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 3f2c_1_A DATA FIRST_RESID 233 DATA SEQUENCE VRRLETIVEE ERRVVVQGYV FDAEVSELKS GRTLLTMKIT DYTNSILVKM DATA SEQUENCE FSRDKEDAEL MSGVKKGMWV KVRGSVQNDT FVRDLVIIAN DLNEIAANER DATA SEQUENCE QDTAPEGEKR VELHLHTPMS QMDAVTSVTK LIEQAKKWGH PAIAVTDHAV DATA SEQUENCE VQSFPEAYSA AKKHGMKVIY GLEANIVDDX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXPFHVT LLAQNETGLK DATA SEQUENCE NLFKLVSLSH IQYFHRVPRI PRSVLVKHRD GLLVGSGCDK GELFDNXXXX DATA SEQUENCE XXXXVEDIAR FYDFLEVHPP DVYKPLXXXX XVKDEEMIKN IIRSIVALGE DATA SEQUENCE KLDIPVVATG NVHYLNPEDK IYRKILIHSQ GGANPLNRHE LPDVYFRTTN DATA SEQUENCE EMLDCFSFLG PEKAKEIVVD NTQKIASLIG DVKPIKDELY TPRIEGADEE DATA SEQUENCE IREMSYRRAK EIYGDPLPKL VEERLEKELK SIIGHGFAVI YLISHKLVKK DATA SEQUENCE SLDDGYLVGS RGSVGSSFVA TMTEITEVNP LPPHYVCPNC KHSEFFNDGS DATA SEQUENCE VGSGFDLPDK NCPRCGTKYK KDGHDIPFET FLGFKGDKVP DIDLNFSGEY DATA SEQUENCE QPRAHNYTKV LFGEDNVYRA GTIGTVADKT AYGFVKAYAS DHNLELRGAE DATA SEQUENCE IDRLAAGCTG VKRTTGQHPG GIIVVPDYME IYDFTPIQYP ADDTSSEWRT DATA SEQUENCE THFDFHSIHD NLLKLDILGH DDPTVIRMLQ DLSGIDPKTI PTDDPDVMGI DATA SEQUENCE FSSTEPLGVT PEQIMCNVGT IGIPEFGTRF VRQMLEETRP KTFSELVQIS DATA SEQUENCE GLSHGTDVWL GNAQELIQNG TCTLSEVIGC RDDIMVYLIY RGLEPSLAFK DATA SEQUENCE IMESVRKGKG LTPEFEAEMR KHDVPEWYID SCKKIKYMFP KAHAAAYVLM DATA SEQUENCE AVRIAYFKVH HPLLYYASYF TVRAEDFDLD AMIKGSAAIR KRIEEINAKG DATA SEQUENCE IQATAKEKSL LTVLEVALEM CERGFSFKNI DLYRSQATEF VIDGNSLIPP DATA SEQUENCE FNAIPGLGTN VAQAIVRARE EGEFLSKEDL QQRGKLSKTL LEYLESRGCL DATA SEQUENCE DSLPDHNQLS LF 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 233 V HA 0.000 nan 4.120 nan 0.000 0.244 233 V C 0.000 176.118 176.094 0.040 0.000 1.182 233 V CA 0.000 62.323 62.300 0.039 0.000 1.235 233 V CB 0.000 31.849 31.823 0.044 0.000 1.184 234 R N 5.311 125.835 120.500 0.040 0.000 2.312 234 R HA 0.564 4.906 4.340 0.003 0.000 0.311 234 R C 0.057 176.384 176.300 0.044 0.000 1.004 234 R CA -0.618 55.504 56.100 0.037 0.000 0.902 234 R CB 1.629 31.947 30.300 0.030 0.000 1.073 234 R HN 0.714 nan 8.270 nan 0.000 0.457 235 R N 2.073 122.598 120.500 0.043 0.000 2.537 235 R HA -0.005 4.337 4.340 0.003 0.000 0.280 235 R C 1.261 177.582 176.300 0.036 0.000 1.058 235 R CA -0.500 55.628 56.100 0.047 0.000 1.057 235 R CB 0.475 30.801 30.300 0.043 0.000 0.973 235 R HN 0.277 nan 8.270 nan 0.000 0.438 236 L N 3.275 124.519 121.223 0.035 0.000 2.129 236 L HA -0.217 4.125 4.340 0.003 0.000 0.212 236 L C 1.928 178.809 176.870 0.017 0.000 1.087 236 L CA 1.804 56.657 54.840 0.023 0.000 0.757 236 L CB -0.790 41.278 42.059 0.015 0.000 0.896 236 L HN 0.695 nan 8.230 nan 0.000 0.434 237 E N -1.790 118.420 120.200 0.016 0.000 2.409 237 E HA -0.150 4.202 4.350 0.003 0.000 0.198 237 E C 1.518 178.126 176.600 0.013 0.000 1.024 237 E CA 1.186 57.593 56.400 0.011 0.000 0.861 237 E CB -0.533 29.172 29.700 0.007 0.000 0.788 237 E HN 0.564 nan 8.360 nan 0.000 0.521 238 T N -1.109 113.455 114.554 0.016 0.000 3.086 238 T HA 0.185 4.537 4.350 0.003 0.000 0.250 238 T C 0.705 175.414 174.700 0.016 0.000 1.074 238 T CA -0.413 61.696 62.100 0.016 0.000 0.988 238 T CB -0.046 68.833 68.868 0.018 0.000 0.988 238 T HN 0.008 nan 8.240 nan 0.000 0.530 239 I N 3.757 124.337 120.570 0.016 0.000 2.294 239 I HA 0.208 4.379 4.170 0.003 0.000 0.295 239 I C 1.221 177.346 176.117 0.014 0.000 1.098 239 I CA -0.215 61.094 61.300 0.016 0.000 1.277 239 I CB 0.870 38.880 38.000 0.017 0.000 1.434 239 I HN 0.217 nan 8.210 nan 0.000 0.498 240 V N 2.539 122.461 119.914 0.013 0.000 3.480 240 V HA 0.389 4.510 4.120 0.003 0.000 0.263 240 V C 0.491 176.592 176.094 0.012 0.000 1.442 240 V CA 0.058 62.365 62.300 0.012 0.000 1.053 240 V CB 0.125 31.954 31.823 0.010 0.000 0.846 240 V HN 0.617 nan 8.190 nan 0.000 0.440 241 E N 0.159 120.367 120.200 0.012 0.000 2.445 241 E HA 0.496 4.847 4.350 0.003 0.000 0.273 241 E C -1.099 175.510 176.600 0.014 0.000 0.961 241 E CA -0.982 55.425 56.400 0.012 0.000 0.807 241 E CB 1.583 31.289 29.700 0.011 0.000 1.362 241 E HN 0.295 nan 8.360 nan 0.000 0.453 242 E N 1.168 121.376 120.200 0.014 0.000 2.437 242 E HA 0.004 4.355 4.350 0.003 0.000 0.263 242 E C -0.487 176.122 176.600 0.014 0.000 1.030 242 E CA 0.932 57.341 56.400 0.015 0.000 0.934 242 E CB 0.587 30.296 29.700 0.014 0.000 0.943 242 E HN 0.293 nan 8.360 nan 0.000 0.444 243 E N -0.273 119.937 120.200 0.015 0.000 2.422 243 E HA 0.245 4.596 4.350 0.003 0.000 0.289 243 E C 0.231 176.840 176.600 0.015 0.000 0.985 243 E CA -0.227 56.181 56.400 0.014 0.000 0.812 243 E CB 0.803 30.512 29.700 0.015 0.000 1.226 243 E HN 0.419 nan 8.360 nan 0.000 0.419 244 R N 2.901 123.409 120.500 0.013 0.000 2.092 244 R HA 0.072 4.413 4.340 0.003 0.000 0.231 244 R C 1.194 177.504 176.300 0.015 0.000 1.119 244 R CA 1.766 57.874 56.100 0.013 0.000 0.970 244 R CB -0.164 30.143 30.300 0.010 0.000 0.864 244 R HN 0.408 nan 8.270 nan 0.000 0.440 245 R N -0.114 120.395 120.500 0.016 0.000 2.549 245 R HA 0.348 4.689 4.340 0.003 0.000 0.291 245 R C -1.762 174.549 176.300 0.019 0.000 1.164 245 R CA 0.039 56.150 56.100 0.017 0.000 0.973 245 R CB 1.677 31.986 30.300 0.016 0.000 1.210 245 R HN 0.371 nan 8.270 nan 0.000 0.422 246 V N 1.112 121.039 119.914 0.021 0.000 2.823 246 V HA 0.732 4.854 4.120 0.003 0.000 0.312 246 V C -0.792 175.317 176.094 0.025 0.000 1.072 246 V CA -0.894 61.419 62.300 0.022 0.000 0.937 246 V CB 2.025 33.861 31.823 0.023 0.000 1.013 246 V HN 0.348 nan 8.190 nan 0.000 0.430 247 V N 4.374 124.304 119.914 0.028 0.000 2.483 247 V HA 0.920 5.041 4.120 0.003 0.000 0.295 247 V C -0.748 175.369 176.094 0.039 0.000 1.035 247 V CA -0.069 62.250 62.300 0.032 0.000 0.896 247 V CB 1.526 33.369 31.823 0.033 0.000 0.986 247 V HN 1.047 nan 8.190 nan 0.000 0.447 248 V N 5.578 125.518 119.914 0.044 0.000 3.087 248 V HA 0.556 4.678 4.120 0.003 0.000 0.306 248 V C -0.706 175.430 176.094 0.069 0.000 1.187 248 V CA -0.580 61.751 62.300 0.051 0.000 0.999 248 V CB 2.450 34.295 31.823 0.037 0.000 1.049 248 V HN 1.014 nan 8.190 nan 0.000 0.431 249 Q N 0.610 120.468 119.800 0.096 0.000 2.413 249 Q HA 0.838 5.180 4.340 0.003 0.000 0.276 249 Q C -0.393 175.694 176.000 0.145 0.000 1.099 249 Q CA -0.518 55.377 55.803 0.153 0.000 0.814 249 Q CB 2.729 31.597 28.738 0.217 0.000 1.379 249 Q HN 1.081 nan 8.270 nan 0.000 0.436 250 G N 0.497 109.385 108.800 0.147 0.000 2.377 250 G HA2 0.122 4.084 3.960 0.003 0.000 0.297 250 G HA3 0.122 4.084 3.960 0.003 0.000 0.297 250 G C -2.394 172.258 174.900 -0.414 0.000 1.547 250 G CA -0.844 44.205 45.100 -0.084 0.000 0.833 250 G HN 0.495 nan 8.290 nan 0.000 0.583 251 Y N 1.618 121.250 120.300 -1.113 0.000 2.465 251 Y HA 0.410 4.961 4.550 0.002 0.000 0.331 251 Y C 0.856 176.484 175.900 -0.452 0.000 1.102 251 Y CA -0.034 57.362 58.100 -1.173 0.000 1.358 251 Y CB 1.219 38.992 38.460 -1.146 0.000 1.213 251 Y HN 0.804 nan 8.280 nan 0.000 0.525 252 V N 8.405 127.905 119.914 -0.691 0.000 2.408 252 V HA 0.187 4.309 4.120 0.003 0.000 0.267 252 V C -0.157 175.624 176.094 -0.522 0.000 1.047 252 V CA -0.217 61.796 62.300 -0.478 0.000 0.937 252 V CB -0.462 31.144 31.823 -0.361 0.000 0.999 252 V HN 0.836 nan 8.190 nan 0.000 0.472 253 F N 2.685 122.461 119.950 -0.290 0.000 2.653 253 F HA 0.703 5.231 4.527 0.002 0.000 0.304 253 F C 0.021 175.769 175.800 -0.086 0.000 1.092 253 F CA -0.585 57.345 58.000 -0.117 0.000 1.279 253 F CB -0.023 39.039 39.000 0.103 0.000 1.044 253 F HN 0.564 nan 8.300 nan 0.000 0.564 254 D N 0.622 120.741 120.400 -0.468 0.000 2.745 254 D HA 0.637 5.279 4.640 0.003 0.000 0.221 254 D C -1.665 174.461 176.300 -0.290 0.000 1.237 254 D CA -0.255 53.551 54.000 -0.323 0.000 0.781 254 D CB 2.058 42.647 40.800 -0.351 0.000 1.575 254 D HN 0.341 nan 8.370 nan 0.000 0.482 255 A N 2.495 125.201 122.820 -0.190 0.000 2.500 255 A HA 0.638 4.959 4.320 0.003 0.000 0.291 255 A C -1.343 176.170 177.584 -0.119 0.000 1.048 255 A CA -0.776 51.163 52.037 -0.163 0.000 0.791 255 A CB 1.494 20.400 19.000 -0.156 0.000 1.309 255 A HN 0.289 nan 8.150 nan 0.000 0.397 256 E N 0.642 120.774 120.200 -0.113 0.000 2.369 256 E HA 0.692 5.044 4.350 0.003 0.000 0.270 256 E C -1.278 175.265 176.600 -0.095 0.000 0.909 256 E CA -0.743 55.603 56.400 -0.090 0.000 0.775 256 E CB 2.525 32.179 29.700 -0.076 0.000 1.270 256 E HN 0.421 nan 8.360 nan 0.000 0.445 257 V N 0.965 120.831 119.914 -0.080 0.000 2.735 257 V HA 0.633 4.755 4.120 0.003 0.000 0.310 257 V C -0.781 175.270 176.094 -0.071 0.000 1.061 257 V CA -0.411 61.839 62.300 -0.082 0.000 0.913 257 V CB 2.048 33.830 31.823 -0.069 0.000 1.005 257 V HN 0.867 nan 8.190 nan 0.000 0.428 258 S N 2.886 118.541 115.700 -0.076 0.000 2.550 258 S HA 0.636 5.108 4.470 0.003 0.000 0.270 258 S C -1.230 173.340 174.600 -0.049 0.000 1.145 258 S CA -0.991 57.173 58.200 -0.059 0.000 0.852 258 S CB 2.144 65.307 63.200 -0.062 0.000 1.119 258 S HN 0.614 nan 8.310 nan 0.000 0.465 259 E N 0.491 120.672 120.200 -0.033 0.000 2.242 259 E HA 0.520 4.872 4.350 0.003 0.000 0.275 259 E C -1.126 175.469 176.600 -0.009 0.000 1.002 259 E CA -0.771 55.618 56.400 -0.018 0.000 0.841 259 E CB 1.079 30.770 29.700 -0.015 0.000 1.109 259 E HN 0.368 nan 8.360 nan 0.000 0.394 260 L N 2.070 123.298 121.223 0.010 0.000 2.334 260 L HA 0.240 4.581 4.340 0.003 0.000 0.270 260 L C 1.608 178.485 176.870 0.012 0.000 1.018 260 L CA 0.083 54.935 54.840 0.021 0.000 0.811 260 L CB 0.748 42.845 42.059 0.063 0.000 1.271 260 L HN 0.688 nan 8.230 nan 0.000 0.443 261 K N 0.487 120.890 120.400 0.005 0.000 2.127 261 K HA -0.193 4.128 4.320 0.003 0.000 0.208 261 K C 1.799 178.401 176.600 0.002 0.000 1.047 261 K CA 2.088 58.375 56.287 -0.001 0.000 0.927 261 K CB -1.385 31.112 32.500 -0.006 0.000 0.716 261 K HN 0.822 nan 8.250 nan 0.000 0.450 262 S N -1.882 113.823 115.700 0.009 0.000 2.507 262 S HA 0.259 4.731 4.470 0.003 0.000 0.235 262 S C 1.988 176.594 174.600 0.010 0.000 0.988 262 S CA 1.139 59.344 58.200 0.008 0.000 0.944 262 S CB -0.244 62.962 63.200 0.010 0.000 0.762 262 S HN 1.750 nan 8.310 nan 0.000 0.526 263 G N 0.696 109.503 108.800 0.012 0.000 2.234 263 G HA2 -0.274 3.687 3.960 0.003 0.000 0.235 263 G HA3 -0.274 3.687 3.960 0.003 0.000 0.235 263 G C 0.265 175.176 174.900 0.019 0.000 0.997 263 G CA -0.033 45.074 45.100 0.011 0.000 0.623 263 G HN 0.655 nan 8.290 nan 0.000 0.514 264 R N 1.290 121.811 120.500 0.034 0.000 2.734 264 R HA 0.530 4.872 4.340 0.003 0.000 0.266 264 R C 0.267 176.593 176.300 0.044 0.000 1.044 264 R CA 1.145 57.278 56.100 0.055 0.000 1.128 264 R CB 0.301 30.662 30.300 0.101 0.000 1.010 264 R HN 0.171 nan 8.270 nan 0.000 0.461 265 T N 3.649 118.221 114.554 0.030 0.000 2.859 265 T HA 0.453 4.805 4.350 0.003 0.000 0.281 265 T C -1.171 173.496 174.700 -0.056 0.000 1.005 265 T CA -0.591 61.502 62.100 -0.012 0.000 1.025 265 T CB 1.129 69.983 68.868 -0.024 0.000 0.977 265 T HN 0.334 nan 8.240 nan 0.000 0.458 266 L N 3.998 125.144 121.223 -0.127 0.000 2.333 266 L HA 0.761 5.102 4.340 0.003 0.000 0.280 266 L C -1.316 175.412 176.870 -0.238 0.000 1.004 266 L CA -0.911 53.752 54.840 -0.294 0.000 0.820 266 L CB 1.293 43.131 42.059 -0.367 0.000 1.247 266 L HN 0.535 nan 8.230 nan 0.000 0.416 267 L N 4.548 125.615 121.223 -0.260 0.000 2.295 267 L HA 0.697 5.039 4.340 0.003 0.000 0.285 267 L C -0.566 176.174 176.870 -0.217 0.000 1.035 267 L CA 0.478 55.203 54.840 -0.192 0.000 0.806 267 L CB 1.651 43.621 42.059 -0.148 0.000 1.214 267 L HN 0.762 nan 8.230 nan 0.000 0.426 268 T N 6.754 121.204 114.554 -0.174 0.000 2.864 268 T HA 0.563 4.914 4.350 0.003 0.000 0.310 268 T C -0.232 174.373 174.700 -0.159 0.000 1.040 268 T CA -0.325 61.679 62.100 -0.159 0.000 0.977 268 T CB 0.564 69.353 68.868 -0.132 0.000 0.976 268 T HN 0.559 nan 8.240 nan 0.000 0.459 269 M N 2.365 121.863 119.600 -0.170 0.000 2.644 269 M HA 0.555 5.036 4.480 0.003 0.000 0.316 269 M C -0.278 175.861 176.300 -0.268 0.000 1.200 269 M CA -1.005 54.164 55.300 -0.218 0.000 0.944 269 M CB 2.285 34.765 32.600 -0.201 0.000 1.691 269 M HN 0.179 nan 8.290 nan 0.000 0.471 270 K N 2.724 122.862 120.400 -0.437 0.000 2.292 270 K HA 0.730 5.052 4.320 0.003 0.000 0.257 270 K C -1.101 175.141 176.600 -0.595 0.000 0.940 270 K CA -0.562 55.377 56.287 -0.580 0.000 0.811 270 K CB 2.101 34.009 32.500 -0.986 0.000 1.120 270 K HN 0.673 nan 8.250 nan 0.000 0.428 271 I N -1.445 118.977 120.570 -0.246 0.000 2.785 271 I HA 0.614 4.785 4.170 0.003 0.000 0.302 271 I C -0.781 175.383 176.117 0.079 0.000 1.069 271 I CA -0.580 60.664 61.300 -0.093 0.000 1.045 271 I CB 2.475 40.406 38.000 -0.115 0.000 1.236 271 I HN 0.429 nan 8.210 nan 0.000 0.429 272 T N 1.610 116.169 114.554 0.008 0.000 2.912 272 T HA 0.352 4.703 4.350 0.003 0.000 0.299 272 T C -0.305 174.187 174.700 -0.346 0.000 1.052 272 T CA -0.396 61.598 62.100 -0.177 0.000 0.996 272 T CB 1.507 70.139 68.868 -0.392 0.000 1.070 272 T HN 0.871 nan 8.240 nan 0.000 0.465 273 D N 2.254 122.550 120.400 -0.174 0.000 2.369 273 D HA 0.099 4.741 4.640 0.003 0.000 0.211 273 D C 0.295 176.674 176.300 0.132 0.000 1.077 273 D CA -0.091 53.920 54.000 0.018 0.000 0.842 273 D CB -0.348 40.524 40.800 0.119 0.000 0.947 273 D HN 0.658 nan 8.370 nan 0.000 0.509 274 Y N -0.896 119.420 120.300 0.027 0.000 4.936 274 Y HA -0.317 4.235 4.550 0.003 0.000 0.266 274 Y C 1.831 177.703 175.900 -0.046 0.000 0.909 274 Y CA 1.030 59.119 58.100 -0.018 0.000 1.828 274 Y CB -2.413 36.055 38.460 0.013 0.000 1.283 274 Y HN 0.356 nan 8.280 nan 0.000 0.511 275 T N -3.464 111.133 114.554 0.073 0.000 3.023 275 T HA 0.308 4.659 4.350 0.003 0.000 0.249 275 T C 0.655 175.350 174.700 -0.008 0.000 1.050 275 T CA 1.083 63.198 62.100 0.025 0.000 1.088 275 T CB 0.671 69.558 68.868 0.032 0.000 0.946 275 T HN 0.356 nan 8.240 nan 0.000 0.480 276 N N -1.025 117.665 118.700 -0.017 0.000 3.441 276 N HA 0.396 5.138 4.740 0.003 0.000 0.313 276 N C -1.911 173.581 175.510 -0.030 0.000 1.526 276 N CA -0.317 52.719 53.050 -0.024 0.000 0.871 276 N CB 1.619 40.103 38.487 -0.004 0.000 1.779 276 N HN 0.243 nan 8.380 nan 0.000 0.529 277 S N 0.027 115.729 115.700 0.004 0.000 2.638 277 S HA 0.782 5.254 4.470 0.003 0.000 0.274 277 S C -1.157 173.472 174.600 0.048 0.000 1.157 277 S CA -0.527 57.700 58.200 0.045 0.000 0.826 277 S CB 2.231 65.505 63.200 0.123 0.000 1.139 277 S HN 0.554 nan 8.310 nan 0.000 0.474 278 I N 0.846 121.444 120.570 0.047 0.000 2.842 278 I HA 0.402 4.574 4.170 0.003 0.000 0.296 278 I C -2.169 173.935 176.117 -0.022 0.000 1.538 278 I CA -0.819 60.491 61.300 0.016 0.000 0.994 278 I CB 1.493 39.498 38.000 0.008 0.000 1.372 278 I HN 0.605 nan 8.210 nan 0.000 0.478 279 L N 6.649 127.857 121.223 -0.025 0.000 2.326 279 L HA 0.615 4.956 4.340 0.003 0.000 0.278 279 L C -1.095 175.746 176.870 -0.049 0.000 1.092 279 L CA 0.069 54.875 54.840 -0.057 0.000 0.810 279 L CB 1.414 43.453 42.059 -0.035 0.000 1.153 279 L HN 0.313 nan 8.230 nan 0.000 0.439 280 V N 5.151 125.018 119.914 -0.078 0.000 2.495 280 V HA 0.520 4.641 4.120 0.003 0.000 0.298 280 V C -0.240 175.802 176.094 -0.085 0.000 1.031 280 V CA -0.858 61.403 62.300 -0.064 0.000 0.871 280 V CB 1.734 33.515 31.823 -0.071 0.000 0.988 280 V HN 0.699 nan 8.190 nan 0.000 0.432 281 K N 4.134 124.494 120.400 -0.067 0.000 2.259 281 K HA 0.795 5.117 4.320 0.003 0.000 0.249 281 K C -0.976 175.541 176.600 -0.137 0.000 0.942 281 K CA -0.595 55.607 56.287 -0.142 0.000 0.816 281 K CB 2.384 34.814 32.500 -0.116 0.000 1.155 281 K HN 0.607 nan 8.250 nan 0.000 0.428 282 M N 3.050 122.475 119.600 -0.291 0.000 2.371 282 M HA 0.416 4.898 4.480 0.003 0.000 0.287 282 M C -1.873 174.229 176.300 -0.330 0.000 1.149 282 M CA -0.585 54.613 55.300 -0.171 0.000 0.929 282 M CB 1.339 33.889 32.600 -0.084 0.000 1.683 282 M HN 0.516 nan 8.290 nan 0.000 0.470 283 F N 2.297 122.237 119.950 -0.016 0.000 2.403 283 F HA 0.401 4.930 4.527 0.002 0.000 0.355 283 F C 0.678 176.469 175.800 -0.014 0.000 1.119 283 F CA -0.722 57.269 58.000 -0.016 0.000 1.007 283 F CB 1.761 40.752 39.000 -0.015 0.000 1.194 283 F HN 0.547 nan 8.300 nan 0.000 0.443 284 S N 2.303 118.069 115.700 0.111 0.000 2.568 284 S HA 0.196 4.667 4.470 0.003 0.000 0.282 284 S C 0.805 175.449 174.600 0.074 0.000 1.338 284 S CA -0.547 57.691 58.200 0.064 0.000 1.045 284 S CB 1.295 64.511 63.200 0.027 0.000 0.873 284 S HN 0.793 nan 8.310 nan 0.000 0.516 285 R N 0.645 121.174 120.500 0.049 0.000 2.397 285 R HA 0.266 4.607 4.340 0.003 0.000 0.241 285 R C -0.989 175.325 176.300 0.023 0.000 0.914 285 R CA 0.481 56.603 56.100 0.037 0.000 1.071 285 R CB 0.181 30.499 30.300 0.030 0.000 1.116 285 R HN 0.983 nan 8.270 nan 0.000 0.524 286 D N -2.768 117.645 120.400 0.020 0.000 2.683 286 D HA 0.005 4.647 4.640 0.003 0.000 0.246 286 D C -0.233 176.073 176.300 0.009 0.000 1.238 286 D CA -0.923 53.085 54.000 0.013 0.000 0.759 286 D CB 0.739 41.545 40.800 0.010 0.000 1.349 286 D HN -0.087 nan 8.370 nan 0.000 0.426 287 K N -0.119 120.284 120.400 0.006 0.000 2.360 287 K HA -0.103 4.219 4.320 0.003 0.000 0.201 287 K C 0.873 177.474 176.600 0.001 0.000 1.046 287 K CA 1.314 57.603 56.287 0.003 0.000 0.945 287 K CB 0.026 32.527 32.500 0.001 0.000 0.750 287 K HN 0.314 nan 8.250 nan 0.000 0.464 288 E N 1.234 121.435 120.200 0.002 0.000 2.047 288 E HA -0.133 4.219 4.350 0.003 0.000 0.191 288 E C 1.495 178.095 176.600 -0.000 0.000 0.987 288 E CA 1.510 57.910 56.400 0.001 0.000 0.799 288 E CB -0.120 29.581 29.700 0.003 0.000 0.752 288 E HN 0.382 nan 8.360 nan 0.000 0.449 289 D N -0.151 120.250 120.400 0.002 0.000 2.149 289 D HA -0.042 4.599 4.640 0.003 0.000 0.201 289 D C 1.789 178.085 176.300 -0.006 0.000 0.972 289 D CA 1.213 55.214 54.000 0.001 0.000 0.835 289 D CB -0.314 40.490 40.800 0.007 0.000 0.966 289 D HN 0.174 nan 8.370 nan 0.000 0.476 290 A N 1.542 124.359 122.820 -0.005 0.000 1.892 290 A HA -0.254 4.067 4.320 0.003 0.000 0.218 290 A C 2.018 179.592 177.584 -0.018 0.000 1.188 290 A CA 2.049 54.078 52.037 -0.012 0.000 0.631 290 A CB -0.630 18.366 19.000 -0.007 0.000 0.822 290 A HN 0.444 nan 8.150 nan 0.000 0.447 291 E N -0.066 120.127 120.200 -0.013 0.000 2.158 291 E HA -0.059 4.293 4.350 0.003 0.000 0.191 291 E C 1.936 178.526 176.600 -0.017 0.000 0.982 291 E CA 0.862 57.253 56.400 -0.015 0.000 0.823 291 E CB -0.501 29.193 29.700 -0.010 0.000 0.766 291 E HN 0.578 nan 8.360 nan 0.000 0.468 292 L N 0.503 121.718 121.223 -0.014 0.000 2.043 292 L HA -0.194 4.147 4.340 0.003 0.000 0.212 292 L C 2.806 179.662 176.870 -0.023 0.000 1.075 292 L CA 1.375 56.206 54.840 -0.014 0.000 0.752 292 L CB -0.431 41.623 42.059 -0.009 0.000 0.891 292 L HN 0.194 nan 8.230 nan 0.000 0.432 293 M N -0.996 118.587 119.600 -0.029 0.000 2.149 293 M HA -0.220 4.261 4.480 0.003 0.000 0.261 293 M C 2.282 178.553 176.300 -0.048 0.000 1.064 293 M CA 1.614 56.888 55.300 -0.043 0.000 1.102 293 M CB -0.248 32.321 32.600 -0.052 0.000 1.369 293 M HN 0.129 nan 8.290 nan 0.000 0.408 294 S N -0.102 115.574 115.700 -0.040 0.000 2.547 294 S HA -0.019 4.452 4.470 0.003 0.000 0.235 294 S C 1.710 176.288 174.600 -0.036 0.000 0.980 294 S CA 0.956 59.133 58.200 -0.039 0.000 0.941 294 S CB -0.384 62.798 63.200 -0.031 0.000 0.763 294 S HN 0.699 nan 8.310 nan 0.000 0.532 295 G N 0.639 109.420 108.800 -0.032 0.000 2.683 295 G HA2 0.114 4.075 3.960 0.003 0.000 0.213 295 G HA3 0.114 4.075 3.960 0.003 0.000 0.213 295 G C 0.380 175.259 174.900 -0.035 0.000 1.142 295 G CA -0.121 44.963 45.100 -0.027 0.000 0.793 295 G HN 0.342 nan 8.290 nan 0.000 0.534 296 V N 1.091 120.977 119.914 -0.047 0.000 2.485 296 V HA 0.311 4.432 4.120 0.003 0.000 0.287 296 V C 0.062 176.109 176.094 -0.078 0.000 1.022 296 V CA 0.260 62.522 62.300 -0.063 0.000 1.067 296 V CB 0.790 32.568 31.823 -0.075 0.000 0.967 296 V HN 0.123 nan 8.190 nan 0.000 0.479 297 K N 3.654 124.003 120.400 -0.084 0.000 2.385 297 K HA 0.476 4.797 4.320 0.003 0.000 0.248 297 K C -0.369 176.149 176.600 -0.137 0.000 0.955 297 K CA -0.870 55.364 56.287 -0.089 0.000 0.816 297 K CB 1.599 34.066 32.500 -0.055 0.000 1.250 297 K HN 0.483 nan 8.250 nan 0.000 0.434 298 K N 0.670 120.990 120.400 -0.134 0.000 2.530 298 K HA 0.073 4.394 4.320 0.003 0.000 0.280 298 K C 0.700 177.183 176.600 -0.195 0.000 1.004 298 K CA 1.460 57.641 56.287 -0.178 0.000 1.071 298 K CB 0.102 32.557 32.500 -0.074 0.000 0.876 298 K HN 0.873 nan 8.250 nan 0.000 0.487 299 G N 2.226 110.758 108.800 -0.447 0.000 2.213 299 G HA2 -0.254 3.708 3.960 0.003 0.000 0.226 299 G HA3 -0.254 3.708 3.960 0.003 0.000 0.226 299 G C 0.218 175.018 174.900 -0.165 0.000 0.992 299 G CA -0.309 44.621 45.100 -0.284 0.000 0.632 299 G HN 0.490 nan 8.290 nan 0.000 0.511 300 M N -0.382 119.095 119.600 -0.205 0.000 2.228 300 M HA 0.543 5.024 4.480 0.003 0.000 0.326 300 M C 0.052 176.317 176.300 -0.058 0.000 1.122 300 M CA -0.034 55.248 55.300 -0.030 0.000 1.161 300 M CB 0.533 33.111 32.600 -0.037 0.000 1.437 300 M HN 0.183 nan 8.290 nan 0.000 0.465 301 W N 0.569 121.868 121.300 -0.001 0.000 2.627 301 W HA 0.662 5.324 4.660 0.003 0.000 0.339 301 W C -1.114 175.417 176.519 0.019 0.000 1.058 301 W CA -0.423 56.949 57.345 0.045 0.000 1.223 301 W CB 1.382 30.907 29.460 0.109 0.000 1.389 301 W HN 0.204 nan 8.180 nan 0.000 0.541 302 V N 2.599 122.651 119.914 0.231 0.000 2.932 302 V HA 0.352 4.473 4.120 0.003 0.000 0.307 302 V C -0.920 175.250 176.094 0.125 0.000 1.147 302 V CA -1.553 60.818 62.300 0.118 0.000 0.951 302 V CB 2.189 34.022 31.823 0.016 0.000 1.031 302 V HN 0.410 nan 8.190 nan 0.000 0.426 303 K N 3.461 123.920 120.400 0.098 0.000 2.235 303 K HA 0.803 5.124 4.320 0.003 0.000 0.266 303 K C -1.648 174.982 176.600 0.050 0.000 0.980 303 K CA -0.386 55.950 56.287 0.083 0.000 0.849 303 K CB 1.807 34.354 32.500 0.080 0.000 1.098 303 K HN 0.455 nan 8.250 nan 0.000 0.445 304 V N 2.927 122.866 119.914 0.041 0.000 2.540 304 V HA 0.636 4.757 4.120 0.003 0.000 0.302 304 V C -0.208 175.903 176.094 0.028 0.000 1.035 304 V CA -0.785 61.530 62.300 0.026 0.000 0.873 304 V CB 1.458 33.288 31.823 0.012 0.000 0.992 304 V HN 0.890 nan 8.190 nan 0.000 0.428 305 R N 2.032 122.548 120.500 0.026 0.000 2.445 305 R HA 0.951 5.293 4.340 0.003 0.000 0.308 305 R C 0.203 176.518 176.300 0.026 0.000 0.961 305 R CA 0.102 56.218 56.100 0.026 0.000 0.862 305 R CB 1.540 31.855 30.300 0.025 0.000 1.144 305 R HN 1.639 nan 8.270 nan 0.000 0.447 306 G N -0.185 108.631 108.800 0.026 0.000 2.348 306 G HA2 0.500 4.461 3.960 0.003 0.000 0.296 306 G HA3 0.500 4.461 3.960 0.003 0.000 0.296 306 G C -0.782 174.135 174.900 0.027 0.000 1.258 306 G CA 0.248 45.365 45.100 0.029 0.000 0.868 306 G HN 1.547 nan 8.290 nan 0.000 0.488 307 S N -1.179 114.540 115.700 0.031 0.000 2.537 307 S HA 0.732 5.204 4.470 0.003 0.000 0.301 307 S C -0.638 173.980 174.600 0.029 0.000 1.092 307 S CA -0.691 57.525 58.200 0.028 0.000 1.048 307 S CB 1.913 65.129 63.200 0.027 0.000 1.053 307 S HN 1.067 nan 8.310 nan 0.000 0.501 308 V N 3.020 122.949 119.914 0.025 0.000 2.350 308 V HA 0.432 4.554 4.120 0.003 0.000 0.276 308 V C -0.161 175.949 176.094 0.025 0.000 1.028 308 V CA -0.298 62.017 62.300 0.025 0.000 0.860 308 V CB 0.563 32.399 31.823 0.021 0.000 0.990 308 V HN 0.927 nan 8.190 nan 0.000 0.453 309 Q N 3.000 122.819 119.800 0.031 0.000 2.394 309 Q HA 0.380 4.722 4.340 0.003 0.000 0.273 309 Q C -0.311 175.709 176.000 0.033 0.000 1.089 309 Q CA -0.701 55.121 55.803 0.032 0.000 0.812 309 Q CB 2.438 31.199 28.738 0.039 0.000 1.353 309 Q HN 0.719 nan 8.270 nan 0.000 0.438 310 N N 2.199 120.917 118.700 0.030 0.000 2.452 310 N HA -0.056 4.686 4.740 0.003 0.000 0.266 310 N C -1.232 174.304 175.510 0.044 0.000 1.175 310 N CA 0.296 53.365 53.050 0.031 0.000 0.945 310 N CB 0.641 39.143 38.487 0.025 0.000 1.063 310 N HN 0.535 nan 8.380 nan 0.000 0.472 311 D N 2.830 123.261 120.400 0.051 0.000 2.317 311 D HA 0.063 4.705 4.640 0.003 0.000 0.234 311 D C 1.103 177.447 176.300 0.075 0.000 1.112 311 D CA -0.295 53.752 54.000 0.078 0.000 0.840 311 D CB 1.233 42.089 40.800 0.093 0.000 1.078 311 D HN 0.621 nan 8.370 nan 0.000 0.486 312 T N 1.041 115.650 114.554 0.091 0.000 3.067 312 T HA -0.056 4.295 4.350 0.003 0.000 0.261 312 T C 1.705 176.466 174.700 0.101 0.000 1.110 312 T CA 0.064 62.209 62.100 0.075 0.000 1.113 312 T CB -0.272 68.635 68.868 0.066 0.000 0.917 312 T HN 0.411 nan 8.240 nan 0.000 0.499 313 F N 1.239 121.198 119.950 0.014 0.000 2.270 313 F HA 0.300 4.829 4.527 0.003 0.000 0.295 313 F C 2.075 177.880 175.800 0.008 0.000 1.087 313 F CA 0.316 58.323 58.000 0.011 0.000 1.365 313 F CB -0.095 38.913 39.000 0.013 0.000 1.056 313 F HN 0.027 nan 8.300 nan 0.000 0.506 314 V N 1.379 121.233 119.914 -0.100 0.000 3.461 314 V HA 0.055 4.177 4.120 0.003 0.000 0.267 314 V C 0.901 176.907 176.094 -0.146 0.000 1.186 314 V CA 0.785 62.970 62.300 -0.191 0.000 1.154 314 V CB -0.764 31.055 31.823 -0.007 0.000 0.802 314 V HN 0.479 nan 8.190 nan 0.000 0.474 315 R N 0.504 120.946 120.500 -0.096 0.000 3.770 315 R HA -0.131 4.211 4.340 0.003 0.000 0.305 315 R C -0.450 175.832 176.300 -0.030 0.000 1.184 315 R CA 1.089 57.152 56.100 -0.062 0.000 0.823 315 R CB -1.895 28.351 30.300 -0.091 0.000 1.285 315 R HN 0.506 nan 8.270 nan 0.000 0.499 316 D N -0.426 119.966 120.400 -0.013 0.000 2.570 316 D HA 0.407 5.048 4.640 0.003 0.000 0.244 316 D C 0.498 176.806 176.300 0.014 0.000 1.178 316 D CA -0.769 53.232 54.000 0.001 0.000 0.881 316 D CB 1.206 42.008 40.800 0.003 0.000 1.453 316 D HN -0.137 nan 8.370 nan 0.000 0.447 317 L N 0.348 121.580 121.223 0.016 0.000 2.482 317 L HA 0.398 4.740 4.340 0.003 0.000 0.273 317 L C 0.058 176.941 176.870 0.021 0.000 1.228 317 L CA 0.056 54.908 54.840 0.020 0.000 0.827 317 L CB 0.411 42.480 42.059 0.018 0.000 1.099 317 L HN 0.012 nan 8.230 nan 0.000 0.494 318 V N 2.116 122.045 119.914 0.025 0.000 3.023 318 V HA 0.309 4.431 4.120 0.003 0.000 0.294 318 V C -0.634 175.477 176.094 0.028 0.000 1.324 318 V CA -0.487 61.828 62.300 0.025 0.000 0.979 318 V CB 2.490 34.335 31.823 0.037 0.000 1.093 318 V HN 0.458 nan 8.190 nan 0.000 0.434 319 I N 5.205 125.786 120.570 0.019 0.000 2.365 319 I HA 0.373 4.545 4.170 0.003 0.000 0.291 319 I C -0.468 175.672 176.117 0.038 0.000 1.004 319 I CA -0.407 60.908 61.300 0.024 0.000 1.311 319 I CB 1.174 39.182 38.000 0.014 0.000 1.401 319 I HN 0.309 nan 8.210 nan 0.000 0.491 320 I N 6.420 127.025 120.570 0.059 0.000 2.291 320 I HA 0.315 4.487 4.170 0.003 0.000 0.290 320 I C 0.617 176.779 176.117 0.074 0.000 1.050 320 I CA -0.327 61.030 61.300 0.095 0.000 1.245 320 I CB 0.586 38.660 38.000 0.124 0.000 1.405 320 I HN 0.516 nan 8.210 nan 0.000 0.478 321 A N 6.878 129.735 122.820 0.061 0.000 2.328 321 A HA 0.377 4.698 4.320 0.003 0.000 0.284 321 A C 1.016 178.634 177.584 0.055 0.000 1.160 321 A CA -0.600 51.462 52.037 0.041 0.000 0.818 321 A CB 0.178 19.186 19.000 0.014 0.000 1.087 321 A HN 0.800 nan 8.150 nan 0.000 0.504 322 N N 1.319 120.046 118.700 0.044 0.000 2.236 322 N HA 0.040 4.782 4.740 0.003 0.000 0.196 322 N C -0.899 174.629 175.510 0.031 0.000 1.114 322 N CA -0.028 53.047 53.050 0.043 0.000 0.859 322 N CB 0.871 39.380 38.487 0.037 0.000 0.982 322 N HN 0.608 nan 8.380 nan 0.000 0.493 323 D N 0.886 121.301 120.400 0.026 0.000 2.977 323 D HA 0.370 5.011 4.640 0.003 0.000 0.220 323 D C -1.719 174.592 176.300 0.018 0.000 1.267 323 D CA -0.387 53.626 54.000 0.021 0.000 0.884 323 D CB 2.942 43.755 40.800 0.022 0.000 1.667 323 D HN 0.017 nan 8.370 nan 0.000 0.536 324 L N 3.188 124.419 121.223 0.015 0.000 2.464 324 L HA 0.500 4.842 4.340 0.003 0.000 0.266 324 L C -1.672 175.209 176.870 0.018 0.000 0.965 324 L CA -0.557 54.290 54.840 0.012 0.000 0.833 324 L CB 1.722 43.780 42.059 -0.002 0.000 1.296 324 L HN 0.269 nan 8.230 nan 0.000 0.405 325 N N 3.944 122.660 118.700 0.028 0.000 2.430 325 N HA 0.197 4.939 4.740 0.003 0.000 0.290 325 N C -1.433 174.107 175.510 0.050 0.000 1.063 325 N CA -0.641 52.430 53.050 0.034 0.000 0.883 325 N CB 2.713 41.222 38.487 0.036 0.000 1.465 325 N HN 0.643 nan 8.380 nan 0.000 0.493 326 E N 2.948 123.177 120.200 0.048 0.000 2.414 326 E HA 0.166 4.518 4.350 0.003 0.000 0.263 326 E C -0.296 176.355 176.600 0.085 0.000 1.000 326 E CA -0.115 56.328 56.400 0.071 0.000 0.914 326 E CB 0.551 30.285 29.700 0.056 0.000 0.948 326 E HN 0.527 nan 8.360 nan 0.000 0.444 327 I N 0.359 121.006 120.570 0.129 0.000 3.067 327 I HA 0.704 4.876 4.170 0.003 0.000 0.312 327 I C -0.225 175.944 176.117 0.086 0.000 1.073 327 I CA -1.482 59.878 61.300 0.101 0.000 1.016 327 I CB 1.627 39.690 38.000 0.105 0.000 1.227 327 I HN 0.492 nan 8.210 nan 0.000 0.456 328 A N 1.573 124.400 122.820 0.010 0.000 2.386 328 A HA 0.579 4.900 4.320 0.003 0.000 0.248 328 A C 1.241 178.695 177.584 -0.216 0.000 1.082 328 A CA 0.209 52.215 52.037 -0.052 0.000 0.789 328 A CB 0.506 19.471 19.000 -0.058 0.000 1.025 328 A HN 1.102 nan 8.150 nan 0.000 0.490 329 A N 2.036 124.650 122.820 -0.343 0.000 2.070 329 A HA 0.223 4.544 4.320 0.003 0.000 0.220 329 A C 1.533 178.722 177.584 -0.659 0.000 1.159 329 A CA 1.694 53.198 52.037 -0.888 0.000 0.656 329 A CB -1.831 16.847 19.000 -0.537 0.000 0.800 329 A HN 2.539 nan 8.150 nan 0.000 0.453 330 N N 1.006 119.513 118.700 -0.323 0.000 2.691 330 N HA -0.168 4.574 4.740 0.003 0.000 0.277 330 N C -0.020 175.374 175.510 -0.193 0.000 1.029 330 N CA 1.353 54.282 53.050 -0.201 0.000 0.798 330 N CB -1.849 36.544 38.487 -0.157 0.000 0.922 330 N HN 0.962 nan 8.380 nan 0.000 0.562 331 E N -0.746 119.370 120.200 -0.140 0.000 2.283 331 E HA 0.433 4.784 4.350 0.003 0.000 0.267 331 E C 0.007 176.626 176.600 0.031 0.000 1.045 331 E CA -0.989 55.366 56.400 -0.076 0.000 0.884 331 E CB 1.093 30.759 29.700 -0.057 0.000 1.106 331 E HN 0.532 nan 8.360 nan 0.000 0.408 332 R N 1.222 121.771 120.500 0.082 0.000 2.695 332 R HA -0.165 4.177 4.340 0.003 0.000 0.304 332 R C -0.319 176.152 176.300 0.284 0.000 0.836 332 R CA 0.752 56.947 56.100 0.159 0.000 1.135 332 R CB 0.010 30.457 30.300 0.246 0.000 0.882 332 R HN 0.419 nan 8.270 nan 0.000 0.413 333 Q N 1.503 121.368 119.800 0.107 0.000 2.235 333 Q HA 0.161 4.502 4.340 0.003 0.000 0.256 333 Q C -1.064 174.828 176.000 -0.181 0.000 0.951 333 Q CA -0.387 55.465 55.803 0.081 0.000 0.890 333 Q CB 1.550 30.305 28.738 0.028 0.000 1.279 333 Q HN 0.415 nan 8.270 nan 0.000 0.444 334 D N 1.099 121.332 120.400 -0.278 0.000 2.359 334 D HA 0.097 4.738 4.640 0.003 0.000 0.230 334 D C 0.096 176.295 176.300 -0.169 0.000 1.118 334 D CA -0.048 53.689 54.000 -0.438 0.000 0.844 334 D CB 1.120 41.580 40.800 -0.566 0.000 1.059 334 D HN 0.735 nan 8.370 nan 0.000 0.493 335 T N 0.610 115.073 114.554 -0.152 0.000 3.107 335 T HA 0.335 4.687 4.350 0.003 0.000 0.249 335 T C 0.958 175.619 174.700 -0.066 0.000 1.096 335 T CA -0.250 61.801 62.100 -0.082 0.000 1.012 335 T CB 0.238 69.065 68.868 -0.068 0.000 0.977 335 T HN 0.352 nan 8.240 nan 0.000 0.527 336 A N 2.852 125.622 122.820 -0.083 0.000 2.425 336 A HA 0.548 4.869 4.320 0.003 0.000 0.242 336 A C -2.246 175.313 177.584 -0.040 0.000 1.077 336 A CA -1.257 50.740 52.037 -0.065 0.000 0.781 336 A CB -0.283 18.665 19.000 -0.087 0.000 1.020 336 A HN 0.304 nan 8.150 nan 0.000 0.494 337 P HA 0.137 nan 4.420 nan 0.000 0.272 337 P C -0.159 177.134 177.300 -0.012 0.000 1.223 337 P CA -0.370 62.719 63.100 -0.019 0.000 0.784 337 P CB 0.410 32.099 31.700 -0.020 0.000 0.923 338 E N 1.151 121.350 120.200 -0.000 0.000 2.413 338 E HA 0.145 4.497 4.350 0.003 0.000 0.263 338 E C 1.105 177.706 176.600 0.001 0.000 1.015 338 E CA 0.818 57.223 56.400 0.009 0.000 0.916 338 E CB -0.382 29.327 29.700 0.015 0.000 0.947 338 E HN 0.755 nan 8.360 nan 0.000 0.440 339 G N 2.350 111.152 108.800 0.003 0.000 2.245 339 G HA2 -0.400 3.562 3.960 0.003 0.000 0.264 339 G HA3 -0.400 3.562 3.960 0.003 0.000 0.264 339 G C 0.564 175.451 174.900 -0.021 0.000 0.985 339 G CA 0.695 45.791 45.100 -0.006 0.000 0.625 339 G HN 0.740 nan 8.290 nan 0.000 0.536 340 E N -0.083 120.100 120.200 -0.028 0.000 2.499 340 E HA 0.628 4.979 4.350 0.003 0.000 0.207 340 E C 0.450 177.008 176.600 -0.070 0.000 1.034 340 E CA 0.525 56.898 56.400 -0.045 0.000 1.098 340 E CB 0.160 29.836 29.700 -0.041 0.000 1.148 340 E HN 0.528 nan 8.360 nan 0.000 0.447 341 K N 0.488 120.842 120.400 -0.076 0.000 2.098 341 K HA 0.428 4.749 4.320 0.003 0.000 0.261 341 K C 0.256 176.730 176.600 -0.210 0.000 0.987 341 K CA -0.711 55.493 56.287 -0.138 0.000 0.916 341 K CB 1.321 33.777 32.500 -0.073 0.000 1.039 341 K HN 0.316 nan 8.250 nan 0.000 0.455 342 R N 1.358 121.637 120.500 -0.368 0.000 2.641 342 R HA 0.255 4.597 4.340 0.003 0.000 0.269 342 R C -0.989 175.106 176.300 -0.343 0.000 1.074 342 R CA -0.247 55.642 56.100 -0.351 0.000 1.133 342 R CB 0.564 30.637 30.300 -0.378 0.000 1.029 342 R HN 0.307 nan 8.270 nan 0.000 0.488 343 V N 3.013 122.853 119.914 -0.123 0.000 2.487 343 V HA 0.142 4.263 4.120 0.003 0.000 0.298 343 V C -0.594 175.552 176.094 0.088 0.000 1.028 343 V CA -0.766 61.545 62.300 0.018 0.000 0.860 343 V CB 1.612 33.431 31.823 -0.008 0.000 0.991 343 V HN 0.737 nan 8.190 nan 0.000 0.427 344 E N 3.731 124.063 120.200 0.221 0.000 2.223 344 E HA 0.364 4.715 4.350 0.003 0.000 0.282 344 E C 0.030 176.670 176.600 0.066 0.000 1.046 344 E CA 0.146 56.656 56.400 0.184 0.000 0.857 344 E CB 0.950 30.781 29.700 0.217 0.000 1.055 344 E HN 0.585 nan 8.360 nan 0.000 0.409 345 L N 3.723 124.988 121.223 0.069 0.000 2.766 345 L HA 0.318 4.660 4.340 0.003 0.000 0.242 345 L C 0.228 177.175 176.870 0.128 0.000 1.136 345 L CA -0.147 54.715 54.840 0.038 0.000 0.933 345 L CB 0.216 42.245 42.059 -0.049 0.000 1.241 345 L HN 0.566 nan 8.230 nan 0.000 0.522 346 H N 0.967 120.055 119.070 0.030 0.000 3.177 346 H HA 0.601 5.158 4.556 0.003 0.000 0.314 346 H C -1.509 173.778 175.328 -0.068 0.000 1.059 346 H CA -0.537 55.531 56.048 0.033 0.000 1.515 346 H CB 1.307 31.168 29.762 0.165 0.000 1.672 346 H HN -0.004 nan 8.280 nan 0.000 0.514 347 L N 5.122 126.371 121.223 0.044 0.000 2.513 347 L HA 0.441 4.783 4.340 0.003 0.000 0.261 347 L C -1.612 175.106 176.870 -0.253 0.000 0.945 347 L CA -0.588 54.181 54.840 -0.118 0.000 0.848 347 L CB 1.879 43.815 42.059 -0.206 0.000 1.334 347 L HN 0.666 nan 8.230 nan 0.000 0.407 348 H N 2.359 121.300 119.070 -0.215 0.000 2.472 348 H HA 0.519 5.076 4.556 0.003 0.000 0.338 348 H C -0.500 174.766 175.328 -0.105 0.000 1.133 348 H CA -0.182 55.755 56.048 -0.186 0.000 1.216 348 H CB 2.179 31.699 29.762 -0.403 0.000 1.497 348 H HN 0.758 nan 8.280 nan 0.000 0.500 349 T N -1.116 113.491 114.554 0.087 0.000 2.919 349 T HA 0.216 4.568 4.350 0.003 0.000 0.282 349 T C -2.095 172.670 174.700 0.109 0.000 1.020 349 T CA -2.273 59.873 62.100 0.076 0.000 0.994 349 T CB 1.727 70.636 68.868 0.070 0.000 1.180 349 T HN 0.162 nan 8.240 nan 0.000 0.566 350 P HA 0.080 nan 4.420 nan 0.000 0.231 350 P C 1.234 178.594 177.300 0.101 0.000 1.158 350 P CA 0.561 63.716 63.100 0.092 0.000 0.763 350 P CB -0.059 31.678 31.700 0.061 0.000 0.805 351 M N -1.805 117.859 119.600 0.106 0.000 2.619 351 M HA 0.055 4.537 4.480 0.003 0.000 0.251 351 M C 0.583 176.973 176.300 0.149 0.000 1.106 351 M CA 0.746 56.111 55.300 0.109 0.000 1.086 351 M CB -1.083 31.574 32.600 0.095 0.000 1.465 351 M HN -0.216 nan 8.290 nan 0.000 0.506 352 S N 2.134 117.946 115.700 0.186 0.000 2.700 352 S HA 0.094 4.566 4.470 0.003 0.000 0.321 352 S C 0.435 175.152 174.600 0.195 0.000 1.161 352 S CA -0.208 58.137 58.200 0.242 0.000 1.078 352 S CB -0.330 63.062 63.200 0.320 0.000 1.302 352 S HN 0.362 nan 8.310 nan 0.000 0.540 353 Q N 4.231 124.144 119.800 0.188 0.000 3.251 353 Q HA -0.152 4.189 4.340 0.003 0.000 0.380 353 Q C 0.388 176.468 176.000 0.132 0.000 1.047 353 Q CA 0.611 56.508 55.803 0.156 0.000 1.231 353 Q CB 0.002 28.840 28.738 0.168 0.000 1.012 353 Q HN 0.621 nan 8.270 nan 0.000 0.438 354 M N 2.589 122.261 119.600 0.119 0.000 2.612 354 M HA -0.308 4.173 4.480 0.003 0.000 0.194 354 M C -0.348 176.001 176.300 0.082 0.000 0.530 354 M CA 1.482 56.840 55.300 0.095 0.000 0.548 354 M CB -1.739 30.902 32.600 0.068 0.000 2.013 354 M HN 0.767 nan 8.290 nan 0.000 0.711 355 D N -1.332 119.137 120.400 0.115 0.000 2.399 355 D HA 0.515 5.156 4.640 0.003 0.000 0.269 355 D C 0.263 176.694 176.300 0.219 0.000 1.105 355 D CA 1.012 55.086 54.000 0.124 0.000 0.844 355 D CB 0.778 41.645 40.800 0.111 0.000 1.372 355 D HN 0.496 nan 8.370 nan 0.000 0.517 356 A N -0.632 122.317 122.820 0.215 0.000 2.485 356 A HA 0.681 5.002 4.320 0.003 0.000 0.292 356 A C -0.209 177.486 177.584 0.186 0.000 1.147 356 A CA -0.434 51.754 52.037 0.253 0.000 0.750 356 A CB 1.866 20.983 19.000 0.195 0.000 1.331 356 A HN -0.034 nan 8.150 nan 0.000 0.419 357 V N -0.435 119.597 119.914 0.196 0.000 3.294 357 V HA 0.148 4.270 4.120 0.003 0.000 0.255 357 V C 0.399 176.532 176.094 0.064 0.000 1.528 357 V CA 1.238 63.614 62.300 0.127 0.000 1.086 357 V CB 0.828 32.745 31.823 0.157 0.000 0.906 357 V HN 0.874 nan 8.190 nan 0.000 0.433 358 T N 2.110 116.724 114.554 0.100 0.000 2.799 358 T HA 0.402 4.754 4.350 0.003 0.000 0.286 358 T C 0.244 174.958 174.700 0.024 0.000 0.973 358 T CA 0.071 62.199 62.100 0.046 0.000 1.035 358 T CB 1.359 70.273 68.868 0.076 0.000 0.932 358 T HN 0.492 nan 8.240 nan 0.000 0.469 359 S N 2.220 117.920 115.700 0.001 0.000 2.573 359 S HA 0.071 4.542 4.470 0.003 0.000 0.277 359 S C 1.569 176.169 174.600 0.000 0.000 1.346 359 S CA -0.740 57.463 58.200 0.006 0.000 1.034 359 S CB 0.810 64.011 63.200 0.002 0.000 0.879 359 S HN 0.485 nan 8.310 nan 0.000 0.528 360 V N 3.011 122.932 119.914 0.012 0.000 2.490 360 V HA -0.135 3.987 4.120 0.003 0.000 0.250 360 V C 2.355 178.441 176.094 -0.014 0.000 1.061 360 V CA 2.657 64.956 62.300 -0.001 0.000 1.064 360 V CB -1.376 30.465 31.823 0.031 0.000 0.670 360 V HN 1.132 nan 8.190 nan 0.000 0.461 361 T N -0.147 114.411 114.554 0.006 0.000 2.652 361 T HA -0.242 4.109 4.350 0.003 0.000 0.267 361 T C 1.915 176.584 174.700 -0.052 0.000 1.039 361 T CA 2.061 64.165 62.100 0.007 0.000 1.153 361 T CB -0.239 68.655 68.868 0.044 0.000 0.863 361 T HN 0.356 nan 8.240 nan 0.000 0.428 362 K N 0.428 120.800 120.400 -0.046 0.000 2.063 362 K HA -0.012 4.309 4.320 0.003 0.000 0.208 362 K C 2.043 178.577 176.600 -0.111 0.000 1.048 362 K CA 0.824 57.065 56.287 -0.077 0.000 0.928 362 K CB -0.538 31.932 32.500 -0.049 0.000 0.713 362 K HN 0.076 nan 8.250 nan 0.000 0.442 363 L N 0.666 121.842 121.223 -0.079 0.000 2.017 363 L HA -0.116 4.226 4.340 0.003 0.000 0.208 363 L C 2.038 178.854 176.870 -0.090 0.000 1.073 363 L CA 1.620 56.415 54.840 -0.075 0.000 0.745 363 L CB -0.662 41.320 42.059 -0.127 0.000 0.894 363 L HN 0.214 nan 8.230 nan 0.000 0.432 364 I N -0.783 119.717 120.570 -0.117 0.000 2.226 364 I HA -0.300 3.872 4.170 0.003 0.000 0.245 364 I C 2.549 178.519 176.117 -0.245 0.000 1.100 364 I CA 1.256 62.479 61.300 -0.130 0.000 1.374 364 I CB -0.191 37.756 38.000 -0.089 0.000 1.057 364 I HN 0.408 nan 8.210 nan 0.000 0.413 365 E N 0.576 120.544 120.200 -0.386 0.000 2.072 365 E HA -0.316 4.035 4.350 0.003 0.000 0.191 365 E C 2.164 178.522 176.600 -0.403 0.000 0.985 365 E CA 1.263 57.314 56.400 -0.582 0.000 0.801 365 E CB 0.023 29.365 29.700 -0.596 0.000 0.750 365 E HN 0.312 nan 8.360 nan 0.000 0.452 366 Q N 0.782 120.350 119.800 -0.386 0.000 2.096 366 Q HA -0.149 4.193 4.340 0.003 0.000 0.204 366 Q C 1.835 177.390 176.000 -0.742 0.000 0.982 366 Q CA 2.112 57.528 55.803 -0.645 0.000 0.850 366 Q CB -0.536 27.788 28.738 -0.689 0.000 0.901 366 Q HN 0.345 nan 8.270 nan 0.000 0.422 367 A N 0.288 122.894 122.820 -0.357 0.000 1.883 367 A HA -0.228 4.094 4.320 0.003 0.000 0.217 367 A C 2.068 179.544 177.584 -0.180 0.000 1.186 367 A CA 2.042 53.924 52.037 -0.258 0.000 0.624 367 A CB -0.695 18.328 19.000 0.039 0.000 0.822 367 A HN 0.342 nan 8.150 nan 0.000 0.444 368 K N 0.225 120.538 120.400 -0.145 0.000 2.009 368 K HA -0.143 4.179 4.320 0.003 0.000 0.210 368 K C 1.965 178.534 176.600 -0.051 0.000 1.049 368 K CA 2.153 58.402 56.287 -0.063 0.000 0.929 368 K CB -0.388 32.072 32.500 -0.067 0.000 0.714 368 K HN 0.450 nan 8.250 nan 0.000 0.440 369 K N -0.985 119.329 120.400 -0.144 0.000 2.044 369 K HA -0.180 4.142 4.320 0.003 0.000 0.210 369 K C 1.915 178.541 176.600 0.043 0.000 1.049 369 K CA 1.681 57.907 56.287 -0.101 0.000 0.927 369 K CB -0.280 32.081 32.500 -0.232 0.000 0.713 369 K HN 0.280 nan 8.250 nan 0.000 0.443 370 W N -0.298 120.921 121.300 -0.136 0.000 2.519 370 W HA 0.063 4.724 4.660 0.002 0.000 0.266 370 W C 1.269 177.820 176.519 0.054 0.000 1.253 370 W CA 1.363 58.648 57.345 -0.101 0.000 1.274 370 W CB -0.570 28.706 29.460 -0.307 0.000 1.114 370 W HN 0.443 nan 8.180 nan 0.000 0.596 371 G N -0.686 108.268 108.800 0.257 0.000 2.131 371 G HA2 -0.246 3.715 3.960 0.003 0.000 0.223 371 G HA3 -0.246 3.715 3.960 0.003 0.000 0.223 371 G C 0.090 175.159 174.900 0.281 0.000 0.990 371 G CA -0.216 45.012 45.100 0.214 0.000 0.671 371 G HN 0.461 nan 8.290 nan 0.000 0.521 372 H N 0.822 119.965 119.070 0.122 0.000 2.848 372 H HA 0.171 4.729 4.556 0.003 0.000 0.341 372 H C -1.138 174.232 175.328 0.071 0.000 1.060 372 H CA -0.893 55.218 56.048 0.105 0.000 1.444 372 H CB 1.400 31.264 29.762 0.169 0.000 1.446 372 H HN 0.138 nan 8.280 nan 0.000 0.583 373 P HA 0.056 nan 4.420 nan 0.000 0.237 373 P C -0.247 177.095 177.300 0.071 0.000 1.178 373 P CA 0.628 63.777 63.100 0.082 0.000 0.766 373 P CB 0.697 32.419 31.700 0.037 0.000 0.876 374 A N -0.913 121.967 122.820 0.101 0.000 2.544 374 A HA 0.702 5.023 4.320 0.003 0.000 0.291 374 A C -1.947 175.692 177.584 0.092 0.000 1.055 374 A CA -0.562 51.509 52.037 0.057 0.000 0.651 374 A CB 0.661 19.666 19.000 0.008 0.000 1.296 374 A HN 0.031 nan 8.150 nan 0.000 0.431 375 I N -0.310 120.271 120.570 0.018 0.000 2.775 375 I HA 0.691 4.862 4.170 0.003 0.000 0.295 375 I C -0.469 175.592 176.117 -0.094 0.000 1.287 375 I CA -0.645 60.662 61.300 0.011 0.000 1.029 375 I CB 1.939 39.951 38.000 0.020 0.000 1.282 375 I HN 1.313 nan 8.210 nan 0.000 0.426 376 A N 6.264 129.028 122.820 -0.094 0.000 2.325 376 A HA 0.793 5.115 4.320 0.003 0.000 0.333 376 A C -1.323 176.184 177.584 -0.128 0.000 1.155 376 A CA -0.486 51.477 52.037 -0.123 0.000 0.814 376 A CB 1.614 20.573 19.000 -0.069 0.000 1.206 376 A HN 0.429 nan 8.150 nan 0.000 0.482 377 V N 2.105 121.947 119.914 -0.120 0.000 2.357 377 V HA 0.564 4.686 4.120 0.003 0.000 0.284 377 V C 0.226 176.348 176.094 0.048 0.000 1.018 377 V CA 0.172 62.451 62.300 -0.034 0.000 0.841 377 V CB 1.314 33.161 31.823 0.040 0.000 0.991 377 V HN 1.063 nan 8.190 nan 0.000 0.437 378 T N -0.411 114.111 114.554 -0.054 0.000 3.418 378 T HA 0.342 4.694 4.350 0.003 0.000 0.315 378 T C -0.479 174.079 174.700 -0.237 0.000 1.447 378 T CA -0.745 61.301 62.100 -0.091 0.000 1.641 378 T CB 0.090 68.858 68.868 -0.168 0.000 0.904 378 T HN 0.423 nan 8.240 nan 0.000 0.640 379 D N 1.876 122.237 120.400 -0.064 0.000 2.357 379 D HA 0.112 4.754 4.640 0.003 0.000 0.242 379 D C 0.270 176.631 176.300 0.103 0.000 1.153 379 D CA -0.061 53.944 54.000 0.009 0.000 0.918 379 D CB 0.609 41.479 40.800 0.116 0.000 1.181 379 D HN 0.608 nan 8.370 nan 0.000 0.435 380 H N 0.684 119.855 119.070 0.168 0.000 3.026 380 H HA 0.263 4.821 4.556 0.003 0.000 0.289 380 H C 0.900 176.284 175.328 0.093 0.000 1.022 380 H CA 0.536 56.663 56.048 0.131 0.000 1.477 380 H CB -0.056 29.814 29.762 0.179 0.000 1.510 380 H HN 0.469 nan 8.280 nan 0.000 0.535 381 A N 2.337 124.959 122.820 -0.330 0.000 3.768 381 A HA -0.229 4.092 4.320 0.003 0.000 0.270 381 A C 0.492 178.082 177.584 0.010 0.000 1.019 381 A CA 1.649 53.515 52.037 -0.286 0.000 1.058 381 A CB -2.362 16.331 19.000 -0.511 0.000 1.085 381 A HN 1.221 nan 8.150 nan 0.000 0.857 382 V N -4.182 115.770 119.914 0.063 0.000 3.130 382 V HA 0.846 4.967 4.120 0.003 0.000 0.310 382 V C 0.518 176.650 176.094 0.064 0.000 1.158 382 V CA -0.061 62.335 62.300 0.160 0.000 1.029 382 V CB 2.134 34.132 31.823 0.291 0.000 1.057 382 V HN 1.517 nan 8.190 nan 0.000 0.436 383 V N -0.931 119.015 119.914 0.053 0.000 2.854 383 V HA 0.414 4.536 4.120 0.003 0.000 0.366 383 V C 1.006 177.042 176.094 -0.095 0.000 1.322 383 V CA 0.249 62.333 62.300 -0.360 0.000 1.243 383 V CB -0.516 30.626 31.823 -1.136 0.000 1.337 383 V HN 0.939 nan 8.190 nan 0.000 0.585 384 Q N 0.236 120.079 119.800 0.072 0.000 2.515 384 Q HA 0.096 4.437 4.340 0.003 0.000 0.212 384 Q C 1.910 177.971 176.000 0.101 0.000 0.970 384 Q CA 1.064 56.907 55.803 0.068 0.000 0.941 384 Q CB 0.190 28.878 28.738 -0.083 0.000 0.998 384 Q HN 0.690 nan 8.270 nan 0.000 0.518 385 S N -0.646 115.163 115.700 0.183 0.000 2.535 385 S HA 0.058 4.529 4.470 0.003 0.000 0.214 385 S C 0.853 175.677 174.600 0.374 0.000 0.980 385 S CA -0.230 58.107 58.200 0.228 0.000 0.907 385 S CB 0.114 63.439 63.200 0.210 0.000 0.790 385 S HN 0.314 nan 8.310 nan 0.000 0.510 386 F N 2.488 122.534 119.950 0.159 0.000 2.063 386 F HA -0.074 4.454 4.527 0.003 0.000 0.298 386 F C -0.549 175.297 175.800 0.077 0.000 1.109 386 F CA 0.854 58.981 58.000 0.211 0.000 1.212 386 F CB -2.327 36.805 39.000 0.220 0.000 0.973 386 F HN 0.209 nan 8.300 nan 0.000 0.480 387 P HA -0.188 nan 4.420 nan 0.000 0.215 387 P C 1.681 179.046 177.300 0.108 0.000 1.157 387 P CA 1.925 65.007 63.100 -0.030 0.000 0.868 387 P CB -0.118 31.438 31.700 -0.241 0.000 0.788 388 E N -0.457 119.804 120.200 0.101 0.000 2.106 388 E HA -0.155 4.196 4.350 0.003 0.000 0.192 388 E C 1.929 178.616 176.600 0.144 0.000 0.984 388 E CA 0.977 57.441 56.400 0.106 0.000 0.806 388 E CB -0.458 29.291 29.700 0.082 0.000 0.750 388 E HN 0.019 nan 8.360 nan 0.000 0.458 389 A N 0.817 123.754 122.820 0.196 0.000 1.883 389 A HA -0.236 4.085 4.320 0.003 0.000 0.217 389 A C 2.081 179.824 177.584 0.266 0.000 1.186 389 A CA 1.628 53.777 52.037 0.187 0.000 0.624 389 A CB -1.059 18.042 19.000 0.169 0.000 0.822 389 A HN 0.539 nan 8.150 nan 0.000 0.444 390 Y N 1.444 121.867 120.300 0.205 0.000 2.053 390 Y HA -0.239 4.313 4.550 0.002 0.000 0.277 390 Y C 2.853 178.809 175.900 0.094 0.000 1.159 390 Y CA 1.389 59.593 58.100 0.174 0.000 1.125 390 Y CB -0.982 37.535 38.460 0.096 0.000 0.969 390 Y HN 0.327 nan 8.280 nan 0.000 0.492 391 S N 0.204 115.923 115.700 0.031 0.000 2.368 391 S HA -0.326 4.145 4.470 0.003 0.000 0.226 391 S C 2.282 176.863 174.600 -0.030 0.000 1.044 391 S CA 1.745 59.895 58.200 -0.084 0.000 1.062 391 S CB -1.024 62.169 63.200 -0.012 0.000 0.931 391 S HN 0.646 nan 8.310 nan 0.000 0.440 392 A N 1.347 124.205 122.820 0.063 0.000 1.898 392 A HA 0.163 4.484 4.320 0.003 0.000 0.216 392 A C 2.374 180.042 177.584 0.141 0.000 1.181 392 A CA 1.721 53.842 52.037 0.141 0.000 0.620 392 A CB -1.167 17.924 19.000 0.152 0.000 0.819 392 A HN 0.533 nan 8.150 nan 0.000 0.442 393 A N 0.002 122.884 122.820 0.103 0.000 1.873 393 A HA -0.255 4.066 4.320 0.003 0.000 0.218 393 A C 2.149 179.761 177.584 0.047 0.000 1.193 393 A CA 2.132 54.227 52.037 0.097 0.000 0.629 393 A CB -0.527 18.575 19.000 0.170 0.000 0.826 393 A HN 0.545 nan 8.150 nan 0.000 0.447 394 K N -0.782 119.589 120.400 -0.049 0.000 2.057 394 K HA -0.152 4.170 4.320 0.003 0.000 0.206 394 K C 2.248 178.793 176.600 -0.092 0.000 1.050 394 K CA 1.620 57.844 56.287 -0.105 0.000 0.935 394 K CB -0.139 32.212 32.500 -0.249 0.000 0.715 394 K HN 0.450 nan 8.250 nan 0.000 0.439 395 K N 0.482 120.811 120.400 -0.119 0.000 2.032 395 K HA -0.166 4.155 4.320 0.003 0.000 0.209 395 K C 1.574 178.015 176.600 -0.265 0.000 1.048 395 K CA 1.554 57.713 56.287 -0.215 0.000 0.927 395 K CB -0.006 32.323 32.500 -0.284 0.000 0.712 395 K HN 0.255 nan 8.250 nan 0.000 0.441 396 H N -1.191 117.863 119.070 -0.026 0.000 2.551 396 H HA 0.200 4.757 4.556 0.003 0.000 0.271 396 H C 0.509 175.831 175.328 -0.010 0.000 0.984 396 H CA 0.652 56.689 56.048 -0.019 0.000 1.164 396 H CB 0.468 30.218 29.762 -0.021 0.000 1.437 396 H HN 0.488 nan 8.280 nan 0.000 0.550 397 G N 2.072 110.914 108.800 0.070 0.000 2.338 397 G HA2 -0.301 3.661 3.960 0.003 0.000 0.296 397 G HA3 -0.301 3.661 3.960 0.003 0.000 0.296 397 G C 0.056 174.996 174.900 0.067 0.000 1.040 397 G CA 0.697 45.828 45.100 0.053 0.000 1.004 397 G HN 0.271 nan 8.290 nan 0.000 0.509 398 M N -0.227 119.419 119.600 0.077 0.000 2.508 398 M HA 0.643 5.124 4.480 0.003 0.000 0.327 398 M C 0.069 176.395 176.300 0.043 0.000 1.160 398 M CA -1.464 53.870 55.300 0.057 0.000 0.980 398 M CB 1.322 33.951 32.600 0.048 0.000 1.693 398 M HN 0.134 nan 8.290 nan 0.000 0.452 399 K N 3.770 124.187 120.400 0.028 0.000 2.262 399 K HA 0.512 4.833 4.320 0.003 0.000 0.282 399 K C -1.727 174.843 176.600 -0.051 0.000 1.066 399 K CA -0.463 55.830 56.287 0.010 0.000 0.901 399 K CB 0.571 33.079 32.500 0.013 0.000 1.089 399 K HN 0.668 nan 8.250 nan 0.000 0.476 400 V N 6.609 126.452 119.914 -0.119 0.000 2.481 400 V HA 0.314 4.436 4.120 0.003 0.000 0.286 400 V C 0.147 175.953 176.094 -0.480 0.000 1.042 400 V CA -0.737 61.356 62.300 -0.346 0.000 0.928 400 V CB 1.425 32.927 31.823 -0.534 0.000 0.986 400 V HN 0.687 nan 8.190 nan 0.000 0.462 401 I N 5.290 125.611 120.570 -0.416 0.000 2.307 401 I HA 0.311 4.482 4.170 0.003 0.000 0.289 401 I C -0.880 174.997 176.117 -0.400 0.000 1.021 401 I CA -0.447 60.671 61.300 -0.304 0.000 1.224 401 I CB 0.557 38.468 38.000 -0.147 0.000 1.376 401 I HN 0.520 nan 8.210 nan 0.000 0.470 402 Y N 5.331 125.499 120.300 -0.220 0.000 2.486 402 Y HA 0.467 5.018 4.550 0.002 0.000 0.348 402 Y C 1.015 176.914 175.900 -0.002 0.000 1.000 402 Y CA -0.081 57.779 58.100 -0.399 0.000 1.253 402 Y CB 0.798 38.713 38.460 -0.908 0.000 1.140 402 Y HN 0.638 nan 8.280 nan 0.000 0.526 403 G N 2.615 111.595 108.800 0.299 0.000 3.262 403 G HA2 0.780 4.742 3.960 0.003 0.000 0.229 403 G HA3 0.780 4.742 3.960 0.003 0.000 0.229 403 G C -1.731 173.365 174.900 0.326 0.000 1.280 403 G CA -0.885 44.384 45.100 0.282 0.000 0.951 403 G HN 0.494 nan 8.290 nan 0.000 0.589 404 L N 0.058 121.369 121.223 0.147 0.000 2.902 404 L HA 0.310 4.652 4.340 0.003 0.000 0.261 404 L C -1.446 175.427 176.870 0.005 0.000 0.928 404 L CA -0.500 54.385 54.840 0.075 0.000 1.024 404 L CB 2.116 44.222 42.059 0.078 0.000 1.629 404 L HN 0.750 nan 8.230 nan 0.000 0.478 405 E N 3.507 123.687 120.200 -0.032 0.000 2.167 405 E HA 0.673 5.025 4.350 0.003 0.000 0.284 405 E C -0.896 175.669 176.600 -0.057 0.000 1.016 405 E CA -0.218 56.163 56.400 -0.031 0.000 0.817 405 E CB 1.617 31.333 29.700 0.027 0.000 1.080 405 E HN 0.628 nan 8.360 nan 0.000 0.397 406 A N 4.668 127.452 122.820 -0.061 0.000 2.354 406 A HA 0.484 4.805 4.320 0.003 0.000 0.321 406 A C -0.702 176.797 177.584 -0.141 0.000 1.125 406 A CA -0.953 51.012 52.037 -0.120 0.000 0.799 406 A CB 1.098 20.055 19.000 -0.071 0.000 1.293 406 A HN 0.726 nan 8.150 nan 0.000 0.452 407 N N 1.495 120.084 118.700 -0.185 0.000 2.426 407 N HA 0.378 5.119 4.740 0.003 0.000 0.257 407 N C -0.929 174.431 175.510 -0.251 0.000 1.002 407 N CA -0.117 52.833 53.050 -0.166 0.000 0.942 407 N CB 1.083 39.491 38.487 -0.132 0.000 1.112 407 N HN 0.418 nan 8.380 nan 0.000 0.499 408 I N 2.136 122.436 120.570 -0.449 0.000 2.412 408 I HA 0.367 4.539 4.170 0.003 0.000 0.296 408 I C 0.481 176.155 176.117 -0.738 0.000 0.987 408 I CA -1.076 59.852 61.300 -0.620 0.000 1.180 408 I CB 1.346 38.871 38.000 -0.791 0.000 1.340 408 I HN 0.123 nan 8.210 nan 0.000 0.455 409 V N 2.028 121.704 119.914 -0.397 0.000 2.769 409 V HA 0.599 4.720 4.120 0.003 0.000 0.312 409 V C -0.606 175.423 176.094 -0.108 0.000 1.061 409 V CA -0.762 61.403 62.300 -0.225 0.000 0.931 409 V CB 2.154 33.895 31.823 -0.137 0.000 1.010 409 V HN 0.665 nan 8.190 nan 0.000 0.433 410 D N 3.173 123.580 120.400 0.011 0.000 2.308 410 D HA 0.484 5.125 4.640 0.003 0.000 0.251 410 D C -0.452 175.841 176.300 -0.012 0.000 1.127 410 D CA 0.354 54.367 54.000 0.022 0.000 0.876 410 D CB 0.892 41.730 40.800 0.065 0.000 1.176 410 D HN 0.962 nan 8.370 nan 0.000 0.446 619 F N -1.380 118.651 119.950 0.134 0.000 2.598 619 F HA 0.668 5.196 4.527 0.002 0.000 0.327 619 F C -0.077 175.920 175.800 0.328 0.000 1.057 619 F CA -0.980 57.134 58.000 0.190 0.000 0.957 619 F CB 1.489 40.566 39.000 0.129 0.000 1.278 619 F HN 0.089 nan 8.300 nan 0.000 0.484 620 H N 0.909 120.195 119.070 0.359 0.000 2.489 620 H HA 0.615 5.173 4.556 0.002 0.000 0.322 620 H C -0.527 174.997 175.328 0.325 0.000 1.091 620 H CA -1.020 55.189 56.048 0.268 0.000 1.291 620 H CB 2.043 31.961 29.762 0.260 0.000 1.436 620 H HN 0.692 nan 8.280 nan 0.000 0.480 621 V N 0.961 121.072 119.914 0.328 0.000 2.960 621 V HA 0.501 4.622 4.120 0.003 0.000 0.315 621 V C 0.055 176.226 176.094 0.129 0.000 1.087 621 V CA -0.841 61.630 62.300 0.285 0.000 0.982 621 V CB 2.024 34.081 31.823 0.390 0.000 1.039 621 V HN 0.659 nan 8.190 nan 0.000 0.437 622 T N 4.571 119.162 114.554 0.062 0.000 2.767 622 T HA 0.676 5.028 4.350 0.003 0.000 0.284 622 T C -0.350 174.402 174.700 0.085 0.000 0.973 622 T CA -0.145 61.963 62.100 0.014 0.000 0.996 622 T CB 0.670 69.538 68.868 -0.001 0.000 0.927 622 T HN 0.619 nan 8.240 nan 0.000 0.456 623 L N 4.384 125.662 121.223 0.091 0.000 2.305 623 L HA 0.571 4.913 4.340 0.003 0.000 0.284 623 L C -0.543 176.414 176.870 0.145 0.000 1.013 623 L CA -0.820 54.091 54.840 0.117 0.000 0.819 623 L CB 1.159 43.270 42.059 0.087 0.000 1.227 623 L HN 0.381 nan 8.230 nan 0.000 0.417 624 L N 3.298 124.622 121.223 0.170 0.000 2.313 624 L HA 0.669 5.010 4.340 0.003 0.000 0.283 624 L C 0.218 177.150 176.870 0.103 0.000 1.013 624 L CA -0.624 54.294 54.840 0.131 0.000 0.816 624 L CB 1.917 44.040 42.059 0.108 0.000 1.236 624 L HN 0.669 nan 8.230 nan 0.000 0.419 625 A N 2.756 125.637 122.820 0.100 0.000 2.320 625 A HA 0.355 4.676 4.320 0.003 0.000 0.287 625 A C 0.649 178.255 177.584 0.038 0.000 1.181 625 A CA -0.320 51.758 52.037 0.069 0.000 0.831 625 A CB 0.627 19.674 19.000 0.079 0.000 1.102 625 A HN 0.910 nan 8.150 nan 0.000 0.513 626 Q N 1.155 120.965 119.800 0.017 0.000 2.354 626 Q HA 0.045 4.387 4.340 0.003 0.000 0.203 626 Q C -0.038 175.957 176.000 -0.008 0.000 0.933 626 Q CA 1.057 56.862 55.803 0.004 0.000 0.901 626 Q CB 0.030 28.768 28.738 0.000 0.000 1.007 626 Q HN 0.962 nan 8.270 nan 0.000 0.495 627 N N -1.667 117.019 118.700 -0.024 0.000 3.179 627 N HA -0.010 4.732 4.740 0.003 0.000 0.250 627 N C -0.489 174.973 175.510 -0.081 0.000 1.507 627 N CA -0.547 52.476 53.050 -0.044 0.000 0.883 627 N CB 0.383 38.848 38.487 -0.036 0.000 1.435 627 N HN -0.164 nan 8.380 nan 0.000 0.532 628 E N -1.109 119.032 120.200 -0.098 0.000 2.204 628 E HA -0.053 4.299 4.350 0.003 0.000 0.194 628 E C 0.897 177.409 176.600 -0.147 0.000 0.989 628 E CA 1.756 58.067 56.400 -0.148 0.000 0.824 628 E CB -0.605 29.007 29.700 -0.148 0.000 0.756 628 E HN 0.643 nan 8.360 nan 0.000 0.477 629 T N 0.610 115.104 114.554 -0.099 0.000 2.684 629 T HA -0.136 4.215 4.350 0.003 0.000 0.267 629 T C 1.992 176.641 174.700 -0.085 0.000 1.036 629 T CA 1.526 63.576 62.100 -0.084 0.000 1.148 629 T CB -0.783 68.052 68.868 -0.055 0.000 0.863 629 T HN 0.492 nan 8.240 nan 0.000 0.436 630 G N 1.155 109.913 108.800 -0.069 0.000 2.422 630 G HA2 -0.126 3.836 3.960 0.003 0.000 0.218 630 G HA3 -0.126 3.836 3.960 0.003 0.000 0.218 630 G C 1.531 176.387 174.900 -0.074 0.000 1.146 630 G CA 0.739 45.811 45.100 -0.046 0.000 0.769 630 G HN 0.409 nan 8.290 nan 0.000 0.547 631 L N 0.710 121.845 121.223 -0.146 0.000 1.994 631 L HA 0.096 4.437 4.340 0.003 0.000 0.208 631 L C 2.682 179.283 176.870 -0.447 0.000 1.071 631 L CA 2.562 57.242 54.840 -0.266 0.000 0.745 631 L CB -0.576 41.253 42.059 -0.383 0.000 0.892 631 L HN 0.228 nan 8.230 nan 0.000 0.431 632 K N -0.443 119.717 120.400 -0.400 0.000 2.063 632 K HA -0.240 4.081 4.320 0.003 0.000 0.208 632 K C 1.928 178.413 176.600 -0.191 0.000 1.048 632 K CA 2.182 58.265 56.287 -0.341 0.000 0.928 632 K CB -0.265 32.108 32.500 -0.210 0.000 0.713 632 K HN 0.542 nan 8.250 nan 0.000 0.442 633 N N 0.314 118.942 118.700 -0.121 0.000 2.104 633 N HA -0.150 4.591 4.740 0.003 0.000 0.190 633 N C 1.801 177.268 175.510 -0.072 0.000 1.024 633 N CA 1.116 54.127 53.050 -0.064 0.000 0.853 633 N CB -0.051 38.445 38.487 0.016 0.000 1.008 633 N HN 0.125 nan 8.380 nan 0.000 0.424 634 L N 0.040 121.255 121.223 -0.013 0.000 2.012 634 L HA -0.196 4.146 4.340 0.003 0.000 0.210 634 L C 1.884 178.836 176.870 0.136 0.000 1.073 634 L CA 1.379 56.266 54.840 0.078 0.000 0.748 634 L CB -0.550 41.635 42.059 0.210 0.000 0.891 634 L HN 0.293 nan 8.230 nan 0.000 0.431 635 F N 0.053 119.923 119.950 -0.132 0.000 2.234 635 F HA -0.215 4.313 4.527 0.003 0.000 0.299 635 F C 2.590 178.252 175.800 -0.230 0.000 1.087 635 F CA 0.621 58.515 58.000 -0.176 0.000 1.340 635 F CB -0.078 38.872 39.000 -0.085 0.000 1.031 635 F HN 0.052 nan 8.300 nan 0.000 0.500 636 K N 0.047 120.351 120.400 -0.161 0.000 2.001 636 K HA -0.156 4.166 4.320 0.003 0.000 0.208 636 K C 1.870 178.247 176.600 -0.372 0.000 1.048 636 K CA 0.806 56.804 56.287 -0.482 0.000 0.932 636 K CB -0.291 31.815 32.500 -0.655 0.000 0.715 636 K HN 0.046 nan 8.250 nan 0.000 0.437 637 L N 0.880 121.912 121.223 -0.319 0.000 1.990 637 L HA -0.193 4.149 4.340 0.003 0.000 0.213 637 L C 2.406 179.204 176.870 -0.120 0.000 1.072 637 L CA 1.483 56.194 54.840 -0.215 0.000 0.755 637 L CB -1.129 40.849 42.059 -0.135 0.000 0.889 637 L HN 0.107 nan 8.230 nan 0.000 0.432 638 V N -1.898 117.939 119.914 -0.128 0.000 2.490 638 V HA -0.250 3.871 4.120 0.003 0.000 0.250 638 V C 2.410 178.468 176.094 -0.060 0.000 1.061 638 V CA 2.085 64.314 62.300 -0.119 0.000 1.064 638 V CB -0.182 31.428 31.823 -0.355 0.000 0.670 638 V HN 0.502 nan 8.190 nan 0.000 0.461 639 S N 0.793 116.412 115.700 -0.134 0.000 2.343 639 S HA -0.103 4.369 4.470 0.003 0.000 0.219 639 S C 1.789 176.391 174.600 0.003 0.000 1.033 639 S CA 2.080 60.236 58.200 -0.073 0.000 1.014 639 S CB -0.573 62.647 63.200 0.033 0.000 0.915 639 S HN 0.619 nan 8.310 nan 0.000 0.435 640 L N 1.966 123.186 121.223 -0.006 0.000 2.079 640 L HA -0.144 4.198 4.340 0.003 0.000 0.210 640 L C 2.745 179.734 176.870 0.199 0.000 1.081 640 L CA 1.454 56.349 54.840 0.091 0.000 0.752 640 L CB -0.843 41.302 42.059 0.144 0.000 0.896 640 L HN 0.440 nan 8.230 nan 0.000 0.433 641 S N -1.675 114.109 115.700 0.141 0.000 2.423 641 S HA -0.185 4.286 4.470 0.003 0.000 0.231 641 S C 1.692 176.358 174.600 0.109 0.000 1.014 641 S CA 0.980 59.246 58.200 0.109 0.000 0.965 641 S CB -0.471 62.715 63.200 -0.023 0.000 0.785 641 S HN 0.501 nan 8.310 nan 0.000 0.495 642 H N 0.160 119.296 119.070 0.111 0.000 2.525 642 H HA 0.454 5.012 4.556 0.002 0.000 0.275 642 H C 1.488 176.865 175.328 0.081 0.000 0.984 642 H CA 1.103 57.242 56.048 0.153 0.000 1.264 642 H CB 0.144 29.908 29.762 0.004 0.000 1.432 642 H HN 0.396 nan 8.280 nan 0.000 0.549 643 I N -0.949 119.678 120.570 0.095 0.000 4.791 643 I HA -0.043 4.128 4.170 0.003 0.000 0.235 643 I C 1.676 177.808 176.117 0.025 0.000 1.007 643 I CA -0.008 61.271 61.300 -0.034 0.000 1.764 643 I CB -0.121 37.733 38.000 -0.243 0.000 1.526 643 I HN -0.088 nan 8.210 nan 0.000 0.462 644 Q N 0.541 120.266 119.800 -0.125 0.000 2.173 644 Q HA -0.201 4.140 4.340 0.003 0.000 0.208 644 Q C 0.739 176.457 176.000 -0.470 0.000 0.989 644 Q CA 2.130 57.701 55.803 -0.388 0.000 0.872 644 Q CB -0.149 28.174 28.738 -0.690 0.000 0.909 644 Q HN 0.533 nan 8.270 nan 0.000 0.420 645 Y N -2.116 118.236 120.300 0.087 0.000 2.696 645 Y HA 0.254 4.806 4.550 0.002 0.000 0.260 645 Y C -0.509 175.446 175.900 0.092 0.000 1.165 645 Y CA -1.178 56.964 58.100 0.070 0.000 1.189 645 Y CB 0.036 38.510 38.460 0.024 0.000 1.180 645 Y HN -0.038 nan 8.280 nan 0.000 0.538 646 F N 1.640 121.645 119.950 0.092 0.000 2.502 646 F HA 0.123 4.652 4.527 0.002 0.000 0.371 646 F C 1.358 177.200 175.800 0.069 0.000 1.083 646 F CA 0.287 58.327 58.000 0.066 0.000 1.174 646 F CB 0.384 39.426 39.000 0.070 0.000 1.096 646 F HN 0.201 nan 8.300 nan 0.000 0.545 647 H N 5.323 124.158 119.070 -0.393 0.000 2.396 647 H HA 0.271 4.828 4.556 0.002 0.000 0.330 647 H C 1.767 176.902 175.328 -0.323 0.000 1.271 647 H CA 1.623 57.536 56.048 -0.225 0.000 1.927 647 H CB 0.277 29.949 29.762 -0.150 0.000 1.537 647 H HN 0.512 nan 8.280 nan 0.000 0.627 648 R N 0.599 121.006 120.500 -0.154 0.000 2.437 648 R HA 0.513 4.855 4.340 0.003 0.000 0.257 648 R C -0.015 176.033 176.300 -0.420 0.000 0.927 648 R CA 0.431 56.464 56.100 -0.112 0.000 1.078 648 R CB -0.081 30.239 30.300 0.033 0.000 1.161 648 R HN 0.172 nan 8.270 nan 0.000 0.529 649 V N 0.953 120.300 119.914 -0.944 0.000 3.167 649 V HA 0.486 4.608 4.120 0.003 0.000 0.293 649 V C -2.893 172.670 176.094 -0.885 0.000 1.379 649 V CA -2.271 59.608 62.300 -0.702 0.000 1.019 649 V CB 3.154 34.855 31.823 -0.204 0.000 1.115 649 V HN 0.216 nan 8.190 nan 0.000 0.442 650 P HA 0.369 nan 4.420 nan 0.000 0.271 650 P C -1.345 175.797 177.300 -0.264 0.000 1.216 650 P CA -0.117 62.782 63.100 -0.335 0.000 0.771 650 P CB 0.409 31.778 31.700 -0.551 0.000 0.864 651 R N 2.342 122.746 120.500 -0.161 0.000 2.764 651 R HA 0.748 5.090 4.340 0.003 0.000 0.270 651 R C -1.375 174.859 176.300 -0.109 0.000 1.014 651 R CA -1.091 54.925 56.100 -0.141 0.000 0.904 651 R CB 1.243 31.460 30.300 -0.139 0.000 1.236 651 R HN 0.259 nan 8.270 nan 0.000 0.466 652 I N 1.503 121.970 120.570 -0.172 0.000 2.439 652 I HA 0.355 4.526 4.170 0.003 0.000 0.285 652 I C -2.418 173.539 176.117 -0.266 0.000 1.021 652 I CA -2.832 58.336 61.300 -0.220 0.000 1.091 652 I CB 2.292 40.198 38.000 -0.157 0.000 1.242 652 I HN 0.368 nan 8.210 nan 0.000 0.439 653 P HA 0.067 nan 4.420 nan 0.000 0.268 653 P C 0.612 177.802 177.300 -0.183 0.000 1.205 653 P CA -0.310 62.625 63.100 -0.274 0.000 0.771 653 P CB 0.716 32.210 31.700 -0.343 0.000 0.858 654 R N 3.085 123.513 120.500 -0.121 0.000 2.117 654 R HA -0.212 4.129 4.340 0.003 0.000 0.243 654 R C 1.847 178.135 176.300 -0.021 0.000 1.143 654 R CA 2.640 58.708 56.100 -0.053 0.000 0.968 654 R CB -0.941 29.316 30.300 -0.070 0.000 0.863 654 R HN 0.529 nan 8.270 nan 0.000 0.444 655 S N -0.248 115.422 115.700 -0.050 0.000 2.382 655 S HA -0.088 4.384 4.470 0.003 0.000 0.228 655 S C 2.029 176.616 174.600 -0.020 0.000 1.027 655 S CA 1.277 59.461 58.200 -0.027 0.000 0.991 655 S CB -0.463 62.717 63.200 -0.033 0.000 0.823 655 S HN 0.190 nan 8.310 nan 0.000 0.469 656 V N 1.926 121.806 119.914 -0.057 0.000 2.515 656 V HA -0.052 4.070 4.120 0.003 0.000 0.250 656 V C 2.469 178.626 176.094 0.106 0.000 1.058 656 V CA 1.592 63.896 62.300 0.007 0.000 1.064 656 V CB -0.826 30.919 31.823 -0.129 0.000 0.675 656 V HN 0.516 nan 8.190 nan 0.000 0.461 657 L N -0.410 120.840 121.223 0.045 0.000 2.027 657 L HA -0.128 4.213 4.340 0.003 0.000 0.206 657 L C 2.491 179.413 176.870 0.086 0.000 1.074 657 L CA 1.606 56.496 54.840 0.082 0.000 0.745 657 L CB -0.177 41.938 42.059 0.093 0.000 0.898 657 L HN 0.177 nan 8.230 nan 0.000 0.433 658 V N 0.381 120.342 119.914 0.078 0.000 2.332 658 V HA -0.343 3.779 4.120 0.003 0.000 0.248 658 V C 2.625 178.704 176.094 -0.024 0.000 1.055 658 V CA 2.010 64.338 62.300 0.048 0.000 1.038 658 V CB -0.553 31.313 31.823 0.072 0.000 0.651 658 V HN 0.462 nan 8.190 nan 0.000 0.450 659 K N -0.742 119.618 120.400 -0.066 0.000 2.152 659 K HA -0.187 4.135 4.320 0.003 0.000 0.206 659 K C 1.302 177.692 176.600 -0.350 0.000 1.048 659 K CA 1.728 57.883 56.287 -0.220 0.000 0.933 659 K CB -0.095 32.231 32.500 -0.289 0.000 0.721 659 K HN 0.637 nan 8.250 nan 0.000 0.447 660 H N -1.248 117.801 119.070 -0.035 0.000 2.486 660 H HA 0.166 4.723 4.556 0.003 0.000 0.284 660 H C 1.124 176.426 175.328 -0.043 0.000 1.103 660 H CA -0.227 55.793 56.048 -0.047 0.000 1.089 660 H CB 0.678 30.405 29.762 -0.058 0.000 1.603 660 H HN 0.081 nan 8.280 nan 0.000 0.557 661 R N 0.667 121.180 120.500 0.022 0.000 2.153 661 R HA -0.066 4.276 4.340 0.003 0.000 0.218 661 R C 0.082 176.372 176.300 -0.017 0.000 1.072 661 R CA 0.321 56.418 56.100 -0.005 0.000 0.990 661 R CB 0.095 30.367 30.300 -0.046 0.000 0.889 661 R HN 0.205 nan 8.270 nan 0.000 0.452 662 D N -0.235 120.151 120.400 -0.024 0.000 2.533 662 D HA -0.000 4.642 4.640 0.003 0.000 0.236 662 D C 0.697 176.985 176.300 -0.019 0.000 1.137 662 D CA 1.854 55.838 54.000 -0.027 0.000 0.867 662 D CB 0.624 41.403 40.800 -0.034 0.000 1.170 662 D HN 0.435 nan 8.370 nan 0.000 0.474 663 G N 2.609 111.398 108.800 -0.019 0.000 2.162 663 G HA2 -0.225 3.736 3.960 0.003 0.000 0.260 663 G HA3 -0.225 3.736 3.960 0.003 0.000 0.260 663 G C 0.190 175.091 174.900 0.002 0.000 0.976 663 G CA 0.493 45.584 45.100 -0.014 0.000 0.655 663 G HN 0.511 nan 8.290 nan 0.000 0.533 664 L N 0.353 121.579 121.223 0.006 0.000 2.346 664 L HA 0.676 5.018 4.340 0.003 0.000 0.276 664 L C 0.544 177.436 176.870 0.036 0.000 1.006 664 L CA -1.138 53.719 54.840 0.029 0.000 0.817 664 L CB 1.756 43.832 42.059 0.029 0.000 1.272 664 L HN -0.037 nan 8.230 nan 0.000 0.421 665 L N 3.390 124.670 121.223 0.094 0.000 2.292 665 L HA 0.527 4.868 4.340 0.003 0.000 0.284 665 L C -0.473 176.518 176.870 0.202 0.000 1.065 665 L CA -0.800 54.142 54.840 0.170 0.000 0.806 665 L CB 1.720 43.935 42.059 0.260 0.000 1.175 665 L HN 0.284 nan 8.230 nan 0.000 0.431 666 V N 1.839 121.792 119.914 0.065 0.000 2.417 666 V HA 0.665 4.786 4.120 0.003 0.000 0.291 666 V C 0.512 176.434 176.094 -0.287 0.000 1.024 666 V CA -0.498 61.771 62.300 -0.051 0.000 0.861 666 V CB 1.463 33.177 31.823 -0.182 0.000 0.985 666 V HN 0.887 nan 8.190 nan 0.000 0.436 667 G N 1.856 110.356 108.800 -0.500 0.000 2.432 667 G HA2 0.500 4.462 3.960 0.003 0.000 0.331 667 G HA3 0.500 4.462 3.960 0.003 0.000 0.331 667 G C 0.647 175.304 174.900 -0.404 0.000 1.170 667 G CA 0.114 44.575 45.100 -1.066 0.000 0.943 667 G HN 0.786 nan 8.290 nan 0.000 0.483 668 S N 0.117 115.410 115.700 -0.678 0.000 2.496 668 S HA 0.353 4.825 4.470 0.003 0.000 0.224 668 S C 1.716 176.189 174.600 -0.213 0.000 0.996 668 S CA 0.708 58.428 58.200 -0.801 0.000 0.927 668 S CB -0.448 62.152 63.200 -1.001 0.000 0.774 668 S HN 2.202 nan 8.310 nan 0.000 0.524 669 G N 1.132 109.890 108.800 -0.071 0.000 2.547 669 G HA2 -0.323 3.638 3.960 0.003 0.000 0.271 669 G HA3 -0.323 3.638 3.960 0.003 0.000 0.271 669 G C 0.462 175.484 174.900 0.204 0.000 1.209 669 G CA -0.262 44.947 45.100 0.183 0.000 0.959 669 G HN 0.664 nan 8.290 nan 0.000 0.563 670 C N 0.663 120.196 119.300 0.389 0.000 2.912 670 C HA 0.353 4.814 4.460 0.003 0.000 0.285 670 C C 2.423 177.429 174.990 0.028 0.000 1.422 670 C CA 1.460 60.674 59.018 0.327 0.000 2.039 670 C CB -0.246 27.642 27.740 0.247 0.000 2.177 670 C HN 0.976 nan 8.230 nan 0.000 0.703 671 D N -0.528 119.791 120.400 -0.134 0.000 2.317 671 D HA -0.069 4.572 4.640 0.003 0.000 0.211 671 D C 1.160 177.421 176.300 -0.064 0.000 0.966 671 D CA 1.001 54.731 54.000 -0.450 0.000 0.876 671 D CB -0.232 40.315 40.800 -0.421 0.000 0.927 671 D HN 0.490 nan 8.370 nan 0.000 0.519 672 K N 0.235 120.593 120.400 -0.070 0.000 2.444 672 K HA 0.226 4.547 4.320 0.003 0.000 0.193 672 K C 1.070 177.687 176.600 0.028 0.000 1.024 672 K CA 0.003 56.218 56.287 -0.119 0.000 1.077 672 K CB 0.700 32.914 32.500 -0.475 0.000 0.833 672 K HN 0.199 nan 8.250 nan 0.000 0.517 673 G N 0.771 109.645 108.800 0.122 0.000 2.594 673 G HA2 -0.084 3.877 3.960 0.003 0.000 0.243 673 G HA3 -0.084 3.877 3.960 0.003 0.000 0.243 673 G C 0.380 175.348 174.900 0.114 0.000 1.229 673 G CA -0.371 44.843 45.100 0.191 0.000 0.843 673 G HN 0.225 nan 8.290 nan 0.000 0.578 674 E N 0.379 120.560 120.200 -0.032 0.000 2.031 674 E HA -0.179 4.172 4.350 0.003 0.000 0.193 674 E C 2.391 178.882 176.600 -0.182 0.000 0.994 674 E CA 1.350 57.520 56.400 -0.383 0.000 0.800 674 E CB -0.082 28.989 29.700 -1.049 0.000 0.752 674 E HN 0.538 nan 8.360 nan 0.000 0.447 675 L N -0.931 120.221 121.223 -0.118 0.000 2.068 675 L HA 0.008 4.350 4.340 0.003 0.000 0.204 675 L C 2.454 179.311 176.870 -0.021 0.000 1.076 675 L CA 1.101 55.897 54.840 -0.074 0.000 0.753 675 L CB -0.701 41.310 42.059 -0.080 0.000 0.910 675 L HN 0.084 nan 8.230 nan 0.000 0.439 676 F N 2.114 122.008 119.950 -0.094 0.000 2.184 676 F HA -0.293 4.235 4.527 0.003 0.000 0.301 676 F C 1.607 177.371 175.800 -0.059 0.000 1.076 676 F CA 1.990 59.950 58.000 -0.067 0.000 1.295 676 F CB -0.483 38.506 39.000 -0.019 0.000 1.026 676 F HN 0.296 nan 8.300 nan 0.000 0.494 677 D N 0.429 120.930 120.400 0.169 0.000 2.368 677 D HA -0.026 4.615 4.640 0.003 0.000 0.250 677 D C -0.340 175.940 176.300 -0.033 0.000 1.142 677 D CA 0.266 54.322 54.000 0.094 0.000 0.925 677 D CB -0.333 40.516 40.800 0.082 0.000 0.896 677 D HN 0.307 nan 8.370 nan 0.000 0.525 688 E N -0.498 119.698 120.200 -0.007 0.000 2.453 688 E HA 0.094 4.445 4.350 0.003 0.000 0.211 688 E C 1.171 177.787 176.600 0.027 0.000 0.897 688 E CA 0.561 56.966 56.400 0.009 0.000 1.063 688 E CB 0.509 30.213 29.700 0.007 0.000 1.080 688 E HN 0.601 nan 8.360 nan 0.000 0.512 689 D N 1.147 121.557 120.400 0.017 0.000 2.097 689 D HA -0.126 4.516 4.640 0.003 0.000 0.197 689 D C 1.955 178.281 176.300 0.043 0.000 0.984 689 D CA 0.847 54.861 54.000 0.025 0.000 0.826 689 D CB -0.023 40.778 40.800 0.002 0.000 0.973 689 D HN 0.180 nan 8.370 nan 0.000 0.460 690 I N 1.591 122.171 120.570 0.017 0.000 2.121 690 I HA -0.377 3.795 4.170 0.003 0.000 0.243 690 I C 2.516 178.755 176.117 0.203 0.000 1.047 690 I CA 1.607 62.928 61.300 0.034 0.000 1.308 690 I CB -0.241 37.751 38.000 -0.013 0.000 1.015 690 I HN -0.043 nan 8.210 nan 0.000 0.410 691 A N 0.154 123.083 122.820 0.181 0.000 1.898 691 A HA -0.195 4.127 4.320 0.003 0.000 0.216 691 A C 2.329 180.091 177.584 0.298 0.000 1.181 691 A CA 1.339 53.533 52.037 0.261 0.000 0.620 691 A CB -0.583 18.486 19.000 0.115 0.000 0.819 691 A HN 0.323 nan 8.150 nan 0.000 0.442 692 R N -1.844 118.760 120.500 0.173 0.000 2.341 692 R HA -0.101 4.241 4.340 0.003 0.000 0.213 692 R C 1.458 177.826 176.300 0.113 0.000 1.082 692 R CA 0.908 57.081 56.100 0.123 0.000 1.017 692 R CB -0.400 29.945 30.300 0.076 0.000 0.860 692 R HN 0.619 nan 8.270 nan 0.000 0.473 693 F N 0.022 119.934 119.950 -0.064 0.000 2.604 693 F HA -0.048 4.481 4.527 0.002 0.000 0.298 693 F C -0.257 175.279 175.800 -0.440 0.000 1.131 693 F CA 0.501 58.324 58.000 -0.295 0.000 1.457 693 F CB 0.192 38.908 39.000 -0.473 0.000 1.095 693 F HN -0.172 nan 8.300 nan 0.000 0.574 694 Y N 0.234 120.489 120.300 -0.075 0.000 2.446 694 Y HA 0.234 4.786 4.550 0.003 0.000 0.338 694 Y C 1.308 177.133 175.900 -0.125 0.000 1.055 694 Y CA -1.102 56.891 58.100 -0.178 0.000 1.101 694 Y CB 0.743 39.125 38.460 -0.129 0.000 1.221 694 Y HN -0.136 nan 8.280 nan 0.000 0.460 695 D N 1.689 122.106 120.400 0.028 0.000 2.289 695 D HA -0.015 4.626 4.640 0.003 0.000 0.207 695 D C -0.334 176.141 176.300 0.293 0.000 0.966 695 D CA 1.239 55.318 54.000 0.133 0.000 0.868 695 D CB 0.255 41.162 40.800 0.178 0.000 0.943 695 D HN 0.366 nan 8.370 nan 0.000 0.514 696 F N -0.957 119.046 119.950 0.090 0.000 2.654 696 F HA 0.542 5.070 4.527 0.002 0.000 0.308 696 F C -1.721 174.105 175.800 0.043 0.000 1.108 696 F CA -1.525 56.507 58.000 0.054 0.000 0.957 696 F CB 0.820 39.837 39.000 0.029 0.000 1.309 696 F HN -0.426 nan 8.300 nan 0.000 0.446 697 L N 2.568 123.870 121.223 0.131 0.000 2.305 697 L HA 0.443 4.785 4.340 0.003 0.000 0.284 697 L C -0.285 176.621 176.870 0.061 0.000 1.013 697 L CA -0.595 54.239 54.840 -0.010 0.000 0.819 697 L CB 1.503 43.566 42.059 0.006 0.000 1.227 697 L HN 0.687 nan 8.230 nan 0.000 0.417 698 E N 2.175 122.372 120.200 -0.005 0.000 2.283 698 E HA 0.533 4.884 4.350 0.003 0.000 0.278 698 E C -1.109 175.484 176.600 -0.011 0.000 1.027 698 E CA -0.419 56.000 56.400 0.032 0.000 0.843 698 E CB 2.326 32.042 29.700 0.027 0.000 1.062 698 E HN 0.235 nan 8.360 nan 0.000 0.401 699 V N 4.126 124.041 119.914 0.002 0.000 2.733 699 V HA 0.168 4.289 4.120 0.003 0.000 0.306 699 V C -0.963 175.246 176.094 0.192 0.000 1.084 699 V CA -0.775 61.604 62.300 0.131 0.000 0.905 699 V CB 1.819 33.780 31.823 0.230 0.000 1.010 699 V HN 0.670 nan 8.190 nan 0.000 0.424 700 H N 4.389 123.727 119.070 0.446 0.000 2.483 700 H HA 0.462 5.020 4.556 0.003 0.000 0.338 700 H C -2.466 173.077 175.328 0.359 0.000 1.152 700 H CA -2.348 53.818 56.048 0.196 0.000 1.264 700 H CB 1.566 31.090 29.762 -0.395 0.000 1.510 700 H HN 0.343 nan 8.280 nan 0.000 0.530 701 P HA -0.073 nan 4.420 nan 0.000 0.263 701 P C -1.612 175.708 177.300 0.033 0.000 1.175 701 P CA -0.699 62.371 63.100 -0.050 0.000 0.761 701 P CB 0.338 32.001 31.700 -0.061 0.000 0.794 702 P HA -0.264 nan 4.420 nan 0.000 0.216 702 P C 0.971 178.331 177.300 0.099 0.000 1.150 702 P CA 1.586 64.777 63.100 0.152 0.000 0.843 702 P CB 0.016 31.688 31.700 -0.047 0.000 0.787 703 D N -0.318 120.081 120.400 -0.002 0.000 2.149 703 D HA -0.125 4.516 4.640 0.003 0.000 0.194 703 D C 2.047 178.322 176.300 -0.042 0.000 1.001 703 D CA 0.945 54.940 54.000 -0.010 0.000 0.849 703 D CB -0.852 39.943 40.800 -0.010 0.000 0.939 703 D HN -0.014 nan 8.370 nan 0.000 0.449 704 V N 0.114 119.948 119.914 -0.134 0.000 2.469 704 V HA -0.254 3.867 4.120 0.003 0.000 0.251 704 V C 1.639 177.550 176.094 -0.306 0.000 1.064 704 V CA 1.419 63.545 62.300 -0.291 0.000 1.066 704 V CB -0.693 30.839 31.823 -0.484 0.000 0.667 704 V HN 0.310 nan 8.190 nan 0.000 0.461 705 Y N 0.338 120.621 120.300 -0.029 0.000 2.490 705 Y HA 0.122 4.674 4.550 0.003 0.000 0.281 705 Y C 2.262 178.157 175.900 -0.007 0.000 1.174 705 Y CA 0.564 58.651 58.100 -0.021 0.000 1.295 705 Y CB -0.821 37.663 38.460 0.039 0.000 1.062 705 Y HN 0.254 nan 8.280 nan 0.000 0.522 706 K N 0.741 121.198 120.400 0.095 0.000 2.189 706 K HA -0.155 4.166 4.320 0.003 0.000 0.207 706 K C -1.245 175.385 176.600 0.050 0.000 1.046 706 K CA 1.072 57.395 56.287 0.061 0.000 0.928 706 K CB -2.634 29.883 32.500 0.029 0.000 0.720 706 K HN 0.243 nan 8.250 nan 0.000 0.458 707 P HA 0.408 nan 4.420 nan 0.000 0.259 707 P C -0.313 177.020 177.300 0.055 0.000 1.211 707 P CA 0.865 63.985 63.100 0.034 0.000 0.810 707 P CB -0.239 31.470 31.700 0.015 0.000 0.815 715 K N -0.319 120.080 120.400 -0.002 0.000 2.353 715 K HA 0.639 4.960 4.320 0.003 0.000 0.206 715 K C 0.442 177.039 176.600 -0.005 0.000 1.191 715 K CA 1.889 58.172 56.287 -0.006 0.000 0.897 715 K CB 0.203 32.694 32.500 -0.015 0.000 1.283 715 K HN 1.945 nan 8.250 nan 0.000 0.477 716 D N -2.005 118.388 120.400 -0.011 0.000 2.664 716 D HA 0.104 4.745 4.640 0.003 0.000 0.292 716 D C 0.331 176.619 176.300 -0.020 0.000 1.214 716 D CA -0.162 53.830 54.000 -0.014 0.000 0.932 716 D CB 1.049 41.836 40.800 -0.021 0.000 1.420 716 D HN 0.085 nan 8.370 nan 0.000 0.471 717 E N -0.568 119.616 120.200 -0.026 0.000 2.204 717 E HA -0.213 4.139 4.350 0.003 0.000 0.194 717 E C 1.273 177.826 176.600 -0.078 0.000 0.989 717 E CA 1.093 57.468 56.400 -0.042 0.000 0.824 717 E CB 0.210 29.883 29.700 -0.044 0.000 0.756 717 E HN 0.392 nan 8.360 nan 0.000 0.477 718 E N 0.400 120.555 120.200 -0.075 0.000 2.152 718 E HA -0.145 4.207 4.350 0.003 0.000 0.192 718 E C 1.898 178.443 176.600 -0.092 0.000 0.983 718 E CA 0.902 57.246 56.400 -0.093 0.000 0.818 718 E CB -0.144 29.515 29.700 -0.068 0.000 0.758 718 E HN 0.320 nan 8.360 nan 0.000 0.467 719 M N -0.493 119.063 119.600 -0.074 0.000 2.132 719 M HA -0.106 4.375 4.480 0.003 0.000 0.263 719 M C 1.803 178.042 176.300 -0.102 0.000 1.065 719 M CA 1.383 56.635 55.300 -0.080 0.000 1.122 719 M CB -0.079 32.481 32.600 -0.066 0.000 1.365 719 M HN 0.170 nan 8.290 nan 0.000 0.411 720 I N 0.413 120.930 120.570 -0.088 0.000 2.127 720 I HA -0.365 3.806 4.170 0.003 0.000 0.241 720 I C 2.275 178.329 176.117 -0.104 0.000 1.075 720 I CA 1.649 62.890 61.300 -0.098 0.000 1.334 720 I CB -0.443 37.540 38.000 -0.029 0.000 1.040 720 I HN 0.253 nan 8.210 nan 0.000 0.405 721 K N 0.414 120.718 120.400 -0.160 0.000 2.113 721 K HA -0.195 4.126 4.320 0.003 0.000 0.208 721 K C 1.880 178.450 176.600 -0.050 0.000 1.047 721 K CA 1.511 57.642 56.287 -0.260 0.000 0.928 721 K CB -0.271 31.912 32.500 -0.529 0.000 0.716 721 K HN 0.350 nan 8.250 nan 0.000 0.446 722 N N 0.920 119.584 118.700 -0.059 0.000 2.171 722 N HA -0.076 4.665 4.740 0.003 0.000 0.184 722 N C 1.883 177.374 175.510 -0.032 0.000 1.021 722 N CA 1.006 54.043 53.050 -0.021 0.000 0.854 722 N CB -0.153 38.305 38.487 -0.049 0.000 0.994 722 N HN 0.157 nan 8.380 nan 0.000 0.426 723 I N 1.229 121.738 120.570 -0.101 0.000 2.208 723 I HA -0.230 3.942 4.170 0.003 0.000 0.245 723 I C 2.035 178.099 176.117 -0.089 0.000 1.097 723 I CA 0.910 62.097 61.300 -0.189 0.000 1.363 723 I CB -0.212 37.545 38.000 -0.405 0.000 1.051 723 I HN 0.028 nan 8.210 nan 0.000 0.413 724 I N 0.261 120.848 120.570 0.029 0.000 2.264 724 I HA -0.316 3.856 4.170 0.003 0.000 0.248 724 I C 2.715 178.926 176.117 0.157 0.000 1.111 724 I CA 1.409 62.814 61.300 0.176 0.000 1.382 724 I CB -0.376 37.850 38.000 0.375 0.000 1.060 724 I HN 0.177 nan 8.210 nan 0.000 0.418 725 R N -0.075 120.515 120.500 0.151 0.000 2.092 725 R HA -0.069 4.272 4.340 0.003 0.000 0.231 725 R C 2.365 178.692 176.300 0.045 0.000 1.119 725 R CA 1.305 57.474 56.100 0.116 0.000 0.970 725 R CB -0.345 30.032 30.300 0.129 0.000 0.864 725 R HN 0.243 nan 8.270 nan 0.000 0.440 726 S N 0.675 116.378 115.700 0.006 0.000 2.500 726 S HA -0.029 4.443 4.470 0.003 0.000 0.239 726 S C 1.734 176.321 174.600 -0.023 0.000 0.989 726 S CA 0.806 58.990 58.200 -0.027 0.000 0.951 726 S CB 0.002 63.157 63.200 -0.075 0.000 0.759 726 S HN 0.262 nan 8.310 nan 0.000 0.523 727 I N -0.226 120.343 120.570 -0.001 0.000 3.172 727 I HA -0.010 4.161 4.170 0.003 0.000 0.278 727 I C 1.808 177.936 176.117 0.019 0.000 1.174 727 I CA 0.325 61.628 61.300 0.006 0.000 1.445 727 I CB 0.069 38.086 38.000 0.029 0.000 1.175 727 I HN 0.090 nan 8.210 nan 0.000 0.447 728 V N 1.490 121.422 119.914 0.031 0.000 2.332 728 V HA -0.327 3.795 4.120 0.003 0.000 0.248 728 V C 2.729 178.829 176.094 0.009 0.000 1.055 728 V CA 2.212 64.522 62.300 0.016 0.000 1.038 728 V CB -1.158 30.677 31.823 0.021 0.000 0.651 728 V HN 0.481 nan 8.190 nan 0.000 0.450 729 A N -0.336 122.490 122.820 0.010 0.000 1.873 729 A HA -0.152 4.170 4.320 0.003 0.000 0.215 729 A C 2.155 179.741 177.584 0.003 0.000 1.186 729 A CA 1.719 53.759 52.037 0.004 0.000 0.616 729 A CB -0.616 18.385 19.000 0.002 0.000 0.823 729 A HN 0.386 nan 8.150 nan 0.000 0.442 730 L N 0.051 121.276 121.223 0.002 0.000 2.013 730 L HA -0.136 4.205 4.340 0.003 0.000 0.212 730 L C 2.607 179.485 176.870 0.014 0.000 1.073 730 L CA 2.137 56.980 54.840 0.005 0.000 0.753 730 L CB -1.448 40.611 42.059 0.001 0.000 0.890 730 L HN 0.401 nan 8.230 nan 0.000 0.432 731 G N -1.845 106.964 108.800 0.015 0.000 2.408 731 G HA2 -0.256 3.705 3.960 0.003 0.000 0.217 731 G HA3 -0.256 3.705 3.960 0.003 0.000 0.217 731 G C 1.552 176.462 174.900 0.017 0.000 1.150 731 G CA 0.664 45.777 45.100 0.022 0.000 0.776 731 G HN 0.478 nan 8.290 nan 0.000 0.542 732 E N 0.108 120.313 120.200 0.008 0.000 2.047 732 E HA -0.125 4.227 4.350 0.003 0.000 0.191 732 E C 2.391 178.995 176.600 0.006 0.000 0.987 732 E CA 0.798 57.200 56.400 0.004 0.000 0.799 732 E CB -0.097 29.602 29.700 -0.001 0.000 0.752 732 E HN 0.162 nan 8.360 nan 0.000 0.449 733 K N 0.543 120.947 120.400 0.007 0.000 2.113 733 K HA -0.142 4.180 4.320 0.003 0.000 0.208 733 K C 1.766 178.372 176.600 0.011 0.000 1.047 733 K CA 1.105 57.396 56.287 0.007 0.000 0.928 733 K CB -0.105 32.398 32.500 0.005 0.000 0.716 733 K HN 0.271 nan 8.250 nan 0.000 0.446 734 L N 0.379 121.612 121.223 0.016 0.000 2.653 734 L HA 0.056 4.397 4.340 0.003 0.000 0.231 734 L C -0.016 176.868 176.870 0.023 0.000 1.153 734 L CA -0.126 54.727 54.840 0.022 0.000 0.933 734 L CB -0.131 41.947 42.059 0.032 0.000 1.175 734 L HN 0.146 nan 8.230 nan 0.000 0.473 735 D N 1.513 121.924 120.400 0.018 0.000 2.737 735 D HA -0.225 4.416 4.640 0.003 0.000 0.233 735 D C -0.236 176.081 176.300 0.027 0.000 1.155 735 D CA 0.740 54.750 54.000 0.017 0.000 0.667 735 D CB -0.787 40.021 40.800 0.013 0.000 1.060 735 D HN 0.316 nan 8.370 nan 0.000 0.427 736 I N 0.025 120.617 120.570 0.036 0.000 2.354 736 I HA 0.368 4.540 4.170 0.003 0.000 0.292 736 I C -1.901 174.250 176.117 0.057 0.000 0.989 736 I CA -2.250 59.084 61.300 0.056 0.000 1.188 736 I CB 1.676 39.719 38.000 0.072 0.000 1.342 736 I HN -0.149 nan 8.210 nan 0.000 0.457 737 P HA 0.057 nan 4.420 nan 0.000 0.264 737 P C -0.618 176.733 177.300 0.086 0.000 1.193 737 P CA -0.039 63.096 63.100 0.058 0.000 0.763 737 P CB 0.582 32.317 31.700 0.058 0.000 0.810 738 V N 4.877 124.815 119.914 0.041 0.000 2.427 738 V HA 0.365 4.487 4.120 0.003 0.000 0.286 738 V C 0.310 176.407 176.094 0.005 0.000 1.034 738 V CA -0.499 61.823 62.300 0.037 0.000 0.893 738 V CB 1.741 33.565 31.823 0.001 0.000 0.982 738 V HN 0.384 nan 8.190 nan 0.000 0.452 739 V N 2.417 122.358 119.914 0.045 0.000 2.604 739 V HA 0.914 5.036 4.120 0.003 0.000 0.305 739 V C 0.144 176.217 176.094 -0.035 0.000 1.043 739 V CA -1.024 61.274 62.300 -0.004 0.000 0.888 739 V CB 1.622 33.466 31.823 0.034 0.000 0.995 739 V HN 0.946 nan 8.190 nan 0.000 0.429 740 A N 3.654 126.384 122.820 -0.151 0.000 2.415 740 A HA 0.670 4.992 4.320 0.003 0.000 0.309 740 A C 0.656 178.256 177.584 0.027 0.000 1.356 740 A CA 0.287 52.216 52.037 -0.181 0.000 0.998 740 A CB -0.537 18.128 19.000 -0.557 0.000 1.145 740 A HN 1.452 nan 8.150 nan 0.000 0.545 741 T N -0.452 114.195 114.554 0.154 0.000 2.925 741 T HA 0.589 4.941 4.350 0.003 0.000 0.285 741 T C 0.970 175.839 174.700 0.281 0.000 1.021 741 T CA 0.029 62.266 62.100 0.228 0.000 1.042 741 T CB 1.798 70.861 68.868 0.324 0.000 1.037 741 T HN 0.575 nan 8.240 nan 0.000 0.481 742 G N 0.772 109.661 108.800 0.148 0.000 2.796 742 G HA2 0.085 4.047 3.960 0.003 0.000 0.210 742 G HA3 0.085 4.047 3.960 0.003 0.000 0.210 742 G C 0.703 175.469 174.900 -0.224 0.000 1.146 742 G CA -0.112 44.995 45.100 0.011 0.000 0.779 742 G HN 0.962 nan 8.290 nan 0.000 0.535 743 N N -0.145 118.362 118.700 -0.322 0.000 2.725 743 N HA -0.170 4.572 4.740 0.003 0.000 0.251 743 N C 0.186 175.578 175.510 -0.196 0.000 1.031 743 N CA 0.425 53.170 53.050 -0.508 0.000 0.720 743 N CB -1.535 36.424 38.487 -0.881 0.000 0.930 743 N HN 0.099 nan 8.380 nan 0.000 0.543 744 V N 1.190 121.008 119.914 -0.161 0.000 2.557 744 V HA -0.090 4.031 4.120 0.003 0.000 0.301 744 V C 1.367 177.329 176.094 -0.221 0.000 1.026 744 V CA 0.684 62.869 62.300 -0.192 0.000 1.137 744 V CB 0.651 32.326 31.823 -0.247 0.000 0.917 744 V HN 0.450 nan 8.190 nan 0.000 0.484 745 H N 3.206 122.077 119.070 -0.331 0.000 3.058 745 H HA 0.401 4.959 4.556 0.003 0.000 0.266 745 H C -0.552 174.778 175.328 0.002 0.000 1.135 745 H CA -0.075 55.880 56.048 -0.154 0.000 1.174 745 H CB 0.449 30.136 29.762 -0.124 0.000 1.581 745 H HN 0.778 nan 8.280 nan 0.000 0.553 746 Y N -4.229 116.168 120.300 0.161 0.000 2.732 746 Y HA 0.135 4.686 4.550 0.003 0.000 0.342 746 Y C -0.124 175.883 175.900 0.178 0.000 1.203 746 Y CA -1.109 57.077 58.100 0.143 0.000 1.092 746 Y CB 0.377 38.931 38.460 0.156 0.000 1.345 746 Y HN -0.139 nan 8.280 nan 0.000 0.458 747 L N 0.916 122.339 121.223 0.335 0.000 1.948 747 L HA 0.001 4.342 4.340 0.003 0.000 0.212 747 L C 0.056 177.169 176.870 0.404 0.000 1.074 747 L CA 1.653 56.671 54.840 0.297 0.000 0.753 747 L CB -0.274 41.869 42.059 0.141 0.000 0.888 747 L HN 0.797 nan 8.230 nan 0.000 0.432 748 N N -1.116 117.772 118.700 0.313 0.000 2.443 748 N HA 0.224 4.966 4.740 0.003 0.000 0.293 748 N C -1.949 173.644 175.510 0.138 0.000 1.159 748 N CA -1.524 51.631 53.050 0.175 0.000 0.904 748 N CB 1.236 39.717 38.487 -0.010 0.000 1.214 748 N HN -0.105 nan 8.380 nan 0.000 0.513 749 P HA -0.162 nan 4.420 nan 0.000 0.216 749 P C 0.381 177.618 177.300 -0.105 0.000 1.154 749 P CA 1.736 64.626 63.100 -0.350 0.000 0.865 749 P CB 0.351 31.667 31.700 -0.640 0.000 0.789 750 E N -1.077 119.033 120.200 -0.150 0.000 2.358 750 E HA -0.094 4.258 4.350 0.003 0.000 0.195 750 E C 1.325 177.761 176.600 -0.273 0.000 1.010 750 E CA 0.605 56.900 56.400 -0.175 0.000 0.856 750 E CB -1.040 28.587 29.700 -0.121 0.000 0.795 750 E HN 0.285 nan 8.360 nan 0.000 0.504 751 D N 1.102 121.369 120.400 -0.221 0.000 2.384 751 D HA -0.147 4.495 4.640 0.003 0.000 0.222 751 D C 1.475 177.416 176.300 -0.598 0.000 0.976 751 D CA 0.599 54.482 54.000 -0.195 0.000 0.915 751 D CB -0.019 40.818 40.800 0.061 0.000 0.896 751 D HN 0.235 nan 8.370 nan 0.000 0.523 752 K N 0.647 120.567 120.400 -0.800 0.000 2.103 752 K HA -0.188 4.133 4.320 0.003 0.000 0.207 752 K C 2.040 178.325 176.600 -0.526 0.000 1.048 752 K CA 0.702 56.464 56.287 -0.876 0.000 0.930 752 K CB -0.148 32.113 32.500 -0.399 0.000 0.716 752 K HN 0.048 nan 8.250 nan 0.000 0.444 753 I N 0.713 120.974 120.570 -0.515 0.000 2.361 753 I HA -0.266 3.905 4.170 0.003 0.000 0.251 753 I C 1.274 177.101 176.117 -0.483 0.000 1.133 753 I CA 1.451 62.455 61.300 -0.494 0.000 1.413 753 I CB -0.154 37.523 38.000 -0.538 0.000 1.073 753 I HN 0.193 nan 8.210 nan 0.000 0.424 754 Y N 0.378 120.509 120.300 -0.282 0.000 2.200 754 Y HA -0.157 4.394 4.550 0.002 0.000 0.290 754 Y C 2.764 178.545 175.900 -0.199 0.000 1.137 754 Y CA 1.746 59.709 58.100 -0.228 0.000 1.163 754 Y CB -0.960 37.399 38.460 -0.168 0.000 0.988 754 Y HN 0.156 nan 8.280 nan 0.000 0.518 755 R N 1.090 121.552 120.500 -0.064 0.000 2.075 755 R HA -0.156 4.186 4.340 0.003 0.000 0.232 755 R C 2.311 178.561 176.300 -0.083 0.000 1.126 755 R CA 1.621 57.702 56.100 -0.032 0.000 0.963 755 R CB -0.225 30.085 30.300 0.018 0.000 0.858 755 R HN 0.214 nan 8.270 nan 0.000 0.435 756 K N 0.378 120.686 120.400 -0.154 0.000 2.113 756 K HA -0.165 4.157 4.320 0.003 0.000 0.208 756 K C 1.933 178.411 176.600 -0.204 0.000 1.047 756 K CA 1.863 58.064 56.287 -0.143 0.000 0.928 756 K CB -0.109 32.288 32.500 -0.172 0.000 0.716 756 K HN 0.274 nan 8.250 nan 0.000 0.446 757 I N 0.804 121.149 120.570 -0.375 0.000 2.233 757 I HA -0.284 3.888 4.170 0.003 0.000 0.243 757 I C 2.210 178.228 176.117 -0.166 0.000 1.093 757 I CA 0.860 61.890 61.300 -0.450 0.000 1.380 757 I CB -0.177 37.538 38.000 -0.476 0.000 1.067 757 I HN 0.164 nan 8.210 nan 0.000 0.413 758 L N 0.490 121.645 121.223 -0.114 0.000 1.970 758 L HA -0.255 4.087 4.340 0.003 0.000 0.212 758 L C 2.571 179.340 176.870 -0.168 0.000 1.071 758 L CA 1.713 56.467 54.840 -0.144 0.000 0.751 758 L CB -0.523 41.524 42.059 -0.020 0.000 0.889 758 L HN 0.174 nan 8.230 nan 0.000 0.432 759 I N -0.788 119.739 120.570 -0.072 0.000 2.194 759 I HA -0.391 3.781 4.170 0.003 0.000 0.246 759 I C 2.572 178.671 176.117 -0.030 0.000 1.093 759 I CA 1.694 62.966 61.300 -0.047 0.000 1.355 759 I CB -0.408 37.581 38.000 -0.018 0.000 1.046 759 I HN 0.357 nan 8.210 nan 0.000 0.413 760 H N 0.487 119.521 119.070 -0.059 0.000 2.456 760 H HA -0.161 4.396 4.556 0.002 0.000 0.296 760 H C 2.353 177.655 175.328 -0.042 0.000 1.079 760 H CA 1.532 57.593 56.048 0.022 0.000 1.322 760 H CB 0.052 29.936 29.762 0.202 0.000 1.388 760 H HN 0.371 nan 8.280 nan 0.000 0.538 761 S N -0.419 115.213 115.700 -0.113 0.000 2.469 761 S HA -0.180 4.291 4.470 0.003 0.000 0.238 761 S C 1.691 176.149 174.600 -0.238 0.000 0.998 761 S CA 1.242 59.272 58.200 -0.282 0.000 0.957 761 S CB -0.111 62.526 63.200 -0.939 0.000 0.764 761 S HN 0.668 nan 8.310 nan 0.000 0.514 762 Q N 0.943 120.623 119.800 -0.199 0.000 2.320 762 Q HA 0.387 4.728 4.340 0.003 0.000 0.201 762 Q C 1.164 177.098 176.000 -0.110 0.000 0.910 762 Q CA 0.111 55.839 55.803 -0.125 0.000 0.946 762 Q CB 0.253 28.939 28.738 -0.085 0.000 1.062 762 Q HN 0.730 nan 8.270 nan 0.000 0.503 763 G N 0.177 108.873 108.800 -0.174 0.000 2.697 763 G HA2 -0.322 3.640 3.960 0.003 0.000 0.240 763 G HA3 -0.322 3.640 3.960 0.003 0.000 0.240 763 G C 0.556 175.392 174.900 -0.107 0.000 1.346 763 G CA -0.522 44.485 45.100 -0.154 0.000 0.887 763 G HN 0.399 nan 8.290 nan 0.000 0.569 764 G N -0.355 108.400 108.800 -0.075 0.000 2.708 764 G HA2 0.410 4.372 3.960 0.003 0.000 0.210 764 G HA3 0.410 4.372 3.960 0.003 0.000 0.210 764 G C 1.500 176.381 174.900 -0.031 0.000 1.141 764 G CA 1.720 46.793 45.100 -0.046 0.000 0.788 764 G HN 1.885 nan 8.290 nan 0.000 0.531 765 A N -0.093 122.708 122.820 -0.032 0.000 2.276 765 A HA 0.232 4.553 4.320 0.003 0.000 0.212 765 A C 1.617 179.193 177.584 -0.013 0.000 1.230 765 A CA 0.808 52.836 52.037 -0.015 0.000 0.844 765 A CB -0.312 18.683 19.000 -0.009 0.000 0.860 765 A HN 0.436 nan 8.150 nan 0.000 0.486 766 N N -0.540 118.146 118.700 -0.024 0.000 2.397 766 N HA 0.105 4.847 4.740 0.003 0.000 0.190 766 N C -1.849 173.652 175.510 -0.015 0.000 1.099 766 N CA -0.424 52.614 53.050 -0.019 0.000 0.876 766 N CB 0.107 38.574 38.487 -0.033 0.000 1.143 766 N HN -0.014 nan 8.380 nan 0.000 0.468 767 P HA -0.186 nan 4.420 nan 0.000 0.015 767 P C -0.650 176.641 177.300 -0.015 0.000 0.566 767 P CA 0.634 63.726 63.100 -0.013 0.000 1.034 767 P CB -0.420 31.276 31.700 -0.008 0.000 1.905 768 L N -0.584 120.628 121.223 -0.019 0.000 3.086 768 L HA 0.203 4.545 4.340 0.003 0.000 0.274 768 L C 1.600 178.465 176.870 -0.009 0.000 1.184 768 L CA 0.525 55.351 54.840 -0.022 0.000 1.002 768 L CB 0.050 42.086 42.059 -0.038 0.000 1.383 768 L HN -0.043 nan 8.230 nan 0.000 0.582 769 N N 0.167 118.866 118.700 -0.003 0.000 2.494 769 N HA -0.073 4.668 4.740 0.003 0.000 0.182 769 N C 2.064 177.584 175.510 0.016 0.000 1.076 769 N CA 0.797 53.858 53.050 0.019 0.000 0.908 769 N CB 0.019 38.512 38.487 0.010 0.000 0.967 769 N HN 0.366 nan 8.380 nan 0.000 0.449 770 R N 0.896 121.398 120.500 0.004 0.000 2.122 770 R HA -0.143 4.199 4.340 0.003 0.000 0.236 770 R C 1.603 177.908 176.300 0.009 0.000 1.129 770 R CA 2.309 58.411 56.100 0.004 0.000 0.925 770 R CB -2.021 28.278 30.300 -0.000 0.000 0.850 770 R HN 0.640 nan 8.270 nan 0.000 0.431 771 H N -0.534 118.541 119.070 0.008 0.000 2.713 771 H HA 0.699 5.256 4.556 0.003 0.000 0.340 771 H C -0.281 175.056 175.328 0.015 0.000 1.271 771 H CA -0.373 55.682 56.048 0.011 0.000 1.306 771 H CB 0.621 30.387 29.762 0.007 0.000 1.839 771 H HN 0.554 nan 8.280 nan 0.000 0.627 772 E N 0.128 120.338 120.200 0.017 0.000 2.392 772 E HA 0.208 4.559 4.350 0.003 0.000 0.256 772 E C -0.289 176.314 176.600 0.005 0.000 1.145 772 E CA -0.220 56.192 56.400 0.020 0.000 0.929 772 E CB 0.912 30.625 29.700 0.022 0.000 0.998 772 E HN 0.483 nan 8.360 nan 0.000 0.442 773 L N 3.396 124.622 121.223 0.006 0.000 2.312 773 L HA 0.294 4.635 4.340 0.003 0.000 0.281 773 L C -1.857 175.014 176.870 0.001 0.000 1.070 773 L CA -1.936 52.898 54.840 -0.011 0.000 0.805 773 L CB 0.684 42.740 42.059 -0.005 0.000 1.174 773 L HN 0.215 nan 8.230 nan 0.000 0.434 774 P HA 0.039 nan 4.420 nan 0.000 0.272 774 P C -1.159 176.167 177.300 0.044 0.000 1.223 774 P CA -0.427 62.656 63.100 -0.029 0.000 0.784 774 P CB 0.604 32.232 31.700 -0.119 0.000 0.923 775 D N 1.237 121.685 120.400 0.079 0.000 2.344 775 D HA 0.140 4.781 4.640 0.003 0.000 0.253 775 D C 0.378 176.685 176.300 0.011 0.000 1.255 775 D CA 0.177 54.303 54.000 0.211 0.000 0.894 775 D CB 0.454 41.442 40.800 0.313 0.000 1.067 775 D HN 0.114 nan 8.370 nan 0.000 0.492 776 V N 0.996 120.862 119.914 -0.080 0.000 2.562 776 V HA 0.259 4.380 4.120 0.003 0.000 0.274 776 V C -0.371 175.330 176.094 -0.654 0.000 1.075 776 V CA -0.965 61.106 62.300 -0.382 0.000 1.204 776 V CB -1.307 30.334 31.823 -0.304 0.000 1.478 776 V HN 0.265 nan 8.190 nan 0.000 0.622 777 Y N -0.905 119.212 120.300 -0.305 0.000 2.344 777 Y HA 0.666 5.218 4.550 0.003 0.000 0.330 777 Y C 0.095 176.066 175.900 0.117 0.000 1.330 777 Y CA -2.551 55.473 58.100 -0.126 0.000 1.479 777 Y CB 0.583 39.172 38.460 0.216 0.000 1.428 777 Y HN 0.228 nan 8.280 nan 0.000 0.544 778 F N 3.163 123.247 119.950 0.223 0.000 2.462 778 F HA 0.332 4.861 4.527 0.002 0.000 0.360 778 F C 0.160 176.160 175.800 0.334 0.000 1.134 778 F CA -0.595 57.546 58.000 0.236 0.000 1.148 778 F CB 0.198 39.375 39.000 0.295 0.000 1.147 778 F HN 0.492 nan 8.300 nan 0.000 0.550 779 R N 3.986 124.703 120.500 0.363 0.000 2.390 779 R HA 0.157 4.499 4.340 0.003 0.000 0.291 779 R C 0.365 176.568 176.300 -0.161 0.000 1.070 779 R CA -0.358 55.776 56.100 0.056 0.000 1.014 779 R CB 1.524 31.797 30.300 -0.044 0.000 1.007 779 R HN 0.560 nan 8.270 nan 0.000 0.466 780 T N 0.290 114.588 114.554 -0.426 0.000 2.802 780 T HA -0.063 4.288 4.350 0.003 0.000 0.305 780 T C 1.728 176.226 174.700 -0.337 0.000 1.053 780 T CA 0.241 61.895 62.100 -0.744 0.000 1.058 780 T CB 1.156 69.531 68.868 -0.822 0.000 0.988 780 T HN 0.729 nan 8.240 nan 0.000 0.539 781 T N 1.671 116.034 114.554 -0.318 0.000 2.737 781 T HA -0.142 4.209 4.350 0.003 0.000 0.265 781 T C 1.767 176.380 174.700 -0.146 0.000 1.038 781 T CA 2.155 64.128 62.100 -0.213 0.000 1.144 781 T CB -0.634 68.085 68.868 -0.248 0.000 0.866 781 T HN 0.797 nan 8.240 nan 0.000 0.434 782 N N 1.675 120.278 118.700 -0.161 0.000 2.149 782 N HA -0.166 4.575 4.740 0.003 0.000 0.188 782 N C 1.846 177.316 175.510 -0.067 0.000 1.019 782 N CA 1.670 54.658 53.050 -0.103 0.000 0.857 782 N CB -0.495 37.932 38.487 -0.102 0.000 0.997 782 N HN 0.779 nan 8.380 nan 0.000 0.426 783 E N -0.689 119.459 120.200 -0.086 0.000 2.285 783 E HA -0.107 4.244 4.350 0.003 0.000 0.194 783 E C 1.742 178.357 176.600 0.024 0.000 0.997 783 E CA 0.526 56.912 56.400 -0.023 0.000 0.845 783 E CB -0.153 29.542 29.700 -0.009 0.000 0.782 783 E HN 0.290 nan 8.360 nan 0.000 0.491 784 M N 1.398 121.012 119.600 0.023 0.000 2.156 784 M HA 0.039 4.521 4.480 0.003 0.000 0.264 784 M C 1.988 178.412 176.300 0.206 0.000 1.067 784 M CA 1.306 56.680 55.300 0.124 0.000 1.131 784 M CB -0.200 32.446 32.600 0.077 0.000 1.368 784 M HN 0.135 nan 8.290 nan 0.000 0.416 785 L N -0.320 120.957 121.223 0.090 0.000 2.042 785 L HA -0.274 4.068 4.340 0.003 0.000 0.210 785 L C 1.967 178.905 176.870 0.114 0.000 1.076 785 L CA 1.296 56.188 54.840 0.086 0.000 0.749 785 L CB -1.126 40.940 42.059 0.011 0.000 0.893 785 L HN 0.248 nan 8.230 nan 0.000 0.432 786 D N -0.277 120.168 120.400 0.076 0.000 2.104 786 D HA -0.182 4.459 4.640 0.003 0.000 0.194 786 D C 2.247 178.595 176.300 0.081 0.000 0.994 786 D CA 1.557 55.595 54.000 0.065 0.000 0.830 786 D CB -0.514 40.310 40.800 0.040 0.000 0.959 786 D HN 0.403 nan 8.370 nan 0.000 0.452 787 C N -0.255 119.084 119.300 0.067 0.000 2.410 787 C HA -0.118 4.344 4.460 0.003 0.000 0.281 787 C C 1.978 176.902 174.990 -0.110 0.000 1.318 787 C CA 0.237 59.222 59.018 -0.055 0.000 1.776 787 C CB -1.368 26.267 27.740 -0.176 0.000 1.942 787 C HN 0.184 nan 8.230 nan 0.000 0.508 788 F N 1.214 121.211 119.950 0.079 0.000 2.654 788 F HA 0.095 4.624 4.527 0.003 0.000 0.303 788 F C 2.200 177.831 175.800 -0.282 0.000 1.099 788 F CA 0.416 58.322 58.000 -0.157 0.000 1.270 788 F CB -0.371 38.522 39.000 -0.179 0.000 1.024 788 F HN 0.163 nan 8.300 nan 0.000 0.548 789 S N 0.688 116.428 115.700 0.068 0.000 2.402 789 S HA -0.321 4.151 4.470 0.003 0.000 0.233 789 S C 1.938 176.549 174.600 0.018 0.000 1.030 789 S CA 1.607 59.832 58.200 0.042 0.000 1.003 789 S CB -1.410 61.839 63.200 0.081 0.000 0.813 789 S HN 0.556 nan 8.310 nan 0.000 0.477 790 F N 1.089 121.075 119.950 0.060 0.000 2.546 790 F HA 0.341 4.869 4.527 0.003 0.000 0.298 790 F C 1.411 177.249 175.800 0.063 0.000 1.120 790 F CA 0.165 58.192 58.000 0.045 0.000 1.456 790 F CB -0.530 38.484 39.000 0.022 0.000 1.088 790 F HN 0.122 nan 8.300 nan 0.000 0.572 791 L N 0.841 121.743 121.223 -0.536 0.000 2.592 791 L HA 0.448 4.790 4.340 0.003 0.000 0.227 791 L C 1.033 177.830 176.870 -0.123 0.000 1.127 791 L CA 0.250 54.905 54.840 -0.307 0.000 0.884 791 L CB -0.691 41.141 42.059 -0.378 0.000 1.065 791 L HN 0.464 nan 8.230 nan 0.000 0.457 792 G N 0.332 109.082 108.800 -0.083 0.000 2.699 792 G HA2 -0.157 3.805 3.960 0.003 0.000 0.686 792 G HA3 -0.157 3.805 3.960 0.003 0.000 0.686 792 G C -2.412 172.460 174.900 -0.047 0.000 1.301 792 G CA -0.621 44.456 45.100 -0.038 0.000 0.816 792 G HN -0.037 nan 8.290 nan 0.000 0.595 793 P HA 0.059 nan 4.420 nan 0.000 0.221 793 P C 1.407 178.683 177.300 -0.040 0.000 1.150 793 P CA 1.518 64.600 63.100 -0.029 0.000 0.800 793 P CB 0.206 31.895 31.700 -0.019 0.000 0.787 794 E N -0.462 119.715 120.200 -0.040 0.000 2.076 794 E HA -0.079 4.272 4.350 0.003 0.000 0.190 794 E C 2.045 178.610 176.600 -0.058 0.000 0.979 794 E CA 0.870 57.244 56.400 -0.043 0.000 0.807 794 E CB -0.394 29.286 29.700 -0.033 0.000 0.761 794 E HN -0.015 nan 8.360 nan 0.000 0.454 795 K N 0.475 120.835 120.400 -0.068 0.000 2.057 795 K HA -0.023 4.299 4.320 0.003 0.000 0.206 795 K C 2.046 178.572 176.600 -0.123 0.000 1.050 795 K CA 1.061 57.293 56.287 -0.091 0.000 0.935 795 K CB -0.451 31.992 32.500 -0.095 0.000 0.715 795 K HN 0.132 nan 8.250 nan 0.000 0.439 796 A N 1.897 124.648 122.820 -0.115 0.000 1.859 796 A HA -0.270 4.051 4.320 0.003 0.000 0.218 796 A C 2.196 179.708 177.584 -0.119 0.000 1.209 796 A CA 2.440 54.409 52.037 -0.114 0.000 0.639 796 A CB -0.659 18.309 19.000 -0.052 0.000 0.835 796 A HN 0.380 nan 8.150 nan 0.000 0.450 797 K N -0.357 119.991 120.400 -0.085 0.000 2.152 797 K HA -0.218 4.104 4.320 0.003 0.000 0.206 797 K C 2.078 178.623 176.600 -0.091 0.000 1.048 797 K CA 1.743 57.981 56.287 -0.081 0.000 0.933 797 K CB -0.170 32.293 32.500 -0.060 0.000 0.721 797 K HN 0.685 nan 8.250 nan 0.000 0.447 798 E N 0.823 120.968 120.200 -0.092 0.000 2.031 798 E HA -0.188 4.163 4.350 0.003 0.000 0.193 798 E C 2.039 178.572 176.600 -0.111 0.000 0.994 798 E CA 1.680 58.027 56.400 -0.088 0.000 0.800 798 E CB -0.167 29.488 29.700 -0.076 0.000 0.752 798 E HN 0.581 nan 8.360 nan 0.000 0.447 799 I N -2.233 118.244 120.570 -0.156 0.000 3.226 799 I HA 0.001 4.173 4.170 0.003 0.000 0.277 799 I C 1.698 177.681 176.117 -0.225 0.000 1.243 799 I CA 0.202 61.386 61.300 -0.193 0.000 1.459 799 I CB 0.412 38.255 38.000 -0.263 0.000 1.093 799 I HN -0.094 nan 8.210 nan 0.000 0.453 800 V N 0.590 120.375 119.914 -0.215 0.000 2.599 800 V HA -0.041 4.081 4.120 0.003 0.000 0.245 800 V C 2.192 178.206 176.094 -0.133 0.000 1.046 800 V CA 1.385 63.577 62.300 -0.180 0.000 1.065 800 V CB 0.628 32.362 31.823 -0.147 0.000 0.703 800 V HN 0.540 nan 8.190 nan 0.000 0.464 801 V N -1.329 118.513 119.914 -0.120 0.000 3.029 801 V HA 0.070 4.191 4.120 0.003 0.000 0.230 801 V C 1.847 177.886 176.094 -0.090 0.000 1.254 801 V CA 1.020 63.255 62.300 -0.107 0.000 1.276 801 V CB 0.221 31.981 31.823 -0.104 0.000 1.080 801 V HN 0.385 nan 8.190 nan 0.000 0.495 802 D N 1.244 121.596 120.400 -0.081 0.000 2.104 802 D HA -0.182 4.459 4.640 0.003 0.000 0.194 802 D C 1.924 178.183 176.300 -0.069 0.000 0.994 802 D CA 2.330 56.291 54.000 -0.067 0.000 0.830 802 D CB -0.520 40.246 40.800 -0.057 0.000 0.959 802 D HN 0.698 nan 8.370 nan 0.000 0.452 803 N N -0.217 118.437 118.700 -0.076 0.000 2.216 803 N HA -0.093 4.649 4.740 0.003 0.000 0.183 803 N C 1.816 177.267 175.510 -0.099 0.000 1.017 803 N CA 0.935 53.940 53.050 -0.075 0.000 0.861 803 N CB -0.010 38.437 38.487 -0.066 0.000 0.986 803 N HN 0.011 nan 8.380 nan 0.000 0.428 804 T N 1.102 115.593 114.554 -0.106 0.000 2.684 804 T HA -0.171 4.181 4.350 0.003 0.000 0.267 804 T C 1.850 176.485 174.700 -0.109 0.000 1.036 804 T CA 1.357 63.386 62.100 -0.117 0.000 1.148 804 T CB -0.117 68.691 68.868 -0.101 0.000 0.863 804 T HN 0.247 nan 8.240 nan 0.000 0.436 805 Q N 0.021 119.768 119.800 -0.088 0.000 2.124 805 Q HA -0.130 4.211 4.340 0.003 0.000 0.202 805 Q C 2.345 178.304 176.000 -0.069 0.000 0.977 805 Q CA 1.450 57.211 55.803 -0.070 0.000 0.850 805 Q CB -0.125 28.578 28.738 -0.059 0.000 0.901 805 Q HN 0.261 nan 8.270 nan 0.000 0.429 806 K N 0.939 121.296 120.400 -0.072 0.000 2.057 806 K HA -0.141 4.181 4.320 0.003 0.000 0.207 806 K C 1.732 178.283 176.600 -0.080 0.000 1.049 806 K CA 1.203 57.452 56.287 -0.063 0.000 0.931 806 K CB -0.183 32.285 32.500 -0.053 0.000 0.714 806 K HN 0.082 nan 8.250 nan 0.000 0.440 807 I N 1.067 121.562 120.570 -0.125 0.000 2.252 807 I HA -0.138 4.033 4.170 0.003 0.000 0.245 807 I C 2.258 178.289 176.117 -0.142 0.000 1.102 807 I CA 1.460 62.654 61.300 -0.177 0.000 1.385 807 I CB -1.485 36.298 38.000 -0.361 0.000 1.064 807 I HN 0.286 nan 8.210 nan 0.000 0.414 808 A N -0.224 122.524 122.820 -0.121 0.000 1.972 808 A HA -0.156 4.165 4.320 0.003 0.000 0.219 808 A C 2.517 180.068 177.584 -0.056 0.000 1.169 808 A CA 1.835 53.821 52.037 -0.084 0.000 0.635 808 A CB -0.601 18.361 19.000 -0.063 0.000 0.810 808 A HN 0.380 nan 8.150 nan 0.000 0.446 809 S N -0.704 114.966 115.700 -0.051 0.000 2.489 809 S HA 0.137 4.608 4.470 0.003 0.000 0.228 809 S C 1.380 175.963 174.600 -0.029 0.000 0.995 809 S CA 0.360 58.540 58.200 -0.034 0.000 0.934 809 S CB -0.268 62.914 63.200 -0.030 0.000 0.771 809 S HN 0.532 nan 8.310 nan 0.000 0.522 810 L N 1.103 122.303 121.223 -0.037 0.000 2.599 810 L HA 0.184 4.525 4.340 0.003 0.000 0.230 810 L C -0.253 176.604 176.870 -0.021 0.000 1.141 810 L CA 0.223 55.047 54.840 -0.026 0.000 0.877 810 L CB -0.034 42.010 42.059 -0.025 0.000 1.009 810 L HN 0.210 nan 8.230 nan 0.000 0.447 811 I N 0.198 120.752 120.570 -0.026 0.000 2.336 811 I HA 0.292 4.464 4.170 0.003 0.000 0.292 811 I C 0.966 177.077 176.117 -0.009 0.000 0.991 811 I CA -0.031 61.259 61.300 -0.018 0.000 1.227 811 I CB 0.957 38.941 38.000 -0.028 0.000 1.366 811 I HN -0.094 nan 8.210 nan 0.000 0.466 812 G N 4.312 113.111 108.800 -0.002 0.000 2.509 812 G HA2 0.141 4.103 3.960 0.003 0.000 0.269 812 G HA3 0.141 4.103 3.960 0.003 0.000 0.269 812 G C -0.666 174.243 174.900 0.016 0.000 1.416 812 G CA -0.159 44.943 45.100 0.003 0.000 1.052 812 G HN 0.603 nan 8.290 nan 0.000 0.542 813 D N -0.605 119.807 120.400 0.020 0.000 2.467 813 D HA 0.315 4.956 4.640 0.003 0.000 0.220 813 D C -0.022 176.294 176.300 0.026 0.000 1.103 813 D CA -0.494 53.531 54.000 0.041 0.000 0.886 813 D CB 0.838 41.666 40.800 0.045 0.000 1.025 813 D HN 0.282 nan 8.370 nan 0.000 0.514 814 V N 2.500 122.434 119.914 0.035 0.000 2.472 814 V HA 0.533 4.654 4.120 0.003 0.000 0.290 814 V C -0.614 175.350 176.094 -0.216 0.000 1.037 814 V CA -0.614 61.639 62.300 -0.077 0.000 0.908 814 V CB 1.212 32.969 31.823 -0.110 0.000 0.985 814 V HN 0.357 nan 8.190 nan 0.000 0.454 815 K N 7.740 127.954 120.400 -0.310 0.000 2.354 815 K HA 0.442 4.764 4.320 0.003 0.000 0.257 815 K C -1.910 174.304 176.600 -0.643 0.000 1.062 815 K CA -1.595 54.353 56.287 -0.565 0.000 0.971 815 K CB 1.523 33.872 32.500 -0.252 0.000 1.305 815 K HN 0.628 nan 8.250 nan 0.000 0.449 816 P HA -0.055 nan 4.420 nan 0.000 0.230 816 P C -0.066 177.148 177.300 -0.144 0.000 1.158 816 P CA 0.814 63.613 63.100 -0.502 0.000 0.769 816 P CB 0.487 31.785 31.700 -0.670 0.000 0.807 817 I N 0.124 120.531 120.570 -0.272 0.000 2.533 817 I HA 0.261 4.432 4.170 0.003 0.000 0.290 817 I C 0.477 176.634 176.117 0.066 0.000 1.056 817 I CA -0.996 60.313 61.300 0.014 0.000 1.057 817 I CB 2.723 40.782 38.000 0.098 0.000 1.240 817 I HN -0.194 nan 8.210 nan 0.000 0.423 818 K N 4.049 124.536 120.400 0.145 0.000 2.138 818 K HA 0.206 4.527 4.320 0.003 0.000 0.251 818 K C 0.264 177.003 176.600 0.231 0.000 1.015 818 K CA -0.640 55.757 56.287 0.184 0.000 0.917 818 K CB 1.494 34.141 32.500 0.244 0.000 1.021 818 K HN 0.458 nan 8.250 nan 0.000 0.485 819 D N 1.022 121.551 120.400 0.214 0.000 2.240 819 D HA -0.062 4.580 4.640 0.003 0.000 0.206 819 D C 0.320 176.713 176.300 0.156 0.000 0.963 819 D CA 1.047 55.148 54.000 0.169 0.000 0.863 819 D CB 0.556 41.434 40.800 0.129 0.000 0.973 819 D HN 0.557 nan 8.370 nan 0.000 0.501 820 E N 0.409 120.721 120.200 0.187 0.000 2.259 820 E HA 0.423 4.774 4.350 0.003 0.000 0.257 820 E C -0.656 176.001 176.600 0.095 0.000 0.998 820 E CA -1.000 55.440 56.400 0.066 0.000 0.866 820 E CB 1.765 31.410 29.700 -0.092 0.000 1.220 820 E HN -0.168 nan 8.360 nan 0.000 0.415 821 L N 1.586 122.794 121.223 -0.026 0.000 2.276 821 L HA 0.288 4.629 4.340 0.003 0.000 0.286 821 L C -1.571 175.231 176.870 -0.113 0.000 1.061 821 L CA -0.384 54.472 54.840 0.026 0.000 0.807 821 L CB -0.108 41.969 42.059 0.031 0.000 1.177 821 L HN 0.459 nan 8.230 nan 0.000 0.429 822 Y N 3.308 123.651 120.300 0.073 0.000 2.328 822 Y HA 0.499 5.051 4.550 0.003 0.000 0.337 822 Y C 0.658 176.562 175.900 0.007 0.000 1.008 822 Y CA -0.532 57.633 58.100 0.108 0.000 1.129 822 Y CB 1.662 40.217 38.460 0.160 0.000 1.185 822 Y HN 0.511 nan 8.280 nan 0.000 0.476 823 T N 6.100 120.778 114.554 0.208 0.000 2.823 823 T HA 0.372 4.724 4.350 0.003 0.000 0.279 823 T C -2.499 172.314 174.700 0.188 0.000 0.998 823 T CA -1.773 60.383 62.100 0.094 0.000 0.994 823 T CB 1.196 70.096 68.868 0.053 0.000 0.960 823 T HN 0.354 nan 8.240 nan 0.000 0.448 824 P HA 0.384 nan 4.420 nan 0.000 0.274 824 P C -0.859 176.571 177.300 0.217 0.000 1.246 824 P CA -0.685 62.510 63.100 0.160 0.000 0.795 824 P CB 0.789 32.564 31.700 0.126 0.000 1.006 825 R N 1.450 122.095 120.500 0.242 0.000 2.575 825 R HA 0.651 4.993 4.340 0.003 0.000 0.293 825 R C -0.591 175.803 176.300 0.157 0.000 0.983 825 R CA -0.675 55.536 56.100 0.185 0.000 0.887 825 R CB 1.721 32.126 30.300 0.175 0.000 1.184 825 R HN 0.540 nan 8.270 nan 0.000 0.445 826 I N 2.126 122.765 120.570 0.115 0.000 2.534 826 I HA 0.129 4.300 4.170 0.003 0.000 0.286 826 I C 0.343 176.495 176.117 0.057 0.000 1.094 826 I CA -0.965 60.383 61.300 0.080 0.000 1.055 826 I CB 2.411 40.443 38.000 0.053 0.000 1.225 826 I HN 0.577 nan 8.210 nan 0.000 0.435 827 E N 5.183 125.412 120.200 0.048 0.000 2.502 827 E HA 0.286 4.637 4.350 0.003 0.000 0.261 827 E C 1.048 177.667 176.600 0.032 0.000 0.974 827 E CA 0.670 57.093 56.400 0.038 0.000 0.936 827 E CB 0.559 30.278 29.700 0.032 0.000 0.926 827 E HN 0.902 nan 8.360 nan 0.000 0.459 828 G N 2.388 111.207 108.800 0.030 0.000 2.234 828 G HA2 -0.382 3.579 3.960 0.003 0.000 0.235 828 G HA3 -0.382 3.579 3.960 0.003 0.000 0.235 828 G C 1.042 175.961 174.900 0.032 0.000 0.997 828 G CA 0.299 45.415 45.100 0.027 0.000 0.623 828 G HN 1.002 nan 8.290 nan 0.000 0.514 829 A N 0.810 123.655 122.820 0.041 0.000 1.865 829 A HA 0.017 4.338 4.320 0.003 0.000 0.217 829 A C 1.990 179.601 177.584 0.045 0.000 1.191 829 A CA 2.529 54.596 52.037 0.051 0.000 0.623 829 A CB -0.574 18.469 19.000 0.072 0.000 0.826 829 A HN 0.415 nan 8.150 nan 0.000 0.444 830 D N -0.643 119.781 120.400 0.040 0.000 2.104 830 D HA -0.166 4.475 4.640 0.003 0.000 0.194 830 D C 1.929 178.240 176.300 0.019 0.000 0.994 830 D CA 1.807 55.823 54.000 0.028 0.000 0.830 830 D CB -0.423 40.392 40.800 0.025 0.000 0.959 830 D HN 0.719 nan 8.370 nan 0.000 0.452 831 E N 1.201 121.413 120.200 0.020 0.000 2.106 831 E HA -0.176 4.176 4.350 0.003 0.000 0.192 831 E C 1.886 178.497 176.600 0.018 0.000 0.984 831 E CA 1.325 57.735 56.400 0.016 0.000 0.806 831 E CB -0.191 29.516 29.700 0.011 0.000 0.750 831 E HN 0.335 nan 8.360 nan 0.000 0.458 832 E N -0.221 119.990 120.200 0.019 0.000 2.047 832 E HA -0.141 4.210 4.350 0.003 0.000 0.191 832 E C 1.902 178.505 176.600 0.004 0.000 0.987 832 E CA 1.307 57.716 56.400 0.015 0.000 0.799 832 E CB -0.059 29.654 29.700 0.021 0.000 0.752 832 E HN 0.317 nan 8.360 nan 0.000 0.449 833 I N 1.243 121.817 120.570 0.005 0.000 2.208 833 I HA -0.271 3.901 4.170 0.003 0.000 0.245 833 I C 2.596 178.707 176.117 -0.009 0.000 1.097 833 I CA 1.300 62.590 61.300 -0.016 0.000 1.363 833 I CB -1.203 36.780 38.000 -0.028 0.000 1.051 833 I HN 0.230 nan 8.210 nan 0.000 0.413 834 R N 1.186 121.702 120.500 0.025 0.000 2.082 834 R HA -0.241 4.100 4.340 0.003 0.000 0.234 834 R C 2.285 178.677 176.300 0.153 0.000 1.136 834 R CA 2.354 58.515 56.100 0.101 0.000 0.935 834 R CB -0.108 30.247 30.300 0.093 0.000 0.842 834 R HN 0.513 nan 8.270 nan 0.000 0.430 835 E N 0.284 120.533 120.200 0.083 0.000 2.072 835 E HA -0.188 4.164 4.350 0.003 0.000 0.191 835 E C 2.058 178.698 176.600 0.066 0.000 0.985 835 E CA 1.471 57.919 56.400 0.080 0.000 0.801 835 E CB -0.553 29.168 29.700 0.035 0.000 0.750 835 E HN 0.292 nan 8.360 nan 0.000 0.452 836 M N 1.088 120.696 119.600 0.014 0.000 2.082 836 M HA -0.197 4.284 4.480 0.003 0.000 0.258 836 M C 2.332 178.611 176.300 -0.035 0.000 1.069 836 M CA 2.476 57.755 55.300 -0.036 0.000 1.102 836 M CB -0.402 32.130 32.600 -0.114 0.000 1.336 836 M HN 0.424 nan 8.290 nan 0.000 0.404 837 S N -1.092 114.583 115.700 -0.040 0.000 2.377 837 S HA -0.103 4.369 4.470 0.003 0.000 0.223 837 S C 1.706 176.259 174.600 -0.077 0.000 1.030 837 S CA 0.639 58.774 58.200 -0.108 0.000 0.970 837 S CB -0.919 62.171 63.200 -0.185 0.000 0.830 837 S HN 0.424 nan 8.310 nan 0.000 0.473 838 Y N 2.536 122.829 120.300 -0.011 0.000 2.181 838 Y HA -0.060 4.491 4.550 0.003 0.000 0.288 838 Y C 2.925 178.843 175.900 0.031 0.000 1.146 838 Y CA 1.675 59.786 58.100 0.019 0.000 1.164 838 Y CB -0.347 38.117 38.460 0.007 0.000 0.982 838 Y HN 0.259 nan 8.280 nan 0.000 0.515 839 R N 0.540 121.136 120.500 0.160 0.000 2.073 839 R HA -0.220 4.122 4.340 0.003 0.000 0.234 839 R C 2.347 178.695 176.300 0.080 0.000 1.134 839 R CA 1.899 58.060 56.100 0.102 0.000 0.952 839 R CB -0.291 30.048 30.300 0.066 0.000 0.850 839 R HN 0.148 nan 8.270 nan 0.000 0.433 840 R N 0.360 120.888 120.500 0.047 0.000 2.081 840 R HA -0.029 4.313 4.340 0.003 0.000 0.235 840 R C 2.158 178.506 176.300 0.079 0.000 1.131 840 R CA 1.735 57.855 56.100 0.034 0.000 0.960 840 R CB -0.518 29.772 30.300 -0.016 0.000 0.856 840 R HN 0.398 nan 8.270 nan 0.000 0.436 841 A N 0.692 123.577 122.820 0.109 0.000 1.902 841 A HA -0.176 4.146 4.320 0.003 0.000 0.217 841 A C 2.000 179.757 177.584 0.290 0.000 1.181 841 A CA 1.746 53.952 52.037 0.282 0.000 0.623 841 A CB -0.430 18.732 19.000 0.269 0.000 0.818 841 A HN 0.369 nan 8.150 nan 0.000 0.443 842 K N -0.071 120.447 120.400 0.197 0.000 2.057 842 K HA -0.190 4.132 4.320 0.003 0.000 0.207 842 K C 1.971 178.647 176.600 0.127 0.000 1.049 842 K CA 1.650 58.039 56.287 0.171 0.000 0.931 842 K CB -0.188 32.398 32.500 0.144 0.000 0.714 842 K HN 0.852 nan 8.250 nan 0.000 0.440 843 E N 0.523 120.779 120.200 0.094 0.000 2.274 843 E HA -0.138 4.213 4.350 0.003 0.000 0.194 843 E C 1.790 178.402 176.600 0.020 0.000 0.996 843 E CA 0.886 57.318 56.400 0.054 0.000 0.840 843 E CB -0.151 29.573 29.700 0.040 0.000 0.772 843 E HN 0.325 nan 8.360 nan 0.000 0.491 844 I N -0.526 120.048 120.570 0.006 0.000 2.429 844 I HA -0.122 4.050 4.170 0.003 0.000 0.247 844 I C 1.382 177.340 176.117 -0.264 0.000 1.099 844 I CA 0.822 62.023 61.300 -0.165 0.000 1.422 844 I CB 0.018 37.843 38.000 -0.292 0.000 1.112 844 I HN 0.020 nan 8.210 nan 0.000 0.430 845 Y N 0.880 121.244 120.300 0.107 0.000 2.444 845 Y HA 0.433 4.984 4.550 0.002 0.000 0.249 845 Y C 1.111 177.057 175.900 0.076 0.000 1.134 845 Y CA 0.221 58.378 58.100 0.095 0.000 1.261 845 Y CB 0.447 38.966 38.460 0.099 0.000 1.143 845 Y HN 0.194 nan 8.280 nan 0.000 0.523 846 G N 0.604 109.514 108.800 0.184 0.000 2.662 846 G HA2 -0.104 3.858 3.960 0.003 0.000 0.686 846 G HA3 -0.104 3.858 3.960 0.003 0.000 0.686 846 G C -1.759 173.212 174.900 0.119 0.000 1.271 846 G CA -0.712 44.465 45.100 0.129 0.000 0.816 846 G HN 0.045 nan 8.290 nan 0.000 0.608 847 D N 1.037 121.490 120.400 0.088 0.000 2.549 847 D HA 0.646 5.288 4.640 0.003 0.000 0.251 847 D C -1.003 175.331 176.300 0.057 0.000 1.153 847 D CA -0.770 53.274 54.000 0.074 0.000 0.861 847 D CB 1.474 42.313 40.800 0.064 0.000 1.207 847 D HN 0.495 nan 8.370 nan 0.000 0.543 848 P HA 0.351 nan 4.420 nan 0.000 0.277 848 P C -0.152 177.185 177.300 0.062 0.000 1.271 848 P CA -0.561 62.569 63.100 0.052 0.000 0.795 848 P CB 1.006 32.724 31.700 0.031 0.000 1.101 849 L N 0.610 121.872 121.223 0.065 0.000 2.453 849 L HA 0.304 4.646 4.340 0.003 0.000 0.261 849 L C -1.901 174.961 176.870 -0.013 0.000 1.179 849 L CA -1.969 52.901 54.840 0.050 0.000 0.813 849 L CB -0.331 41.754 42.059 0.043 0.000 1.110 849 L HN 0.288 nan 8.230 nan 0.000 0.466 850 P HA 0.045 nan 4.420 nan 0.000 0.268 850 P C 0.156 177.336 177.300 -0.201 0.000 1.205 850 P CA -0.274 62.750 63.100 -0.127 0.000 0.771 850 P CB 0.674 32.270 31.700 -0.172 0.000 0.858 851 K N 2.605 122.898 120.400 -0.179 0.000 2.052 851 K HA -0.207 4.115 4.320 0.003 0.000 0.215 851 K C 1.720 178.161 176.600 -0.265 0.000 1.053 851 K CA 1.419 57.599 56.287 -0.178 0.000 0.934 851 K CB -0.577 31.834 32.500 -0.149 0.000 0.717 851 K HN 0.325 nan 8.250 nan 0.000 0.450 852 L N 1.000 121.988 121.223 -0.393 0.000 1.978 852 L HA -0.223 4.119 4.340 0.003 0.000 0.218 852 L C 2.204 178.749 176.870 -0.542 0.000 1.075 852 L CA 1.908 56.433 54.840 -0.526 0.000 0.767 852 L CB -1.021 40.513 42.059 -0.876 0.000 0.890 852 L HN 0.175 nan 8.230 nan 0.000 0.434 853 V N 0.036 119.576 119.914 -0.623 0.000 2.343 853 V HA -0.269 3.852 4.120 0.003 0.000 0.247 853 V C 2.612 178.467 176.094 -0.399 0.000 1.051 853 V CA 1.841 63.750 62.300 -0.652 0.000 1.036 853 V CB -0.622 30.804 31.823 -0.662 0.000 0.654 853 V HN 0.488 nan 8.190 nan 0.000 0.451 854 E N 0.590 120.638 120.200 -0.253 0.000 2.085 854 E HA -0.253 4.099 4.350 0.003 0.000 0.194 854 E C 2.136 178.659 176.600 -0.129 0.000 0.994 854 E CA 1.863 58.193 56.400 -0.117 0.000 0.801 854 E CB -0.182 29.491 29.700 -0.046 0.000 0.743 854 E HN 0.690 nan 8.360 nan 0.000 0.453 855 E N -0.597 119.498 120.200 -0.175 0.000 2.208 855 E HA -0.163 4.189 4.350 0.003 0.000 0.193 855 E C 2.133 178.624 176.600 -0.181 0.000 0.988 855 E CA 0.654 56.964 56.400 -0.149 0.000 0.828 855 E CB -0.013 29.598 29.700 -0.148 0.000 0.763 855 E HN 0.024 nan 8.360 nan 0.000 0.478 856 R N 1.112 121.459 120.500 -0.255 0.000 2.075 856 R HA -0.075 4.267 4.340 0.003 0.000 0.232 856 R C 2.054 178.213 176.300 -0.236 0.000 1.126 856 R CA 1.056 56.993 56.100 -0.271 0.000 0.963 856 R CB -0.372 29.692 30.300 -0.393 0.000 0.858 856 R HN 0.117 nan 8.270 nan 0.000 0.435 857 L N -0.050 121.043 121.223 -0.218 0.000 1.994 857 L HA -0.133 4.209 4.340 0.003 0.000 0.208 857 L C 2.368 179.127 176.870 -0.186 0.000 1.071 857 L CA 1.831 56.523 54.840 -0.248 0.000 0.745 857 L CB -0.505 41.248 42.059 -0.510 0.000 0.892 857 L HN 0.273 nan 8.230 nan 0.000 0.431 858 E N 0.090 120.237 120.200 -0.088 0.000 2.097 858 E HA -0.299 4.053 4.350 0.003 0.000 0.196 858 E C 2.173 178.723 176.600 -0.083 0.000 1.000 858 E CA 1.701 58.090 56.400 -0.018 0.000 0.804 858 E CB -0.022 29.688 29.700 0.016 0.000 0.740 858 E HN 0.337 nan 8.360 nan 0.000 0.454 859 K N 0.791 121.110 120.400 -0.135 0.000 2.167 859 K HA -0.149 4.172 4.320 0.003 0.000 0.203 859 K C 1.873 178.316 176.600 -0.260 0.000 1.052 859 K CA 1.287 57.486 56.287 -0.148 0.000 0.956 859 K CB 0.094 32.513 32.500 -0.135 0.000 0.735 859 K HN 0.022 nan 8.250 nan 0.000 0.451 860 E N 0.626 120.580 120.200 -0.410 0.000 2.072 860 E HA -0.069 4.282 4.350 0.003 0.000 0.190 860 E C 2.066 178.442 176.600 -0.374 0.000 0.982 860 E CA 0.735 56.705 56.400 -0.718 0.000 0.803 860 E CB 0.087 29.337 29.700 -0.750 0.000 0.755 860 E HN 0.305 nan 8.360 nan 0.000 0.453 861 L N 0.986 122.073 121.223 -0.227 0.000 2.072 861 L HA -0.169 4.172 4.340 0.003 0.000 0.205 861 L C 2.498 179.321 176.870 -0.080 0.000 1.079 861 L CA 1.306 56.063 54.840 -0.138 0.000 0.752 861 L CB -0.388 41.630 42.059 -0.068 0.000 0.906 861 L HN 0.099 nan 8.230 nan 0.000 0.436 862 K N -0.919 119.440 120.400 -0.067 0.000 2.148 862 K HA -0.135 4.186 4.320 0.003 0.000 0.204 862 K C 2.200 178.769 176.600 -0.052 0.000 1.050 862 K CA 1.575 57.832 56.287 -0.049 0.000 0.942 862 K CB -0.344 32.132 32.500 -0.041 0.000 0.724 862 K HN 0.034 nan 8.250 nan 0.000 0.446 863 S N 1.104 116.802 115.700 -0.003 0.000 2.335 863 S HA -0.027 4.444 4.470 0.003 0.000 0.217 863 S C 1.979 176.680 174.600 0.168 0.000 1.032 863 S CA 0.806 59.075 58.200 0.115 0.000 0.985 863 S CB -0.308 63.086 63.200 0.323 0.000 0.896 863 S HN 0.366 nan 8.310 nan 0.000 0.445 864 I N 1.247 121.911 120.570 0.156 0.000 2.208 864 I HA -0.203 3.969 4.170 0.003 0.000 0.245 864 I C 2.143 178.348 176.117 0.146 0.000 1.097 864 I CA 1.332 62.719 61.300 0.145 0.000 1.363 864 I CB -0.347 37.586 38.000 -0.112 0.000 1.051 864 I HN 0.350 nan 8.210 nan 0.000 0.413 865 I N 0.272 120.869 120.570 0.044 0.000 2.193 865 I HA -0.145 4.026 4.170 0.003 0.000 0.240 865 I C 2.703 178.846 176.117 0.044 0.000 1.084 865 I CA 1.506 62.833 61.300 0.044 0.000 1.365 865 I CB -0.869 37.131 38.000 0.000 0.000 1.064 865 I HN 0.227 nan 8.210 nan 0.000 0.410 866 G N 0.187 108.958 108.800 -0.048 0.000 2.440 866 G HA2 -0.223 3.738 3.960 0.003 0.000 0.218 866 G HA3 -0.223 3.738 3.960 0.003 0.000 0.218 866 G C 1.357 176.178 174.900 -0.132 0.000 1.154 866 G CA 0.686 45.696 45.100 -0.150 0.000 0.767 866 G HN 0.420 nan 8.290 nan 0.000 0.552 867 H N 0.375 119.546 119.070 0.170 0.000 2.533 867 H HA 0.222 4.779 4.556 0.003 0.000 0.271 867 H C 1.996 177.543 175.328 0.364 0.000 1.000 867 H CA 0.389 56.585 56.048 0.245 0.000 1.149 867 H CB -0.014 29.886 29.762 0.230 0.000 1.375 867 H HN 0.446 nan 8.280 nan 0.000 0.582 868 G N 0.605 109.611 108.800 0.343 0.000 2.171 868 G HA2 -0.273 3.689 3.960 0.003 0.000 0.238 868 G HA3 -0.273 3.689 3.960 0.003 0.000 0.238 868 G C 0.413 175.409 174.900 0.161 0.000 1.039 868 G CA 0.004 45.229 45.100 0.209 0.000 0.759 868 G HN 0.435 nan 8.290 nan 0.000 0.501 869 F N 0.074 120.131 119.950 0.178 0.000 2.721 869 F HA 0.434 4.962 4.527 0.002 0.000 0.301 869 F C 2.539 178.492 175.800 0.254 0.000 1.096 869 F CA 0.787 58.942 58.000 0.258 0.000 1.308 869 F CB 0.256 39.480 39.000 0.373 0.000 1.086 869 F HN 0.298 nan 8.300 nan 0.000 0.587 870 A N 0.187 123.162 122.820 0.258 0.000 1.908 870 A HA -0.167 4.155 4.320 0.003 0.000 0.218 870 A C 2.302 180.024 177.584 0.230 0.000 1.181 870 A CA 2.053 54.187 52.037 0.162 0.000 0.627 870 A CB -1.111 17.935 19.000 0.077 0.000 0.818 870 A HN 0.148 nan 8.150 nan 0.000 0.445 871 V N 1.046 121.081 119.914 0.203 0.000 2.252 871 V HA -0.346 3.775 4.120 0.003 0.000 0.249 871 V C 2.565 178.813 176.094 0.256 0.000 1.056 871 V CA 2.351 64.772 62.300 0.201 0.000 1.022 871 V CB -0.924 31.022 31.823 0.205 0.000 0.641 871 V HN 0.787 nan 8.190 nan 0.000 0.445 872 I N -2.942 117.806 120.570 0.296 0.000 2.493 872 I HA -0.227 3.944 4.170 0.003 0.000 0.254 872 I C 2.449 178.756 176.117 0.317 0.000 1.160 872 I CA 1.770 63.253 61.300 0.304 0.000 1.445 872 I CB -0.753 37.396 38.000 0.247 0.000 1.086 872 I HN 0.196 nan 8.210 nan 0.000 0.433 873 Y N 1.102 121.530 120.300 0.213 0.000 2.128 873 Y HA -0.225 4.326 4.550 0.003 0.000 0.284 873 Y C 2.494 178.486 175.900 0.153 0.000 1.154 873 Y CA 2.168 60.371 58.100 0.172 0.000 1.149 873 Y CB -0.578 37.969 38.460 0.145 0.000 0.976 873 Y HN 0.189 nan 8.280 nan 0.000 0.505 874 L N -0.716 120.690 121.223 0.305 0.000 1.994 874 L HA -0.201 4.140 4.340 0.003 0.000 0.208 874 L C 2.069 179.058 176.870 0.198 0.000 1.071 874 L CA 1.493 56.463 54.840 0.218 0.000 0.745 874 L CB -0.783 41.362 42.059 0.144 0.000 0.892 874 L HN 0.107 nan 8.230 nan 0.000 0.431 875 I N -0.815 119.836 120.570 0.135 0.000 2.208 875 I HA -0.297 3.875 4.170 0.003 0.000 0.245 875 I C 2.565 178.771 176.117 0.149 0.000 1.097 875 I CA 1.414 62.750 61.300 0.060 0.000 1.363 875 I CB -0.823 37.183 38.000 0.010 0.000 1.051 875 I HN 0.183 nan 8.210 nan 0.000 0.413 876 S N -0.950 114.863 115.700 0.187 0.000 2.368 876 S HA -0.283 4.188 4.470 0.003 0.000 0.225 876 S C 2.059 176.779 174.600 0.199 0.000 1.030 876 S CA 1.584 59.895 58.200 0.186 0.000 0.999 876 S CB -0.569 62.699 63.200 0.113 0.000 0.844 876 S HN 0.634 nan 8.310 nan 0.000 0.459 877 H N 1.647 120.783 119.070 0.110 0.000 2.352 877 H HA 0.000 4.558 4.556 0.003 0.000 0.299 877 H C 1.904 177.312 175.328 0.134 0.000 1.097 877 H CA 1.857 57.965 56.048 0.100 0.000 1.311 877 H CB -0.053 29.765 29.762 0.093 0.000 1.377 877 H HN 0.246 nan 8.280 nan 0.000 0.504 878 K N -0.149 120.310 120.400 0.098 0.000 2.103 878 K HA -0.052 4.269 4.320 0.003 0.000 0.204 878 K C 2.369 179.119 176.600 0.251 0.000 1.052 878 K CA 1.171 57.520 56.287 0.104 0.000 0.945 878 K CB 0.009 32.621 32.500 0.188 0.000 0.722 878 K HN 0.278 nan 8.250 nan 0.000 0.443 879 L N 0.578 121.986 121.223 0.307 0.000 2.017 879 L HA -0.214 4.128 4.340 0.003 0.000 0.208 879 L C 2.363 179.456 176.870 0.373 0.000 1.073 879 L CA 1.067 56.160 54.840 0.422 0.000 0.745 879 L CB -0.546 41.786 42.059 0.456 0.000 0.894 879 L HN -0.018 nan 8.230 nan 0.000 0.432 880 V N -0.005 120.051 119.914 0.236 0.000 2.287 880 V HA -0.342 3.780 4.120 0.003 0.000 0.248 880 V C 2.561 178.660 176.094 0.009 0.000 1.053 880 V CA 2.031 64.386 62.300 0.091 0.000 1.027 880 V CB -0.564 31.250 31.823 -0.015 0.000 0.646 880 V HN 0.439 nan 8.190 nan 0.000 0.447 881 K N 0.204 120.551 120.400 -0.088 0.000 2.063 881 K HA -0.262 4.060 4.320 0.003 0.000 0.208 881 K C 2.333 178.897 176.600 -0.061 0.000 1.048 881 K CA 1.892 58.105 56.287 -0.123 0.000 0.928 881 K CB -0.188 32.161 32.500 -0.253 0.000 0.713 881 K HN 0.383 nan 8.250 nan 0.000 0.442 882 K N 0.193 120.569 120.400 -0.040 0.000 2.097 882 K HA -0.128 4.193 4.320 0.003 0.000 0.206 882 K C 2.176 178.757 176.600 -0.031 0.000 1.049 882 K CA 1.559 57.787 56.287 -0.098 0.000 0.933 882 K CB -0.182 32.113 32.500 -0.342 0.000 0.717 882 K HN 0.073 nan 8.250 nan 0.000 0.442 883 S N 0.770 116.474 115.700 0.007 0.000 2.370 883 S HA -0.115 4.356 4.470 0.003 0.000 0.226 883 S C 1.977 176.474 174.600 -0.172 0.000 1.033 883 S CA 1.133 59.200 58.200 -0.222 0.000 1.011 883 S CB -0.193 62.945 63.200 -0.103 0.000 0.852 883 S HN 0.335 nan 8.310 nan 0.000 0.457 884 L N 1.157 122.329 121.223 -0.085 0.000 2.027 884 L HA -0.080 4.262 4.340 0.003 0.000 0.206 884 L C 2.402 179.241 176.870 -0.052 0.000 1.074 884 L CA 1.458 56.257 54.840 -0.068 0.000 0.745 884 L CB -0.608 41.418 42.059 -0.056 0.000 0.898 884 L HN 0.227 nan 8.230 nan 0.000 0.433 885 D N 0.020 120.395 120.400 -0.041 0.000 2.149 885 D HA -0.192 4.449 4.640 0.003 0.000 0.198 885 D C 1.590 177.885 176.300 -0.008 0.000 0.990 885 D CA 1.259 55.243 54.000 -0.027 0.000 0.839 885 D CB -0.282 40.500 40.800 -0.029 0.000 0.948 885 D HN 0.306 nan 8.370 nan 0.000 0.460 886 D N -0.824 119.584 120.400 0.014 0.000 2.371 886 D HA 0.084 4.725 4.640 0.003 0.000 0.221 886 D C 1.492 177.851 176.300 0.098 0.000 0.986 886 D CA 0.968 55.028 54.000 0.099 0.000 0.899 886 D CB 0.396 41.342 40.800 0.243 0.000 0.902 886 D HN 0.347 nan 8.370 nan 0.000 0.530 887 G N -0.165 108.625 108.800 -0.018 0.000 2.148 887 G HA2 -0.243 3.719 3.960 0.003 0.000 0.203 887 G HA3 -0.243 3.719 3.960 0.003 0.000 0.203 887 G C -0.287 174.417 174.900 -0.326 0.000 0.993 887 G CA -0.545 44.462 45.100 -0.155 0.000 0.661 887 G HN 0.299 nan 8.290 nan 0.000 0.518 888 Y N 0.742 120.922 120.300 -0.200 0.000 2.338 888 Y HA 0.573 5.124 4.550 0.002 0.000 0.328 888 Y C 0.900 176.677 175.900 -0.205 0.000 0.965 888 Y CA -1.138 56.830 58.100 -0.219 0.000 1.208 888 Y CB 0.990 39.223 38.460 -0.379 0.000 1.132 888 Y HN 0.399 nan 8.280 nan 0.000 0.469 889 L N 1.658 122.863 121.223 -0.030 0.000 2.473 889 L HA 0.589 4.930 4.340 0.003 0.000 0.265 889 L C -0.505 176.318 176.870 -0.077 0.000 1.243 889 L CA -0.570 54.236 54.840 -0.056 0.000 0.822 889 L CB 0.050 42.078 42.059 -0.052 0.000 1.101 889 L HN 0.260 nan 8.230 nan 0.000 0.507 890 V N 0.129 119.960 119.914 -0.139 0.000 2.588 890 V HA 0.703 4.824 4.120 0.003 0.000 0.304 890 V C 0.600 176.568 176.094 -0.209 0.000 1.042 890 V CA -0.235 61.910 62.300 -0.260 0.000 0.877 890 V CB 1.307 32.866 31.823 -0.440 0.000 0.996 890 V HN 1.105 nan 8.190 nan 0.000 0.425 891 G N 2.334 111.006 108.800 -0.212 0.000 2.395 891 G HA2 0.487 4.449 3.960 0.003 0.000 0.283 891 G HA3 0.487 4.449 3.960 0.003 0.000 0.283 891 G C -0.024 174.773 174.900 -0.172 0.000 1.178 891 G CA -0.195 44.797 45.100 -0.181 0.000 0.837 891 G HN 0.645 nan 8.290 nan 0.000 0.518 892 S N 0.184 115.816 115.700 -0.113 0.000 2.603 892 S HA 0.624 5.096 4.470 0.003 0.000 0.268 892 S C 0.382 174.956 174.600 -0.043 0.000 1.317 892 S CA -0.260 57.894 58.200 -0.077 0.000 1.012 892 S CB 1.227 64.400 63.200 -0.046 0.000 0.926 892 S HN 0.725 nan 8.310 nan 0.000 0.539 893 R N -0.475 120.011 120.500 -0.023 0.000 2.664 893 R HA 0.511 4.852 4.340 0.003 0.000 0.266 893 R C -0.138 176.209 176.300 0.078 0.000 1.046 893 R CA 0.344 56.467 56.100 0.039 0.000 0.885 893 R CB 0.877 31.247 30.300 0.116 0.000 1.254 893 R HN 1.020 nan 8.270 nan 0.000 0.465 894 G N 0.877 109.797 108.800 0.199 0.000 2.698 894 G HA2 -0.324 3.638 3.960 0.003 0.000 0.233 894 G HA3 -0.324 3.638 3.960 0.003 0.000 0.233 894 G C 0.413 175.357 174.900 0.073 0.000 1.352 894 G CA 0.156 45.312 45.100 0.094 0.000 0.879 894 G HN 1.051 nan 8.290 nan 0.000 0.567 895 S N -0.843 114.927 115.700 0.117 0.000 2.562 895 S HA 0.129 4.601 4.470 0.003 0.000 0.221 895 S C 2.457 177.144 174.600 0.145 0.000 0.975 895 S CA 1.885 60.181 58.200 0.160 0.000 0.918 895 S CB -0.068 63.272 63.200 0.232 0.000 0.772 895 S HN 2.016 nan 8.310 nan 0.000 0.531 896 V N 0.342 120.268 119.914 0.021 0.000 2.568 896 V HA 0.043 4.165 4.120 0.003 0.000 0.253 896 V C 2.490 178.448 176.094 -0.227 0.000 1.072 896 V CA 1.582 63.665 62.300 -0.361 0.000 1.084 896 V CB -1.994 29.604 31.823 -0.376 0.000 0.676 896 V HN 0.513 nan 8.190 nan 0.000 0.469 897 G N 0.444 109.198 108.800 -0.077 0.000 2.527 897 G HA2 -0.175 3.786 3.960 0.003 0.000 0.219 897 G HA3 -0.175 3.786 3.960 0.003 0.000 0.219 897 G C 1.431 176.353 174.900 0.037 0.000 1.117 897 G CA 0.984 46.074 45.100 -0.017 0.000 0.759 897 G HN 0.631 nan 8.290 nan 0.000 0.556 898 S N -0.542 115.179 115.700 0.036 0.000 2.607 898 S HA 0.175 4.646 4.470 0.003 0.000 0.224 898 S C 0.995 175.713 174.600 0.197 0.000 0.969 898 S CA 0.310 58.577 58.200 0.112 0.000 0.927 898 S CB 0.221 63.492 63.200 0.119 0.000 0.772 898 S HN 0.281 nan 8.310 nan 0.000 0.533 899 S N 0.661 116.443 115.700 0.137 0.000 2.640 899 S HA 0.429 4.900 4.470 0.003 0.000 0.320 899 S C 0.279 174.982 174.600 0.170 0.000 1.097 899 S CA -0.844 57.502 58.200 0.243 0.000 1.092 899 S CB 0.230 63.522 63.200 0.153 0.000 0.988 899 S HN 0.269 nan 8.310 nan 0.000 0.470 900 F N 5.478 125.435 119.950 0.012 0.000 2.269 900 F HA -0.004 4.525 4.527 0.003 0.000 0.301 900 F C 1.666 177.450 175.800 -0.027 0.000 1.082 900 F CA 1.471 59.458 58.000 -0.023 0.000 1.360 900 F CB -0.161 38.787 39.000 -0.087 0.000 1.041 900 F HN 0.515 nan 8.300 nan 0.000 0.512 901 V N 0.429 120.296 119.914 -0.079 0.000 2.407 901 V HA -0.308 3.813 4.120 0.003 0.000 0.248 901 V C 2.753 178.849 176.094 0.003 0.000 1.055 901 V CA 1.729 63.951 62.300 -0.131 0.000 1.049 901 V CB -1.505 30.243 31.823 -0.125 0.000 0.662 901 V HN 0.468 nan 8.190 nan 0.000 0.455 902 A N -0.105 122.800 122.820 0.141 0.000 1.902 902 A HA -0.218 4.104 4.320 0.003 0.000 0.217 902 A C 2.405 179.959 177.584 -0.050 0.000 1.181 902 A CA 2.474 54.549 52.037 0.063 0.000 0.623 902 A CB -0.931 18.004 19.000 -0.110 0.000 0.818 902 A HN 0.520 nan 8.150 nan 0.000 0.443 903 T N 0.189 114.678 114.554 -0.108 0.000 2.674 903 T HA -0.140 4.212 4.350 0.003 0.000 0.265 903 T C 1.878 176.456 174.700 -0.203 0.000 1.039 903 T CA 1.652 63.674 62.100 -0.131 0.000 1.150 903 T CB -0.266 68.533 68.868 -0.115 0.000 0.864 903 T HN 0.279 nan 8.240 nan 0.000 0.427 904 M N 2.042 121.401 119.600 -0.401 0.000 2.374 904 M HA -0.010 4.472 4.480 0.003 0.000 0.264 904 M C 2.295 178.501 176.300 -0.156 0.000 1.067 904 M CA 1.213 56.316 55.300 -0.330 0.000 1.103 904 M CB -1.639 30.674 32.600 -0.478 0.000 1.402 904 M HN 0.447 nan 8.290 nan 0.000 0.444 905 T N -2.924 111.569 114.554 -0.101 0.000 3.188 905 T HA 0.153 4.504 4.350 0.003 0.000 0.250 905 T C 0.374 175.128 174.700 0.090 0.000 1.077 905 T CA -0.112 61.953 62.100 -0.059 0.000 0.967 905 T CB -0.333 68.537 68.868 0.003 0.000 1.006 905 T HN 0.512 nan 8.240 nan 0.000 0.552 906 E N -0.378 119.857 120.200 0.059 0.000 2.476 906 E HA -0.176 4.176 4.350 0.003 0.000 0.251 906 E C 0.034 176.685 176.600 0.086 0.000 1.130 906 E CA 0.169 56.623 56.400 0.090 0.000 0.736 906 E CB -1.519 28.264 29.700 0.138 0.000 1.298 906 E HN 0.457 nan 8.360 nan 0.000 0.400 907 I N -0.422 120.170 120.570 0.038 0.000 3.941 907 I HA 0.053 4.225 4.170 0.003 0.000 0.321 907 I C 0.850 176.931 176.117 -0.060 0.000 1.284 907 I CA 0.945 62.236 61.300 -0.014 0.000 1.226 907 I CB 1.321 39.283 38.000 -0.063 0.000 1.045 907 I HN 0.150 nan 8.210 nan 0.000 0.420 908 T N -1.544 112.984 114.554 -0.043 0.000 2.932 908 T HA 0.281 4.633 4.350 0.003 0.000 0.318 908 T C 0.291 174.991 174.700 0.000 0.000 1.265 908 T CA -0.441 61.637 62.100 -0.036 0.000 1.036 908 T CB 1.248 70.090 68.868 -0.043 0.000 1.209 908 T HN 0.115 nan 8.240 nan 0.000 0.484 909 E N 1.292 121.502 120.200 0.017 0.000 2.474 909 E HA 0.182 4.533 4.350 0.003 0.000 0.194 909 E C 0.125 176.792 176.600 0.112 0.000 1.041 909 E CA 0.050 56.487 56.400 0.060 0.000 0.874 909 E CB 0.548 30.285 29.700 0.062 0.000 0.914 909 E HN 0.363 nan 8.360 nan 0.000 0.498 910 V N 2.187 122.156 119.914 0.092 0.000 2.455 910 V HA 0.039 4.161 4.120 0.003 0.000 0.273 910 V C -0.028 176.173 176.094 0.178 0.000 1.045 910 V CA -0.152 62.231 62.300 0.140 0.000 0.976 910 V CB 0.775 32.641 31.823 0.071 0.000 0.993 910 V HN 0.140 nan 8.190 nan 0.000 0.475 911 N N 6.737 125.579 118.700 0.237 0.000 2.457 911 N HA 0.386 5.128 4.740 0.003 0.000 0.250 911 N C -1.908 173.735 175.510 0.221 0.000 0.982 911 N CA -1.615 51.581 53.050 0.245 0.000 0.941 911 N CB 1.892 40.519 38.487 0.234 0.000 1.120 911 N HN 0.360 nan 8.380 nan 0.000 0.505 912 P HA 0.051 nan 4.420 nan 0.000 0.261 912 P C 0.055 177.429 177.300 0.124 0.000 1.268 912 P CA 0.089 63.300 63.100 0.185 0.000 0.833 912 P CB 0.431 32.244 31.700 0.189 0.000 1.231 913 L N 0.620 121.912 121.223 0.113 0.000 2.473 913 L HA 0.153 4.495 4.340 0.003 0.000 0.265 913 L C -1.850 175.095 176.870 0.126 0.000 1.243 913 L CA -1.743 53.115 54.840 0.031 0.000 0.822 913 L CB -0.901 41.134 42.059 -0.041 0.000 1.101 913 L HN -0.180 nan 8.230 nan 0.000 0.507 914 P HA 0.077 nan 4.420 nan 0.000 0.271 914 P C -2.497 174.977 177.300 0.291 0.000 1.233 914 P CA -0.888 62.324 63.100 0.187 0.000 0.789 914 P CB -0.178 31.630 31.700 0.179 0.000 0.951 915 P HA 0.047 nan 4.420 nan 0.000 0.266 915 P C -0.655 176.667 177.300 0.036 0.000 1.195 915 P CA 0.972 64.070 63.100 -0.004 0.000 0.768 915 P CB 0.135 31.845 31.700 0.017 0.000 0.838 916 H N -0.095 118.795 119.070 -0.300 0.000 2.967 916 H HA 0.334 4.892 4.556 0.003 0.000 0.318 916 H C -1.532 173.450 175.328 -0.576 0.000 1.375 916 H CA -0.726 54.963 56.048 -0.598 0.000 1.132 916 H CB 0.171 29.189 29.762 -1.240 0.000 1.848 916 H HN 0.291 nan 8.280 nan 0.000 0.524 917 Y N 0.590 120.645 120.300 -0.407 0.000 2.361 917 Y HA 0.494 5.046 4.550 0.003 0.000 0.332 917 Y C 0.316 175.976 175.900 -0.400 0.000 1.101 917 Y CA -0.849 56.884 58.100 -0.612 0.000 1.137 917 Y CB 2.275 39.877 38.460 -1.430 0.000 1.207 917 Y HN 0.533 nan 8.280 nan 0.000 0.463 918 V N -0.070 119.888 119.914 0.074 0.000 2.841 918 V HA 0.419 4.541 4.120 0.003 0.000 0.310 918 V C -0.683 175.643 176.094 0.388 0.000 1.090 918 V CA -1.386 61.043 62.300 0.215 0.000 0.930 918 V CB 1.224 33.068 31.823 0.036 0.000 1.014 918 V HN 0.920 nan 8.190 nan 0.000 0.425 919 C N 6.421 125.928 119.300 0.346 0.000 2.415 919 C HA 0.580 5.042 4.460 0.003 0.000 0.369 919 C C -0.615 174.411 174.990 0.061 0.000 1.279 919 C CA -1.098 58.018 59.018 0.164 0.000 1.886 919 C CB 0.974 28.741 27.740 0.044 0.000 2.468 919 C HN 0.895 nan 8.230 nan 0.000 0.553 920 P HA -0.034 nan 4.420 nan 0.000 0.245 920 P C 0.580 177.875 177.300 -0.007 0.000 1.212 920 P CA 1.083 64.183 63.100 0.000 0.000 0.774 920 P CB -0.075 31.622 31.700 -0.004 0.000 0.999 921 N N -0.074 118.621 118.700 -0.009 0.000 2.660 921 N HA -0.051 4.690 4.740 0.003 0.000 0.231 921 N C 1.714 177.223 175.510 -0.001 0.000 1.022 921 N CA 0.773 53.815 53.050 -0.014 0.000 1.178 921 N CB -0.148 38.319 38.487 -0.034 0.000 1.536 921 N HN 0.096 nan 8.380 nan 0.000 0.582 922 C N 0.384 119.685 119.300 0.001 0.000 2.495 922 C HA 0.443 4.905 4.460 0.003 0.000 0.275 922 C C 1.098 176.126 174.990 0.064 0.000 1.392 922 C CA 0.153 59.185 59.018 0.024 0.000 1.766 922 C CB -0.888 26.859 27.740 0.010 0.000 1.933 922 C HN 0.672 nan 8.230 nan 0.000 0.519 923 K N -1.293 119.153 120.400 0.076 0.000 3.470 923 K HA -0.241 4.081 4.320 0.003 0.000 0.305 923 K C 0.156 176.851 176.600 0.159 0.000 1.363 923 K CA 1.088 57.429 56.287 0.091 0.000 0.927 923 K CB -2.542 29.993 32.500 0.058 0.000 1.355 923 K HN 0.903 nan 8.250 nan 0.000 0.466 924 H N 0.769 119.904 119.070 0.108 0.000 2.972 924 H HA 0.244 4.802 4.556 0.003 0.000 0.343 924 H C -0.296 175.172 175.328 0.234 0.000 1.054 924 H CA 1.211 57.351 56.048 0.153 0.000 1.412 924 H CB 0.627 30.464 29.762 0.125 0.000 1.385 924 H HN 0.168 nan 8.280 nan 0.000 0.600 925 S N 3.848 119.326 115.700 -0.371 0.000 2.607 925 S HA 0.422 4.893 4.470 0.003 0.000 0.303 925 S C -1.108 173.268 174.600 -0.374 0.000 1.086 925 S CA -1.118 56.953 58.200 -0.214 0.000 0.995 925 S CB 1.760 64.985 63.200 0.041 0.000 1.084 925 S HN 0.748 nan 8.310 nan 0.000 0.507 926 E N 0.881 120.875 120.200 -0.343 0.000 2.274 926 E HA 0.508 4.859 4.350 0.003 0.000 0.269 926 E C -1.654 174.509 176.600 -0.729 0.000 0.891 926 E CA -0.570 55.614 56.400 -0.360 0.000 0.784 926 E CB 1.142 30.733 29.700 -0.182 0.000 1.225 926 E HN 0.384 nan 8.360 nan 0.000 0.412 927 F N 1.308 120.893 119.950 -0.609 0.000 2.483 927 F HA 0.555 5.083 4.527 0.003 0.000 0.329 927 F C -0.337 174.944 175.800 -0.865 0.000 1.064 927 F CA -0.913 56.727 58.000 -0.600 0.000 0.986 927 F CB 1.220 40.021 39.000 -0.331 0.000 1.218 927 F HN 0.388 nan 8.300 nan 0.000 0.484 928 F N 0.933 120.967 119.950 0.140 0.000 2.496 928 F HA 0.369 4.898 4.527 0.003 0.000 0.341 928 F C 0.193 176.030 175.800 0.062 0.000 1.134 928 F CA -0.643 57.396 58.000 0.065 0.000 0.968 928 F CB 1.092 40.090 39.000 -0.004 0.000 1.205 928 F HN 0.356 nan 8.300 nan 0.000 0.436 929 N N 0.906 119.716 118.700 0.184 0.000 2.205 929 N HA -0.040 4.702 4.740 0.003 0.000 0.201 929 N C 0.942 176.511 175.510 0.099 0.000 1.128 929 N CA 0.001 53.118 53.050 0.112 0.000 0.867 929 N CB 0.128 38.646 38.487 0.052 0.000 0.996 929 N HN 0.461 nan 8.380 nan 0.000 0.503 930 D N 0.563 121.038 120.400 0.124 0.000 2.322 930 D HA -0.158 4.483 4.640 0.003 0.000 0.210 930 D C 1.576 177.910 176.300 0.057 0.000 0.983 930 D CA 1.346 55.398 54.000 0.086 0.000 0.902 930 D CB -0.330 40.523 40.800 0.088 0.000 0.905 930 D HN 0.366 nan 8.370 nan 0.000 0.483 931 G N 0.582 109.421 108.800 0.064 0.000 2.196 931 G HA2 -0.413 3.549 3.960 0.003 0.000 0.268 931 G HA3 -0.413 3.549 3.960 0.003 0.000 0.268 931 G C 1.313 176.227 174.900 0.024 0.000 0.975 931 G CA 1.303 46.427 45.100 0.039 0.000 0.648 931 G HN 0.537 nan 8.290 nan 0.000 0.538 932 S N -1.269 114.444 115.700 0.022 0.000 2.368 932 S HA 0.203 4.674 4.470 0.003 0.000 0.225 932 S C 1.113 175.698 174.600 -0.024 0.000 1.030 932 S CA 1.236 59.433 58.200 -0.004 0.000 0.999 932 S CB 0.053 63.244 63.200 -0.015 0.000 0.844 932 S HN 0.955 nan 8.310 nan 0.000 0.459 933 V N 2.154 122.045 119.914 -0.038 0.000 2.432 933 V HA 0.562 4.684 4.120 0.003 0.000 0.275 933 V C 1.689 177.777 176.094 -0.009 0.000 1.043 933 V CA -0.071 62.192 62.300 -0.063 0.000 0.925 933 V CB 0.902 32.630 31.823 -0.158 0.000 0.985 933 V HN 0.437 nan 8.190 nan 0.000 0.466 934 G N 3.292 112.096 108.800 0.007 0.000 2.394 934 G HA2 0.032 3.993 3.960 0.003 0.000 0.215 934 G HA3 0.032 3.993 3.960 0.003 0.000 0.215 934 G C 0.615 175.552 174.900 0.062 0.000 1.165 934 G CA 1.001 46.128 45.100 0.045 0.000 0.784 934 G HN 0.819 nan 8.290 nan 0.000 0.535 935 S N -2.165 113.558 115.700 0.039 0.000 2.535 935 S HA 0.494 4.966 4.470 0.003 0.000 0.272 935 S C 1.138 175.660 174.600 -0.129 0.000 1.149 935 S CA 0.538 58.719 58.200 -0.032 0.000 0.888 935 S CB 1.204 64.487 63.200 0.137 0.000 1.110 935 S HN 0.510 nan 8.310 nan 0.000 0.463 936 G N 2.024 110.654 108.800 -0.283 0.000 2.517 936 G HA2 -0.142 3.819 3.960 0.003 0.000 0.222 936 G HA3 -0.142 3.819 3.960 0.003 0.000 0.222 936 G C 1.072 175.929 174.900 -0.072 0.000 1.109 936 G CA 0.814 45.748 45.100 -0.277 0.000 0.746 936 G HN 0.767 nan 8.290 nan 0.000 0.576 937 F N 0.696 120.467 119.950 -0.298 0.000 2.365 937 F HA -0.047 4.482 4.527 0.002 0.000 0.300 937 F C 1.994 177.721 175.800 -0.122 0.000 1.090 937 F CA 0.280 58.114 58.000 -0.277 0.000 1.408 937 F CB 0.165 38.831 39.000 -0.557 0.000 1.060 937 F HN 0.125 nan 8.300 nan 0.000 0.534 938 D N 0.756 121.222 120.400 0.110 0.000 2.347 938 D HA 0.037 4.679 4.640 0.003 0.000 0.215 938 D C 0.823 177.121 176.300 -0.003 0.000 0.976 938 D CA 0.464 54.504 54.000 0.066 0.000 0.884 938 D CB -0.018 40.812 40.800 0.051 0.000 0.915 938 D HN 0.194 nan 8.370 nan 0.000 0.526 939 L N 1.762 122.950 121.223 -0.057 0.000 2.461 939 L HA 0.147 4.488 4.340 0.003 0.000 0.272 939 L C -1.993 174.910 176.870 0.055 0.000 1.197 939 L CA -1.549 53.246 54.840 -0.075 0.000 0.836 939 L CB -0.107 41.776 42.059 -0.293 0.000 1.105 939 L HN -0.244 nan 8.230 nan 0.000 0.477 940 P HA 0.043 nan 4.420 nan 0.000 0.271 940 P C -0.948 176.470 177.300 0.196 0.000 1.216 940 P CA -0.380 62.792 63.100 0.119 0.000 0.776 940 P CB 0.382 32.140 31.700 0.096 0.000 0.881 941 D N 2.292 122.766 120.400 0.123 0.000 2.506 941 D HA 0.023 4.665 4.640 0.003 0.000 0.234 941 D C 0.237 176.581 176.300 0.073 0.000 1.143 941 D CA 1.018 55.086 54.000 0.112 0.000 0.871 941 D CB 0.723 41.556 40.800 0.054 0.000 1.190 941 D HN 0.321 nan 8.370 nan 0.000 0.459 942 K N 1.266 121.686 120.400 0.034 0.000 2.562 942 K HA 0.205 4.526 4.320 0.003 0.000 0.267 942 K C -1.405 175.177 176.600 -0.030 0.000 0.938 942 K CA -0.652 55.598 56.287 -0.061 0.000 0.840 942 K CB 1.675 33.989 32.500 -0.310 0.000 1.390 942 K HN 0.299 nan 8.250 nan 0.000 0.428 943 N N 0.629 119.256 118.700 -0.121 0.000 2.492 943 N HA 0.232 4.974 4.740 0.003 0.000 0.289 943 N C -0.788 174.383 175.510 -0.566 0.000 1.133 943 N CA -0.672 52.208 53.050 -0.283 0.000 0.961 943 N CB 1.514 39.890 38.487 -0.185 0.000 1.186 943 N HN 0.431 nan 8.380 nan 0.000 0.493 944 C N 3.780 122.543 119.300 -0.896 0.000 2.662 944 C HA 0.111 4.572 4.460 0.003 0.000 0.402 944 C C -0.878 173.887 174.990 -0.376 0.000 1.397 944 C CA -1.538 56.939 59.018 -0.901 0.000 1.575 944 C CB -0.528 26.818 27.740 -0.656 0.000 2.406 944 C HN 0.673 nan 8.230 nan 0.000 0.609 945 P HA -0.099 nan 4.420 nan 0.000 0.240 945 P C 0.933 178.128 177.300 -0.175 0.000 1.186 945 P CA 1.149 64.164 63.100 -0.142 0.000 0.755 945 P CB -0.048 31.613 31.700 -0.065 0.000 0.870 946 R N -0.475 119.894 120.500 -0.219 0.000 2.207 946 R HA 0.070 4.412 4.340 0.003 0.000 0.184 946 R C 2.135 178.355 176.300 -0.135 0.000 1.280 946 R CA 0.920 56.909 56.100 -0.185 0.000 1.166 946 R CB -0.537 29.627 30.300 -0.227 0.000 1.116 946 R HN 0.239 nan 8.270 nan 0.000 0.494 947 C N -0.225 118.993 119.300 -0.137 0.000 2.626 947 C HA 0.431 4.893 4.460 0.003 0.000 0.266 947 C C 1.483 176.405 174.990 -0.113 0.000 1.317 947 C CA 0.233 59.188 59.018 -0.104 0.000 1.716 947 C CB -0.279 27.410 27.740 -0.084 0.000 1.819 947 C HN 0.823 nan 8.230 nan 0.000 0.578 948 G N 1.099 109.810 108.800 -0.148 0.000 2.253 948 G HA2 -0.231 3.731 3.960 0.003 0.000 0.251 948 G HA3 -0.231 3.731 3.960 0.003 0.000 0.251 948 G C 0.223 175.030 174.900 -0.156 0.000 0.998 948 G CA 0.763 45.780 45.100 -0.139 0.000 0.621 948 G HN 1.037 nan 8.290 nan 0.000 0.524 949 T N -0.776 113.676 114.554 -0.170 0.000 2.899 949 T HA 0.538 4.890 4.350 0.003 0.000 0.295 949 T C 0.271 174.853 174.700 -0.196 0.000 1.033 949 T CA 0.155 62.165 62.100 -0.149 0.000 1.084 949 T CB 2.032 70.833 68.868 -0.112 0.000 0.979 949 T HN 0.525 nan 8.240 nan 0.000 0.532 950 K N 1.527 121.855 120.400 -0.120 0.000 2.436 950 K HA 0.079 4.400 4.320 0.003 0.000 0.282 950 K C -0.746 175.835 176.600 -0.032 0.000 1.044 950 K CA -0.170 56.068 56.287 -0.082 0.000 1.028 950 K CB -0.377 32.101 32.500 -0.036 0.000 0.919 950 K HN 0.504 nan 8.250 nan 0.000 0.474 951 Y N 3.330 123.604 120.300 -0.043 0.000 2.652 951 Y HA 0.033 4.585 4.550 0.003 0.000 0.344 951 Y C 0.663 176.589 175.900 0.043 0.000 1.254 951 Y CA 0.462 58.563 58.100 0.002 0.000 1.480 951 Y CB 0.551 38.988 38.460 -0.038 0.000 1.345 951 Y HN 0.495 nan 8.280 nan 0.000 0.617 952 K N 2.549 123.126 120.400 0.295 0.000 2.110 952 K HA 0.406 4.728 4.320 0.003 0.000 0.263 952 K C -1.112 175.552 176.600 0.108 0.000 0.975 952 K CA -0.696 55.671 56.287 0.133 0.000 0.895 952 K CB 0.798 33.340 32.500 0.070 0.000 1.060 952 K HN 0.461 nan 8.250 nan 0.000 0.448 953 K N 1.782 122.188 120.400 0.011 0.000 2.316 953 K HA 0.559 4.881 4.320 0.003 0.000 0.251 953 K C -1.062 175.482 176.600 -0.093 0.000 0.934 953 K CA -1.079 55.150 56.287 -0.097 0.000 0.802 953 K CB 1.901 34.367 32.500 -0.057 0.000 1.171 953 K HN 0.444 nan 8.250 nan 0.000 0.426 954 D N -0.411 119.757 120.400 -0.386 0.000 2.764 954 D HA 0.462 5.103 4.640 0.003 0.000 0.293 954 D C -1.349 174.455 176.300 -0.826 0.000 1.287 954 D CA 0.517 54.261 54.000 -0.427 0.000 0.768 954 D CB 2.006 42.681 40.800 -0.208 0.000 1.288 954 D HN 0.696 nan 8.370 nan 0.000 0.426 955 G N 0.817 109.206 108.800 -0.685 0.000 3.421 955 G HA2 -0.048 3.914 3.960 0.003 0.000 0.686 955 G HA3 -0.048 3.914 3.960 0.003 0.000 0.686 955 G C -0.192 174.366 174.900 -0.570 0.000 1.056 955 G CA -0.325 44.547 45.100 -0.380 0.000 0.891 955 G HN 0.475 nan 8.290 nan 0.000 0.514 956 H N 1.428 120.442 119.070 -0.094 0.000 2.672 956 H HA 0.201 4.759 4.556 0.003 0.000 0.277 956 H C 0.936 176.268 175.328 0.006 0.000 1.074 956 H CA 0.441 56.439 56.048 -0.082 0.000 1.173 956 H CB 0.844 30.552 29.762 -0.090 0.000 1.558 956 H HN 0.776 nan 8.280 nan 0.000 0.539 957 D N 1.212 121.668 120.400 0.094 0.000 2.828 957 D HA -0.163 4.479 4.640 0.003 0.000 0.241 957 D C -0.679 175.684 176.300 0.106 0.000 1.142 957 D CA 0.276 54.330 54.000 0.091 0.000 0.755 957 D CB -1.588 39.261 40.800 0.082 0.000 1.014 957 D HN 0.429 nan 8.370 nan 0.000 0.420 958 I N 1.127 121.767 120.570 0.117 0.000 2.378 958 I HA 0.411 4.583 4.170 0.003 0.000 0.291 958 I C -1.878 174.313 176.117 0.124 0.000 0.992 958 I CA -2.036 59.337 61.300 0.121 0.000 1.154 958 I CB 1.919 39.998 38.000 0.131 0.000 1.315 958 I HN -0.067 nan 8.210 nan 0.000 0.448 959 P HA 0.030 nan 4.420 nan 0.000 0.276 959 P C 0.439 177.832 177.300 0.155 0.000 1.230 959 P CA -0.212 62.966 63.100 0.130 0.000 0.776 959 P CB 0.783 32.557 31.700 0.124 0.000 0.888 960 F N 3.483 123.434 119.950 0.001 0.000 2.202 960 F HA -0.175 4.354 4.527 0.003 0.000 0.301 960 F C 1.567 177.364 175.800 -0.005 0.000 1.082 960 F CA 1.707 59.711 58.000 0.008 0.000 1.313 960 F CB -0.388 38.596 39.000 -0.026 0.000 1.024 960 F HN 0.260 nan 8.300 nan 0.000 0.495 961 E N -0.420 119.632 120.200 -0.248 0.000 2.268 961 E HA -0.126 4.225 4.350 0.003 0.000 0.195 961 E C 2.082 178.560 176.600 -0.203 0.000 0.995 961 E CA 1.424 57.512 56.400 -0.519 0.000 0.836 961 E CB -0.567 28.651 29.700 -0.804 0.000 0.763 961 E HN 0.322 nan 8.360 nan 0.000 0.491 962 T N 0.265 114.822 114.554 0.005 0.000 2.849 962 T HA -0.159 4.193 4.350 0.003 0.000 0.270 962 T C 1.322 176.091 174.700 0.115 0.000 1.066 962 T CA 0.981 63.162 62.100 0.136 0.000 1.130 962 T CB -0.246 68.691 68.868 0.115 0.000 0.864 962 T HN 0.253 nan 8.240 nan 0.000 0.481 963 F N 0.366 120.185 119.950 -0.218 0.000 2.104 963 F HA 0.271 4.799 4.527 0.002 0.000 0.288 963 F C 1.702 177.308 175.800 -0.323 0.000 1.107 963 F CA 0.888 58.735 58.000 -0.255 0.000 1.208 963 F CB 0.119 38.919 39.000 -0.333 0.000 1.033 963 F HN -0.057 nan 8.300 nan 0.000 0.478 964 L N -0.054 120.736 121.223 -0.721 0.000 2.664 964 L HA 0.340 4.681 4.340 0.003 0.000 0.233 964 L C 0.823 177.266 176.870 -0.711 0.000 1.113 964 L CA 0.345 54.703 54.840 -0.803 0.000 0.896 964 L CB -0.010 41.615 42.059 -0.724 0.000 1.163 964 L HN 0.557 nan 8.230 nan 0.000 0.497 965 G N -0.269 108.003 108.800 -0.880 0.000 2.642 965 G HA2 -0.331 3.631 3.960 0.003 0.000 0.231 965 G HA3 -0.331 3.631 3.960 0.003 0.000 0.231 965 G C -0.035 174.225 174.900 -1.067 0.000 1.338 965 G CA 0.204 44.350 45.100 -1.591 0.000 0.883 965 G HN 0.010 nan 8.290 nan 0.000 0.570 966 F N 0.641 120.145 119.950 -0.743 0.000 2.419 966 F HA 0.235 4.764 4.527 0.002 0.000 0.283 966 F C 2.730 178.411 175.800 -0.198 0.000 1.044 966 F CA 1.217 59.022 58.000 -0.324 0.000 1.376 966 F CB -0.129 38.742 39.000 -0.215 0.000 1.131 966 F HN 0.307 nan 8.300 nan 0.000 0.585 967 K N 0.275 120.657 120.400 -0.029 0.000 2.211 967 K HA -0.032 4.289 4.320 0.003 0.000 0.204 967 K C 1.692 178.201 176.600 -0.152 0.000 1.047 967 K CA 1.203 57.476 56.287 -0.024 0.000 0.935 967 K CB -0.965 31.520 32.500 -0.024 0.000 0.728 967 K HN 0.454 nan 8.250 nan 0.000 0.452 968 G N 0.926 109.496 108.800 -0.385 0.000 2.155 968 G HA2 -0.363 3.599 3.960 0.003 0.000 0.257 968 G HA3 -0.363 3.599 3.960 0.003 0.000 0.257 968 G C 0.444 174.926 174.900 -0.698 0.000 0.983 968 G CA 0.918 45.478 45.100 -0.901 0.000 0.676 968 G HN 0.574 nan 8.290 nan 0.000 0.528 969 D N 0.120 120.334 120.400 -0.311 0.000 2.434 969 D HA 0.510 5.151 4.640 0.003 0.000 0.232 969 D C 0.713 176.983 176.300 -0.049 0.000 1.166 969 D CA 1.021 54.945 54.000 -0.127 0.000 0.830 969 D CB 0.008 40.787 40.800 -0.035 0.000 0.960 969 D HN 0.756 nan 8.370 nan 0.000 0.497 970 K N 0.104 120.448 120.400 -0.093 0.000 2.156 970 K HA 0.535 4.857 4.320 0.003 0.000 0.254 970 K C -0.798 175.798 176.600 -0.007 0.000 0.950 970 K CA -0.589 55.703 56.287 0.007 0.000 0.849 970 K CB 2.390 34.932 32.500 0.070 0.000 1.100 970 K HN 0.091 nan 8.250 nan 0.000 0.434 971 V N 5.289 125.266 119.914 0.105 0.000 2.275 971 V HA 0.470 4.591 4.120 0.003 0.000 0.272 971 V C -2.434 173.726 176.094 0.111 0.000 1.028 971 V CA -1.831 60.565 62.300 0.161 0.000 0.810 971 V CB 0.818 32.736 31.823 0.158 0.000 1.043 971 V HN 0.804 nan 8.190 nan 0.000 0.453 972 P HA 0.540 nan 4.420 nan 0.000 0.297 972 P C -1.234 176.165 177.300 0.165 0.000 1.307 972 P CA -0.090 62.984 63.100 -0.043 0.000 0.773 972 P CB 1.376 32.750 31.700 -0.544 0.000 1.265 973 D N -1.525 118.992 120.400 0.195 0.000 2.727 973 D HA 0.492 5.133 4.640 0.003 0.000 0.264 973 D C -0.594 175.890 176.300 0.307 0.000 1.101 973 D CA -0.779 53.354 54.000 0.222 0.000 1.122 973 D CB 0.458 41.311 40.800 0.088 0.000 1.390 973 D HN 0.210 nan 8.370 nan 0.000 0.606 974 I N 0.093 120.787 120.570 0.206 0.000 2.406 974 I HA 0.264 4.436 4.170 0.003 0.000 0.290 974 I C -0.766 175.412 176.117 0.101 0.000 0.999 974 I CA -0.815 60.573 61.300 0.146 0.000 1.124 974 I CB 1.608 39.650 38.000 0.070 0.000 1.289 974 I HN 0.137 nan 8.210 nan 0.000 0.441 975 D N 7.427 127.878 120.400 0.085 0.000 2.256 975 D HA 0.482 5.123 4.640 0.003 0.000 0.240 975 D C -0.872 175.457 176.300 0.048 0.000 1.062 975 D CA -0.438 53.612 54.000 0.084 0.000 0.832 975 D CB 2.783 43.639 40.800 0.094 0.000 1.135 975 D HN 0.032 nan 8.370 nan 0.000 0.484 976 L N 2.452 123.714 121.223 0.065 0.000 2.386 976 L HA 0.277 4.618 4.340 0.003 0.000 0.271 976 L C -0.174 176.670 176.870 -0.042 0.000 0.993 976 L CA -0.739 54.066 54.840 -0.057 0.000 0.819 976 L CB 1.592 43.584 42.059 -0.112 0.000 1.294 976 L HN 0.199 nan 8.230 nan 0.000 0.414 977 N N 2.991 121.593 118.700 -0.162 0.000 2.558 977 N HA 0.355 5.096 4.740 0.003 0.000 0.233 977 N C -0.655 174.750 175.510 -0.175 0.000 1.038 977 N CA -0.007 52.992 53.050 -0.084 0.000 0.934 977 N CB 0.227 38.617 38.487 -0.162 0.000 1.175 977 N HN 0.249 nan 8.380 nan 0.000 0.512 978 F N -0.007 119.969 119.950 0.044 0.000 2.370 978 F HA 0.259 4.788 4.527 0.002 0.000 0.324 978 F C 1.603 177.439 175.800 0.060 0.000 1.116 978 F CA -0.687 57.341 58.000 0.047 0.000 1.123 978 F CB 0.748 39.797 39.000 0.081 0.000 1.238 978 F HN 0.159 nan 8.300 nan 0.000 0.536 979 S N 1.006 116.854 115.700 0.247 0.000 2.563 979 S HA 0.138 4.610 4.470 0.003 0.000 0.284 979 S C 1.374 176.053 174.600 0.132 0.000 1.331 979 S CA -0.111 58.199 58.200 0.183 0.000 1.047 979 S CB 0.833 64.176 63.200 0.238 0.000 0.859 979 S HN 0.854 nan 8.310 nan 0.000 0.514 980 G N 2.540 111.396 108.800 0.093 0.000 2.422 980 G HA2 -0.150 3.811 3.960 0.003 0.000 0.218 980 G HA3 -0.150 3.811 3.960 0.003 0.000 0.218 980 G C 1.177 176.084 174.900 0.011 0.000 1.146 980 G CA 0.813 45.940 45.100 0.043 0.000 0.769 980 G HN 0.889 nan 8.290 nan 0.000 0.547 981 E N -0.991 119.228 120.200 0.031 0.000 2.160 981 E HA -0.176 4.176 4.350 0.003 0.000 0.195 981 E C 1.946 178.466 176.600 -0.133 0.000 0.991 981 E CA 1.065 57.465 56.400 -0.000 0.000 0.810 981 E CB -0.161 29.614 29.700 0.125 0.000 0.742 981 E HN 0.659 nan 8.360 nan 0.000 0.466 982 Y N 0.720 120.796 120.300 -0.374 0.000 2.507 982 Y HA 0.014 4.565 4.550 0.002 0.000 0.263 982 Y C 2.369 178.070 175.900 -0.332 0.000 1.093 982 Y CA 0.420 58.217 58.100 -0.506 0.000 1.285 982 Y CB 0.354 38.348 38.460 -0.778 0.000 1.115 982 Y HN -0.094 nan 8.280 nan 0.000 0.533 983 Q N 0.853 120.541 119.800 -0.188 0.000 2.118 983 Q HA -0.229 4.113 4.340 0.003 0.000 0.211 983 Q C -0.878 174.795 176.000 -0.546 0.000 0.998 983 Q CA 2.512 58.104 55.803 -0.352 0.000 0.872 983 Q CB -0.931 27.662 28.738 -0.242 0.000 0.925 983 Q HN 0.317 nan 8.270 nan 0.000 0.414 984 P HA -0.167 nan 4.420 nan 0.000 0.216 984 P C 0.641 177.786 177.300 -0.258 0.000 1.153 984 P CA 1.590 64.565 63.100 -0.209 0.000 0.858 984 P CB -0.151 31.481 31.700 -0.112 0.000 0.789 985 R N -0.704 119.480 120.500 -0.526 0.000 2.115 985 R HA 0.016 4.357 4.340 0.003 0.000 0.230 985 R C 2.284 178.297 176.300 -0.477 0.000 1.111 985 R CA 1.328 57.081 56.100 -0.579 0.000 0.976 985 R CB -0.859 28.846 30.300 -0.991 0.000 0.870 985 R HN 0.144 nan 8.270 nan 0.000 0.445 986 A N 0.260 122.695 122.820 -0.641 0.000 1.930 986 A HA -0.158 4.164 4.320 0.003 0.000 0.217 986 A C 1.616 179.123 177.584 -0.128 0.000 1.175 986 A CA 1.200 52.988 52.037 -0.415 0.000 0.627 986 A CB -0.629 17.730 19.000 -1.069 0.000 0.815 986 A HN 0.385 nan 8.150 nan 0.000 0.443 987 H N -0.360 118.600 119.070 -0.183 0.000 2.290 987 H HA -0.127 4.430 4.556 0.002 0.000 0.298 987 H C 1.909 177.396 175.328 0.265 0.000 1.087 987 H CA 1.174 57.212 56.048 -0.017 0.000 1.291 987 H CB 0.047 29.751 29.762 -0.097 0.000 1.369 987 H HN 0.400 nan 8.280 nan 0.000 0.492 988 N N 0.270 119.186 118.700 0.360 0.000 2.289 988 N HA -0.175 4.566 4.740 0.003 0.000 0.184 988 N C 1.574 177.214 175.510 0.215 0.000 1.016 988 N CA 0.780 53.989 53.050 0.264 0.000 0.872 988 N CB -0.374 38.181 38.487 0.113 0.000 0.973 988 N HN 0.403 nan 8.380 nan 0.000 0.433 989 Y N 1.770 122.099 120.300 0.048 0.000 2.421 989 Y HA -0.113 4.438 4.550 0.002 0.000 0.292 989 Y C 2.376 178.315 175.900 0.064 0.000 1.136 989 Y CA 1.394 59.511 58.100 0.029 0.000 1.255 989 Y CB -0.677 37.788 38.460 0.009 0.000 0.991 989 Y HN 0.149 nan 8.280 nan 0.000 0.552 990 T N -2.751 111.861 114.554 0.096 0.000 2.995 990 T HA -0.120 4.231 4.350 0.003 0.000 0.269 990 T C 1.833 176.614 174.700 0.134 0.000 1.091 990 T CA 1.254 63.413 62.100 0.099 0.000 1.128 990 T CB -0.234 68.799 68.868 0.276 0.000 0.891 990 T HN 0.285 nan 8.240 nan 0.000 0.492 991 K N 0.509 120.970 120.400 0.101 0.000 2.057 991 K HA 0.039 4.361 4.320 0.003 0.000 0.206 991 K C 2.298 178.871 176.600 -0.044 0.000 1.050 991 K CA 1.171 57.450 56.287 -0.013 0.000 0.935 991 K CB -0.342 32.066 32.500 -0.152 0.000 0.715 991 K HN 0.216 nan 8.250 nan 0.000 0.439 992 V N 1.824 121.703 119.914 -0.058 0.000 2.427 992 V HA -0.211 3.910 4.120 0.003 0.000 0.248 992 V C 2.133 178.129 176.094 -0.164 0.000 1.051 992 V CA 1.480 63.736 62.300 -0.074 0.000 1.048 992 V CB -0.339 31.490 31.823 0.009 0.000 0.666 992 V HN 0.295 nan 8.190 nan 0.000 0.456 993 L N -1.922 119.115 121.223 -0.310 0.000 2.131 993 L HA -0.015 4.326 4.340 0.003 0.000 0.206 993 L C 2.111 178.735 176.870 -0.410 0.000 1.087 993 L CA 1.554 56.125 54.840 -0.448 0.000 0.767 993 L CB -0.289 41.349 42.059 -0.703 0.000 0.917 993 L HN 0.302 nan 8.230 nan 0.000 0.441 994 F N -0.460 119.426 119.950 -0.106 0.000 2.717 994 F HA 0.372 4.900 4.527 0.003 0.000 0.297 994 F C 1.191 176.948 175.800 -0.072 0.000 1.113 994 F CA 0.262 58.218 58.000 -0.073 0.000 1.319 994 F CB 0.362 39.321 39.000 -0.069 0.000 1.097 994 F HN 0.051 nan 8.300 nan 0.000 0.595 995 G N 0.841 109.683 108.800 0.071 0.000 2.895 995 G HA2 -0.199 3.762 3.960 0.003 0.000 0.686 995 G HA3 -0.199 3.762 3.960 0.003 0.000 0.686 995 G C 0.416 175.289 174.900 -0.045 0.000 1.108 995 G CA -0.207 44.898 45.100 0.008 0.000 0.761 995 G HN 0.221 nan 8.290 nan 0.000 0.611 996 E N 0.016 120.158 120.200 -0.096 0.000 2.164 996 E HA -0.231 4.120 4.350 0.003 0.000 0.206 996 E C 1.346 177.804 176.600 -0.236 0.000 1.032 996 E CA 1.914 58.207 56.400 -0.178 0.000 0.832 996 E CB 0.078 29.693 29.700 -0.142 0.000 0.742 996 E HN 0.529 nan 8.360 nan 0.000 0.460 997 D N -0.908 119.403 120.400 -0.148 0.000 2.340 997 D HA 0.040 4.682 4.640 0.003 0.000 0.217 997 D C 0.395 176.624 176.300 -0.118 0.000 1.081 997 D CA 0.107 54.030 54.000 -0.128 0.000 0.842 997 D CB 0.138 40.941 40.800 0.005 0.000 0.934 997 D HN 0.156 nan 8.370 nan 0.000 0.511 998 N N 0.539 119.149 118.700 -0.150 0.000 2.203 998 N HA 0.049 4.791 4.740 0.003 0.000 0.207 998 N C 0.188 175.557 175.510 -0.235 0.000 1.130 998 N CA 0.125 53.108 53.050 -0.112 0.000 0.861 998 N CB 2.140 40.610 38.487 -0.029 0.000 1.005 998 N HN 0.074 nan 8.380 nan 0.000 0.507 999 V N -2.040 117.644 119.914 -0.385 0.000 2.876 999 V HA 0.677 4.798 4.120 0.003 0.000 0.312 999 V C -1.516 174.248 176.094 -0.550 0.000 1.085 999 V CA -0.888 61.237 62.300 -0.292 0.000 0.945 999 V CB 1.728 33.534 31.823 -0.029 0.000 1.017 999 V HN -0.059 nan 8.190 nan 0.000 0.428 1000 Y N 0.763 121.096 120.300 0.055 0.000 2.534 1000 Y HA 0.747 5.298 4.550 0.002 0.000 0.345 1000 Y C -0.020 175.813 175.900 -0.111 0.000 1.031 1000 Y CA -0.840 57.316 58.100 0.095 0.000 1.022 1000 Y CB 2.096 40.540 38.460 -0.027 0.000 1.292 1000 Y HN 0.871 nan 8.280 nan 0.000 0.459 1001 R N 1.942 122.424 120.500 -0.030 0.000 2.438 1001 R HA 0.673 5.014 4.340 0.003 0.000 0.287 1001 R C -0.413 175.811 176.300 -0.126 0.000 1.077 1001 R CA -0.098 55.797 56.100 -0.342 0.000 1.034 1001 R CB 0.494 30.513 30.300 -0.470 0.000 0.993 1001 R HN 0.795 nan 8.270 nan 0.000 0.459 1002 A N 3.461 126.170 122.820 -0.186 0.000 2.520 1002 A HA 0.381 4.703 4.320 0.003 0.000 0.245 1002 A C 0.426 178.032 177.584 0.037 0.000 1.072 1002 A CA 0.392 52.389 52.037 -0.067 0.000 0.761 1002 A CB -0.022 18.865 19.000 -0.187 0.000 1.004 1002 A HN 0.857 nan 8.150 nan 0.000 0.499 1003 G N 1.271 110.104 108.800 0.055 0.000 2.425 1003 G HA2 0.549 4.510 3.960 0.003 0.000 0.302 1003 G HA3 0.549 4.510 3.960 0.003 0.000 0.302 1003 G C 0.137 175.086 174.900 0.083 0.000 1.159 1003 G CA 0.317 45.449 45.100 0.054 0.000 0.865 1003 G HN 1.172 nan 8.290 nan 0.000 0.515 1004 T N -1.465 113.127 114.554 0.064 0.000 2.940 1004 T HA 0.668 5.019 4.350 0.003 0.000 0.288 1004 T C -0.406 174.309 174.700 0.026 0.000 1.033 1004 T CA -0.700 61.435 62.100 0.059 0.000 1.033 1004 T CB 1.669 70.565 68.868 0.047 0.000 1.079 1004 T HN 0.217 nan 8.240 nan 0.000 0.496 1005 I N 1.808 122.391 120.570 0.022 0.000 2.330 1005 I HA 0.489 4.661 4.170 0.003 0.000 0.289 1005 I C 0.909 177.039 176.117 0.022 0.000 1.001 1005 I CA -0.413 60.894 61.300 0.011 0.000 1.193 1005 I CB 1.446 39.446 38.000 -0.002 0.000 1.345 1005 I HN 0.966 nan 8.210 nan 0.000 0.461 1006 G N 4.509 113.327 108.800 0.030 0.000 2.356 1006 G HA2 0.482 4.443 3.960 0.003 0.000 0.300 1006 G HA3 0.482 4.443 3.960 0.003 0.000 0.300 1006 G C 0.096 175.020 174.900 0.041 0.000 1.107 1006 G CA -0.255 44.865 45.100 0.033 0.000 0.960 1006 G HN 0.568 nan 8.290 nan 0.000 0.418 1007 T N -0.920 113.653 114.554 0.030 0.000 2.948 1007 T HA 0.530 4.882 4.350 0.003 0.000 0.285 1007 T C 0.040 174.757 174.700 0.028 0.000 1.019 1007 T CA -0.794 61.327 62.100 0.036 0.000 1.013 1007 T CB 1.744 70.626 68.868 0.023 0.000 1.117 1007 T HN 0.226 nan 8.240 nan 0.000 0.533 1008 V N 2.164 122.099 119.914 0.036 0.000 2.439 1008 V HA 0.528 4.650 4.120 0.003 0.000 0.271 1008 V C 0.889 176.966 176.094 -0.028 0.000 1.040 1008 V CA -0.086 62.214 62.300 0.001 0.000 1.002 1008 V CB -0.566 31.282 31.823 0.041 0.000 1.000 1008 V HN 1.214 nan 8.190 nan 0.000 0.477 1009 A N 3.908 126.701 122.820 -0.045 0.000 2.452 1009 A HA 0.522 4.843 4.320 0.003 0.000 0.285 1009 A C 1.087 178.655 177.584 -0.027 0.000 1.209 1009 A CA -0.441 51.577 52.037 -0.030 0.000 0.940 1009 A CB 0.299 19.288 19.000 -0.018 0.000 1.440 1009 A HN 0.669 nan 8.150 nan 0.000 0.480 1010 D N 0.187 120.602 120.400 0.025 0.000 2.137 1010 D HA -0.174 4.467 4.640 0.003 0.000 0.189 1010 D C 1.713 178.110 176.300 0.160 0.000 0.998 1010 D CA 1.925 56.001 54.000 0.126 0.000 0.839 1010 D CB -0.147 40.746 40.800 0.156 0.000 0.962 1010 D HN 0.535 nan 8.370 nan 0.000 0.446 1011 K N -0.063 120.373 120.400 0.060 0.000 2.044 1011 K HA -0.128 4.193 4.320 0.003 0.000 0.210 1011 K C 2.221 178.797 176.600 -0.040 0.000 1.049 1011 K CA 1.522 57.824 56.287 0.024 0.000 0.927 1011 K CB -0.574 31.913 32.500 -0.022 0.000 0.713 1011 K HN 0.188 nan 8.250 nan 0.000 0.443 1012 T N 1.223 115.687 114.554 -0.151 0.000 2.746 1012 T HA -0.128 4.223 4.350 0.003 0.000 0.267 1012 T C 2.058 176.400 174.700 -0.596 0.000 1.039 1012 T CA 1.387 63.239 62.100 -0.413 0.000 1.142 1012 T CB -0.250 68.344 68.868 -0.455 0.000 0.866 1012 T HN 0.354 nan 8.240 nan 0.000 0.444 1013 A N 0.586 123.212 122.820 -0.323 0.000 1.877 1013 A HA -0.082 4.240 4.320 0.003 0.000 0.216 1013 A C 2.057 179.544 177.584 -0.162 0.000 1.186 1013 A CA 1.400 53.289 52.037 -0.246 0.000 0.620 1013 A CB -1.167 17.721 19.000 -0.187 0.000 0.822 1013 A HN 0.537 nan 8.150 nan 0.000 0.443 1014 Y N 0.290 120.540 120.300 -0.083 0.000 2.151 1014 Y HA -0.172 4.380 4.550 0.002 0.000 0.284 1014 Y C 2.790 178.691 175.900 0.001 0.000 1.166 1014 Y CA 1.230 59.316 58.100 -0.023 0.000 1.163 1014 Y CB -0.870 37.576 38.460 -0.023 0.000 0.974 1014 Y HN 0.345 nan 8.280 nan 0.000 0.511 1015 G N -0.303 108.547 108.800 0.084 0.000 2.459 1015 G HA2 -0.268 3.693 3.960 0.003 0.000 0.217 1015 G HA3 -0.268 3.693 3.960 0.003 0.000 0.217 1015 G C 1.442 176.479 174.900 0.229 0.000 1.183 1015 G CA 1.140 46.294 45.100 0.091 0.000 0.776 1015 G HN 0.255 nan 8.290 nan 0.000 0.552 1016 F N 0.934 120.937 119.950 0.089 0.000 2.091 1016 F HA -0.099 4.430 4.527 0.002 0.000 0.299 1016 F C 2.973 178.831 175.800 0.097 0.000 1.103 1016 F CA 0.449 58.504 58.000 0.092 0.000 1.228 1016 F CB -1.232 37.799 39.000 0.052 0.000 0.984 1016 F HN -0.006 nan 8.300 nan 0.000 0.477 1017 V N -0.027 120.030 119.914 0.237 0.000 2.261 1017 V HA -0.290 3.831 4.120 0.003 0.000 0.246 1017 V C 2.335 178.540 176.094 0.186 0.000 1.047 1017 V CA 1.907 64.293 62.300 0.142 0.000 1.015 1017 V CB -0.769 31.064 31.823 0.018 0.000 0.642 1017 V HN 0.243 nan 8.190 nan 0.000 0.446 1018 K N 0.497 121.002 120.400 0.175 0.000 1.991 1018 K HA -0.187 4.134 4.320 0.003 0.000 0.212 1018 K C 2.366 179.065 176.600 0.165 0.000 1.049 1018 K CA 1.705 58.086 56.287 0.157 0.000 0.932 1018 K CB -0.643 31.944 32.500 0.145 0.000 0.717 1018 K HN 0.441 nan 8.250 nan 0.000 0.441 1019 A N 0.764 123.704 122.820 0.200 0.000 1.958 1019 A HA -0.252 4.069 4.320 0.003 0.000 0.221 1019 A C 2.114 179.824 177.584 0.210 0.000 1.178 1019 A CA 1.769 53.930 52.037 0.207 0.000 0.642 1019 A CB -0.895 18.256 19.000 0.252 0.000 0.816 1019 A HN 0.514 nan 8.150 nan 0.000 0.453 1020 Y N 0.365 120.705 120.300 0.067 0.000 2.200 1020 Y HA -0.019 4.533 4.550 0.003 0.000 0.290 1020 Y C 2.615 178.492 175.900 -0.039 0.000 1.137 1020 Y CA 1.203 59.242 58.100 -0.103 0.000 1.163 1020 Y CB -0.527 37.824 38.460 -0.182 0.000 0.988 1020 Y HN 0.336 nan 8.280 nan 0.000 0.518 1021 A N -0.399 122.479 122.820 0.096 0.000 1.849 1021 A HA -0.274 4.047 4.320 0.003 0.000 0.217 1021 A C 2.478 180.052 177.584 -0.017 0.000 1.202 1021 A CA 2.295 54.340 52.037 0.013 0.000 0.629 1021 A CB -1.701 17.345 19.000 0.076 0.000 0.834 1021 A HN 0.527 nan 8.150 nan 0.000 0.447 1022 S N -0.314 115.402 115.700 0.027 0.000 2.389 1022 S HA -0.283 4.189 4.470 0.003 0.000 0.229 1022 S C 1.749 176.344 174.600 -0.008 0.000 1.048 1022 S CA 2.092 60.306 58.200 0.022 0.000 1.117 1022 S CB -0.741 62.490 63.200 0.052 0.000 1.020 1022 S HN 0.595 nan 8.310 nan 0.000 0.430 1023 D N -0.013 120.384 120.400 -0.005 0.000 2.190 1023 D HA -0.101 4.541 4.640 0.003 0.000 0.200 1023 D C 1.428 177.619 176.300 -0.182 0.000 0.992 1023 D CA 1.153 55.124 54.000 -0.047 0.000 0.854 1023 D CB -0.455 40.374 40.800 0.049 0.000 0.936 1023 D HN 0.621 nan 8.370 nan 0.000 0.462 1024 H N -0.357 118.539 119.070 -0.290 0.000 2.529 1024 H HA 0.118 4.676 4.556 0.002 0.000 0.277 1024 H C -0.013 175.210 175.328 -0.174 0.000 1.004 1024 H CA -0.137 55.731 56.048 -0.299 0.000 1.167 1024 H CB 0.081 29.524 29.762 -0.531 0.000 1.445 1024 H HN 0.041 nan 8.280 nan 0.000 0.554 1025 N N 0.828 119.503 118.700 -0.041 0.000 2.714 1025 N HA -0.187 4.554 4.740 0.003 0.000 0.252 1025 N C -1.389 174.114 175.510 -0.012 0.000 1.014 1025 N CA 0.040 53.076 53.050 -0.024 0.000 0.735 1025 N CB -0.666 37.803 38.487 -0.029 0.000 0.924 1025 N HN 0.090 nan 8.380 nan 0.000 0.540 1026 L N 0.961 122.177 121.223 -0.011 0.000 2.309 1026 L HA 0.336 4.677 4.340 0.003 0.000 0.282 1026 L C 0.406 177.281 176.870 0.007 0.000 1.036 1026 L CA -0.417 54.421 54.840 -0.004 0.000 0.806 1026 L CB 1.250 43.302 42.059 -0.012 0.000 1.220 1026 L HN 0.107 nan 8.230 nan 0.000 0.429 1027 E N 5.271 125.477 120.200 0.009 0.000 2.081 1027 E HA 0.448 4.799 4.350 0.003 0.000 0.276 1027 E C -0.960 175.651 176.600 0.018 0.000 0.950 1027 E CA -0.419 55.990 56.400 0.015 0.000 0.776 1027 E CB 1.645 31.351 29.700 0.011 0.000 1.094 1027 E HN 0.410 nan 8.360 nan 0.000 0.402 1028 L N 2.151 123.391 121.223 0.027 0.000 2.334 1028 L HA 0.495 4.837 4.340 0.003 0.000 0.272 1028 L C 0.787 177.677 176.870 0.033 0.000 1.020 1028 L CA -1.134 53.724 54.840 0.030 0.000 0.812 1028 L CB 1.407 43.488 42.059 0.037 0.000 1.264 1028 L HN 0.253 nan 8.230 nan 0.000 0.439 1029 R N 0.447 120.967 120.500 0.032 0.000 2.643 1029 R HA 0.075 4.416 4.340 0.003 0.000 0.270 1029 R C 1.265 177.596 176.300 0.052 0.000 1.061 1029 R CA 0.468 56.589 56.100 0.034 0.000 1.107 1029 R CB 0.556 30.875 30.300 0.032 0.000 0.999 1029 R HN 0.915 nan 8.270 nan 0.000 0.460 1030 G N 1.798 110.627 108.800 0.047 0.000 2.599 1030 G HA2 -0.414 3.548 3.960 0.003 0.000 0.219 1030 G HA3 -0.414 3.548 3.960 0.003 0.000 0.219 1030 G C 1.390 176.357 174.900 0.112 0.000 1.193 1030 G CA 1.240 46.382 45.100 0.070 0.000 0.778 1030 G HN 0.717 nan 8.290 nan 0.000 0.589 1031 A N 0.471 123.352 122.820 0.102 0.000 1.986 1031 A HA -0.104 4.217 4.320 0.003 0.000 0.220 1031 A C 2.199 179.920 177.584 0.228 0.000 1.171 1031 A CA 2.460 54.598 52.037 0.170 0.000 0.640 1031 A CB -0.364 18.700 19.000 0.107 0.000 0.811 1031 A HN 0.516 nan 8.150 nan 0.000 0.451 1032 E N -0.240 120.034 120.200 0.122 0.000 2.250 1032 E HA 0.048 4.399 4.350 0.003 0.000 0.192 1032 E C 1.618 178.239 176.600 0.035 0.000 0.986 1032 E CA 0.626 57.065 56.400 0.064 0.000 0.849 1032 E CB -0.346 29.374 29.700 0.033 0.000 0.797 1032 E HN 0.615 nan 8.360 nan 0.000 0.482 1033 I N 1.034 121.646 120.570 0.069 0.000 2.226 1033 I HA -0.240 3.931 4.170 0.003 0.000 0.245 1033 I C 1.579 177.696 176.117 -0.001 0.000 1.100 1033 I CA 1.263 62.598 61.300 0.058 0.000 1.374 1033 I CB -0.259 37.824 38.000 0.137 0.000 1.057 1033 I HN 0.110 nan 8.210 nan 0.000 0.413 1034 D N 0.933 121.407 120.400 0.123 0.000 2.104 1034 D HA -0.226 4.416 4.640 0.003 0.000 0.194 1034 D C 2.201 178.455 176.300 -0.077 0.000 0.994 1034 D CA 1.648 55.730 54.000 0.136 0.000 0.830 1034 D CB -0.277 40.744 40.800 0.368 0.000 0.959 1034 D HN 0.388 nan 8.370 nan 0.000 0.452 1035 R N 0.813 121.218 120.500 -0.159 0.000 2.119 1035 R HA 0.042 4.384 4.340 0.003 0.000 0.222 1035 R C 2.307 178.485 176.300 -0.203 0.000 1.088 1035 R CA 0.780 56.577 56.100 -0.506 0.000 0.984 1035 R CB -1.051 28.634 30.300 -1.025 0.000 0.884 1035 R HN 0.171 nan 8.270 nan 0.000 0.447 1036 L N 0.617 121.786 121.223 -0.090 0.000 2.046 1036 L HA -0.037 4.305 4.340 0.003 0.000 0.208 1036 L C 2.745 179.579 176.870 -0.059 0.000 1.077 1036 L CA 1.412 56.271 54.840 0.031 0.000 0.747 1036 L CB -0.768 41.261 42.059 -0.051 0.000 0.896 1036 L HN 0.444 nan 8.230 nan 0.000 0.432 1037 A N 0.305 122.971 122.820 -0.256 0.000 1.851 1037 A HA -0.256 4.066 4.320 0.003 0.000 0.216 1037 A C 2.499 179.907 177.584 -0.293 0.000 1.195 1037 A CA 2.027 53.810 52.037 -0.424 0.000 0.622 1037 A CB -0.969 17.376 19.000 -1.091 0.000 0.831 1037 A HN 0.407 nan 8.150 nan 0.000 0.444 1038 A N -0.857 121.804 122.820 -0.265 0.000 2.076 1038 A HA 0.109 4.431 4.320 0.003 0.000 0.220 1038 A C 2.202 179.613 177.584 -0.289 0.000 1.160 1038 A CA 1.841 53.753 52.037 -0.208 0.000 0.653 1038 A CB -1.113 17.787 19.000 -0.166 0.000 0.801 1038 A HN 0.820 nan 8.150 nan 0.000 0.455 1039 G N -1.880 106.673 108.800 -0.412 0.000 2.623 1039 G HA2 -0.039 3.922 3.960 0.003 0.000 0.214 1039 G HA3 -0.039 3.922 3.960 0.003 0.000 0.214 1039 G C 1.224 175.806 174.900 -0.530 0.000 1.138 1039 G CA 1.145 45.690 45.100 -0.925 0.000 0.794 1039 G HN 0.539 nan 8.290 nan 0.000 0.535 1040 C N 1.145 120.311 119.300 -0.222 0.000 2.590 1040 C HA 0.204 4.665 4.460 0.003 0.000 0.272 1040 C C 1.781 176.739 174.990 -0.053 0.000 1.338 1040 C CA 0.058 59.035 59.018 -0.069 0.000 1.746 1040 C CB -0.781 26.982 27.740 0.038 0.000 2.020 1040 C HN 0.473 nan 8.230 nan 0.000 0.531 1041 T N -0.871 113.627 114.554 -0.092 0.000 2.903 1041 T HA 0.413 4.764 4.350 0.003 0.000 0.314 1041 T C 1.346 176.023 174.700 -0.039 0.000 1.078 1041 T CA 0.769 62.835 62.100 -0.057 0.000 1.114 1041 T CB 0.614 69.448 68.868 -0.057 0.000 0.987 1041 T HN 1.029 nan 8.240 nan 0.000 0.548 1042 G N 0.422 109.214 108.800 -0.014 0.000 2.225 1042 G HA2 -0.247 3.715 3.960 0.003 0.000 0.254 1042 G HA3 -0.247 3.715 3.960 0.003 0.000 0.254 1042 G C 0.134 175.046 174.900 0.021 0.000 0.988 1042 G CA -0.086 45.012 45.100 -0.002 0.000 0.625 1042 G HN 1.061 nan 8.290 nan 0.000 0.527 1043 V N 2.343 122.278 119.914 0.036 0.000 2.614 1043 V HA 0.337 4.459 4.120 0.003 0.000 0.291 1043 V C 1.122 177.263 176.094 0.079 0.000 1.049 1043 V CA -0.117 62.222 62.300 0.066 0.000 1.038 1043 V CB 1.629 33.504 31.823 0.086 0.000 0.980 1043 V HN 0.434 nan 8.190 nan 0.000 0.481 1044 K N 4.190 124.640 120.400 0.084 0.000 2.412 1044 K HA 0.159 4.481 4.320 0.003 0.000 0.281 1044 K C 0.786 177.448 176.600 0.105 0.000 1.027 1044 K CA -0.112 56.225 56.287 0.084 0.000 0.989 1044 K CB 0.602 33.151 32.500 0.082 0.000 0.935 1044 K HN 0.739 nan 8.250 nan 0.000 0.475 1045 R N 1.987 122.548 120.500 0.101 0.000 2.243 1045 R HA 0.061 4.402 4.340 0.003 0.000 0.193 1045 R C 0.146 176.510 176.300 0.108 0.000 0.933 1045 R CA 0.838 57.010 56.100 0.120 0.000 1.105 1045 R CB 0.328 30.715 30.300 0.145 0.000 1.169 1045 R HN 0.783 nan 8.270 nan 0.000 0.599 1046 T N -2.142 112.464 114.554 0.088 0.000 2.654 1046 T HA 0.542 4.894 4.350 0.003 0.000 0.289 1046 T C -0.368 174.371 174.700 0.064 0.000 1.062 1046 T CA -0.253 61.896 62.100 0.082 0.000 1.041 1046 T CB 1.558 70.469 68.868 0.072 0.000 1.417 1046 T HN 0.213 nan 8.240 nan 0.000 0.510 1047 T N -2.685 111.905 114.554 0.060 0.000 2.907 1047 T HA 0.900 5.251 4.350 0.003 0.000 0.290 1047 T C 0.213 174.937 174.700 0.041 0.000 1.066 1047 T CA -0.272 61.852 62.100 0.040 0.000 1.012 1047 T CB 1.493 70.381 68.868 0.033 0.000 1.184 1047 T HN 1.420 nan 8.240 nan 0.000 0.522 1048 G N -0.300 108.521 108.800 0.035 0.000 2.753 1048 G HA2 0.586 4.547 3.960 0.003 0.000 0.303 1048 G HA3 0.586 4.547 3.960 0.003 0.000 0.303 1048 G C -1.964 172.960 174.900 0.039 0.000 1.242 1048 G CA -0.899 44.223 45.100 0.036 0.000 0.810 1048 G HN 0.803 nan 8.290 nan 0.000 0.515 1049 Q N 0.244 120.065 119.800 0.034 0.000 2.340 1049 Q HA 0.290 4.632 4.340 0.003 0.000 0.268 1049 Q C -0.773 175.257 176.000 0.050 0.000 1.031 1049 Q CA -0.891 54.934 55.803 0.036 0.000 0.804 1049 Q CB 2.361 31.109 28.738 0.015 0.000 1.286 1049 Q HN 0.660 nan 8.270 nan 0.000 0.448 1050 H N 3.660 122.709 119.070 -0.034 0.000 3.016 1050 H HA -0.021 4.537 4.556 0.003 0.000 0.345 1050 H C -1.789 173.516 175.328 -0.039 0.000 1.066 1050 H CA -0.573 55.457 56.048 -0.030 0.000 1.390 1050 H CB 0.964 30.690 29.762 -0.060 0.000 1.344 1050 H HN 0.400 nan 8.280 nan 0.000 0.605 1051 P HA 0.064 nan 4.420 nan 0.000 0.239 1051 P C 0.348 177.736 177.300 0.146 0.000 1.184 1051 P CA 1.486 64.573 63.100 -0.022 0.000 0.760 1051 P CB 0.408 32.045 31.700 -0.105 0.000 0.884 1052 G N -2.845 106.165 108.800 0.350 0.000 4.511 1052 G HA2 0.051 4.013 3.960 0.003 0.000 0.220 1052 G HA3 0.051 4.013 3.960 0.003 0.000 0.220 1052 G C 0.365 175.328 174.900 0.106 0.000 0.733 1052 G CA -0.103 45.167 45.100 0.285 0.000 0.897 1052 G HN 0.389 nan 8.290 nan 0.000 0.691 1053 G N 0.936 109.670 108.800 -0.111 0.000 2.380 1053 G HA2 0.505 4.467 3.960 0.003 0.000 0.262 1053 G HA3 0.505 4.467 3.960 0.003 0.000 0.262 1053 G C -0.251 174.332 174.900 -0.528 0.000 1.243 1053 G CA -0.124 44.651 45.100 -0.541 0.000 0.865 1053 G HN 0.151 nan 8.290 nan 0.000 0.513 1054 I N 3.510 123.831 120.570 -0.416 0.000 2.354 1054 I HA 0.272 4.444 4.170 0.003 0.000 0.292 1054 I C -0.185 175.751 176.117 -0.302 0.000 0.989 1054 I CA -1.176 59.885 61.300 -0.399 0.000 1.188 1054 I CB 1.536 39.344 38.000 -0.320 0.000 1.342 1054 I HN 0.192 nan 8.210 nan 0.000 0.457 1055 I N 6.884 127.308 120.570 -0.243 0.000 2.365 1055 I HA 0.232 4.403 4.170 0.003 0.000 0.291 1055 I C 0.284 176.266 176.117 -0.226 0.000 1.004 1055 I CA -0.693 60.490 61.300 -0.196 0.000 1.311 1055 I CB 1.476 39.414 38.000 -0.103 0.000 1.401 1055 I HN 0.261 nan 8.210 nan 0.000 0.491 1056 V N 7.340 127.064 119.914 -0.316 0.000 2.398 1056 V HA 0.525 4.647 4.120 0.003 0.000 0.286 1056 V C -0.268 175.599 176.094 -0.379 0.000 1.026 1056 V CA -0.442 61.568 62.300 -0.483 0.000 0.868 1056 V CB 1.672 32.995 31.823 -0.833 0.000 0.982 1056 V HN 0.379 nan 8.190 nan 0.000 0.443 1057 V N 8.325 128.054 119.914 -0.308 0.000 2.406 1057 V HA 0.380 4.502 4.120 0.003 0.000 0.272 1057 V C -1.967 173.995 176.094 -0.220 0.000 1.043 1057 V CA -1.555 60.606 62.300 -0.232 0.000 0.915 1057 V CB 0.987 32.759 31.823 -0.084 0.000 0.988 1057 V HN 0.868 nan 8.190 nan 0.000 0.466 1058 P HA 0.056 nan 4.420 nan 0.000 0.267 1058 P C 0.420 177.572 177.300 -0.247 0.000 1.200 1058 P CA -0.115 62.818 63.100 -0.278 0.000 0.772 1058 P CB 0.502 31.843 31.700 -0.598 0.000 0.855 1059 D N 1.257 121.624 120.400 -0.056 0.000 2.350 1059 D HA -0.191 4.450 4.640 0.003 0.000 0.216 1059 D C 0.966 177.301 176.300 0.058 0.000 0.968 1059 D CA 1.370 55.390 54.000 0.034 0.000 0.894 1059 D CB -0.831 40.040 40.800 0.118 0.000 0.909 1059 D HN 0.593 nan 8.370 nan 0.000 0.520 1060 Y N -1.877 118.478 120.300 0.091 0.000 2.457 1060 Y HA 0.425 4.976 4.550 0.003 0.000 0.263 1060 Y C 0.793 176.748 175.900 0.093 0.000 1.164 1060 Y CA -0.899 57.254 58.100 0.090 0.000 1.274 1060 Y CB -0.047 38.471 38.460 0.097 0.000 1.097 1060 Y HN -0.218 nan 8.280 nan 0.000 0.523 1061 M N 1.245 120.703 119.600 -0.237 0.000 2.739 1061 M HA 0.434 4.915 4.480 0.003 0.000 0.284 1061 M C -0.568 175.714 176.300 -0.031 0.000 1.103 1061 M CA -0.776 54.460 55.300 -0.106 0.000 0.809 1061 M CB 1.699 34.232 32.600 -0.112 0.000 1.708 1061 M HN 0.328 nan 8.290 nan 0.000 0.481 1062 E N -0.698 119.509 120.200 0.011 0.000 2.413 1062 E HA 0.359 4.710 4.350 0.003 0.000 0.277 1062 E C 0.067 176.672 176.600 0.009 0.000 0.958 1062 E CA -0.723 55.683 56.400 0.010 0.000 0.779 1062 E CB 1.826 31.555 29.700 0.049 0.000 1.278 1062 E HN 0.347 nan 8.360 nan 0.000 0.456 1063 I N 1.011 121.481 120.570 -0.166 0.000 2.236 1063 I HA -0.283 3.889 4.170 0.003 0.000 0.249 1063 I C 1.289 177.257 176.117 -0.249 0.000 1.102 1063 I CA 1.665 62.788 61.300 -0.294 0.000 1.365 1063 I CB -0.407 37.129 38.000 -0.773 0.000 1.051 1063 I HN 0.612 nan 8.210 nan 0.000 0.420 1064 Y N 0.174 120.466 120.300 -0.013 0.000 2.574 1064 Y HA -0.117 4.434 4.550 0.002 0.000 0.294 1064 Y C 2.107 177.984 175.900 -0.039 0.000 1.142 1064 Y CA 0.706 58.818 58.100 0.020 0.000 1.314 1064 Y CB -1.079 37.374 38.460 -0.012 0.000 0.991 1064 Y HN 0.236 nan 8.280 nan 0.000 0.555 1065 D N -0.870 119.450 120.400 -0.133 0.000 2.371 1065 D HA -0.073 4.568 4.640 0.003 0.000 0.221 1065 D C 0.886 176.723 176.300 -0.770 0.000 0.986 1065 D CA 1.168 54.830 54.000 -0.563 0.000 0.899 1065 D CB -0.023 40.210 40.800 -0.944 0.000 0.902 1065 D HN 0.382 nan 8.370 nan 0.000 0.530 1066 F N -1.020 118.980 119.950 0.082 0.000 2.577 1066 F HA 0.157 4.685 4.527 0.002 0.000 0.282 1066 F C 0.927 176.833 175.800 0.177 0.000 0.957 1066 F CA -0.120 57.950 58.000 0.117 0.000 1.168 1066 F CB 0.811 39.798 39.000 -0.022 0.000 0.958 1066 F HN -0.307 nan 8.300 nan 0.000 0.702 1067 T N 0.159 114.751 114.554 0.065 0.000 2.886 1067 T HA 0.419 4.770 4.350 0.003 0.000 0.330 1067 T C -3.082 171.224 174.700 -0.657 0.000 1.488 1067 T CA -1.664 60.036 62.100 -0.668 0.000 1.054 1067 T CB 1.649 70.216 68.868 -0.502 0.000 1.348 1067 T HN -0.358 nan 8.240 nan 0.000 0.489 1068 P HA 0.507 nan 4.420 nan 0.000 0.274 1068 P C -0.579 176.431 177.300 -0.483 0.000 1.260 1068 P CA -0.473 62.287 63.100 -0.566 0.000 0.793 1068 P CB 0.323 31.540 31.700 -0.805 0.000 1.048 1069 I N -2.548 117.806 120.570 -0.361 0.000 3.108 1069 I HA 0.762 4.933 4.170 0.003 0.000 0.312 1069 I C -0.546 175.402 176.117 -0.281 0.000 1.095 1069 I CA -1.144 59.955 61.300 -0.336 0.000 1.000 1069 I CB 2.159 39.921 38.000 -0.397 0.000 1.229 1069 I HN 0.499 nan 8.210 nan 0.000 0.454 1070 Q N 0.789 120.444 119.800 -0.240 0.000 2.847 1070 Q HA 0.429 4.770 4.340 0.003 0.000 0.333 1070 Q C -2.113 173.748 176.000 -0.232 0.000 0.779 1070 Q CA -0.965 54.693 55.803 -0.242 0.000 0.863 1070 Q CB 1.018 29.607 28.738 -0.249 0.000 1.346 1070 Q HN 0.610 nan 8.270 nan 0.000 0.498 1071 Y N 0.800 121.099 120.300 -0.001 0.000 2.360 1071 Y HA 0.517 5.068 4.550 0.003 0.000 0.337 1071 Y C -2.273 173.617 175.900 -0.018 0.000 1.039 1071 Y CA -2.526 55.566 58.100 -0.014 0.000 1.109 1071 Y CB 1.298 39.717 38.460 -0.068 0.000 1.201 1071 Y HN 0.392 nan 8.280 nan 0.000 0.458 1072 P HA 0.081 nan 4.420 nan 0.000 0.267 1072 P C 0.166 177.507 177.300 0.068 0.000 1.205 1072 P CA 0.784 63.943 63.100 0.099 0.000 0.765 1072 P CB 0.924 32.677 31.700 0.089 0.000 0.828 1073 A N 3.708 126.560 122.820 0.052 0.000 2.799 1073 A HA -0.260 4.061 4.320 0.003 0.000 0.274 1073 A C 0.761 178.335 177.584 -0.017 0.000 1.393 1073 A CA 1.447 53.505 52.037 0.035 0.000 0.909 1073 A CB -2.555 16.463 19.000 0.030 0.000 1.012 1073 A HN 0.582 nan 8.150 nan 0.000 0.653 1074 D N -1.478 118.896 120.400 -0.043 0.000 2.907 1074 D HA -0.152 4.489 4.640 0.003 0.000 0.226 1074 D C -0.320 175.806 176.300 -0.291 0.000 1.141 1074 D CA 1.711 55.545 54.000 -0.277 0.000 0.779 1074 D CB -1.371 39.096 40.800 -0.555 0.000 1.095 1074 D HN 0.883 nan 8.370 nan 0.000 0.430 1075 D N 0.665 120.964 120.400 -0.167 0.000 2.393 1075 D HA 0.118 4.760 4.640 0.003 0.000 0.232 1075 D C 1.435 177.410 176.300 -0.542 0.000 1.192 1075 D CA 0.339 54.195 54.000 -0.239 0.000 0.882 1075 D CB 0.621 41.333 40.800 -0.147 0.000 1.038 1075 D HN 0.179 nan 8.370 nan 0.000 0.499 1076 T N -0.284 113.953 114.554 -0.529 0.000 3.007 1076 T HA -0.153 4.199 4.350 0.003 0.000 0.270 1076 T C 1.668 175.941 174.700 -0.713 0.000 1.107 1076 T CA 0.991 62.622 62.100 -0.782 0.000 1.118 1076 T CB -0.099 68.629 68.868 -0.232 0.000 0.889 1076 T HN 0.283 nan 8.240 nan 0.000 0.506 1077 S N 0.741 116.177 115.700 -0.440 0.000 2.558 1077 S HA 0.182 4.654 4.470 0.003 0.000 0.217 1077 S C 1.023 175.464 174.600 -0.266 0.000 0.975 1077 S CA -0.148 57.883 58.200 -0.281 0.000 0.912 1077 S CB -0.455 62.650 63.200 -0.158 0.000 0.776 1077 S HN 0.475 nan 8.310 nan 0.000 0.526 1078 S N 1.016 116.496 115.700 -0.368 0.000 2.558 1078 S HA 0.070 4.542 4.470 0.003 0.000 0.288 1078 S C 1.005 175.575 174.600 -0.049 0.000 1.318 1078 S CA -0.183 57.927 58.200 -0.151 0.000 1.056 1078 S CB 0.616 63.781 63.200 -0.058 0.000 0.853 1078 S HN 0.599 nan 8.310 nan 0.000 0.505 1079 E N 2.425 122.648 120.200 0.038 0.000 2.204 1079 E HA -0.013 4.338 4.350 0.003 0.000 0.194 1079 E C -0.593 175.953 176.600 -0.089 0.000 0.989 1079 E CA 0.667 57.058 56.400 -0.016 0.000 0.824 1079 E CB 0.225 29.954 29.700 0.049 0.000 0.756 1079 E HN 0.715 nan 8.360 nan 0.000 0.477 1080 W N 0.205 121.537 121.300 0.053 0.000 2.689 1080 W HA 0.375 5.036 4.660 0.003 0.000 0.340 1080 W C -0.218 176.397 176.519 0.160 0.000 1.060 1080 W CA -0.771 56.610 57.345 0.059 0.000 1.218 1080 W CB 1.138 30.596 29.460 -0.004 0.000 1.410 1080 W HN -0.283 nan 8.180 nan 0.000 0.528 1081 R N 1.036 121.765 120.500 0.382 0.000 2.457 1081 R HA 0.549 4.891 4.340 0.003 0.000 0.284 1081 R C 0.165 176.647 176.300 0.303 0.000 1.024 1081 R CA -0.446 55.815 56.100 0.268 0.000 1.025 1081 R CB 0.963 31.361 30.300 0.163 0.000 1.063 1081 R HN 0.454 nan 8.270 nan 0.000 0.493 1082 T N -1.933 112.708 114.554 0.145 0.000 2.950 1082 T HA 0.320 4.671 4.350 0.003 0.000 0.288 1082 T C 0.280 174.965 174.700 -0.025 0.000 1.035 1082 T CA -1.050 61.101 62.100 0.086 0.000 1.028 1082 T CB 1.589 70.490 68.868 0.055 0.000 1.109 1082 T HN 0.608 nan 8.240 nan 0.000 0.514 1083 T N -0.965 113.562 114.554 -0.044 0.000 2.901 1083 T HA 0.168 4.520 4.350 0.003 0.000 0.301 1083 T C 0.917 175.549 174.700 -0.113 0.000 1.012 1083 T CA -0.233 61.787 62.100 -0.132 0.000 1.135 1083 T CB 0.636 69.457 68.868 -0.079 0.000 0.936 1083 T HN 0.810 nan 8.240 nan 0.000 0.539 1084 H N 2.245 121.104 119.070 -0.353 0.000 2.357 1084 H HA 0.198 4.756 4.556 0.003 0.000 0.301 1084 H C 0.144 175.370 175.328 -0.170 0.000 1.082 1084 H CA 0.808 56.630 56.048 -0.377 0.000 1.342 1084 H CB -0.107 29.273 29.762 -0.636 0.000 1.389 1084 H HN 0.668 nan 8.280 nan 0.000 0.511 1085 F N 1.311 121.169 119.950 -0.154 0.000 2.382 1085 F HA 0.139 4.667 4.527 0.002 0.000 0.331 1085 F C 0.742 176.512 175.800 -0.051 0.000 1.121 1085 F CA -1.114 56.810 58.000 -0.127 0.000 1.183 1085 F CB 0.678 39.630 39.000 -0.081 0.000 1.207 1085 F HN 0.304 nan 8.300 nan 0.000 0.555 1086 D N 0.800 121.321 120.400 0.202 0.000 2.411 1086 D HA -0.004 4.638 4.640 0.003 0.000 0.251 1086 D C 0.687 177.134 176.300 0.244 0.000 1.201 1086 D CA -0.482 53.634 54.000 0.194 0.000 0.996 1086 D CB 0.326 41.231 40.800 0.175 0.000 1.101 1086 D HN 0.425 nan 8.370 nan 0.000 0.504 1087 F N -0.142 119.893 119.950 0.143 0.000 2.161 1087 F HA -0.231 4.297 4.527 0.002 0.000 0.300 1087 F C 2.139 178.045 175.800 0.176 0.000 1.089 1087 F CA 1.801 59.871 58.000 0.118 0.000 1.282 1087 F CB -0.484 38.578 39.000 0.104 0.000 1.010 1087 F HN 0.587 nan 8.300 nan 0.000 0.485 1088 H N -0.333 118.714 119.070 -0.039 0.000 2.319 1088 H HA -0.157 4.401 4.556 0.003 0.000 0.297 1088 H C 2.114 177.353 175.328 -0.150 0.000 1.097 1088 H CA 1.914 57.872 56.048 -0.150 0.000 1.285 1088 H CB -0.240 29.510 29.762 -0.021 0.000 1.368 1088 H HN 0.301 nan 8.280 nan 0.000 0.495 1089 S N 0.516 116.176 115.700 -0.065 0.000 2.442 1089 S HA -0.083 4.389 4.470 0.003 0.000 0.236 1089 S C 1.905 176.434 174.600 -0.119 0.000 1.007 1089 S CA 1.279 59.404 58.200 -0.125 0.000 0.965 1089 S CB -0.112 63.001 63.200 -0.144 0.000 0.773 1089 S HN 0.679 nan 8.310 nan 0.000 0.504 1090 I N -2.680 117.826 120.570 -0.106 0.000 4.102 1090 I HA 0.337 4.508 4.170 0.003 0.000 0.325 1090 I C 1.483 177.501 176.117 -0.164 0.000 1.471 1090 I CA -0.329 60.950 61.300 -0.035 0.000 1.133 1090 I CB -0.345 37.711 38.000 0.092 0.000 1.184 1090 I HN 0.072 nan 8.210 nan 0.000 0.451 1091 H N 2.796 121.529 119.070 -0.562 0.000 2.407 1091 H HA -0.247 4.311 4.556 0.003 0.000 0.293 1091 H C 0.674 175.851 175.328 -0.251 0.000 1.122 1091 H CA 2.528 58.121 56.048 -0.758 0.000 1.232 1091 H CB 0.221 29.526 29.762 -0.762 0.000 1.361 1091 H HN 0.466 nan 8.280 nan 0.000 0.498 1092 D N -0.793 119.610 120.400 0.006 0.000 2.349 1092 D HA 0.003 4.644 4.640 0.003 0.000 0.214 1092 D C 1.374 177.722 176.300 0.079 0.000 1.063 1092 D CA 0.014 54.062 54.000 0.080 0.000 0.847 1092 D CB 0.077 40.942 40.800 0.109 0.000 0.933 1092 D HN 0.463 nan 8.370 nan 0.000 0.513 1093 N N -0.177 118.562 118.700 0.066 0.000 2.415 1093 N HA 0.102 4.844 4.740 0.003 0.000 0.174 1093 N C 0.332 175.821 175.510 -0.035 0.000 1.048 1093 N CA 0.325 53.460 53.050 0.141 0.000 0.895 1093 N CB 1.585 40.219 38.487 0.245 0.000 1.036 1093 N HN 0.155 nan 8.380 nan 0.000 0.449 1094 L N 1.176 122.319 121.223 -0.133 0.000 2.445 1094 L HA 0.438 4.780 4.340 0.003 0.000 0.262 1094 L C -0.517 176.286 176.870 -0.111 0.000 0.974 1094 L CA -0.690 54.021 54.840 -0.216 0.000 0.822 1094 L CB 2.779 44.614 42.059 -0.374 0.000 1.339 1094 L HN -0.186 nan 8.230 nan 0.000 0.409 1095 L N 2.552 123.681 121.223 -0.157 0.000 2.426 1095 L HA 0.289 4.630 4.340 0.003 0.000 0.271 1095 L C 0.146 176.940 176.870 -0.128 0.000 1.169 1095 L CA 0.130 54.887 54.840 -0.138 0.000 0.836 1095 L CB 0.596 42.526 42.059 -0.214 0.000 1.112 1095 L HN 0.552 nan 8.230 nan 0.000 0.465 1096 K N 3.426 123.756 120.400 -0.116 0.000 2.259 1096 K HA 0.544 4.866 4.320 0.003 0.000 0.252 1096 K C -1.304 175.204 176.600 -0.154 0.000 0.936 1096 K CA -0.701 55.440 56.287 -0.244 0.000 0.810 1096 K CB 1.419 33.565 32.500 -0.589 0.000 1.143 1096 K HN 0.499 nan 8.250 nan 0.000 0.427 1097 L N 3.779 124.915 121.223 -0.145 0.000 2.264 1097 L HA 0.211 4.553 4.340 0.003 0.000 0.287 1097 L C -0.549 176.293 176.870 -0.046 0.000 1.039 1097 L CA -0.685 54.138 54.840 -0.030 0.000 0.829 1097 L CB 1.265 43.350 42.059 0.043 0.000 1.211 1097 L HN 0.604 nan 8.230 nan 0.000 0.427 1098 D N 4.565 124.963 120.400 -0.004 0.000 2.551 1098 D HA 0.201 4.842 4.640 0.003 0.000 0.223 1098 D C 0.252 176.644 176.300 0.153 0.000 1.144 1098 D CA 0.182 54.205 54.000 0.040 0.000 1.025 1098 D CB 0.193 41.027 40.800 0.055 0.000 1.085 1098 D HN 0.306 nan 8.370 nan 0.000 0.506 1099 I N 3.773 124.461 120.570 0.196 0.000 2.293 1099 I HA 0.075 4.246 4.170 0.003 0.000 0.299 1099 I C 0.461 176.722 176.117 0.240 0.000 1.153 1099 I CA -0.110 61.363 61.300 0.289 0.000 1.302 1099 I CB 0.086 38.206 38.000 0.200 0.000 1.460 1099 I HN 0.012 nan 8.210 nan 0.000 0.552 1100 L N 4.536 125.925 121.223 0.277 0.000 2.365 1100 L HA 0.727 5.069 4.340 0.003 0.000 0.267 1100 L C 0.778 177.770 176.870 0.203 0.000 1.033 1100 L CA -0.782 54.181 54.840 0.206 0.000 0.802 1100 L CB 1.191 43.367 42.059 0.194 0.000 1.267 1100 L HN 0.476 nan 8.230 nan 0.000 0.457 1101 G N -1.302 107.590 108.800 0.154 0.000 2.388 1101 G HA2 0.578 4.539 3.960 0.003 0.000 0.330 1101 G HA3 0.578 4.539 3.960 0.003 0.000 0.330 1101 G C -1.824 173.191 174.900 0.193 0.000 1.142 1101 G CA -0.068 45.118 45.100 0.143 0.000 0.908 1101 G HN 0.686 nan 8.290 nan 0.000 0.473 1102 H N -0.011 119.091 119.070 0.053 0.000 3.064 1102 H HA 0.304 4.862 4.556 0.003 0.000 0.352 1102 H C -0.215 175.115 175.328 0.004 0.000 1.260 1102 H CA -0.559 55.503 56.048 0.023 0.000 1.160 1102 H CB 2.246 32.014 29.762 0.010 0.000 1.879 1102 H HN 0.379 nan 8.280 nan 0.000 0.544 1103 D N 1.466 121.743 120.400 -0.205 0.000 2.249 1103 D HA -0.064 4.577 4.640 0.003 0.000 0.205 1103 D C 0.950 177.277 176.300 0.045 0.000 0.962 1103 D CA 0.623 54.573 54.000 -0.083 0.000 0.860 1103 D CB 0.218 40.910 40.800 -0.180 0.000 0.955 1103 D HN 0.537 nan 8.370 nan 0.000 0.505 1104 D N 0.525 121.074 120.400 0.248 0.000 2.127 1104 D HA -0.139 4.503 4.640 0.003 0.000 0.190 1104 D C -0.825 175.518 176.300 0.071 0.000 1.000 1104 D CA 1.295 55.392 54.000 0.161 0.000 0.839 1104 D CB -1.380 39.488 40.800 0.113 0.000 0.955 1104 D HN 0.226 nan 8.370 nan 0.000 0.446 1105 P HA -0.061 nan 4.420 nan 0.000 0.218 1105 P C 1.247 178.578 177.300 0.052 0.000 1.149 1105 P CA 1.644 64.766 63.100 0.036 0.000 0.817 1105 P CB -0.035 31.688 31.700 0.039 0.000 0.785 1106 T N -1.091 113.507 114.554 0.075 0.000 2.770 1106 T HA -0.070 4.282 4.350 0.003 0.000 0.263 1106 T C 1.890 176.589 174.700 -0.002 0.000 1.039 1106 T CA 0.941 63.083 62.100 0.070 0.000 1.142 1106 T CB -1.102 67.814 68.868 0.080 0.000 0.868 1106 T HN -0.127 nan 8.240 nan 0.000 0.435 1107 V N 2.261 122.160 119.914 -0.024 0.000 2.233 1107 V HA -0.172 3.949 4.120 0.003 0.000 0.247 1107 V C 2.446 178.478 176.094 -0.103 0.000 1.050 1107 V CA 2.056 64.313 62.300 -0.071 0.000 1.010 1107 V CB -0.643 31.142 31.823 -0.064 0.000 0.637 1107 V HN 0.606 nan 8.190 nan 0.000 0.444 1108 I N -0.437 120.092 120.570 -0.069 0.000 2.546 1108 I HA -0.168 4.003 4.170 0.003 0.000 0.255 1108 I C 2.504 178.545 176.117 -0.127 0.000 1.163 1108 I CA 1.690 62.925 61.300 -0.108 0.000 1.457 1108 I CB -0.408 37.583 38.000 -0.015 0.000 1.092 1108 I HN 0.160 nan 8.210 nan 0.000 0.434 1109 R N 0.832 121.281 120.500 -0.086 0.000 2.091 1109 R HA -0.211 4.131 4.340 0.003 0.000 0.238 1109 R C 2.372 178.593 176.300 -0.131 0.000 1.136 1109 R CA 2.274 58.313 56.100 -0.103 0.000 0.959 1109 R CB -0.386 29.853 30.300 -0.102 0.000 0.856 1109 R HN 0.552 nan 8.270 nan 0.000 0.437 1110 M N 0.045 119.567 119.600 -0.130 0.000 2.200 1110 M HA -0.115 4.366 4.480 0.003 0.000 0.265 1110 M C 1.463 177.647 176.300 -0.194 0.000 1.066 1110 M CA 1.109 56.332 55.300 -0.129 0.000 1.127 1110 M CB 0.106 32.651 32.600 -0.091 0.000 1.379 1110 M HN 0.203 nan 8.290 nan 0.000 0.420 1111 L N 0.894 121.923 121.223 -0.323 0.000 2.042 1111 L HA -0.239 4.103 4.340 0.003 0.000 0.210 1111 L C 2.471 179.083 176.870 -0.430 0.000 1.076 1111 L CA 1.982 56.452 54.840 -0.616 0.000 0.749 1111 L CB -1.612 39.671 42.059 -1.293 0.000 0.893 1111 L HN 0.555 nan 8.230 nan 0.000 0.432 1112 Q N -0.500 119.156 119.800 -0.241 0.000 2.079 1112 Q HA -0.203 4.139 4.340 0.003 0.000 0.200 1112 Q C 1.484 177.453 176.000 -0.051 0.000 0.974 1112 Q CA 1.739 57.509 55.803 -0.055 0.000 0.840 1112 Q CB 0.138 28.858 28.738 -0.029 0.000 0.898 1112 Q HN 0.385 nan 8.270 nan 0.000 0.430 1113 D N 0.197 120.547 120.400 -0.083 0.000 2.310 1113 D HA -0.081 4.560 4.640 0.003 0.000 0.212 1113 D C 1.517 177.788 176.300 -0.049 0.000 0.965 1113 D CA 0.744 54.704 54.000 -0.066 0.000 0.879 1113 D CB 0.145 40.897 40.800 -0.080 0.000 0.921 1113 D HN 0.315 nan 8.370 nan 0.000 0.510 1114 L N -0.135 121.053 121.223 -0.059 0.000 2.408 1114 L HA 0.038 4.379 4.340 0.003 0.000 0.215 1114 L C 1.931 178.788 176.870 -0.021 0.000 1.081 1114 L CA 0.670 55.487 54.840 -0.038 0.000 0.840 1114 L CB 0.100 42.130 42.059 -0.049 0.000 1.002 1114 L HN 0.052 nan 8.230 nan 0.000 0.468 1115 S N -1.951 113.743 115.700 -0.009 0.000 2.506 1115 S HA 0.179 4.651 4.470 0.003 0.000 0.219 1115 S C 1.556 176.157 174.600 0.003 0.000 1.031 1115 S CA 0.499 58.692 58.200 -0.011 0.000 0.911 1115 S CB 0.966 64.197 63.200 0.053 0.000 0.812 1115 S HN 0.393 nan 8.310 nan 0.000 0.497 1116 G N 1.483 110.292 108.800 0.015 0.000 2.184 1116 G HA2 -0.243 3.718 3.960 0.003 0.000 0.264 1116 G HA3 -0.243 3.718 3.960 0.003 0.000 0.264 1116 G C 0.023 174.941 174.900 0.029 0.000 0.975 1116 G CA 0.395 45.503 45.100 0.013 0.000 0.642 1116 G HN 0.604 nan 8.290 nan 0.000 0.536 1117 I N 1.372 121.987 120.570 0.075 0.000 2.395 1117 I HA 0.219 4.390 4.170 0.003 0.000 0.289 1117 I C 0.072 176.240 176.117 0.085 0.000 1.023 1117 I CA -0.612 60.735 61.300 0.079 0.000 1.350 1117 I CB 1.097 39.157 38.000 0.101 0.000 1.409 1117 I HN 0.011 nan 8.210 nan 0.000 0.507 1118 D N 9.767 130.178 120.400 0.018 0.000 2.352 1118 D HA 0.114 4.755 4.640 0.003 0.000 0.245 1118 D C -1.467 174.825 176.300 -0.014 0.000 1.224 1118 D CA -2.208 51.794 54.000 0.003 0.000 0.879 1118 D CB 1.268 42.055 40.800 -0.022 0.000 1.057 1118 D HN 0.248 nan 8.370 nan 0.000 0.491 1119 P HA -0.138 nan 4.420 nan 0.000 0.223 1119 P C 0.740 178.013 177.300 -0.043 0.000 1.144 1119 P CA 0.808 63.929 63.100 0.036 0.000 0.783 1119 P CB 0.320 32.087 31.700 0.113 0.000 0.771 1120 K N -0.366 120.006 120.400 -0.047 0.000 2.439 1120 K HA -0.012 4.309 4.320 0.003 0.000 0.197 1120 K C 1.621 178.156 176.600 -0.108 0.000 1.041 1120 K CA 1.488 57.736 56.287 -0.064 0.000 0.970 1120 K CB -0.396 32.078 32.500 -0.043 0.000 0.773 1120 K HN 0.289 nan 8.250 nan 0.000 0.479 1121 T N -1.717 112.759 114.554 -0.131 0.000 3.122 1121 T HA 0.249 4.600 4.350 0.003 0.000 0.250 1121 T C 0.623 175.182 174.700 -0.235 0.000 1.067 1121 T CA -0.324 61.684 62.100 -0.154 0.000 0.966 1121 T CB -0.153 68.640 68.868 -0.125 0.000 1.002 1121 T HN -0.071 nan 8.240 nan 0.000 0.542 1122 I N 3.155 123.545 120.570 -0.299 0.000 2.441 1122 I HA 0.306 4.478 4.170 0.003 0.000 0.287 1122 I C -2.159 173.784 176.117 -0.291 0.000 1.049 1122 I CA -2.526 58.503 61.300 -0.451 0.000 1.381 1122 I CB 1.043 38.723 38.000 -0.533 0.000 1.409 1122 I HN 0.041 nan 8.210 nan 0.000 0.523 1123 P HA 0.115 nan 4.420 nan 0.000 0.276 1123 P C 0.324 177.560 177.300 -0.107 0.000 1.230 1123 P CA -0.330 62.683 63.100 -0.144 0.000 0.776 1123 P CB 0.600 32.268 31.700 -0.053 0.000 0.888 1124 T N -2.667 111.778 114.554 -0.181 0.000 3.206 1124 T HA 0.114 4.466 4.350 0.003 0.000 0.253 1124 T C 0.154 174.866 174.700 0.019 0.000 1.042 1124 T CA -0.090 61.948 62.100 -0.104 0.000 0.931 1124 T CB -0.652 67.986 68.868 -0.383 0.000 1.029 1124 T HN 0.438 nan 8.240 nan 0.000 0.564 1125 D N -1.036 119.371 120.400 0.011 0.000 2.822 1125 D HA 0.077 4.719 4.640 0.003 0.000 0.327 1125 D C -0.659 175.669 176.300 0.048 0.000 1.577 1125 D CA -0.556 53.470 54.000 0.042 0.000 0.785 1125 D CB -0.558 40.262 40.800 0.033 0.000 1.199 1125 D HN 0.206 nan 8.370 nan 0.000 0.443 1126 D N 2.021 122.462 120.400 0.069 0.000 2.346 1126 D HA 0.086 4.728 4.640 0.003 0.000 0.260 1126 D C -1.371 174.973 176.300 0.074 0.000 1.252 1126 D CA -1.609 52.446 54.000 0.093 0.000 0.895 1126 D CB 1.943 42.846 40.800 0.171 0.000 1.097 1126 D HN -0.036 nan 8.370 nan 0.000 0.489 1127 P HA -0.083 nan 4.420 nan 0.000 0.217 1127 P C 0.654 177.964 177.300 0.017 0.000 1.150 1127 P CA 0.753 63.874 63.100 0.034 0.000 0.832 1127 P CB 0.408 32.123 31.700 0.025 0.000 0.787 1128 D N -1.097 119.307 120.400 0.007 0.000 2.149 1128 D HA -0.081 4.561 4.640 0.003 0.000 0.201 1128 D C 1.967 178.210 176.300 -0.096 0.000 0.972 1128 D CA 0.852 54.820 54.000 -0.054 0.000 0.835 1128 D CB -0.634 40.120 40.800 -0.077 0.000 0.966 1128 D HN -0.004 nan 8.370 nan 0.000 0.476 1129 V N 0.921 120.803 119.914 -0.054 0.000 2.323 1129 V HA -0.166 3.955 4.120 0.003 0.000 0.244 1129 V C 2.274 178.413 176.094 0.075 0.000 1.041 1129 V CA 1.042 63.318 62.300 -0.040 0.000 1.025 1129 V CB -0.320 31.536 31.823 0.054 0.000 0.656 1129 V HN 0.192 nan 8.190 nan 0.000 0.451 1130 M N 0.803 120.474 119.600 0.118 0.000 2.460 1130 M HA 0.018 4.500 4.480 0.003 0.000 0.263 1130 M C 2.216 178.619 176.300 0.172 0.000 1.071 1130 M CA 1.540 56.956 55.300 0.192 0.000 1.096 1130 M CB -1.718 30.934 32.600 0.087 0.000 1.408 1130 M HN 0.438 nan 8.290 nan 0.000 0.463 1131 G N 1.371 110.205 108.800 0.056 0.000 2.471 1131 G HA2 -0.123 3.838 3.960 0.003 0.000 0.219 1131 G HA3 -0.123 3.838 3.960 0.003 0.000 0.219 1131 G C 1.500 176.379 174.900 -0.034 0.000 1.125 1131 G CA 0.587 45.693 45.100 0.010 0.000 0.775 1131 G HN 0.647 nan 8.290 nan 0.000 0.548 1132 I N -3.386 117.117 120.570 -0.112 0.000 3.001 1132 I HA 0.166 4.338 4.170 0.003 0.000 0.268 1132 I C 1.760 177.656 176.117 -0.370 0.000 1.267 1132 I CA 0.665 61.800 61.300 -0.275 0.000 1.472 1132 I CB -0.254 37.495 38.000 -0.418 0.000 1.089 1132 I HN -0.016 nan 8.210 nan 0.000 0.468 1133 F N 1.625 121.490 119.950 -0.142 0.000 2.811 1133 F HA 0.062 4.591 4.527 0.003 0.000 0.301 1133 F C 2.056 177.791 175.800 -0.109 0.000 1.151 1133 F CA 0.761 58.660 58.000 -0.168 0.000 1.412 1133 F CB 0.010 38.857 39.000 -0.255 0.000 1.113 1133 F HN 0.339 nan 8.300 nan 0.000 0.579 1134 S N -3.495 112.220 115.700 0.025 0.000 2.820 1134 S HA 0.325 4.797 4.470 0.003 0.000 0.265 1134 S C 0.203 174.791 174.600 -0.020 0.000 1.043 1134 S CA -0.079 58.126 58.200 0.008 0.000 1.245 1134 S CB 0.289 63.502 63.200 0.021 0.000 1.187 1134 S HN 0.032 nan 8.310 nan 0.000 0.673 1135 S N 0.648 116.320 115.700 -0.046 0.000 2.588 1135 S HA 0.537 5.008 4.470 0.003 0.000 0.269 1135 S C 0.390 174.948 174.600 -0.070 0.000 1.157 1135 S CA 0.241 58.413 58.200 -0.047 0.000 0.824 1135 S CB 1.252 64.432 63.200 -0.035 0.000 1.126 1135 S HN 0.491 nan 8.310 nan 0.000 0.464 1136 T N -0.282 114.239 114.554 -0.055 0.000 3.060 1136 T HA 0.262 4.613 4.350 0.003 0.000 0.249 1136 T C 1.176 175.842 174.700 -0.056 0.000 1.079 1136 T CA 0.692 62.757 62.100 -0.059 0.000 1.013 1136 T CB -0.171 68.673 68.868 -0.040 0.000 0.975 1136 T HN 0.544 nan 8.240 nan 0.000 0.518 1137 E N 2.619 122.790 120.200 -0.049 0.000 2.068 1137 E HA -0.103 4.248 4.350 0.003 0.000 0.207 1137 E C -0.710 175.853 176.600 -0.062 0.000 1.032 1137 E CA 2.196 58.568 56.400 -0.046 0.000 0.839 1137 E CB -1.187 28.491 29.700 -0.038 0.000 0.758 1137 E HN 0.448 nan 8.360 nan 0.000 0.457 1138 P HA -0.138 nan 4.420 nan 0.000 0.222 1138 P C 0.570 177.798 177.300 -0.121 0.000 1.142 1138 P CA 0.891 63.924 63.100 -0.110 0.000 0.788 1138 P CB 0.152 31.767 31.700 -0.142 0.000 0.767 1139 L N -2.451 118.713 121.223 -0.098 0.000 2.529 1139 L HA 0.329 4.671 4.340 0.003 0.000 0.223 1139 L C 1.592 178.440 176.870 -0.036 0.000 1.113 1139 L CA 0.989 55.784 54.840 -0.075 0.000 0.861 1139 L CB -1.553 40.469 42.059 -0.061 0.000 1.012 1139 L HN 0.104 nan 8.230 nan 0.000 0.461 1140 G N 0.318 109.093 108.800 -0.041 0.000 2.176 1140 G HA2 -0.179 3.783 3.960 0.003 0.000 0.252 1140 G HA3 -0.179 3.783 3.960 0.003 0.000 0.252 1140 G C 0.236 175.122 174.900 -0.023 0.000 1.024 1140 G CA 0.520 45.601 45.100 -0.031 0.000 0.755 1140 G HN 0.472 nan 8.290 nan 0.000 0.507 1141 V N -4.336 115.566 119.914 -0.020 0.000 3.130 1141 V HA 0.935 5.056 4.120 0.003 0.000 0.310 1141 V C 0.259 176.343 176.094 -0.015 0.000 1.158 1141 V CA -0.355 61.937 62.300 -0.013 0.000 1.029 1141 V CB 1.865 33.688 31.823 0.000 0.000 1.057 1141 V HN 0.354 nan 8.190 nan 0.000 0.436 1142 T N 3.112 117.660 114.554 -0.011 0.000 2.909 1142 T HA 0.444 4.795 4.350 0.003 0.000 0.289 1142 T C -1.875 172.820 174.700 -0.007 0.000 1.005 1142 T CA -0.854 61.240 62.100 -0.010 0.000 1.084 1142 T CB 1.700 70.563 68.868 -0.008 0.000 0.975 1142 T HN 0.758 nan 8.240 nan 0.000 0.509 1143 P HA -0.113 nan 4.420 nan 0.000 0.216 1143 P C 1.339 178.639 177.300 -0.000 0.000 1.153 1143 P CA 0.842 63.939 63.100 -0.006 0.000 0.858 1143 P CB 0.283 31.980 31.700 -0.006 0.000 0.789 1144 E N -0.104 120.095 120.200 -0.000 0.000 2.110 1144 E HA -0.221 4.130 4.350 0.003 0.000 0.193 1144 E C 2.107 178.710 176.600 0.004 0.000 0.988 1144 E CA 1.377 57.778 56.400 0.002 0.000 0.804 1144 E CB -0.677 29.023 29.700 0.001 0.000 0.745 1144 E HN 0.225 nan 8.360 nan 0.000 0.458 1145 Q N -0.360 119.441 119.800 0.002 0.000 2.096 1145 Q HA -0.128 4.214 4.340 0.003 0.000 0.204 1145 Q C 2.007 178.013 176.000 0.010 0.000 0.982 1145 Q CA 1.824 57.629 55.803 0.004 0.000 0.850 1145 Q CB -0.170 28.568 28.738 0.001 0.000 0.901 1145 Q HN 0.622 nan 8.270 nan 0.000 0.422 1146 I N -4.394 116.182 120.570 0.011 0.000 3.974 1146 I HA 0.251 4.423 4.170 0.003 0.000 0.334 1146 I C -0.166 175.960 176.117 0.015 0.000 1.437 1146 I CA -0.331 60.979 61.300 0.017 0.000 1.113 1146 I CB 0.373 38.386 38.000 0.021 0.000 1.063 1146 I HN 0.050 nan 8.210 nan 0.000 0.400 1147 M N 0.925 120.533 119.600 0.012 0.000 2.297 1147 M HA -0.213 4.269 4.480 0.003 0.000 0.200 1147 M C -0.503 175.804 176.300 0.012 0.000 0.414 1147 M CA 0.401 55.709 55.300 0.013 0.000 0.449 1147 M CB -1.767 30.843 32.600 0.017 0.000 1.436 1147 M HN 0.711 nan 8.290 nan 0.000 0.912 1148 C N -0.254 119.049 119.300 0.006 0.000 3.279 1148 C HA 0.413 4.875 4.460 0.003 0.000 0.386 1148 C C 0.545 175.532 174.990 -0.005 0.000 1.081 1148 C CA -0.691 58.329 59.018 0.002 0.000 1.192 1148 C CB 1.559 29.299 27.740 0.001 0.000 1.552 1148 C HN 0.589 nan 8.230 nan 0.000 0.559 1149 N N 1.297 119.993 118.700 -0.007 0.000 2.325 1149 N HA 0.120 4.862 4.740 0.003 0.000 0.182 1149 N C 0.210 175.706 175.510 -0.023 0.000 1.088 1149 N CA 1.143 54.187 53.050 -0.011 0.000 0.879 1149 N CB 0.787 39.272 38.487 -0.004 0.000 0.983 1149 N HN 0.828 nan 8.380 nan 0.000 0.471 1150 V N -4.217 115.677 119.914 -0.033 0.000 3.141 1150 V HA 0.828 4.949 4.120 0.003 0.000 0.312 1150 V C 0.903 176.943 176.094 -0.089 0.000 1.157 1150 V CA -0.908 61.357 62.300 -0.059 0.000 1.041 1150 V CB 1.385 33.177 31.823 -0.052 0.000 1.071 1150 V HN -0.120 nan 8.190 nan 0.000 0.441 1151 G N -0.028 108.683 108.800 -0.149 0.000 3.448 1151 G HA2 0.218 4.179 3.960 0.003 0.000 0.261 1151 G HA3 0.218 4.179 3.960 0.003 0.000 0.261 1151 G C 0.728 175.472 174.900 -0.259 0.000 1.173 1151 G CA 0.648 45.636 45.100 -0.186 0.000 0.835 1151 G HN 1.247 nan 8.290 nan 0.000 0.534 1152 T N -1.291 113.120 114.554 -0.238 0.000 3.206 1152 T HA 0.342 4.693 4.350 0.003 0.000 0.253 1152 T C 0.845 175.496 174.700 -0.082 0.000 1.042 1152 T CA -0.532 61.421 62.100 -0.245 0.000 0.931 1152 T CB -0.269 68.477 68.868 -0.204 0.000 1.029 1152 T HN 0.112 nan 8.240 nan 0.000 0.564 1153 I N 2.141 122.677 120.570 -0.057 0.000 2.752 1153 I HA 0.271 4.442 4.170 0.003 0.000 0.289 1153 I C 1.663 177.787 176.117 0.012 0.000 1.197 1153 I CA 1.430 62.725 61.300 -0.009 0.000 1.432 1153 I CB 0.087 38.089 38.000 0.002 0.000 1.359 1153 I HN 0.576 nan 8.210 nan 0.000 0.571 1154 G N 5.959 114.763 108.800 0.007 0.000 2.253 1154 G HA2 -0.232 3.729 3.960 0.003 0.000 0.251 1154 G HA3 -0.232 3.729 3.960 0.003 0.000 0.251 1154 G C 0.401 175.436 174.900 0.226 0.000 0.998 1154 G CA -0.495 44.608 45.100 0.005 0.000 0.621 1154 G HN 0.455 nan 8.290 nan 0.000 0.524 1155 I N 3.480 124.164 120.570 0.191 0.000 2.556 1155 I HA 0.210 4.382 4.170 0.003 0.000 0.284 1155 I C -1.385 174.902 176.117 0.285 0.000 1.114 1155 I CA -2.166 59.275 61.300 0.235 0.000 1.418 1155 I CB 0.161 38.246 38.000 0.141 0.000 1.394 1155 I HN 0.023 nan 8.210 nan 0.000 0.552 1156 P HA 0.047 nan 4.420 nan 0.000 0.268 1156 P C 0.299 177.770 177.300 0.286 0.000 1.205 1156 P CA 0.297 63.543 63.100 0.244 0.000 0.771 1156 P CB 0.820 32.634 31.700 0.190 0.000 0.858 1157 E N 0.686 121.011 120.200 0.208 0.000 5.052 1157 E HA -0.277 4.074 4.350 0.003 0.000 0.167 1157 E C 1.072 177.646 176.600 -0.043 0.000 1.146 1157 E CA 1.901 58.367 56.400 0.110 0.000 2.262 1157 E CB -2.168 27.596 29.700 0.107 0.000 1.785 1157 E HN 0.522 nan 8.360 nan 0.000 0.455 1158 F N 0.707 120.764 119.950 0.179 0.000 2.797 1158 F HA 0.249 4.778 4.527 0.003 0.000 0.302 1158 F C 2.325 178.154 175.800 0.047 0.000 1.130 1158 F CA 0.793 58.866 58.000 0.123 0.000 1.387 1158 F CB 0.378 39.516 39.000 0.230 0.000 1.107 1158 F HN 0.202 nan 8.300 nan 0.000 0.577 1159 G N -0.918 108.000 108.800 0.196 0.000 2.838 1159 G HA2 -0.034 3.928 3.960 0.003 0.000 0.210 1159 G HA3 -0.034 3.928 3.960 0.003 0.000 0.210 1159 G C 0.821 175.769 174.900 0.080 0.000 1.153 1159 G CA 0.042 45.211 45.100 0.115 0.000 0.778 1159 G HN 0.090 nan 8.290 nan 0.000 0.539 1160 T N 0.514 115.115 114.554 0.078 0.000 2.908 1160 T HA 0.035 4.386 4.350 0.003 0.000 0.325 1160 T C 1.745 176.481 174.700 0.062 0.000 1.092 1160 T CA 0.096 62.237 62.100 0.068 0.000 1.125 1160 T CB 0.910 69.816 68.868 0.063 0.000 1.016 1160 T HN 0.216 nan 8.240 nan 0.000 0.550 1161 R N 1.038 121.584 120.500 0.077 0.000 2.073 1161 R HA -0.073 4.269 4.340 0.003 0.000 0.234 1161 R C 2.161 178.527 176.300 0.111 0.000 1.134 1161 R CA 1.333 57.481 56.100 0.080 0.000 0.952 1161 R CB -0.370 29.977 30.300 0.078 0.000 0.850 1161 R HN 0.650 nan 8.270 nan 0.000 0.433 1162 F N 1.214 121.152 119.950 -0.019 0.000 2.095 1162 F HA -0.223 4.305 4.527 0.003 0.000 0.298 1162 F C 1.948 177.709 175.800 -0.065 0.000 1.104 1162 F CA 1.402 59.382 58.000 -0.033 0.000 1.232 1162 F CB -0.526 38.443 39.000 -0.052 0.000 0.987 1162 F HN -0.266 nan 8.300 nan 0.000 0.475 1163 V N 0.995 120.761 119.914 -0.247 0.000 2.358 1163 V HA -0.244 3.878 4.120 0.003 0.000 0.246 1163 V C 2.547 178.517 176.094 -0.206 0.000 1.047 1163 V CA 2.038 64.106 62.300 -0.385 0.000 1.035 1163 V CB -0.723 30.962 31.823 -0.230 0.000 0.658 1163 V HN 0.254 nan 8.190 nan 0.000 0.452 1164 R N -0.039 120.420 120.500 -0.070 0.000 2.119 1164 R HA -0.299 4.042 4.340 0.003 0.000 0.246 1164 R C 2.420 178.682 176.300 -0.063 0.000 1.146 1164 R CA 2.196 58.278 56.100 -0.031 0.000 0.962 1164 R CB -0.425 29.873 30.300 -0.002 0.000 0.863 1164 R HN 0.514 nan 8.270 nan 0.000 0.442 1165 Q N 0.811 120.564 119.800 -0.077 0.000 2.050 1165 Q HA -0.125 4.216 4.340 0.003 0.000 0.202 1165 Q C 2.001 177.935 176.000 -0.110 0.000 0.980 1165 Q CA 1.792 57.565 55.803 -0.051 0.000 0.840 1165 Q CB -0.155 28.593 28.738 0.016 0.000 0.898 1165 Q HN 0.297 nan 8.270 nan 0.000 0.424 1166 M N -0.723 118.691 119.600 -0.309 0.000 2.082 1166 M HA -0.204 4.277 4.480 0.003 0.000 0.258 1166 M C 1.759 177.914 176.300 -0.241 0.000 1.069 1166 M CA 1.198 56.237 55.300 -0.434 0.000 1.102 1166 M CB -0.364 31.688 32.600 -0.913 0.000 1.336 1166 M HN 0.270 nan 8.290 nan 0.000 0.404 1167 L N 0.351 121.479 121.223 -0.159 0.000 2.083 1167 L HA -0.191 4.151 4.340 0.003 0.000 0.209 1167 L C 2.325 179.180 176.870 -0.025 0.000 1.083 1167 L CA 1.843 56.653 54.840 -0.050 0.000 0.752 1167 L CB -1.021 41.052 42.059 0.024 0.000 0.899 1167 L HN 0.354 nan 8.230 nan 0.000 0.433 1168 E N -0.277 119.908 120.200 -0.024 0.000 2.118 1168 E HA -0.263 4.089 4.350 0.003 0.000 0.195 1168 E C 1.883 178.492 176.600 0.015 0.000 0.992 1168 E CA 1.498 57.898 56.400 -0.001 0.000 0.804 1168 E CB 0.070 29.772 29.700 0.004 0.000 0.741 1168 E HN 0.699 nan 8.360 nan 0.000 0.458 1169 E N -0.884 119.331 120.200 0.026 0.000 2.472 1169 E HA -0.028 4.324 4.350 0.003 0.000 0.196 1169 E C 1.305 177.948 176.600 0.072 0.000 1.033 1169 E CA 0.987 57.426 56.400 0.066 0.000 0.886 1169 E CB 0.402 30.177 29.700 0.124 0.000 0.944 1169 E HN 0.234 nan 8.360 nan 0.000 0.492 1170 T N -1.664 112.906 114.554 0.028 0.000 2.971 1170 T HA 0.191 4.542 4.350 0.003 0.000 0.252 1170 T C 0.693 175.400 174.700 0.012 0.000 1.022 1170 T CA -0.380 61.735 62.100 0.025 0.000 0.980 1170 T CB -0.204 68.645 68.868 -0.032 0.000 1.044 1170 T HN 0.093 nan 8.240 nan 0.000 0.501 1171 R N 1.760 122.265 120.500 0.008 0.000 3.109 1171 R HA -0.098 4.243 4.340 0.003 0.000 0.241 1171 R C -2.425 173.879 176.300 0.007 0.000 0.882 1171 R CA 0.250 56.357 56.100 0.012 0.000 0.604 1171 R CB -1.915 28.393 30.300 0.014 0.000 1.040 1171 R HN 0.484 nan 8.270 nan 0.000 0.480 1172 P HA 0.060 nan 4.420 nan 0.000 0.271 1172 P C -0.088 177.194 177.300 -0.030 0.000 1.216 1172 P CA 0.044 63.123 63.100 -0.034 0.000 0.776 1172 P CB 0.889 32.538 31.700 -0.085 0.000 0.881 1173 K N -0.288 120.094 120.400 -0.031 0.000 2.474 1173 K HA 0.177 4.498 4.320 0.003 0.000 0.204 1173 K C 0.691 177.276 176.600 -0.025 0.000 1.220 1173 K CA 0.433 56.711 56.287 -0.014 0.000 0.966 1173 K CB 0.325 32.829 32.500 0.007 0.000 1.049 1173 K HN 0.354 nan 8.250 nan 0.000 0.554 1174 T N 0.170 114.707 114.554 -0.027 0.000 2.928 1174 T HA 0.168 4.520 4.350 0.003 0.000 0.284 1174 T C 0.341 175.053 174.700 0.019 0.000 1.008 1174 T CA -0.534 61.580 62.100 0.023 0.000 1.057 1174 T CB 0.638 69.527 68.868 0.034 0.000 1.018 1174 T HN 0.053 nan 8.240 nan 0.000 0.493 1175 F N 2.591 122.534 119.950 -0.012 0.000 2.069 1175 F HA -0.171 4.358 4.527 0.003 0.000 0.298 1175 F C 2.650 178.450 175.800 0.000 0.000 1.113 1175 F CA 2.291 60.298 58.000 0.012 0.000 1.214 1175 F CB -0.346 38.763 39.000 0.182 0.000 0.978 1175 F HN 0.632 nan 8.300 nan 0.000 0.474 1176 S N -0.700 115.125 115.700 0.207 0.000 2.423 1176 S HA -0.174 4.297 4.470 0.003 0.000 0.231 1176 S C 1.775 176.365 174.600 -0.016 0.000 1.014 1176 S CA 1.218 59.475 58.200 0.095 0.000 0.965 1176 S CB -0.711 62.580 63.200 0.151 0.000 0.785 1176 S HN 0.636 nan 8.310 nan 0.000 0.495 1177 E N 0.620 120.802 120.200 -0.030 0.000 2.077 1177 E HA -0.055 4.297 4.350 0.003 0.000 0.193 1177 E C 1.896 178.438 176.600 -0.098 0.000 0.989 1177 E CA 1.084 57.456 56.400 -0.048 0.000 0.800 1177 E CB -0.251 29.425 29.700 -0.041 0.000 0.746 1177 E HN 0.314 nan 8.360 nan 0.000 0.452 1178 L N 0.473 121.569 121.223 -0.211 0.000 2.042 1178 L HA -0.188 4.154 4.340 0.003 0.000 0.210 1178 L C 2.317 179.118 176.870 -0.116 0.000 1.076 1178 L CA 1.336 56.010 54.840 -0.276 0.000 0.749 1178 L CB -0.798 40.883 42.059 -0.629 0.000 0.893 1178 L HN 0.051 nan 8.230 nan 0.000 0.432 1179 V N -0.925 118.851 119.914 -0.229 0.000 2.392 1179 V HA -0.326 3.795 4.120 0.003 0.000 0.249 1179 V C 2.556 178.654 176.094 0.008 0.000 1.059 1179 V CA 1.703 63.931 62.300 -0.120 0.000 1.051 1179 V CB -0.536 31.188 31.823 -0.166 0.000 0.658 1179 V HN 0.502 nan 8.190 nan 0.000 0.455 1180 Q N 0.117 119.918 119.800 0.002 0.000 2.050 1180 Q HA -0.186 4.156 4.340 0.003 0.000 0.202 1180 Q C 1.990 178.004 176.000 0.023 0.000 0.980 1180 Q CA 2.032 57.853 55.803 0.030 0.000 0.840 1180 Q CB -0.292 28.463 28.738 0.028 0.000 0.898 1180 Q HN 0.486 nan 8.270 nan 0.000 0.424 1181 I N 0.263 120.837 120.570 0.008 0.000 2.226 1181 I HA -0.220 3.952 4.170 0.003 0.000 0.245 1181 I C 2.369 178.484 176.117 -0.003 0.000 1.100 1181 I CA 1.552 62.835 61.300 -0.027 0.000 1.374 1181 I CB -1.762 36.264 38.000 0.044 0.000 1.057 1181 I HN 0.297 nan 8.210 nan 0.000 0.413 1182 S N 1.054 116.824 115.700 0.116 0.000 2.365 1182 S HA -0.180 4.291 4.470 0.003 0.000 0.225 1182 S C 2.226 176.965 174.600 0.232 0.000 1.039 1182 S CA 1.912 60.219 58.200 0.179 0.000 1.033 1182 S CB -0.752 62.617 63.200 0.283 0.000 0.887 1182 S HN 0.534 nan 8.310 nan 0.000 0.447 1183 G N 1.512 110.424 108.800 0.186 0.000 2.446 1183 G HA2 -0.135 3.826 3.960 0.003 0.000 0.217 1183 G HA3 -0.135 3.826 3.960 0.003 0.000 0.217 1183 G C 1.219 176.094 174.900 -0.043 0.000 1.168 1183 G CA 1.276 46.434 45.100 0.096 0.000 0.771 1183 G HN 0.619 nan 8.290 nan 0.000 0.551 1184 L N 1.251 122.461 121.223 -0.021 0.000 2.599 1184 L HA 0.281 4.623 4.340 0.003 0.000 0.230 1184 L C 2.164 178.991 176.870 -0.072 0.000 1.141 1184 L CA 1.242 56.081 54.840 -0.002 0.000 0.877 1184 L CB -0.145 41.987 42.059 0.121 0.000 1.009 1184 L HN 0.204 nan 8.230 nan 0.000 0.447 1185 S N -2.094 113.487 115.700 -0.198 0.000 2.575 1185 S HA 0.115 4.587 4.470 0.003 0.000 0.215 1185 S C 0.138 174.500 174.600 -0.396 0.000 0.966 1185 S CA -0.276 57.739 58.200 -0.310 0.000 0.911 1185 S CB -0.748 62.150 63.200 -0.504 0.000 0.780 1185 S HN 0.547 nan 8.310 nan 0.000 0.514 1186 H N 0.806 119.753 119.070 -0.206 0.000 2.887 1186 H HA 0.653 5.211 4.556 0.003 0.000 0.300 1186 H C 0.294 175.557 175.328 -0.110 0.000 1.038 1186 H CA 0.434 56.321 56.048 -0.268 0.000 1.352 1186 H CB 1.096 30.403 29.762 -0.759 0.000 1.473 1186 H HN 0.498 nan 8.280 nan 0.000 0.503 1187 G N 1.729 110.576 108.800 0.078 0.000 2.764 1187 G HA2 -0.082 3.880 3.960 0.003 0.000 0.678 1187 G HA3 -0.082 3.880 3.960 0.003 0.000 0.678 1187 G C -0.493 174.452 174.900 0.074 0.000 1.341 1187 G CA -1.125 44.062 45.100 0.146 0.000 0.836 1187 G HN 0.473 nan 8.290 nan 0.000 0.632 1188 T N 2.151 116.733 114.554 0.046 0.000 2.916 1188 T HA 0.426 4.777 4.350 0.003 0.000 0.303 1188 T C 0.761 175.482 174.700 0.034 0.000 1.025 1188 T CA 1.230 63.337 62.100 0.012 0.000 1.142 1188 T CB 0.624 69.488 68.868 -0.007 0.000 0.947 1188 T HN 0.896 nan 8.240 nan 0.000 0.544 1189 D N 0.927 121.345 120.400 0.030 0.000 3.041 1189 D HA -0.143 4.499 4.640 0.003 0.000 0.220 1189 D C 1.049 177.383 176.300 0.056 0.000 1.157 1189 D CA 0.397 54.417 54.000 0.032 0.000 0.876 1189 D CB -1.386 39.422 40.800 0.013 0.000 1.107 1189 D HN 0.382 nan 8.370 nan 0.000 0.422 1190 V N -0.976 119.001 119.914 0.106 0.000 2.500 1190 V HA -0.019 4.103 4.120 0.003 0.000 0.243 1190 V C 1.881 178.105 176.094 0.216 0.000 1.039 1190 V CA 1.694 64.070 62.300 0.127 0.000 1.053 1190 V CB 0.156 32.052 31.823 0.122 0.000 0.695 1190 V HN 0.490 nan 8.190 nan 0.000 0.463 1191 W N -0.521 120.814 121.300 0.059 0.000 3.434 1191 W HA 0.286 4.948 4.660 0.002 0.000 0.238 1191 W C 0.015 176.582 176.519 0.079 0.000 0.910 1191 W CA -0.099 57.295 57.345 0.081 0.000 2.222 1191 W CB 0.152 29.707 29.460 0.158 0.000 1.131 1191 W HN 0.018 nan 8.180 nan 0.000 0.636 1192 L N 2.388 123.716 121.223 0.175 0.000 2.601 1192 L HA 0.095 4.436 4.340 0.003 0.000 0.277 1192 L C 1.643 178.474 176.870 -0.066 0.000 1.219 1192 L CA 2.004 56.846 54.840 0.004 0.000 0.915 1192 L CB -0.702 41.413 42.059 0.093 0.000 1.160 1192 L HN 0.575 nan 8.230 nan 0.000 0.494 1193 G N 2.238 110.965 108.800 -0.122 0.000 2.180 1193 G HA2 -0.385 3.576 3.960 0.003 0.000 0.263 1193 G HA3 -0.385 3.576 3.960 0.003 0.000 0.263 1193 G C 0.803 175.648 174.900 -0.091 0.000 0.989 1193 G CA 0.856 45.901 45.100 -0.092 0.000 0.692 1193 G HN 0.682 nan 8.290 nan 0.000 0.526 1194 N N -1.353 117.269 118.700 -0.131 0.000 2.669 1194 N HA 0.488 5.230 4.740 0.003 0.000 0.156 1194 N C 2.244 177.659 175.510 -0.158 0.000 1.757 1194 N CA 1.511 54.504 53.050 -0.094 0.000 1.289 1194 N CB -0.729 37.740 38.487 -0.029 0.000 0.887 1194 N HN 0.541 nan 8.380 nan 0.000 0.586 1195 A N 0.953 123.694 122.820 -0.132 0.000 1.948 1195 A HA -0.208 4.114 4.320 0.003 0.000 0.220 1195 A C 2.017 179.317 177.584 -0.473 0.000 1.177 1195 A CA 2.166 54.108 52.037 -0.159 0.000 0.636 1195 A CB -0.944 18.105 19.000 0.083 0.000 0.815 1195 A HN 0.677 nan 8.150 nan 0.000 0.449 1196 Q N -0.573 118.674 119.800 -0.920 0.000 2.079 1196 Q HA -0.205 4.136 4.340 0.003 0.000 0.200 1196 Q C 1.932 177.587 176.000 -0.575 0.000 0.974 1196 Q CA 1.681 56.725 55.803 -1.264 0.000 0.840 1196 Q CB -0.158 27.550 28.738 -1.717 0.000 0.898 1196 Q HN 0.782 nan 8.270 nan 0.000 0.430 1197 E N 0.189 120.146 120.200 -0.406 0.000 2.110 1197 E HA -0.167 4.184 4.350 0.003 0.000 0.193 1197 E C 2.083 178.546 176.600 -0.228 0.000 0.988 1197 E CA 1.030 57.279 56.400 -0.252 0.000 0.804 1197 E CB -0.009 29.584 29.700 -0.178 0.000 0.745 1197 E HN 0.395 nan 8.360 nan 0.000 0.458 1198 L N 0.474 121.550 121.223 -0.246 0.000 2.093 1198 L HA -0.166 4.175 4.340 0.003 0.000 0.208 1198 L C 2.294 179.006 176.870 -0.263 0.000 1.085 1198 L CA 0.832 55.512 54.840 -0.267 0.000 0.755 1198 L CB -0.277 41.611 42.059 -0.285 0.000 0.904 1198 L HN 0.179 nan 8.230 nan 0.000 0.435 1199 I N -0.913 119.521 120.570 -0.228 0.000 2.233 1199 I HA -0.235 3.936 4.170 0.003 0.000 0.243 1199 I C 2.528 178.561 176.117 -0.139 0.000 1.093 1199 I CA 1.085 62.288 61.300 -0.161 0.000 1.380 1199 I CB -0.317 37.619 38.000 -0.106 0.000 1.067 1199 I HN 0.284 nan 8.210 nan 0.000 0.413 1200 Q N 0.649 120.356 119.800 -0.155 0.000 2.167 1200 Q HA -0.158 4.184 4.340 0.003 0.000 0.202 1200 Q C 1.833 177.770 176.000 -0.106 0.000 0.970 1200 Q CA 1.106 56.840 55.803 -0.114 0.000 0.855 1200 Q CB -0.173 28.494 28.738 -0.119 0.000 0.911 1200 Q HN 0.476 nan 8.270 nan 0.000 0.438 1201 N N -0.374 118.248 118.700 -0.131 0.000 2.381 1201 N HA -0.082 4.660 4.740 0.003 0.000 0.182 1201 N C 1.153 176.592 175.510 -0.118 0.000 1.025 1201 N CA 1.308 54.286 53.050 -0.120 0.000 0.888 1201 N CB 0.081 38.479 38.487 -0.148 0.000 0.965 1201 N HN 0.451 nan 8.380 nan 0.000 0.438 1202 G N -0.739 107.981 108.800 -0.134 0.000 2.176 1202 G HA2 -0.316 3.646 3.960 0.003 0.000 0.253 1202 G HA3 -0.316 3.646 3.960 0.003 0.000 0.253 1202 G C 1.014 175.806 174.900 -0.179 0.000 0.979 1202 G CA 1.153 46.177 45.100 -0.126 0.000 0.641 1202 G HN 0.485 nan 8.290 nan 0.000 0.530 1203 T N -1.258 113.136 114.554 -0.265 0.000 2.995 1203 T HA 0.274 4.626 4.350 0.003 0.000 0.269 1203 T C 1.283 175.643 174.700 -0.568 0.000 1.091 1203 T CA 2.345 64.197 62.100 -0.414 0.000 1.128 1203 T CB -0.447 68.124 68.868 -0.495 0.000 0.891 1203 T HN 1.891 nan 8.240 nan 0.000 0.492 1204 C N 0.220 119.247 119.300 -0.455 0.000 3.306 1204 C HA 0.760 5.221 4.460 0.003 0.000 0.335 1204 C C 0.259 175.140 174.990 -0.180 0.000 1.382 1204 C CA -0.435 58.383 59.018 -0.332 0.000 1.254 1204 C CB 0.950 28.410 27.740 -0.467 0.000 1.555 1204 C HN 0.503 nan 8.230 nan 0.000 0.463 1205 T N -0.258 114.242 114.554 -0.089 0.000 2.816 1205 T HA 0.387 4.738 4.350 0.003 0.000 0.282 1205 T C 0.913 175.608 174.700 -0.009 0.000 0.993 1205 T CA 0.143 62.220 62.100 -0.039 0.000 0.994 1205 T CB 0.666 69.528 68.868 -0.010 0.000 1.025 1205 T HN 1.593 nan 8.240 nan 0.000 0.529 1206 L N 1.259 122.496 121.223 0.023 0.000 2.079 1206 L HA -0.017 4.325 4.340 0.003 0.000 0.210 1206 L C 2.459 179.369 176.870 0.067 0.000 1.081 1206 L CA 2.534 57.414 54.840 0.068 0.000 0.752 1206 L CB -1.280 40.828 42.059 0.080 0.000 0.896 1206 L HN 0.938 nan 8.230 nan 0.000 0.433 1207 S N -2.301 113.427 115.700 0.047 0.000 2.603 1207 S HA 0.031 4.502 4.470 0.003 0.000 0.220 1207 S C 1.389 176.022 174.600 0.055 0.000 0.967 1207 S CA 0.431 58.660 58.200 0.049 0.000 0.920 1207 S CB -0.423 62.799 63.200 0.036 0.000 0.773 1207 S HN 0.675 nan 8.310 nan 0.000 0.529 1208 E N 0.295 120.529 120.200 0.057 0.000 2.489 1208 E HA 0.270 4.621 4.350 0.003 0.000 0.204 1208 E C -0.245 176.441 176.600 0.143 0.000 1.006 1208 E CA -0.194 56.257 56.400 0.086 0.000 0.936 1208 E CB 0.854 30.602 29.700 0.080 0.000 1.002 1208 E HN 0.280 nan 8.360 nan 0.000 0.488 1209 V N 1.751 121.730 119.914 0.107 0.000 2.881 1209 V HA 0.092 4.214 4.120 0.003 0.000 0.303 1209 V C 0.283 176.447 176.094 0.116 0.000 1.070 1209 V CA -0.188 62.185 62.300 0.122 0.000 1.074 1209 V CB 1.094 32.975 31.823 0.095 0.000 1.012 1209 V HN 0.130 nan 8.190 nan 0.000 0.482 1210 I N 4.092 124.710 120.570 0.080 0.000 2.406 1210 I HA 0.233 4.405 4.170 0.003 0.000 0.293 1210 I C 1.229 177.378 176.117 0.053 0.000 1.101 1210 I CA 0.599 61.921 61.300 0.037 0.000 1.334 1210 I CB 0.742 38.694 38.000 -0.080 0.000 1.421 1210 I HN 0.765 nan 8.210 nan 0.000 0.513 1211 G N 5.509 114.349 108.800 0.068 0.000 3.377 1211 G HA2 0.311 4.273 3.960 0.003 0.000 0.257 1211 G HA3 0.311 4.273 3.960 0.003 0.000 0.257 1211 G C -0.054 174.889 174.900 0.072 0.000 1.038 1211 G CA 0.076 45.219 45.100 0.071 0.000 0.809 1211 G HN 0.722 nan 8.290 nan 0.000 0.526 1212 C N -1.570 117.769 119.300 0.064 0.000 3.302 1212 C HA 0.542 5.003 4.460 0.003 0.000 0.347 1212 C C 1.436 176.454 174.990 0.046 0.000 1.218 1212 C CA -0.931 58.132 59.018 0.074 0.000 1.234 1212 C CB 1.255 29.056 27.740 0.102 0.000 1.551 1212 C HN 0.521 nan 8.230 nan 0.000 0.501 1213 R N 1.039 121.550 120.500 0.019 0.000 2.127 1213 R HA -0.127 4.215 4.340 0.003 0.000 0.238 1213 R C 0.814 177.138 176.300 0.040 0.000 1.134 1213 R CA 2.630 58.727 56.100 -0.005 0.000 0.975 1213 R CB -0.650 29.620 30.300 -0.051 0.000 0.865 1213 R HN 0.838 nan 8.270 nan 0.000 0.447 1214 D N 1.422 121.862 120.400 0.067 0.000 2.123 1214 D HA -0.170 4.472 4.640 0.003 0.000 0.196 1214 D C 1.310 177.680 176.300 0.116 0.000 0.992 1214 D CA 1.609 55.667 54.000 0.096 0.000 0.833 1214 D CB -0.332 40.528 40.800 0.100 0.000 0.954 1214 D HN 0.296 nan 8.370 nan 0.000 0.455 1215 D N 0.088 120.557 120.400 0.114 0.000 2.182 1215 D HA -0.113 4.529 4.640 0.003 0.000 0.201 1215 D C 2.126 178.549 176.300 0.206 0.000 0.986 1215 D CA 0.514 54.600 54.000 0.144 0.000 0.847 1215 D CB -0.202 40.673 40.800 0.124 0.000 0.942 1215 D HN 0.321 nan 8.370 nan 0.000 0.467 1216 I N 0.356 121.039 120.570 0.188 0.000 2.142 1216 I HA -0.256 3.916 4.170 0.003 0.000 0.240 1216 I C 2.587 178.829 176.117 0.208 0.000 1.078 1216 I CA 0.803 62.258 61.300 0.258 0.000 1.343 1216 I CB -0.269 37.821 38.000 0.150 0.000 1.046 1216 I HN -0.007 nan 8.210 nan 0.000 0.405 1217 M N 0.739 120.421 119.600 0.137 0.000 2.065 1217 M HA -0.221 4.261 4.480 0.003 0.000 0.259 1217 M C 2.375 178.758 176.300 0.139 0.000 1.071 1217 M CA 2.047 57.424 55.300 0.128 0.000 1.109 1217 M CB -0.097 32.605 32.600 0.171 0.000 1.313 1217 M HN 0.028 nan 8.290 nan 0.000 0.408 1218 V N -0.100 119.912 119.914 0.164 0.000 2.392 1218 V HA -0.290 3.832 4.120 0.003 0.000 0.249 1218 V C 2.224 178.423 176.094 0.174 0.000 1.059 1218 V CA 2.104 64.499 62.300 0.158 0.000 1.051 1218 V CB -1.176 30.735 31.823 0.146 0.000 0.658 1218 V HN 0.657 nan 8.190 nan 0.000 0.455 1219 Y N 0.311 120.646 120.300 0.058 0.000 2.200 1219 Y HA -0.129 4.422 4.550 0.003 0.000 0.290 1219 Y C 2.140 178.046 175.900 0.010 0.000 1.137 1219 Y CA 1.414 59.532 58.100 0.030 0.000 1.163 1219 Y CB -0.257 38.182 38.460 -0.034 0.000 0.988 1219 Y HN 0.144 nan 8.280 nan 0.000 0.518 1220 L N -0.443 120.691 121.223 -0.148 0.000 2.046 1220 L HA -0.219 4.123 4.340 0.003 0.000 0.208 1220 L C 2.432 179.143 176.870 -0.265 0.000 1.077 1220 L CA 1.427 56.086 54.840 -0.302 0.000 0.747 1220 L CB -0.572 41.395 42.059 -0.154 0.000 0.896 1220 L HN 0.259 nan 8.230 nan 0.000 0.432 1221 I N -1.215 119.282 120.570 -0.121 0.000 2.127 1221 I HA -0.374 3.798 4.170 0.003 0.000 0.241 1221 I C 2.584 178.641 176.117 -0.100 0.000 1.075 1221 I CA 1.574 62.812 61.300 -0.104 0.000 1.334 1221 I CB -0.433 37.565 38.000 -0.003 0.000 1.040 1221 I HN 0.168 nan 8.210 nan 0.000 0.405 1222 Y N 1.790 121.998 120.300 -0.153 0.000 2.114 1222 Y HA -0.283 4.268 4.550 0.003 0.000 0.282 1222 Y C 2.471 178.244 175.900 -0.212 0.000 1.165 1222 Y CA 1.643 59.659 58.100 -0.139 0.000 1.148 1222 Y CB -0.224 38.187 38.460 -0.083 0.000 0.972 1222 Y HN -0.030 nan 8.280 nan 0.000 0.504 1223 R N 0.458 120.731 120.500 -0.379 0.000 2.377 1223 R HA 0.001 4.343 4.340 0.003 0.000 0.207 1223 R C 1.661 177.746 176.300 -0.359 0.000 1.075 1223 R CA 0.791 56.617 56.100 -0.456 0.000 1.035 1223 R CB -1.122 28.812 30.300 -0.608 0.000 0.857 1223 R HN 0.725 nan 8.270 nan 0.000 0.475 1224 G N -0.675 107.897 108.800 -0.380 0.000 2.195 1224 G HA2 -0.249 3.713 3.960 0.003 0.000 0.224 1224 G HA3 -0.249 3.713 3.960 0.003 0.000 0.224 1224 G C -0.032 174.476 174.900 -0.654 0.000 0.990 1224 G CA -0.108 44.768 45.100 -0.374 0.000 0.639 1224 G HN 0.184 nan 8.290 nan 0.000 0.514 1225 L N 1.072 121.848 121.223 -0.744 0.000 2.476 1225 L HA 0.540 4.881 4.340 0.003 0.000 0.264 1225 L C 0.915 177.578 176.870 -0.344 0.000 1.224 1225 L CA -0.038 54.445 54.840 -0.596 0.000 0.821 1225 L CB 0.497 42.303 42.059 -0.422 0.000 1.101 1225 L HN 0.352 nan 8.230 nan 0.000 0.488 1226 E N 2.571 122.614 120.200 -0.262 0.000 2.344 1226 E HA 0.117 4.468 4.350 0.003 0.000 0.270 1226 E C -1.973 174.450 176.600 -0.295 0.000 1.021 1226 E CA -1.217 55.044 56.400 -0.232 0.000 0.887 1226 E CB 0.996 30.595 29.700 -0.169 0.000 0.997 1226 E HN 0.271 nan 8.360 nan 0.000 0.429 1227 P HA -0.248 nan 4.420 nan 0.000 0.216 1227 P C 1.137 178.031 177.300 -0.677 0.000 1.153 1227 P CA 2.055 64.776 63.100 -0.631 0.000 0.858 1227 P CB 0.017 31.060 31.700 -1.095 0.000 0.789 1228 S N -0.847 114.448 115.700 -0.675 0.000 2.383 1228 S HA -0.183 4.288 4.470 0.003 0.000 0.229 1228 S C 1.906 176.501 174.600 -0.007 0.000 1.030 1228 S CA 1.317 59.376 58.200 -0.236 0.000 1.002 1228 S CB -1.573 61.548 63.200 -0.131 0.000 0.829 1228 S HN 0.034 nan 8.310 nan 0.000 0.467 1229 L N 1.901 123.062 121.223 -0.103 0.000 2.109 1229 L HA 0.287 4.629 4.340 0.003 0.000 0.207 1229 L C 2.672 179.440 176.870 -0.169 0.000 1.086 1229 L CA 1.542 56.316 54.840 -0.111 0.000 0.760 1229 L CB -1.209 40.779 42.059 -0.120 0.000 0.910 1229 L HN 0.345 nan 8.230 nan 0.000 0.437 1230 A N -0.605 122.135 122.820 -0.135 0.000 1.908 1230 A HA -0.274 4.048 4.320 0.003 0.000 0.218 1230 A C 2.279 179.857 177.584 -0.009 0.000 1.181 1230 A CA 1.923 53.900 52.037 -0.100 0.000 0.627 1230 A CB -1.243 17.716 19.000 -0.067 0.000 0.818 1230 A HN 0.576 nan 8.150 nan 0.000 0.445 1231 F N 1.348 121.287 119.950 -0.018 0.000 2.069 1231 F HA -0.156 4.372 4.527 0.003 0.000 0.298 1231 F C 2.655 178.433 175.800 -0.037 0.000 1.113 1231 F CA 2.977 61.011 58.000 0.056 0.000 1.214 1231 F CB -0.541 38.602 39.000 0.238 0.000 0.978 1231 F HN 0.264 nan 8.300 nan 0.000 0.474 1232 K N 0.881 121.249 120.400 -0.053 0.000 2.103 1232 K HA -0.137 4.185 4.320 0.003 0.000 0.207 1232 K C 2.011 178.380 176.600 -0.385 0.000 1.048 1232 K CA 2.156 58.325 56.287 -0.195 0.000 0.930 1232 K CB -1.578 30.914 32.500 -0.014 0.000 0.716 1232 K HN 0.621 nan 8.250 nan 0.000 0.444 1233 I N -0.172 120.081 120.570 -0.528 0.000 2.286 1233 I HA -0.168 4.003 4.170 0.003 0.000 0.245 1233 I C 2.845 178.800 176.117 -0.270 0.000 1.104 1233 I CA 1.395 62.342 61.300 -0.587 0.000 1.397 1233 I CB -0.124 37.522 38.000 -0.589 0.000 1.072 1233 I HN 0.455 nan 8.210 nan 0.000 0.417 1234 M N 0.822 120.279 119.600 -0.239 0.000 2.065 1234 M HA -0.252 4.229 4.480 0.003 0.000 0.259 1234 M C 2.195 178.355 176.300 -0.234 0.000 1.069 1234 M CA 1.942 57.133 55.300 -0.181 0.000 1.110 1234 M CB -0.224 32.286 32.600 -0.148 0.000 1.328 1234 M HN 0.101 nan 8.290 nan 0.000 0.405 1235 E N 0.058 120.020 120.200 -0.396 0.000 2.160 1235 E HA -0.191 4.160 4.350 0.003 0.000 0.195 1235 E C 2.067 178.572 176.600 -0.158 0.000 0.991 1235 E CA 1.573 57.771 56.400 -0.337 0.000 0.810 1235 E CB -0.554 28.851 29.700 -0.492 0.000 0.742 1235 E HN 0.588 nan 8.360 nan 0.000 0.466 1236 S N 0.468 116.110 115.700 -0.097 0.000 2.345 1236 S HA -0.121 4.350 4.470 0.003 0.000 0.220 1236 S C 2.161 176.763 174.600 0.003 0.000 1.031 1236 S CA 1.429 59.643 58.200 0.023 0.000 0.996 1236 S CB -0.269 63.053 63.200 0.204 0.000 0.882 1236 S HN 0.219 nan 8.310 nan 0.000 0.445 1237 V N 3.152 123.055 119.914 -0.019 0.000 2.427 1237 V HA -0.102 4.020 4.120 0.003 0.000 0.248 1237 V C 2.312 178.371 176.094 -0.059 0.000 1.051 1237 V CA 2.309 64.595 62.300 -0.024 0.000 1.048 1237 V CB -0.936 30.870 31.823 -0.027 0.000 0.666 1237 V HN 0.727 nan 8.190 nan 0.000 0.456 1238 R N 0.821 121.261 120.500 -0.100 0.000 2.280 1238 R HA 0.062 4.403 4.340 0.003 0.000 0.207 1238 R C 1.778 177.998 176.300 -0.133 0.000 1.043 1238 R CA 1.333 57.332 56.100 -0.169 0.000 1.006 1238 R CB -0.863 29.317 30.300 -0.200 0.000 0.885 1238 R HN 0.493 nan 8.270 nan 0.000 0.467 1239 K N 0.395 120.768 120.400 -0.044 0.000 2.387 1239 K HA 0.230 4.552 4.320 0.003 0.000 0.198 1239 K C 0.282 176.910 176.600 0.046 0.000 1.022 1239 K CA 0.388 56.693 56.287 0.029 0.000 1.128 1239 K CB 0.726 33.239 32.500 0.021 0.000 0.853 1239 K HN 0.391 nan 8.250 nan 0.000 0.523 1240 G N 2.421 111.235 108.800 0.024 0.000 2.323 1240 G HA2 -0.318 3.644 3.960 0.003 0.000 0.292 1240 G HA3 -0.318 3.644 3.960 0.003 0.000 0.292 1240 G C 0.328 175.243 174.900 0.025 0.000 1.040 1240 G CA 0.498 45.616 45.100 0.030 0.000 0.942 1240 G HN 0.353 nan 8.290 nan 0.000 0.506 1241 K N -0.338 120.076 120.400 0.024 0.000 2.358 1241 K HA 0.426 4.747 4.320 0.003 0.000 0.197 1241 K C 1.895 178.515 176.600 0.033 0.000 1.025 1241 K CA 0.388 56.691 56.287 0.026 0.000 1.104 1241 K CB 0.383 32.900 32.500 0.029 0.000 0.855 1241 K HN 1.289 nan 8.250 nan 0.000 0.531 1242 G N 1.444 110.267 108.800 0.039 0.000 2.552 1242 G HA2 -0.280 3.681 3.960 0.003 0.000 0.265 1242 G HA3 -0.280 3.681 3.960 0.003 0.000 0.265 1242 G C -1.030 173.932 174.900 0.104 0.000 1.234 1242 G CA -0.554 44.575 45.100 0.048 0.000 0.944 1242 G HN 0.062 nan 8.290 nan 0.000 0.568 1243 L N 1.110 122.389 121.223 0.094 0.000 2.386 1243 L HA 0.687 5.028 4.340 0.003 0.000 0.271 1243 L C 1.142 178.001 176.870 -0.019 0.000 0.993 1243 L CA 0.111 55.051 54.840 0.168 0.000 0.819 1243 L CB 1.436 43.597 42.059 0.171 0.000 1.294 1243 L HN 1.259 nan 8.230 nan 0.000 0.414 1244 T N 0.021 114.411 114.554 -0.275 0.000 2.899 1244 T HA 0.399 4.750 4.350 0.003 0.000 0.284 1244 T C -1.943 172.637 174.700 -0.199 0.000 1.004 1244 T CA -1.598 60.276 62.100 -0.377 0.000 1.043 1244 T CB 1.058 69.485 68.868 -0.735 0.000 1.013 1244 T HN 0.406 nan 8.240 nan 0.000 0.518 1245 P HA -0.136 nan 4.420 nan 0.000 0.216 1245 P C 1.229 178.510 177.300 -0.031 0.000 1.154 1245 P CA 1.213 64.277 63.100 -0.060 0.000 0.865 1245 P CB 0.053 31.717 31.700 -0.061 0.000 0.789 1246 E N -1.493 118.660 120.200 -0.078 0.000 2.051 1246 E HA -0.153 4.199 4.350 0.003 0.000 0.192 1246 E C 1.852 178.563 176.600 0.184 0.000 0.991 1246 E CA 1.086 57.495 56.400 0.015 0.000 0.799 1246 E CB -1.048 28.641 29.700 -0.018 0.000 0.748 1246 E HN 0.200 nan 8.360 nan 0.000 0.449 1247 F N 1.550 121.501 119.950 0.002 0.000 2.095 1247 F HA -0.140 4.388 4.527 0.002 0.000 0.298 1247 F C 2.073 177.879 175.800 0.011 0.000 1.104 1247 F CA 1.172 59.175 58.000 0.005 0.000 1.232 1247 F CB -1.108 37.894 39.000 0.003 0.000 0.987 1247 F HN 0.125 nan 8.300 nan 0.000 0.475 1248 E N 0.168 120.492 120.200 0.207 0.000 2.038 1248 E HA -0.222 4.129 4.350 0.003 0.000 0.195 1248 E C 2.427 179.080 176.600 0.088 0.000 1.000 1248 E CA 1.323 57.794 56.400 0.117 0.000 0.803 1248 E CB -0.426 29.317 29.700 0.071 0.000 0.750 1248 E HN 0.317 nan 8.360 nan 0.000 0.448 1249 A N 1.767 124.633 122.820 0.078 0.000 1.908 1249 A HA -0.224 4.097 4.320 0.003 0.000 0.218 1249 A C 2.021 179.646 177.584 0.068 0.000 1.181 1249 A CA 1.347 53.417 52.037 0.055 0.000 0.627 1249 A CB -0.362 18.663 19.000 0.040 0.000 0.818 1249 A HN 0.111 nan 8.150 nan 0.000 0.445 1250 E N -0.584 119.678 120.200 0.102 0.000 2.153 1250 E HA -0.173 4.179 4.350 0.003 0.000 0.194 1250 E C 2.022 178.696 176.600 0.123 0.000 0.988 1250 E CA 1.303 57.775 56.400 0.121 0.000 0.811 1250 E CB -0.322 29.443 29.700 0.107 0.000 0.746 1250 E HN 0.744 nan 8.360 nan 0.000 0.466 1251 M N -0.264 119.384 119.600 0.079 0.000 2.156 1251 M HA -0.078 4.403 4.480 0.003 0.000 0.264 1251 M C 2.363 178.683 176.300 0.033 0.000 1.067 1251 M CA 1.203 56.527 55.300 0.040 0.000 1.131 1251 M CB -0.088 32.539 32.600 0.045 0.000 1.368 1251 M HN -0.087 nan 8.290 nan 0.000 0.416 1252 R N 0.519 121.038 120.500 0.031 0.000 2.081 1252 R HA -0.171 4.170 4.340 0.003 0.000 0.235 1252 R C 2.144 178.434 176.300 -0.016 0.000 1.131 1252 R CA 1.611 57.715 56.100 0.007 0.000 0.960 1252 R CB -0.323 29.982 30.300 0.009 0.000 0.856 1252 R HN 0.188 nan 8.270 nan 0.000 0.436 1253 K N -0.016 120.372 120.400 -0.020 0.000 2.218 1253 K HA -0.190 4.131 4.320 0.003 0.000 0.205 1253 K C 0.557 177.007 176.600 -0.249 0.000 1.046 1253 K CA 1.781 58.001 56.287 -0.111 0.000 0.933 1253 K CB -0.082 32.366 32.500 -0.086 0.000 0.728 1253 K HN 0.332 nan 8.250 nan 0.000 0.454 1254 H N 0.313 119.336 119.070 -0.079 0.000 2.486 1254 H HA 0.190 4.748 4.556 0.003 0.000 0.284 1254 H C -0.680 174.573 175.328 -0.125 0.000 1.103 1254 H CA 0.269 56.248 56.048 -0.114 0.000 1.089 1254 H CB 0.577 30.248 29.762 -0.151 0.000 1.603 1254 H HN 0.307 nan 8.280 nan 0.000 0.557 1255 D N -0.659 119.728 120.400 -0.023 0.000 3.090 1255 D HA -0.155 4.487 4.640 0.003 0.000 0.215 1255 D C -0.377 175.905 176.300 -0.029 0.000 1.140 1255 D CA 0.400 54.385 54.000 -0.025 0.000 0.937 1255 D CB -1.552 39.234 40.800 -0.023 0.000 1.108 1255 D HN 0.163 nan 8.370 nan 0.000 0.420 1256 V N 1.607 121.489 119.914 -0.054 0.000 2.485 1256 V HA 0.134 4.256 4.120 0.003 0.000 0.287 1256 V C -1.498 174.545 176.094 -0.086 0.000 1.022 1256 V CA -0.624 61.624 62.300 -0.087 0.000 1.067 1256 V CB 0.524 32.285 31.823 -0.103 0.000 0.967 1256 V HN -0.038 nan 8.190 nan 0.000 0.479 1257 P HA 0.110 nan 4.420 nan 0.000 0.269 1257 P C 0.625 177.808 177.300 -0.195 0.000 1.215 1257 P CA -0.248 62.760 63.100 -0.154 0.000 0.780 1257 P CB 0.821 32.365 31.700 -0.259 0.000 0.898 1258 E N 1.441 121.624 120.200 -0.029 0.000 2.265 1258 E HA -0.138 4.213 4.350 0.003 0.000 0.196 1258 E C 1.373 178.011 176.600 0.065 0.000 0.996 1258 E CA 1.198 57.614 56.400 0.026 0.000 0.832 1258 E CB -0.455 29.292 29.700 0.078 0.000 0.756 1258 E HN 0.626 nan 8.360 nan 0.000 0.491 1259 W N -0.840 120.517 121.300 0.095 0.000 2.518 1259 W HA -0.103 4.559 4.660 0.002 0.000 0.273 1259 W C 1.482 178.052 176.519 0.085 0.000 1.247 1259 W CA 0.345 57.731 57.345 0.068 0.000 1.288 1259 W CB -1.067 28.422 29.460 0.048 0.000 1.107 1259 W HN 0.098 nan 8.180 nan 0.000 0.586 1260 Y N 1.824 121.594 120.300 -0.884 0.000 2.184 1260 Y HA -0.108 4.444 4.550 0.003 0.000 0.290 1260 Y C 2.663 178.401 175.900 -0.269 0.000 1.129 1260 Y CA 2.488 60.088 58.100 -0.834 0.000 1.144 1260 Y CB -0.639 37.125 38.460 -1.161 0.000 0.995 1260 Y HN -0.248 nan 8.280 nan 0.000 0.513 1261 I N 0.433 121.018 120.570 0.024 0.000 2.151 1261 I HA -0.366 3.805 4.170 0.003 0.000 0.243 1261 I C 2.080 178.205 176.117 0.013 0.000 1.080 1261 I CA 2.167 63.501 61.300 0.057 0.000 1.339 1261 I CB -0.418 37.612 38.000 0.051 0.000 1.039 1261 I HN 0.307 nan 8.210 nan 0.000 0.409 1262 D N -0.293 120.121 120.400 0.023 0.000 2.178 1262 D HA -0.189 4.452 4.640 0.003 0.000 0.202 1262 D C 2.248 178.557 176.300 0.014 0.000 0.974 1262 D CA 1.285 55.306 54.000 0.036 0.000 0.841 1262 D CB 0.083 40.927 40.800 0.073 0.000 0.953 1262 D HN 0.152 nan 8.370 nan 0.000 0.478 1263 S N -1.350 114.345 115.700 -0.007 0.000 2.387 1263 S HA -0.131 4.340 4.470 0.003 0.000 0.226 1263 S C 2.146 176.684 174.600 -0.104 0.000 1.026 1263 S CA 1.127 59.302 58.200 -0.041 0.000 0.972 1263 S CB -0.697 62.489 63.200 -0.022 0.000 0.814 1263 S HN 0.521 nan 8.310 nan 0.000 0.477 1264 C N 1.571 120.777 119.300 -0.156 0.000 2.413 1264 C HA 0.008 4.470 4.460 0.003 0.000 0.277 1264 C C 2.552 177.523 174.990 -0.032 0.000 1.265 1264 C CA 0.953 59.909 59.018 -0.104 0.000 1.752 1264 C CB -1.157 26.547 27.740 -0.060 0.000 1.998 1264 C HN 0.630 nan 8.230 nan 0.000 0.489 1265 K N 0.469 120.863 120.400 -0.011 0.000 2.288 1265 K HA -0.084 4.237 4.320 0.003 0.000 0.201 1265 K C 1.978 178.579 176.600 0.001 0.000 1.048 1265 K CA 0.945 57.236 56.287 0.007 0.000 0.956 1265 K CB -0.026 32.484 32.500 0.015 0.000 0.746 1265 K HN 0.523 nan 8.250 nan 0.000 0.461 1266 K N 0.623 121.019 120.400 -0.007 0.000 2.098 1266 K HA 0.092 4.414 4.320 0.003 0.000 0.203 1266 K C 0.458 177.058 176.600 0.000 0.000 1.051 1266 K CA 0.239 56.525 56.287 -0.003 0.000 0.957 1266 K CB 0.139 32.636 32.500 -0.005 0.000 0.738 1266 K HN 0.019 nan 8.250 nan 0.000 0.447 1267 I N 2.753 123.318 120.570 -0.008 0.000 2.742 1267 I HA -0.153 4.019 4.170 0.003 0.000 0.287 1267 I C 1.202 177.326 176.117 0.011 0.000 1.186 1267 I CA 0.282 61.580 61.300 -0.004 0.000 1.417 1267 I CB 0.511 38.492 38.000 -0.033 0.000 1.377 1267 I HN 0.069 nan 8.210 nan 0.000 0.556 1268 K N 5.785 126.208 120.400 0.039 0.000 2.323 1268 K HA 0.103 4.425 4.320 0.003 0.000 0.197 1268 K C -0.378 176.304 176.600 0.136 0.000 1.043 1268 K CA 0.619 56.945 56.287 0.066 0.000 0.997 1268 K CB 0.351 32.886 32.500 0.060 0.000 0.807 1268 K HN 0.603 nan 8.250 nan 0.000 0.497 1269 Y N -0.475 119.816 120.300 -0.016 0.000 2.565 1269 Y HA 0.474 5.026 4.550 0.003 0.000 0.330 1269 Y C -1.897 173.986 175.900 -0.029 0.000 1.150 1269 Y CA -1.218 56.873 58.100 -0.016 0.000 1.055 1269 Y CB 1.445 39.895 38.460 -0.016 0.000 1.337 1269 Y HN -0.104 nan 8.280 nan 0.000 0.457 1270 M N 5.934 124.779 119.600 -1.259 0.000 2.322 1270 M HA 0.468 4.949 4.480 0.003 0.000 0.285 1270 M C -1.792 174.113 176.300 -0.658 0.000 1.119 1270 M CA -0.464 54.371 55.300 -0.774 0.000 0.953 1270 M CB 1.057 33.472 32.600 -0.307 0.000 1.701 1270 M HN 0.550 nan 8.290 nan 0.000 0.479 1271 F N 4.334 124.059 119.950 -0.376 0.000 2.628 1271 F HA 0.240 4.768 4.527 0.003 0.000 0.346 1271 F C -1.901 173.819 175.800 -0.134 0.000 1.188 1271 F CA -1.070 56.821 58.000 -0.182 0.000 1.376 1271 F CB -0.435 38.538 39.000 -0.044 0.000 1.104 1271 F HN 0.336 nan 8.300 nan 0.000 0.616 1272 P HA 0.139 nan 4.420 nan 0.000 0.292 1272 P C 0.383 177.728 177.300 0.075 0.000 1.283 1272 P CA -0.587 62.553 63.100 0.068 0.000 0.835 1272 P CB 1.222 32.950 31.700 0.047 0.000 1.017 1273 K N 2.486 122.933 120.400 0.078 0.000 2.127 1273 K HA -0.224 4.098 4.320 0.003 0.000 0.208 1273 K C 1.741 178.347 176.600 0.011 0.000 1.047 1273 K CA 2.042 58.367 56.287 0.064 0.000 0.927 1273 K CB -0.530 32.014 32.500 0.074 0.000 0.716 1273 K HN 0.526 nan 8.250 nan 0.000 0.450 1274 A N -0.046 122.783 122.820 0.015 0.000 1.969 1274 A HA -0.206 4.115 4.320 0.003 0.000 0.218 1274 A C 1.853 179.390 177.584 -0.079 0.000 1.169 1274 A CA 1.822 53.849 52.037 -0.016 0.000 0.635 1274 A CB -0.675 18.339 19.000 0.022 0.000 0.810 1274 A HN 0.547 nan 8.150 nan 0.000 0.445 1275 H N -0.153 118.778 119.070 -0.230 0.000 2.326 1275 H HA 0.066 4.624 4.556 0.002 0.000 0.301 1275 H C 2.218 177.244 175.328 -0.504 0.000 1.081 1275 H CA 1.901 57.672 56.048 -0.461 0.000 1.334 1275 H CB -0.221 29.099 29.762 -0.736 0.000 1.385 1275 H HN 0.378 nan 8.280 nan 0.000 0.504 1276 A N 0.808 123.445 122.820 -0.305 0.000 1.917 1276 A HA -0.194 4.128 4.320 0.003 0.000 0.219 1276 A C 2.551 180.065 177.584 -0.117 0.000 1.182 1276 A CA 2.051 54.009 52.037 -0.133 0.000 0.633 1276 A CB -1.375 17.693 19.000 0.115 0.000 0.819 1276 A HN 0.645 nan 8.150 nan 0.000 0.448 1277 A N -0.494 122.247 122.820 -0.133 0.000 1.897 1277 A HA 0.288 4.610 4.320 0.003 0.000 0.215 1277 A C 2.518 180.112 177.584 0.016 0.000 1.181 1277 A CA 1.781 53.751 52.037 -0.113 0.000 0.620 1277 A CB -1.060 17.726 19.000 -0.356 0.000 0.821 1277 A HN 1.060 nan 8.150 nan 0.000 0.443 1278 A N -0.811 121.977 122.820 -0.053 0.000 1.859 1278 A HA -0.177 4.144 4.320 0.003 0.000 0.217 1278 A C 2.110 179.748 177.584 0.090 0.000 1.198 1278 A CA 1.897 53.937 52.037 0.006 0.000 0.629 1278 A CB -1.009 17.949 19.000 -0.070 0.000 0.830 1278 A HN 0.536 nan 8.150 nan 0.000 0.446 1279 Y N -0.123 120.008 120.300 -0.282 0.000 2.181 1279 Y HA -0.149 4.403 4.550 0.002 0.000 0.288 1279 Y C 2.746 178.663 175.900 0.029 0.000 1.146 1279 Y CA 0.877 58.867 58.100 -0.183 0.000 1.164 1279 Y CB -0.964 37.327 38.460 -0.281 0.000 0.982 1279 Y HN 0.087 nan 8.280 nan 0.000 0.515 1280 V N -0.225 119.797 119.914 0.180 0.000 2.343 1280 V HA -0.278 3.844 4.120 0.003 0.000 0.247 1280 V C 2.406 178.609 176.094 0.182 0.000 1.051 1280 V CA 1.567 63.936 62.300 0.114 0.000 1.036 1280 V CB -1.012 30.649 31.823 -0.270 0.000 0.654 1280 V HN 0.339 nan 8.190 nan 0.000 0.451 1281 L N -0.665 120.758 121.223 0.333 0.000 2.043 1281 L HA -0.209 4.133 4.340 0.003 0.000 0.212 1281 L C 2.238 179.253 176.870 0.241 0.000 1.075 1281 L CA 2.295 57.397 54.840 0.435 0.000 0.752 1281 L CB -0.586 41.714 42.059 0.401 0.000 0.891 1281 L HN 0.255 nan 8.230 nan 0.000 0.432 1282 M N -0.686 119.009 119.600 0.159 0.000 2.132 1282 M HA -0.008 4.474 4.480 0.003 0.000 0.263 1282 M C 2.221 178.618 176.300 0.161 0.000 1.065 1282 M CA 1.815 57.175 55.300 0.101 0.000 1.122 1282 M CB -0.682 31.902 32.600 -0.026 0.000 1.365 1282 M HN 0.356 nan 8.290 nan 0.000 0.411 1283 A N -1.239 121.706 122.820 0.209 0.000 1.933 1283 A HA -0.099 4.222 4.320 0.003 0.000 0.218 1283 A C 2.203 179.967 177.584 0.300 0.000 1.175 1283 A CA 1.850 54.066 52.037 0.298 0.000 0.628 1283 A CB -1.033 18.238 19.000 0.451 0.000 0.814 1283 A HN 0.326 nan 8.150 nan 0.000 0.444 1284 V N -0.482 119.584 119.914 0.254 0.000 2.488 1284 V HA -0.179 3.943 4.120 0.003 0.000 0.246 1284 V C 2.569 178.810 176.094 0.246 0.000 1.046 1284 V CA 1.885 64.337 62.300 0.253 0.000 1.053 1284 V CB -0.721 31.227 31.823 0.209 0.000 0.679 1284 V HN 0.515 nan 8.190 nan 0.000 0.458 1285 R N -0.084 120.551 120.500 0.225 0.000 2.080 1285 R HA -0.139 4.202 4.340 0.003 0.000 0.236 1285 R C 2.239 178.787 176.300 0.413 0.000 1.137 1285 R CA 1.942 58.191 56.100 0.249 0.000 0.943 1285 R CB -0.455 29.966 30.300 0.203 0.000 0.846 1285 R HN 0.418 nan 8.270 nan 0.000 0.431 1286 I N 0.479 121.262 120.570 0.355 0.000 2.163 1286 I HA -0.294 3.877 4.170 0.003 0.000 0.243 1286 I C 2.596 178.900 176.117 0.312 0.000 1.085 1286 I CA 1.325 62.858 61.300 0.387 0.000 1.347 1286 I CB -0.491 37.687 38.000 0.296 0.000 1.044 1286 I HN 0.240 nan 8.210 nan 0.000 0.408 1287 A N 0.251 123.183 122.820 0.187 0.000 1.948 1287 A HA -0.312 4.009 4.320 0.003 0.000 0.220 1287 A C 2.308 179.889 177.584 -0.005 0.000 1.177 1287 A CA 1.861 53.899 52.037 0.002 0.000 0.636 1287 A CB -1.168 17.871 19.000 0.065 0.000 0.815 1287 A HN 0.598 nan 8.150 nan 0.000 0.449 1288 Y N -0.832 119.476 120.300 0.014 0.000 2.224 1288 Y HA -0.213 4.339 4.550 0.003 0.000 0.289 1288 Y C 1.808 177.638 175.900 -0.117 0.000 1.146 1288 Y CA 2.010 60.069 58.100 -0.070 0.000 1.182 1288 Y CB -0.334 38.068 38.460 -0.097 0.000 0.983 1288 Y HN 0.278 nan 8.280 nan 0.000 0.524 1289 F N 0.463 120.497 119.950 0.139 0.000 2.234 1289 F HA -0.021 4.508 4.527 0.003 0.000 0.296 1289 F C 2.493 178.200 175.800 -0.156 0.000 1.089 1289 F CA 1.528 59.591 58.000 0.106 0.000 1.343 1289 F CB -0.483 38.656 39.000 0.231 0.000 1.040 1289 F HN -0.095 nan 8.300 nan 0.000 0.498 1290 K N 0.420 120.664 120.400 -0.259 0.000 2.103 1290 K HA -0.147 4.175 4.320 0.003 0.000 0.207 1290 K C 1.793 178.097 176.600 -0.493 0.000 1.048 1290 K CA 1.524 57.325 56.287 -0.810 0.000 0.930 1290 K CB -0.127 31.601 32.500 -1.286 0.000 0.716 1290 K HN 0.150 nan 8.250 nan 0.000 0.444 1291 V N -0.017 119.615 119.914 -0.470 0.000 2.426 1291 V HA -0.111 4.011 4.120 0.003 0.000 0.242 1291 V C 2.000 177.770 176.094 -0.540 0.000 1.036 1291 V CA 1.286 63.268 62.300 -0.530 0.000 1.044 1291 V CB -0.344 31.049 31.823 -0.717 0.000 0.688 1291 V HN 0.379 nan 8.190 nan 0.000 0.462 1292 H N -1.083 117.683 119.070 -0.506 0.000 2.547 1292 H HA 0.219 4.777 4.556 0.003 0.000 0.272 1292 H C 0.413 175.244 175.328 -0.829 0.000 0.971 1292 H CA 0.758 56.372 56.048 -0.723 0.000 1.245 1292 H CB 0.354 29.465 29.762 -1.085 0.000 1.440 1292 H HN 0.479 nan 8.280 nan 0.000 0.540 1293 H N 0.059 119.121 119.070 -0.013 0.000 2.616 1293 H HA 0.144 4.702 4.556 0.002 0.000 0.229 1293 H C -1.832 173.522 175.328 0.044 0.000 1.418 1293 H CA -1.581 54.515 56.048 0.080 0.000 1.248 1293 H CB 1.265 31.160 29.762 0.221 0.000 1.822 1293 H HN 0.180 nan 8.280 nan 0.000 0.522 1294 P HA -0.209 nan 4.420 nan 0.000 0.216 1294 P C 1.786 178.987 177.300 -0.165 0.000 1.157 1294 P CA 0.933 63.988 63.100 -0.075 0.000 0.880 1294 P CB 0.717 32.495 31.700 0.129 0.000 0.791 1295 L N -1.976 119.094 121.223 -0.255 0.000 2.156 1295 L HA -0.133 4.209 4.340 0.003 0.000 0.208 1295 L C 2.506 179.348 176.870 -0.047 0.000 1.095 1295 L CA 0.938 55.616 54.840 -0.270 0.000 0.770 1295 L CB -0.665 41.173 42.059 -0.368 0.000 0.914 1295 L HN -0.073 nan 8.230 nan 0.000 0.439 1296 L N -1.359 119.878 121.223 0.023 0.000 2.046 1296 L HA -0.261 4.080 4.340 0.003 0.000 0.208 1296 L C 2.340 179.214 176.870 0.008 0.000 1.077 1296 L CA 1.693 56.557 54.840 0.041 0.000 0.747 1296 L CB -1.141 40.981 42.059 0.105 0.000 0.896 1296 L HN 0.182 nan 8.230 nan 0.000 0.432 1297 Y N -0.710 119.520 120.300 -0.117 0.000 2.128 1297 Y HA -0.337 4.214 4.550 0.003 0.000 0.284 1297 Y C 2.435 178.186 175.900 -0.248 0.000 1.154 1297 Y CA 1.651 59.616 58.100 -0.226 0.000 1.149 1297 Y CB -0.567 37.665 38.460 -0.379 0.000 0.976 1297 Y HN 0.185 nan 8.280 nan 0.000 0.505 1298 Y N -0.618 119.618 120.300 -0.107 0.000 2.220 1298 Y HA -0.097 4.455 4.550 0.003 0.000 0.291 1298 Y C 2.685 178.575 175.900 -0.018 0.000 1.129 1298 Y CA 0.722 58.733 58.100 -0.149 0.000 1.161 1298 Y CB -0.817 37.699 38.460 0.093 0.000 0.997 1298 Y HN 0.207 nan 8.280 nan 0.000 0.522 1299 A N 0.379 123.281 122.820 0.136 0.000 1.883 1299 A HA -0.283 4.039 4.320 0.003 0.000 0.217 1299 A C 2.451 180.070 177.584 0.059 0.000 1.186 1299 A CA 2.452 54.577 52.037 0.146 0.000 0.624 1299 A CB -1.294 17.774 19.000 0.114 0.000 0.822 1299 A HN 0.511 nan 8.150 nan 0.000 0.444 1300 S N -1.760 113.908 115.700 -0.054 0.000 2.382 1300 S HA -0.249 4.223 4.470 0.003 0.000 0.228 1300 S C 1.948 176.438 174.600 -0.183 0.000 1.027 1300 S CA 1.563 59.697 58.200 -0.110 0.000 0.991 1300 S CB -0.846 62.254 63.200 -0.166 0.000 0.823 1300 S HN 0.626 nan 8.310 nan 0.000 0.469 1301 Y N 1.693 121.728 120.300 -0.442 0.000 2.089 1301 Y HA -0.076 4.475 4.550 0.002 0.000 0.282 1301 Y C 1.832 177.462 175.900 -0.450 0.000 1.139 1301 Y CA 1.901 59.656 58.100 -0.574 0.000 1.123 1301 Y CB -0.616 37.277 38.460 -0.945 0.000 0.980 1301 Y HN 0.272 nan 8.280 nan 0.000 0.493 1302 F N -0.760 119.134 119.950 -0.092 0.000 2.407 1302 F HA -0.115 4.414 4.527 0.002 0.000 0.299 1302 F C 2.400 178.145 175.800 -0.092 0.000 1.097 1302 F CA 1.510 59.349 58.000 -0.269 0.000 1.422 1302 F CB -1.066 37.338 39.000 -0.994 0.000 1.067 1302 F HN -0.033 nan 8.300 nan 0.000 0.539 1303 T N -0.635 114.013 114.554 0.158 0.000 2.770 1303 T HA -0.065 4.286 4.350 0.003 0.000 0.263 1303 T C 2.207 176.983 174.700 0.126 0.000 1.039 1303 T CA 1.390 63.668 62.100 0.297 0.000 1.142 1303 T CB -0.377 68.635 68.868 0.240 0.000 0.868 1303 T HN 0.021 nan 8.240 nan 0.000 0.435 1304 V N 1.093 120.988 119.914 -0.033 0.000 2.426 1304 V HA 0.051 4.173 4.120 0.003 0.000 0.242 1304 V C 2.421 178.416 176.094 -0.165 0.000 1.036 1304 V CA 1.252 63.504 62.300 -0.080 0.000 1.044 1304 V CB -0.331 31.430 31.823 -0.103 0.000 0.688 1304 V HN 0.315 nan 8.190 nan 0.000 0.462 1305 R N 0.517 120.791 120.500 -0.376 0.000 2.156 1305 R HA 0.357 4.699 4.340 0.003 0.000 0.207 1305 R C 1.005 177.082 176.300 -0.371 0.000 1.040 1305 R CA 0.681 56.501 56.100 -0.466 0.000 1.013 1305 R CB -0.028 29.793 30.300 -0.799 0.000 0.931 1305 R HN 0.414 nan 8.270 nan 0.000 0.465 1306 A N 1.602 124.221 122.820 -0.335 0.000 2.327 1306 A HA 0.213 4.535 4.320 0.003 0.000 0.283 1306 A C 0.030 177.542 177.584 -0.121 0.000 1.127 1306 A CA -0.245 51.670 52.037 -0.204 0.000 0.810 1306 A CB 0.620 19.607 19.000 -0.021 0.000 1.066 1306 A HN 0.280 nan 8.150 nan 0.000 0.492 1307 E N 0.271 120.288 120.200 -0.305 0.000 2.712 1307 E HA 0.086 4.437 4.350 0.003 0.000 0.221 1307 E C -1.103 175.317 176.600 -0.300 0.000 0.943 1307 E CA -0.063 56.243 56.400 -0.156 0.000 1.259 1307 E CB 0.756 30.427 29.700 -0.048 0.000 1.167 1307 E HN 0.740 nan 8.360 nan 0.000 0.569 1308 D N 0.367 120.388 120.400 -0.631 0.000 2.593 1308 D HA 0.338 4.979 4.640 0.003 0.000 0.251 1308 D C -0.941 174.971 176.300 -0.646 0.000 1.140 1308 D CA -0.171 53.583 54.000 -0.411 0.000 0.855 1308 D CB 1.468 42.150 40.800 -0.196 0.000 1.267 1308 D HN -0.123 nan 8.370 nan 0.000 0.532 1309 F N 0.463 120.442 119.950 0.048 0.000 2.603 1309 F HA 0.242 4.770 4.527 0.002 0.000 0.317 1309 F C 0.291 176.090 175.800 -0.000 0.000 1.066 1309 F CA -0.993 57.020 58.000 0.021 0.000 0.941 1309 F CB 1.938 40.951 39.000 0.021 0.000 1.291 1309 F HN 0.020 nan 8.300 nan 0.000 0.472 1310 D N 2.446 122.946 120.400 0.167 0.000 2.432 1310 D HA 0.288 4.929 4.640 0.003 0.000 0.265 1310 D C 0.565 176.890 176.300 0.041 0.000 1.160 1310 D CA -0.001 54.053 54.000 0.091 0.000 0.911 1310 D CB 0.829 41.656 40.800 0.045 0.000 1.052 1310 D HN 0.523 nan 8.370 nan 0.000 0.508 1311 L N 1.796 123.051 121.223 0.054 0.000 2.093 1311 L HA -0.118 4.224 4.340 0.003 0.000 0.208 1311 L C 1.566 178.413 176.870 -0.038 0.000 1.085 1311 L CA 0.834 55.654 54.840 -0.034 0.000 0.755 1311 L CB 0.036 42.096 42.059 0.001 0.000 0.904 1311 L HN 0.279 nan 8.230 nan 0.000 0.435 1312 D N 0.212 120.617 120.400 0.008 0.000 2.144 1312 D HA -0.162 4.479 4.640 0.003 0.000 0.199 1312 D C 2.181 178.471 176.300 -0.017 0.000 0.984 1312 D CA 1.466 55.461 54.000 -0.009 0.000 0.834 1312 D CB 0.006 40.804 40.800 -0.002 0.000 0.955 1312 D HN 0.327 nan 8.370 nan 0.000 0.465 1313 A N 0.730 123.540 122.820 -0.017 0.000 1.855 1313 A HA -0.151 4.170 4.320 0.003 0.000 0.215 1313 A C 2.300 179.859 177.584 -0.041 0.000 1.191 1313 A CA 1.401 53.427 52.037 -0.018 0.000 0.613 1313 A CB -0.600 18.394 19.000 -0.010 0.000 0.829 1313 A HN 0.120 nan 8.150 nan 0.000 0.442 1314 M N -0.613 118.917 119.600 -0.117 0.000 2.080 1314 M HA -0.150 4.331 4.480 0.003 0.000 0.260 1314 M C 2.099 178.354 176.300 -0.075 0.000 1.068 1314 M CA 1.756 56.908 55.300 -0.248 0.000 1.109 1314 M CB -0.625 31.555 32.600 -0.701 0.000 1.342 1314 M HN 0.397 nan 8.290 nan 0.000 0.405 1315 I N -0.169 120.374 120.570 -0.046 0.000 2.226 1315 I HA -0.299 3.873 4.170 0.003 0.000 0.245 1315 I C 2.494 178.648 176.117 0.062 0.000 1.100 1315 I CA 1.359 62.696 61.300 0.062 0.000 1.374 1315 I CB -0.475 37.542 38.000 0.028 0.000 1.057 1315 I HN 0.241 nan 8.210 nan 0.000 0.413 1316 K N 0.744 121.161 120.400 0.027 0.000 2.103 1316 K HA -0.044 4.277 4.320 0.003 0.000 0.207 1316 K C 1.037 177.662 176.600 0.041 0.000 1.048 1316 K CA 1.061 57.364 56.287 0.026 0.000 0.930 1316 K CB -0.260 32.247 32.500 0.012 0.000 0.716 1316 K HN 0.556 nan 8.250 nan 0.000 0.444 1317 G N -0.844 107.990 108.800 0.056 0.000 2.466 1317 G HA2 -0.222 3.740 3.960 0.003 0.000 0.316 1317 G HA3 -0.222 3.740 3.960 0.003 0.000 0.316 1317 G C 0.528 175.460 174.900 0.052 0.000 1.270 1317 G CA -0.133 45.011 45.100 0.073 0.000 0.982 1317 G HN 0.037 nan 8.290 nan 0.000 0.506 1318 S N -0.169 115.560 115.700 0.049 0.000 2.412 1318 S HA -0.252 4.220 4.470 0.003 0.000 0.246 1318 S C 2.959 177.575 174.600 0.027 0.000 1.073 1318 S CA 3.665 61.887 58.200 0.037 0.000 1.186 1318 S CB -0.894 62.321 63.200 0.025 0.000 1.084 1318 S HN 1.943 nan 8.310 nan 0.000 0.434 1319 A N 0.988 123.820 122.820 0.021 0.000 1.908 1319 A HA 0.056 4.378 4.320 0.003 0.000 0.218 1319 A C 2.352 179.945 177.584 0.015 0.000 1.181 1319 A CA 2.063 54.109 52.037 0.016 0.000 0.627 1319 A CB -1.131 17.876 19.000 0.012 0.000 0.818 1319 A HN 0.621 nan 8.150 nan 0.000 0.445 1320 A N -0.129 122.701 122.820 0.016 0.000 1.898 1320 A HA -0.056 4.266 4.320 0.003 0.000 0.216 1320 A C 2.122 179.714 177.584 0.013 0.000 1.181 1320 A CA 1.495 53.540 52.037 0.013 0.000 0.620 1320 A CB -0.593 18.413 19.000 0.010 0.000 0.819 1320 A HN 0.500 nan 8.150 nan 0.000 0.442 1321 I N -1.091 119.489 120.570 0.017 0.000 2.142 1321 I HA -0.258 3.914 4.170 0.003 0.000 0.240 1321 I C 2.693 178.822 176.117 0.020 0.000 1.078 1321 I CA 1.701 63.011 61.300 0.017 0.000 1.343 1321 I CB -0.369 37.648 38.000 0.027 0.000 1.046 1321 I HN 0.329 nan 8.210 nan 0.000 0.405 1322 R N 1.280 121.793 120.500 0.022 0.000 2.103 1322 R HA -0.263 4.079 4.340 0.003 0.000 0.242 1322 R C 2.329 178.639 176.300 0.017 0.000 1.142 1322 R CA 1.931 58.043 56.100 0.020 0.000 0.960 1322 R CB -0.168 30.143 30.300 0.018 0.000 0.858 1322 R HN 0.244 nan 8.270 nan 0.000 0.439 1323 K N -0.318 120.091 120.400 0.015 0.000 2.097 1323 K HA -0.135 4.187 4.320 0.003 0.000 0.206 1323 K C 2.195 178.803 176.600 0.014 0.000 1.049 1323 K CA 1.035 57.330 56.287 0.013 0.000 0.933 1323 K CB 0.055 32.562 32.500 0.011 0.000 0.717 1323 K HN -0.009 nan 8.250 nan 0.000 0.442 1324 R N 0.910 121.418 120.500 0.014 0.000 2.073 1324 R HA -0.037 4.305 4.340 0.003 0.000 0.234 1324 R C 2.196 178.506 176.300 0.016 0.000 1.134 1324 R CA 1.212 57.321 56.100 0.015 0.000 0.952 1324 R CB -0.770 29.539 30.300 0.016 0.000 0.850 1324 R HN 0.326 nan 8.270 nan 0.000 0.433 1325 I N 0.695 121.276 120.570 0.018 0.000 2.163 1325 I HA -0.296 3.876 4.170 0.003 0.000 0.243 1325 I C 2.031 178.158 176.117 0.017 0.000 1.085 1325 I CA 1.553 62.865 61.300 0.020 0.000 1.347 1325 I CB -0.315 37.698 38.000 0.023 0.000 1.044 1325 I HN 0.246 nan 8.210 nan 0.000 0.408 1326 E N 0.492 120.701 120.200 0.016 0.000 2.110 1326 E HA -0.241 4.111 4.350 0.003 0.000 0.193 1326 E C 2.073 178.681 176.600 0.013 0.000 0.988 1326 E CA 1.084 57.492 56.400 0.014 0.000 0.804 1326 E CB -0.033 29.675 29.700 0.013 0.000 0.745 1326 E HN 0.475 nan 8.360 nan 0.000 0.458 1327 E N 0.306 120.514 120.200 0.013 0.000 2.085 1327 E HA -0.194 4.157 4.350 0.003 0.000 0.194 1327 E C 1.982 178.589 176.600 0.012 0.000 0.994 1327 E CA 0.972 57.379 56.400 0.012 0.000 0.801 1327 E CB -0.005 29.703 29.700 0.012 0.000 0.743 1327 E HN 0.304 nan 8.360 nan 0.000 0.453 1328 I N 0.696 121.274 120.570 0.013 0.000 2.333 1328 I HA -0.198 3.974 4.170 0.003 0.000 0.246 1328 I C 1.879 178.004 176.117 0.013 0.000 1.106 1328 I CA 0.723 62.030 61.300 0.012 0.000 1.411 1328 I CB -0.292 37.716 38.000 0.013 0.000 1.082 1328 I HN 0.106 nan 8.210 nan 0.000 0.420 1329 N N 1.220 119.929 118.700 0.014 0.000 2.061 1329 N HA -0.225 4.516 4.740 0.003 0.000 0.193 1329 N C 1.986 177.504 175.510 0.013 0.000 1.030 1329 N CA 1.287 54.346 53.050 0.015 0.000 0.856 1329 N CB -0.221 38.276 38.487 0.017 0.000 1.023 1329 N HN 0.334 nan 8.380 nan 0.000 0.424 1330 A N 1.396 124.223 122.820 0.012 0.000 2.032 1330 A HA -0.191 4.131 4.320 0.003 0.000 0.221 1330 A C 1.849 179.439 177.584 0.010 0.000 1.165 1330 A CA 1.429 53.472 52.037 0.011 0.000 0.645 1330 A CB -0.235 18.771 19.000 0.011 0.000 0.807 1330 A HN 0.264 nan 8.150 nan 0.000 0.453 1331 K N -1.045 119.360 120.400 0.009 0.000 2.426 1331 K HA 0.227 4.549 4.320 0.003 0.000 0.193 1331 K C 1.418 178.021 176.600 0.006 0.000 1.028 1331 K CA 0.352 56.643 56.287 0.007 0.000 1.047 1331 K CB -0.229 32.274 32.500 0.006 0.000 0.821 1331 K HN 0.576 nan 8.250 nan 0.000 0.513 1332 G N 2.616 111.421 108.800 0.008 0.000 2.594 1332 G HA2 -0.355 3.606 3.960 0.003 0.000 0.297 1332 G HA3 -0.355 3.606 3.960 0.003 0.000 0.297 1332 G C 0.808 175.710 174.900 0.004 0.000 1.273 1332 G CA 0.520 45.625 45.100 0.008 0.000 0.974 1332 G HN 0.422 nan 8.290 nan 0.000 0.552 1333 I N -1.316 119.255 120.570 0.001 0.000 3.334 1333 I HA 0.147 4.319 4.170 0.003 0.000 0.282 1333 I C 1.749 177.861 176.117 -0.009 0.000 1.313 1333 I CA 1.701 62.998 61.300 -0.005 0.000 1.396 1333 I CB -0.238 37.757 38.000 -0.009 0.000 1.054 1333 I HN 0.465 nan 8.210 nan 0.000 0.495 1334 Q N 1.852 121.649 119.800 -0.005 0.000 2.247 1334 Q HA 0.397 4.739 4.340 0.003 0.000 0.205 1334 Q C 0.667 176.664 176.000 -0.006 0.000 0.896 1334 Q CA -0.202 55.596 55.803 -0.008 0.000 0.950 1334 Q CB 0.481 29.215 28.738 -0.006 0.000 1.054 1334 Q HN 0.676 nan 8.270 nan 0.000 0.482 1335 A N 1.423 124.241 122.820 -0.004 0.000 2.371 1335 A HA 0.308 4.630 4.320 0.003 0.000 0.257 1335 A C 0.558 178.139 177.584 -0.005 0.000 1.089 1335 A CA -0.367 51.669 52.037 -0.002 0.000 0.794 1335 A CB 0.383 19.384 19.000 0.001 0.000 1.029 1335 A HN 0.262 nan 8.150 nan 0.000 0.488 1336 T N -0.476 114.075 114.554 -0.004 0.000 2.913 1336 T HA 0.451 4.803 4.350 0.003 0.000 0.297 1336 T C 1.333 176.030 174.700 -0.006 0.000 1.029 1336 T CA 0.012 62.109 62.100 -0.006 0.000 1.104 1336 T CB 1.166 70.032 68.868 -0.003 0.000 0.964 1336 T HN 1.427 nan 8.240 nan 0.000 0.532 1337 A N 2.537 125.351 122.820 -0.009 0.000 2.009 1337 A HA -0.186 4.136 4.320 0.003 0.000 0.222 1337 A C 2.294 179.873 177.584 -0.009 0.000 1.175 1337 A CA 1.609 53.640 52.037 -0.009 0.000 0.651 1337 A CB -0.693 18.300 19.000 -0.011 0.000 0.815 1337 A HN 0.766 nan 8.150 nan 0.000 0.459 1338 K N -0.424 119.971 120.400 -0.008 0.000 2.116 1338 K HA -0.024 4.298 4.320 0.003 0.000 0.203 1338 K C 1.798 178.392 176.600 -0.009 0.000 1.052 1338 K CA 1.434 57.715 56.287 -0.010 0.000 0.952 1338 K CB -0.447 32.050 32.500 -0.004 0.000 0.729 1338 K HN 0.728 nan 8.250 nan 0.000 0.446 1339 E N 0.708 120.906 120.200 -0.003 0.000 2.106 1339 E HA -0.118 4.233 4.350 0.003 0.000 0.192 1339 E C 1.873 178.473 176.600 -0.000 0.000 0.984 1339 E CA 1.115 57.515 56.400 -0.000 0.000 0.806 1339 E CB 0.096 29.798 29.700 0.003 0.000 0.750 1339 E HN 0.216 nan 8.360 nan 0.000 0.458 1340 K N 0.109 120.508 120.400 -0.001 0.000 2.057 1340 K HA -0.041 4.280 4.320 0.003 0.000 0.206 1340 K C 2.372 178.972 176.600 0.000 0.000 1.050 1340 K CA 1.077 57.365 56.287 0.002 0.000 0.935 1340 K CB -0.011 32.490 32.500 0.002 0.000 0.715 1340 K HN -0.062 nan 8.250 nan 0.000 0.439 1341 S N 1.545 117.239 115.700 -0.011 0.000 2.356 1341 S HA -0.149 4.323 4.470 0.003 0.000 0.223 1341 S C 1.825 176.405 174.600 -0.033 0.000 1.032 1341 S CA 1.048 59.234 58.200 -0.023 0.000 1.005 1341 S CB -0.277 62.899 63.200 -0.040 0.000 0.867 1341 S HN 0.173 nan 8.310 nan 0.000 0.449 1342 L N 1.945 123.147 121.223 -0.034 0.000 1.990 1342 L HA -0.086 4.255 4.340 0.003 0.000 0.213 1342 L C 2.140 179.008 176.870 -0.003 0.000 1.072 1342 L CA 1.622 56.441 54.840 -0.034 0.000 0.755 1342 L CB -0.991 41.057 42.059 -0.018 0.000 0.889 1342 L HN 0.323 nan 8.230 nan 0.000 0.432 1343 L N -0.840 120.388 121.223 0.008 0.000 2.013 1343 L HA -0.250 4.091 4.340 0.003 0.000 0.212 1343 L C 2.340 179.230 176.870 0.032 0.000 1.073 1343 L CA 2.671 57.524 54.840 0.021 0.000 0.753 1343 L CB -1.335 40.736 42.059 0.019 0.000 0.890 1343 L HN 0.407 nan 8.230 nan 0.000 0.432 1344 T N -0.686 113.888 114.554 0.033 0.000 2.635 1344 T HA -0.249 4.103 4.350 0.003 0.000 0.267 1344 T C 1.953 176.696 174.700 0.071 0.000 1.040 1344 T CA 2.441 64.572 62.100 0.052 0.000 1.156 1344 T CB -0.777 68.127 68.868 0.061 0.000 0.863 1344 T HN 0.450 nan 8.240 nan 0.000 0.430 1345 V N 0.926 120.893 119.914 0.087 0.000 2.515 1345 V HA -0.035 4.087 4.120 0.003 0.000 0.250 1345 V C 2.183 178.387 176.094 0.184 0.000 1.058 1345 V CA 1.478 63.884 62.300 0.177 0.000 1.064 1345 V CB -0.863 31.055 31.823 0.160 0.000 0.675 1345 V HN 0.523 nan 8.190 nan 0.000 0.461 1346 L N -0.077 121.206 121.223 0.100 0.000 2.093 1346 L HA -0.112 4.229 4.340 0.003 0.000 0.208 1346 L C 2.824 179.745 176.870 0.084 0.000 1.085 1346 L CA 2.077 56.968 54.840 0.086 0.000 0.755 1346 L CB -0.755 41.332 42.059 0.046 0.000 0.904 1346 L HN 0.385 nan 8.230 nan 0.000 0.435 1347 E N -0.245 119.992 120.200 0.061 0.000 2.130 1347 E HA -0.261 4.090 4.350 0.003 0.000 0.196 1347 E C 2.218 178.849 176.600 0.052 0.000 0.998 1347 E CA 1.752 58.180 56.400 0.046 0.000 0.806 1347 E CB -0.126 29.591 29.700 0.030 0.000 0.738 1347 E HN 0.404 nan 8.360 nan 0.000 0.459 1348 V N -0.223 119.716 119.914 0.041 0.000 2.788 1348 V HA 0.019 4.140 4.120 0.003 0.000 0.251 1348 V C 2.014 178.212 176.094 0.174 0.000 1.068 1348 V CA 1.497 63.814 62.300 0.028 0.000 1.090 1348 V CB 0.090 31.716 31.823 -0.327 0.000 0.710 1348 V HN 0.240 nan 8.190 nan 0.000 0.467 1349 A N 0.683 123.698 122.820 0.326 0.000 1.883 1349 A HA -0.172 4.150 4.320 0.003 0.000 0.217 1349 A C 2.161 179.849 177.584 0.173 0.000 1.186 1349 A CA 2.277 54.516 52.037 0.337 0.000 0.624 1349 A CB -0.794 18.304 19.000 0.163 0.000 0.822 1349 A HN 0.720 nan 8.150 nan 0.000 0.444 1350 L N -0.068 121.221 121.223 0.109 0.000 2.056 1350 L HA -0.126 4.216 4.340 0.003 0.000 0.207 1350 L C 2.259 179.160 176.870 0.052 0.000 1.078 1350 L CA 2.670 57.554 54.840 0.073 0.000 0.749 1350 L CB -0.541 41.550 42.059 0.054 0.000 0.901 1350 L HN 0.589 nan 8.230 nan 0.000 0.433 1351 E N -0.463 119.767 120.200 0.050 0.000 2.058 1351 E HA -0.320 4.031 4.350 0.003 0.000 0.194 1351 E C 2.251 178.861 176.600 0.018 0.000 0.997 1351 E CA 1.940 58.375 56.400 0.059 0.000 0.801 1351 E CB -0.288 29.483 29.700 0.117 0.000 0.746 1351 E HN 0.640 nan 8.360 nan 0.000 0.450 1352 M N 0.284 119.763 119.600 -0.202 0.000 2.080 1352 M HA -0.218 4.263 4.480 0.003 0.000 0.260 1352 M C 2.351 178.635 176.300 -0.027 0.000 1.068 1352 M CA 1.890 56.916 55.300 -0.457 0.000 1.109 1352 M CB -0.213 31.863 32.600 -0.873 0.000 1.342 1352 M HN 0.319 nan 8.290 nan 0.000 0.405 1353 C N 0.860 120.164 119.300 0.007 0.000 2.432 1353 C HA -0.094 4.368 4.460 0.003 0.000 0.277 1353 C C 2.514 177.507 174.990 0.007 0.000 1.249 1353 C CA 0.804 59.843 59.018 0.035 0.000 1.725 1353 C CB -1.211 26.572 27.740 0.072 0.000 2.028 1353 C HN 0.571 nan 8.230 nan 0.000 0.477 1354 E N 0.697 120.907 120.200 0.016 0.000 2.204 1354 E HA -0.126 4.226 4.350 0.003 0.000 0.195 1354 E C 2.117 178.707 176.600 -0.016 0.000 0.990 1354 E CA 0.818 57.219 56.400 0.001 0.000 0.821 1354 E CB -0.398 29.312 29.700 0.016 0.000 0.750 1354 E HN 0.632 nan 8.360 nan 0.000 0.477 1355 R N -0.552 119.961 120.500 0.021 0.000 2.313 1355 R HA 0.041 4.383 4.340 0.003 0.000 0.199 1355 R C 1.085 177.223 176.300 -0.270 0.000 0.958 1355 R CA 0.703 56.810 56.100 0.012 0.000 1.047 1355 R CB 0.430 30.887 30.300 0.263 0.000 0.955 1355 R HN 0.258 nan 8.270 nan 0.000 0.481 1356 G N -0.048 108.569 108.800 -0.305 0.000 2.192 1356 G HA2 -0.215 3.746 3.960 0.003 0.000 0.193 1356 G HA3 -0.215 3.746 3.960 0.003 0.000 0.193 1356 G C 0.043 174.616 174.900 -0.544 0.000 0.999 1356 G CA -0.560 44.261 45.100 -0.464 0.000 0.659 1356 G HN 0.186 nan 8.290 nan 0.000 0.503 1357 F N 1.278 121.199 119.950 -0.049 0.000 2.452 1357 F HA 0.839 5.367 4.527 0.002 0.000 0.353 1357 F C 1.000 176.716 175.800 -0.139 0.000 1.089 1357 F CA -0.020 57.926 58.000 -0.090 0.000 1.080 1357 F CB 1.707 40.644 39.000 -0.104 0.000 1.399 1357 F HN 0.463 nan 8.300 nan 0.000 0.492 1358 S N -0.880 114.820 115.700 -0.001 0.000 2.636 1358 S HA 0.668 5.140 4.470 0.003 0.000 0.268 1358 S C -1.700 172.737 174.600 -0.272 0.000 1.159 1358 S CA -1.035 57.110 58.200 -0.092 0.000 0.815 1358 S CB 1.201 64.413 63.200 0.020 0.000 1.130 1358 S HN 0.300 nan 8.310 nan 0.000 0.471 1359 F N 1.460 121.417 119.950 0.011 0.000 2.458 1359 F HA 0.593 5.122 4.527 0.003 0.000 0.336 1359 F C 0.702 176.499 175.800 -0.005 0.000 1.114 1359 F CA -0.710 57.288 58.000 -0.004 0.000 0.987 1359 F CB 1.803 40.781 39.000 -0.037 0.000 1.130 1359 F HN 0.359 nan 8.300 nan 0.000 0.458 1360 K N 1.734 122.223 120.400 0.148 0.000 2.090 1360 K HA 0.333 4.655 4.320 0.003 0.000 0.249 1360 K C -0.453 176.178 176.600 0.052 0.000 0.995 1360 K CA -0.890 55.443 56.287 0.076 0.000 0.914 1360 K CB 1.024 33.547 32.500 0.038 0.000 1.057 1360 K HN 0.572 nan 8.250 nan 0.000 0.462 1361 N N 0.188 118.901 118.700 0.021 0.000 2.340 1361 N HA 0.013 4.754 4.740 0.003 0.000 0.236 1361 N C 0.016 175.503 175.510 -0.038 0.000 1.296 1361 N CA -0.193 52.854 53.050 -0.005 0.000 0.896 1361 N CB 0.143 38.624 38.487 -0.009 0.000 1.127 1361 N HN 0.330 nan 8.380 nan 0.000 0.442 1362 I N 0.839 121.379 120.570 -0.050 0.000 2.880 1362 I HA -0.142 4.030 4.170 0.003 0.000 0.296 1362 I C 0.232 176.305 176.117 -0.074 0.000 1.220 1362 I CA 1.127 62.360 61.300 -0.112 0.000 1.435 1362 I CB 0.105 38.081 38.000 -0.040 0.000 1.339 1362 I HN 0.463 nan 8.210 nan 0.000 0.583 1363 D N 5.829 126.149 120.400 -0.134 0.000 2.620 1363 D HA 0.111 4.752 4.640 0.003 0.000 0.252 1363 D C 0.501 176.804 176.300 0.005 0.000 1.207 1363 D CA -0.588 53.393 54.000 -0.032 0.000 0.884 1363 D CB 1.386 42.177 40.800 -0.015 0.000 1.262 1363 D HN 0.311 nan 8.370 nan 0.000 0.552 1364 L N 4.413 125.684 121.223 0.080 0.000 2.081 1364 L HA -0.164 4.177 4.340 0.003 0.000 0.212 1364 L C 0.935 177.803 176.870 -0.004 0.000 1.080 1364 L CA 1.971 56.850 54.840 0.065 0.000 0.754 1364 L CB -0.590 41.381 42.059 -0.146 0.000 0.893 1364 L HN 0.552 nan 8.230 nan 0.000 0.433 1365 Y N -2.171 118.240 120.300 0.185 0.000 2.442 1365 Y HA 0.206 4.758 4.550 0.003 0.000 0.250 1365 Y C 2.226 178.177 175.900 0.086 0.000 1.113 1365 Y CA 0.024 58.212 58.100 0.148 0.000 1.273 1365 Y CB 0.193 38.714 38.460 0.102 0.000 1.138 1365 Y HN 0.044 nan 8.280 nan 0.000 0.522 1366 R N -1.187 119.405 120.500 0.154 0.000 2.316 1366 R HA 0.228 4.570 4.340 0.003 0.000 0.201 1366 R C 0.495 176.769 176.300 -0.042 0.000 0.888 1366 R CA 0.073 56.211 56.100 0.064 0.000 1.041 1366 R CB 0.381 30.709 30.300 0.048 0.000 1.115 1366 R HN -0.092 nan 8.270 nan 0.000 0.559 1367 S N 1.954 117.552 115.700 -0.170 0.000 2.549 1367 S HA 0.068 4.539 4.470 0.003 0.000 0.286 1367 S C 0.153 174.562 174.600 -0.319 0.000 1.314 1367 S CA -0.031 57.912 58.200 -0.430 0.000 1.062 1367 S CB 0.824 63.445 63.200 -0.965 0.000 0.865 1367 S HN 0.054 nan 8.310 nan 0.000 0.498 1368 Q N 1.119 120.773 119.800 -0.244 0.000 2.169 1368 Q HA 0.516 4.857 4.340 0.003 0.000 0.234 1368 Q C 1.318 177.305 176.000 -0.021 0.000 0.980 1368 Q CA -0.434 55.334 55.803 -0.060 0.000 0.941 1368 Q CB 0.596 29.315 28.738 -0.031 0.000 1.199 1368 Q HN 0.696 nan 8.270 nan 0.000 0.496 1369 A N 0.236 123.119 122.820 0.105 0.000 1.841 1369 A HA -0.137 4.184 4.320 0.003 0.000 0.214 1369 A C 1.514 179.132 177.584 0.056 0.000 1.195 1369 A CA 2.527 54.656 52.037 0.153 0.000 0.611 1369 A CB -0.468 18.604 19.000 0.120 0.000 0.835 1369 A HN 0.787 nan 8.150 nan 0.000 0.443 1370 T N -3.808 110.763 114.554 0.029 0.000 3.087 1370 T HA 0.289 4.641 4.350 0.003 0.000 0.283 1370 T C 0.093 174.821 174.700 0.046 0.000 0.956 1370 T CA 0.275 62.394 62.100 0.032 0.000 0.894 1370 T CB -0.000 68.910 68.868 0.070 0.000 1.160 1370 T HN 0.444 nan 8.240 nan 0.000 0.532 1371 E N 0.795 121.005 120.200 0.018 0.000 2.166 1371 E HA 0.478 4.830 4.350 0.003 0.000 0.275 1371 E C -1.311 175.310 176.600 0.034 0.000 0.941 1371 E CA -1.076 55.376 56.400 0.088 0.000 0.784 1371 E CB 0.892 30.638 29.700 0.076 0.000 1.115 1371 E HN 0.316 nan 8.360 nan 0.000 0.399 1372 F N 4.161 124.137 119.950 0.043 0.000 2.502 1372 F HA 0.089 4.618 4.527 0.002 0.000 0.371 1372 F C 0.388 176.206 175.800 0.030 0.000 1.083 1372 F CA -0.508 57.517 58.000 0.043 0.000 1.174 1372 F CB 0.661 39.740 39.000 0.131 0.000 1.096 1372 F HN 0.209 nan 8.300 nan 0.000 0.545 1373 V N 2.854 122.835 119.914 0.112 0.000 2.716 1373 V HA 0.473 4.594 4.120 0.003 0.000 0.304 1373 V C 0.020 176.160 176.094 0.076 0.000 1.053 1373 V CA -1.175 61.170 62.300 0.075 0.000 0.984 1373 V CB 1.606 33.442 31.823 0.023 0.000 1.021 1373 V HN 0.503 nan 8.190 nan 0.000 0.467 1374 I N 2.547 123.152 120.570 0.058 0.000 2.395 1374 I HA 0.412 4.584 4.170 0.003 0.000 0.289 1374 I C -0.415 175.724 176.117 0.037 0.000 1.023 1374 I CA 0.446 61.772 61.300 0.043 0.000 1.350 1374 I CB 1.049 39.071 38.000 0.036 0.000 1.409 1374 I HN 0.752 nan 8.210 nan 0.000 0.507 1375 D N 5.156 125.578 120.400 0.036 0.000 2.473 1375 D HA 0.444 5.086 4.640 0.003 0.000 0.253 1375 D C 0.564 176.893 176.300 0.049 0.000 1.233 1375 D CA 0.513 54.535 54.000 0.037 0.000 0.908 1375 D CB 1.248 42.066 40.800 0.029 0.000 1.170 1375 D HN 0.698 nan 8.370 nan 0.000 0.558 1376 G N 4.821 113.654 108.800 0.056 0.000 2.698 1376 G HA2 -0.385 3.577 3.960 0.003 0.000 0.337 1376 G HA3 -0.385 3.577 3.960 0.003 0.000 0.337 1376 G C 0.817 175.785 174.900 0.113 0.000 1.196 1376 G CA 0.444 45.588 45.100 0.072 0.000 0.965 1376 G HN 0.568 nan 8.290 nan 0.000 0.550 1377 N N 1.589 120.369 118.700 0.132 0.000 2.275 1377 N HA 0.405 5.146 4.740 0.003 0.000 0.236 1377 N C -0.317 175.325 175.510 0.220 0.000 1.154 1377 N CA 0.621 53.825 53.050 0.257 0.000 0.866 1377 N CB 0.887 39.497 38.487 0.205 0.000 1.093 1377 N HN 0.389 nan 8.380 nan 0.000 0.515 1378 S N -0.171 115.582 115.700 0.089 0.000 2.638 1378 S HA 0.584 5.056 4.470 0.003 0.000 0.302 1378 S C -0.282 174.292 174.600 -0.044 0.000 1.096 1378 S CA -0.611 57.590 58.200 0.001 0.000 0.953 1378 S CB 2.088 65.292 63.200 0.007 0.000 1.107 1378 S HN 0.023 nan 8.310 nan 0.000 0.503 1379 L N 1.934 123.075 121.223 -0.138 0.000 2.309 1379 L HA 0.562 4.903 4.340 0.003 0.000 0.282 1379 L C -0.836 176.081 176.870 0.078 0.000 1.036 1379 L CA -0.545 54.292 54.840 -0.005 0.000 0.806 1379 L CB 0.964 43.025 42.059 0.003 0.000 1.220 1379 L HN 0.494 nan 8.230 nan 0.000 0.429 1380 I N 4.980 125.588 120.570 0.064 0.000 2.321 1380 I HA 0.283 4.454 4.170 0.003 0.000 0.291 1380 I C -2.054 173.966 176.117 -0.162 0.000 0.998 1380 I CA -1.983 59.305 61.300 -0.021 0.000 1.227 1380 I CB 1.655 39.617 38.000 -0.064 0.000 1.368 1380 I HN 0.297 nan 8.210 nan 0.000 0.466 1381 P HA 0.233 nan 4.420 nan 0.000 0.275 1381 P C -2.634 174.222 177.300 -0.740 0.000 1.228 1381 P CA -1.637 61.009 63.100 -0.756 0.000 0.786 1381 P CB 0.141 31.537 31.700 -0.507 0.000 0.927 1382 P HA 0.173 nan 4.420 nan 0.000 0.279 1382 P C 0.662 177.672 177.300 -0.484 0.000 1.252 1382 P CA -0.409 62.332 63.100 -0.599 0.000 0.811 1382 P CB 0.566 32.015 31.700 -0.418 0.000 1.035 1383 F N 0.875 120.713 119.950 -0.186 0.000 2.120 1383 F HA -0.236 4.292 4.527 0.002 0.000 0.300 1383 F C 2.241 177.942 175.800 -0.165 0.000 1.095 1383 F CA 2.101 60.009 58.000 -0.154 0.000 1.249 1383 F CB -1.484 37.454 39.000 -0.103 0.000 0.995 1383 F HN 0.373 nan 8.300 nan 0.000 0.480 1384 N N 0.970 119.684 118.700 0.023 0.000 2.609 1384 N HA -0.056 4.685 4.740 0.003 0.000 0.190 1384 N C 1.479 176.963 175.510 -0.042 0.000 1.157 1384 N CA 1.035 54.089 53.050 0.006 0.000 0.918 1384 N CB -0.564 37.947 38.487 0.039 0.000 0.978 1384 N HN 0.284 nan 8.380 nan 0.000 0.448 1385 A N 0.803 123.513 122.820 -0.184 0.000 2.066 1385 A HA 0.159 4.481 4.320 0.003 0.000 0.218 1385 A C 1.197 178.664 177.584 -0.194 0.000 1.157 1385 A CA -0.101 51.749 52.037 -0.311 0.000 0.670 1385 A CB -0.361 18.205 19.000 -0.723 0.000 0.804 1385 A HN 0.310 nan 8.150 nan 0.000 0.453 1386 I N 2.441 122.889 120.570 -0.204 0.000 2.598 1386 I HA 0.082 4.253 4.170 0.003 0.000 0.284 1386 I C -1.950 174.017 176.117 -0.250 0.000 1.140 1386 I CA -1.732 59.365 61.300 -0.338 0.000 1.420 1386 I CB 0.687 38.392 38.000 -0.492 0.000 1.387 1386 I HN 0.125 nan 8.210 nan 0.000 0.553 1387 P HA -0.012 nan 4.420 nan 0.000 0.261 1387 P C 0.808 178.026 177.300 -0.136 0.000 1.183 1387 P CA 0.710 63.747 63.100 -0.106 0.000 0.761 1387 P CB 0.762 32.432 31.700 -0.051 0.000 0.785 1388 G N 2.903 111.662 108.800 -0.068 0.000 2.284 1388 G HA2 -0.260 3.701 3.960 0.003 0.000 0.230 1388 G HA3 -0.260 3.701 3.960 0.003 0.000 0.230 1388 G C -0.063 174.800 174.900 -0.061 0.000 1.021 1388 G CA -0.106 44.958 45.100 -0.059 0.000 0.619 1388 G HN 0.573 nan 8.290 nan 0.000 0.510 1389 L N 2.726 123.898 121.223 -0.085 0.000 2.302 1389 L HA 0.611 4.953 4.340 0.003 0.000 0.285 1389 L C 1.255 178.112 176.870 -0.022 0.000 1.090 1389 L CA 0.049 54.852 54.840 -0.062 0.000 0.866 1389 L CB 0.072 42.083 42.059 -0.081 0.000 1.244 1389 L HN 0.313 nan 8.230 nan 0.000 0.435 1390 G N 1.634 110.428 108.800 -0.011 0.000 2.588 1390 G HA2 0.125 4.087 3.960 0.003 0.000 0.281 1390 G HA3 0.125 4.087 3.960 0.003 0.000 0.281 1390 G C 0.768 175.678 174.900 0.017 0.000 1.236 1390 G CA -0.123 44.983 45.100 0.010 0.000 0.969 1390 G HN 0.561 nan 8.290 nan 0.000 0.504 1391 T N 0.338 114.909 114.554 0.028 0.000 2.778 1391 T HA -0.182 4.169 4.350 0.003 0.000 0.269 1391 T C 2.262 176.976 174.700 0.023 0.000 1.050 1391 T CA 1.397 63.518 62.100 0.034 0.000 1.137 1391 T CB -0.166 68.724 68.868 0.038 0.000 0.860 1391 T HN 0.452 nan 8.240 nan 0.000 0.468 1392 N N 0.610 119.317 118.700 0.011 0.000 2.080 1392 N HA -0.061 4.680 4.740 0.003 0.000 0.189 1392 N C 1.962 177.466 175.510 -0.010 0.000 1.036 1392 N CA 1.018 54.070 53.050 0.003 0.000 0.846 1392 N CB -0.334 38.153 38.487 -0.001 0.000 1.015 1392 N HN 0.197 nan 8.380 nan 0.000 0.423 1393 V N 1.917 121.817 119.914 -0.024 0.000 2.343 1393 V HA -0.199 3.923 4.120 0.003 0.000 0.247 1393 V C 2.500 178.550 176.094 -0.074 0.000 1.051 1393 V CA 1.739 64.005 62.300 -0.056 0.000 1.036 1393 V CB -0.951 30.829 31.823 -0.072 0.000 0.654 1393 V HN 0.314 nan 8.190 nan 0.000 0.451 1394 A N -0.833 121.971 122.820 -0.027 0.000 1.892 1394 A HA -0.351 3.970 4.320 0.003 0.000 0.218 1394 A C 2.179 179.779 177.584 0.026 0.000 1.188 1394 A CA 2.383 54.436 52.037 0.027 0.000 0.631 1394 A CB -0.539 18.523 19.000 0.103 0.000 0.822 1394 A HN 0.619 nan 8.150 nan 0.000 0.447 1395 Q N -1.089 118.727 119.800 0.026 0.000 2.123 1395 Q HA 0.012 4.354 4.340 0.003 0.000 0.199 1395 Q C 2.452 178.458 176.000 0.011 0.000 0.966 1395 Q CA 1.125 56.948 55.803 0.033 0.000 0.845 1395 Q CB -0.355 28.403 28.738 0.032 0.000 0.907 1395 Q HN 0.693 nan 8.270 nan 0.000 0.439 1396 A N 0.965 123.777 122.820 -0.013 0.000 1.883 1396 A HA -0.223 4.099 4.320 0.003 0.000 0.217 1396 A C 2.016 179.585 177.584 -0.025 0.000 1.186 1396 A CA 1.378 53.404 52.037 -0.018 0.000 0.624 1396 A CB -0.766 18.216 19.000 -0.029 0.000 0.822 1396 A HN 0.345 nan 8.150 nan 0.000 0.444 1397 I N -0.532 119.975 120.570 -0.105 0.000 2.208 1397 I HA -0.244 3.928 4.170 0.003 0.000 0.245 1397 I C 2.364 178.480 176.117 -0.001 0.000 1.097 1397 I CA 1.299 62.506 61.300 -0.154 0.000 1.363 1397 I CB -0.325 37.291 38.000 -0.639 0.000 1.051 1397 I HN 0.176 nan 8.210 nan 0.000 0.413 1398 V N 0.454 120.377 119.914 0.014 0.000 2.307 1398 V HA -0.277 3.845 4.120 0.003 0.000 0.245 1398 V C 2.604 178.727 176.094 0.048 0.000 1.045 1398 V CA 1.790 64.144 62.300 0.090 0.000 1.024 1398 V CB -0.733 31.167 31.823 0.127 0.000 0.651 1398 V HN 0.366 nan 8.190 nan 0.000 0.449 1399 R N -0.163 120.355 120.500 0.031 0.000 2.096 1399 R HA -0.215 4.127 4.340 0.003 0.000 0.240 1399 R C 2.372 178.670 176.300 -0.002 0.000 1.139 1399 R CA 1.766 57.876 56.100 0.015 0.000 0.952 1399 R CB -0.512 29.796 30.300 0.014 0.000 0.854 1399 R HN 0.532 nan 8.270 nan 0.000 0.436 1400 A N 1.483 124.311 122.820 0.013 0.000 1.883 1400 A HA -0.222 4.100 4.320 0.003 0.000 0.217 1400 A C 2.086 179.564 177.584 -0.177 0.000 1.186 1400 A CA 1.764 53.797 52.037 -0.007 0.000 0.624 1400 A CB -0.587 18.501 19.000 0.146 0.000 0.822 1400 A HN 0.493 nan 8.150 nan 0.000 0.444 1401 R N -0.101 120.261 120.500 -0.231 0.000 2.276 1401 R HA -0.011 4.331 4.340 0.003 0.000 0.203 1401 R C 1.198 177.396 176.300 -0.169 0.000 1.017 1401 R CA 1.362 57.202 56.100 -0.435 0.000 1.010 1401 R CB -0.274 29.825 30.300 -0.334 0.000 0.900 1401 R HN 0.624 nan 8.270 nan 0.000 0.469 1402 E N 0.728 120.881 120.200 -0.079 0.000 2.230 1402 E HA -0.105 4.246 4.350 0.003 0.000 0.192 1402 E C 1.341 177.915 176.600 -0.044 0.000 0.987 1402 E CA 0.653 57.032 56.400 -0.034 0.000 0.841 1402 E CB 0.130 29.828 29.700 -0.003 0.000 0.783 1402 E HN 0.430 nan 8.360 nan 0.000 0.481 1403 E N 0.541 120.705 120.200 -0.059 0.000 2.150 1403 E HA -0.010 4.342 4.350 0.003 0.000 0.193 1403 E C 0.433 176.995 176.600 -0.062 0.000 0.985 1403 E CA 0.976 57.347 56.400 -0.048 0.000 0.814 1403 E CB 0.370 30.046 29.700 -0.040 0.000 0.752 1403 E HN 0.226 nan 8.360 nan 0.000 0.466 1404 G N -0.178 108.554 108.800 -0.114 0.000 2.378 1404 G HA2 0.049 4.011 3.960 0.003 0.000 0.302 1404 G HA3 0.049 4.011 3.960 0.003 0.000 0.302 1404 G C -1.368 173.400 174.900 -0.220 0.000 1.669 1404 G CA -0.988 44.044 45.100 -0.114 0.000 0.920 1404 G HN -0.004 nan 8.290 nan 0.000 0.697 1405 E N 0.028 120.143 120.200 -0.142 0.000 2.461 1405 E HA 0.204 4.556 4.350 0.003 0.000 0.263 1405 E C -0.339 176.140 176.600 -0.202 0.000 1.143 1405 E CA 0.409 56.730 56.400 -0.131 0.000 0.994 1405 E CB 0.714 30.449 29.700 0.059 0.000 0.973 1405 E HN 0.344 nan 8.360 nan 0.000 0.457 1406 F N 0.663 120.712 119.950 0.166 0.000 2.412 1406 F HA 0.122 4.651 4.527 0.003 0.000 0.348 1406 F C 1.213 177.075 175.800 0.103 0.000 1.102 1406 F CA -0.405 57.644 58.000 0.082 0.000 1.196 1406 F CB 0.513 39.515 39.000 0.005 0.000 1.144 1406 F HN 0.228 nan 8.300 nan 0.000 0.541 1407 L N 1.987 123.363 121.223 0.254 0.000 2.766 1407 L HA 0.263 4.604 4.340 0.003 0.000 0.242 1407 L C -0.064 176.886 176.870 0.132 0.000 1.136 1407 L CA -0.066 54.869 54.840 0.158 0.000 0.933 1407 L CB -0.131 41.993 42.059 0.109 0.000 1.241 1407 L HN 0.710 nan 8.230 nan 0.000 0.522 1408 S N -2.421 113.364 115.700 0.142 0.000 2.614 1408 S HA 0.207 4.679 4.470 0.003 0.000 0.280 1408 S C 0.185 174.809 174.600 0.041 0.000 1.111 1408 S CA -0.984 57.265 58.200 0.081 0.000 0.847 1408 S CB 1.114 64.362 63.200 0.080 0.000 1.079 1408 S HN -0.035 nan 8.310 nan 0.000 0.452 1409 K N 1.466 121.869 120.400 0.005 0.000 2.089 1409 K HA -0.212 4.109 4.320 0.003 0.000 0.210 1409 K C 1.741 178.321 176.600 -0.035 0.000 1.048 1409 K CA 1.983 58.247 56.287 -0.039 0.000 0.926 1409 K CB -0.439 32.044 32.500 -0.029 0.000 0.714 1409 K HN 0.818 nan 8.250 nan 0.000 0.448 1410 E N 1.103 121.316 120.200 0.022 0.000 2.051 1410 E HA -0.214 4.137 4.350 0.003 0.000 0.192 1410 E C 1.861 178.477 176.600 0.026 0.000 0.991 1410 E CA 1.388 57.808 56.400 0.034 0.000 0.799 1410 E CB -0.026 29.725 29.700 0.085 0.000 0.748 1410 E HN 0.201 nan 8.360 nan 0.000 0.449 1411 D N 0.188 120.625 120.400 0.062 0.000 2.104 1411 D HA -0.206 4.436 4.640 0.003 0.000 0.194 1411 D C 2.081 178.439 176.300 0.097 0.000 0.994 1411 D CA 1.010 55.073 54.000 0.105 0.000 0.830 1411 D CB -0.247 40.653 40.800 0.166 0.000 0.959 1411 D HN 0.196 nan 8.370 nan 0.000 0.452 1412 L N 0.697 121.895 121.223 -0.042 0.000 2.043 1412 L HA -0.200 4.142 4.340 0.003 0.000 0.212 1412 L C 2.257 178.945 176.870 -0.304 0.000 1.075 1412 L CA 2.026 56.571 54.840 -0.491 0.000 0.752 1412 L CB -1.024 40.583 42.059 -0.754 0.000 0.891 1412 L HN 0.205 nan 8.230 nan 0.000 0.432 1413 Q N -1.519 118.185 119.800 -0.161 0.000 2.046 1413 Q HA -0.218 4.124 4.340 0.003 0.000 0.200 1413 Q C 2.109 178.070 176.000 -0.065 0.000 0.975 1413 Q CA 1.768 57.504 55.803 -0.112 0.000 0.836 1413 Q CB -0.037 28.662 28.738 -0.066 0.000 0.896 1413 Q HN 0.633 nan 8.270 nan 0.000 0.428 1414 Q N 0.354 120.141 119.800 -0.022 0.000 1.990 1414 Q HA -0.124 4.218 4.340 0.003 0.000 0.200 1414 Q C 2.030 178.039 176.000 0.015 0.000 0.980 1414 Q CA 1.442 57.246 55.803 0.002 0.000 0.832 1414 Q CB -0.434 28.318 28.738 0.023 0.000 0.897 1414 Q HN 0.411 nan 8.270 nan 0.000 0.427 1415 R N 0.032 120.566 120.500 0.056 0.000 2.189 1415 R HA 0.013 4.355 4.340 0.003 0.000 0.218 1415 R C 1.947 178.293 176.300 0.078 0.000 1.074 1415 R CA 1.000 57.153 56.100 0.089 0.000 0.991 1415 R CB -0.166 30.230 30.300 0.159 0.000 0.883 1415 R HN 0.300 nan 8.270 nan 0.000 0.457 1416 G N 0.376 109.186 108.800 0.017 0.000 3.088 1416 G HA2 -0.030 3.931 3.960 0.003 0.000 0.217 1416 G HA3 -0.030 3.931 3.960 0.003 0.000 0.217 1416 G C -0.021 174.825 174.900 -0.091 0.000 1.159 1416 G CA -0.436 44.627 45.100 -0.062 0.000 0.760 1416 G HN -0.012 nan 8.290 nan 0.000 0.550 1417 K N -0.821 119.544 120.400 -0.059 0.000 3.150 1417 K HA -0.134 4.188 4.320 0.003 0.000 0.267 1417 K C -0.189 176.369 176.600 -0.071 0.000 1.028 1417 K CA 0.226 56.483 56.287 -0.051 0.000 0.753 1417 K CB -2.026 30.451 32.500 -0.038 0.000 1.288 1417 K HN 0.392 nan 8.250 nan 0.000 0.473 1418 L N 0.993 122.163 121.223 -0.087 0.000 2.295 1418 L HA 0.335 4.677 4.340 0.003 0.000 0.285 1418 L C 0.999 177.833 176.870 -0.059 0.000 1.035 1418 L CA -0.609 54.176 54.840 -0.092 0.000 0.806 1418 L CB 1.529 43.510 42.059 -0.131 0.000 1.214 1418 L HN 0.378 nan 8.230 nan 0.000 0.426 1419 S N 2.486 118.158 115.700 -0.046 0.000 2.589 1419 S HA 0.077 4.548 4.470 0.003 0.000 0.265 1419 S C 1.015 175.601 174.600 -0.023 0.000 1.342 1419 S CA -0.379 57.803 58.200 -0.029 0.000 1.005 1419 S CB 1.175 64.362 63.200 -0.022 0.000 0.909 1419 S HN 0.713 nan 8.310 nan 0.000 0.555 1420 K N 0.649 121.041 120.400 -0.012 0.000 2.001 1420 K HA -0.156 4.166 4.320 0.003 0.000 0.214 1420 K C 2.198 178.801 176.600 0.005 0.000 1.050 1420 K CA 2.170 58.454 56.287 -0.005 0.000 0.934 1420 K CB -1.096 31.404 32.500 0.000 0.000 0.718 1420 K HN 0.814 nan 8.250 nan 0.000 0.443 1421 T N 2.088 116.648 114.554 0.011 0.000 2.649 1421 T HA -0.213 4.139 4.350 0.003 0.000 0.268 1421 T C 1.817 176.546 174.700 0.049 0.000 1.036 1421 T CA 1.825 63.942 62.100 0.028 0.000 1.157 1421 T CB -0.245 68.636 68.868 0.022 0.000 0.861 1421 T HN 0.186 nan 8.240 nan 0.000 0.445 1422 L N 0.225 121.460 121.223 0.020 0.000 2.109 1422 L HA 0.025 4.366 4.340 0.003 0.000 0.207 1422 L C 2.577 179.481 176.870 0.057 0.000 1.086 1422 L CA 0.540 55.395 54.840 0.025 0.000 0.760 1422 L CB -0.523 41.511 42.059 -0.041 0.000 0.910 1422 L HN 0.236 nan 8.230 nan 0.000 0.437 1423 L N 0.064 121.293 121.223 0.010 0.000 2.042 1423 L HA -0.213 4.129 4.340 0.003 0.000 0.210 1423 L C 2.627 179.511 176.870 0.024 0.000 1.076 1423 L CA 1.844 56.680 54.840 -0.006 0.000 0.749 1423 L CB -0.629 41.411 42.059 -0.031 0.000 0.893 1423 L HN 0.373 nan 8.230 nan 0.000 0.432 1424 E N -0.898 119.325 120.200 0.039 0.000 2.153 1424 E HA -0.266 4.086 4.350 0.003 0.000 0.194 1424 E C 1.966 178.595 176.600 0.048 0.000 0.988 1424 E CA 1.007 57.426 56.400 0.032 0.000 0.811 1424 E CB -0.320 29.399 29.700 0.032 0.000 0.746 1424 E HN 0.567 nan 8.360 nan 0.000 0.466 1425 Y N 1.139 121.427 120.300 -0.020 0.000 2.128 1425 Y HA -0.224 4.327 4.550 0.002 0.000 0.284 1425 Y C 2.207 178.097 175.900 -0.015 0.000 1.154 1425 Y CA 1.680 59.772 58.100 -0.014 0.000 1.149 1425 Y CB -0.285 38.168 38.460 -0.011 0.000 0.976 1425 Y HN -0.035 nan 8.280 nan 0.000 0.505 1426 L N -0.392 120.923 121.223 0.153 0.000 2.027 1426 L HA -0.168 4.174 4.340 0.003 0.000 0.206 1426 L C 2.596 179.449 176.870 -0.029 0.000 1.074 1426 L CA 1.308 56.188 54.840 0.066 0.000 0.745 1426 L CB -0.682 41.423 42.059 0.075 0.000 0.898 1426 L HN 0.198 nan 8.230 nan 0.000 0.433 1427 E N 0.522 120.707 120.200 -0.025 0.000 2.033 1427 E HA -0.259 4.092 4.350 0.003 0.000 0.199 1427 E C 2.346 178.910 176.600 -0.060 0.000 1.011 1427 E CA 2.072 58.450 56.400 -0.036 0.000 0.815 1427 E CB -0.182 29.503 29.700 -0.025 0.000 0.755 1427 E HN 0.503 nan 8.360 nan 0.000 0.451 1428 S N 0.023 115.670 115.700 -0.088 0.000 2.474 1428 S HA -0.077 4.394 4.470 0.003 0.000 0.235 1428 S C 1.715 176.239 174.600 -0.127 0.000 0.997 1428 S CA 0.669 58.808 58.200 -0.102 0.000 0.949 1428 S CB -0.124 63.008 63.200 -0.113 0.000 0.766 1428 S HN 0.116 nan 8.310 nan 0.000 0.517 1429 R N 0.389 120.791 120.500 -0.164 0.000 2.388 1429 R HA 0.333 4.674 4.340 0.003 0.000 0.247 1429 R C 1.499 177.751 176.300 -0.079 0.000 0.931 1429 R CA 0.443 56.453 56.100 -0.149 0.000 1.082 1429 R CB -0.071 30.097 30.300 -0.221 0.000 1.135 1429 R HN 0.561 nan 8.270 nan 0.000 0.525 1430 G N -0.082 108.683 108.800 -0.057 0.000 2.184 1430 G HA2 -0.349 3.613 3.960 0.003 0.000 0.264 1430 G HA3 -0.349 3.613 3.960 0.003 0.000 0.264 1430 G C 1.023 175.917 174.900 -0.011 0.000 0.975 1430 G CA 0.387 45.470 45.100 -0.028 0.000 0.642 1430 G HN 0.453 nan 8.290 nan 0.000 0.536 1431 C N -0.478 118.814 119.300 -0.013 0.000 2.409 1431 C HA 0.146 4.607 4.460 0.003 0.000 0.284 1431 C C 2.145 177.147 174.990 0.019 0.000 1.354 1431 C CA 1.281 60.306 59.018 0.012 0.000 1.787 1431 C CB -0.637 27.118 27.740 0.025 0.000 1.900 1431 C HN 0.448 nan 8.230 nan 0.000 0.520 1432 L N -0.082 121.143 121.223 0.004 0.000 2.906 1432 L HA 0.203 4.544 4.340 0.003 0.000 0.255 1432 L C 1.332 178.210 176.870 0.013 0.000 1.166 1432 L CA 0.869 55.710 54.840 0.001 0.000 0.977 1432 L CB -0.657 41.388 42.059 -0.024 0.000 1.313 1432 L HN 0.109 nan 8.230 nan 0.000 0.549 1433 D N -0.358 120.051 120.400 0.015 0.000 2.221 1433 D HA -0.159 4.483 4.640 0.003 0.000 0.204 1433 D C 2.107 178.423 176.300 0.026 0.000 0.982 1433 D CA 1.524 55.532 54.000 0.013 0.000 0.857 1433 D CB 0.160 40.966 40.800 0.010 0.000 0.934 1433 D HN 0.350 nan 8.370 nan 0.000 0.475 1434 S N -0.905 114.825 115.700 0.050 0.000 2.603 1434 S HA 0.089 4.560 4.470 0.003 0.000 0.220 1434 S C 0.618 175.257 174.600 0.065 0.000 0.967 1434 S CA -0.238 57.999 58.200 0.061 0.000 0.920 1434 S CB -0.102 63.152 63.200 0.089 0.000 0.773 1434 S HN 0.078 nan 8.310 nan 0.000 0.529 1435 L N 2.354 123.610 121.223 0.054 0.000 2.346 1435 L HA 0.572 4.914 4.340 0.003 0.000 0.274 1435 L C -2.446 174.431 176.870 0.010 0.000 1.007 1435 L CA -2.731 52.140 54.840 0.052 0.000 0.818 1435 L CB 2.085 44.185 42.059 0.069 0.000 1.284 1435 L HN -0.009 nan 8.230 nan 0.000 0.424 1436 P HA 0.067 nan 4.420 nan 0.000 0.274 1436 P C -0.303 176.950 177.300 -0.079 0.000 1.231 1436 P CA -0.299 62.767 63.100 -0.056 0.000 0.790 1436 P CB 1.161 32.824 31.700 -0.061 0.000 0.951 1437 D N 0.565 120.874 120.400 -0.152 0.000 2.126 1437 D HA -0.162 4.480 4.640 0.003 0.000 0.190 1437 D C 0.652 176.910 176.300 -0.069 0.000 1.001 1437 D CA 2.084 56.002 54.000 -0.135 0.000 0.841 1437 D CB -0.063 40.630 40.800 -0.179 0.000 0.949 1437 D HN 0.702 nan 8.370 nan 0.000 0.446 1438 H N -2.308 116.770 119.070 0.013 0.000 2.960 1438 H HA 0.473 5.031 4.556 0.002 0.000 0.338 1438 H C -0.619 174.721 175.328 0.020 0.000 1.261 1438 H CA -1.056 55.002 56.048 0.016 0.000 1.136 1438 H CB 0.658 30.427 29.762 0.011 0.000 1.875 1438 H HN -0.283 nan 8.280 nan 0.000 0.550 1439 N N 0.866 119.691 118.700 0.208 0.000 2.430 1439 N HA 0.067 4.808 4.740 0.003 0.000 0.292 1439 N C 0.149 175.751 175.510 0.153 0.000 1.051 1439 N CA -0.506 52.622 53.050 0.130 0.000 0.917 1439 N CB 1.850 40.390 38.487 0.088 0.000 1.164 1439 N HN 0.582 nan 8.380 nan 0.000 0.484 1440 Q N 0.622 120.489 119.800 0.110 0.000 2.432 1440 Q HA 0.188 4.530 4.340 0.003 0.000 0.205 1440 Q C 0.299 176.325 176.000 0.043 0.000 0.945 1440 Q CA 0.568 56.424 55.803 0.088 0.000 0.924 1440 Q CB 0.093 28.872 28.738 0.068 0.000 1.016 1440 Q HN 0.576 nan 8.270 nan 0.000 0.503 1441 L N -2.016 119.228 121.223 0.035 0.000 2.350 1441 L HA 0.815 5.157 4.340 0.003 0.000 0.260 1441 L C -0.412 176.464 176.870 0.010 0.000 1.015 1441 L CA -1.101 53.744 54.840 0.010 0.000 0.821 1441 L CB 2.109 44.164 42.059 -0.006 0.000 1.370 1441 L HN -0.183 nan 8.230 nan 0.000 0.416 1442 S N 1.277 116.969 115.700 -0.013 0.000 2.548 1442 S HA 0.816 5.288 4.470 0.003 0.000 0.276 1442 S C -1.044 173.518 174.600 -0.064 0.000 1.129 1442 S CA -0.743 57.450 58.200 -0.011 0.000 0.931 1442 S CB 1.835 65.041 63.200 0.011 0.000 1.068 1442 S HN 0.686 nan 8.310 nan 0.000 0.480 1443 L N 2.004 123.193 121.223 -0.056 0.000 2.286 1443 L HA 0.670 5.011 4.340 0.003 0.000 0.265 1443 L C 0.120 176.981 176.870 -0.015 0.000 1.012 1443 L CA -1.322 53.437 54.840 -0.135 0.000 0.818 1443 L CB 0.902 42.908 42.059 -0.087 0.000 1.337 1443 L HN 0.691 nan 8.230 nan 0.000 0.438 1444 F N 0.000 119.955 119.950 0.008 0.000 2.286 1444 F HA 0.000 4.528 4.527 0.002 0.000 0.279 1444 F CA 0.000 58.004 58.000 0.007 0.000 1.383 1444 F CB 0.000 39.003 39.000 0.005 0.000 1.145 1444 F HN 0.000 nan 8.300 nan 0.000 0.574