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 5ktq_1_A DATA FIRST_RESID 290 DATA SEQUENCE SPKALEEAPW PPPEGAFVGF VLSRKEPMWA DLLALAAARG GRVHRAPEPY DATA SEQUENCE KALRDLKEAR GLLAKDLSVL ALREGLGLPP GDDPMLLAYL LDPSNTTPEG DATA SEQUENCE VARRYGGEWT EEAGERAALS ERLFANLWGR LEGEERLLWL YREVERPLSA DATA SEQUENCE VLAHMEATGV RLDVAYLRAL SLEVAEEIAR LEAEVFRLAG HPFNLNSRDQ DATA SEQUENCE LERVLFDELG LPAIXXXXXX XXXSTSAAVL EALREAHPIV EKILQYRELT DATA SEQUENCE KLKSTYIDPL PDLIHPRTGR LHTRFNQTAT ATGRLSSSDP NLQNIPVRTP DATA SEQUENCE LGQRIRRAFI AEEGWLLVAL DYSQIELRVL AHLSGDENLI RVFQEGRDIH DATA SEQUENCE TETASWMFGV PREAVDPLMR RAAKTINFGV LYGMSAHRLS QELAIPYEEA DATA SEQUENCE QAFIERYFQS FPKVRAWIEK TLEEGRRRGY VETLFGRRRY VPDLEARVKS DATA SEQUENCE VREAAERMAF NMPVQGTAAD LMKLAMVKLF PRLEEMGARM LLQVHDELVL DATA SEQUENCE EAPKERAEAV ARLAKEVMEG VYPLAVPLEV EVGIGEDWLS AKE 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 290 S HA 0.000 nan 4.470 nan 0.000 0.327 290 S C 0.000 174.606 174.600 0.009 0.000 1.055 290 S CA 0.000 58.202 58.200 0.004 0.000 1.107 290 S CB 0.000 63.201 63.200 0.002 0.000 0.593 291 P HA 0.237 nan 4.420 nan 0.000 0.273 291 P C -0.304 177.001 177.300 0.008 0.000 1.372 291 P CA 0.772 63.880 63.100 0.014 0.000 0.736 291 P CB 0.065 31.778 31.700 0.021 0.000 1.539 292 K N -2.137 118.268 120.400 0.007 0.000 2.527 292 K HA 0.714 5.032 4.320 -0.002 0.000 0.260 292 K C -0.412 176.189 176.600 0.002 0.000 0.937 292 K CA -0.593 55.696 56.287 0.005 0.000 0.826 292 K CB 1.846 34.350 32.500 0.007 0.000 1.359 292 K HN 0.449 nan 8.250 nan 0.000 0.434 293 A N 1.656 124.476 122.820 0.001 0.000 5.471 293 A HA -0.258 4.061 4.320 -0.002 0.000 0.292 293 A C -0.110 177.471 177.584 -0.004 0.000 2.024 293 A CA 1.148 53.185 52.037 -0.001 0.000 0.716 293 A CB -1.962 17.038 19.000 0.001 0.000 1.221 293 A HN 0.768 nan 8.150 nan 0.000 0.364 294 L N 1.571 122.791 121.223 -0.006 0.000 2.437 294 L HA 0.269 4.608 4.340 -0.002 0.000 0.243 294 L C 1.560 178.418 176.870 -0.019 0.000 1.346 294 L CA 0.723 55.556 54.840 -0.011 0.000 1.233 294 L CB -0.787 41.266 42.059 -0.010 0.000 1.436 294 L HN 0.844 nan 8.230 nan 0.000 0.416 295 E N -0.077 120.111 120.200 -0.020 0.000 2.102 295 E HA -0.085 4.264 4.350 -0.002 0.000 0.190 295 E C 0.659 177.225 176.600 -0.057 0.000 0.971 295 E CA -0.169 56.214 56.400 -0.027 0.000 0.821 295 E CB 0.134 29.827 29.700 -0.011 0.000 0.777 295 E HN 0.461 nan 8.360 nan 0.000 0.460 296 E N 1.611 121.780 120.200 -0.051 0.000 2.414 296 E HA 0.250 4.599 4.350 -0.002 0.000 0.263 296 E C -0.961 175.564 176.600 -0.125 0.000 1.000 296 E CA 0.180 56.537 56.400 -0.071 0.000 0.914 296 E CB 0.970 30.652 29.700 -0.030 0.000 0.948 296 E HN 0.362 nan 8.360 nan 0.000 0.444 297 A N 4.982 127.664 122.820 -0.231 0.000 2.389 297 A HA 0.779 5.098 4.320 -0.002 0.000 0.293 297 A C -2.495 175.034 177.584 -0.091 0.000 1.186 297 A CA -1.499 50.382 52.037 -0.261 0.000 0.828 297 A CB 1.255 19.873 19.000 -0.636 0.000 1.369 297 A HN 0.693 nan 8.150 nan 0.000 0.446 298 P HA 0.171 nan 4.420 nan 0.000 0.282 298 P C -0.614 176.844 177.300 0.264 0.000 1.259 298 P CA -0.424 62.759 63.100 0.138 0.000 0.826 298 P CB 0.778 32.539 31.700 0.101 0.000 1.064 299 W N 3.587 124.952 121.300 0.108 0.000 2.150 299 W HA 0.172 4.831 4.660 -0.002 0.000 0.341 299 W C -1.956 174.604 176.519 0.069 0.000 1.276 299 W CA -0.952 56.455 57.345 0.104 0.000 1.238 299 W CB 0.434 29.930 29.460 0.061 0.000 1.128 299 W HN 0.347 nan 8.180 nan 0.000 0.581 300 P HA 0.273 nan 4.420 nan 0.000 0.278 300 P C -2.568 174.235 177.300 -0.828 0.000 1.258 300 P CA -1.081 61.350 63.100 -1.114 0.000 0.811 300 P CB 0.984 32.281 31.700 -0.673 0.000 1.063 301 P HA 0.241 nan 4.420 nan 0.000 0.276 301 P C -2.243 174.715 177.300 -0.570 0.000 1.252 301 P CA -1.477 60.988 63.100 -1.059 0.000 0.802 301 P CB -0.747 30.320 31.700 -1.055 0.000 1.035 302 P HA 0.148 nan 4.420 nan 0.000 0.272 302 P C 0.001 177.155 177.300 -0.243 0.000 1.230 302 P CA 0.020 62.977 63.100 -0.237 0.000 0.788 302 P CB 0.695 32.309 31.700 -0.144 0.000 0.949 303 E N -0.115 119.970 120.200 -0.191 0.000 2.438 303 E HA 0.235 4.584 4.350 -0.002 0.000 0.261 303 E C 1.096 177.575 176.600 -0.202 0.000 1.103 303 E CA 0.802 57.088 56.400 -0.190 0.000 0.959 303 E CB -0.297 29.313 29.700 -0.150 0.000 0.958 303 E HN 0.796 nan 8.360 nan 0.000 0.447 304 G N 0.476 109.129 108.800 -0.245 0.000 2.153 304 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.252 304 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.252 304 G C 0.159 174.819 174.900 -0.400 0.000 0.994 304 G CA 0.110 45.015 45.100 -0.324 0.000 0.698 304 G HN 0.706 nan 8.290 nan 0.000 0.521 305 A N -0.541 122.083 122.820 -0.327 0.000 2.302 305 A HA 0.771 5.090 4.320 -0.002 0.000 0.285 305 A C -0.078 177.317 177.584 -0.315 0.000 1.105 305 A CA -0.488 51.403 52.037 -0.243 0.000 0.816 305 A CB 0.469 19.345 19.000 -0.206 0.000 1.067 305 A HN 0.619 nan 8.150 nan 0.000 0.489 306 F N 1.916 121.833 119.950 -0.055 0.000 2.405 306 F HA 0.322 4.848 4.527 -0.002 0.000 0.358 306 F C 0.583 176.416 175.800 0.056 0.000 1.151 306 F CA -0.026 57.966 58.000 -0.014 0.000 1.161 306 F CB 0.551 39.550 39.000 -0.001 0.000 1.245 306 F HN 0.253 nan 8.300 nan 0.000 0.545 307 V N 2.674 122.710 119.914 0.203 0.000 3.051 307 V HA 0.568 4.687 4.120 -0.002 0.000 0.306 307 V C 0.726 177.003 176.094 0.304 0.000 1.083 307 V CA -0.380 62.071 62.300 0.251 0.000 1.104 307 V CB 0.954 32.905 31.823 0.213 0.000 1.027 307 V HN 0.853 nan 8.190 nan 0.000 0.483 308 G N 1.654 110.635 108.800 0.301 0.000 2.619 308 G HA2 0.840 4.799 3.960 -0.002 0.000 0.296 308 G HA3 0.840 4.799 3.960 -0.002 0.000 0.296 308 G C -1.432 173.639 174.900 0.285 0.000 1.334 308 G CA -0.596 44.623 45.100 0.198 0.000 0.934 308 G HN 1.004 nan 8.290 nan 0.000 0.476 309 F N -0.956 119.007 119.950 0.021 0.000 2.660 309 F HA 0.582 5.108 4.527 -0.002 0.000 0.320 309 F C -1.338 174.442 175.800 -0.034 0.000 1.099 309 F CA -1.349 56.638 58.000 -0.021 0.000 1.061 309 F CB 0.801 39.785 39.000 -0.025 0.000 1.300 309 F HN 0.433 nan 8.300 nan 0.000 0.479 310 V N 4.514 124.479 119.914 0.085 0.000 2.532 310 V HA 0.638 4.756 4.120 -0.002 0.000 0.295 310 V C 0.019 176.170 176.094 0.095 0.000 1.041 310 V CA -0.650 61.661 62.300 0.019 0.000 0.926 310 V CB 1.745 33.540 31.823 -0.047 0.000 0.992 310 V HN 0.805 nan 8.190 nan 0.000 0.457 311 L N 2.447 123.729 121.223 0.099 0.000 2.279 311 L HA 0.526 4.865 4.340 -0.002 0.000 0.262 311 L C 0.474 177.386 176.870 0.071 0.000 1.019 311 L CA -0.749 54.152 54.840 0.102 0.000 0.823 311 L CB 2.305 44.457 42.059 0.155 0.000 1.358 311 L HN 0.665 nan 8.230 nan 0.000 0.432 312 S N 0.211 115.957 115.700 0.077 0.000 4.069 312 S HA 0.167 4.636 4.470 -0.002 0.000 0.192 312 S C 0.614 175.254 174.600 0.066 0.000 1.441 312 S CA -0.506 57.734 58.200 0.066 0.000 0.994 312 S CB -0.452 62.794 63.200 0.078 0.000 1.456 312 S HN 0.682 nan 8.310 nan 0.000 0.458 313 R N 0.093 120.626 120.500 0.055 0.000 3.416 313 R HA -0.192 4.147 4.340 -0.002 0.000 0.263 313 R C -0.245 176.091 176.300 0.060 0.000 1.053 313 R CA 1.091 57.221 56.100 0.049 0.000 0.705 313 R CB -1.439 28.879 30.300 0.032 0.000 1.124 313 R HN 0.701 nan 8.270 nan 0.000 0.444 314 K N -0.314 120.138 120.400 0.085 0.000 2.054 314 K HA 0.285 4.604 4.320 -0.002 0.000 0.248 314 K C -0.819 175.847 176.600 0.110 0.000 1.019 314 K CA -0.775 55.568 56.287 0.094 0.000 0.855 314 K CB 0.867 33.445 32.500 0.130 0.000 1.473 314 K HN 0.182 nan 8.250 nan 0.000 0.483 315 E N 1.340 121.616 120.200 0.127 0.000 2.191 315 E HA 0.246 4.595 4.350 -0.002 0.000 0.274 315 E C -2.531 174.178 176.600 0.182 0.000 0.948 315 E CA -2.056 54.428 56.400 0.140 0.000 0.802 315 E CB 1.470 31.247 29.700 0.127 0.000 1.137 315 E HN 0.151 nan 8.360 nan 0.000 0.397 316 P HA -0.092 nan 4.420 nan 0.000 0.215 316 P C 1.428 178.749 177.300 0.034 0.000 1.157 316 P CA 1.275 64.420 63.100 0.074 0.000 0.868 316 P CB 0.103 31.818 31.700 0.025 0.000 0.788 317 M N -3.212 116.384 119.600 -0.008 0.000 2.460 317 M HA -0.098 4.381 4.480 -0.002 0.000 0.263 317 M C 1.340 177.518 176.300 -0.203 0.000 1.071 317 M CA 1.427 56.581 55.300 -0.244 0.000 1.096 317 M CB -1.198 31.106 32.600 -0.493 0.000 1.408 317 M HN 0.104 nan 8.290 nan 0.000 0.463 318 W N -0.152 121.173 121.300 0.042 0.000 2.907 318 W HA 0.344 5.003 4.660 -0.002 0.000 0.271 318 W C 1.197 177.768 176.519 0.086 0.000 1.253 318 W CA 0.041 57.458 57.345 0.120 0.000 1.501 318 W CB 0.093 29.614 29.460 0.101 0.000 1.047 318 W HN -0.016 nan 8.180 nan 0.000 0.610 319 A N 0.481 123.450 122.820 0.249 0.000 2.257 319 A HA 0.384 4.703 4.320 -0.002 0.000 0.289 319 A C -0.868 176.804 177.584 0.147 0.000 1.095 319 A CA -0.161 51.983 52.037 0.179 0.000 0.836 319 A CB 0.296 19.382 19.000 0.144 0.000 1.111 319 A HN -0.009 nan 8.150 nan 0.000 0.497 320 D N -0.499 119.988 120.400 0.145 0.000 2.163 320 D HA 0.413 5.052 4.640 -0.002 0.000 0.248 320 D C -0.934 175.422 176.300 0.094 0.000 1.035 320 D CA -0.343 53.774 54.000 0.195 0.000 0.872 320 D CB 1.164 42.070 40.800 0.178 0.000 1.183 320 D HN 0.230 nan 8.370 nan 0.000 0.445 321 L N 5.063 126.249 121.223 -0.061 0.000 2.385 321 L HA 0.173 4.511 4.340 -0.002 0.000 0.285 321 L C 0.251 177.045 176.870 -0.126 0.000 1.125 321 L CA 0.023 54.703 54.840 -0.267 0.000 0.890 321 L CB 0.023 41.633 42.059 -0.749 0.000 1.251 321 L HN 0.542 nan 8.230 nan 0.000 0.445 322 L N 4.338 125.543 121.223 -0.030 0.000 2.023 322 L HA 0.218 4.557 4.340 -0.002 0.000 0.205 322 L C 1.096 177.945 176.870 -0.034 0.000 1.073 322 L CA 1.706 56.542 54.840 -0.006 0.000 0.745 322 L CB -0.802 41.263 42.059 0.009 0.000 0.900 322 L HN 0.734 nan 8.230 nan 0.000 0.435 323 A N -1.587 121.210 122.820 -0.038 0.000 2.479 323 A HA 0.727 5.046 4.320 -0.002 0.000 0.296 323 A C -1.639 175.913 177.584 -0.054 0.000 1.121 323 A CA -0.395 51.611 52.037 -0.052 0.000 0.743 323 A CB 1.716 20.694 19.000 -0.036 0.000 1.323 323 A HN -0.008 nan 8.150 nan 0.000 0.415 324 L N -0.434 120.734 121.223 -0.091 0.000 2.465 324 L HA 0.933 5.272 4.340 -0.002 0.000 0.257 324 L C -0.373 176.473 176.870 -0.039 0.000 0.988 324 L CA 0.445 55.235 54.840 -0.083 0.000 0.827 324 L CB 1.826 43.730 42.059 -0.258 0.000 1.397 324 L HN 1.801 nan 8.230 nan 0.000 0.410 325 A N 2.585 125.490 122.820 0.141 0.000 2.564 325 A HA 1.008 5.327 4.320 -0.002 0.000 0.291 325 A C -1.706 176.131 177.584 0.423 0.000 1.102 325 A CA -0.106 52.112 52.037 0.302 0.000 0.660 325 A CB 1.483 20.595 19.000 0.185 0.000 1.283 325 A HN 1.926 nan 8.150 nan 0.000 0.430 326 A N -0.038 123.017 122.820 0.391 0.000 2.771 326 A HA 0.719 5.037 4.320 -0.002 0.000 0.301 326 A C -0.099 177.614 177.584 0.215 0.000 1.194 326 A CA 0.377 52.561 52.037 0.244 0.000 0.837 326 A CB -0.185 18.866 19.000 0.086 0.000 1.438 326 A HN 2.471 nan 8.150 nan 0.000 0.436 327 A N 1.989 124.952 122.820 0.238 0.000 2.488 327 A HA 0.686 5.005 4.320 -0.002 0.000 0.249 327 A C 0.537 178.266 177.584 0.240 0.000 1.083 327 A CA 0.259 52.434 52.037 0.230 0.000 0.768 327 A CB 0.178 19.275 19.000 0.162 0.000 1.017 327 A HN 0.916 nan 8.150 nan 0.000 0.496 328 R N 1.934 122.560 120.500 0.210 0.000 2.515 328 R HA 0.468 4.807 4.340 -0.002 0.000 0.278 328 R C 0.372 176.758 176.300 0.144 0.000 1.107 328 R CA 0.257 56.459 56.100 0.169 0.000 0.945 328 R CB 1.310 31.652 30.300 0.071 0.000 1.219 328 R HN 1.862 nan 8.270 nan 0.000 0.434 329 G N 2.273 111.143 108.800 0.116 0.000 2.393 329 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.299 329 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.299 329 G C 0.844 175.783 174.900 0.065 0.000 0.990 329 G CA 1.000 46.149 45.100 0.081 0.000 1.118 329 G HN 1.476 nan 8.290 nan 0.000 0.513 330 G N -1.192 107.644 108.800 0.061 0.000 2.383 330 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.229 330 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.229 330 G C 0.675 175.597 174.900 0.038 0.000 1.089 330 G CA 0.853 45.977 45.100 0.041 0.000 0.640 330 G HN 1.051 nan 8.290 nan 0.000 0.510 331 R N 0.143 120.672 120.500 0.049 0.000 2.531 331 R HA 0.561 4.900 4.340 -0.002 0.000 0.273 331 R C 0.043 176.366 176.300 0.038 0.000 1.070 331 R CA 0.131 56.228 56.100 -0.005 0.000 1.112 331 R CB 1.581 31.826 30.300 -0.093 0.000 1.049 331 R HN 0.466 nan 8.270 nan 0.000 0.508 332 V N 0.316 120.213 119.914 -0.028 0.000 2.350 332 V HA 0.335 4.454 4.120 -0.002 0.000 0.285 332 V C -0.708 175.375 176.094 -0.018 0.000 1.014 332 V CA -1.181 61.155 62.300 0.060 0.000 0.831 332 V CB 0.979 32.842 31.823 0.067 0.000 1.000 332 V HN 0.674 nan 8.190 nan 0.000 0.433 333 H N 3.205 122.344 119.070 0.114 0.000 2.548 333 H HA 0.717 5.271 4.556 -0.002 0.000 0.331 333 H C 0.215 175.730 175.328 0.311 0.000 1.093 333 H CA -0.166 55.989 56.048 0.179 0.000 1.367 333 H CB 0.921 30.740 29.762 0.096 0.000 1.455 333 H HN 0.606 nan 8.280 nan 0.000 0.519 334 R N 0.976 121.716 120.500 0.401 0.000 2.902 334 R HA 0.786 5.125 4.340 -0.002 0.000 0.258 334 R C -0.636 175.796 176.300 0.219 0.000 1.071 334 R CA -1.253 55.013 56.100 0.276 0.000 1.024 334 R CB 1.813 32.184 30.300 0.118 0.000 1.184 334 R HN 0.697 nan 8.270 nan 0.000 0.492 335 A N 1.269 123.970 122.820 -0.198 0.000 2.295 335 A HA 0.474 4.793 4.320 -0.002 0.000 0.318 335 A C -1.936 175.498 177.584 -0.251 0.000 1.134 335 A CA -1.359 50.329 52.037 -0.581 0.000 0.827 335 A CB 0.559 18.992 19.000 -0.945 0.000 1.136 335 A HN 0.535 nan 8.150 nan 0.000 0.493 336 P HA 0.046 nan 4.420 nan 0.000 0.214 336 P C -0.045 177.189 177.300 -0.110 0.000 1.167 336 P CA 0.738 63.781 63.100 -0.095 0.000 0.882 336 P CB 0.386 32.061 31.700 -0.042 0.000 0.777 337 E N -0.924 119.194 120.200 -0.136 0.000 2.220 337 E HA 0.183 4.532 4.350 -0.002 0.000 0.256 337 E C -2.218 174.310 176.600 -0.120 0.000 0.881 337 E CA -2.608 53.743 56.400 -0.081 0.000 0.766 337 E CB 1.541 31.226 29.700 -0.025 0.000 1.187 337 E HN -0.124 nan 8.360 nan 0.000 0.419 338 P HA -0.143 nan 4.420 nan 0.000 0.216 338 P C 0.753 177.904 177.300 -0.249 0.000 1.153 338 P CA 1.269 64.215 63.100 -0.258 0.000 0.858 338 P CB 0.053 31.604 31.700 -0.248 0.000 0.789 339 Y N -0.269 119.952 120.300 -0.132 0.000 2.200 339 Y HA -0.120 4.429 4.550 -0.002 0.000 0.290 339 Y C 2.460 178.309 175.900 -0.086 0.000 1.137 339 Y CA 1.422 59.462 58.100 -0.099 0.000 1.163 339 Y CB -0.598 37.817 38.460 -0.076 0.000 0.988 339 Y HN -0.145 nan 8.280 nan 0.000 0.518 340 K N -0.125 120.326 120.400 0.084 0.000 2.148 340 K HA -0.126 4.193 4.320 -0.002 0.000 0.204 340 K C 2.282 178.896 176.600 0.023 0.000 1.050 340 K CA 0.797 57.109 56.287 0.042 0.000 0.942 340 K CB -0.243 32.270 32.500 0.022 0.000 0.724 340 K HN 0.279 nan 8.250 nan 0.000 0.446 341 A N 1.198 123.971 122.820 -0.078 0.000 1.940 341 A HA -0.177 4.142 4.320 -0.002 0.000 0.219 341 A C 1.975 179.637 177.584 0.130 0.000 1.176 341 A CA 1.281 53.257 52.037 -0.102 0.000 0.631 341 A CB -0.642 17.929 19.000 -0.715 0.000 0.814 341 A HN 0.253 nan 8.150 nan 0.000 0.446 342 L N -1.051 120.183 121.223 0.017 0.000 2.129 342 L HA -0.201 4.138 4.340 -0.002 0.000 0.212 342 L C 2.707 179.619 176.870 0.070 0.000 1.087 342 L CA 1.334 56.194 54.840 0.033 0.000 0.757 342 L CB -0.438 41.593 42.059 -0.046 0.000 0.896 342 L HN 0.330 nan 8.230 nan 0.000 0.434 343 R N 0.100 120.646 120.500 0.077 0.000 2.316 343 R HA -0.099 4.240 4.340 -0.002 0.000 0.202 343 R C 1.293 177.639 176.300 0.076 0.000 1.029 343 R CA 0.712 56.847 56.100 0.059 0.000 1.018 343 R CB -0.323 30.007 30.300 0.050 0.000 0.888 343 R HN 0.459 nan 8.270 nan 0.000 0.471 344 D N 0.253 120.742 120.400 0.148 0.000 2.091 344 D HA -0.101 4.537 4.640 -0.002 0.000 0.199 344 D C 0.362 176.671 176.300 0.015 0.000 0.980 344 D CA 0.439 54.499 54.000 0.101 0.000 0.831 344 D CB 0.008 40.928 40.800 0.200 0.000 0.987 344 D HN 0.003 nan 8.370 nan 0.000 0.460 345 L N 2.156 123.410 121.223 0.052 0.000 2.640 345 L HA -0.111 4.228 4.340 -0.002 0.000 0.280 345 L C 1.653 178.498 176.870 -0.040 0.000 1.229 345 L CA 0.648 55.480 54.840 -0.013 0.000 0.919 345 L CB 0.148 42.227 42.059 0.033 0.000 1.168 345 L HN 0.075 nan 8.230 nan 0.000 0.496 346 K N 2.486 122.841 120.400 -0.076 0.000 2.296 346 K HA 0.047 4.366 4.320 -0.002 0.000 0.200 346 K C 0.121 176.677 176.600 -0.073 0.000 1.048 346 K CA 0.737 56.981 56.287 -0.072 0.000 0.966 346 K CB 0.165 32.611 32.500 -0.089 0.000 0.754 346 K HN 0.713 nan 8.250 nan 0.000 0.466 347 E N -1.059 119.090 120.200 -0.086 0.000 2.411 347 E HA 0.394 4.743 4.350 -0.002 0.000 0.279 347 E C -1.813 174.731 176.600 -0.094 0.000 1.132 347 E CA -1.043 55.304 56.400 -0.089 0.000 0.876 347 E CB 0.546 30.184 29.700 -0.103 0.000 1.335 347 E HN -0.002 nan 8.360 nan 0.000 0.436 348 A N 2.235 125.004 122.820 -0.084 0.000 2.341 348 A HA 0.478 4.797 4.320 -0.002 0.000 0.326 348 A C -0.185 177.361 177.584 -0.063 0.000 1.402 348 A CA -0.661 51.341 52.037 -0.058 0.000 0.957 348 A CB 0.242 19.211 19.000 -0.052 0.000 1.151 348 A HN 0.406 nan 8.150 nan 0.000 0.533 349 R N 1.271 121.695 120.500 -0.127 0.000 2.532 349 R HA 0.708 5.046 4.340 -0.002 0.000 0.272 349 R C 0.422 176.743 176.300 0.034 0.000 1.032 349 R CA 0.582 56.570 56.100 -0.187 0.000 1.089 349 R CB 1.337 31.284 30.300 -0.587 0.000 1.098 349 R HN 1.433 nan 8.270 nan 0.000 0.526 350 G N 0.617 109.527 108.800 0.184 0.000 2.515 350 G HA2 -0.145 3.814 3.960 -0.002 0.000 0.686 350 G HA3 -0.145 3.814 3.960 -0.002 0.000 0.686 350 G C -0.707 174.349 174.900 0.260 0.000 1.274 350 G CA -1.107 44.189 45.100 0.328 0.000 0.874 350 G HN 0.450 nan 8.290 nan 0.000 0.631 351 L N 0.725 122.084 121.223 0.227 0.000 2.593 351 L HA 0.058 4.397 4.340 -0.002 0.000 0.287 351 L C 1.381 178.365 176.870 0.189 0.000 1.243 351 L CA -0.072 54.865 54.840 0.162 0.000 0.890 351 L CB 0.094 42.227 42.059 0.122 0.000 1.134 351 L HN 0.901 nan 8.230 nan 0.000 0.502 352 L N 2.783 124.107 121.223 0.169 0.000 3.781 352 L HA -0.319 4.020 4.340 -0.002 0.000 0.426 352 L C 1.668 178.769 176.870 0.384 0.000 1.197 352 L CA 1.342 56.328 54.840 0.243 0.000 0.907 352 L CB -2.349 39.853 42.059 0.238 0.000 1.812 352 L HN 0.850 nan 8.230 nan 0.000 0.956 353 A N -0.001 122.980 122.820 0.268 0.000 1.997 353 A HA -0.286 4.032 4.320 -0.002 0.000 0.221 353 A C 2.160 179.783 177.584 0.065 0.000 1.172 353 A CA 2.221 54.363 52.037 0.174 0.000 0.645 353 A CB -0.277 18.780 19.000 0.094 0.000 0.813 353 A HN 0.682 nan 8.150 nan 0.000 0.454 354 K N -0.146 120.290 120.400 0.061 0.000 2.296 354 K HA -0.066 4.253 4.320 -0.002 0.000 0.200 354 K C 0.919 177.517 176.600 -0.004 0.000 1.048 354 K CA 1.638 57.926 56.287 0.003 0.000 0.966 354 K CB -0.204 32.297 32.500 0.002 0.000 0.754 354 K HN 0.304 nan 8.250 nan 0.000 0.466 355 D N 0.562 120.998 120.400 0.061 0.000 2.178 355 D HA -0.117 4.522 4.640 -0.002 0.000 0.202 355 D C 1.698 177.920 176.300 -0.129 0.000 0.974 355 D CA 0.814 54.839 54.000 0.043 0.000 0.841 355 D CB -0.138 40.780 40.800 0.198 0.000 0.953 355 D HN 0.192 nan 8.370 nan 0.000 0.478 356 L N 1.016 122.032 121.223 -0.344 0.000 1.994 356 L HA -0.125 4.214 4.340 -0.002 0.000 0.208 356 L C 2.147 178.824 176.870 -0.321 0.000 1.071 356 L CA 1.587 56.057 54.840 -0.617 0.000 0.745 356 L CB -0.751 40.784 42.059 -0.874 0.000 0.892 356 L HN -0.147 nan 8.230 nan 0.000 0.431 357 S N -1.248 114.323 115.700 -0.214 0.000 2.420 357 S HA -0.170 4.299 4.470 -0.002 0.000 0.237 357 S C 1.945 176.441 174.600 -0.173 0.000 1.023 357 S CA 1.294 59.391 58.200 -0.173 0.000 0.991 357 S CB -0.453 62.662 63.200 -0.141 0.000 0.792 357 S HN 0.346 nan 8.310 nan 0.000 0.488 358 V N 1.951 121.776 119.914 -0.149 0.000 2.346 358 V HA -0.067 4.052 4.120 -0.002 0.000 0.244 358 V C 2.261 178.263 176.094 -0.154 0.000 1.037 358 V CA 1.094 63.313 62.300 -0.135 0.000 1.029 358 V CB -0.637 31.140 31.823 -0.076 0.000 0.663 358 V HN 0.383 nan 8.190 nan 0.000 0.454 359 L N 1.431 122.563 121.223 -0.152 0.000 1.963 359 L HA -0.214 4.125 4.340 -0.002 0.000 0.220 359 L C 2.494 179.285 176.870 -0.132 0.000 1.076 359 L CA 3.032 57.785 54.840 -0.144 0.000 0.772 359 L CB -1.565 40.383 42.059 -0.185 0.000 0.892 359 L HN 0.329 nan 8.230 nan 0.000 0.435 360 A N -0.844 121.882 122.820 -0.156 0.000 2.070 360 A HA -0.171 4.148 4.320 -0.002 0.000 0.220 360 A C 2.356 179.877 177.584 -0.105 0.000 1.159 360 A CA 1.530 53.496 52.037 -0.119 0.000 0.656 360 A CB -0.578 18.340 19.000 -0.137 0.000 0.800 360 A HN 0.571 nan 8.150 nan 0.000 0.453 361 L N -1.453 119.688 121.223 -0.138 0.000 2.179 361 L HA -0.072 4.267 4.340 -0.002 0.000 0.208 361 L C 2.687 179.485 176.870 -0.120 0.000 1.096 361 L CA 1.077 55.832 54.840 -0.142 0.000 0.779 361 L CB -0.297 41.640 42.059 -0.205 0.000 0.922 361 L HN 0.471 nan 8.230 nan 0.000 0.443 362 R N 0.452 120.870 120.500 -0.137 0.000 2.083 362 R HA -0.159 4.179 4.340 -0.002 0.000 0.237 362 R C 0.849 177.098 176.300 -0.085 0.000 1.137 362 R CA 1.281 57.292 56.100 -0.148 0.000 0.951 362 R CB 0.052 30.245 30.300 -0.178 0.000 0.851 362 R HN 0.197 nan 8.270 nan 0.000 0.434 363 E N 0.149 120.321 120.200 -0.047 0.000 2.424 363 E HA 0.066 4.414 4.350 -0.002 0.000 0.237 363 E C 0.490 177.079 176.600 -0.019 0.000 1.381 363 E CA 0.569 56.963 56.400 -0.010 0.000 1.587 363 E CB 0.066 29.802 29.700 0.061 0.000 1.398 363 E HN 0.620 nan 8.360 nan 0.000 0.439 364 G N 0.927 109.706 108.800 -0.035 0.000 2.352 364 G HA2 -0.304 3.654 3.960 -0.002 0.000 0.295 364 G HA3 -0.304 3.654 3.960 -0.002 0.000 0.295 364 G C 0.219 175.106 174.900 -0.021 0.000 0.991 364 G CA 0.497 45.581 45.100 -0.026 0.000 0.796 364 G HN 0.215 nan 8.290 nan 0.000 0.511 365 L N -0.490 120.715 121.223 -0.030 0.000 2.375 365 L HA 0.700 5.039 4.340 -0.002 0.000 0.268 365 L C 1.175 178.025 176.870 -0.035 0.000 1.058 365 L CA 0.059 54.883 54.840 -0.026 0.000 0.803 365 L CB 1.516 43.558 42.059 -0.029 0.000 1.212 365 L HN 0.113 nan 8.230 nan 0.000 0.451 366 G N 1.871 110.659 108.800 -0.021 0.000 4.232 366 G HA2 0.397 4.356 3.960 -0.002 0.000 0.304 366 G HA3 0.397 4.356 3.960 -0.002 0.000 0.304 366 G C -0.787 174.098 174.900 -0.026 0.000 1.295 366 G CA -0.180 44.913 45.100 -0.012 0.000 1.398 366 G HN 0.366 nan 8.290 nan 0.000 0.571 367 L N 2.685 123.875 121.223 -0.055 0.000 2.268 367 L HA 0.451 4.790 4.340 -0.002 0.000 0.289 367 L C -2.158 174.672 176.870 -0.067 0.000 1.064 367 L CA -2.090 52.713 54.840 -0.063 0.000 0.824 367 L CB 1.029 43.038 42.059 -0.083 0.000 1.202 367 L HN 0.046 nan 8.230 nan 0.000 0.433 368 P HA 0.201 nan 4.420 nan 0.000 0.271 368 P C -2.606 174.656 177.300 -0.064 0.000 1.216 368 P CA -1.129 61.947 63.100 -0.040 0.000 0.776 368 P CB -0.007 31.677 31.700 -0.026 0.000 0.881 369 P HA 0.132 nan 4.420 nan 0.000 0.271 369 P C 0.503 177.765 177.300 -0.065 0.000 1.233 369 P CA 0.362 63.426 63.100 -0.058 0.000 0.764 369 P CB 0.616 32.286 31.700 -0.051 0.000 0.825 370 G N 2.555 111.314 108.800 -0.069 0.000 2.630 370 G HA2 0.157 4.115 3.960 -0.002 0.000 0.223 370 G HA3 0.157 4.115 3.960 -0.002 0.000 0.223 370 G C -0.488 174.382 174.900 -0.051 0.000 1.434 370 G CA -0.431 44.612 45.100 -0.095 0.000 1.057 370 G HN 0.317 nan 8.290 nan 0.000 0.570 371 D N 0.335 120.689 120.400 -0.076 0.000 2.423 371 D HA 0.302 4.940 4.640 -0.002 0.000 0.238 371 D C -0.726 175.662 176.300 0.147 0.000 1.142 371 D CA 0.682 54.731 54.000 0.082 0.000 0.884 371 D CB 1.400 42.124 40.800 -0.126 0.000 1.199 371 D HN 0.208 nan 8.370 nan 0.000 0.438 372 D N 1.185 121.783 120.400 0.330 0.000 2.602 372 D HA 0.158 4.797 4.640 -0.002 0.000 0.245 372 D C -2.110 174.402 176.300 0.354 0.000 1.325 372 D CA -1.766 52.407 54.000 0.289 0.000 0.952 372 D CB 2.155 43.080 40.800 0.208 0.000 1.317 372 D HN -0.062 nan 8.370 nan 0.000 0.577 373 P HA -0.105 nan 4.420 nan 0.000 0.229 373 P C 1.577 178.939 177.300 0.104 0.000 1.150 373 P CA 0.382 63.603 63.100 0.202 0.000 0.765 373 P CB 0.305 32.095 31.700 0.150 0.000 0.783 374 M N -1.181 118.485 119.600 0.110 0.000 2.200 374 M HA -0.053 4.426 4.480 -0.002 0.000 0.265 374 M C 1.800 178.170 176.300 0.118 0.000 1.066 374 M CA 1.154 56.492 55.300 0.064 0.000 1.127 374 M CB -1.416 31.194 32.600 0.016 0.000 1.379 374 M HN -0.024 nan 8.290 nan 0.000 0.420 375 L N -0.250 121.087 121.223 0.190 0.000 2.093 375 L HA -0.146 4.192 4.340 -0.002 0.000 0.208 375 L C 2.228 179.266 176.870 0.279 0.000 1.085 375 L CA 1.177 56.189 54.840 0.287 0.000 0.755 375 L CB -1.275 41.027 42.059 0.404 0.000 0.904 375 L HN 0.191 nan 8.230 nan 0.000 0.435 376 L N -0.715 120.586 121.223 0.130 0.000 2.044 376 L HA -0.038 4.301 4.340 -0.002 0.000 0.205 376 L C 2.609 179.454 176.870 -0.042 0.000 1.075 376 L CA 1.922 56.725 54.840 -0.062 0.000 0.747 376 L CB -1.881 40.051 42.059 -0.211 0.000 0.903 376 L HN 0.260 nan 8.230 nan 0.000 0.435 377 A N -1.764 121.024 122.820 -0.053 0.000 2.067 377 A HA -0.255 4.063 4.320 -0.002 0.000 0.219 377 A C 2.190 179.844 177.584 0.118 0.000 1.158 377 A CA 1.059 53.056 52.037 -0.065 0.000 0.661 377 A CB -0.737 18.196 19.000 -0.111 0.000 0.801 377 A HN 0.472 nan 8.150 nan 0.000 0.452 378 Y N 0.095 120.409 120.300 0.023 0.000 2.243 378 Y HA 0.025 4.573 4.550 -0.002 0.000 0.293 378 Y C 1.834 177.769 175.900 0.058 0.000 1.124 378 Y CA 1.258 59.389 58.100 0.052 0.000 1.159 378 Y CB -0.231 38.263 38.460 0.057 0.000 1.008 378 Y HN 0.202 nan 8.280 nan 0.000 0.527 379 L N -0.527 120.732 121.223 0.059 0.000 2.046 379 L HA -0.248 4.091 4.340 -0.002 0.000 0.208 379 L C 2.383 179.219 176.870 -0.057 0.000 1.077 379 L CA 1.157 55.974 54.840 -0.038 0.000 0.747 379 L CB -0.604 41.486 42.059 0.052 0.000 0.896 379 L HN 0.272 nan 8.230 nan 0.000 0.432 380 L N -0.729 120.484 121.223 -0.016 0.000 2.079 380 L HA -0.146 4.193 4.340 -0.002 0.000 0.210 380 L C 0.239 177.167 176.870 0.098 0.000 1.081 380 L CA 1.022 55.874 54.840 0.020 0.000 0.752 380 L CB -0.267 41.802 42.059 0.017 0.000 0.896 380 L HN 0.346 nan 8.230 nan 0.000 0.433 381 D N -2.502 117.937 120.400 0.065 0.000 2.548 381 D HA 0.163 4.802 4.640 -0.002 0.000 0.214 381 D C -2.212 174.085 176.300 -0.005 0.000 1.345 381 D CA -1.159 52.904 54.000 0.104 0.000 0.945 381 D CB 1.515 42.398 40.800 0.139 0.000 1.499 381 D HN -0.304 nan 8.370 nan 0.000 0.579 382 P HA -0.153 nan 4.420 nan 0.000 0.221 382 P C 0.874 178.236 177.300 0.103 0.000 1.141 382 P CA 1.094 64.060 63.100 -0.222 0.000 0.794 382 P CB 0.113 31.680 31.700 -0.221 0.000 0.764 383 S N -3.193 112.570 115.700 0.105 0.000 2.603 383 S HA 0.044 4.512 4.470 -0.002 0.000 0.220 383 S C 0.903 175.581 174.600 0.129 0.000 0.967 383 S CA -0.037 58.233 58.200 0.116 0.000 0.920 383 S CB -0.795 62.453 63.200 0.079 0.000 0.773 383 S HN 0.033 nan 8.310 nan 0.000 0.529 384 N N 2.918 121.729 118.700 0.184 0.000 2.918 384 N HA 0.195 4.934 4.740 -0.002 0.000 0.247 384 N C 0.664 176.292 175.510 0.196 0.000 1.117 384 N CA 0.307 53.468 53.050 0.184 0.000 1.005 384 N CB 1.312 39.934 38.487 0.224 0.000 1.297 384 N HN 0.617 nan 8.380 nan 0.000 0.513 385 T N -3.478 111.138 114.554 0.104 0.000 2.990 385 T HA 0.055 4.404 4.350 -0.002 0.000 0.249 385 T C 0.998 175.670 174.700 -0.046 0.000 1.039 385 T CA 0.081 62.203 62.100 0.036 0.000 1.036 385 T CB 0.182 69.079 68.868 0.048 0.000 0.994 385 T HN 0.328 nan 8.240 nan 0.000 0.489 386 T N -0.836 113.680 114.554 -0.065 0.000 2.924 386 T HA 0.567 4.915 4.350 -0.002 0.000 0.291 386 T C -2.403 172.148 174.700 -0.247 0.000 1.045 386 T CA -1.964 60.042 62.100 -0.156 0.000 1.015 386 T CB 2.075 70.860 68.868 -0.139 0.000 1.103 386 T HN -0.303 nan 8.240 nan 0.000 0.496 387 P HA -0.185 nan 4.420 nan 0.000 0.214 387 P C 1.653 178.570 177.300 -0.638 0.000 1.163 387 P CA 1.285 63.914 63.100 -0.785 0.000 0.889 387 P CB 0.073 30.785 31.700 -1.647 0.000 0.790 388 E N -0.622 119.256 120.200 -0.537 0.000 2.153 388 E HA -0.103 4.245 4.350 -0.002 0.000 0.194 388 E C 2.243 178.815 176.600 -0.046 0.000 0.988 388 E CA 1.792 58.118 56.400 -0.125 0.000 0.811 388 E CB -1.590 28.122 29.700 0.019 0.000 0.746 388 E HN 0.283 nan 8.360 nan 0.000 0.466 389 G N 1.473 110.229 108.800 -0.074 0.000 2.396 389 G HA2 -0.101 3.858 3.960 -0.002 0.000 0.214 389 G HA3 -0.101 3.858 3.960 -0.002 0.000 0.214 389 G C 1.817 176.727 174.900 0.015 0.000 1.166 389 G CA 0.673 45.761 45.100 -0.021 0.000 0.793 389 G HN 0.202 nan 8.290 nan 0.000 0.533 390 V N 1.543 121.475 119.914 0.031 0.000 2.427 390 V HA -0.077 4.042 4.120 -0.002 0.000 0.248 390 V C 3.276 179.484 176.094 0.190 0.000 1.051 390 V CA 1.882 64.282 62.300 0.167 0.000 1.048 390 V CB -0.635 31.248 31.823 0.100 0.000 0.666 390 V HN 0.455 nan 8.190 nan 0.000 0.456 391 A N 0.231 123.101 122.820 0.085 0.000 1.858 391 A HA -0.254 4.065 4.320 -0.002 0.000 0.216 391 A C 2.435 180.070 177.584 0.085 0.000 1.190 391 A CA 2.015 54.116 52.037 0.106 0.000 0.617 391 A CB -0.645 18.434 19.000 0.131 0.000 0.827 391 A HN 0.422 nan 8.150 nan 0.000 0.443 392 R N -0.372 120.161 120.500 0.055 0.000 2.105 392 R HA -0.176 4.163 4.340 -0.002 0.000 0.239 392 R C 2.419 178.708 176.300 -0.019 0.000 1.135 392 R CA 1.863 57.977 56.100 0.024 0.000 0.967 392 R CB -0.279 30.031 30.300 0.017 0.000 0.861 392 R HN 0.619 nan 8.270 nan 0.000 0.442 393 R N -0.762 119.708 120.500 -0.049 0.000 2.052 393 R HA -0.102 4.237 4.340 -0.002 0.000 0.224 393 R C 1.421 177.551 176.300 -0.284 0.000 1.149 393 R CA 1.302 57.276 56.100 -0.210 0.000 0.962 393 R CB -0.305 29.790 30.300 -0.342 0.000 0.856 393 R HN 0.234 nan 8.270 nan 0.000 0.433 394 Y N 0.430 120.722 120.300 -0.014 0.000 2.502 394 Y HA 0.256 4.805 4.550 -0.002 0.000 0.295 394 Y C 0.533 176.429 175.900 -0.007 0.000 1.193 394 Y CA 0.556 58.647 58.100 -0.015 0.000 1.295 394 Y CB 0.446 38.896 38.460 -0.017 0.000 1.059 394 Y HN 0.474 nan 8.280 nan 0.000 0.514 395 G N -0.465 108.387 108.800 0.087 0.000 3.190 395 G HA2 0.376 4.335 3.960 -0.002 0.000 0.686 395 G HA3 0.376 4.335 3.960 -0.002 0.000 0.686 395 G C -0.275 174.672 174.900 0.079 0.000 1.033 395 G CA -0.506 44.633 45.100 0.065 0.000 0.797 395 G HN 0.941 nan 8.290 nan 0.000 0.567 396 G N 0.937 109.776 108.800 0.064 0.000 2.592 396 G HA2 0.443 4.402 3.960 -0.002 0.000 0.685 396 G HA3 0.443 4.402 3.960 -0.002 0.000 0.685 396 G C -0.690 174.264 174.900 0.091 0.000 1.278 396 G CA -0.057 45.087 45.100 0.073 0.000 0.822 396 G HN 0.987 nan 8.290 nan 0.000 0.652 397 E N -0.226 120.026 120.200 0.087 0.000 2.156 397 E HA 0.336 4.685 4.350 -0.002 0.000 0.279 397 E C -0.844 175.855 176.600 0.164 0.000 0.965 397 E CA -0.603 55.859 56.400 0.104 0.000 0.789 397 E CB 1.862 31.596 29.700 0.056 0.000 1.098 397 E HN 0.468 nan 8.360 nan 0.000 0.397 398 W N 4.649 125.947 121.300 -0.003 0.000 2.332 398 W HA 0.126 4.785 4.660 -0.002 0.000 0.306 398 W C -0.200 176.308 176.519 -0.018 0.000 1.149 398 W CA -0.215 57.121 57.345 -0.014 0.000 1.271 398 W CB 0.560 30.012 29.460 -0.014 0.000 1.243 398 W HN 0.348 nan 8.180 nan 0.000 0.459 399 T N 1.272 115.636 114.554 -0.317 0.000 2.940 399 T HA 0.325 4.673 4.350 -0.002 0.000 0.288 399 T C -0.032 174.336 174.700 -0.553 0.000 1.045 399 T CA -0.877 61.028 62.100 -0.326 0.000 1.018 399 T CB 1.836 70.604 68.868 -0.168 0.000 1.151 399 T HN 0.494 nan 8.240 nan 0.000 0.529 400 E N 0.255 120.233 120.200 -0.371 0.000 2.304 400 E HA 0.083 4.432 4.350 -0.002 0.000 0.212 400 E C -0.277 176.176 176.600 -0.245 0.000 1.185 400 E CA -0.079 56.105 56.400 -0.361 0.000 1.326 400 E CB 0.153 29.707 29.700 -0.242 0.000 1.283 400 E HN 0.424 nan 8.360 nan 0.000 0.440 401 E N 0.008 120.069 120.200 -0.232 0.000 2.182 401 E HA 0.220 4.569 4.350 -0.002 0.000 0.258 401 E C 0.283 176.800 176.600 -0.139 0.000 0.879 401 E CA -0.262 56.051 56.400 -0.145 0.000 0.754 401 E CB 1.370 31.009 29.700 -0.102 0.000 1.162 401 E HN 0.248 nan 8.360 nan 0.000 0.419 402 A N 3.732 126.489 122.820 -0.105 0.000 1.958 402 A HA -0.204 4.114 4.320 -0.002 0.000 0.221 402 A C 1.796 179.373 177.584 -0.011 0.000 1.178 402 A CA 2.253 54.251 52.037 -0.065 0.000 0.642 402 A CB -0.569 18.419 19.000 -0.020 0.000 0.816 402 A HN 0.659 nan 8.150 nan 0.000 0.453 403 G N -1.226 107.577 108.800 0.006 0.000 2.464 403 G HA2 -0.066 3.893 3.960 -0.002 0.000 0.217 403 G HA3 -0.066 3.893 3.960 -0.002 0.000 0.217 403 G C 1.405 176.320 174.900 0.025 0.000 1.138 403 G CA 0.796 45.922 45.100 0.044 0.000 0.793 403 G HN 0.660 nan 8.290 nan 0.000 0.539 404 E N 0.247 120.437 120.200 -0.017 0.000 2.072 404 E HA -0.029 4.320 4.350 -0.002 0.000 0.190 404 E C 2.671 179.256 176.600 -0.025 0.000 0.982 404 E CA 0.361 56.746 56.400 -0.025 0.000 0.803 404 E CB -0.031 29.635 29.700 -0.056 0.000 0.755 404 E HN 0.297 nan 8.360 nan 0.000 0.453 405 R N 0.319 120.777 120.500 -0.070 0.000 2.189 405 R HA -0.001 4.338 4.340 -0.002 0.000 0.223 405 R C 2.099 178.426 176.300 0.045 0.000 1.092 405 R CA 0.825 56.900 56.100 -0.042 0.000 0.989 405 R CB -0.040 30.163 30.300 -0.162 0.000 0.876 405 R HN 0.070 nan 8.270 nan 0.000 0.457 406 A N 0.962 123.822 122.820 0.066 0.000 1.970 406 A HA 0.088 4.407 4.320 -0.002 0.000 0.216 406 A C 2.271 179.916 177.584 0.100 0.000 1.170 406 A CA 1.101 53.218 52.037 0.132 0.000 0.645 406 A CB -0.274 18.829 19.000 0.170 0.000 0.816 406 A HN 0.328 nan 8.150 nan 0.000 0.447 407 A N -0.021 122.834 122.820 0.059 0.000 1.855 407 A HA -0.040 4.279 4.320 -0.002 0.000 0.215 407 A C 2.159 179.732 177.584 -0.017 0.000 1.191 407 A CA 1.382 53.432 52.037 0.023 0.000 0.613 407 A CB -0.722 18.291 19.000 0.023 0.000 0.829 407 A HN 0.488 nan 8.150 nan 0.000 0.442 408 L N -0.180 121.053 121.223 0.017 0.000 2.013 408 L HA -0.235 4.104 4.340 -0.002 0.000 0.212 408 L C 2.716 179.588 176.870 0.003 0.000 1.073 408 L CA 2.096 56.958 54.840 0.035 0.000 0.753 408 L CB -0.337 41.785 42.059 0.105 0.000 0.890 408 L HN 0.394 nan 8.230 nan 0.000 0.432 409 S N -0.615 115.096 115.700 0.019 0.000 2.383 409 S HA -0.280 4.189 4.470 -0.002 0.000 0.229 409 S C 1.683 176.069 174.600 -0.358 0.000 1.030 409 S CA 1.733 59.935 58.200 0.002 0.000 1.002 409 S CB -0.209 63.094 63.200 0.172 0.000 0.829 409 S HN 0.505 nan 8.310 nan 0.000 0.467 410 E N 1.143 120.938 120.200 -0.676 0.000 2.051 410 E HA -0.153 4.196 4.350 -0.002 0.000 0.192 410 E C 2.393 178.673 176.600 -0.534 0.000 0.991 410 E CA 0.900 56.545 56.400 -1.257 0.000 0.799 410 E CB -0.021 29.274 29.700 -0.675 0.000 0.748 410 E HN 0.225 nan 8.360 nan 0.000 0.449 411 R N -0.017 120.335 120.500 -0.246 0.000 2.070 411 R HA -0.142 4.197 4.340 -0.002 0.000 0.232 411 R C 2.549 178.813 176.300 -0.060 0.000 1.138 411 R CA 1.295 57.334 56.100 -0.101 0.000 0.936 411 R CB -0.661 29.611 30.300 -0.046 0.000 0.839 411 R HN 0.261 nan 8.270 nan 0.000 0.429 412 L N 0.131 121.328 121.223 -0.043 0.000 2.083 412 L HA -0.173 4.165 4.340 -0.002 0.000 0.209 412 L C 2.182 179.040 176.870 -0.020 0.000 1.083 412 L CA 1.493 56.320 54.840 -0.022 0.000 0.752 412 L CB -0.597 41.466 42.059 0.007 0.000 0.899 412 L HN 0.104 nan 8.230 nan 0.000 0.433 413 F N -0.222 119.656 119.950 -0.121 0.000 2.134 413 F HA -0.238 4.288 4.527 -0.002 0.000 0.299 413 F C 2.282 178.093 175.800 0.018 0.000 1.097 413 F CA 1.445 59.427 58.000 -0.030 0.000 1.264 413 F CB -0.385 38.643 39.000 0.046 0.000 1.001 413 F HN 0.088 nan 8.300 nan 0.000 0.479 414 A N 0.282 123.135 122.820 0.056 0.000 1.898 414 A HA -0.225 4.094 4.320 -0.002 0.000 0.216 414 A C 2.175 179.744 177.584 -0.025 0.000 1.181 414 A CA 1.736 53.800 52.037 0.045 0.000 0.620 414 A CB -1.176 17.865 19.000 0.069 0.000 0.819 414 A HN 0.534 nan 8.150 nan 0.000 0.442 415 N N 0.597 119.269 118.700 -0.046 0.000 2.025 415 N HA -0.147 4.592 4.740 -0.002 0.000 0.194 415 N C 1.650 177.091 175.510 -0.116 0.000 1.044 415 N CA 2.127 55.146 53.050 -0.052 0.000 0.851 415 N CB -0.553 37.916 38.487 -0.030 0.000 1.036 415 N HN 0.471 nan 8.380 nan 0.000 0.422 416 L N -0.818 120.281 121.223 -0.208 0.000 2.083 416 L HA -0.133 4.206 4.340 -0.002 0.000 0.209 416 L C 2.432 179.140 176.870 -0.269 0.000 1.083 416 L CA 0.809 55.474 54.840 -0.291 0.000 0.752 416 L CB -0.503 41.341 42.059 -0.358 0.000 0.899 416 L HN 0.387 nan 8.230 nan 0.000 0.433 417 W N 1.211 122.196 121.300 -0.526 0.000 2.525 417 W HA -0.078 4.581 4.660 -0.002 0.000 0.259 417 W C 1.786 178.140 176.519 -0.275 0.000 1.253 417 W CA 1.078 58.115 57.345 -0.513 0.000 1.262 417 W CB -0.025 28.993 29.460 -0.737 0.000 1.122 417 W HN 0.160 nan 8.180 nan 0.000 0.607 418 G N 1.225 109.926 108.800 -0.165 0.000 2.464 418 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.214 418 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.214 418 G C 1.570 176.339 174.900 -0.217 0.000 1.218 418 G CA 0.827 45.832 45.100 -0.157 0.000 0.794 418 G HN 0.167 nan 8.290 nan 0.000 0.542 419 R N -0.345 120.052 120.500 -0.172 0.000 2.154 419 R HA -0.051 4.288 4.340 -0.002 0.000 0.248 419 R C 2.429 178.599 176.300 -0.217 0.000 1.155 419 R CA 1.140 57.148 56.100 -0.153 0.000 0.979 419 R CB -0.402 29.834 30.300 -0.106 0.000 0.869 419 R HN 0.372 nan 8.270 nan 0.000 0.452 420 L N -0.018 121.001 121.223 -0.341 0.000 2.513 420 L HA 0.052 4.391 4.340 -0.002 0.000 0.222 420 L C 1.958 178.512 176.870 -0.528 0.000 1.096 420 L CA 0.504 55.109 54.840 -0.391 0.000 0.857 420 L CB 0.214 42.023 42.059 -0.417 0.000 1.026 420 L HN 0.047 nan 8.230 nan 0.000 0.469 421 E N -0.467 119.307 120.200 -0.709 0.000 2.481 421 E HA -0.026 4.323 4.350 -0.002 0.000 0.195 421 E C 1.230 177.638 176.600 -0.321 0.000 1.047 421 E CA 0.408 56.401 56.400 -0.677 0.000 0.867 421 E CB 0.128 29.314 29.700 -0.857 0.000 0.858 421 E HN 0.452 nan 8.360 nan 0.000 0.513 422 G N 0.857 109.514 108.800 -0.238 0.000 3.639 422 G HA2 0.052 4.011 3.960 -0.002 0.000 0.279 422 G HA3 0.052 4.011 3.960 -0.002 0.000 0.279 422 G C -0.369 174.468 174.900 -0.104 0.000 1.312 422 G CA -0.178 44.842 45.100 -0.132 0.000 1.355 422 G HN -0.007 nan 8.290 nan 0.000 0.595 423 E N 0.169 120.301 120.200 -0.114 0.000 2.874 423 E HA 0.223 4.572 4.350 -0.002 0.000 0.320 423 E C 0.734 177.316 176.600 -0.031 0.000 1.141 423 E CA -0.332 56.025 56.400 -0.072 0.000 0.774 423 E CB 0.617 30.257 29.700 -0.100 0.000 1.542 423 E HN 0.341 nan 8.360 nan 0.000 0.380 424 E N 1.322 121.526 120.200 0.007 0.000 2.204 424 E HA -0.096 4.253 4.350 -0.002 0.000 0.194 424 E C 1.466 178.132 176.600 0.110 0.000 0.989 424 E CA 0.731 57.166 56.400 0.058 0.000 0.824 424 E CB 0.153 29.887 29.700 0.056 0.000 0.756 424 E HN 0.195 nan 8.360 nan 0.000 0.477 425 R N 0.323 120.873 120.500 0.083 0.000 2.119 425 R HA 0.125 4.464 4.340 -0.002 0.000 0.222 425 R C 2.220 178.631 176.300 0.186 0.000 1.088 425 R CA 0.692 56.866 56.100 0.123 0.000 0.984 425 R CB -0.263 30.075 30.300 0.063 0.000 0.884 425 R HN 0.305 nan 8.270 nan 0.000 0.447 426 L N 0.380 121.666 121.223 0.105 0.000 2.179 426 L HA -0.085 4.254 4.340 -0.002 0.000 0.208 426 L C 2.281 179.233 176.870 0.136 0.000 1.096 426 L CA 0.374 55.274 54.840 0.099 0.000 0.779 426 L CB -0.270 41.792 42.059 0.005 0.000 0.922 426 L HN 0.115 nan 8.230 nan 0.000 0.443 427 L N -0.147 121.143 121.223 0.113 0.000 2.156 427 L HA -0.210 4.129 4.340 -0.002 0.000 0.208 427 L C 2.254 179.278 176.870 0.257 0.000 1.095 427 L CA 1.701 56.629 54.840 0.147 0.000 0.770 427 L CB -0.987 41.114 42.059 0.070 0.000 0.914 427 L HN 0.529 nan 8.230 nan 0.000 0.439 428 W N 0.183 121.551 121.300 0.112 0.000 2.332 428 W HA -0.296 4.362 4.660 -0.002 0.000 0.321 428 W C 2.154 178.744 176.519 0.118 0.000 1.219 428 W CA 1.087 58.501 57.345 0.115 0.000 1.277 428 W CB -0.693 28.828 29.460 0.102 0.000 1.161 428 W HN 0.122 nan 8.180 nan 0.000 0.476 429 L N 0.683 122.050 121.223 0.240 0.000 2.127 429 L HA -0.245 4.094 4.340 -0.002 0.000 0.211 429 L C 2.560 179.462 176.870 0.054 0.000 1.089 429 L CA 2.102 57.015 54.840 0.122 0.000 0.757 429 L CB -1.617 40.602 42.059 0.265 0.000 0.899 429 L HN 0.168 nan 8.230 nan 0.000 0.434 430 Y N -0.311 119.998 120.300 0.014 0.000 2.243 430 Y HA -0.123 4.426 4.550 -0.002 0.000 0.293 430 Y C 2.569 178.462 175.900 -0.012 0.000 1.124 430 Y CA 1.426 59.552 58.100 0.044 0.000 1.159 430 Y CB 0.001 38.546 38.460 0.142 0.000 1.008 430 Y HN 0.060 nan 8.280 nan 0.000 0.527 431 R N -0.284 120.210 120.500 -0.010 0.000 2.127 431 R HA -0.040 4.298 4.340 -0.002 0.000 0.217 431 R C 1.697 177.814 176.300 -0.305 0.000 1.074 431 R CA 1.245 57.255 56.100 -0.149 0.000 0.991 431 R CB -0.009 30.278 30.300 -0.023 0.000 0.895 431 R HN 0.352 nan 8.270 nan 0.000 0.450 432 E N -0.123 119.777 120.200 -0.500 0.000 2.307 432 E HA 0.014 4.363 4.350 -0.002 0.000 0.195 432 E C 1.734 178.087 176.600 -0.412 0.000 0.975 432 E CA 0.695 56.730 56.400 -0.610 0.000 0.878 432 E CB 0.620 29.548 29.700 -1.287 0.000 0.845 432 E HN 0.107 nan 8.360 nan 0.000 0.488 433 V N 0.897 120.607 119.914 -0.339 0.000 3.001 433 V HA -0.013 4.106 4.120 -0.002 0.000 0.228 433 V C 1.965 177.958 176.094 -0.168 0.000 1.204 433 V CA 0.389 62.561 62.300 -0.214 0.000 1.247 433 V CB -0.002 31.722 31.823 -0.166 0.000 1.093 433 V HN -0.028 nan 8.190 nan 0.000 0.504 434 E N 0.756 120.874 120.200 -0.137 0.000 2.072 434 E HA -0.138 4.210 4.350 -0.002 0.000 0.191 434 E C 2.196 178.667 176.600 -0.215 0.000 0.985 434 E CA 1.062 57.401 56.400 -0.101 0.000 0.801 434 E CB -0.183 29.546 29.700 0.048 0.000 0.750 434 E HN 0.356 nan 8.360 nan 0.000 0.452 435 R N 0.313 120.563 120.500 -0.416 0.000 2.062 435 R HA -0.067 4.272 4.340 -0.002 0.000 0.231 435 R C -0.566 175.588 176.300 -0.243 0.000 1.136 435 R CA 1.236 57.091 56.100 -0.409 0.000 0.948 435 R CB -1.021 28.940 30.300 -0.566 0.000 0.845 435 R HN 0.123 nan 8.270 nan 0.000 0.430 436 P HA -0.181 nan 4.420 nan 0.000 0.218 436 P C 1.402 178.601 177.300 -0.167 0.000 1.148 436 P CA 1.032 64.035 63.100 -0.161 0.000 0.822 436 P CB -0.080 31.537 31.700 -0.140 0.000 0.784 437 L N 0.808 121.934 121.223 -0.161 0.000 2.093 437 L HA -0.112 4.227 4.340 -0.002 0.000 0.208 437 L C 2.639 179.413 176.870 -0.160 0.000 1.085 437 L CA 2.139 56.884 54.840 -0.157 0.000 0.755 437 L CB -1.303 40.686 42.059 -0.116 0.000 0.904 437 L HN 0.015 nan 8.230 nan 0.000 0.435 438 S N -0.532 115.089 115.700 -0.131 0.000 2.400 438 S HA -0.196 4.273 4.470 -0.002 0.000 0.232 438 S C 2.101 176.625 174.600 -0.126 0.000 1.025 438 S CA 1.037 59.175 58.200 -0.103 0.000 0.993 438 S CB -0.797 62.358 63.200 -0.075 0.000 0.808 438 S HN 0.506 nan 8.310 nan 0.000 0.478 439 A N 1.438 124.165 122.820 -0.154 0.000 1.873 439 A HA 0.120 4.439 4.320 -0.002 0.000 0.215 439 A C 2.453 179.855 177.584 -0.303 0.000 1.186 439 A CA 1.517 53.461 52.037 -0.156 0.000 0.616 439 A CB -1.159 17.767 19.000 -0.122 0.000 0.823 439 A HN 0.479 nan 8.150 nan 0.000 0.442 440 V N -0.215 119.386 119.914 -0.522 0.000 2.287 440 V HA -0.264 3.855 4.120 -0.002 0.000 0.248 440 V C 2.521 178.370 176.094 -0.409 0.000 1.053 440 V CA 2.052 63.895 62.300 -0.762 0.000 1.027 440 V CB -0.845 30.652 31.823 -0.544 0.000 0.646 440 V HN 0.481 nan 8.190 nan 0.000 0.447 441 L N 0.208 121.272 121.223 -0.264 0.000 2.083 441 L HA -0.126 4.213 4.340 -0.002 0.000 0.209 441 L C 2.557 179.363 176.870 -0.106 0.000 1.083 441 L CA 2.178 56.905 54.840 -0.188 0.000 0.752 441 L CB -1.192 40.809 42.059 -0.097 0.000 0.899 441 L HN 0.295 nan 8.230 nan 0.000 0.433 442 A N -1.071 121.687 122.820 -0.103 0.000 1.851 442 A HA -0.293 4.026 4.320 -0.002 0.000 0.216 442 A C 2.170 179.694 177.584 -0.100 0.000 1.195 442 A CA 2.060 54.040 52.037 -0.095 0.000 0.622 442 A CB -1.038 17.879 19.000 -0.139 0.000 0.831 442 A HN 0.533 nan 8.150 nan 0.000 0.444 443 H N -0.901 118.088 119.070 -0.135 0.000 2.353 443 H HA -0.124 4.430 4.556 -0.002 0.000 0.298 443 H C 2.151 177.456 175.328 -0.038 0.000 1.103 443 H CA 2.167 58.182 56.048 -0.055 0.000 1.293 443 H CB -0.317 29.448 29.762 0.005 0.000 1.372 443 H HN 0.459 nan 8.280 nan 0.000 0.501 444 M N -0.209 119.393 119.600 0.002 0.000 2.065 444 M HA -0.216 4.263 4.480 -0.002 0.000 0.259 444 M C 2.344 178.698 176.300 0.090 0.000 1.069 444 M CA 1.856 57.125 55.300 -0.053 0.000 1.110 444 M CB -0.162 32.227 32.600 -0.351 0.000 1.328 444 M HN 0.326 nan 8.290 nan 0.000 0.405 445 E N 0.027 120.323 120.200 0.161 0.000 2.204 445 E HA -0.158 4.191 4.350 -0.002 0.000 0.194 445 E C 1.771 178.504 176.600 0.222 0.000 0.989 445 E CA 1.174 57.742 56.400 0.280 0.000 0.824 445 E CB 0.104 29.956 29.700 0.254 0.000 0.756 445 E HN 0.495 nan 8.360 nan 0.000 0.477 446 A N -0.238 122.641 122.820 0.099 0.000 1.943 446 A HA -0.027 4.291 4.320 -0.002 0.000 0.213 446 A C 2.295 179.956 177.584 0.129 0.000 1.181 446 A CA 1.260 53.306 52.037 0.016 0.000 0.653 446 A CB -0.480 18.460 19.000 -0.099 0.000 0.833 446 A HN 0.241 nan 8.150 nan 0.000 0.451 447 T N -0.200 114.428 114.554 0.123 0.000 2.708 447 T HA 0.303 4.652 4.350 -0.002 0.000 0.266 447 T C 1.233 175.979 174.700 0.076 0.000 1.037 447 T CA 1.482 63.636 62.100 0.091 0.000 1.146 447 T CB -0.760 68.142 68.868 0.056 0.000 0.865 447 T HN 1.611 nan 8.240 nan 0.000 0.435 448 G N 0.607 109.417 108.800 0.018 0.000 2.819 448 G HA2 -0.091 3.868 3.960 -0.002 0.000 0.682 448 G HA3 -0.091 3.868 3.960 -0.002 0.000 0.682 448 G C -0.418 174.389 174.900 -0.154 0.000 1.481 448 G CA -0.595 44.344 45.100 -0.267 0.000 0.904 448 G HN 1.052 nan 8.290 nan 0.000 0.563 449 V N -1.506 118.318 119.914 -0.150 0.000 2.513 449 V HA 0.842 4.961 4.120 -0.002 0.000 0.299 449 V C 0.748 176.767 176.094 -0.124 0.000 1.035 449 V CA -0.907 61.342 62.300 -0.085 0.000 0.889 449 V CB 1.722 33.568 31.823 0.037 0.000 0.988 449 V HN 1.080 nan 8.190 nan 0.000 0.440 450 R N 2.882 123.320 120.500 -0.105 0.000 2.543 450 R HA 0.559 4.897 4.340 -0.002 0.000 0.277 450 R C -0.825 175.403 176.300 -0.121 0.000 1.074 450 R CA -0.392 55.648 56.100 -0.101 0.000 1.076 450 R CB 0.620 30.874 30.300 -0.077 0.000 0.993 450 R HN 0.844 nan 8.270 nan 0.000 0.459 451 L N 1.756 122.899 121.223 -0.134 0.000 2.365 451 L HA 0.281 4.620 4.340 -0.002 0.000 0.267 451 L C -0.109 176.727 176.870 -0.057 0.000 1.033 451 L CA -0.764 53.976 54.840 -0.167 0.000 0.802 451 L CB 1.420 43.364 42.059 -0.191 0.000 1.267 451 L HN 0.621 nan 8.230 nan 0.000 0.457 452 D N 0.559 120.957 120.400 -0.003 0.000 2.473 452 D HA 0.172 4.811 4.640 -0.002 0.000 0.226 452 D C 0.494 176.844 176.300 0.082 0.000 1.089 452 D CA -0.226 53.812 54.000 0.063 0.000 0.883 452 D CB 1.724 42.594 40.800 0.116 0.000 1.029 452 D HN 0.141 nan 8.370 nan 0.000 0.517 453 V N 3.560 123.500 119.914 0.043 0.000 2.871 453 V HA -0.098 4.021 4.120 -0.002 0.000 0.256 453 V C 2.359 178.480 176.094 0.046 0.000 1.082 453 V CA 1.568 63.886 62.300 0.030 0.000 1.105 453 V CB -0.207 31.623 31.823 0.012 0.000 0.713 453 V HN 0.622 nan 8.190 nan 0.000 0.473 454 A N -0.543 122.319 122.820 0.071 0.000 1.877 454 A HA -0.275 4.044 4.320 -0.002 0.000 0.216 454 A C 2.147 179.801 177.584 0.117 0.000 1.186 454 A CA 2.106 54.190 52.037 0.078 0.000 0.620 454 A CB -0.772 18.278 19.000 0.083 0.000 0.822 454 A HN 0.632 nan 8.150 nan 0.000 0.443 455 Y N 0.196 120.502 120.300 0.009 0.000 2.163 455 Y HA -0.146 4.403 4.550 -0.002 0.000 0.288 455 Y C 2.052 177.961 175.900 0.015 0.000 1.136 455 Y CA 1.700 59.810 58.100 0.016 0.000 1.147 455 Y CB -0.173 38.302 38.460 0.025 0.000 0.987 455 Y HN 0.217 nan 8.280 nan 0.000 0.509 456 L N 0.052 121.245 121.223 -0.050 0.000 2.131 456 L HA -0.239 4.100 4.340 -0.002 0.000 0.210 456 L C 2.504 179.298 176.870 -0.127 0.000 1.092 456 L CA 1.409 56.166 54.840 -0.139 0.000 0.759 456 L CB -0.413 41.619 42.059 -0.044 0.000 0.903 456 L HN 0.213 nan 8.230 nan 0.000 0.435 457 R N -0.470 119.989 120.500 -0.070 0.000 2.093 457 R HA -0.026 4.313 4.340 -0.002 0.000 0.224 457 R C 2.459 178.717 176.300 -0.070 0.000 1.101 457 R CA 1.055 57.122 56.100 -0.055 0.000 0.979 457 R CB -0.437 29.849 30.300 -0.023 0.000 0.877 457 R HN 0.311 nan 8.270 nan 0.000 0.441 458 A N 1.708 124.485 122.820 -0.071 0.000 1.908 458 A HA -0.162 4.157 4.320 -0.002 0.000 0.218 458 A C 2.156 179.666 177.584 -0.124 0.000 1.181 458 A CA 1.090 53.087 52.037 -0.066 0.000 0.627 458 A CB -0.599 18.394 19.000 -0.012 0.000 0.818 458 A HN 0.244 nan 8.150 nan 0.000 0.445 459 L N -0.713 120.357 121.223 -0.254 0.000 2.017 459 L HA -0.174 4.165 4.340 -0.002 0.000 0.208 459 L C 2.861 179.643 176.870 -0.146 0.000 1.073 459 L CA 1.883 56.562 54.840 -0.270 0.000 0.745 459 L CB -0.411 41.385 42.059 -0.439 0.000 0.894 459 L HN 0.503 nan 8.230 nan 0.000 0.432 460 S N -0.197 115.429 115.700 -0.123 0.000 2.374 460 S HA -0.217 4.252 4.470 -0.002 0.000 0.227 460 S C 1.923 176.484 174.600 -0.064 0.000 1.037 460 S CA 1.430 59.581 58.200 -0.081 0.000 1.024 460 S CB -0.228 62.931 63.200 -0.068 0.000 0.861 460 S HN 0.385 nan 8.310 nan 0.000 0.456 461 L N 0.614 121.802 121.223 -0.058 0.000 2.072 461 L HA -0.043 4.296 4.340 -0.002 0.000 0.205 461 L C 2.692 179.539 176.870 -0.038 0.000 1.079 461 L CA 1.636 56.452 54.840 -0.041 0.000 0.752 461 L CB -0.589 41.452 42.059 -0.030 0.000 0.906 461 L HN 0.429 nan 8.230 nan 0.000 0.436 462 E N 0.196 120.368 120.200 -0.046 0.000 2.051 462 E HA -0.201 4.148 4.350 -0.002 0.000 0.192 462 E C 2.213 178.791 176.600 -0.037 0.000 0.991 462 E CA 1.473 57.851 56.400 -0.036 0.000 0.799 462 E CB 0.124 29.799 29.700 -0.042 0.000 0.748 462 E HN 0.189 nan 8.360 nan 0.000 0.449 463 V N 0.787 120.672 119.914 -0.049 0.000 2.453 463 V HA -0.174 3.944 4.120 -0.002 0.000 0.247 463 V C 2.276 178.340 176.094 -0.050 0.000 1.048 463 V CA 1.544 63.815 62.300 -0.048 0.000 1.049 463 V CB -0.428 31.362 31.823 -0.055 0.000 0.672 463 V HN 0.447 nan 8.190 nan 0.000 0.457 464 A N -0.333 122.458 122.820 -0.049 0.000 2.070 464 A HA -0.219 4.099 4.320 -0.002 0.000 0.220 464 A C 2.126 179.693 177.584 -0.029 0.000 1.159 464 A CA 1.878 53.889 52.037 -0.044 0.000 0.656 464 A CB -0.355 18.621 19.000 -0.039 0.000 0.800 464 A HN 0.542 nan 8.150 nan 0.000 0.453 465 E N 0.453 120.638 120.200 -0.024 0.000 2.028 465 E HA -0.148 4.201 4.350 -0.002 0.000 0.191 465 E C 1.869 178.461 176.600 -0.013 0.000 0.988 465 E CA 1.695 58.086 56.400 -0.015 0.000 0.799 465 E CB -0.300 29.392 29.700 -0.012 0.000 0.755 465 E HN 0.687 nan 8.360 nan 0.000 0.447 466 E N -0.078 120.113 120.200 -0.015 0.000 2.118 466 E HA -0.184 4.164 4.350 -0.002 0.000 0.195 466 E C 2.182 178.780 176.600 -0.003 0.000 0.992 466 E CA 1.219 57.613 56.400 -0.010 0.000 0.804 466 E CB -0.196 29.496 29.700 -0.013 0.000 0.741 466 E HN 0.354 nan 8.360 nan 0.000 0.458 467 I N 0.799 121.361 120.570 -0.014 0.000 2.226 467 I HA -0.266 3.903 4.170 -0.002 0.000 0.245 467 I C 2.443 178.592 176.117 0.053 0.000 1.100 467 I CA 0.992 62.296 61.300 0.007 0.000 1.374 467 I CB -0.250 37.708 38.000 -0.070 0.000 1.057 467 I HN 0.101 nan 8.210 nan 0.000 0.413 468 A N 0.473 123.298 122.820 0.008 0.000 2.014 468 A HA -0.121 4.198 4.320 -0.002 0.000 0.218 468 A C 2.302 179.859 177.584 -0.045 0.000 1.163 468 A CA 1.043 53.069 52.037 -0.017 0.000 0.652 468 A CB -0.361 18.633 19.000 -0.010 0.000 0.808 468 A HN 0.269 nan 8.150 nan 0.000 0.449 469 R N -0.472 120.012 120.500 -0.027 0.000 2.073 469 R HA 0.114 4.453 4.340 -0.002 0.000 0.229 469 R C 1.940 178.211 176.300 -0.050 0.000 1.120 469 R CA 1.108 57.190 56.100 -0.030 0.000 0.967 469 R CB -0.435 29.857 30.300 -0.013 0.000 0.862 469 R HN 0.461 nan 8.270 nan 0.000 0.436 470 L N 0.556 121.762 121.223 -0.029 0.000 2.127 470 L HA -0.193 4.145 4.340 -0.002 0.000 0.211 470 L C 2.446 179.220 176.870 -0.160 0.000 1.089 470 L CA 1.372 56.190 54.840 -0.036 0.000 0.757 470 L CB -0.311 41.784 42.059 0.060 0.000 0.899 470 L HN 0.365 nan 8.230 nan 0.000 0.434 471 E N -0.160 119.894 120.200 -0.243 0.000 2.170 471 E HA -0.139 4.210 4.350 -0.002 0.000 0.191 471 E C 2.169 178.319 176.600 -0.750 0.000 0.981 471 E CA 0.783 56.821 56.400 -0.603 0.000 0.830 471 E CB 0.200 29.584 29.700 -0.526 0.000 0.775 471 E HN 0.449 nan 8.360 nan 0.000 0.470 472 A N 1.386 123.997 122.820 -0.348 0.000 1.902 472 A HA -0.212 4.106 4.320 -0.002 0.000 0.217 472 A C 1.879 179.410 177.584 -0.089 0.000 1.181 472 A CA 1.521 53.465 52.037 -0.155 0.000 0.623 472 A CB -0.458 18.514 19.000 -0.047 0.000 0.818 472 A HN 0.256 nan 8.150 nan 0.000 0.443 473 E N -0.386 119.759 120.200 -0.091 0.000 2.070 473 E HA -0.168 4.181 4.350 -0.002 0.000 0.197 473 E C 1.922 178.506 176.600 -0.027 0.000 1.004 473 E CA 1.554 57.933 56.400 -0.035 0.000 0.805 473 E CB -0.328 29.353 29.700 -0.031 0.000 0.744 473 E HN 0.383 nan 8.360 nan 0.000 0.451 474 V N 0.798 120.635 119.914 -0.128 0.000 2.515 474 V HA -0.215 3.903 4.120 -0.002 0.000 0.250 474 V C 1.871 178.073 176.094 0.180 0.000 1.058 474 V CA 1.350 63.614 62.300 -0.060 0.000 1.064 474 V CB -0.457 31.213 31.823 -0.255 0.000 0.675 474 V HN 0.192 nan 8.190 nan 0.000 0.461 475 F N 0.761 120.724 119.950 0.022 0.000 2.163 475 F HA -0.011 4.514 4.527 -0.002 0.000 0.297 475 F C 2.498 178.347 175.800 0.081 0.000 1.094 475 F CA 0.951 58.995 58.000 0.073 0.000 1.290 475 F CB -1.049 37.957 39.000 0.009 0.000 1.017 475 F HN 0.063 nan 8.300 nan 0.000 0.483 476 R N -0.091 120.558 120.500 0.249 0.000 2.080 476 R HA -0.152 4.187 4.340 -0.002 0.000 0.236 476 R C 1.244 177.635 176.300 0.151 0.000 1.137 476 R CA 1.037 57.233 56.100 0.161 0.000 0.943 476 R CB -0.824 29.542 30.300 0.110 0.000 0.846 476 R HN 0.100 nan 8.270 nan 0.000 0.431 477 L N 0.135 121.446 121.223 0.146 0.000 2.930 477 L HA 0.074 4.413 4.340 -0.002 0.000 0.250 477 L C 0.682 177.626 176.870 0.123 0.000 1.320 477 L CA 0.545 55.474 54.840 0.148 0.000 1.163 477 L CB 0.308 42.442 42.059 0.125 0.000 1.542 477 L HN 0.233 nan 8.230 nan 0.000 0.428 478 A N -2.434 120.477 122.820 0.153 0.000 2.574 478 A HA 0.536 4.855 4.320 -0.002 0.000 0.170 478 A C 1.620 179.274 177.584 0.117 0.000 1.617 478 A CA 0.524 52.630 52.037 0.114 0.000 1.189 478 A CB 0.027 19.156 19.000 0.214 0.000 1.496 478 A HN 0.441 nan 8.150 nan 0.000 0.505 479 G N -0.576 108.315 108.800 0.152 0.000 2.550 479 G HA2 -0.283 3.675 3.960 -0.002 0.000 0.233 479 G HA3 -0.283 3.675 3.960 -0.002 0.000 0.233 479 G C 0.252 175.337 174.900 0.309 0.000 1.170 479 G CA 0.692 45.896 45.100 0.173 0.000 0.693 479 G HN 0.871 nan 8.290 nan 0.000 0.512 480 H N 1.081 120.157 119.070 0.009 0.000 2.731 480 H HA 0.441 4.996 4.556 -0.002 0.000 0.368 480 H C -2.466 172.804 175.328 -0.096 0.000 1.168 480 H CA -1.815 54.207 56.048 -0.043 0.000 1.181 480 H CB 2.491 32.219 29.762 -0.056 0.000 1.743 480 H HN 0.136 nan 8.280 nan 0.000 0.547 481 P HA 0.068 nan 4.420 nan 0.000 0.271 481 P C -1.031 176.084 177.300 -0.308 0.000 1.218 481 P CA 0.313 62.837 63.100 -0.960 0.000 0.780 481 P CB 0.430 31.516 31.700 -1.023 0.000 0.901 482 F N -1.201 118.415 119.950 -0.557 0.000 2.985 482 F HA 0.471 4.997 4.527 -0.002 0.000 0.322 482 F C -1.218 174.588 175.800 0.009 0.000 1.187 482 F CA -1.338 56.568 58.000 -0.156 0.000 0.910 482 F CB 1.378 40.345 39.000 -0.054 0.000 1.411 482 F HN 0.088 nan 8.300 nan 0.000 0.492 483 N N 1.734 120.435 118.700 0.003 0.000 2.437 483 N HA 0.245 4.984 4.740 -0.002 0.000 0.243 483 N C 0.555 175.930 175.510 -0.225 0.000 1.041 483 N CA -0.584 52.409 53.050 -0.096 0.000 0.940 483 N CB 0.774 39.274 38.487 0.022 0.000 1.133 483 N HN 0.652 nan 8.380 nan 0.000 0.506 484 L N 2.905 123.862 121.223 -0.444 0.000 2.349 484 L HA -0.158 4.180 4.340 -0.002 0.000 0.220 484 L C 0.892 177.726 176.870 -0.060 0.000 1.130 484 L CA 1.632 56.246 54.840 -0.377 0.000 0.791 484 L CB -0.954 40.742 42.059 -0.604 0.000 0.918 484 L HN 0.695 nan 8.230 nan 0.000 0.444 485 N N -1.750 116.950 118.700 0.000 0.000 2.415 485 N HA -0.038 4.701 4.740 -0.002 0.000 0.174 485 N C 0.699 176.237 175.510 0.046 0.000 1.048 485 N CA -0.072 53.010 53.050 0.052 0.000 0.895 485 N CB 0.285 38.808 38.487 0.059 0.000 1.036 485 N HN -0.007 nan 8.380 nan 0.000 0.449 486 S N 0.912 116.641 115.700 0.049 0.000 2.505 486 S HA 0.156 4.625 4.470 -0.002 0.000 0.276 486 S C 1.119 175.749 174.600 0.049 0.000 1.274 486 S CA -0.579 57.651 58.200 0.049 0.000 1.053 486 S CB 0.454 63.688 63.200 0.057 0.000 0.919 486 S HN 0.135 nan 8.310 nan 0.000 0.490 487 R N 3.347 123.861 120.500 0.023 0.000 2.092 487 R HA -0.061 4.278 4.340 -0.002 0.000 0.231 487 R C 1.442 177.723 176.300 -0.031 0.000 1.119 487 R CA 1.299 57.396 56.100 -0.004 0.000 0.970 487 R CB -0.859 29.439 30.300 -0.004 0.000 0.864 487 R HN 0.709 nan 8.270 nan 0.000 0.440 488 D N 1.194 121.587 120.400 -0.012 0.000 2.116 488 D HA -0.204 4.435 4.640 -0.002 0.000 0.193 488 D C 1.881 178.157 176.300 -0.039 0.000 0.998 488 D CA 1.414 55.400 54.000 -0.022 0.000 0.836 488 D CB 0.039 40.839 40.800 -0.001 0.000 0.951 488 D HN 0.437 nan 8.370 nan 0.000 0.449 489 Q N 0.027 119.835 119.800 0.013 0.000 2.163 489 Q HA 0.046 4.385 4.340 -0.002 0.000 0.198 489 Q C 2.592 178.587 176.000 -0.009 0.000 0.954 489 Q CA 0.147 55.977 55.803 0.045 0.000 0.851 489 Q CB 0.179 29.049 28.738 0.221 0.000 0.928 489 Q HN 0.278 nan 8.270 nan 0.000 0.459 490 L N 1.398 122.660 121.223 0.065 0.000 1.994 490 L HA -0.227 4.111 4.340 -0.002 0.000 0.208 490 L C 2.513 179.220 176.870 -0.271 0.000 1.071 490 L CA 1.906 56.756 54.840 0.016 0.000 0.745 490 L CB -0.420 41.660 42.059 0.035 0.000 0.892 490 L HN 0.393 nan 8.230 nan 0.000 0.431 491 E N -0.359 119.594 120.200 -0.412 0.000 2.268 491 E HA -0.285 4.063 4.350 -0.002 0.000 0.195 491 E C 2.158 178.455 176.600 -0.505 0.000 0.995 491 E CA 0.770 56.655 56.400 -0.859 0.000 0.836 491 E CB -0.304 28.890 29.700 -0.843 0.000 0.763 491 E HN 0.379 nan 8.360 nan 0.000 0.491 492 R N 0.923 121.255 120.500 -0.279 0.000 2.115 492 R HA -0.075 4.264 4.340 -0.002 0.000 0.230 492 R C 1.865 178.038 176.300 -0.213 0.000 1.111 492 R CA 1.126 57.117 56.100 -0.182 0.000 0.976 492 R CB 0.101 30.311 30.300 -0.150 0.000 0.870 492 R HN 0.144 nan 8.270 nan 0.000 0.445 493 V N 0.685 120.401 119.914 -0.329 0.000 2.283 493 V HA -0.152 3.967 4.120 -0.002 0.000 0.239 493 V C 2.257 178.250 176.094 -0.167 0.000 1.035 493 V CA 1.274 63.362 62.300 -0.352 0.000 1.018 493 V CB -0.466 30.937 31.823 -0.700 0.000 0.658 493 V HN 0.231 nan 8.190 nan 0.000 0.459 494 L N -0.472 120.662 121.223 -0.148 0.000 1.997 494 L HA -0.243 4.096 4.340 -0.002 0.000 0.216 494 L C 2.420 179.479 176.870 0.315 0.000 1.074 494 L CA 2.258 57.139 54.840 0.067 0.000 0.763 494 L CB -0.713 41.397 42.059 0.085 0.000 0.890 494 L HN 0.283 nan 8.230 nan 0.000 0.434 495 F N -1.234 118.692 119.950 -0.040 0.000 2.317 495 F HA -0.040 4.486 4.527 -0.002 0.000 0.293 495 F C 1.953 177.736 175.800 -0.029 0.000 1.085 495 F CA -0.041 57.945 58.000 -0.024 0.000 1.390 495 F CB -0.092 38.898 39.000 -0.017 0.000 1.077 495 F HN 0.106 nan 8.300 nan 0.000 0.517 496 D N 0.351 120.835 120.400 0.139 0.000 2.429 496 D HA -0.068 4.570 4.640 -0.002 0.000 0.242 496 D C 1.755 178.063 176.300 0.014 0.000 1.076 496 D CA 0.624 54.656 54.000 0.054 0.000 0.955 496 D CB -0.369 40.438 40.800 0.011 0.000 1.076 496 D HN -0.115 nan 8.370 nan 0.000 0.448 497 E N -0.181 119.999 120.200 -0.034 0.000 2.219 497 E HA -0.085 4.264 4.350 -0.002 0.000 0.198 497 E C 1.020 177.620 176.600 -0.000 0.000 0.998 497 E CA 0.906 57.280 56.400 -0.044 0.000 0.818 497 E CB 0.089 29.727 29.700 -0.104 0.000 0.741 497 E HN 0.274 nan 8.360 nan 0.000 0.477 498 L N -1.791 119.450 121.223 0.029 0.000 3.184 498 L HA 0.321 4.659 4.340 -0.002 0.000 0.283 498 L C 0.681 177.605 176.870 0.090 0.000 1.218 498 L CA -0.130 54.756 54.840 0.077 0.000 1.028 498 L CB 0.624 42.741 42.059 0.096 0.000 1.400 498 L HN 0.109 nan 8.230 nan 0.000 0.591 499 G N 2.260 111.103 108.800 0.072 0.000 2.332 499 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.277 499 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.277 499 G C 0.167 175.099 174.900 0.053 0.000 0.884 499 G CA 0.325 45.459 45.100 0.057 0.000 1.251 499 G HN 0.250 nan 8.290 nan 0.000 0.462 500 L N 0.572 121.842 121.223 0.078 0.000 2.456 500 L HA 0.312 4.651 4.340 -0.002 0.000 0.257 500 L C -1.111 175.742 176.870 -0.027 0.000 1.162 500 L CA -2.014 52.860 54.840 0.058 0.000 0.808 500 L CB 0.506 42.635 42.059 0.117 0.000 1.136 500 L HN 0.105 nan 8.230 nan 0.000 0.466 501 P HA -0.042 nan 4.420 nan 0.000 0.272 501 P C 0.183 177.394 177.300 -0.148 0.000 1.243 501 P CA 0.621 63.681 63.100 -0.067 0.000 0.803 501 P CB 0.388 32.073 31.700 -0.026 0.000 0.974 502 A N -2.021 120.715 122.820 -0.140 0.000 3.420 502 A HA -0.215 4.104 4.320 -0.002 0.000 0.269 502 A C 0.507 177.918 177.584 -0.289 0.000 1.122 502 A CA 1.421 53.346 52.037 -0.185 0.000 1.023 502 A CB -2.424 16.464 19.000 -0.186 0.000 1.099 502 A HN 0.335 nan 8.150 nan 0.000 0.860 514 T N -0.461 114.165 114.554 0.120 0.000 3.409 514 T HA 0.877 5.226 4.350 -0.002 0.000 0.188 514 T C 1.358 176.098 174.700 0.066 0.000 0.929 514 T CA 1.555 63.696 62.100 0.069 0.000 1.184 514 T CB -1.036 67.855 68.868 0.039 0.000 1.570 514 T HN 2.149 nan 8.240 nan 0.000 0.367 515 S N 0.873 116.610 115.700 0.061 0.000 2.564 515 S HA 0.680 5.148 4.470 -0.002 0.000 0.278 515 S C 0.597 175.240 174.600 0.072 0.000 1.333 515 S CA -0.047 58.188 58.200 0.058 0.000 1.048 515 S CB -0.362 62.869 63.200 0.051 0.000 0.900 515 S HN 1.229 nan 8.310 nan 0.000 0.505 516 A N 1.531 124.387 122.820 0.061 0.000 2.386 516 A HA 0.669 4.988 4.320 -0.002 0.000 0.248 516 A C 1.403 179.026 177.584 0.066 0.000 1.082 516 A CA 0.557 52.631 52.037 0.063 0.000 0.789 516 A CB -0.788 18.241 19.000 0.048 0.000 1.025 516 A HN 2.631 nan 8.150 nan 0.000 0.490 517 A N 0.194 123.056 122.820 0.070 0.000 2.847 517 A HA -0.169 4.150 4.320 -0.002 0.000 0.263 517 A C 1.451 179.086 177.584 0.085 0.000 1.391 517 A CA 1.869 53.949 52.037 0.071 0.000 0.866 517 A CB -2.805 16.230 19.000 0.058 0.000 1.057 517 A HN 2.227 nan 8.150 nan 0.000 0.673 518 V N -2.325 117.652 119.914 0.106 0.000 2.428 518 V HA -0.385 3.734 4.120 -0.002 0.000 0.255 518 V C 2.195 178.357 176.094 0.114 0.000 1.080 518 V CA 2.233 64.600 62.300 0.113 0.000 1.083 518 V CB -1.249 30.663 31.823 0.149 0.000 0.665 518 V HN 1.087 nan 8.190 nan 0.000 0.461 519 L N 0.985 122.285 121.223 0.128 0.000 2.167 519 L HA -0.389 3.949 4.340 -0.002 0.000 0.241 519 L C 2.937 179.863 176.870 0.093 0.000 1.123 519 L CA 3.401 58.310 54.840 0.116 0.000 0.849 519 L CB -1.146 40.969 42.059 0.093 0.000 0.947 519 L HN 0.577 nan 8.230 nan 0.000 0.449 520 E N 0.245 120.492 120.200 0.078 0.000 2.149 520 E HA -0.313 4.036 4.350 -0.002 0.000 0.215 520 E C 2.072 178.711 176.600 0.064 0.000 1.055 520 E CA 1.937 58.377 56.400 0.067 0.000 0.870 520 E CB -0.980 28.756 29.700 0.060 0.000 0.764 520 E HN 0.725 nan 8.360 nan 0.000 0.463 521 A N 1.214 124.073 122.820 0.064 0.000 1.902 521 A HA -0.104 4.215 4.320 -0.002 0.000 0.217 521 A C 1.781 179.400 177.584 0.058 0.000 1.181 521 A CA 0.976 53.048 52.037 0.059 0.000 0.623 521 A CB -0.172 18.861 19.000 0.055 0.000 0.818 521 A HN 0.163 nan 8.150 nan 0.000 0.443 522 L N 0.978 122.240 121.223 0.065 0.000 2.998 522 L HA 0.144 4.483 4.340 -0.002 0.000 0.234 522 L C 1.224 178.138 176.870 0.074 0.000 1.350 522 L CA 0.390 55.269 54.840 0.064 0.000 1.202 522 L CB -0.814 41.282 42.059 0.062 0.000 1.583 522 L HN 0.568 nan 8.230 nan 0.000 0.456 523 R N -2.251 118.291 120.500 0.069 0.000 3.192 523 R HA 0.159 4.498 4.340 -0.002 0.000 0.264 523 R C 0.355 176.698 176.300 0.070 0.000 1.464 523 R CA -0.078 56.064 56.100 0.070 0.000 1.309 523 R CB 0.285 30.622 30.300 0.062 0.000 1.283 523 R HN 0.126 nan 8.270 nan 0.000 0.584 524 E N 1.626 121.870 120.200 0.073 0.000 2.928 524 E HA 0.151 4.500 4.350 -0.002 0.000 0.352 524 E C 1.851 178.494 176.600 0.072 0.000 0.523 524 E CA 1.088 57.528 56.400 0.067 0.000 2.011 524 E CB -0.492 29.242 29.700 0.056 0.000 1.898 524 E HN 0.282 nan 8.360 nan 0.000 0.516 525 A N 0.634 123.494 122.820 0.066 0.000 1.898 525 A HA -0.122 4.196 4.320 -0.002 0.000 0.216 525 A C 0.858 178.483 177.584 0.068 0.000 1.181 525 A CA 1.049 53.115 52.037 0.047 0.000 0.620 525 A CB -0.762 18.249 19.000 0.017 0.000 0.819 525 A HN 0.359 nan 8.150 nan 0.000 0.442 526 H N 0.615 119.705 119.070 0.034 0.000 3.026 526 H HA 0.189 4.743 4.556 -0.002 0.000 0.289 526 H C -1.873 173.478 175.328 0.038 0.000 1.022 526 H CA -1.850 54.220 56.048 0.037 0.000 1.477 526 H CB 1.012 30.800 29.762 0.042 0.000 1.510 526 H HN 0.092 nan 8.280 nan 0.000 0.535 527 P HA -0.081 nan 4.420 nan 0.000 0.236 527 P C 1.600 178.982 177.300 0.137 0.000 1.172 527 P CA 0.626 63.825 63.100 0.165 0.000 0.759 527 P CB 0.217 31.993 31.700 0.125 0.000 0.843 528 I N -0.126 120.523 120.570 0.132 0.000 2.339 528 I HA -0.098 4.071 4.170 -0.002 0.000 0.245 528 I C 1.305 177.427 176.117 0.008 0.000 1.096 528 I CA 0.837 62.140 61.300 0.005 0.000 1.408 528 I CB 0.239 38.137 38.000 -0.170 0.000 1.092 528 I HN -0.219 nan 8.210 nan 0.000 0.423 529 V N -1.488 118.439 119.914 0.022 0.000 3.570 529 V HA 0.065 4.184 4.120 -0.002 0.000 0.293 529 V C 1.485 177.612 176.094 0.055 0.000 1.237 529 V CA 0.712 63.036 62.300 0.039 0.000 1.226 529 V CB -0.705 31.151 31.823 0.055 0.000 1.028 529 V HN 0.439 nan 8.190 nan 0.000 0.430 530 E N 0.694 120.925 120.200 0.053 0.000 2.421 530 E HA 0.067 4.416 4.350 -0.002 0.000 0.209 530 E C 1.745 178.374 176.600 0.049 0.000 0.871 530 E CA 0.109 56.541 56.400 0.052 0.000 1.064 530 E CB 0.442 30.172 29.700 0.050 0.000 1.075 530 E HN 0.640 nan 8.360 nan 0.000 0.513 531 K N 0.910 121.334 120.400 0.040 0.000 2.147 531 K HA -0.072 4.247 4.320 -0.002 0.000 0.205 531 K C 2.032 178.655 176.600 0.040 0.000 1.049 531 K CA 0.896 57.202 56.287 0.032 0.000 0.936 531 K CB 0.104 32.609 32.500 0.008 0.000 0.722 531 K HN 0.126 nan 8.250 nan 0.000 0.446 532 I N 1.064 121.653 120.570 0.033 0.000 2.179 532 I HA -0.251 3.918 4.170 -0.002 0.000 0.242 532 I C 2.224 178.413 176.117 0.120 0.000 1.088 532 I CA 1.157 62.484 61.300 0.046 0.000 1.357 532 I CB -0.944 37.084 38.000 0.048 0.000 1.051 532 I HN 0.138 nan 8.210 nan 0.000 0.409 533 L N 0.659 121.935 121.223 0.089 0.000 2.017 533 L HA -0.177 4.162 4.340 -0.002 0.000 0.208 533 L C 2.563 179.481 176.870 0.080 0.000 1.073 533 L CA 1.775 56.665 54.840 0.083 0.000 0.745 533 L CB -1.397 40.699 42.059 0.061 0.000 0.894 533 L HN 0.382 nan 8.230 nan 0.000 0.432 534 Q N -2.172 117.673 119.800 0.074 0.000 2.437 534 Q HA -0.235 4.103 4.340 -0.002 0.000 0.210 534 Q C 1.847 177.888 176.000 0.068 0.000 0.972 534 Q CA 1.071 56.907 55.803 0.055 0.000 0.903 534 Q CB -0.119 28.646 28.738 0.044 0.000 0.967 534 Q HN 0.517 nan 8.270 nan 0.000 0.486 535 Y N 0.657 120.939 120.300 -0.030 0.000 2.347 535 Y HA 0.006 4.554 4.550 -0.002 0.000 0.294 535 Y C 2.010 177.889 175.900 -0.036 0.000 1.117 535 Y CA 0.895 58.966 58.100 -0.048 0.000 1.184 535 Y CB 0.299 38.714 38.460 -0.074 0.000 1.047 535 Y HN -0.145 nan 8.280 nan 0.000 0.546 536 R N 0.195 120.754 120.500 0.098 0.000 2.115 536 R HA -0.132 4.207 4.340 -0.002 0.000 0.230 536 R C 2.004 178.271 176.300 -0.055 0.000 1.111 536 R CA 1.536 57.643 56.100 0.012 0.000 0.976 536 R CB -0.176 30.171 30.300 0.078 0.000 0.870 536 R HN 0.477 nan 8.270 nan 0.000 0.445 537 E N 0.504 120.684 120.200 -0.032 0.000 2.250 537 E HA 0.004 4.352 4.350 -0.002 0.000 0.192 537 E C 1.951 178.518 176.600 -0.055 0.000 0.986 537 E CA 0.117 56.499 56.400 -0.029 0.000 0.849 537 E CB 0.265 29.965 29.700 0.001 0.000 0.797 537 E HN 0.220 nan 8.360 nan 0.000 0.482 538 L N 0.640 121.810 121.223 -0.089 0.000 2.156 538 L HA -0.130 4.209 4.340 -0.002 0.000 0.208 538 L C 2.735 179.513 176.870 -0.153 0.000 1.095 538 L CA 1.596 56.376 54.840 -0.100 0.000 0.770 538 L CB -0.376 41.619 42.059 -0.106 0.000 0.914 538 L HN 0.274 nan 8.230 nan 0.000 0.439 539 T N -3.718 110.682 114.554 -0.257 0.000 2.904 539 T HA -0.144 4.204 4.350 -0.002 0.000 0.267 539 T C 2.010 176.614 174.700 -0.160 0.000 1.059 539 T CA 0.481 62.416 62.100 -0.275 0.000 1.137 539 T CB -0.066 68.525 68.868 -0.461 0.000 0.879 539 T HN 0.009 nan 8.240 nan 0.000 0.467 540 K N 0.987 121.318 120.400 -0.116 0.000 2.002 540 K HA 0.055 4.374 4.320 -0.002 0.000 0.209 540 K C 2.321 178.889 176.600 -0.054 0.000 1.048 540 K CA 1.184 57.429 56.287 -0.070 0.000 0.930 540 K CB -0.898 31.581 32.500 -0.034 0.000 0.714 540 K HN 0.407 nan 8.250 nan 0.000 0.438 541 L N 1.925 123.139 121.223 -0.014 0.000 2.013 541 L HA -0.220 4.119 4.340 -0.002 0.000 0.212 541 L C 2.544 179.427 176.870 0.021 0.000 1.073 541 L CA 1.982 56.854 54.840 0.054 0.000 0.753 541 L CB -0.394 41.702 42.059 0.063 0.000 0.890 541 L HN 0.128 nan 8.230 nan 0.000 0.432 542 K N -0.662 119.719 120.400 -0.031 0.000 1.985 542 K HA -0.165 4.154 4.320 -0.002 0.000 0.210 542 K C 1.984 178.546 176.600 -0.065 0.000 1.047 542 K CA 1.840 58.100 56.287 -0.046 0.000 0.932 542 K CB -0.247 32.207 32.500 -0.075 0.000 0.716 542 K HN 0.584 nan 8.250 nan 0.000 0.439 543 S N -0.463 115.185 115.700 -0.087 0.000 2.555 543 S HA -0.040 4.429 4.470 -0.002 0.000 0.230 543 S C 1.512 176.032 174.600 -0.134 0.000 0.978 543 S CA 1.139 59.281 58.200 -0.097 0.000 0.934 543 S CB 0.082 63.227 63.200 -0.093 0.000 0.766 543 S HN 0.280 nan 8.310 nan 0.000 0.533 544 T N 0.419 114.866 114.554 -0.179 0.000 3.082 544 T HA 0.215 4.564 4.350 -0.002 0.000 0.235 544 T C 0.867 175.282 174.700 -0.476 0.000 0.991 544 T CA 0.472 62.353 62.100 -0.365 0.000 1.220 544 T CB -0.334 68.249 68.868 -0.474 0.000 0.909 544 T HN 0.491 nan 8.240 nan 0.000 0.424 545 Y N 0.157 120.462 120.300 0.009 0.000 2.457 545 Y HA 0.463 5.012 4.550 -0.002 0.000 0.263 545 Y C 1.661 177.576 175.900 0.025 0.000 1.164 545 Y CA -0.118 58.005 58.100 0.039 0.000 1.274 545 Y CB 0.033 38.537 38.460 0.073 0.000 1.097 545 Y HN 0.178 nan 8.280 nan 0.000 0.523 546 I N -1.397 119.222 120.570 0.082 0.000 3.366 546 I HA -0.041 4.127 4.170 -0.002 0.000 0.267 546 I C 1.321 177.433 176.117 -0.009 0.000 1.149 546 I CA 0.277 61.599 61.300 0.036 0.000 1.436 546 I CB -0.019 37.980 38.000 -0.002 0.000 1.379 546 I HN -0.105 nan 8.210 nan 0.000 0.460 547 D N 1.850 122.231 120.400 -0.031 0.000 2.117 547 D HA -0.106 4.533 4.640 -0.002 0.000 0.197 547 D C -0.654 175.620 176.300 -0.044 0.000 0.987 547 D CA 1.653 55.627 54.000 -0.043 0.000 0.829 547 D CB -1.374 39.394 40.800 -0.053 0.000 0.961 547 D HN 0.285 nan 8.370 nan 0.000 0.460 548 P HA 0.071 nan 4.420 nan 0.000 0.230 548 P C 1.631 178.907 177.300 -0.040 0.000 1.168 548 P CA 0.391 63.454 63.100 -0.061 0.000 0.793 548 P CB 0.158 31.803 31.700 -0.091 0.000 0.851 549 L N -0.136 121.076 121.223 -0.018 0.000 2.042 549 L HA -0.105 4.234 4.340 -0.002 0.000 0.210 549 L C -0.408 176.455 176.870 -0.012 0.000 1.076 549 L CA 1.973 56.809 54.840 -0.006 0.000 0.749 549 L CB -2.274 39.789 42.059 0.007 0.000 0.893 549 L HN 0.052 nan 8.230 nan 0.000 0.432 550 P HA -0.137 nan 4.420 nan 0.000 0.219 550 P C 0.800 178.113 177.300 0.021 0.000 1.146 550 P CA 1.176 64.277 63.100 0.001 0.000 0.808 550 P CB -0.026 31.672 31.700 -0.004 0.000 0.779 551 D N -1.158 119.244 120.400 0.004 0.000 2.264 551 D HA -0.062 4.576 4.640 -0.002 0.000 0.208 551 D C 1.292 177.599 176.300 0.011 0.000 0.966 551 D CA 0.893 54.892 54.000 -0.001 0.000 0.864 551 D CB -0.357 40.416 40.800 -0.045 0.000 0.933 551 D HN 0.138 nan 8.370 nan 0.000 0.499 552 L N 0.649 121.888 121.223 0.026 0.000 2.612 552 L HA 0.090 4.428 4.340 -0.002 0.000 0.230 552 L C 0.461 177.512 176.870 0.301 0.000 1.140 552 L CA 0.048 54.933 54.840 0.076 0.000 0.896 552 L CB -0.098 41.975 42.059 0.023 0.000 1.065 552 L HN -0.087 nan 8.230 nan 0.000 0.447 553 I N -0.701 120.029 120.570 0.267 0.000 2.638 553 I HA -0.003 4.166 4.170 -0.002 0.000 0.286 553 I C 0.773 177.127 176.117 0.396 0.000 1.088 553 I CA -0.058 61.404 61.300 0.269 0.000 1.397 553 I CB 0.401 38.474 38.000 0.122 0.000 1.414 553 I HN 0.134 nan 8.210 nan 0.000 0.566 554 H N 7.570 126.749 119.070 0.182 0.000 2.580 554 H HA 0.162 4.716 4.556 -0.002 0.000 0.322 554 H C -1.521 173.738 175.328 -0.115 0.000 1.082 554 H CA -1.380 54.605 56.048 -0.104 0.000 1.383 554 H CB 1.972 31.664 29.762 -0.117 0.000 1.450 554 H HN 0.317 nan 8.280 nan 0.000 0.505 555 P HA -0.131 nan 4.420 nan 0.000 0.217 555 P C 1.031 178.189 177.300 -0.236 0.000 1.150 555 P CA 1.177 64.072 63.100 -0.342 0.000 0.832 555 P CB 0.365 31.854 31.700 -0.352 0.000 0.787 556 R N -0.783 119.557 120.500 -0.266 0.000 2.153 556 R HA 0.041 4.379 4.340 -0.002 0.000 0.218 556 R C 2.064 178.400 176.300 0.060 0.000 1.072 556 R CA 1.539 57.623 56.100 -0.026 0.000 0.990 556 R CB -0.459 29.870 30.300 0.047 0.000 0.889 556 R HN 0.264 nan 8.270 nan 0.000 0.452 557 T N -1.779 112.872 114.554 0.162 0.000 3.056 557 T HA 0.161 4.510 4.350 -0.002 0.000 0.241 557 T C 1.193 175.940 174.700 0.079 0.000 1.006 557 T CA 0.592 62.770 62.100 0.132 0.000 1.115 557 T CB 0.608 69.630 68.868 0.257 0.000 0.939 557 T HN 0.402 nan 8.240 nan 0.000 0.462 558 G N 2.304 111.153 108.800 0.081 0.000 2.160 558 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.244 558 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.244 558 G C -0.009 174.897 174.900 0.010 0.000 1.022 558 G CA -0.068 45.052 45.100 0.034 0.000 0.741 558 G HN 0.535 nan 8.290 nan 0.000 0.508 559 R N -1.678 118.836 120.500 0.024 0.000 2.799 559 R HA 0.704 5.043 4.340 -0.002 0.000 0.270 559 R C -0.742 175.463 176.300 -0.158 0.000 1.010 559 R CA -1.082 54.955 56.100 -0.105 0.000 0.916 559 R CB 1.362 31.550 30.300 -0.186 0.000 1.228 559 R HN 0.264 nan 8.270 nan 0.000 0.469 560 L N 0.998 122.077 121.223 -0.240 0.000 2.312 560 L HA 0.380 4.719 4.340 -0.002 0.000 0.281 560 L C -1.040 175.597 176.870 -0.388 0.000 1.070 560 L CA 0.026 54.778 54.840 -0.146 0.000 0.805 560 L CB 0.799 42.807 42.059 -0.085 0.000 1.174 560 L HN 0.540 nan 8.230 nan 0.000 0.434 561 H N 2.102 121.265 119.070 0.155 0.000 2.786 561 H HA 0.354 4.909 4.556 -0.002 0.000 0.284 561 H C -0.540 174.853 175.328 0.109 0.000 1.104 561 H CA -0.545 55.576 56.048 0.122 0.000 1.339 561 H CB 0.551 30.361 29.762 0.079 0.000 1.427 561 H HN 0.653 nan 8.280 nan 0.000 0.497 562 T N 2.914 117.520 114.554 0.085 0.000 2.867 562 T HA 0.098 4.447 4.350 -0.002 0.000 0.297 562 T C 0.734 175.290 174.700 -0.240 0.000 0.989 562 T CA -0.405 61.634 62.100 -0.102 0.000 1.159 562 T CB 0.412 69.152 68.868 -0.215 0.000 0.928 562 T HN 0.433 nan 8.240 nan 0.000 0.538 563 R N 2.106 122.460 120.500 -0.244 0.000 2.298 563 R HA 0.288 4.626 4.340 -0.002 0.000 0.310 563 R C -0.757 175.306 176.300 -0.394 0.000 1.068 563 R CA -0.188 55.804 56.100 -0.179 0.000 0.957 563 R CB 0.404 30.666 30.300 -0.064 0.000 1.003 563 R HN 0.548 nan 8.270 nan 0.000 0.454 564 F N 2.104 122.066 119.950 0.019 0.000 2.388 564 F HA 0.219 4.745 4.527 -0.002 0.000 0.358 564 F C 0.801 176.591 175.800 -0.017 0.000 1.122 564 F CA -0.612 57.387 58.000 -0.002 0.000 1.056 564 F CB 0.984 39.977 39.000 -0.012 0.000 1.155 564 F HN 0.364 nan 8.300 nan 0.000 0.461 565 N N 2.814 121.575 118.700 0.101 0.000 2.443 565 N HA 0.129 4.868 4.740 -0.002 0.000 0.295 565 N C 0.136 175.648 175.510 0.004 0.000 1.076 565 N CA -0.080 52.986 53.050 0.027 0.000 0.919 565 N CB 1.828 40.305 38.487 -0.016 0.000 1.176 565 N HN 0.797 nan 8.380 nan 0.000 0.487 566 Q N 0.905 120.664 119.800 -0.068 0.000 2.316 566 Q HA 0.101 4.439 4.340 -0.002 0.000 0.235 566 Q C 0.067 175.856 176.000 -0.352 0.000 0.863 566 Q CA 0.461 56.194 55.803 -0.117 0.000 0.939 566 Q CB 0.422 29.113 28.738 -0.077 0.000 1.108 566 Q HN 0.725 nan 8.270 nan 0.000 0.522 567 T N -3.591 110.660 114.554 -0.505 0.000 3.339 567 T HA 0.570 4.919 4.350 -0.002 0.000 0.292 567 T C 0.701 175.083 174.700 -0.530 0.000 1.012 567 T CA 0.128 61.569 62.100 -1.097 0.000 0.937 567 T CB 1.169 69.547 68.868 -0.815 0.000 1.164 567 T HN 0.165 nan 8.240 nan 0.000 0.509 568 A N 1.748 124.437 122.820 -0.219 0.000 2.063 568 A HA 0.395 4.714 4.320 -0.002 0.000 0.211 568 A C 1.488 179.102 177.584 0.051 0.000 1.177 568 A CA 0.644 52.650 52.037 -0.051 0.000 0.759 568 A CB -0.296 18.682 19.000 -0.036 0.000 0.857 568 A HN 0.661 nan 8.150 nan 0.000 0.468 569 T N -3.916 110.701 114.554 0.104 0.000 2.927 569 T HA 0.638 4.987 4.350 -0.002 0.000 0.281 569 T C 1.049 175.871 174.700 0.204 0.000 0.998 569 T CA -0.120 62.063 62.100 0.138 0.000 1.019 569 T CB 1.704 70.639 68.868 0.111 0.000 1.061 569 T HN 0.391 nan 8.240 nan 0.000 0.518 570 A N 1.070 123.966 122.820 0.126 0.000 1.968 570 A HA 0.053 4.372 4.320 -0.002 0.000 0.217 570 A C 2.363 179.993 177.584 0.076 0.000 1.169 570 A CA 1.550 53.645 52.037 0.097 0.000 0.638 570 A CB -1.355 17.682 19.000 0.061 0.000 0.812 570 A HN 1.016 nan 8.150 nan 0.000 0.446 571 T N -4.368 110.239 114.554 0.088 0.000 3.054 571 T HA 0.379 4.728 4.350 -0.002 0.000 0.259 571 T C 1.417 176.179 174.700 0.104 0.000 1.092 571 T CA 1.124 63.273 62.100 0.082 0.000 1.121 571 T CB 0.056 68.973 68.868 0.082 0.000 0.912 571 T HN 1.623 nan 8.240 nan 0.000 0.489 572 G N 1.321 110.225 108.800 0.173 0.000 2.131 572 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.223 572 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.223 572 G C 0.084 175.086 174.900 0.170 0.000 0.990 572 G CA -0.313 44.929 45.100 0.237 0.000 0.671 572 G HN 0.642 nan 8.290 nan 0.000 0.521 573 R N -0.496 120.084 120.500 0.133 0.000 2.641 573 R HA 0.639 4.978 4.340 -0.002 0.000 0.269 573 R C 1.262 177.618 176.300 0.093 0.000 1.074 573 R CA -0.294 55.868 56.100 0.102 0.000 1.133 573 R CB 0.328 30.681 30.300 0.088 0.000 1.029 573 R HN 0.297 nan 8.270 nan 0.000 0.488 574 L N 1.173 122.447 121.223 0.085 0.000 2.453 574 L HA 0.297 4.636 4.340 -0.002 0.000 0.261 574 L C 0.275 177.197 176.870 0.087 0.000 1.179 574 L CA -0.002 54.893 54.840 0.091 0.000 0.813 574 L CB 1.093 43.223 42.059 0.119 0.000 1.110 574 L HN 0.777 nan 8.230 nan 0.000 0.466 575 S N -0.294 115.455 115.700 0.081 0.000 2.661 575 S HA 0.715 5.184 4.470 -0.002 0.000 0.285 575 S C -0.860 173.733 174.600 -0.012 0.000 1.138 575 S CA -0.889 57.333 58.200 0.036 0.000 0.855 575 S CB 1.948 65.153 63.200 0.008 0.000 1.136 575 S HN 0.459 nan 8.310 nan 0.000 0.484 576 S N 0.605 116.243 115.700 -0.103 0.000 2.578 576 S HA 0.716 5.185 4.470 -0.002 0.000 0.301 576 S C 0.236 174.744 174.600 -0.154 0.000 1.091 576 S CA -0.812 57.224 58.200 -0.273 0.000 1.032 576 S CB 1.772 64.800 63.200 -0.287 0.000 1.064 576 S HN 0.730 nan 8.310 nan 0.000 0.508 577 S N 0.544 116.141 115.700 -0.172 0.000 3.148 577 S HA 0.227 4.695 4.470 -0.002 0.000 0.246 577 S C -0.630 173.934 174.600 -0.060 0.000 1.041 577 S CA -0.226 57.923 58.200 -0.085 0.000 0.813 577 S CB 0.197 63.355 63.200 -0.071 0.000 0.813 577 S HN 0.778 nan 8.310 nan 0.000 0.546 578 D N 3.104 123.467 120.400 -0.062 0.000 2.389 578 D HA 0.312 4.951 4.640 -0.002 0.000 0.256 578 D C -2.919 173.385 176.300 0.006 0.000 1.239 578 D CA -1.078 52.904 54.000 -0.030 0.000 0.925 578 D CB 2.051 42.822 40.800 -0.048 0.000 1.145 578 D HN 0.222 nan 8.370 nan 0.000 0.542 579 P HA 0.046 nan 4.420 nan 0.000 0.277 579 P C -0.033 177.340 177.300 0.122 0.000 1.240 579 P CA -0.558 62.618 63.100 0.127 0.000 0.798 579 P CB 1.211 33.090 31.700 0.300 0.000 0.979 580 N N 2.536 121.325 118.700 0.148 0.000 2.406 580 N HA 0.012 4.750 4.740 -0.002 0.000 0.269 580 N C 1.218 176.833 175.510 0.175 0.000 1.210 580 N CA 0.124 53.242 53.050 0.112 0.000 0.966 580 N CB -0.412 38.141 38.487 0.110 0.000 1.293 580 N HN 0.348 nan 8.380 nan 0.000 0.491 581 L N 2.278 123.546 121.223 0.075 0.000 2.265 581 L HA -0.172 4.167 4.340 -0.002 0.000 0.215 581 L C 2.044 178.894 176.870 -0.032 0.000 1.117 581 L CA 0.832 55.697 54.840 0.042 0.000 0.782 581 L CB -0.170 41.916 42.059 0.045 0.000 0.914 581 L HN 0.524 nan 8.230 nan 0.000 0.441 582 Q N 0.167 119.926 119.800 -0.067 0.000 2.364 582 Q HA -0.134 4.205 4.340 -0.002 0.000 0.207 582 Q C 1.391 177.410 176.000 0.031 0.000 0.970 582 Q CA 1.079 56.797 55.803 -0.143 0.000 0.888 582 Q CB 0.127 28.790 28.738 -0.124 0.000 0.951 582 Q HN 0.413 nan 8.270 nan 0.000 0.469 583 N N -0.952 117.776 118.700 0.047 0.000 2.236 583 N HA 0.142 4.881 4.740 -0.002 0.000 0.196 583 N C -0.605 174.862 175.510 -0.072 0.000 1.114 583 N CA 0.083 53.186 53.050 0.088 0.000 0.859 583 N CB 0.518 39.150 38.487 0.243 0.000 0.982 583 N HN 0.204 nan 8.380 nan 0.000 0.493 584 I N 3.775 124.118 120.570 -0.379 0.000 2.578 584 I HA 0.042 4.211 4.170 -0.002 0.000 0.286 584 I C -1.787 174.201 176.117 -0.215 0.000 1.126 584 I CA -1.334 59.623 61.300 -0.571 0.000 1.380 584 I CB 0.272 37.935 38.000 -0.561 0.000 1.408 584 I HN -0.175 nan 8.210 nan 0.000 0.532 585 P HA -0.051 nan 4.420 nan 0.000 0.257 585 P C -0.261 176.971 177.300 -0.113 0.000 1.189 585 P CA 0.267 63.322 63.100 -0.074 0.000 0.780 585 P CB 0.816 32.493 31.700 -0.038 0.000 0.772 586 V N 5.618 125.457 119.914 -0.126 0.000 2.686 586 V HA 0.269 4.387 4.120 -0.002 0.000 0.295 586 V C 1.243 177.247 176.094 -0.150 0.000 1.057 586 V CA -0.207 61.988 62.300 -0.175 0.000 1.012 586 V CB 0.008 31.692 31.823 -0.232 0.000 1.006 586 V HN 0.565 nan 8.190 nan 0.000 0.477 587 R N 1.834 122.242 120.500 -0.153 0.000 3.953 587 R HA -0.141 4.198 4.340 -0.002 0.000 0.340 587 R C 0.406 176.650 176.300 -0.092 0.000 1.195 587 R CA 1.378 57.404 56.100 -0.123 0.000 0.929 587 R CB -2.539 27.685 30.300 -0.127 0.000 1.402 587 R HN 1.159 nan 8.270 nan 0.000 0.540 588 T N -3.701 110.803 114.554 -0.082 0.000 2.927 588 T HA 0.523 4.872 4.350 -0.002 0.000 0.281 588 T C -1.068 173.602 174.700 -0.049 0.000 0.998 588 T CA -1.303 60.763 62.100 -0.056 0.000 1.019 588 T CB 1.754 70.597 68.868 -0.043 0.000 1.061 588 T HN -0.157 nan 8.240 nan 0.000 0.518 589 P HA -0.132 nan 4.420 nan 0.000 0.216 589 P C 1.546 178.837 177.300 -0.014 0.000 1.150 589 P CA 0.743 63.831 63.100 -0.020 0.000 0.843 589 P CB 0.078 31.771 31.700 -0.011 0.000 0.787 590 L N -0.759 120.454 121.223 -0.016 0.000 2.179 590 L HA 0.063 4.402 4.340 -0.002 0.000 0.208 590 L C 2.681 179.542 176.870 -0.015 0.000 1.096 590 L CA 1.962 56.798 54.840 -0.007 0.000 0.779 590 L CB -1.895 40.161 42.059 -0.004 0.000 0.922 590 L HN 0.044 nan 8.230 nan 0.000 0.443 591 G N -0.114 108.657 108.800 -0.049 0.000 2.403 591 G HA2 -0.257 3.701 3.960 -0.002 0.000 0.216 591 G HA3 -0.257 3.701 3.960 -0.002 0.000 0.216 591 G C 1.368 176.204 174.900 -0.107 0.000 1.154 591 G CA 0.590 45.635 45.100 -0.092 0.000 0.784 591 G HN 0.612 nan 8.290 nan 0.000 0.538 592 Q N -0.404 119.338 119.800 -0.097 0.000 2.297 592 Q HA 0.085 4.424 4.340 -0.002 0.000 0.204 592 Q C 2.380 178.378 176.000 -0.003 0.000 0.962 592 Q CA 0.799 56.540 55.803 -0.103 0.000 0.879 592 Q CB -0.139 28.542 28.738 -0.094 0.000 0.947 592 Q HN 0.293 nan 8.270 nan 0.000 0.462 593 R N 1.194 121.720 120.500 0.043 0.000 2.093 593 R HA 0.132 4.471 4.340 -0.002 0.000 0.224 593 R C 1.930 178.355 176.300 0.209 0.000 1.101 593 R CA 1.105 57.291 56.100 0.143 0.000 0.979 593 R CB -0.226 30.128 30.300 0.089 0.000 0.877 593 R HN 0.388 nan 8.270 nan 0.000 0.441 594 I N -0.081 120.569 120.570 0.133 0.000 2.353 594 I HA -0.182 3.986 4.170 -0.002 0.000 0.248 594 I C 1.842 178.171 176.117 0.353 0.000 1.119 594 I CA 1.021 62.446 61.300 0.208 0.000 1.417 594 I CB -0.170 37.910 38.000 0.132 0.000 1.078 594 I HN 0.087 nan 8.210 nan 0.000 0.421 595 R N 0.372 120.981 120.500 0.181 0.000 2.285 595 R HA -0.114 4.225 4.340 -0.002 0.000 0.213 595 R C 2.191 178.728 176.300 0.394 0.000 1.068 595 R CA 0.537 56.760 56.100 0.204 0.000 1.004 595 R CB -0.264 29.804 30.300 -0.387 0.000 0.873 595 R HN 0.330 nan 8.270 nan 0.000 0.467 596 R N 0.528 121.223 120.500 0.326 0.000 2.200 596 R HA 0.051 4.389 4.340 -0.002 0.000 0.208 596 R C 1.628 178.069 176.300 0.234 0.000 1.033 596 R CA 0.795 57.014 56.100 0.199 0.000 1.000 596 R CB 0.098 30.402 30.300 0.007 0.000 0.906 596 R HN 0.110 nan 8.270 nan 0.000 0.462 597 A N 0.174 123.271 122.820 0.462 0.000 2.248 597 A HA 0.024 4.343 4.320 -0.002 0.000 0.210 597 A C -0.268 177.406 177.584 0.150 0.000 1.174 597 A CA 0.346 52.603 52.037 0.366 0.000 0.750 597 A CB -0.210 18.976 19.000 0.309 0.000 0.780 597 A HN 0.206 nan 8.150 nan 0.000 0.478 598 F N 0.760 120.837 119.950 0.212 0.000 2.347 598 F HA 0.503 5.029 4.527 -0.002 0.000 0.366 598 F C 0.235 176.096 175.800 0.102 0.000 1.107 598 F CA -1.231 56.862 58.000 0.155 0.000 1.058 598 F CB 0.953 40.090 39.000 0.228 0.000 1.236 598 F HN 0.196 nan 8.300 nan 0.000 0.456 599 I N 0.266 120.913 120.570 0.127 0.000 2.982 599 I HA 0.966 5.135 4.170 -0.002 0.000 0.312 599 I C -0.174 175.970 176.117 0.045 0.000 1.041 599 I CA -1.287 60.065 61.300 0.087 0.000 1.053 599 I CB 1.605 39.632 38.000 0.046 0.000 1.248 599 I HN 0.439 nan 8.210 nan 0.000 0.471 600 A N 1.961 124.811 122.820 0.051 0.000 2.287 600 A HA 0.348 4.667 4.320 -0.002 0.000 0.273 600 A C 0.075 177.662 177.584 0.005 0.000 1.091 600 A CA -0.386 51.676 52.037 0.041 0.000 0.817 600 A CB 0.494 19.557 19.000 0.105 0.000 1.069 600 A HN 0.880 nan 8.150 nan 0.000 0.492 601 E N -0.805 119.354 120.200 -0.067 0.000 2.410 601 E HA 0.069 4.418 4.350 -0.002 0.000 0.255 601 E C 0.128 176.772 176.600 0.073 0.000 1.194 601 E CA -0.024 56.285 56.400 -0.152 0.000 0.955 601 E CB 0.368 29.675 29.700 -0.655 0.000 0.988 601 E HN 0.634 nan 8.360 nan 0.000 0.461 602 E N -0.082 120.168 120.200 0.084 0.000 2.472 602 E HA 0.005 4.354 4.350 -0.002 0.000 0.200 602 E C 0.539 177.247 176.600 0.180 0.000 1.046 602 E CA 0.850 57.324 56.400 0.122 0.000 0.871 602 E CB 0.304 30.049 29.700 0.076 0.000 0.806 602 E HN 0.506 nan 8.360 nan 0.000 0.533 603 G N -0.738 108.255 108.800 0.322 0.000 4.658 603 G HA2 0.184 4.143 3.960 -0.002 0.000 0.279 603 G HA3 0.184 4.143 3.960 -0.002 0.000 0.279 603 G C -1.014 173.973 174.900 0.145 0.000 0.997 603 G CA -0.679 44.534 45.100 0.189 0.000 0.765 603 G HN -0.052 nan 8.290 nan 0.000 0.442 604 W N -0.140 121.161 121.300 0.001 0.000 2.671 604 W HA 0.840 5.499 4.660 -0.002 0.000 0.360 604 W C -0.102 176.418 176.519 0.003 0.000 1.128 604 W CA -0.897 56.448 57.345 -0.001 0.000 1.184 604 W CB 1.359 30.818 29.460 -0.001 0.000 1.415 604 W HN -0.162 nan 8.180 nan 0.000 0.604 605 L N 1.277 122.637 121.223 0.229 0.000 2.350 605 L HA 0.535 4.874 4.340 -0.002 0.000 0.260 605 L C -0.593 176.359 176.870 0.136 0.000 1.015 605 L CA -1.201 53.723 54.840 0.141 0.000 0.821 605 L CB 1.618 43.725 42.059 0.079 0.000 1.370 605 L HN 0.078 nan 8.230 nan 0.000 0.416 606 L N 1.786 123.071 121.223 0.103 0.000 2.334 606 L HA 0.501 4.840 4.340 -0.002 0.000 0.277 606 L C -0.753 176.160 176.870 0.072 0.000 1.075 606 L CA -0.824 54.063 54.840 0.080 0.000 0.804 606 L CB 1.620 43.722 42.059 0.071 0.000 1.174 606 L HN 0.226 nan 8.230 nan 0.000 0.438 607 V N 2.386 122.332 119.914 0.053 0.000 2.349 607 V HA 0.490 4.609 4.120 -0.002 0.000 0.284 607 V C 0.348 176.469 176.094 0.043 0.000 1.014 607 V CA -0.585 61.742 62.300 0.046 0.000 0.826 607 V CB 1.229 33.070 31.823 0.029 0.000 1.009 607 V HN 0.867 nan 8.190 nan 0.000 0.431 608 A N 5.852 128.720 122.820 0.080 0.000 2.316 608 A HA 0.935 5.254 4.320 -0.002 0.000 0.284 608 A C -0.726 176.890 177.584 0.053 0.000 1.115 608 A CA -0.307 51.792 52.037 0.103 0.000 0.812 608 A CB 0.735 19.867 19.000 0.220 0.000 1.064 608 A HN 0.770 nan 8.150 nan 0.000 0.489 609 L N 1.002 122.241 121.223 0.027 0.000 2.409 609 L HA 0.605 4.944 4.340 -0.002 0.000 0.262 609 L C -1.143 175.697 176.870 -0.050 0.000 0.992 609 L CA -0.440 54.377 54.840 -0.038 0.000 0.817 609 L CB 2.625 44.628 42.059 -0.094 0.000 1.350 609 L HN 0.706 nan 8.230 nan 0.000 0.411 610 D N 0.611 120.959 120.400 -0.086 0.000 2.591 610 D HA 0.195 4.833 4.640 -0.002 0.000 0.222 610 D C -1.303 174.989 176.300 -0.014 0.000 1.360 610 D CA -0.349 53.636 54.000 -0.025 0.000 0.967 610 D CB 0.856 41.679 40.800 0.039 0.000 1.456 610 D HN 0.251 nan 8.370 nan 0.000 0.588 611 Y N 2.596 122.927 120.300 0.052 0.000 2.770 611 Y HA -0.034 4.515 4.550 -0.002 0.000 0.342 611 Y C 2.115 178.038 175.900 0.037 0.000 1.221 611 Y CA 0.201 58.323 58.100 0.036 0.000 1.560 611 Y CB 0.605 39.086 38.460 0.035 0.000 1.213 611 Y HN 0.349 nan 8.280 nan 0.000 0.525 612 S N 2.638 118.457 115.700 0.197 0.000 2.392 612 S HA -0.265 4.203 4.470 -0.002 0.000 0.225 612 S C 0.625 175.305 174.600 0.133 0.000 1.041 612 S CA 1.542 59.824 58.200 0.136 0.000 1.100 612 S CB -0.161 63.104 63.200 0.107 0.000 1.029 612 S HN 0.660 nan 8.310 nan 0.000 0.424 613 Q N -0.544 119.296 119.800 0.066 0.000 3.048 613 Q HA 0.447 4.786 4.340 -0.002 0.000 0.337 613 Q C 0.311 176.272 176.000 -0.065 0.000 0.845 613 Q CA -0.083 55.753 55.803 0.055 0.000 0.942 613 Q CB 0.735 29.506 28.738 0.056 0.000 1.454 613 Q HN 0.325 nan 8.270 nan 0.000 0.392 614 I N 0.434 120.994 120.570 -0.017 0.000 2.264 614 I HA -0.278 3.890 4.170 -0.002 0.000 0.248 614 I C 1.626 177.681 176.117 -0.104 0.000 1.111 614 I CA 1.831 63.066 61.300 -0.110 0.000 1.382 614 I CB 0.385 38.316 38.000 -0.115 0.000 1.060 614 I HN 0.445 nan 8.210 nan 0.000 0.418 615 E N 0.184 120.369 120.200 -0.024 0.000 2.072 615 E HA -0.185 4.164 4.350 -0.002 0.000 0.191 615 E C 2.297 178.865 176.600 -0.054 0.000 0.985 615 E CA 1.402 57.799 56.400 -0.005 0.000 0.801 615 E CB -0.343 29.399 29.700 0.071 0.000 0.750 615 E HN 0.512 nan 8.360 nan 0.000 0.452 616 L N 0.490 121.658 121.223 -0.092 0.000 2.072 616 L HA -0.108 4.231 4.340 -0.002 0.000 0.205 616 L C 2.644 179.410 176.870 -0.172 0.000 1.079 616 L CA 0.981 55.764 54.840 -0.095 0.000 0.752 616 L CB -0.326 41.718 42.059 -0.024 0.000 0.906 616 L HN -0.006 nan 8.230 nan 0.000 0.436 617 R N -0.547 119.700 120.500 -0.421 0.000 2.120 617 R HA -0.113 4.225 4.340 -0.002 0.000 0.234 617 R C 2.229 178.390 176.300 -0.231 0.000 1.123 617 R CA 1.072 56.856 56.100 -0.526 0.000 0.975 617 R CB -0.468 29.474 30.300 -0.596 0.000 0.866 617 R HN 0.195 nan 8.270 nan 0.000 0.446 618 V N 1.612 121.419 119.914 -0.178 0.000 2.323 618 V HA -0.205 3.914 4.120 -0.002 0.000 0.244 618 V C 2.339 178.343 176.094 -0.149 0.000 1.041 618 V CA 1.342 63.568 62.300 -0.123 0.000 1.025 618 V CB -0.487 31.277 31.823 -0.097 0.000 0.656 618 V HN 0.348 nan 8.190 nan 0.000 0.451 619 L N 0.533 121.662 121.223 -0.156 0.000 2.013 619 L HA -0.231 4.107 4.340 -0.002 0.000 0.212 619 L C 2.600 179.324 176.870 -0.243 0.000 1.073 619 L CA 2.622 57.330 54.840 -0.219 0.000 0.753 619 L CB -0.919 41.083 42.059 -0.095 0.000 0.890 619 L HN 0.378 nan 8.230 nan 0.000 0.432 620 A N -0.886 121.858 122.820 -0.127 0.000 1.892 620 A HA -0.317 4.002 4.320 -0.002 0.000 0.218 620 A C 2.275 179.789 177.584 -0.117 0.000 1.188 620 A CA 1.946 53.934 52.037 -0.083 0.000 0.631 620 A CB -1.146 17.905 19.000 0.086 0.000 0.822 620 A HN 0.736 nan 8.150 nan 0.000 0.447 621 H N -0.893 118.069 119.070 -0.180 0.000 2.270 621 H HA -0.101 4.454 4.556 -0.002 0.000 0.299 621 H C 2.015 177.193 175.328 -0.250 0.000 1.077 621 H CA 1.936 57.878 56.048 -0.178 0.000 1.294 621 H CB -0.205 29.458 29.762 -0.164 0.000 1.371 621 H HN 0.311 nan 8.280 nan 0.000 0.491 622 L N 1.187 122.125 121.223 -0.475 0.000 2.083 622 L HA -0.155 4.183 4.340 -0.002 0.000 0.209 622 L C 2.889 179.340 176.870 -0.699 0.000 1.083 622 L CA 2.028 56.444 54.840 -0.706 0.000 0.752 622 L CB -0.749 40.694 42.059 -1.028 0.000 0.899 622 L HN 0.418 nan 8.230 nan 0.000 0.433 623 S N -1.615 113.740 115.700 -0.574 0.000 2.528 623 S HA 0.182 4.650 4.470 -0.002 0.000 0.219 623 S C 1.592 176.092 174.600 -0.167 0.000 0.985 623 S CA 0.312 58.335 58.200 -0.295 0.000 0.914 623 S CB -0.229 62.855 63.200 -0.194 0.000 0.776 623 S HN 0.526 nan 8.310 nan 0.000 0.526 624 G N 1.691 110.364 108.800 -0.212 0.000 2.179 624 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.257 624 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.257 624 G C -0.267 174.576 174.900 -0.095 0.000 1.010 624 G CA 0.339 45.349 45.100 -0.150 0.000 0.736 624 G HN 0.654 nan 8.290 nan 0.000 0.513 625 D N 0.229 120.571 120.400 -0.097 0.000 2.344 625 D HA 0.264 4.903 4.640 -0.002 0.000 0.253 625 D C 1.479 177.739 176.300 -0.067 0.000 1.255 625 D CA -0.186 53.770 54.000 -0.074 0.000 0.894 625 D CB 0.511 41.260 40.800 -0.085 0.000 1.067 625 D HN 0.390 nan 8.370 nan 0.000 0.492 626 E N 2.514 122.682 120.200 -0.053 0.000 2.160 626 E HA -0.183 4.166 4.350 -0.002 0.000 0.195 626 E C 1.297 177.873 176.600 -0.040 0.000 0.991 626 E CA 1.107 57.486 56.400 -0.035 0.000 0.810 626 E CB 0.110 29.798 29.700 -0.020 0.000 0.742 626 E HN 0.473 nan 8.360 nan 0.000 0.466 627 N N -0.240 118.404 118.700 -0.094 0.000 2.333 627 N HA -0.057 4.682 4.740 -0.002 0.000 0.178 627 N C 1.531 176.995 175.510 -0.076 0.000 1.018 627 N CA 0.454 53.401 53.050 -0.171 0.000 0.882 627 N CB -0.087 38.014 38.487 -0.643 0.000 0.984 627 N HN 0.112 nan 8.380 nan 0.000 0.434 628 L N 1.408 122.558 121.223 -0.121 0.000 2.068 628 L HA 0.157 4.496 4.340 -0.002 0.000 0.204 628 L C 2.029 178.805 176.870 -0.157 0.000 1.076 628 L CA 0.884 55.534 54.840 -0.317 0.000 0.753 628 L CB -0.603 41.179 42.059 -0.462 0.000 0.910 628 L HN 0.012 nan 8.230 nan 0.000 0.439 629 I N -0.686 119.865 120.570 -0.031 0.000 2.113 629 I HA -0.393 3.776 4.170 -0.002 0.000 0.242 629 I C 2.450 178.602 176.117 0.058 0.000 1.064 629 I CA 1.436 62.775 61.300 0.066 0.000 1.320 629 I CB -0.222 37.794 38.000 0.027 0.000 1.028 629 I HN 0.199 nan 8.210 nan 0.000 0.406 630 R N 0.103 120.611 120.500 0.013 0.000 2.235 630 R HA -0.043 4.296 4.340 -0.002 0.000 0.213 630 R C 1.957 178.251 176.300 -0.011 0.000 1.059 630 R CA 0.513 56.631 56.100 0.030 0.000 0.997 630 R CB -0.389 29.945 30.300 0.056 0.000 0.884 630 R HN 0.216 nan 8.270 nan 0.000 0.462 631 V N -0.116 119.717 119.914 -0.135 0.000 2.295 631 V HA -0.252 3.867 4.120 -0.002 0.000 0.246 631 V C 1.681 177.617 176.094 -0.263 0.000 1.049 631 V CA 1.877 64.021 62.300 -0.260 0.000 1.024 631 V CB -0.461 31.021 31.823 -0.569 0.000 0.648 631 V HN 0.226 nan 8.190 nan 0.000 0.447 632 F N -0.296 119.655 119.950 0.002 0.000 2.118 632 F HA -0.112 4.414 4.527 -0.002 0.000 0.293 632 F C 2.706 178.512 175.800 0.010 0.000 1.102 632 F CA 1.166 59.164 58.000 -0.003 0.000 1.247 632 F CB -0.554 38.432 39.000 -0.024 0.000 1.017 632 F HN 0.013 nan 8.300 nan 0.000 0.475 633 Q N 0.351 120.263 119.800 0.186 0.000 2.268 633 Q HA -0.219 4.120 4.340 -0.002 0.000 0.210 633 Q C 1.121 177.170 176.000 0.080 0.000 0.988 633 Q CA 1.574 57.444 55.803 0.112 0.000 0.883 633 Q CB -0.261 28.525 28.738 0.080 0.000 0.911 633 Q HN 0.581 nan 8.270 nan 0.000 0.430 634 E N -1.300 118.941 120.200 0.068 0.000 2.501 634 E HA 0.163 4.511 4.350 -0.002 0.000 0.201 634 E C 0.470 177.101 176.600 0.052 0.000 1.016 634 E CA 0.320 56.751 56.400 0.051 0.000 0.920 634 E CB 1.111 30.835 29.700 0.041 0.000 1.023 634 E HN 0.387 nan 8.360 nan 0.000 0.474 635 G N 2.708 111.550 108.800 0.071 0.000 2.212 635 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.255 635 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.255 635 G C 0.036 174.969 174.900 0.056 0.000 1.062 635 G CA -0.080 45.065 45.100 0.075 0.000 0.815 635 G HN -0.001 nan 8.290 nan 0.000 0.497 636 R N -0.061 120.458 120.500 0.031 0.000 2.643 636 R HA 0.423 4.762 4.340 -0.002 0.000 0.272 636 R C -0.329 175.971 176.300 -0.000 0.000 0.995 636 R CA -0.900 55.207 56.100 0.012 0.000 1.032 636 R CB 0.853 31.150 30.300 -0.005 0.000 1.126 636 R HN 0.297 nan 8.270 nan 0.000 0.505 637 D N 1.544 121.954 120.400 0.016 0.000 2.348 637 D HA -0.034 4.605 4.640 -0.002 0.000 0.253 637 D C 1.101 177.369 176.300 -0.053 0.000 1.161 637 D CA -0.241 53.769 54.000 0.016 0.000 0.876 637 D CB 0.823 41.664 40.800 0.068 0.000 1.160 637 D HN 0.367 nan 8.370 nan 0.000 0.459 638 I N 4.535 125.009 120.570 -0.161 0.000 2.179 638 I HA -0.246 3.923 4.170 -0.002 0.000 0.242 638 I C 1.527 177.544 176.117 -0.167 0.000 1.088 638 I CA 1.801 62.937 61.300 -0.274 0.000 1.357 638 I CB -0.355 37.443 38.000 -0.336 0.000 1.051 638 I HN 0.546 nan 8.210 nan 0.000 0.409 639 H N -1.016 118.114 119.070 0.101 0.000 2.457 639 H HA -0.051 4.504 4.556 -0.002 0.000 0.294 639 H C 2.055 177.458 175.328 0.127 0.000 1.064 639 H CA 1.553 57.676 56.048 0.124 0.000 1.330 639 H CB -0.478 29.368 29.762 0.139 0.000 1.395 639 H HN 0.303 nan 8.280 nan 0.000 0.541 640 T N 0.263 114.932 114.554 0.191 0.000 2.732 640 T HA -0.120 4.229 4.350 -0.002 0.000 0.261 640 T C 1.821 176.605 174.700 0.141 0.000 1.040 640 T CA 1.293 63.480 62.100 0.144 0.000 1.145 640 T CB -0.084 68.845 68.868 0.101 0.000 0.866 640 T HN 0.243 nan 8.240 nan 0.000 0.427 641 E N 0.686 120.965 120.200 0.131 0.000 2.110 641 E HA -0.070 4.278 4.350 -0.002 0.000 0.193 641 E C 2.399 179.172 176.600 0.288 0.000 0.988 641 E CA 1.120 57.626 56.400 0.176 0.000 0.804 641 E CB -0.469 29.325 29.700 0.157 0.000 0.745 641 E HN 0.363 nan 8.360 nan 0.000 0.458 642 T N -0.180 114.550 114.554 0.293 0.000 2.701 642 T HA -0.123 4.226 4.350 -0.002 0.000 0.263 642 T C 1.844 176.699 174.700 0.260 0.000 1.040 642 T CA 1.414 63.725 62.100 0.352 0.000 1.147 642 T CB -0.424 68.676 68.868 0.387 0.000 0.865 642 T HN 0.295 nan 8.240 nan 0.000 0.426 643 A N 0.884 123.863 122.820 0.264 0.000 2.024 643 A HA -0.099 4.220 4.320 -0.002 0.000 0.220 643 A C 2.521 180.318 177.584 0.356 0.000 1.164 643 A CA 2.067 54.322 52.037 0.363 0.000 0.643 643 A CB -0.880 18.329 19.000 0.347 0.000 0.806 643 A HN 0.452 nan 8.150 nan 0.000 0.451 644 S N -1.875 113.946 115.700 0.202 0.000 2.357 644 S HA -0.140 4.329 4.470 -0.002 0.000 0.221 644 S C 1.800 176.406 174.600 0.010 0.000 1.031 644 S CA 1.072 59.321 58.200 0.082 0.000 0.982 644 S CB -0.413 62.789 63.200 0.004 0.000 0.853 644 S HN 0.709 nan 8.310 nan 0.000 0.458 645 W N 1.353 122.619 121.300 -0.057 0.000 2.378 645 W HA 0.026 4.685 4.660 -0.002 0.000 0.313 645 W C 2.435 178.856 176.519 -0.163 0.000 1.197 645 W CA 1.019 58.265 57.345 -0.166 0.000 1.304 645 W CB -0.890 28.345 29.460 -0.375 0.000 1.148 645 W HN 0.368 nan 8.180 nan 0.000 0.494 646 M N -1.266 118.371 119.600 0.063 0.000 2.296 646 M HA -0.187 4.291 4.480 -0.002 0.000 0.265 646 M C 1.385 177.513 176.300 -0.286 0.000 1.064 646 M CA 1.651 56.869 55.300 -0.137 0.000 1.109 646 M CB -0.365 32.106 32.600 -0.214 0.000 1.396 646 M HN -0.169 nan 8.290 nan 0.000 0.430 647 F N -0.743 119.250 119.950 0.072 0.000 2.721 647 F HA 0.302 4.828 4.527 -0.002 0.000 0.301 647 F C 1.548 177.360 175.800 0.020 0.000 1.096 647 F CA 0.382 58.421 58.000 0.066 0.000 1.308 647 F CB 0.110 39.143 39.000 0.055 0.000 1.086 647 F HN 0.284 nan 8.300 nan 0.000 0.587 648 G N 1.741 110.606 108.800 0.108 0.000 2.341 648 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.292 648 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.292 648 G C 0.131 175.041 174.900 0.016 0.000 1.021 648 G CA 0.177 45.281 45.100 0.006 0.000 0.905 648 G HN 0.158 nan 8.290 nan 0.000 0.508 649 V N 0.971 120.916 119.914 0.052 0.000 2.617 649 V HA 0.168 4.287 4.120 -0.002 0.000 0.304 649 V C -0.746 175.327 176.094 -0.035 0.000 1.040 649 V CA -0.775 61.539 62.300 0.023 0.000 1.149 649 V CB 0.385 32.222 31.823 0.023 0.000 0.914 649 V HN 0.383 nan 8.190 nan 0.000 0.487 650 P HA -0.036 nan 4.420 nan 0.000 0.225 650 P C 0.495 177.763 177.300 -0.053 0.000 1.054 650 P CA 0.409 63.481 63.100 -0.047 0.000 1.244 650 P CB -0.032 31.649 31.700 -0.032 0.000 1.310 651 R N 1.730 122.182 120.500 -0.081 0.000 3.650 651 R HA -0.247 4.092 4.340 -0.002 0.000 0.550 651 R C 0.231 176.494 176.300 -0.061 0.000 0.241 651 R CA 1.452 57.498 56.100 -0.089 0.000 1.706 651 R CB -1.738 28.520 30.300 -0.071 0.000 0.943 651 R HN 0.469 nan 8.270 nan 0.000 0.591 652 E N 0.814 120.986 120.200 -0.047 0.000 1.865 652 E HA 0.449 4.797 4.350 -0.002 0.000 0.269 652 E C -0.940 175.649 176.600 -0.019 0.000 1.177 652 E CA 0.244 56.631 56.400 -0.021 0.000 0.932 652 E CB 0.940 30.633 29.700 -0.012 0.000 1.066 652 E HN 0.457 nan 8.360 nan 0.000 0.405 653 A N 2.269 125.077 122.820 -0.021 0.000 2.340 653 A HA 0.368 4.687 4.320 -0.002 0.000 0.297 653 A C 0.520 178.086 177.584 -0.030 0.000 1.195 653 A CA -0.874 51.148 52.037 -0.024 0.000 0.769 653 A CB 0.523 19.507 19.000 -0.027 0.000 1.163 653 A HN 0.767 nan 8.150 nan 0.000 0.472 654 V N 0.839 120.738 119.914 -0.025 0.000 5.114 654 V HA -0.356 3.763 4.120 -0.002 0.000 0.239 654 V C 0.614 176.681 176.094 -0.046 0.000 0.680 654 V CA 1.928 64.210 62.300 -0.030 0.000 0.660 654 V CB -2.811 28.994 31.823 -0.030 0.000 0.454 654 V HN 0.883 nan 8.190 nan 0.000 0.752 655 D N 1.687 122.061 120.400 -0.044 0.000 2.177 655 D HA -0.120 4.518 4.640 -0.002 0.000 0.189 655 D C 0.089 176.341 176.300 -0.080 0.000 1.002 655 D CA 2.489 56.446 54.000 -0.071 0.000 0.845 655 D CB -1.296 39.489 40.800 -0.025 0.000 0.960 655 D HN 0.538 nan 8.370 nan 0.000 0.447 656 P HA -0.201 nan 4.420 nan 0.000 0.222 656 P C 0.928 178.201 177.300 -0.045 0.000 1.152 656 P CA 1.022 64.103 63.100 -0.032 0.000 0.838 656 P CB -0.014 31.674 31.700 -0.020 0.000 0.771 657 L N -2.736 118.441 121.223 -0.076 0.000 2.072 657 L HA -0.099 4.240 4.340 -0.002 0.000 0.205 657 L C 2.545 179.355 176.870 -0.100 0.000 1.079 657 L CA 1.730 56.525 54.840 -0.076 0.000 0.752 657 L CB -1.177 40.831 42.059 -0.085 0.000 0.906 657 L HN -0.017 nan 8.230 nan 0.000 0.436 658 M N -1.020 118.455 119.600 -0.209 0.000 2.080 658 M HA -0.201 4.278 4.480 -0.002 0.000 0.260 658 M C 2.134 178.468 176.300 0.058 0.000 1.068 658 M CA 1.438 56.575 55.300 -0.271 0.000 1.109 658 M CB -0.508 31.767 32.600 -0.540 0.000 1.342 658 M HN 0.125 nan 8.290 nan 0.000 0.405 659 R N 0.655 121.175 120.500 0.034 0.000 2.346 659 R HA -0.037 4.302 4.340 -0.002 0.000 0.199 659 R C 1.799 178.131 176.300 0.053 0.000 1.015 659 R CA 0.596 56.748 56.100 0.087 0.000 1.058 659 R CB -0.248 30.094 30.300 0.071 0.000 0.921 659 R HN 0.388 nan 8.270 nan 0.000 0.475 660 R N -0.861 119.652 120.500 0.022 0.000 2.164 660 R HA 0.111 4.450 4.340 -0.002 0.000 0.198 660 R C 1.797 178.095 176.300 -0.003 0.000 1.028 660 R CA 0.861 56.959 56.100 -0.004 0.000 1.083 660 R CB -0.105 30.186 30.300 -0.014 0.000 1.026 660 R HN 0.105 nan 8.270 nan 0.000 0.514 661 A N 1.413 124.231 122.820 -0.002 0.000 1.917 661 A HA -0.164 4.155 4.320 -0.002 0.000 0.219 661 A C 2.310 179.832 177.584 -0.104 0.000 1.182 661 A CA 2.093 54.074 52.037 -0.093 0.000 0.633 661 A CB -0.731 18.190 19.000 -0.131 0.000 0.819 661 A HN 0.507 nan 8.150 nan 0.000 0.448 662 A N -0.517 122.316 122.820 0.023 0.000 1.873 662 A HA -0.133 4.186 4.320 -0.002 0.000 0.215 662 A C 2.133 179.792 177.584 0.126 0.000 1.186 662 A CA 1.935 54.021 52.037 0.080 0.000 0.616 662 A CB -0.485 18.634 19.000 0.197 0.000 0.823 662 A HN 0.553 nan 8.150 nan 0.000 0.442 663 K N -0.819 119.662 120.400 0.134 0.000 2.103 663 K HA -0.159 4.160 4.320 -0.002 0.000 0.207 663 K C 1.900 178.623 176.600 0.206 0.000 1.048 663 K CA 1.918 58.294 56.287 0.147 0.000 0.930 663 K CB -0.306 32.110 32.500 -0.140 0.000 0.716 663 K HN 0.447 nan 8.250 nan 0.000 0.444 664 T N 1.515 116.113 114.554 0.074 0.000 2.867 664 T HA -0.056 4.293 4.350 -0.002 0.000 0.268 664 T C 1.695 176.393 174.700 -0.003 0.000 1.057 664 T CA 0.939 63.068 62.100 0.047 0.000 1.136 664 T CB 0.020 68.885 68.868 -0.006 0.000 0.874 664 T HN 0.140 nan 8.240 nan 0.000 0.466 665 I N 1.737 122.253 120.570 -0.089 0.000 2.193 665 I HA -0.055 4.114 4.170 -0.002 0.000 0.240 665 I C 2.292 178.204 176.117 -0.341 0.000 1.084 665 I CA 0.981 62.126 61.300 -0.258 0.000 1.365 665 I CB -1.371 36.414 38.000 -0.357 0.000 1.064 665 I HN 0.165 nan 8.210 nan 0.000 0.410 666 N N 1.381 119.948 118.700 -0.223 0.000 2.021 666 N HA -0.223 4.516 4.740 -0.002 0.000 0.198 666 N C 1.875 177.197 175.510 -0.314 0.000 1.041 666 N CA 1.754 54.657 53.050 -0.246 0.000 0.862 666 N CB -0.652 37.773 38.487 -0.103 0.000 1.048 666 N HN 0.264 nan 8.380 nan 0.000 0.427 667 F N 0.152 120.116 119.950 0.023 0.000 2.206 667 F HA 0.079 4.605 4.527 -0.002 0.000 0.298 667 F C 2.495 178.314 175.800 0.032 0.000 1.090 667 F CA 0.999 59.028 58.000 0.048 0.000 1.323 667 F CB -0.643 38.389 39.000 0.052 0.000 1.028 667 F HN 0.106 nan 8.300 nan 0.000 0.492 668 G N -0.370 108.513 108.800 0.137 0.000 2.422 668 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.218 668 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.218 668 G C 1.758 176.672 174.900 0.024 0.000 1.140 668 G CA 0.972 46.118 45.100 0.077 0.000 0.775 668 G HN 0.223 nan 8.290 nan 0.000 0.545 669 V N 0.970 120.834 119.914 -0.082 0.000 2.295 669 V HA -0.147 3.972 4.120 -0.002 0.000 0.246 669 V C 2.850 179.000 176.094 0.094 0.000 1.049 669 V CA 1.450 63.714 62.300 -0.059 0.000 1.024 669 V CB -0.543 31.131 31.823 -0.250 0.000 0.648 669 V HN 0.372 nan 8.190 nan 0.000 0.447 670 L N -0.902 120.394 121.223 0.122 0.000 2.054 670 L HA -0.383 3.956 4.340 -0.002 0.000 0.240 670 L C 2.412 179.505 176.870 0.372 0.000 1.107 670 L CA 2.932 57.909 54.840 0.228 0.000 0.833 670 L CB -0.918 41.262 42.059 0.202 0.000 0.929 670 L HN 0.492 nan 8.230 nan 0.000 0.447 671 Y N -0.253 120.180 120.300 0.222 0.000 2.176 671 Y HA 0.086 4.635 4.550 -0.002 0.000 0.291 671 Y C 1.200 177.286 175.900 0.310 0.000 1.122 671 Y CA 0.664 58.907 58.100 0.237 0.000 1.128 671 Y CB 0.382 38.935 38.460 0.155 0.000 1.005 671 Y HN 0.233 nan 8.280 nan 0.000 0.509 672 G N 1.355 110.145 108.800 -0.017 0.000 2.596 672 G HA2 -0.082 3.877 3.960 -0.002 0.000 0.233 672 G HA3 -0.082 3.877 3.960 -0.002 0.000 0.233 672 G C -0.542 174.282 174.900 -0.127 0.000 2.234 672 G CA -0.325 44.761 45.100 -0.024 0.000 0.878 672 G HN 0.297 nan 8.290 nan 0.000 0.491 673 M N 1.939 121.502 119.600 -0.061 0.000 2.474 673 M HA 0.300 4.778 4.480 -0.002 0.000 0.352 673 M C 0.888 177.186 176.300 -0.002 0.000 1.690 673 M CA 0.381 55.663 55.300 -0.030 0.000 1.112 673 M CB 0.394 32.998 32.600 0.006 0.000 2.062 673 M HN 0.355 nan 8.290 nan 0.000 0.461 674 S N 3.462 119.169 115.700 0.012 0.000 2.589 674 S HA 0.347 4.816 4.470 -0.002 0.000 0.265 674 S C 1.241 175.887 174.600 0.076 0.000 1.342 674 S CA 0.210 58.445 58.200 0.059 0.000 1.005 674 S CB 1.147 64.402 63.200 0.091 0.000 0.909 674 S HN 0.841 nan 8.310 nan 0.000 0.555 675 A N 2.098 124.971 122.820 0.089 0.000 1.978 675 A HA -0.158 4.161 4.320 -0.002 0.000 0.220 675 A C 1.901 179.593 177.584 0.180 0.000 1.170 675 A CA 2.339 54.423 52.037 0.079 0.000 0.636 675 A CB -1.247 17.724 19.000 -0.049 0.000 0.810 675 A HN 1.024 nan 8.150 nan 0.000 0.448 676 H N 0.038 119.198 119.070 0.150 0.000 2.321 676 H HA -0.027 4.528 4.556 -0.002 0.000 0.300 676 H C 2.106 177.497 175.328 0.104 0.000 1.087 676 H CA 2.106 58.245 56.048 0.152 0.000 1.319 676 H CB -0.241 29.601 29.762 0.133 0.000 1.379 676 H HN 0.454 nan 8.280 nan 0.000 0.501 677 R N -0.627 119.816 120.500 -0.094 0.000 2.148 677 R HA -0.036 4.302 4.340 -0.002 0.000 0.223 677 R C 2.468 178.745 176.300 -0.038 0.000 1.088 677 R CA 0.875 56.877 56.100 -0.164 0.000 0.985 677 R CB -0.268 29.974 30.300 -0.097 0.000 0.880 677 R HN 0.265 nan 8.270 nan 0.000 0.451 678 L N 0.576 121.812 121.223 0.023 0.000 2.012 678 L HA -0.195 4.144 4.340 -0.002 0.000 0.210 678 L C 2.044 178.960 176.870 0.076 0.000 1.073 678 L CA 1.663 56.532 54.840 0.048 0.000 0.748 678 L CB -0.223 41.874 42.059 0.063 0.000 0.891 678 L HN 0.032 nan 8.230 nan 0.000 0.431 679 S N -1.273 114.489 115.700 0.104 0.000 2.474 679 S HA -0.175 4.294 4.470 -0.002 0.000 0.235 679 S C 1.750 176.404 174.600 0.089 0.000 0.997 679 S CA 0.889 59.168 58.200 0.132 0.000 0.949 679 S CB -0.154 63.160 63.200 0.191 0.000 0.766 679 S HN 0.523 nan 8.310 nan 0.000 0.517 680 Q N 0.699 120.512 119.800 0.021 0.000 1.984 680 Q HA -0.064 4.275 4.340 -0.002 0.000 0.196 680 Q C 2.252 178.263 176.000 0.017 0.000 0.975 680 Q CA 0.948 56.749 55.803 -0.003 0.000 0.827 680 Q CB -0.164 28.521 28.738 -0.089 0.000 0.894 680 Q HN 0.456 nan 8.270 nan 0.000 0.438 681 E N 1.179 121.385 120.200 0.010 0.000 2.038 681 E HA -0.162 4.187 4.350 -0.002 0.000 0.195 681 E C 0.810 177.429 176.600 0.031 0.000 1.000 681 E CA 0.973 57.382 56.400 0.015 0.000 0.803 681 E CB -0.399 29.308 29.700 0.011 0.000 0.750 681 E HN 0.332 nan 8.360 nan 0.000 0.448 682 L N 2.076 123.327 121.223 0.048 0.000 2.389 682 L HA 0.287 4.626 4.340 -0.002 0.000 0.265 682 L C 0.089 177.020 176.870 0.101 0.000 1.167 682 L CA -0.743 54.143 54.840 0.076 0.000 1.045 682 L CB 0.321 42.440 42.059 0.100 0.000 1.351 682 L HN -0.069 nan 8.230 nan 0.000 0.419 683 A N 4.638 127.508 122.820 0.083 0.000 2.509 683 A HA 0.264 4.583 4.320 -0.002 0.000 0.282 683 A C -0.045 177.605 177.584 0.110 0.000 1.159 683 A CA 0.835 52.925 52.037 0.088 0.000 0.863 683 A CB -0.437 18.604 19.000 0.069 0.000 1.029 683 A HN 0.706 nan 8.150 nan 0.000 0.542 684 I N 2.783 123.428 120.570 0.124 0.000 3.229 684 I HA 0.458 4.627 4.170 -0.002 0.000 0.313 684 I C -2.359 173.828 176.117 0.116 0.000 1.317 684 I CA -2.184 59.193 61.300 0.128 0.000 0.940 684 I CB 2.821 40.935 38.000 0.191 0.000 1.315 684 I HN 0.454 nan 8.210 nan 0.000 0.484 685 P HA 0.149 nan 4.420 nan 0.000 0.284 685 P C 0.006 177.376 177.300 0.116 0.000 1.258 685 P CA -0.081 63.080 63.100 0.102 0.000 0.824 685 P CB 0.814 32.555 31.700 0.069 0.000 1.038 686 Y N 1.457 121.774 120.300 0.028 0.000 2.228 686 Y HA -0.309 4.239 4.550 -0.003 0.000 0.285 686 Y C 1.922 177.822 175.900 0.001 0.000 1.178 686 Y CA 2.087 60.203 58.100 0.027 0.000 1.202 686 Y CB 0.040 38.511 38.460 0.017 0.000 0.974 686 Y HN 0.346 nan 8.280 nan 0.000 0.527 687 E N 0.023 120.250 120.200 0.045 0.000 2.051 687 E HA -0.141 4.208 4.350 -0.002 0.000 0.189 687 E C 2.109 178.617 176.600 -0.153 0.000 0.979 687 E CA 1.338 57.704 56.400 -0.057 0.000 0.803 687 E CB -0.301 29.406 29.700 0.013 0.000 0.761 687 E HN 0.575 nan 8.360 nan 0.000 0.451 688 E N 0.134 120.235 120.200 -0.165 0.000 2.110 688 E HA -0.172 4.177 4.350 -0.002 0.000 0.193 688 E C 1.863 178.146 176.600 -0.527 0.000 0.988 688 E CA 0.982 57.164 56.400 -0.362 0.000 0.804 688 E CB -0.057 29.451 29.700 -0.319 0.000 0.745 688 E HN 0.236 nan 8.360 nan 0.000 0.458 689 A N 1.033 123.720 122.820 -0.221 0.000 1.877 689 A HA -0.238 4.081 4.320 -0.002 0.000 0.216 689 A C 2.182 179.715 177.584 -0.085 0.000 1.186 689 A CA 1.574 53.590 52.037 -0.034 0.000 0.620 689 A CB -0.632 18.388 19.000 0.034 0.000 0.822 689 A HN 0.341 nan 8.150 nan 0.000 0.443 690 Q N -0.271 119.397 119.800 -0.219 0.000 2.170 690 Q HA -0.137 4.202 4.340 -0.002 0.000 0.203 690 Q C 2.132 178.062 176.000 -0.116 0.000 0.976 690 Q CA 1.562 57.242 55.803 -0.205 0.000 0.858 690 Q CB -0.297 28.241 28.738 -0.333 0.000 0.907 690 Q HN 0.585 nan 8.270 nan 0.000 0.433 691 A N 0.009 122.727 122.820 -0.171 0.000 1.898 691 A HA -0.105 4.214 4.320 -0.002 0.000 0.216 691 A C 1.882 179.419 177.584 -0.078 0.000 1.181 691 A CA 0.861 52.805 52.037 -0.155 0.000 0.620 691 A CB -0.983 17.865 19.000 -0.253 0.000 0.819 691 A HN 0.472 nan 8.150 nan 0.000 0.442 692 F N -0.051 119.846 119.950 -0.088 0.000 2.161 692 F HA -0.189 4.337 4.527 -0.002 0.000 0.300 692 F C 2.159 177.888 175.800 -0.118 0.000 1.089 692 F CA 0.915 58.842 58.000 -0.122 0.000 1.282 692 F CB -0.268 38.672 39.000 -0.101 0.000 1.010 692 F HN 0.168 nan 8.300 nan 0.000 0.485 693 I N -0.402 120.224 120.570 0.094 0.000 2.133 693 I HA -0.225 3.944 4.170 -0.002 0.000 0.238 693 I C 2.481 178.615 176.117 0.027 0.000 1.074 693 I CA 1.109 62.401 61.300 -0.012 0.000 1.342 693 I CB -0.446 37.571 38.000 0.030 0.000 1.053 693 I HN -0.009 nan 8.210 nan 0.000 0.404 694 E N 1.023 121.286 120.200 0.105 0.000 2.204 694 E HA -0.159 4.189 4.350 -0.002 0.000 0.195 694 E C 2.229 178.885 176.600 0.094 0.000 0.990 694 E CA 0.950 57.450 56.400 0.165 0.000 0.821 694 E CB -0.074 29.686 29.700 0.099 0.000 0.750 694 E HN 0.350 nan 8.360 nan 0.000 0.477 695 R N -0.915 119.608 120.500 0.038 0.000 2.189 695 R HA -0.128 4.211 4.340 -0.002 0.000 0.223 695 R C 2.100 178.376 176.300 -0.041 0.000 1.092 695 R CA 0.804 56.904 56.100 -0.000 0.000 0.989 695 R CB -0.190 30.108 30.300 -0.004 0.000 0.876 695 R HN 0.254 nan 8.270 nan 0.000 0.457 696 Y N -0.287 119.882 120.300 -0.217 0.000 2.220 696 Y HA -0.149 4.399 4.550 -0.002 0.000 0.291 696 Y C 1.362 177.108 175.900 -0.257 0.000 1.129 696 Y CA 1.321 59.236 58.100 -0.307 0.000 1.161 696 Y CB 0.022 38.197 38.460 -0.475 0.000 0.997 696 Y HN -0.123 nan 8.280 nan 0.000 0.522 697 F N 0.509 120.472 119.950 0.021 0.000 2.661 697 F HA -0.029 4.497 4.527 -0.002 0.000 0.298 697 F C 2.160 177.885 175.800 -0.125 0.000 1.137 697 F CA 0.751 58.715 58.000 -0.059 0.000 1.454 697 F CB -0.607 38.413 39.000 0.032 0.000 1.103 697 F HN 0.173 nan 8.300 nan 0.000 0.577 698 Q N -0.994 118.815 119.800 0.016 0.000 2.269 698 Q HA -0.059 4.280 4.340 -0.002 0.000 0.201 698 Q C 2.245 178.142 176.000 -0.171 0.000 0.946 698 Q CA 1.097 56.877 55.803 -0.040 0.000 0.877 698 Q CB -0.006 28.725 28.738 -0.012 0.000 0.963 698 Q HN 0.235 nan 8.270 nan 0.000 0.472 699 S N -0.081 115.395 115.700 -0.374 0.000 2.377 699 S HA 0.028 4.497 4.470 -0.002 0.000 0.223 699 S C -0.001 173.888 174.600 -1.185 0.000 1.030 699 S CA 0.722 58.386 58.200 -0.894 0.000 0.970 699 S CB 0.216 62.708 63.200 -1.180 0.000 0.830 699 S HN 0.174 nan 8.310 nan 0.000 0.473 700 F N 1.448 121.085 119.950 -0.521 0.000 2.550 700 F HA 0.387 4.913 4.527 -0.002 0.000 0.348 700 F C -2.056 173.626 175.800 -0.197 0.000 1.219 700 F CA -2.633 55.088 58.000 -0.465 0.000 1.203 700 F CB 1.438 40.049 39.000 -0.649 0.000 1.436 700 F HN 0.020 nan 8.300 nan 0.000 0.541 701 P HA -0.069 nan 4.420 nan 0.000 0.230 701 P C 1.163 178.471 177.300 0.013 0.000 1.168 701 P CA 0.771 63.882 63.100 0.019 0.000 0.793 701 P CB 0.539 32.224 31.700 -0.026 0.000 0.851 702 K N 0.064 120.470 120.400 0.011 0.000 2.365 702 K HA 0.027 4.346 4.320 -0.002 0.000 0.199 702 K C 1.955 178.597 176.600 0.070 0.000 1.045 702 K CA 0.560 56.857 56.287 0.018 0.000 0.962 702 K CB -0.662 31.832 32.500 -0.010 0.000 0.759 702 K HN 0.113 nan 8.250 nan 0.000 0.469 703 V N 1.106 121.080 119.914 0.101 0.000 2.379 703 V HA -0.189 3.930 4.120 -0.002 0.000 0.245 703 V C 2.458 178.632 176.094 0.133 0.000 1.044 703 V CA 1.506 63.922 62.300 0.193 0.000 1.036 703 V CB -0.418 31.563 31.823 0.264 0.000 0.664 703 V HN 0.198 nan 8.190 nan 0.000 0.453 704 R N 1.492 121.967 120.500 -0.042 0.000 2.096 704 R HA -0.073 4.266 4.340 -0.002 0.000 0.235 704 R C 2.087 178.275 176.300 -0.186 0.000 1.127 704 R CA 1.905 57.798 56.100 -0.344 0.000 0.968 704 R CB -1.027 28.997 30.300 -0.460 0.000 0.861 704 R HN 0.419 nan 8.270 nan 0.000 0.440 705 A N 1.018 123.798 122.820 -0.066 0.000 1.851 705 A HA -0.212 4.107 4.320 -0.002 0.000 0.216 705 A C 2.271 179.856 177.584 0.001 0.000 1.195 705 A CA 1.546 53.565 52.037 -0.031 0.000 0.622 705 A CB -1.540 17.466 19.000 0.011 0.000 0.831 705 A HN 0.732 nan 8.150 nan 0.000 0.444 706 W N 0.812 122.057 121.300 -0.092 0.000 2.335 706 W HA -0.233 4.426 4.660 -0.002 0.000 0.311 706 W C 1.786 178.260 176.519 -0.074 0.000 1.213 706 W CA 2.020 59.323 57.345 -0.071 0.000 1.274 706 W CB -0.530 28.896 29.460 -0.055 0.000 1.148 706 W HN 0.350 nan 8.180 nan 0.000 0.498 707 I N 1.321 121.665 120.570 -0.377 0.000 2.118 707 I HA -0.381 3.788 4.170 -0.002 0.000 0.241 707 I C 2.502 178.395 176.117 -0.373 0.000 1.070 707 I CA 2.248 63.242 61.300 -0.511 0.000 1.327 707 I CB -0.642 37.072 38.000 -0.476 0.000 1.034 707 I HN 0.045 nan 8.210 nan 0.000 0.405 708 E N 0.317 120.356 120.200 -0.269 0.000 2.107 708 E HA -0.224 4.125 4.350 -0.002 0.000 0.191 708 E C 2.155 178.653 176.600 -0.170 0.000 0.982 708 E CA 0.619 56.908 56.400 -0.186 0.000 0.809 708 E CB -0.122 29.485 29.700 -0.154 0.000 0.756 708 E HN 0.320 nan 8.360 nan 0.000 0.459 709 K N 1.011 121.304 120.400 -0.178 0.000 2.063 709 K HA -0.148 4.170 4.320 -0.002 0.000 0.208 709 K C 2.054 178.523 176.600 -0.217 0.000 1.048 709 K CA 1.522 57.719 56.287 -0.149 0.000 0.928 709 K CB -0.226 32.224 32.500 -0.084 0.000 0.713 709 K HN 0.039 nan 8.250 nan 0.000 0.442 710 T N 2.126 116.448 114.554 -0.386 0.000 2.674 710 T HA -0.077 4.271 4.350 -0.002 0.000 0.265 710 T C 1.951 176.512 174.700 -0.231 0.000 1.039 710 T CA 1.334 63.174 62.100 -0.433 0.000 1.150 710 T CB -0.121 68.252 68.868 -0.826 0.000 0.864 710 T HN 0.176 nan 8.240 nan 0.000 0.427 711 L N 0.744 121.874 121.223 -0.155 0.000 2.131 711 L HA -0.063 4.275 4.340 -0.002 0.000 0.210 711 L C 2.860 179.677 176.870 -0.089 0.000 1.092 711 L CA 1.207 56.002 54.840 -0.075 0.000 0.759 711 L CB -0.419 41.630 42.059 -0.016 0.000 0.903 711 L HN 0.288 nan 8.230 nan 0.000 0.435 712 E N 0.326 120.464 120.200 -0.104 0.000 2.028 712 E HA -0.236 4.112 4.350 -0.002 0.000 0.190 712 E C 2.012 178.550 176.600 -0.103 0.000 0.984 712 E CA 1.033 57.379 56.400 -0.090 0.000 0.800 712 E CB 0.091 29.741 29.700 -0.084 0.000 0.758 712 E HN 0.417 nan 8.360 nan 0.000 0.448 713 E N -0.310 119.815 120.200 -0.125 0.000 2.110 713 E HA -0.130 4.218 4.350 -0.002 0.000 0.193 713 E C 1.914 178.406 176.600 -0.179 0.000 0.988 713 E CA 1.068 57.384 56.400 -0.140 0.000 0.804 713 E CB -0.205 29.414 29.700 -0.134 0.000 0.745 713 E HN 0.323 nan 8.360 nan 0.000 0.458 714 G N 0.761 109.458 108.800 -0.171 0.000 2.484 714 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.218 714 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.218 714 G C 1.675 176.502 174.900 -0.122 0.000 1.130 714 G CA 0.369 45.366 45.100 -0.171 0.000 0.784 714 G HN 0.150 nan 8.290 nan 0.000 0.543 715 R N 0.073 120.516 120.500 -0.096 0.000 2.066 715 R HA 0.031 4.369 4.340 -0.002 0.000 0.232 715 R C 2.597 178.858 176.300 -0.065 0.000 1.131 715 R CA 1.166 57.227 56.100 -0.065 0.000 0.955 715 R CB -0.229 30.038 30.300 -0.056 0.000 0.851 715 R HN 0.275 nan 8.270 nan 0.000 0.432 716 R N 1.059 121.510 120.500 -0.083 0.000 2.062 716 R HA -0.095 4.244 4.340 -0.002 0.000 0.226 716 R C 2.190 178.433 176.300 -0.095 0.000 1.125 716 R CA 1.668 57.722 56.100 -0.075 0.000 0.966 716 R CB -0.174 30.081 30.300 -0.075 0.000 0.861 716 R HN 0.274 nan 8.270 nan 0.000 0.433 717 R N -0.998 119.397 120.500 -0.174 0.000 2.161 717 R HA 0.096 4.435 4.340 -0.002 0.000 0.213 717 R C 1.009 177.199 176.300 -0.183 0.000 1.055 717 R CA 1.124 57.083 56.100 -0.235 0.000 0.996 717 R CB 0.035 30.057 30.300 -0.463 0.000 0.901 717 R HN 0.369 nan 8.270 nan 0.000 0.456 718 G N 0.524 109.234 108.800 -0.151 0.000 2.144 718 G HA2 -0.251 3.707 3.960 -0.002 0.000 0.218 718 G HA3 -0.251 3.707 3.960 -0.002 0.000 0.218 718 G C -0.294 174.709 174.900 0.172 0.000 0.988 718 G CA 0.264 45.388 45.100 0.040 0.000 0.659 718 G HN 0.604 nan 8.290 nan 0.000 0.522 719 Y N -1.963 118.308 120.300 -0.047 0.000 2.624 719 Y HA 0.749 5.298 4.550 -0.001 0.000 0.334 719 Y C -0.320 175.473 175.900 -0.178 0.000 1.155 719 Y CA -1.440 56.527 58.100 -0.221 0.000 1.046 719 Y CB 0.901 38.982 38.460 -0.632 0.000 1.316 719 Y HN 0.916 nan 8.280 nan 0.000 0.457 720 V N -1.164 118.796 119.914 0.076 0.000 3.019 720 V HA 0.828 4.946 4.120 -0.002 0.000 0.317 720 V C -0.668 175.497 176.094 0.119 0.000 1.094 720 V CA -0.980 61.357 62.300 0.061 0.000 1.000 720 V CB 1.963 33.789 31.823 0.005 0.000 1.060 720 V HN 0.954 nan 8.190 nan 0.000 0.443 721 E N 0.217 120.491 120.200 0.125 0.000 2.339 721 E HA 0.577 4.926 4.350 -0.002 0.000 0.262 721 E C -0.929 175.747 176.600 0.126 0.000 0.934 721 E CA -0.869 55.599 56.400 0.113 0.000 0.802 721 E CB 2.299 32.078 29.700 0.132 0.000 1.275 721 E HN 0.804 nan 8.360 nan 0.000 0.427 722 T N 0.914 115.528 114.554 0.101 0.000 2.881 722 T HA 0.091 4.440 4.350 -0.002 0.000 0.278 722 T C 1.012 175.727 174.700 0.023 0.000 0.982 722 T CA -0.522 61.639 62.100 0.102 0.000 0.989 722 T CB 0.786 69.737 68.868 0.137 0.000 1.058 722 T HN 0.372 nan 8.240 nan 0.000 0.529 723 L N 0.696 121.860 121.223 -0.099 0.000 2.079 723 L HA 0.030 4.369 4.340 -0.002 0.000 0.210 723 L C 1.631 178.183 176.870 -0.530 0.000 1.081 723 L CA 1.926 56.549 54.840 -0.361 0.000 0.752 723 L CB -0.655 41.043 42.059 -0.601 0.000 0.896 723 L HN 0.693 nan 8.230 nan 0.000 0.433 724 F N -0.625 119.260 119.950 -0.109 0.000 2.473 724 F HA 0.307 4.833 4.527 -0.002 0.000 0.294 724 F C 2.008 177.785 175.800 -0.039 0.000 1.103 724 F CA 0.749 58.683 58.000 -0.110 0.000 1.442 724 F CB 0.032 39.002 39.000 -0.051 0.000 1.097 724 F HN 0.194 nan 8.300 nan 0.000 0.547 725 G N 0.091 108.964 108.800 0.123 0.000 2.273 725 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.162 725 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.162 725 G C 0.286 175.218 174.900 0.052 0.000 1.006 725 G CA -0.602 44.545 45.100 0.078 0.000 0.704 725 G HN 0.194 nan 8.290 nan 0.000 0.487 726 R N 1.505 122.050 120.500 0.075 0.000 2.489 726 R HA 0.407 4.746 4.340 -0.002 0.000 0.287 726 R C 0.535 176.805 176.300 -0.049 0.000 1.053 726 R CA -0.057 56.048 56.100 0.009 0.000 1.036 726 R CB 0.309 30.631 30.300 0.037 0.000 0.966 726 R HN 0.415 nan 8.270 nan 0.000 0.432 727 R N 4.091 124.497 120.500 -0.156 0.000 2.803 727 R HA 0.434 4.773 4.340 -0.002 0.000 0.276 727 R C -1.165 174.979 176.300 -0.261 0.000 0.978 727 R CA -0.941 55.017 56.100 -0.236 0.000 0.939 727 R CB 1.541 31.520 30.300 -0.537 0.000 1.179 727 R HN 0.607 nan 8.270 nan 0.000 0.472 728 R N 1.976 122.351 120.500 -0.208 0.000 2.393 728 R HA 0.313 4.652 4.340 -0.002 0.000 0.315 728 R C -1.129 175.067 176.300 -0.173 0.000 0.952 728 R CA -0.644 55.375 56.100 -0.134 0.000 0.842 728 R CB 0.971 31.248 30.300 -0.039 0.000 1.163 728 R HN 0.611 nan 8.270 nan 0.000 0.450 729 Y N 2.761 123.082 120.300 0.036 0.000 2.442 729 Y HA 0.133 4.681 4.550 -0.002 0.000 0.330 729 Y C 0.330 176.262 175.900 0.053 0.000 1.129 729 Y CA 0.045 58.193 58.100 0.080 0.000 1.365 729 Y CB 1.362 39.848 38.460 0.044 0.000 1.233 729 Y HN 0.232 nan 8.280 nan 0.000 0.529 730 V N 6.465 126.478 119.914 0.164 0.000 2.320 730 V HA 0.134 4.253 4.120 -0.002 0.000 0.257 730 V C -1.717 174.422 176.094 0.075 0.000 0.996 730 V CA -1.016 61.331 62.300 0.078 0.000 0.928 730 V CB 0.751 32.586 31.823 0.019 0.000 1.169 730 V HN 0.726 nan 8.190 nan 0.000 0.475 731 P HA -0.004 nan 4.420 nan 0.000 0.224 731 P C 0.755 178.072 177.300 0.029 0.000 1.157 731 P CA 0.714 63.849 63.100 0.058 0.000 0.799 731 P CB 0.645 32.379 31.700 0.057 0.000 0.809 732 D N 0.059 120.473 120.400 0.023 0.000 2.310 732 D HA -0.057 4.582 4.640 -0.002 0.000 0.212 732 D C 1.419 177.720 176.300 0.001 0.000 0.965 732 D CA 0.362 54.368 54.000 0.011 0.000 0.879 732 D CB -0.488 40.319 40.800 0.010 0.000 0.921 732 D HN 0.088 nan 8.370 nan 0.000 0.510 733 L N 0.825 122.046 121.223 -0.004 0.000 3.327 733 L HA -0.097 4.241 4.340 -0.002 0.000 0.271 733 L C 0.684 177.547 176.870 -0.011 0.000 1.182 733 L CA 1.251 56.081 54.840 -0.016 0.000 0.964 733 L CB -0.503 41.542 42.059 -0.023 0.000 1.300 733 L HN -0.046 nan 8.230 nan 0.000 0.416 734 E N -1.743 118.454 120.200 -0.005 0.000 2.490 734 E HA 0.226 4.575 4.350 -0.002 0.000 0.184 734 E C 0.480 177.079 176.600 -0.001 0.000 0.927 734 E CA 0.291 56.689 56.400 -0.004 0.000 1.387 734 E CB 0.230 29.927 29.700 -0.004 0.000 1.570 734 E HN 0.367 nan 8.360 nan 0.000 0.762 735 A N 1.536 124.357 122.820 0.001 0.000 2.584 735 A HA -0.044 4.274 4.320 -0.002 0.000 0.239 735 A C 1.024 178.610 177.584 0.004 0.000 1.043 735 A CA 0.514 52.553 52.037 0.003 0.000 0.756 735 A CB 0.194 19.197 19.000 0.005 0.000 0.963 735 A HN 0.201 nan 8.150 nan 0.000 0.511 736 R N 1.517 122.019 120.500 0.004 0.000 2.193 736 R HA -0.003 4.336 4.340 -0.002 0.000 0.213 736 R C 0.083 176.387 176.300 0.006 0.000 1.055 736 R CA 0.480 56.583 56.100 0.004 0.000 0.995 736 R CB -0.179 30.123 30.300 0.003 0.000 0.893 736 R HN 0.609 nan 8.270 nan 0.000 0.459 737 V N 2.800 122.719 119.914 0.007 0.000 2.450 737 V HA -0.068 4.051 4.120 -0.002 0.000 0.281 737 V C 1.390 177.491 176.094 0.011 0.000 1.019 737 V CA 0.192 62.498 62.300 0.010 0.000 1.062 737 V CB 1.052 32.880 31.823 0.010 0.000 0.979 737 V HN 0.104 nan 8.190 nan 0.000 0.477 738 K N 4.894 125.302 120.400 0.013 0.000 2.020 738 K HA -0.194 4.125 4.320 -0.002 0.000 0.212 738 K C 2.227 178.839 176.600 0.019 0.000 1.050 738 K CA 2.305 58.602 56.287 0.016 0.000 0.929 738 K CB -0.403 32.108 32.500 0.018 0.000 0.714 738 K HN 0.839 nan 8.250 nan 0.000 0.443 739 S N -0.393 115.319 115.700 0.021 0.000 2.428 739 S HA -0.092 4.377 4.470 -0.002 0.000 0.230 739 S C 2.044 176.658 174.600 0.023 0.000 1.014 739 S CA 0.889 59.104 58.200 0.025 0.000 0.957 739 S CB -0.535 62.682 63.200 0.029 0.000 0.784 739 S HN 0.233 nan 8.310 nan 0.000 0.499 740 V N 0.820 120.745 119.914 0.018 0.000 2.788 740 V HA 0.187 4.305 4.120 -0.002 0.000 0.251 740 V C 2.433 178.532 176.094 0.008 0.000 1.068 740 V CA 1.340 63.650 62.300 0.016 0.000 1.090 740 V CB -0.739 31.093 31.823 0.015 0.000 0.710 740 V HN 0.495 nan 8.190 nan 0.000 0.467 741 R N -0.053 120.450 120.500 0.006 0.000 2.119 741 R HA -0.105 4.233 4.340 -0.002 0.000 0.222 741 R C 2.270 178.565 176.300 -0.009 0.000 1.088 741 R CA 1.599 57.698 56.100 -0.002 0.000 0.984 741 R CB -0.229 30.072 30.300 0.002 0.000 0.884 741 R HN 0.639 nan 8.270 nan 0.000 0.447 742 E N 0.414 120.615 120.200 0.002 0.000 2.070 742 E HA -0.204 4.145 4.350 -0.002 0.000 0.197 742 E C 1.764 178.347 176.600 -0.027 0.000 1.004 742 E CA 2.019 58.420 56.400 0.001 0.000 0.805 742 E CB -0.161 29.549 29.700 0.017 0.000 0.744 742 E HN 0.473 nan 8.360 nan 0.000 0.451 743 A N 0.585 123.400 122.820 -0.010 0.000 1.877 743 A HA -0.115 4.204 4.320 -0.002 0.000 0.216 743 A C 2.403 179.959 177.584 -0.046 0.000 1.186 743 A CA 1.994 54.029 52.037 -0.003 0.000 0.620 743 A CB -1.013 18.005 19.000 0.029 0.000 0.822 743 A HN 0.367 nan 8.150 nan 0.000 0.443 744 A N -0.094 122.699 122.820 -0.045 0.000 1.940 744 A HA -0.220 4.099 4.320 -0.002 0.000 0.219 744 A C 1.895 179.396 177.584 -0.138 0.000 1.176 744 A CA 1.785 53.786 52.037 -0.060 0.000 0.631 744 A CB -0.567 18.413 19.000 -0.034 0.000 0.814 744 A HN 0.673 nan 8.150 nan 0.000 0.446 745 E N -0.763 119.330 120.200 -0.179 0.000 2.150 745 E HA -0.152 4.197 4.350 -0.002 0.000 0.193 745 E C 2.260 178.332 176.600 -0.880 0.000 0.985 745 E CA 0.694 56.891 56.400 -0.340 0.000 0.814 745 E CB -0.108 29.494 29.700 -0.163 0.000 0.752 745 E HN 0.418 nan 8.360 nan 0.000 0.466 746 R N 0.417 120.541 120.500 -0.626 0.000 2.066 746 R HA -0.083 4.256 4.340 -0.002 0.000 0.232 746 R C 2.258 178.308 176.300 -0.416 0.000 1.131 746 R CA 1.042 56.742 56.100 -0.666 0.000 0.955 746 R CB -0.741 29.493 30.300 -0.110 0.000 0.851 746 R HN 0.219 nan 8.270 nan 0.000 0.432 747 M N 1.176 120.660 119.600 -0.193 0.000 2.108 747 M HA -0.081 4.398 4.480 -0.002 0.000 0.261 747 M C 2.143 178.376 176.300 -0.111 0.000 1.066 747 M CA 1.925 57.173 55.300 -0.087 0.000 1.107 747 M CB -0.394 32.181 32.600 -0.042 0.000 1.356 747 M HN 0.161 nan 8.290 nan 0.000 0.406 748 A N -0.051 122.652 122.820 -0.195 0.000 1.908 748 A HA -0.157 4.161 4.320 -0.002 0.000 0.218 748 A C 1.856 179.394 177.584 -0.077 0.000 1.181 748 A CA 2.121 54.073 52.037 -0.141 0.000 0.627 748 A CB -1.409 17.497 19.000 -0.157 0.000 0.818 748 A HN 0.737 nan 8.150 nan 0.000 0.445 749 F N -1.178 118.772 119.950 0.001 0.000 2.743 749 F HA 0.219 4.744 4.527 -0.002 0.000 0.297 749 F C 1.809 177.701 175.800 0.152 0.000 1.131 749 F CA 0.535 58.550 58.000 0.026 0.000 1.426 749 F CB -0.620 38.394 39.000 0.023 0.000 1.116 749 F HN 0.132 nan 8.300 nan 0.000 0.583 750 N N 0.315 119.138 118.700 0.205 0.000 2.173 750 N HA -0.116 4.623 4.740 -0.002 0.000 0.184 750 N C 2.072 177.696 175.510 0.189 0.000 1.025 750 N CA 0.605 53.794 53.050 0.232 0.000 0.852 750 N CB -0.096 38.493 38.487 0.172 0.000 0.998 750 N HN 0.040 nan 8.380 nan 0.000 0.427 751 M N 1.369 121.046 119.600 0.129 0.000 2.088 751 M HA -0.118 4.360 4.480 -0.002 0.000 0.256 751 M C -1.144 175.248 176.300 0.152 0.000 1.071 751 M CA 2.116 57.482 55.300 0.110 0.000 1.097 751 M CB -1.704 30.935 32.600 0.066 0.000 1.315 751 M HN 0.006 nan 8.290 nan 0.000 0.406 752 P HA -0.085 nan 4.420 nan 0.000 0.218 752 P C 1.721 179.159 177.300 0.231 0.000 1.149 752 P CA 1.084 64.350 63.100 0.278 0.000 0.817 752 P CB 0.042 32.047 31.700 0.508 0.000 0.785 753 V N -0.727 119.335 119.914 0.246 0.000 2.374 753 V HA -0.148 3.971 4.120 -0.002 0.000 0.241 753 V C 2.448 178.613 176.094 0.119 0.000 1.034 753 V CA 1.471 63.865 62.300 0.157 0.000 1.037 753 V CB -1.219 30.718 31.823 0.190 0.000 0.682 753 V HN 0.051 nan 8.190 nan 0.000 0.463 754 Q N 0.412 120.292 119.800 0.134 0.000 2.124 754 Q HA -0.143 4.195 4.340 -0.002 0.000 0.202 754 Q C 2.312 178.372 176.000 0.100 0.000 0.977 754 Q CA 1.733 57.602 55.803 0.110 0.000 0.850 754 Q CB -0.543 28.260 28.738 0.109 0.000 0.901 754 Q HN 0.719 nan 8.270 nan 0.000 0.429 755 G N 0.198 109.062 108.800 0.107 0.000 2.421 755 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.216 755 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.216 755 G C 1.398 176.369 174.900 0.118 0.000 1.171 755 G CA 1.348 46.511 45.100 0.105 0.000 0.775 755 G HN 0.263 nan 8.290 nan 0.000 0.543 756 T N 1.497 116.124 114.554 0.120 0.000 2.821 756 T HA 0.090 4.439 4.350 -0.002 0.000 0.267 756 T C 2.803 177.565 174.700 0.103 0.000 1.046 756 T CA 1.328 63.516 62.100 0.146 0.000 1.139 756 T CB -0.312 68.592 68.868 0.061 0.000 0.871 756 T HN 0.367 nan 8.240 nan 0.000 0.454 757 A N 1.428 124.274 122.820 0.044 0.000 1.940 757 A HA 0.102 4.421 4.320 -0.002 0.000 0.219 757 A C 2.592 180.184 177.584 0.012 0.000 1.176 757 A CA 1.882 53.913 52.037 -0.009 0.000 0.631 757 A CB -1.027 17.978 19.000 0.009 0.000 0.814 757 A HN 0.508 nan 8.150 nan 0.000 0.446 758 A N 0.155 123.007 122.820 0.053 0.000 1.841 758 A HA -0.161 4.157 4.320 -0.002 0.000 0.214 758 A C 1.723 179.322 177.584 0.026 0.000 1.195 758 A CA 1.763 53.836 52.037 0.059 0.000 0.611 758 A CB -0.651 18.397 19.000 0.080 0.000 0.835 758 A HN 0.428 nan 8.150 nan 0.000 0.443 759 D N -0.071 120.337 120.400 0.013 0.000 2.309 759 D HA -0.069 4.570 4.640 -0.002 0.000 0.212 759 D C 1.805 177.970 176.300 -0.226 0.000 0.968 759 D CA 0.686 54.615 54.000 -0.119 0.000 0.882 759 D CB -0.193 40.498 40.800 -0.181 0.000 0.918 759 D HN 0.469 nan 8.370 nan 0.000 0.503 760 L N -0.350 120.819 121.223 -0.090 0.000 2.131 760 L HA -0.064 4.275 4.340 -0.002 0.000 0.206 760 L C 2.247 179.122 176.870 0.008 0.000 1.087 760 L CA 0.366 55.167 54.840 -0.066 0.000 0.767 760 L CB -0.246 41.767 42.059 -0.075 0.000 0.917 760 L HN 0.016 nan 8.230 nan 0.000 0.441 761 M N 0.714 120.348 119.600 0.057 0.000 2.065 761 M HA -0.219 4.259 4.480 -0.002 0.000 0.259 761 M C 2.140 178.490 176.300 0.082 0.000 1.069 761 M CA 1.925 57.336 55.300 0.184 0.000 1.110 761 M CB -0.372 32.334 32.600 0.176 0.000 1.328 761 M HN -0.046 nan 8.290 nan 0.000 0.405 762 K N -0.548 119.861 120.400 0.014 0.000 2.074 762 K HA -0.194 4.124 4.320 -0.002 0.000 0.209 762 K C 1.912 178.482 176.600 -0.050 0.000 1.048 762 K CA 1.650 57.920 56.287 -0.028 0.000 0.926 762 K CB -0.739 31.732 32.500 -0.048 0.000 0.713 762 K HN 0.307 nan 8.250 nan 0.000 0.444 763 L N 0.881 122.058 121.223 -0.077 0.000 2.141 763 L HA -0.045 4.294 4.340 -0.002 0.000 0.209 763 L C 2.136 179.015 176.870 0.015 0.000 1.094 763 L CA 1.441 56.244 54.840 -0.062 0.000 0.763 763 L CB -0.530 41.463 42.059 -0.109 0.000 0.908 763 L HN 0.127 nan 8.230 nan 0.000 0.437 764 A N -0.863 121.993 122.820 0.061 0.000 1.930 764 A HA -0.191 4.128 4.320 -0.002 0.000 0.217 764 A C 2.237 179.853 177.584 0.053 0.000 1.175 764 A CA 1.910 54.003 52.037 0.093 0.000 0.627 764 A CB -0.436 18.665 19.000 0.170 0.000 0.815 764 A HN 0.492 nan 8.150 nan 0.000 0.443 765 M N -0.926 118.692 119.600 0.030 0.000 2.077 765 M HA -0.117 4.361 4.480 -0.002 0.000 0.261 765 M C 2.109 178.421 176.300 0.020 0.000 1.070 765 M CA 1.378 56.684 55.300 0.009 0.000 1.125 765 M CB -0.508 32.073 32.600 -0.033 0.000 1.339 765 M HN 0.209 nan 8.290 nan 0.000 0.409 766 V N 0.893 120.800 119.914 -0.012 0.000 2.380 766 V HA -0.318 3.801 4.120 -0.002 0.000 0.251 766 V C 2.208 178.325 176.094 0.037 0.000 1.063 766 V CA 1.882 64.174 62.300 -0.013 0.000 1.055 766 V CB -0.700 31.086 31.823 -0.061 0.000 0.657 766 V HN 0.455 nan 8.190 nan 0.000 0.455 767 K N -0.965 119.458 120.400 0.037 0.000 2.243 767 K HA 0.086 4.405 4.320 -0.002 0.000 0.201 767 K C 2.020 178.645 176.600 0.041 0.000 1.051 767 K CA 0.739 57.050 56.287 0.041 0.000 0.970 767 K CB 0.005 32.533 32.500 0.047 0.000 0.755 767 K HN 0.366 nan 8.250 nan 0.000 0.465 768 L N -0.184 121.070 121.223 0.052 0.000 2.249 768 L HA -0.032 4.306 4.340 -0.002 0.000 0.207 768 L C 2.107 179.003 176.870 0.044 0.000 1.090 768 L CA 0.310 55.172 54.840 0.036 0.000 0.802 768 L CB -0.121 41.959 42.059 0.035 0.000 0.947 768 L HN 0.069 nan 8.230 nan 0.000 0.453 769 F N 1.810 121.721 119.950 -0.065 0.000 2.120 769 F HA -0.158 4.367 4.527 -0.002 0.000 0.300 769 F C -0.496 175.250 175.800 -0.090 0.000 1.095 769 F CA 1.538 59.485 58.000 -0.089 0.000 1.249 769 F CB -1.434 37.502 39.000 -0.107 0.000 0.995 769 F HN 0.055 nan 8.300 nan 0.000 0.480 770 P HA -0.208 nan 4.420 nan 0.000 0.213 770 P C 1.472 178.644 177.300 -0.213 0.000 1.170 770 P CA 2.340 65.316 63.100 -0.207 0.000 0.902 770 P CB -0.124 31.531 31.700 -0.076 0.000 0.789 771 R N -0.770 119.652 120.500 -0.130 0.000 2.105 771 R HA -0.080 4.258 4.340 -0.002 0.000 0.239 771 R C 2.388 178.612 176.300 -0.127 0.000 1.135 771 R CA 1.084 57.122 56.100 -0.103 0.000 0.967 771 R CB -1.066 29.199 30.300 -0.058 0.000 0.861 771 R HN 0.230 nan 8.270 nan 0.000 0.442 772 L N 0.548 121.675 121.223 -0.160 0.000 2.141 772 L HA -0.147 4.192 4.340 -0.002 0.000 0.209 772 L C 2.197 178.955 176.870 -0.187 0.000 1.094 772 L CA 1.244 55.995 54.840 -0.149 0.000 0.763 772 L CB -0.333 41.649 42.059 -0.128 0.000 0.908 772 L HN 0.260 nan 8.230 nan 0.000 0.437 773 E N 0.290 120.312 120.200 -0.298 0.000 2.106 773 E HA -0.218 4.130 4.350 -0.002 0.000 0.192 773 E C 1.648 178.150 176.600 -0.163 0.000 0.984 773 E CA 0.937 57.177 56.400 -0.266 0.000 0.806 773 E CB -0.018 29.446 29.700 -0.393 0.000 0.750 773 E HN 0.539 nan 8.360 nan 0.000 0.458 774 E N -0.330 119.782 120.200 -0.145 0.000 2.515 774 E HA -0.094 4.254 4.350 -0.002 0.000 0.201 774 E C 1.389 177.937 176.600 -0.086 0.000 1.071 774 E CA 0.451 56.791 56.400 -0.101 0.000 0.880 774 E CB 0.116 29.763 29.700 -0.089 0.000 0.828 774 E HN 0.159 nan 8.360 nan 0.000 0.540 775 M N -1.555 117.990 119.600 -0.092 0.000 2.215 775 M HA 0.200 4.679 4.480 -0.002 0.000 0.391 775 M C 0.187 176.432 176.300 -0.092 0.000 0.914 775 M CA 0.385 55.633 55.300 -0.086 0.000 1.035 775 M CB 1.592 34.145 32.600 -0.078 0.000 1.944 775 M HN 0.079 nan 8.290 nan 0.000 0.656 776 G N 2.335 111.086 108.800 -0.081 0.000 2.370 776 G HA2 -0.031 3.928 3.960 -0.002 0.000 0.295 776 G HA3 -0.031 3.928 3.960 -0.002 0.000 0.295 776 G C -0.343 174.556 174.900 -0.002 0.000 1.045 776 G CA 0.386 45.459 45.100 -0.045 0.000 1.199 776 G HN 0.815 nan 8.290 nan 0.000 0.513 777 A N 0.658 123.497 122.820 0.033 0.000 2.430 777 A HA 0.995 5.313 4.320 -0.002 0.000 0.300 777 A C 0.265 177.936 177.584 0.144 0.000 1.124 777 A CA -0.844 51.274 52.037 0.135 0.000 0.766 777 A CB 1.399 20.428 19.000 0.049 0.000 1.328 777 A HN 0.608 nan 8.150 nan 0.000 0.424 778 R N -0.160 120.452 120.500 0.187 0.000 2.832 778 R HA 0.598 4.937 4.340 -0.002 0.000 0.271 778 R C -0.952 175.395 176.300 0.079 0.000 0.996 778 R CA -0.700 55.469 56.100 0.115 0.000 0.977 778 R CB 1.935 32.279 30.300 0.074 0.000 1.168 778 R HN 0.754 nan 8.270 nan 0.000 0.482 779 M N 3.280 122.929 119.600 0.081 0.000 2.066 779 M HA 0.232 4.711 4.480 -0.002 0.000 0.340 779 M C -0.224 176.054 176.300 -0.037 0.000 1.053 779 M CA -0.241 55.074 55.300 0.024 0.000 0.983 779 M CB 0.776 33.409 32.600 0.056 0.000 1.520 779 M HN 0.606 nan 8.290 nan 0.000 0.428 780 L N 4.956 126.136 121.223 -0.071 0.000 2.286 780 L HA 0.333 4.672 4.340 -0.002 0.000 0.203 780 L C -0.243 176.557 176.870 -0.117 0.000 1.068 780 L CA 0.424 55.212 54.840 -0.087 0.000 0.811 780 L CB 0.067 42.071 42.059 -0.091 0.000 0.989 780 L HN 0.577 nan 8.230 nan 0.000 0.467 781 L N -0.502 120.624 121.223 -0.163 0.000 2.506 781 L HA 0.455 4.794 4.340 -0.002 0.000 0.257 781 L C -1.072 175.738 176.870 -0.100 0.000 0.964 781 L CA -0.426 54.358 54.840 -0.093 0.000 0.836 781 L CB 2.194 44.158 42.059 -0.158 0.000 1.384 781 L HN -0.157 nan 8.230 nan 0.000 0.410 782 Q N 2.505 122.308 119.800 0.004 0.000 2.309 782 Q HA 0.682 5.020 4.340 -0.002 0.000 0.270 782 Q C -1.990 174.099 176.000 0.148 0.000 1.023 782 Q CA -0.305 55.520 55.803 0.038 0.000 0.758 782 Q CB 2.714 31.431 28.738 -0.035 0.000 1.247 782 Q HN 0.555 nan 8.270 nan 0.000 0.455 783 V N 4.707 124.698 119.914 0.129 0.000 2.925 783 V HA 0.466 4.585 4.120 -0.002 0.000 0.311 783 V C -0.284 175.863 176.094 0.087 0.000 1.104 783 V CA 0.090 62.417 62.300 0.046 0.000 0.954 783 V CB 1.626 33.495 31.823 0.075 0.000 1.022 783 V HN 1.170 nan 8.190 nan 0.000 0.427 784 H N 2.789 121.927 119.070 0.113 0.000 1.452 784 H HA -0.210 4.345 4.556 -0.002 0.000 0.090 784 H C 0.092 175.492 175.328 0.120 0.000 0.670 784 H CA 1.961 58.069 56.048 0.099 0.000 1.901 784 H CB -0.638 29.170 29.762 0.077 0.000 2.257 784 H HN 0.763 nan 8.280 nan 0.000 0.961 785 D N 1.650 122.219 120.400 0.282 0.000 2.891 785 D HA 0.166 4.805 4.640 -0.002 0.000 0.312 785 D C -0.445 175.989 176.300 0.223 0.000 1.354 785 D CA 0.079 54.234 54.000 0.259 0.000 0.838 785 D CB 0.533 41.493 40.800 0.267 0.000 1.117 785 D HN 0.270 nan 8.370 nan 0.000 0.473 786 E N 1.043 121.355 120.200 0.187 0.000 2.238 786 E HA 0.493 4.842 4.350 -0.002 0.000 0.267 786 E C -1.178 175.478 176.600 0.092 0.000 0.887 786 E CA -0.620 55.864 56.400 0.140 0.000 0.769 786 E CB 2.171 31.999 29.700 0.214 0.000 1.187 786 E HN 0.052 nan 8.360 nan 0.000 0.416 787 L N 3.635 124.878 121.223 0.033 0.000 2.365 787 L HA 0.486 4.825 4.340 -0.002 0.000 0.273 787 L C -0.985 175.878 176.870 -0.012 0.000 1.000 787 L CA -1.059 53.778 54.840 -0.005 0.000 0.819 787 L CB 2.053 44.090 42.059 -0.038 0.000 1.284 787 L HN 0.367 nan 8.230 nan 0.000 0.418 788 V N 5.083 124.954 119.914 -0.071 0.000 2.370 788 V HA 0.440 4.559 4.120 -0.002 0.000 0.283 788 V C 0.187 176.230 176.094 -0.085 0.000 1.023 788 V CA -0.398 61.832 62.300 -0.118 0.000 0.857 788 V CB 1.571 33.189 31.823 -0.342 0.000 0.985 788 V HN 0.541 nan 8.190 nan 0.000 0.443 789 L N 3.393 124.595 121.223 -0.034 0.000 2.331 789 L HA 0.687 5.025 4.340 -0.002 0.000 0.268 789 L C 0.099 176.990 176.870 0.036 0.000 1.015 789 L CA -0.671 54.169 54.840 0.001 0.000 0.807 789 L CB 1.733 43.802 42.059 0.017 0.000 1.293 789 L HN 0.525 nan 8.230 nan 0.000 0.451 790 E N 0.954 121.211 120.200 0.095 0.000 2.235 790 E HA 0.547 4.896 4.350 -0.002 0.000 0.252 790 E C -1.393 175.419 176.600 0.353 0.000 0.886 790 E CA -0.434 56.086 56.400 0.200 0.000 0.767 790 E CB 2.060 31.843 29.700 0.137 0.000 1.205 790 E HN 0.643 nan 8.360 nan 0.000 0.421 791 A N 4.862 127.835 122.820 0.254 0.000 2.337 791 A HA 0.662 4.980 4.320 -0.002 0.000 0.329 791 A C -2.481 175.044 177.584 -0.098 0.000 1.146 791 A CA -1.694 50.398 52.037 0.091 0.000 0.800 791 A CB 0.928 19.931 19.000 0.004 0.000 1.220 791 A HN 0.335 nan 8.150 nan 0.000 0.472 792 P HA 0.023 nan 4.420 nan 0.000 0.265 792 P C 0.324 177.426 177.300 -0.331 0.000 1.193 792 P CA 0.128 62.739 63.100 -0.814 0.000 0.765 792 P CB 0.668 31.759 31.700 -1.014 0.000 0.823 793 K N 2.125 122.405 120.400 -0.200 0.000 2.207 793 K HA -0.211 4.107 4.320 -0.002 0.000 0.208 793 K C 1.652 178.197 176.600 -0.092 0.000 1.046 793 K CA 1.865 58.097 56.287 -0.092 0.000 0.929 793 K CB -0.021 32.449 32.500 -0.051 0.000 0.720 793 K HN 0.618 nan 8.250 nan 0.000 0.463 794 E N 0.216 120.340 120.200 -0.126 0.000 2.371 794 E HA -0.126 4.223 4.350 -0.002 0.000 0.194 794 E C 1.211 177.750 176.600 -0.101 0.000 1.012 794 E CA 0.742 57.080 56.400 -0.102 0.000 0.860 794 E CB 0.043 29.679 29.700 -0.108 0.000 0.811 794 E HN 0.341 nan 8.360 nan 0.000 0.502 795 R N 0.136 120.559 120.500 -0.128 0.000 2.437 795 R HA 0.367 4.706 4.340 -0.002 0.000 0.257 795 R C 1.886 178.139 176.300 -0.079 0.000 0.927 795 R CA 0.504 56.538 56.100 -0.109 0.000 1.078 795 R CB 0.412 30.625 30.300 -0.145 0.000 1.161 795 R HN 0.124 nan 8.270 nan 0.000 0.529 796 A N 2.301 125.081 122.820 -0.066 0.000 2.019 796 A HA -0.209 4.110 4.320 -0.002 0.000 0.219 796 A C 1.933 179.505 177.584 -0.020 0.000 1.164 796 A CA 1.503 53.520 52.037 -0.033 0.000 0.644 796 A CB -0.176 18.814 19.000 -0.016 0.000 0.805 796 A HN 0.490 nan 8.150 nan 0.000 0.449 797 E N -0.767 119.419 120.200 -0.023 0.000 2.318 797 E HA 0.281 4.630 4.350 -0.002 0.000 0.193 797 E C 1.785 178.374 176.600 -0.018 0.000 0.998 797 E CA 0.586 56.977 56.400 -0.015 0.000 0.859 797 E CB -0.225 29.467 29.700 -0.013 0.000 0.812 797 E HN 0.436 nan 8.360 nan 0.000 0.492 798 A N 1.474 124.278 122.820 -0.027 0.000 2.016 798 A HA 0.042 4.360 4.320 -0.002 0.000 0.217 798 A C 2.360 179.927 177.584 -0.029 0.000 1.162 798 A CA 0.553 52.573 52.037 -0.029 0.000 0.662 798 A CB -0.314 18.663 19.000 -0.037 0.000 0.812 798 A HN 0.149 nan 8.150 nan 0.000 0.450 799 V N -0.211 119.684 119.914 -0.031 0.000 2.379 799 V HA -0.161 3.958 4.120 -0.002 0.000 0.245 799 V C 2.999 179.082 176.094 -0.018 0.000 1.044 799 V CA 1.690 63.974 62.300 -0.027 0.000 1.036 799 V CB -0.987 30.821 31.823 -0.024 0.000 0.664 799 V HN 0.561 nan 8.190 nan 0.000 0.453 800 A N -0.393 122.419 122.820 -0.013 0.000 1.972 800 A HA -0.193 4.126 4.320 -0.002 0.000 0.219 800 A C 2.395 179.971 177.584 -0.013 0.000 1.169 800 A CA 1.575 53.606 52.037 -0.010 0.000 0.635 800 A CB -0.419 18.578 19.000 -0.004 0.000 0.810 800 A HN 0.467 nan 8.150 nan 0.000 0.446 801 R N -1.445 119.047 120.500 -0.013 0.000 2.100 801 R HA 0.039 4.378 4.340 -0.002 0.000 0.220 801 R C 2.107 178.400 176.300 -0.011 0.000 1.091 801 R CA 1.083 57.177 56.100 -0.011 0.000 0.986 801 R CB -0.386 29.908 30.300 -0.010 0.000 0.888 801 R HN 0.511 nan 8.270 nan 0.000 0.444 802 L N 0.691 121.905 121.223 -0.015 0.000 2.083 802 L HA -0.084 4.254 4.340 -0.002 0.000 0.209 802 L C 2.145 179.007 176.870 -0.012 0.000 1.083 802 L CA 1.947 56.779 54.840 -0.014 0.000 0.752 802 L CB -0.367 41.679 42.059 -0.021 0.000 0.899 802 L HN 0.076 nan 8.230 nan 0.000 0.433 803 A N -0.719 122.091 122.820 -0.018 0.000 1.897 803 A HA -0.145 4.174 4.320 -0.002 0.000 0.215 803 A C 2.301 179.865 177.584 -0.034 0.000 1.181 803 A CA 1.536 53.559 52.037 -0.024 0.000 0.620 803 A CB -0.422 18.561 19.000 -0.028 0.000 0.821 803 A HN 0.479 nan 8.150 nan 0.000 0.443 804 K N -0.369 120.012 120.400 -0.031 0.000 2.026 804 K HA -0.186 4.132 4.320 -0.002 0.000 0.208 804 K C 2.091 178.687 176.600 -0.007 0.000 1.048 804 K CA 1.549 57.817 56.287 -0.032 0.000 0.929 804 K CB -0.166 32.324 32.500 -0.017 0.000 0.713 804 K HN 0.672 nan 8.250 nan 0.000 0.439 805 E N 0.754 120.954 120.200 0.001 0.000 2.023 805 E HA -0.209 4.140 4.350 -0.002 0.000 0.196 805 E C 2.037 178.652 176.600 0.026 0.000 1.003 805 E CA 1.516 57.924 56.400 0.013 0.000 0.809 805 E CB 0.043 29.747 29.700 0.007 0.000 0.755 805 E HN 0.005 nan 8.360 nan 0.000 0.449 806 V N 0.884 120.811 119.914 0.023 0.000 2.252 806 V HA -0.341 3.777 4.120 -0.002 0.000 0.249 806 V C 2.471 178.607 176.094 0.069 0.000 1.056 806 V CA 2.268 64.592 62.300 0.039 0.000 1.022 806 V CB -0.423 31.417 31.823 0.027 0.000 0.641 806 V HN 0.411 nan 8.190 nan 0.000 0.445 807 M N -0.998 118.634 119.600 0.054 0.000 2.117 807 M HA -0.209 4.270 4.480 -0.002 0.000 0.262 807 M C 2.171 178.600 176.300 0.216 0.000 1.065 807 M CA 1.897 57.263 55.300 0.110 0.000 1.114 807 M CB -0.486 32.055 32.600 -0.098 0.000 1.361 807 M HN 0.390 nan 8.290 nan 0.000 0.408 808 E N -0.307 119.971 120.200 0.131 0.000 2.072 808 E HA -0.084 4.265 4.350 -0.002 0.000 0.190 808 E C 1.788 178.454 176.600 0.110 0.000 0.982 808 E CA 1.032 57.517 56.400 0.142 0.000 0.803 808 E CB -0.169 29.579 29.700 0.081 0.000 0.755 808 E HN 0.563 nan 8.360 nan 0.000 0.453 809 G N 0.758 109.608 108.800 0.084 0.000 3.314 809 G HA2 0.009 3.967 3.960 -0.002 0.000 0.238 809 G HA3 0.009 3.967 3.960 -0.002 0.000 0.238 809 G C 1.241 176.192 174.900 0.084 0.000 1.184 809 G CA -0.234 44.903 45.100 0.062 0.000 0.806 809 G HN 0.096 nan 8.290 nan 0.000 0.536 810 V N -0.461 119.534 119.914 0.134 0.000 2.358 810 V HA 0.169 4.288 4.120 -0.002 0.000 0.246 810 V C 0.438 176.679 176.094 0.245 0.000 1.047 810 V CA 1.174 63.578 62.300 0.174 0.000 1.035 810 V CB -0.184 31.757 31.823 0.197 0.000 0.658 810 V HN 0.391 nan 8.190 nan 0.000 0.452 811 Y N 1.340 121.694 120.300 0.090 0.000 2.433 811 Y HA 0.544 5.092 4.550 -0.002 0.000 0.337 811 Y C -2.497 173.407 175.900 0.007 0.000 1.026 811 Y CA -2.550 55.606 58.100 0.094 0.000 1.037 811 Y CB 2.014 40.595 38.460 0.202 0.000 1.245 811 Y HN 0.059 nan 8.280 nan 0.000 0.443 812 P HA 0.104 nan 4.420 nan 0.000 0.269 812 P C -1.131 175.945 177.300 -0.373 0.000 1.263 812 P CA 0.181 63.017 63.100 -0.439 0.000 0.813 812 P CB 0.826 32.274 31.700 -0.421 0.000 0.868 813 L N 3.250 124.344 121.223 -0.215 0.000 2.335 813 L HA 0.521 4.859 4.340 -0.002 0.000 0.268 813 L C 1.784 178.623 176.870 -0.051 0.000 1.016 813 L CA -0.526 54.144 54.840 -0.284 0.000 0.805 813 L CB 0.450 42.316 42.059 -0.322 0.000 1.311 813 L HN 0.364 nan 8.230 nan 0.000 0.456 814 A N 0.502 123.423 122.820 0.169 0.000 2.016 814 A HA 0.153 4.472 4.320 -0.002 0.000 0.217 814 A C 0.509 178.137 177.584 0.073 0.000 1.162 814 A CA 1.113 53.230 52.037 0.132 0.000 0.662 814 A CB -0.469 18.626 19.000 0.158 0.000 0.812 814 A HN 0.517 nan 8.150 nan 0.000 0.450 815 V N -2.831 117.114 119.914 0.052 0.000 2.713 815 V HA 0.569 4.688 4.120 -0.002 0.000 0.307 815 V C -2.781 173.303 176.094 -0.015 0.000 1.052 815 V CA -2.833 59.491 62.300 0.039 0.000 0.967 815 V CB 1.243 33.081 31.823 0.024 0.000 1.019 815 V HN 0.194 nan 8.190 nan 0.000 0.459 816 P HA 0.268 nan 4.420 nan 0.000 0.268 816 P C -0.630 176.647 177.300 -0.038 0.000 1.204 816 P CA -0.083 63.018 63.100 0.001 0.000 0.768 816 P CB 0.781 32.503 31.700 0.038 0.000 0.842 817 L N 2.904 124.123 121.223 -0.007 0.000 2.375 817 L HA 0.336 4.674 4.340 -0.002 0.000 0.271 817 L C 0.992 177.918 176.870 0.093 0.000 1.107 817 L CA -0.279 54.579 54.840 0.029 0.000 0.806 817 L CB 0.502 42.614 42.059 0.089 0.000 1.146 817 L HN 0.281 nan 8.230 nan 0.000 0.447 818 E N 2.643 122.917 120.200 0.123 0.000 2.224 818 E HA 0.396 4.745 4.350 -0.002 0.000 0.265 818 E C -1.073 175.601 176.600 0.124 0.000 0.878 818 E CA -0.528 55.935 56.400 0.104 0.000 0.759 818 E CB 2.776 32.523 29.700 0.078 0.000 1.164 818 E HN 0.354 nan 8.360 nan 0.000 0.414 819 V N -0.130 119.809 119.914 0.042 0.000 2.459 819 V HA 0.514 4.633 4.120 -0.002 0.000 0.295 819 V C -0.014 176.067 176.094 -0.021 0.000 1.029 819 V CA -0.819 61.448 62.300 -0.055 0.000 0.874 819 V CB 1.532 33.220 31.823 -0.225 0.000 0.985 819 V HN 0.486 nan 8.190 nan 0.000 0.438 820 E N 2.900 123.094 120.200 -0.010 0.000 2.331 820 E HA 0.584 4.933 4.350 -0.002 0.000 0.272 820 E C -0.897 175.697 176.600 -0.010 0.000 1.036 820 E CA -0.509 55.894 56.400 0.005 0.000 0.864 820 E CB 2.254 31.967 29.700 0.021 0.000 1.035 820 E HN 0.662 nan 8.360 nan 0.000 0.408 821 V N 2.019 121.933 119.914 0.001 0.000 2.531 821 V HA 0.730 4.849 4.120 -0.002 0.000 0.301 821 V C -0.470 175.635 176.094 0.018 0.000 1.034 821 V CA -0.258 62.044 62.300 0.003 0.000 0.865 821 V CB 1.665 33.484 31.823 -0.007 0.000 0.995 821 V HN 0.715 nan 8.190 nan 0.000 0.424 822 G N 5.816 114.635 108.800 0.032 0.000 2.542 822 G HA2 0.716 4.674 3.960 -0.002 0.000 0.311 822 G HA3 0.716 4.674 3.960 -0.002 0.000 0.311 822 G C -1.445 173.485 174.900 0.049 0.000 1.298 822 G CA -0.671 44.453 45.100 0.040 0.000 0.973 822 G HN 0.710 nan 8.290 nan 0.000 0.487 823 I N 1.587 122.183 120.570 0.043 0.000 2.355 823 I HA 0.653 4.822 4.170 -0.002 0.000 0.288 823 I C 0.668 176.817 176.117 0.053 0.000 0.999 823 I CA -0.123 61.204 61.300 0.046 0.000 1.163 823 I CB 1.979 39.997 38.000 0.030 0.000 1.316 823 I HN 0.643 nan 8.210 nan 0.000 0.454 824 G N 3.535 112.377 108.800 0.070 0.000 2.708 824 G HA2 0.412 4.371 3.960 -0.002 0.000 0.289 824 G HA3 0.412 4.371 3.960 -0.002 0.000 0.289 824 G C -0.172 174.775 174.900 0.078 0.000 1.416 824 G CA -0.357 44.786 45.100 0.070 0.000 0.829 824 G HN 0.556 nan 8.290 nan 0.000 0.480 825 E N -0.632 119.608 120.200 0.067 0.000 2.385 825 E HA 0.070 4.418 4.350 -0.002 0.000 0.194 825 E C -0.031 176.619 176.600 0.083 0.000 1.013 825 E CA 0.505 56.947 56.400 0.069 0.000 0.866 825 E CB 0.306 30.035 29.700 0.048 0.000 0.832 825 E HN 0.617 nan 8.360 nan 0.000 0.500 826 D N -1.747 118.713 120.400 0.100 0.000 2.547 826 D HA -0.029 4.610 4.640 -0.002 0.000 0.231 826 D C 0.088 176.531 176.300 0.239 0.000 1.099 826 D CA -0.749 53.340 54.000 0.149 0.000 0.901 826 D CB 0.587 41.442 40.800 0.090 0.000 1.478 826 D HN -0.142 nan 8.370 nan 0.000 0.471 827 W N 1.029 122.380 121.300 0.085 0.000 2.350 827 W HA -0.123 4.536 4.660 -0.002 0.000 0.289 827 W C 1.754 178.285 176.519 0.019 0.000 1.215 827 W CA 0.739 58.111 57.345 0.046 0.000 1.236 827 W CB -0.612 28.867 29.460 0.031 0.000 1.130 827 W HN 0.490 nan 8.180 nan 0.000 0.541 828 L N 0.566 121.863 121.223 0.123 0.000 2.056 828 L HA -0.145 4.194 4.340 -0.002 0.000 0.207 828 L C 2.420 179.296 176.870 0.011 0.000 1.078 828 L CA 2.519 57.349 54.840 -0.016 0.000 0.749 828 L CB -1.228 40.824 42.059 -0.012 0.000 0.901 828 L HN -0.217 nan 8.230 nan 0.000 0.433 829 S N -0.150 115.577 115.700 0.046 0.000 2.402 829 S HA -0.057 4.412 4.470 -0.002 0.000 0.229 829 S C 1.925 176.557 174.600 0.054 0.000 1.021 829 S CA 0.915 59.138 58.200 0.038 0.000 0.974 829 S CB -0.498 62.725 63.200 0.038 0.000 0.800 829 S HN 0.630 nan 8.310 nan 0.000 0.484 830 A N 1.439 124.316 122.820 0.096 0.000 2.239 830 A HA -0.010 4.309 4.320 -0.002 0.000 0.209 830 A C 1.074 178.704 177.584 0.078 0.000 1.171 830 A CA 0.306 52.404 52.037 0.103 0.000 0.768 830 A CB -0.483 18.616 19.000 0.166 0.000 0.790 830 A HN 0.482 nan 8.150 nan 0.000 0.478 831 K N 1.013 121.437 120.400 0.040 0.000 2.363 831 K HA 0.254 4.572 4.320 -0.002 0.000 0.289 831 K C -0.723 175.884 176.600 0.011 0.000 1.063 831 K CA 0.381 56.670 56.287 0.003 0.000 0.967 831 K CB 0.109 32.581 32.500 -0.046 0.000 0.987 831 K HN 0.425 nan 8.250 nan 0.000 0.473 832 E N 0.000 120.210 120.200 0.017 0.000 2.725 832 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 832 E CA 0.000 56.410 56.400 0.017 0.000 0.976 832 E CB 0.000 29.713 29.700 0.022 0.000 0.812 832 E HN 0.000 nan 8.360 nan 0.000 0.440