nan 0.000 0.427 639 A N 2.177 124.959 122.820 -0.063 0.000 2.274 639 A HA 0.471 4.791 4.320 0.000 0.000 0.309 639 A C -0.599 176.763 177.584 -0.369 0.000 1.226 639 A CA -0.574 51.346 52.037 -0.196 0.000 0.853 639 A CB 0.572 19.520 19.000 -0.087 0.000 1.146 639 A HN 0.410 nan 8.150 nan 0.000 0.518 640 V N 3.404 122.944 119.914 -0.624 0.000 2.313 640 V HA 0.376 4.496 4.120 0.000 0.000 0.278 640 V C -0.069 175.619 176.094 -0.676 0.000 1.017 640 V CA -0.433 61.435 62.300 -0.721 0.000 0.823 640 V CB 0.989 32.081 31.823 -1.218 0.000 1.010 640 V HN 0.822 nan 8.190 nan 0.000 0.443 641 K N 3.066 123.199 120.400 -0.446 0.000 2.679 641 K HA 0.363 4.683 4.320 0.000 0.000 0.188 641 K C -0.054 176.389 176.600 -0.263 0.000 1.055 641 K CA 0.081 56.157 56.287 -0.351 0.000 1.006 641 K CB 1.051 33.386 32.500 -0.275 0.000 1.317 641 K HN 0.600 nan 8.250 nan 0.000 0.584 642 S N 0.823 116.361 115.700 -0.269 0.000 2.528 642 S HA 0.085 4.556 4.470 0.000 0.000 0.277 642 S C 1.028 175.547 174.600 -0.135 0.000 1.297 642 S CA 0.091 58.183 58.200 -0.180 0.000 1.052 642 S CB 0.603 63.709 63.200 -0.156 0.000 0.917 642 S HN 0.584 nan 8.310 nan 0.000 0.492 643 S N 2.751 118.389 115.700 -0.103 0.000 2.593 643 S HA 0.018 4.488 4.470 0.000 0.000 0.217 643 S C 1.250 175.817 174.600 -0.055 0.000 0.966 643 S CA 0.652 58.804 58.200 -0.079 0.000 0.914 643 S CB -0.307 62.850 63.200 -0.072 0.000 0.776 643 S HN 0.869 nan 8.310 nan 0.000 0.523 644 T N -3.053 111.473 114.554 -0.047 0.000 2.964 644 T HA 0.569 4.919 4.350 0.000 0.000 0.249 644 T C 1.255 175.953 174.700 -0.003 0.000 1.000 644 T CA 0.448 62.537 62.100 -0.019 0.000 0.992 644 T CB -0.175 68.688 68.868 -0.008 0.000 1.087 644 T HN 1.312 nan 8.240 nan 0.000 0.489 645 G N 2.261 111.048 108.800 -0.020 0.000 2.796 645 G HA2 0.002 3.962 3.960 0.000 0.000 0.571 645 G HA3 0.002 3.962 3.960 0.000 0.000 0.571 645 G C -2.898 172.008 174.900 0.009 0.000 1.370 645 G CA -0.874 44.226 45.100 0.000 0.000 0.856 645 G HN 0.389 nan 8.290 nan 0.000 0.538 646 P HA 0.348 nan 4.420 nan 0.000 0.255 646 P C 0.734 178.034 177.300 -0.001 0.000 1.151 646 P CA 2.137 65.241 63.100 0.006 0.000 0.767 646 P CB 0.167 31.857 31.700 -0.016 0.000 0.736 647 G N 2.281 111.079 108.800 -0.003 0.000 2.313 647 G HA2 0.032 3.993 3.960 0.000 0.000 0.296 647 G HA3 0.032 3.993 3.960 0.000 0.000 0.296 647 G C 0.426 175.327 174.900 0.002 0.000 1.356 647 G CA -0.436 44.667 45.100 0.004 0.000 0.833 647 G HN 0.349 nan 8.290 nan 0.000 0.552 648 E N -0.733 119.475 120.200 0.014 0.000 2.164 648 E HA -0.287 4.063 4.350 0.000 0.000 0.206 648 E C 2.115 178.732 176.600 0.028 0.000 1.032 648 E CA 2.348 58.758 56.400 0.017 0.000 0.832 648 E CB 0.072 29.789 29.700 0.029 0.000 0.742 648 E HN 0.430 nan 8.360 nan 0.000 0.460 649 Q N -0.189 119.646 119.800 0.059 0.000 2.008 649 Q HA -0.112 4.228 4.340 0.000 0.000 0.196 649 Q C 2.370 178.444 176.000 0.122 0.000 0.973 649 Q CA 0.695 56.576 55.803 0.130 0.000 0.826 649 Q CB -0.535 28.258 28.738 0.092 0.000 0.894 649 Q HN 0.302 nan 8.270 nan 0.000 0.439 650 L N 1.656 122.905 121.223 0.044 0.000 2.129 650 L HA -0.200 4.140 4.340 0.000 0.000 0.212 650 L C 2.439 179.308 176.870 -0.000 0.000 1.087 650 L CA 1.700 56.546 54.840 0.009 0.000 0.757 650 L CB -0.517 41.531 42.059 -0.018 0.000 0.896 650 L HN 0.141 nan 8.230 nan 0.000 0.434 651 R N -0.638 119.841 120.500 -0.035 0.000 2.070 651 R HA -0.165 4.176 4.340 0.000 0.000 0.227 651 R C 2.015 178.265 176.300 -0.082 0.000 1.147 651 R CA 1.817 57.845 56.100 -0.119 0.000 0.924 651 R CB -0.345 29.871 30.300 -0.140 0.000 0.827 651 R HN 0.367 nan 8.270 nan 0.000 0.431 652 N N 0.566 119.168 118.700 -0.164 0.000 2.272 652 N HA -0.155 4.585 4.740 0.000 0.000 0.185 652 N C 1.438 176.979 175.510 0.051 0.000 1.014 652 N CA 1.485 54.348 53.050 -0.312 0.000 0.870 652 N CB -0.288 37.660 38.487 -0.897 0.000 0.975 652 N HN 0.374 nan 8.380 nan 0.000 0.433 653 A N 0.304 123.282 122.820 0.264 0.000 1.930 653 A HA -0.017 4.304 4.320 0.000 0.000 0.217 653 A C 2.173 179.877 177.584 0.200 0.000 1.175 653 A CA 0.867 53.117 52.037 0.356 0.000 0.627 653 A CB -0.564 18.555 19.000 0.198 0.000 0.815 653 A HN 0.233 nan 8.150 nan 0.000 0.443 654 L N -1.888 119.402 121.223 0.112 0.000 2.156 654 L HA -0.129 4.211 4.340 0.000 0.000 0.208 654 L C 2.545 179.471 176.870 0.094 0.000 1.095 654 L CA 0.822 55.683 54.840 0.036 0.000 0.770 654 L CB -0.359 41.710 42.059 0.016 0.000 0.914 654 L HN 0.768 nan 8.230 nan 0.000 0.439 655 W N 0.543 121.877 121.300 0.056 0.000 2.436 655 W HA -0.113 4.547 4.660 0.000 0.000 0.284 655 W C 0.816 177.430 176.519 0.160 0.000 1.225 655 W CA 0.593 57.986 57.345 0.079 0.000 1.271 655 W CB -0.115 29.282 29.460 -0.106 0.000 1.114 655 W HN 0.121 nan 8.180 nan 0.000 0.559 656 H N 0.991 120.254 119.070 0.320 0.000 2.722 656 H HA 0.112 4.669 4.556 0.000 0.000 0.328 656 H C -0.367 175.046 175.328 0.141 0.000 1.067 656 H CA 0.838 57.055 56.048 0.281 0.000 1.447 656 H CB 1.070 31.039 29.762 0.344 0.000 1.469 656 H HN -0.348 nan 8.280 nan 0.000 0.544 657 T N 5.056 119.358 114.554 -0.420 0.000 2.987 657 T HA 0.485 4.835 4.350 0.000 0.000 0.288 657 T C 0.399 174.913 174.700 -0.309 0.000 0.981 657 T CA 0.405 62.337 62.100 -0.281 0.000 1.031 657 T CB -0.370 68.367 68.868 -0.219 0.000 0.976 657 T HN 0.891 nan 8.240 nan 0.000 0.612 658 G N 2.563 111.339 108.800 -0.041 0.000 2.351 658 G HA2 0.297 4.257 3.960 0.000 0.000 0.279 658 G HA3 0.297 4.257 3.960 0.000 0.000 0.279 658 G C -2.230 172.763 174.900 0.155 0.000 1.297 658 G CA -0.939 44.218 45.100 0.095 0.000 0.886 658 G HN 0.376 nan 8.290 nan 0.000 0.493 659 D N 0.707 121.177 120.400 0.118 0.000 2.163 659 D HA 0.644 5.284 4.640 0.000 0.000 0.248 659 D C -0.278 176.009 176.300 -0.021 0.000 1.035 659 D CA 0.144 54.163 54.000 0.030 0.000 0.872 659 D CB 1.646 42.441 40.800 -0.007 0.000 1.183 659 D HN 0.418 nan 8.370 nan 0.000 0.445 660 T N 0.878 115.391 114.554 -0.068 0.000 2.833 660 T HA 0.128 4.478 4.350 0.000 0.000 0.297 660 T C 1.077 175.673 174.700 -0.172 0.000 1.015 660 T CA -0.650 61.344 62.100 -0.178 0.000 0.963 660 T CB 1.854 70.619 68.868 -0.173 0.000 0.955 660 T HN 0.206 nan 8.240 nan 0.000 0.449 661 E N 2.584 122.668 120.200 -0.194 0.000 2.200 661 E HA -0.226 4.124 4.350 0.000 0.000 0.211 661 E C 1.435 177.961 176.600 -0.123 0.000 1.048 661 E CA 1.771 58.084 56.400 -0.144 0.000 0.851 661 E CB -0.122 29.493 29.700 -0.142 0.000 0.747 661 E HN 0.574 nan 8.360 nan 0.000 0.462 662 S N -1.389 114.234 115.700 -0.128 0.000 2.624 662 S HA 0.219 4.689 4.470 0.000 0.000 0.246 662 S C 0.185 174.717 174.600 -0.114 0.000 1.072 662 S CA -0.468 57.667 58.200 -0.108 0.000 1.045 662 S CB 0.044 63.189 63.200 -0.090 0.000 0.851 662 S HN 0.162 nan 8.310 nan 0.000 0.480 663 Q N -0.487 119.238 119.800 -0.124 0.000 2.170 663 Q HA 0.379 4.720 4.340 0.000 0.000 0.165 663 Q C -0.373 175.527 176.000 -0.166 0.000 0.599 663 Q CA 0.557 56.282 55.803 -0.129 0.000 0.844 663 Q CB 0.785 29.476 28.738 -0.078 0.000 1.139 663 Q HN 0.291 nan 8.270 nan 0.000 0.388 664 V N 1.667 121.503 119.914 -0.130 0.000 2.888 664 V HA 0.502 4.622 4.120 0.000 0.000 0.309 664 V C -0.988 175.048 176.094 -0.096 0.000 1.114 664 V CA -0.711 61.504 62.300 -0.141 0.000 0.940 664 V CB 2.722 34.479 31.823 -0.110 0.000 1.021 664 V HN 0.145 nan 8.190 nan 0.000 0.426 665 R N 2.871 123.312 120.500 -0.098 0.000 2.480 665 R HA 0.528 4.868 4.340 0.000 0.000 0.306 665 R C -0.963 175.317 176.300 -0.033 0.000 0.958 665 R CA -0.752 55.317 56.100 -0.052 0.000 0.861 665 R CB 2.089 32.362 30.300 -0.045 0.000 1.171 665 R HN 0.566 nan 8.270 nan 0.000 0.445 666 L N 6.527 127.741 121.223 -0.015 0.000 2.401 666 L HA 0.116 4.456 4.340 0.000 0.000 0.283 666 L C 0.922 177.805 176.870 0.022 0.000 1.151 666 L CA 0.098 54.930 54.840 -0.013 0.000 0.942 666 L CB 0.300 42.342 42.059 -0.030 0.000 1.283 666 L HN 0.795 nan 8.230 nan 0.000 0.442 667 L N 4.360 125.618 121.223 0.058 0.000 2.093 667 L HA -0.051 4.289 4.340 0.000 0.000 0.208 667 L C 0.357 177.338 176.870 0.184 0.000 1.085 667 L CA 1.214 56.116 54.840 0.103 0.000 0.755 667 L CB -0.332 41.794 42.059 0.111 0.000 0.904 667 L HN 0.556 nan 8.230 nan 0.000 0.435 668 W N 0.185 121.463 121.300 -0.037 0.000 3.167 668 W HA 0.522 5.182 4.660 0.000 0.000 0.324 668 W C -1.030 175.452 176.519 -0.061 0.000 1.230 668 W CA -1.230 56.090 57.345 -0.043 0.000 1.184 668 W CB 1.255 30.689 29.460 -0.042 0.000 1.414 668 W HN -0.316 nan 8.180 nan 0.000 0.551 669 K N 3.381 123.119 120.400 -1.103 0.000 2.502 669 K HA 0.281 4.602 4.320 0.000 0.000 0.257 669 K C -1.474 174.117 176.600 -1.681 0.000 0.938 669 K CA -0.689 54.858 56.287 -1.232 0.000 0.819 669 K CB 1.817 33.973 32.500 -0.573 0.000 1.333 669 K HN 0.420 nan 8.250 nan 0.000 0.434 670 D N 4.326 123.895 120.400 -1.386 0.000 2.339 670 D HA 0.149 4.789 4.640 0.000 0.000 0.256 670 D C -1.743 174.336 176.300 -0.368 0.000 1.214 670 D CA -2.121 51.419 54.000 -0.767 0.000 0.877 670 D CB 1.564 42.027 40.800 -0.561 0.000 1.111 670 D HN 0.280 nan 8.370 nan 0.000 0.478 671 P HA -0.090 nan 4.420 nan 0.000 0.221 671 P C 1.134 178.387 177.300 -0.078 0.000 1.145 671 P CA 0.803 63.840 63.100 -0.104 0.000 0.795 671 P CB 0.201 31.893 31.700 -0.014 0.000 0.775 672 R N -1.104 119.356 120.500 -0.066 0.000 2.120 672 R HA -0.094 4.246 4.340 0.000 0.000 0.234 672 R C 0.627 176.895 176.300 -0.054 0.000 1.123 672 R CA 0.862 56.941 56.100 -0.036 0.000 0.975 672 R CB -0.996 29.300 30.300 -0.008 0.000 0.866 672 R HN 0.128 nan 8.270 nan 0.000 0.446 673 N N -0.438 118.201 118.700 -0.102 0.000 2.740 673 N HA -0.151 4.590 4.740 0.000 0.000 0.248 673 N C -1.693 173.788 175.510 -0.048 0.000 1.062 673 N CA 0.406 53.396 53.050 -0.099 0.000 0.704 673 N CB -0.556 37.876 38.487 -0.092 0.000 0.968 673 N HN -0.072 nan 8.380 nan 0.000 0.547 674 V N 0.229 120.143 119.914 0.001 0.000 2.417 674 V HA 0.728 4.848 4.120 0.000 0.000 0.291 674 V C 1.454 177.681 176.094 0.222 0.000 1.024 674 V CA -0.156 62.187 62.300 0.072 0.000 0.861 674 V CB 1.475 33.361 31.823 0.105 0.000 0.985 674 V HN 0.371 nan 8.190 nan 0.000 0.436 675 G N 4.445 113.268 108.800 0.038 0.000 2.651 675 G HA2 0.267 4.227 3.960 0.000 0.000 0.260 675 G HA3 0.267 4.227 3.960 0.000 0.000 0.260 675 G C -0.124 174.557 174.900 -0.365 0.000 1.216 675 G CA -0.579 44.399 45.100 -0.203 0.000 0.913 675 G HN 0.795 nan 8.290 nan 0.000 0.535 676 W N -0.327 120.395 121.300 -0.964 0.000 2.313 676 W HA 0.553 5.213 4.660 0.000 0.000 0.328 676 W C -0.290 175.995 176.519 -0.390 0.000 1.197 676 W CA -1.073 55.630 57.345 -1.069 0.000 1.235 676 W CB 0.528 29.027 29.460 -1.601 0.000 1.158 676 W HN 0.131 nan 8.180 nan 0.000 0.578 677 K N 2.087 122.622 120.400 0.225 0.000 2.144 677 K HA 0.076 4.397 4.320 0.000 0.000 0.270 677 K C -0.083 176.637 176.600 0.201 0.000 1.005 677 K CA -0.763 55.604 56.287 0.134 0.000 0.932 677 K CB 0.854 33.410 32.500 0.095 0.000 1.021 677 K HN 0.326 nan 8.250 nan 0.000 0.462 678 D N 2.884 123.361 120.400 0.129 0.000 2.506 678 D HA -0.073 4.567 4.640 0.000 0.000 0.234 678 D C 0.500 176.786 176.300 -0.024 0.000 1.143 678 D CA 0.713 54.779 54.000 0.110 0.000 0.871 678 D CB 0.451 41.286 40.800 0.058 0.000 1.190 678 D HN 0.398 nan 8.370 nan 0.000 0.459 679 K N -0.284 120.069 120.400 -0.078 0.000 2.905 679 K HA -0.292 4.028 4.320 0.000 0.000 0.256 679 K C 0.315 176.689 176.600 -0.376 0.000 1.008 679 K CA 0.920 57.145 56.287 -0.104 0.000 0.752 679 K CB -1.080 31.440 32.500 0.032 0.000 1.216 679 K HN 0.459 nan 8.250 nan 0.000 0.479 680 K N 0.765 120.844 120.400 -0.534 0.000 2.123 680 K HA 0.331 4.651 4.320 0.000 0.000 0.248 680 K C -0.673 175.380 176.600 -0.911 0.000 0.969 680 K CA -0.449 55.487 56.287 -0.586 0.000 0.882 680 K CB 1.632 33.911 32.500 -0.368 0.000 1.080 680 K HN -0.002 nan 8.250 nan 0.000 0.441 681 S N 1.891 117.172 115.700 -0.697 0.000 2.596 681 S HA 0.475 4.945 4.470 0.000 0.000 0.318 681 S C -1.809 172.583 174.600 -0.348 0.000 1.097 681 S CA -0.573 57.408 58.200 -0.365 0.000 1.080 681 S CB 0.183 63.378 63.200 -0.010 0.000 0.991 681 S HN 0.458 nan 8.310 nan 0.000 0.471 682 Y N 2.007 122.389 120.300 0.138 0.000 2.446 682 Y HA 0.668 5.218 4.550 0.000 0.000 0.345 682 Y C 0.200 176.361 175.900 0.435 0.000 0.984 682 Y CA -1.111 57.227 58.100 0.396 0.000 1.058 682 Y CB 1.262 40.157 38.460 0.726 0.000 1.220 682 Y HN 0.552 nan 8.280 nan 0.000 0.455 683 R N 2.394 123.219 120.500 0.542 0.000 2.393 683 R HA 0.500 4.840 4.340 0.000 0.000 0.310 683 R C -1.831 174.680 176.300 0.352 0.000 0.968 683 R CA -0.762 55.510 56.100 0.286 0.000 0.867 683 R CB 0.668 31.016 30.300 0.080 0.000 1.124 683 R HN 0.729 nan 8.270 nan 0.000 0.450 684 W N 4.950 126.259 121.300 0.016 0.000 2.689 684 W HA 0.644 5.304 4.660 0.000 0.000 0.340 684 W C -1.968 174.418 176.519 -0.221 0.000 1.060 684 W CA -1.659 55.478 57.345 -0.346 0.000 1.218 684 W CB 0.803 29.890 29.460 -0.623 0.000 1.410 684 W HN 0.400 nan 8.180 nan 0.000 0.528 685 F N 6.124 126.017 119.950 -0.096 0.000 2.659 685 F HA 0.520 5.047 4.527 0.000 0.000 0.342 685 F C -1.684 174.105 175.800 -0.018 0.000 1.168 685 F CA -1.724 56.227 58.000 -0.081 0.000 1.003 685 F CB 1.017 40.003 39.000 -0.024 0.000 1.267 685 F HN 0.493 nan 8.300 nan 0.000 0.463 686 L N 5.308 126.301 121.223 -0.383 0.000 2.343 686 L HA 0.646 4.986 4.340 0.000 0.000 0.275 686 L C -1.228 175.242 176.870 -0.666 0.000 1.056 686 L CA 0.036 54.627 54.840 -0.415 0.000 0.804 686 L CB 1.754 43.702 42.059 -0.184 0.000 1.203 686 L HN 0.688 nan 8.230 nan 0.000 0.440 687 Q N 2.837 122.336 119.800 -0.501 0.000 2.292 687 Q HA 0.385 4.725 4.340 0.000 0.000 0.270 687 Q C -1.741 174.189 176.000 -0.117 0.000 1.024 687 Q CA -0.663 54.961 55.803 -0.298 0.000 0.768 687 Q CB 1.738 30.386 28.738 -0.151 0.000 1.250 687 Q HN 0.716 nan 8.270 nan 0.000 0.447 688 H N 2.210 121.179 119.070 -0.167 0.000 2.667 688 H HA 0.496 5.052 4.556 0.000 0.000 0.353 688 H C -1.302 174.040 175.328 0.023 0.000 1.072 688 H CA -0.748 55.247 56.048 -0.088 0.000 1.214 688 H CB 0.992 30.697 29.762 -0.095 0.000 1.600 688 H HN 0.376 nan 8.280 nan 0.000 0.527 689 R N 5.869 126.243 120.500 -0.210 0.000 2.629 689 R HA 0.202 4.542 4.340 0.000 0.000 0.275 689 R C -2.357 173.742 176.300 -0.334 0.000 1.719 689 R CA -1.991 53.962 56.100 -0.244 0.000 1.472 689 R CB 0.828 31.037 30.300 -0.152 0.000 1.237 689 R HN 0.546 nan 8.270 nan 0.000 0.589 690 P HA -0.224 nan 4.420 nan 0.000 0.218 690 P C 1.356 178.595 177.300 -0.101 0.000 1.148 690 P CA 1.181 64.115 63.100 -0.277 0.000 0.822 690 P CB 0.392 31.999 31.700 -0.155 0.000 0.784 691 Q N -0.528 119.205 119.800 -0.111 0.000 2.112 691 Q HA -0.123 4.218 4.340 0.000 0.000 0.206 691 Q C 1.769 177.724 176.000 -0.074 0.000 0.987 691 Q CA 1.617 57.374 55.803 -0.075 0.000 0.858 691 Q CB -1.523 27.165 28.738 -0.085 0.000 0.905 691 Q HN 0.220 nan 8.270 nan 0.000 0.420 692 V N 0.334 120.170 119.914 -0.129 0.000 3.427 692 V HA 0.315 4.436 4.120 0.000 0.000 0.305 692 V C 0.796 176.872 176.094 -0.030 0.000 1.412 692 V CA 0.695 62.911 62.300 -0.141 0.000 1.086 692 V CB 0.027 31.582 31.823 -0.446 0.000 0.964 692 V HN 0.622 nan 8.190 nan 0.000 0.439 693 G N 0.645 109.451 108.800 0.010 0.000 2.249 693 G HA2 -0.338 3.622 3.960 0.000 0.000 0.273 693 G HA3 -0.338 3.622 3.960 0.000 0.000 0.273 693 G C -0.104 174.857 174.900 0.102 0.000 1.036 693 G CA 0.684 45.838 45.100 0.090 0.000 0.824 693 G HN 0.695 nan 8.290 nan 0.000 0.504 694 Y N 0.154 120.410 120.300 -0.072 0.000 2.327 694 Y HA 0.669 5.219 4.550 0.000 0.000 0.336 694 Y C 0.358 176.256 175.900 -0.003 0.000 1.035 694 Y CA -1.044 57.011 58.100 -0.075 0.000 1.165 694 Y CB 0.565 38.913 38.460 -0.188 0.000 1.181 694 Y HN 0.196 nan 8.280 nan 0.000 0.494 695 I N 7.291 127.543 120.570 -0.530 0.000 2.582 695 I HA 0.545 4.715 4.170 0.000 0.000 0.292 695 I C -0.773 174.921 176.117 -0.705 0.000 1.066 695 I CA -1.102 59.922 61.300 -0.459 0.000 1.053 695 I CB 1.981 39.802 38.000 -0.299 0.000 1.241 695 I HN 0.471 nan 8.210 nan 0.000 0.421 696 R N 4.809 124.980 120.500 -0.548 0.000 2.523 696 R HA 0.555 4.896 4.340 0.000 0.000 0.278 696 R C -1.896 174.195 176.300 -0.349 0.000 1.150 696 R CA -0.460 55.362 56.100 -0.463 0.000 0.987 696 R CB 2.313 32.384 30.300 -0.383 0.000 1.232 696 R HN 0.518 nan 8.270 nan 0.000 0.424 697 V N 1.047 120.763 119.914 -0.329 0.000 2.735 697 V HA 0.771 4.891 4.120 0.000 0.000 0.310 697 V C -0.573 175.431 176.094 -0.149 0.000 1.061 697 V CA -1.070 61.106 62.300 -0.206 0.000 0.913 697 V CB 2.354 34.149 31.823 -0.047 0.000 1.005 697 V HN 0.635 nan 8.190 nan 0.000 0.428 698 R N 2.753 123.214 120.500 -0.064 0.000 2.740 698 R HA 0.803 5.143 4.340 0.000 0.000 0.282 698 R C -1.629 174.616 176.300 -0.092 0.000 0.969 698 R CA -0.331 55.778 56.100 0.015 0.000 0.918 698 R CB 2.247 32.641 30.300 0.157 0.000 1.175 698 R HN 0.776 nan 8.270 nan 0.000 0.464 699 F N 2.018 122.017 119.950 0.082 0.000 2.507 699 F HA 0.450 4.977 4.527 0.000 0.000 0.325 699 F C -0.795 175.024 175.800 0.031 0.000 1.116 699 F CA -0.524 57.602 58.000 0.210 0.000 0.930 699 F CB 1.449 40.547 39.000 0.163 0.000 1.146 699 F HN 0.353 nan 8.300 nan 0.000 0.447 700 Y N 1.052 121.613 120.300 0.435 0.000 2.341 700 Y HA 0.344 4.894 4.550 0.000 0.000 0.338 700 Y C -0.265 175.874 175.900 0.398 0.000 0.965 700 Y CA -1.249 57.047 58.100 0.326 0.000 1.108 700 Y CB 1.666 40.240 38.460 0.191 0.000 1.180 700 Y HN 0.525 nan 8.280 nan 0.000 0.458 701 E N 2.702 123.170 120.200 0.446 0.000 2.109 701 E HA 0.596 4.947 4.350 0.000 0.000 0.278 701 E C 0.749 177.435 176.600 0.143 0.000 0.954 701 E CA -0.321 56.247 56.400 0.279 0.000 0.779 701 E CB 1.060 30.937 29.700 0.296 0.000 1.093 701 E HN 0.822 nan 8.360 nan 0.000 0.401 702 G N 4.869 113.693 108.800 0.041 0.000 2.582 702 G HA2 -0.300 3.661 3.960 0.000 0.000 0.288 702 G HA3 -0.300 3.661 3.960 0.000 0.000 0.288 702 G C -1.313 173.641 174.900 0.091 0.000 1.247 702 G CA -0.011 45.090 45.100 0.002 0.000 0.972 702 G HN 0.638 nan 8.290 nan 0.000 0.557 703 P HA 0.120 nan 4.420 nan 0.000 0.241 703 P C 0.507 177.988 177.300 0.302 0.000 1.191 703 P CA 1.493 64.701 63.100 0.180 0.000 0.771 703 P CB -0.097 31.728 31.700 0.209 0.000 0.929 704 E N 0.600 120.961 120.200 0.269 0.000 2.216 704 E HA 0.317 4.668 4.350 0.000 0.000 0.279 704 E C -0.644 176.088 176.600 0.219 0.000 0.997 704 E CA -1.255 55.293 56.400 0.247 0.000 0.817 704 E CB 1.218 31.015 29.700 0.161 0.000 1.096 704 E HN -0.114 nan 8.360 nan 0.000 0.393 705 L N 4.294 125.554 121.223 0.061 0.000 2.453 705 L HA 0.055 4.395 4.340 0.000 0.000 0.272 705 L C 0.399 177.227 176.870 -0.070 0.000 1.182 705 L CA 0.327 54.974 54.840 -0.322 0.000 0.858 705 L CB 1.321 43.165 42.059 -0.359 0.000 1.120 705 L HN 0.698 nan 8.230 nan 0.000 0.474 706 V N 1.300 121.200 119.914 -0.024 0.000 3.408 706 V HA 0.720 4.840 4.120 0.000 0.000 0.263 706 V C 0.332 176.493 176.094 0.111 0.000 1.503 706 V CA 0.411 62.770 62.300 0.098 0.000 1.046 706 V CB -0.241 31.701 31.823 0.199 0.000 0.851 706 V HN 0.920 nan 8.190 nan 0.000 0.435 707 A N 0.431 123.331 122.820 0.133 0.000 2.488 707 A HA 0.780 5.100 4.320 0.000 0.000 0.298 707 A C -2.082 175.608 177.584 0.177 0.000 1.044 707 A CA -0.049 52.118 52.037 0.217 0.000 0.693 707 A CB 2.014 21.177 19.000 0.272 0.000 1.272 707 A HN 0.286 nan 8.150 nan 0.000 0.402 708 D N 1.051 121.518 120.400 0.111 0.000 2.788 708 D HA 0.377 5.017 4.640 0.000 0.000 0.247 708 D C 1.070 177.136 176.300 -0.389 0.000 1.236 708 D CA 0.341 54.279 54.000 -0.104 0.000 0.898 708 D CB 2.107 42.875 40.800 -0.053 0.000 1.401 708 D HN 0.431 nan 8.370 nan 0.000 0.549 709 S N 3.177 118.290 115.700 -0.978 0.000 2.453 709 S HA -0.036 4.434 4.470 0.000 0.000 0.231 709 S C 0.980 175.125 174.600 -0.759 0.000 1.005 709 S CA 0.403 57.580 58.200 -1.705 0.000 0.949 709 S CB -0.437 61.786 63.200 -1.627 0.000 0.774 709 S HN 0.718 nan 8.310 nan 0.000 0.510 710 N N -0.497 117.953 118.700 -0.417 0.000 6.832 710 N HA -0.200 4.540 4.740 0.000 0.000 0.417 710 N C -0.521 174.810 175.510 -0.298 0.000 0.938 710 N CA 0.928 53.843 53.050 -0.225 0.000 1.317 710 N CB -0.904 37.518 38.487 -0.108 0.000 0.820 710 N HN 0.570 nan 8.380 nan 0.000 0.305 711 V N 1.756 121.532 119.914 -0.229 0.000 2.446 711 V HA 0.380 4.500 4.120 0.000 0.000 0.276 711 V C 0.013 175.861 176.094 -0.409 0.000 1.030 711 V CA -0.148 61.904 62.300 -0.413 0.000 1.033 711 V CB 0.618 32.295 31.823 -0.244 0.000 0.993 711 V HN 0.332 nan 8.190 nan 0.000 0.477 712 V N 8.507 128.166 119.914 -0.424 0.000 2.328 712 V HA 0.384 4.504 4.120 0.000 0.000 0.278 712 V C -0.060 175.904 176.094 -0.218 0.000 1.021 712 V CA -0.671 61.478 62.300 -0.253 0.000 0.838 712 V CB 1.238 32.935 31.823 -0.209 0.000 0.999 712 V HN 0.735 nan 8.190 nan 0.000 0.447 713 L N 5.182 126.338 121.223 -0.111 0.000 2.276 713 L HA 0.626 4.966 4.340 0.000 0.000 0.286 713 L C -0.049 176.841 176.870 0.033 0.000 1.061 713 L CA 0.454 55.289 54.840 -0.008 0.000 0.807 713 L CB 0.917 43.016 42.059 0.068 0.000 1.177 713 L HN 0.733 nan 8.230 nan 0.000 0.429 714 D N 1.438 121.874 120.400 0.061 0.000 2.787 714 D HA 0.046 4.686 4.640 0.000 0.000 0.215 714 D C -0.718 175.688 176.300 0.176 0.000 1.246 714 D CA -0.154 53.912 54.000 0.110 0.000 0.798 714 D CB 2.271 43.148 40.800 0.127 0.000 1.649 714 D HN 0.426 nan 8.370 nan 0.000 0.507 715 T N 1.774 116.430 114.554 0.169 0.000 3.182 715 T HA 0.156 4.506 4.350 0.000 0.000 0.277 715 T C 1.240 176.035 174.700 0.158 0.000 1.013 715 T CA 0.509 62.709 62.100 0.168 0.000 0.900 715 T CB 0.198 69.130 68.868 0.108 0.000 1.098 715 T HN 0.420 nan 8.240 nan 0.000 0.543 716 T N 2.535 117.190 114.554 0.168 0.000 2.708 716 T HA 0.080 4.430 4.350 0.000 0.000 0.266 716 T C 0.740 175.400 174.700 -0.066 0.000 1.037 716 T CA 0.904 62.996 62.100 -0.013 0.000 1.146 716 T CB -0.084 68.688 68.868 -0.161 0.000 0.865 716 T HN 0.318 nan 8.240 nan 0.000 0.435 717 M N 1.426 121.006 119.600 -0.034 0.000 2.043 717 M HA 0.427 4.908 4.480 0.000 0.000 0.322 717 M C -0.437 176.013 176.300 0.251 0.000 0.962 717 M CA -0.398 54.903 55.300 0.002 0.000 0.927 717 M CB 1.016 33.512 32.600 -0.173 0.000 1.466 717 M HN -0.063 nan 8.290 nan 0.000 0.412 718 R N 1.976 122.573 120.500 0.161 0.000 4.556 718 R HA 0.502 4.842 4.340 0.000 0.000 0.197 718 R C 0.491 176.893 176.300 0.170 0.000 1.791 718 R CA 0.095 56.298 56.100 0.171 0.000 1.526 718 R CB -0.346 30.010 30.300 0.093 0.000 1.410 718 R HN 1.041 nan 8.270 nan 0.000 0.826 719 G N -0.954 108.024 108.800 0.296 0.000 2.497 719 G HA2 0.242 4.203 3.960 0.000 0.000 0.686 719 G HA3 0.242 4.203 3.960 0.000 0.000 0.686 719 G C -0.410 174.639 174.900 0.249 0.000 1.288 719 G CA -0.788 44.477 45.100 0.276 0.000 0.899 719 G HN 0.659 nan 8.290 nan 0.000 0.608 720 G N -0.833 108.124 108.800 0.262 0.000 2.345 720 G HA2 0.649 4.609 3.960 0.000 0.000 0.285 720 G HA3 0.649 4.609 3.960 0.000 0.000 0.285 720 G C -0.943 174.125 174.900 0.280 0.000 1.297 720 G CA -0.169 45.063 45.100 0.221 0.000 0.875 720 G HN 0.902 nan 8.290 nan 0.000 0.506 721 R N -0.903 119.748 120.500 0.252 0.000 2.720 721 R HA 0.743 5.084 4.340 0.000 0.000 0.272 721 R C -0.294 176.075 176.300 0.115 0.000 0.991 721 R CA -0.713 55.502 56.100 0.192 0.000 1.010 721 R CB 1.630 31.987 30.300 0.095 0.000 1.141 721 R HN 0.389 nan 8.270 nan 0.000 0.494 722 L N 0.636 121.853 121.223 -0.010 0.000 2.343 722 L HA 0.709 5.050 4.340 0.000 0.000 0.275 722 L C 0.639 177.510 176.870 0.002 0.000 1.056 722 L CA -0.276 54.486 54.840 -0.129 0.000 0.804 722 L CB 1.742 43.446 42.059 -0.591 0.000 1.203 722 L HN 0.828 nan 8.230 nan 0.000 0.440 723 G N 0.890 109.689 108.800 -0.001 0.000 2.634 723 G HA2 0.610 4.570 3.960 0.000 0.000 0.309 723 G HA3 0.610 4.570 3.960 0.000 0.000 0.309 723 G C -1.451 173.372 174.900 -0.128 0.000 1.299 723 G CA -0.308 44.729 45.100 -0.105 0.000 0.798 723 G HN 0.528 nan 8.290 nan 0.000 0.490 724 V N -2.269 117.384 119.914 -0.436 0.000 2.960 724 V HA 0.906 5.026 4.120 0.000 0.000 0.315 724 V C -1.008 174.943 176.094 -0.238 0.000 1.087 724 V CA -1.136 60.876 62.300 -0.481 0.000 0.982 724 V CB 1.766 32.782 31.823 -1.345 0.000 1.039 724 V HN 1.069 nan 8.190 nan 0.000 0.437 725 F N 3.879 123.769 119.950 -0.100 0.000 2.532 725 F HA 0.880 5.407 4.527 0.000 0.000 0.321 725 F C -0.205 175.833 175.800 0.397 0.000 1.089 725 F CA -0.451 57.613 58.000 0.107 0.000 0.926 725 F CB 1.589 40.614 39.000 0.042 0.000 1.168 725 F HN 1.156 nan 8.300 nan 0.000 0.459 726 C N 4.558 123.604 119.300 -0.423 0.000 3.173 726 C HA 0.761 5.221 4.460 0.000 0.000 0.310 726 C C -1.620 173.051 174.990 -0.531 0.000 1.306 726 C CA -1.283 57.526 59.018 -0.348 0.000 1.426 726 C CB 1.080 28.929 27.740 0.182 0.000 1.800 726 C HN 1.024 nan 8.230 nan 0.000 0.470 727 F N 2.950 122.698 119.950 -0.337 0.000 3.051 727 F HA 0.474 5.001 4.527 0.000 0.000 0.363 727 F C 0.603 176.541 175.800 0.230 0.000 1.257 727 F CA 0.493 58.458 58.000 -0.058 0.000 1.126 727 F CB 1.169 40.166 39.000 -0.004 0.000 1.476 727 F HN 1.195 nan 8.300 nan 0.000 0.576 728 S N 3.489 119.487 115.700 0.497 0.000 3.672 728 S HA -0.273 4.197 4.470 0.000 0.000 0.319 728 S C -0.734 174.027 174.600 0.269 0.000 1.151 728 S CA 1.295 59.726 58.200 0.385 0.000 0.911 728 S CB -0.978 62.490 63.200 0.448 0.000 0.939 728 S HN 0.844 nan 8.310 nan 0.000 0.524 729 Q N 1.471 121.392 119.800 0.201 0.000 2.294 729 Q HA 0.493 4.834 4.340 0.000 0.000 0.264 729 Q C -0.564 175.478 176.000 0.071 0.000 0.992 729 Q CA -0.512 55.383 55.803 0.154 0.000 0.747 729 Q CB 1.191 30.035 28.738 0.178 0.000 1.262 729 Q HN 0.654 nan 8.270 nan 0.000 0.452 730 E N 2.561 122.794 120.200 0.055 0.000 2.354 730 E HA 0.355 4.705 4.350 0.000 0.000 0.269 730 E C -0.688 175.897 176.600 -0.025 0.000 1.036 730 E CA -0.450 55.955 56.400 0.009 0.000 0.876 730 E CB 0.375 30.084 29.700 0.014 0.000 1.009 730 E HN 0.710 nan 8.360 nan 0.000 0.416 731 N N 0.804 119.475 118.700 -0.048 0.000 2.753 731 N HA -0.159 4.581 4.740 0.000 0.000 0.252 731 N C -1.269 174.161 175.510 -0.134 0.000 1.071 731 N CA 0.015 53.025 53.050 -0.067 0.000 0.690 731 N CB -1.160 37.300 38.487 -0.044 0.000 0.906 731 N HN 0.470 nan 8.380 nan 0.000 0.552 732 I N 0.991 121.434 120.570 -0.211 0.000 2.385 732 I HA 0.419 4.589 4.170 0.000 0.000 0.294 732 I C 0.508 176.364 176.117 -0.435 0.000 0.988 732 I CA -0.549 60.491 61.300 -0.433 0.000 1.265 732 I CB 1.179 38.729 38.000 -0.749 0.000 1.388 732 I HN 0.067 nan 8.210 nan 0.000 0.480 733 I N 4.809 125.155 120.570 -0.373 0.000 2.378 733 I HA 0.257 4.428 4.170 0.000 0.000 0.291 733 I C -0.893 175.122 176.117 -0.169 0.000 0.992 733 I CA -0.412 60.794 61.300 -0.158 0.000 1.154 733 I CB 1.286 39.230 38.000 -0.093 0.000 1.315 733 I HN 0.434 nan 8.210 nan 0.000 0.448 734 W N 6.305 127.751 121.300 0.243 0.000 2.298 734 W HA 0.662 5.322 4.660 0.000 0.000 0.327 734 W C -0.150 176.453 176.519 0.139 0.000 0.988 734 W CA -0.638 56.885 57.345 0.296 0.000 1.448 734 W CB 1.384 31.050 29.460 0.344 0.000 1.243 734 W HN 0.446 nan 8.180 nan 0.000 0.388 735 A N 3.260 126.219 122.820 0.232 0.000 2.330 735 A HA 0.528 4.849 4.320 0.000 0.000 0.329 735 A C 0.587 178.192 177.584 0.036 0.000 1.135 735 A CA -0.646 51.462 52.037 0.120 0.000 0.817 735 A CB 0.885 19.925 19.000 0.066 0.000 1.269 735 A HN 0.595 nan 8.150 nan 0.000 0.469 736 N N -0.507 118.215 118.700 0.038 0.000 2.671 736 N HA -0.131 4.609 4.740 0.000 0.000 0.261 736 N C -1.181 174.284 175.510 -0.075 0.000 1.053 736 N CA 0.348 53.393 53.050 -0.008 0.000 0.732 736 N CB -1.182 37.286 38.487 -0.032 0.000 0.887 736 N HN 0.484 nan 8.380 nan 0.000 0.546 737 L N 1.828 123.053 121.223 0.004 0.000 2.326 737 L HA 0.500 4.840 4.340 0.000 0.000 0.278 737 L C 0.818 177.726 176.870 0.063 0.000 1.092 737 L CA 0.309 55.172 54.840 0.038 0.000 0.810 737 L CB 1.093 43.290 42.059 0.230 0.000 1.153 737 L HN 0.254 nan 8.230 nan 0.000 0.439 738 R N 3.854 124.400 120.500 0.077 0.000 2.533 738 R HA 0.475 4.816 4.340 0.000 0.000 0.288 738 R C -1.623 174.868 176.300 0.318 0.000 1.039 738 R CA -0.770 55.375 56.100 0.075 0.000 0.909 738 R CB 2.196 32.495 30.300 -0.003 0.000 1.195 738 R HN 0.530 nan 8.270 nan 0.000 0.438 739 Y N 0.041 120.531 120.300 0.318 0.000 2.536 739 Y HA 0.753 5.303 4.550 0.000 0.000 0.347 739 Y C -0.473 175.540 175.900 0.188 0.000 1.000 739 Y CA -1.541 56.712 58.100 0.254 0.000 1.051 739 Y CB 1.507 40.024 38.460 0.095 0.000 1.259 739 Y HN 0.659 nan 8.280 nan 0.000 0.468 740 R N 0.577 121.327 120.500 0.417 0.000 2.710 740 R HA 0.701 5.041 4.340 0.000 0.000 0.270 740 R C -1.871 174.624 176.300 0.325 0.000 1.021 740 R CA -0.719 55.599 56.100 0.364 0.000 0.889 740 R CB 0.994 31.425 30.300 0.219 0.000 1.243 740 R HN 0.851 nan 8.270 nan 0.000 0.464 741 c N 2.064 120.850 118.600 0.310 0.000 2.648 741 c HA 0.364 4.934 4.570 0.000 0.000 0.419 741 c C -0.220 173.946 174.090 0.127 0.000 1.352 741 c CA 0.362 56.830 56.329 0.231 0.000 1.816 741 c CB -0.741 41.855 42.510 0.144 0.000 2.598 741 c HN 0.702 nan 8.230 nan 0.000 0.598 742 N N 1.844 120.600 118.700 0.093 0.000 2.655 742 N HA 0.181 4.921 4.740 0.000 0.000 0.277 742 N C -0.388 175.124 175.510 0.004 0.000 1.177 742 N CA -0.211 52.864 53.050 0.042 0.000 0.882 742 N CB 1.019 39.537 38.487 0.051 0.000 1.481 742 N HN 0.620 nan 8.380 nan 0.000 0.547 743 D N 0.106 120.495 120.400 -0.019 0.000 2.392 743 D HA -0.013 4.627 4.640 0.000 0.000 0.206 743 D C 0.377 176.633 176.300 -0.074 0.000 1.046 743 D CA 0.526 54.496 54.000 -0.049 0.000 0.865 743 D CB 0.550 41.323 40.800 -0.045 0.000 0.969 743 D HN 0.584 nan 8.370 nan 0.000 0.509 744 T N 0.659 115.178 114.554 -0.058 0.000 2.793 744 T HA 0.156 4.507 4.350 0.000 0.000 0.289 744 T C 0.396 175.033 174.700 -0.105 0.000 0.956 744 T CA -0.279 61.782 62.100 -0.066 0.000 1.177 744 T CB -0.191 68.654 68.868 -0.039 0.000 0.897 744 T HN -0.079 nan 8.240 nan 0.000 0.533 745 I N 7.199 127.680 120.570 -0.149 0.000 2.416 745 I HA 0.260 4.430 4.170 0.000 0.000 0.288 745 I C -1.551 174.415 176.117 -0.251 0.000 1.051 745 I CA -2.315 58.825 61.300 -0.267 0.000 1.375 745 I CB 0.960 38.767 38.000 -0.322 0.000 1.407 745 I HN 0.562 nan 8.210 nan 0.000 0.516 746 P HA -0.033 nan 4.420 nan 0.000 0.267 746 P C 0.478 177.699 177.300 -0.133 0.000 1.195 746 P CA 0.013 62.971 63.100 -0.238 0.000 0.773 746 P CB 0.554 32.052 31.700 -0.337 0.000 0.837 747 E N 1.395 121.580 120.200 -0.026 0.000 2.051 747 E HA -0.197 4.153 4.350 0.000 0.000 0.192 747 E C 0.944 177.582 176.600 0.064 0.000 0.991 747 E CA 1.707 58.121 56.400 0.023 0.000 0.799 747 E CB -0.326 29.393 29.700 0.032 0.000 0.748 747 E HN 0.662 nan 8.360 nan 0.000 0.449 748 D N -0.235 120.217 120.400 0.088 0.000 2.379 748 D HA -0.174 4.466 4.640 0.000 0.000 0.243 748 D C 1.426 177.847 176.300 0.202 0.000 1.088 748 D CA 0.312 54.391 54.000 0.133 0.000 0.925 748 D CB -0.411 40.478 40.800 0.148 0.000 0.888 748 D HN 0.234 nan 8.370 nan 0.000 0.529 749 Y N 1.254 121.580 120.300 0.043 0.000 2.153 749 Y HA -0.039 4.511 4.550 0.000 0.000 0.289 749 Y C 2.008 177.970 175.900 0.104 0.000 1.119 749 Y CA 1.337 59.480 58.100 0.072 0.000 1.116 749 Y CB 0.031 38.419 38.460 -0.121 0.000 1.004 749 Y HN -0.134 nan 8.280 nan 0.000 0.501 750 E N -0.214 119.952 120.200 -0.055 0.000 2.150 750 E HA -0.139 4.211 4.350 0.000 0.000 0.193 750 E C 2.046 178.595 176.600 -0.084 0.000 0.985 750 E CA 1.647 57.970 56.400 -0.128 0.000 0.814 750 E CB -0.455 29.256 29.700 0.019 0.000 0.752 750 E HN 0.553 nan 8.360 nan 0.000 0.466 751 T N 1.089 115.638 114.554 -0.009 0.000 2.580 751 T HA -0.231 4.119 4.350 0.000 0.000 0.265 751 T C 1.757 176.456 174.700 -0.002 0.000 1.063 751 T CA 1.619 63.724 62.100 0.009 0.000 1.170 751 T CB -0.701 68.196 68.868 0.048 0.000 0.863 751 T HN 0.346 nan 8.240 nan 0.000 0.418 752 H N 1.088 120.117 119.070 -0.068 0.000 2.289 752 H HA -0.176 4.380 4.556 0.000 0.000 0.294 752 H C 2.477 177.727 175.328 -0.131 0.000 1.095 752 H CA 2.350 58.354 56.048 -0.074 0.000 1.256 752 H CB -0.245 29.494 29.762 -0.039 0.000 1.359 752 H HN 0.215 nan 8.280 nan 0.000 0.487 753 Q N 0.558 120.285 119.800 -0.121 0.000 2.061 753 Q HA -0.075 4.265 4.340 0.000 0.000 0.204 753 Q C 2.881 178.798 176.000 -0.137 0.000 0.984 753 Q CA 1.298 56.992 55.803 -0.182 0.000 0.846 753 Q CB -0.426 28.105 28.738 -0.346 0.000 0.902 753 Q HN 0.496 nan 8.270 nan 0.000 0.421 754 L N -0.522 120.634 121.223 -0.112 0.000 2.056 754 L HA -0.097 4.244 4.340 0.000 0.000 0.207 754 L C 1.429 178.251 176.870 -0.080 0.000 1.078 754 L CA 0.945 55.740 54.840 -0.076 0.000 0.749 754 L CB -0.165 41.864 42.059 -0.050 0.000 0.901 754 L HN 0.091 nan 8.230 nan 0.000 0.433 755 R N 0.257 120.697 120.500 -0.100 0.000 3.385 755 R HA -0.043 4.297 4.340 0.000 0.000 0.236 755 R C 0.404 176.626 176.300 -0.130 0.000 1.663 755 R CA -0.120 55.922 56.100 -0.097 0.000 1.444 755 R CB -0.085 30.167 30.300 -0.081 0.000 1.218 755 R HN 0.160 nan 8.270 nan 0.000 0.575 756 Q N 0.101 119.829 119.800 -0.120 0.000 2.244 756 Q HA 0.246 4.586 4.340 0.000 0.000 0.239 756 Q C -0.353 175.610 176.000 -0.062 0.000 0.890 756 Q CA -0.146 55.596 55.803 -0.103 0.000 0.964 756 Q CB 0.815 29.494 28.738 -0.097 0.000 1.076 756 Q HN 0.378 nan 8.270 nan 0.000 0.447 757 A N 0.000 122.787 122.820 -0.054 0.000 2.254 757 A HA 0.000 4.320 4.320 0.000 0.000 0.244 757 A CA 0.000 52.016 52.037 -0.036 0.000 0.836 757 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 757 A HN 0.000 nan 8.150 nan 0.000 0.486