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 2xkk_1_C DATA FIRST_RESID 364 DATA SEQUENCE ERKKIVSGPA LPGKLADCVG QTREESELFI VEGDSAGGSA KQARDKNFQA DATA SEQUENCE IMPIRGKILN TWEVSSDEVL ASQEVHDIAI AIGVDPGSDD LSELRYGKIC DATA SEQUENCE ILADADSDGL HIATLLCALF VKHFPALVEE GHLYVAMPPL FRIDIGKDVH DATA SEQUENCE YALDDEELET ILKNVXXXKN PQITRFKGLG EMNAIQLRET TMDPNTRRLV DATA SEQUENCE QLDLDDAHLT AGLLDKLLAK KRAADRKQWL EQKGXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXATENRS DATA SEQUENCE VAEFTEQAYL NYAMYVIMDR ALPHISDGLK PVQRRIVYAM SELGLKSSGK DATA SEQUENCE PKKSARTVGD VLGKYHPHGD SACYEAMVLM AQPFSYRYPL IEGQGNWGSP DATA SEQUENCE DDPKSFAAMR XTEAKLSAYS ELLLSELGQG TSEWQDNFDG SLKEPITLPA DATA SEQUENCE RVPNILLNGT TGIAVGMATD IPPHNLREVV KGTIALIRNP QTSDEKLAEY DATA SEQUENCE IPAPDLPTKA EIITPPEELL KIQTTGRGSY RMRAVYTIEK NEIVITELPY DATA SEQUENCE QVSGSKVITQ IADQMQAKKL PLVVDVRDES DHENPTRLVI VLRSNRIDAE DATA SEQUENCE AVMSHLFATT DLESSYRVNL NMIGEDGRPQ VKSIRRILLE WIEIRKKTVT DATA SEQUENCE RRLQYHLNRI EKRLHILAGL LIAYLDIDTV IRIIREEDQP KPVLMEHFNI DATA SEQUENCE DEIQAEAILE LKLRHLAKLE EMEIRHEQDE LSAKAAIIRE QLENPESLKN DATA SEQUENCE LIISELKEDA KKFGDERRSP IVAR 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 364 E HA 0.000 nan 4.350 nan 0.000 0.291 364 E C 0.000 176.598 176.600 -0.004 0.000 1.382 364 E CA 0.000 56.397 56.400 -0.005 0.000 0.976 364 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 365 R N 1.710 122.208 120.500 -0.004 0.000 2.607 365 R HA 0.339 4.676 4.340 -0.006 0.000 0.261 365 R C 0.218 176.517 176.300 -0.002 0.000 1.051 365 R CA -0.275 55.824 56.100 -0.003 0.000 1.110 365 R CB 0.478 30.777 30.300 -0.003 0.000 1.158 365 R HN -0.072 nan 8.270 nan 0.000 0.543 366 K N 2.218 122.617 120.400 -0.002 0.000 3.006 366 K HA 0.060 4.376 4.320 -0.006 0.000 0.265 366 K C -0.636 175.964 176.600 -0.001 0.000 1.279 366 K CA 0.022 56.308 56.287 -0.001 0.000 1.229 366 K CB -0.267 32.232 32.500 -0.001 0.000 1.555 366 K HN 0.317 nan 8.250 nan 0.000 0.300 367 K N 0.574 120.973 120.400 -0.001 0.000 2.457 367 K HA -0.141 4.176 4.320 -0.006 0.000 0.269 367 K C 0.957 177.557 176.600 -0.000 0.000 0.969 367 K CA 0.060 56.346 56.287 -0.001 0.000 0.921 367 K CB 0.365 32.864 32.500 -0.001 0.000 0.940 367 K HN 0.268 nan 8.250 nan 0.000 0.517 368 I N 1.012 121.582 120.570 0.000 0.000 3.196 368 I HA 0.001 4.167 4.170 -0.006 0.000 0.248 368 I C -0.063 176.056 176.117 0.002 0.000 1.105 368 I CA 0.077 61.377 61.300 0.001 0.000 1.482 368 I CB 0.650 38.650 38.000 0.000 0.000 1.400 368 I HN 0.379 nan 8.210 nan 0.000 0.464 369 V N 3.996 123.912 119.914 0.002 0.000 2.458 369 V HA 0.382 4.499 4.120 -0.006 0.000 0.287 369 V C -0.117 175.979 176.094 0.004 0.000 1.009 369 V CA 0.529 62.831 62.300 0.004 0.000 1.091 369 V CB -0.625 31.200 31.823 0.003 0.000 0.960 369 V HN 0.568 nan 8.190 nan 0.000 0.476 370 S N 4.783 120.486 115.700 0.006 0.000 2.568 370 S HA 0.844 5.311 4.470 -0.006 0.000 0.293 370 S C 0.233 174.839 174.600 0.009 0.000 1.089 370 S CA -0.286 57.917 58.200 0.006 0.000 0.945 370 S CB 1.485 64.689 63.200 0.005 0.000 1.077 370 S HN 1.358 nan 8.310 nan 0.000 0.485 371 G N 0.847 109.651 108.800 0.007 0.000 2.684 371 G HA2 0.510 4.467 3.960 -0.006 0.000 0.255 371 G HA3 0.510 4.467 3.960 -0.006 0.000 0.255 371 G C -2.639 172.271 174.900 0.016 0.000 1.219 371 G CA -1.158 43.948 45.100 0.010 0.000 0.901 371 G HN 0.617 nan 8.290 nan 0.000 0.548 372 P HA 0.332 nan 4.420 nan 0.000 0.276 372 P C 0.681 177.991 177.300 0.018 0.000 1.230 372 P CA 0.036 63.156 63.100 0.033 0.000 0.776 372 P CB 1.343 33.070 31.700 0.045 0.000 0.888 373 A N 3.997 126.831 122.820 0.023 0.000 2.032 373 A HA -0.033 4.284 4.320 -0.006 0.000 0.221 373 A C 0.688 178.278 177.584 0.010 0.000 1.165 373 A CA 1.076 53.122 52.037 0.015 0.000 0.645 373 A CB -0.811 18.200 19.000 0.018 0.000 0.807 373 A HN 0.660 nan 8.150 nan 0.000 0.453 374 L N -4.094 117.134 121.223 0.008 0.000 0.652 374 L HA -0.104 4.232 4.340 -0.006 0.000 0.356 374 L C -2.088 174.791 176.870 0.015 0.000 1.008 374 L CA -0.203 54.640 54.840 0.006 0.000 1.221 374 L CB -0.485 41.580 42.059 0.009 0.000 0.126 374 L HN 0.189 nan 8.230 nan 0.000 0.111 375 P HA -0.007 nan 4.420 nan 0.000 0.219 375 P C 1.126 178.439 177.300 0.023 0.000 1.150 375 P CA 1.744 64.858 63.100 0.022 0.000 0.814 375 P CB 0.282 31.992 31.700 0.017 0.000 0.787 376 G N 0.732 109.545 108.800 0.022 0.000 2.550 376 G HA2 -0.405 3.552 3.960 -0.006 0.000 0.233 376 G HA3 -0.405 3.552 3.960 -0.006 0.000 0.233 376 G C 1.069 175.978 174.900 0.016 0.000 1.170 376 G CA 0.819 45.930 45.100 0.019 0.000 0.693 376 G HN 0.532 nan 8.290 nan 0.000 0.512 377 K N 0.859 121.268 120.400 0.016 0.000 2.519 377 K HA 0.355 4.672 4.320 -0.006 0.000 0.196 377 K C 1.125 177.730 176.600 0.009 0.000 1.041 377 K CA 1.040 57.334 56.287 0.011 0.000 0.954 377 K CB -0.043 32.464 32.500 0.012 0.000 0.774 377 K HN 0.688 nan 8.250 nan 0.000 0.480 378 L N 1.690 122.922 121.223 0.015 0.000 2.313 378 L HA 0.315 4.651 4.340 -0.006 0.000 0.282 378 L C -0.571 176.311 176.870 0.019 0.000 1.092 378 L CA -0.236 54.615 54.840 0.018 0.000 0.831 378 L CB 0.676 42.759 42.059 0.040 0.000 1.159 378 L HN 0.244 nan 8.230 nan 0.000 0.442 379 A N 4.506 127.331 122.820 0.008 0.000 2.391 379 A HA 0.346 4.663 4.320 -0.006 0.000 0.316 379 A C -0.353 177.241 177.584 0.016 0.000 1.381 379 A CA -0.584 51.457 52.037 0.006 0.000 0.998 379 A CB -0.250 18.745 19.000 -0.009 0.000 1.147 379 A HN 0.744 nan 8.150 nan 0.000 0.545 380 D N 1.264 121.688 120.400 0.040 0.000 2.340 380 D HA 0.464 5.101 4.640 -0.006 0.000 0.251 380 D C 0.711 177.048 176.300 0.063 0.000 1.080 380 D CA -0.430 53.618 54.000 0.079 0.000 0.971 380 D CB 1.229 42.087 40.800 0.097 0.000 1.137 380 D HN 0.682 nan 8.370 nan 0.000 0.475 381 C N 0.379 119.738 119.300 0.097 0.000 2.396 381 C HA 0.583 5.040 4.460 -0.006 0.000 0.359 381 C C 1.912 176.945 174.990 0.071 0.000 1.307 381 C CA -0.169 58.894 59.018 0.076 0.000 2.392 381 C CB -0.196 27.605 27.740 0.101 0.000 2.245 381 C HN 0.445 nan 8.230 nan 0.000 0.615 382 V N -1.319 118.634 119.914 0.066 0.000 3.085 382 V HA 0.362 4.478 4.120 -0.006 0.000 0.245 382 V C 1.194 177.320 176.094 0.055 0.000 1.114 382 V CA 1.033 63.364 62.300 0.052 0.000 1.108 382 V CB -1.521 30.327 31.823 0.042 0.000 0.798 382 V HN 1.274 nan 8.190 nan 0.000 0.471 383 G N 2.191 111.039 108.800 0.080 0.000 2.298 383 G HA2 0.284 4.241 3.960 -0.006 0.000 0.263 383 G HA3 0.284 4.241 3.960 -0.006 0.000 0.263 383 G C 0.518 175.455 174.900 0.061 0.000 1.229 383 G CA 0.184 45.330 45.100 0.077 0.000 0.976 383 G HN 0.691 nan 8.290 nan 0.000 0.459 384 Q N 1.861 121.680 119.800 0.030 0.000 2.403 384 Q HA 0.020 4.356 4.340 -0.006 0.000 0.203 384 Q C 0.775 176.777 176.000 0.003 0.000 0.932 384 Q CA 0.101 55.907 55.803 0.006 0.000 0.945 384 Q CB 0.007 28.741 28.738 -0.007 0.000 1.045 384 Q HN 0.438 nan 8.270 nan 0.000 0.511 385 T N 2.153 116.719 114.554 0.021 0.000 2.940 385 T HA 0.003 4.350 4.350 -0.006 0.000 0.309 385 T C 1.288 176.002 174.700 0.023 0.000 1.056 385 T CA -0.096 62.014 62.100 0.017 0.000 1.137 385 T CB 0.750 69.630 68.868 0.019 0.000 0.976 385 T HN 0.395 nan 8.240 nan 0.000 0.547 386 R N 2.363 122.870 120.500 0.012 0.000 2.066 386 R HA -0.024 4.312 4.340 -0.006 0.000 0.232 386 R C 2.286 178.620 176.300 0.056 0.000 1.131 386 R CA 1.471 57.580 56.100 0.015 0.000 0.955 386 R CB -0.653 29.652 30.300 0.009 0.000 0.851 386 R HN 0.665 nan 8.270 nan 0.000 0.432 387 E N 1.322 121.553 120.200 0.052 0.000 2.318 387 E HA -0.011 4.335 4.350 -0.006 0.000 0.193 387 E C 1.937 178.574 176.600 0.063 0.000 0.998 387 E CA 0.923 57.358 56.400 0.059 0.000 0.859 387 E CB -0.522 29.197 29.700 0.032 0.000 0.812 387 E HN 0.715 nan 8.360 nan 0.000 0.492 388 E N 0.199 120.433 120.200 0.057 0.000 2.478 388 E HA 0.192 4.538 4.350 -0.006 0.000 0.198 388 E C 1.407 178.151 176.600 0.239 0.000 1.046 388 E CA 0.592 57.023 56.400 0.052 0.000 0.870 388 E CB -0.263 29.436 29.700 -0.001 0.000 0.818 388 E HN 0.398 nan 8.360 nan 0.000 0.527 389 S N -0.756 115.085 115.700 0.234 0.000 2.707 389 S HA 0.601 5.068 4.470 -0.006 0.000 0.276 389 S C -0.405 174.329 174.600 0.224 0.000 1.179 389 S CA -0.485 57.893 58.200 0.297 0.000 0.992 389 S CB 0.944 64.318 63.200 0.289 0.000 1.030 389 S HN 0.527 nan 8.310 nan 0.000 0.554 390 E N 0.050 120.304 120.200 0.091 0.000 2.400 390 E HA 0.362 4.709 4.350 -0.006 0.000 0.285 390 E C -1.991 174.320 176.600 -0.483 0.000 1.005 390 E CA -0.564 55.712 56.400 -0.206 0.000 0.816 390 E CB 1.711 31.216 29.700 -0.325 0.000 1.220 390 E HN 0.295 nan 8.360 nan 0.000 0.426 391 L N 2.780 123.581 121.223 -0.702 0.000 2.349 391 L HA 0.587 4.923 4.340 -0.006 0.000 0.278 391 L C -1.837 174.646 176.870 -0.644 0.000 0.996 391 L CA -0.231 54.122 54.840 -0.811 0.000 0.825 391 L CB 0.641 42.029 42.059 -1.119 0.000 1.243 391 L HN 0.433 nan 8.230 nan 0.000 0.412 392 F N 5.806 125.591 119.950 -0.275 0.000 2.405 392 F HA 0.461 4.986 4.527 -0.004 0.000 0.355 392 F C 0.370 176.083 175.800 -0.145 0.000 1.121 392 F CA -0.246 57.646 58.000 -0.181 0.000 1.112 392 F CB 1.286 40.187 39.000 -0.165 0.000 1.126 392 F HN 0.311 nan 8.300 nan 0.000 0.481 393 I N 5.592 126.187 120.570 0.042 0.000 2.310 393 I HA 0.214 4.381 4.170 -0.006 0.000 0.287 393 I C -0.595 175.552 176.117 0.051 0.000 1.073 393 I CA -0.650 60.665 61.300 0.025 0.000 1.216 393 I CB 0.496 38.512 38.000 0.026 0.000 1.415 393 I HN 0.342 nan 8.210 nan 0.000 0.480 394 V N 4.097 124.031 119.914 0.034 0.000 2.472 394 V HA 0.424 4.540 4.120 -0.006 0.000 0.290 394 V C 0.178 176.276 176.094 0.006 0.000 1.037 394 V CA -0.671 61.641 62.300 0.020 0.000 0.908 394 V CB 1.720 33.538 31.823 -0.009 0.000 0.985 394 V HN 0.793 nan 8.190 nan 0.000 0.454 395 E N 4.396 124.599 120.200 0.005 0.000 2.161 395 E HA 0.489 4.836 4.350 -0.006 0.000 0.263 395 E C 0.356 176.953 176.600 -0.005 0.000 1.185 395 E CA 0.754 57.155 56.400 0.002 0.000 0.938 395 E CB -0.460 29.242 29.700 0.004 0.000 1.023 395 E HN 1.897 nan 8.360 nan 0.000 0.433 396 G N 4.134 112.932 108.800 -0.003 0.000 2.663 396 G HA2 -0.201 3.756 3.960 -0.006 0.000 0.686 396 G HA3 -0.201 3.756 3.960 -0.006 0.000 0.686 396 G C 0.105 175.000 174.900 -0.007 0.000 1.246 396 G CA -0.271 44.828 45.100 -0.002 0.000 0.795 396 G HN 0.612 nan 8.290 nan 0.000 0.627 397 D N 0.024 120.421 120.400 -0.003 0.000 2.183 397 D HA -0.102 4.534 4.640 -0.006 0.000 0.203 397 D C 2.729 179.020 176.300 -0.014 0.000 0.969 397 D CA 1.873 55.868 54.000 -0.007 0.000 0.842 397 D CB -0.031 40.769 40.800 -0.001 0.000 0.957 397 D HN 0.615 nan 8.370 nan 0.000 0.484 398 S N 1.470 117.161 115.700 -0.015 0.000 2.335 398 S HA -0.124 4.342 4.470 -0.006 0.000 0.216 398 S C 2.346 176.923 174.600 -0.038 0.000 1.032 398 S CA 1.307 59.493 58.200 -0.023 0.000 1.000 398 S CB -0.626 62.562 63.200 -0.020 0.000 0.928 398 S HN 0.187 nan 8.310 nan 0.000 0.434 399 A N 2.156 124.950 122.820 -0.043 0.000 2.042 399 A HA 0.080 4.397 4.320 -0.006 0.000 0.222 399 A C 2.263 179.809 177.584 -0.063 0.000 1.167 399 A CA 1.922 53.922 52.037 -0.062 0.000 0.649 399 A CB -1.904 17.061 19.000 -0.057 0.000 0.809 399 A HN 0.729 nan 8.150 nan 0.000 0.457 400 G N -0.504 108.270 108.800 -0.043 0.000 2.604 400 G HA2 0.008 3.964 3.960 -0.006 0.000 0.216 400 G HA3 0.008 3.964 3.960 -0.006 0.000 0.216 400 G C 1.656 176.527 174.900 -0.049 0.000 1.265 400 G CA 1.266 46.342 45.100 -0.040 0.000 0.804 400 G HN 0.791 nan 8.290 nan 0.000 0.579 401 G N 0.392 109.168 108.800 -0.040 0.000 2.547 401 G HA2 -0.244 3.713 3.960 -0.006 0.000 0.221 401 G HA3 -0.244 3.713 3.960 -0.006 0.000 0.221 401 G C 2.182 177.048 174.900 -0.056 0.000 1.140 401 G CA 1.781 46.856 45.100 -0.041 0.000 0.760 401 G HN 0.457 nan 8.290 nan 0.000 0.583 402 S N 0.879 116.538 115.700 -0.068 0.000 2.355 402 S HA 0.064 4.531 4.470 -0.006 0.000 0.222 402 S C 2.821 177.352 174.600 -0.115 0.000 1.031 402 S CA 1.192 59.340 58.200 -0.087 0.000 0.993 402 S CB -0.430 62.712 63.200 -0.097 0.000 0.859 402 S HN 0.634 nan 8.310 nan 0.000 0.453 403 A N 1.746 124.489 122.820 -0.129 0.000 1.877 403 A HA -0.138 4.179 4.320 -0.006 0.000 0.216 403 A C 1.989 179.485 177.584 -0.147 0.000 1.186 403 A CA 1.827 53.760 52.037 -0.174 0.000 0.620 403 A CB -0.580 18.312 19.000 -0.180 0.000 0.822 403 A HN 0.457 nan 8.150 nan 0.000 0.443 404 K N -0.871 119.469 120.400 -0.100 0.000 2.218 404 K HA -0.254 4.063 4.320 -0.006 0.000 0.205 404 K C 2.171 178.726 176.600 -0.075 0.000 1.046 404 K CA 1.826 58.068 56.287 -0.076 0.000 0.933 404 K CB -0.079 32.391 32.500 -0.051 0.000 0.728 404 K HN 0.615 nan 8.250 nan 0.000 0.454 405 Q N -0.580 119.171 119.800 -0.081 0.000 2.134 405 Q HA 0.053 4.390 4.340 -0.006 0.000 0.195 405 Q C 1.782 177.731 176.000 -0.085 0.000 0.958 405 Q CA 1.227 56.987 55.803 -0.070 0.000 0.840 405 Q CB -0.047 28.652 28.738 -0.065 0.000 0.918 405 Q HN 0.331 nan 8.270 nan 0.000 0.467 406 A N 1.333 124.082 122.820 -0.118 0.000 1.898 406 A HA -0.097 4.220 4.320 -0.006 0.000 0.216 406 A C 0.992 178.486 177.584 -0.149 0.000 1.181 406 A CA 0.895 52.850 52.037 -0.137 0.000 0.620 406 A CB -0.803 18.088 19.000 -0.182 0.000 0.819 406 A HN 0.526 nan 8.150 nan 0.000 0.442 407 R N 0.256 120.647 120.500 -0.181 0.000 2.919 407 R HA 0.089 4.425 4.340 -0.006 0.000 0.271 407 R C -0.731 175.492 176.300 -0.129 0.000 0.995 407 R CA 0.420 56.403 56.100 -0.195 0.000 1.158 407 R CB 0.033 30.225 30.300 -0.180 0.000 1.071 407 R HN 0.165 nan 8.270 nan 0.000 0.476 408 D N 0.218 120.528 120.400 -0.150 0.000 2.443 408 D HA 0.116 4.752 4.640 -0.006 0.000 0.221 408 D C 0.369 176.632 176.300 -0.062 0.000 1.097 408 D CA -0.351 53.615 54.000 -0.057 0.000 0.865 408 D CB 1.113 41.954 40.800 0.068 0.000 1.034 408 D HN 0.609 nan 8.370 nan 0.000 0.511 409 K N 3.020 123.410 120.400 -0.017 0.000 2.032 409 K HA -0.276 4.040 4.320 -0.006 0.000 0.218 409 K C 1.395 178.014 176.600 0.031 0.000 1.054 409 K CA 1.340 57.624 56.287 -0.005 0.000 0.941 409 K CB 0.058 32.564 32.500 0.011 0.000 0.720 409 K HN 0.445 nan 8.250 nan 0.000 0.449 410 N N 0.325 119.080 118.700 0.092 0.000 2.116 410 N HA -0.256 4.480 4.740 -0.006 0.000 0.178 410 N C 1.596 177.234 175.510 0.213 0.000 0.884 410 N CA 2.449 55.596 53.050 0.161 0.000 0.882 410 N CB -0.762 37.864 38.487 0.232 0.000 1.026 410 N HN 0.413 nan 8.380 nan 0.000 0.875 411 F N -0.159 119.817 119.950 0.043 0.000 2.661 411 F HA 0.465 4.987 4.527 -0.008 0.000 0.306 411 F C -0.319 175.524 175.800 0.073 0.000 1.094 411 F CA -0.572 57.462 58.000 0.055 0.000 1.254 411 F CB -0.211 38.811 39.000 0.038 0.000 1.040 411 F HN -0.109 nan 8.300 nan 0.000 0.562 412 Q N 1.992 121.523 119.800 -0.448 0.000 2.320 412 Q HA 0.726 5.062 4.340 -0.006 0.000 0.268 412 Q C -0.745 175.174 176.000 -0.136 0.000 1.023 412 Q CA -0.785 54.802 55.803 -0.361 0.000 0.744 412 Q CB 2.254 30.723 28.738 -0.448 0.000 1.246 412 Q HN 0.357 nan 8.270 nan 0.000 0.462 413 A N 2.890 125.639 122.820 -0.119 0.000 2.282 413 A HA 0.787 5.103 4.320 -0.006 0.000 0.319 413 A C -0.744 176.778 177.584 -0.103 0.000 1.121 413 A CA -0.394 51.589 52.037 -0.090 0.000 0.836 413 A CB 0.766 19.741 19.000 -0.041 0.000 1.146 413 A HN 0.580 nan 8.150 nan 0.000 0.494 414 I N 0.724 121.258 120.570 -0.060 0.000 2.582 414 I HA 0.544 4.710 4.170 -0.006 0.000 0.292 414 I C -0.395 175.701 176.117 -0.036 0.000 1.066 414 I CA -0.573 60.709 61.300 -0.030 0.000 1.053 414 I CB 1.616 39.598 38.000 -0.030 0.000 1.241 414 I HN 0.804 nan 8.210 nan 0.000 0.421 415 M N 7.650 127.233 119.600 -0.028 0.000 2.206 415 M HA 0.458 4.934 4.480 -0.006 0.000 0.272 415 M C -2.821 173.474 176.300 -0.009 0.000 1.012 415 M CA -1.312 53.976 55.300 -0.020 0.000 0.986 415 M CB 2.640 35.225 32.600 -0.025 0.000 1.740 415 M HN 0.133 nan 8.290 nan 0.000 0.472 416 P HA 0.180 nan 4.420 nan 0.000 0.267 416 P C -1.064 176.235 177.300 -0.000 0.000 1.205 416 P CA 0.325 63.423 63.100 -0.004 0.000 0.765 416 P CB 0.330 32.028 31.700 -0.004 0.000 0.828 417 I N 4.828 125.399 120.570 0.000 0.000 2.359 417 I HA 0.291 4.458 4.170 -0.006 0.000 0.294 417 I C 0.784 176.901 176.117 -0.000 0.000 0.987 417 I CA -0.618 60.682 61.300 -0.001 0.000 1.225 417 I CB 0.973 38.971 38.000 -0.003 0.000 1.366 417 I HN 0.142 nan 8.210 nan 0.000 0.466 418 R N 5.523 126.025 120.500 0.002 0.000 2.337 418 R HA 0.680 5.017 4.340 -0.006 0.000 0.319 418 R C -0.051 176.254 176.300 0.007 0.000 0.954 418 R CA -0.605 55.499 56.100 0.006 0.000 0.840 418 R CB 1.514 31.819 30.300 0.009 0.000 1.164 418 R HN 0.901 nan 8.270 nan 0.000 0.472 419 G N 2.606 111.411 108.800 0.010 0.000 2.566 419 G HA2 -0.202 3.754 3.960 -0.006 0.000 0.599 419 G HA3 -0.202 3.754 3.960 -0.006 0.000 0.599 419 G C -1.210 173.690 174.900 -0.001 0.000 1.292 419 G CA -1.098 44.011 45.100 0.014 0.000 0.922 419 G HN 0.482 nan 8.290 nan 0.000 0.514 420 K N 0.482 120.882 120.400 0.001 0.000 2.258 420 K HA 0.519 4.836 4.320 -0.006 0.000 0.284 420 K C 1.004 177.580 176.600 -0.039 0.000 1.051 420 K CA -0.345 55.920 56.287 -0.037 0.000 0.923 420 K CB 1.238 33.724 32.500 -0.023 0.000 1.046 420 K HN 0.674 nan 8.250 nan 0.000 0.474 421 I N 0.687 121.219 120.570 -0.063 0.000 3.004 421 I HA 0.114 4.281 4.170 -0.006 0.000 0.287 421 I C 0.568 176.657 176.117 -0.048 0.000 1.144 421 I CA -1.045 60.224 61.300 -0.051 0.000 1.353 421 I CB 0.100 38.060 38.000 -0.067 0.000 1.417 421 I HN 0.536 nan 8.210 nan 0.000 0.602 422 L N 1.627 122.830 121.223 -0.033 0.000 2.483 422 L HA 0.256 4.593 4.340 -0.006 0.000 0.275 422 L C 0.301 177.163 176.870 -0.014 0.000 1.220 422 L CA -0.153 54.678 54.840 -0.015 0.000 0.833 422 L CB 0.138 42.190 42.059 -0.012 0.000 1.102 422 L HN 0.717 nan 8.230 nan 0.000 0.490 423 N N 1.414 120.126 118.700 0.020 0.000 2.399 423 N HA 0.050 4.787 4.740 -0.006 0.000 0.259 423 N C 0.455 176.008 175.510 0.072 0.000 1.160 423 N CA 0.349 53.428 53.050 0.050 0.000 0.946 423 N CB 0.634 39.169 38.487 0.081 0.000 1.156 423 N HN 0.835 nan 8.380 nan 0.000 0.489 424 T N 0.371 114.972 114.554 0.078 0.000 3.244 424 T HA 0.036 4.383 4.350 -0.006 0.000 0.254 424 T C 1.083 175.912 174.700 0.215 0.000 1.024 424 T CA -0.506 61.633 62.100 0.065 0.000 0.920 424 T CB -0.580 68.207 68.868 -0.135 0.000 1.042 424 T HN 0.591 nan 8.240 nan 0.000 0.572 425 W N 1.650 122.972 121.300 0.037 0.000 3.180 425 W HA 0.259 4.915 4.660 -0.006 0.000 0.254 425 W C 0.303 176.839 176.519 0.028 0.000 1.318 425 W CA 0.031 57.398 57.345 0.037 0.000 1.608 425 W CB 0.224 29.675 29.460 -0.015 0.000 1.124 425 W HN 0.504 nan 8.180 nan 0.000 0.694 426 E N -0.775 119.461 120.200 0.061 0.000 2.712 426 E HA 0.024 4.371 4.350 -0.006 0.000 0.221 426 E C 0.063 176.662 176.600 -0.002 0.000 0.943 426 E CA -0.059 56.331 56.400 -0.017 0.000 1.259 426 E CB 1.018 30.746 29.700 0.046 0.000 1.167 426 E HN -0.224 nan 8.360 nan 0.000 0.569 427 V N 2.532 122.474 119.914 0.045 0.000 2.686 427 V HA 0.088 4.204 4.120 -0.006 0.000 0.295 427 V C 0.560 176.707 176.094 0.088 0.000 1.055 427 V CA -0.304 62.021 62.300 0.042 0.000 1.050 427 V CB 1.355 33.186 31.823 0.013 0.000 0.984 427 V HN 0.231 nan 8.190 nan 0.000 0.482 428 S N 2.899 118.625 115.700 0.045 0.000 2.565 428 S HA 0.179 4.645 4.470 -0.006 0.000 0.274 428 S C 1.194 175.858 174.600 0.106 0.000 1.309 428 S CA -0.092 58.127 58.200 0.032 0.000 1.043 428 S CB 1.359 64.548 63.200 -0.018 0.000 0.939 428 S HN 0.677 nan 8.310 nan 0.000 0.504 429 S N 2.229 117.982 115.700 0.087 0.000 2.392 429 S HA -0.171 4.296 4.470 -0.006 0.000 0.232 429 S C 1.223 175.842 174.600 0.032 0.000 1.041 429 S CA 1.881 60.150 58.200 0.116 0.000 1.026 429 S CB -0.652 62.532 63.200 -0.026 0.000 0.845 429 S HN 0.858 nan 8.310 nan 0.000 0.465 430 D N 1.285 121.686 120.400 0.001 0.000 2.144 430 D HA -0.026 4.611 4.640 -0.006 0.000 0.199 430 D C 2.302 178.598 176.300 -0.007 0.000 0.984 430 D CA 1.597 55.592 54.000 -0.007 0.000 0.834 430 D CB -0.513 40.278 40.800 -0.016 0.000 0.955 430 D HN 0.686 nan 8.370 nan 0.000 0.465 431 E N 0.676 120.873 120.200 -0.006 0.000 2.170 431 E HA 0.022 4.368 4.350 -0.006 0.000 0.191 431 E C 2.234 178.817 176.600 -0.029 0.000 0.981 431 E CA 0.384 56.775 56.400 -0.016 0.000 0.830 431 E CB -0.936 28.756 29.700 -0.013 0.000 0.775 431 E HN 0.091 nan 8.360 nan 0.000 0.470 432 V N 0.812 120.699 119.914 -0.044 0.000 2.313 432 V HA -0.298 3.819 4.120 -0.006 0.000 0.253 432 V C 2.522 178.587 176.094 -0.048 0.000 1.070 432 V CA 2.150 64.381 62.300 -0.115 0.000 1.057 432 V CB -0.400 31.251 31.823 -0.287 0.000 0.653 432 V HN 0.639 nan 8.190 nan 0.000 0.450 433 L N -0.041 121.186 121.223 0.007 0.000 2.610 433 L HA 0.101 4.438 4.340 -0.006 0.000 0.232 433 L C 2.333 179.184 176.870 -0.032 0.000 1.149 433 L CA 0.861 55.752 54.840 0.085 0.000 0.872 433 L CB -0.982 41.192 42.059 0.191 0.000 0.992 433 L HN 0.250 nan 8.230 nan 0.000 0.447 434 A N -0.694 122.100 122.820 -0.044 0.000 1.865 434 A HA -0.168 4.148 4.320 -0.006 0.000 0.217 434 A C 1.736 179.282 177.584 -0.063 0.000 1.191 434 A CA 1.434 53.432 52.037 -0.064 0.000 0.623 434 A CB -0.500 18.474 19.000 -0.043 0.000 0.826 434 A HN 0.331 nan 8.150 nan 0.000 0.444 435 S N -0.587 115.093 115.700 -0.034 0.000 2.430 435 S HA 0.243 4.709 4.470 -0.006 0.000 0.282 435 S C 0.953 175.561 174.600 0.013 0.000 1.186 435 S CA -0.012 58.178 58.200 -0.017 0.000 1.060 435 S CB 0.854 64.043 63.200 -0.019 0.000 0.966 435 S HN 0.470 nan 8.310 nan 0.000 0.501 436 Q N 3.812 123.618 119.800 0.009 0.000 2.045 436 Q HA -0.157 4.180 4.340 -0.006 0.000 0.206 436 Q C 1.672 177.724 176.000 0.088 0.000 0.991 436 Q CA 2.102 57.935 55.803 0.051 0.000 0.851 436 Q CB -0.169 28.583 28.738 0.024 0.000 0.911 436 Q HN 0.762 nan 8.270 nan 0.000 0.418 437 E N -0.735 119.490 120.200 0.041 0.000 2.160 437 E HA -0.120 4.226 4.350 -0.006 0.000 0.195 437 E C 1.923 178.535 176.600 0.020 0.000 0.991 437 E CA 1.255 57.672 56.400 0.027 0.000 0.810 437 E CB -0.037 29.666 29.700 0.006 0.000 0.742 437 E HN 0.312 nan 8.360 nan 0.000 0.466 438 V N 0.110 120.037 119.914 0.022 0.000 2.788 438 V HA -0.163 3.953 4.120 -0.006 0.000 0.251 438 V C 2.176 178.309 176.094 0.065 0.000 1.068 438 V CA 1.308 63.611 62.300 0.005 0.000 1.090 438 V CB -0.546 31.259 31.823 -0.029 0.000 0.710 438 V HN 0.231 nan 8.190 nan 0.000 0.467 439 H N 1.174 120.240 119.070 -0.007 0.000 2.353 439 H HA -0.140 4.413 4.556 -0.004 0.000 0.300 439 H C 1.993 177.336 175.328 0.025 0.000 1.090 439 H CA 1.976 58.032 56.048 0.013 0.000 1.327 439 H CB -0.067 29.698 29.762 0.005 0.000 1.383 439 H HN 0.372 nan 8.280 nan 0.000 0.508 440 D N -0.213 120.189 120.400 0.003 0.000 2.183 440 D HA -0.081 4.555 4.640 -0.006 0.000 0.203 440 D C 2.319 178.593 176.300 -0.043 0.000 0.969 440 D CA 0.895 54.867 54.000 -0.046 0.000 0.842 440 D CB -0.011 40.794 40.800 0.009 0.000 0.957 440 D HN 0.482 nan 8.370 nan 0.000 0.484 441 I N 1.138 121.691 120.570 -0.028 0.000 2.394 441 I HA -0.199 3.968 4.170 -0.006 0.000 0.251 441 I C 2.431 178.520 176.117 -0.047 0.000 1.136 441 I CA 0.760 62.041 61.300 -0.032 0.000 1.425 441 I CB -0.102 37.861 38.000 -0.063 0.000 1.079 441 I HN -0.084 nan 8.210 nan 0.000 0.425 442 A N 0.947 123.759 122.820 -0.014 0.000 1.898 442 A HA -0.036 4.281 4.320 -0.006 0.000 0.214 442 A C 2.259 179.834 177.584 -0.014 0.000 1.183 442 A CA 0.963 53.041 52.037 0.068 0.000 0.622 442 A CB -0.566 18.558 19.000 0.207 0.000 0.824 442 A HN 0.326 nan 8.150 nan 0.000 0.444 443 I N -0.270 120.223 120.570 -0.128 0.000 2.493 443 I HA -0.223 3.943 4.170 -0.006 0.000 0.254 443 I C 2.809 178.899 176.117 -0.045 0.000 1.160 443 I CA 0.884 62.106 61.300 -0.131 0.000 1.445 443 I CB -0.278 37.578 38.000 -0.241 0.000 1.086 443 I HN 0.385 nan 8.210 nan 0.000 0.433 444 A N 1.792 124.605 122.820 -0.011 0.000 1.843 444 A HA -0.105 4.212 4.320 -0.006 0.000 0.213 444 A C 2.242 179.896 177.584 0.117 0.000 1.202 444 A CA 1.195 53.274 52.037 0.070 0.000 0.607 444 A CB -0.737 18.312 19.000 0.081 0.000 0.847 444 A HN 0.506 nan 8.150 nan 0.000 0.445 445 I N -2.320 118.297 120.570 0.078 0.000 3.083 445 I HA 0.234 4.401 4.170 -0.006 0.000 0.273 445 I C 1.130 177.244 176.117 -0.004 0.000 1.297 445 I CA 0.622 61.967 61.300 0.074 0.000 1.452 445 I CB -1.090 36.891 38.000 -0.031 0.000 1.078 445 I HN 0.421 nan 8.210 nan 0.000 0.484 446 G N 1.905 110.702 108.800 -0.005 0.000 2.381 446 G HA2 -0.131 3.826 3.960 -0.006 0.000 0.281 446 G HA3 -0.131 3.826 3.960 -0.006 0.000 0.281 446 G C -0.438 174.477 174.900 0.025 0.000 0.984 446 G CA 0.300 45.393 45.100 -0.011 0.000 1.339 446 G HN 0.470 nan 8.290 nan 0.000 0.485 447 V N 1.703 121.679 119.914 0.103 0.000 3.077 447 V HA 0.429 4.545 4.120 -0.006 0.000 0.299 447 V C -1.087 175.185 176.094 0.295 0.000 1.276 447 V CA -1.227 61.193 62.300 0.201 0.000 0.993 447 V CB 2.267 34.256 31.823 0.277 0.000 1.076 447 V HN 0.450 nan 8.190 nan 0.000 0.434 448 D N 3.504 124.009 120.400 0.175 0.000 2.198 448 D HA 0.454 5.090 4.640 -0.006 0.000 0.245 448 D C -2.651 173.594 176.300 -0.092 0.000 1.079 448 D CA -1.414 52.628 54.000 0.070 0.000 0.854 448 D CB 2.062 42.874 40.800 0.021 0.000 1.148 448 D HN 0.229 nan 8.370 nan 0.000 0.456 449 P HA 0.137 nan 4.420 nan 0.000 0.268 449 P C 0.753 177.881 177.300 -0.287 0.000 1.205 449 P CA 0.024 62.824 63.100 -0.500 0.000 0.771 449 P CB 0.554 32.104 31.700 -0.250 0.000 0.858 450 G N 1.086 109.680 108.800 -0.343 0.000 2.305 450 G HA2 -0.196 3.761 3.960 -0.006 0.000 0.287 450 G HA3 -0.196 3.761 3.960 -0.006 0.000 0.287 450 G C 0.110 174.912 174.900 -0.164 0.000 1.036 450 G CA 0.523 45.473 45.100 -0.250 0.000 0.887 450 G HN 0.796 nan 8.290 nan 0.000 0.505 451 S N -1.170 114.442 115.700 -0.146 0.000 2.571 451 S HA 0.518 4.985 4.470 -0.006 0.000 0.284 451 S C 0.326 174.909 174.600 -0.027 0.000 1.128 451 S CA 0.297 58.455 58.200 -0.070 0.000 0.970 451 S CB 1.843 65.015 63.200 -0.047 0.000 1.039 451 S HN 0.386 nan 8.310 nan 0.000 0.485 452 D N 2.638 123.028 120.400 -0.016 0.000 2.328 452 D HA 0.062 4.698 4.640 -0.006 0.000 0.226 452 D C 0.047 176.353 176.300 0.011 0.000 1.066 452 D CA 0.034 54.038 54.000 0.005 0.000 0.861 452 D CB 0.074 40.873 40.800 -0.002 0.000 0.912 452 D HN 0.512 nan 8.370 nan 0.000 0.521 453 D N 0.319 120.725 120.400 0.011 0.000 2.489 453 D HA 0.025 4.661 4.640 -0.006 0.000 0.237 453 D C 0.830 177.137 176.300 0.011 0.000 1.212 453 D CA 0.078 54.083 54.000 0.008 0.000 1.058 453 D CB -0.099 40.704 40.800 0.005 0.000 1.098 453 D HN 0.277 nan 8.370 nan 0.000 0.509 454 L N 1.482 122.704 121.223 -0.003 0.000 2.599 454 L HA -0.029 4.307 4.340 -0.006 0.000 0.230 454 L C 2.256 179.104 176.870 -0.036 0.000 1.141 454 L CA 0.149 54.969 54.840 -0.033 0.000 0.877 454 L CB -0.181 41.836 42.059 -0.069 0.000 1.009 454 L HN 0.291 nan 8.230 nan 0.000 0.447 455 S N -0.345 115.344 115.700 -0.018 0.000 2.440 455 S HA -0.180 4.287 4.470 -0.006 0.000 0.238 455 S C 1.589 176.175 174.600 -0.024 0.000 1.010 455 S CA 1.347 59.538 58.200 -0.016 0.000 0.972 455 S CB -0.368 62.827 63.200 -0.009 0.000 0.774 455 S HN 0.553 nan 8.310 nan 0.000 0.501 456 E N 0.472 120.655 120.200 -0.028 0.000 2.548 456 E HA 0.530 4.876 4.350 -0.006 0.000 0.206 456 E C 0.272 176.836 176.600 -0.061 0.000 1.005 456 E CA -0.341 56.037 56.400 -0.038 0.000 0.951 456 E CB -0.483 29.200 29.700 -0.027 0.000 1.035 456 E HN 0.575 nan 8.360 nan 0.000 0.470 457 L N 1.642 122.823 121.223 -0.070 0.000 2.562 457 L HA 0.141 4.477 4.340 -0.006 0.000 0.271 457 L C 1.379 178.168 176.870 -0.134 0.000 1.167 457 L CA 0.091 54.873 54.840 -0.097 0.000 0.917 457 L CB 0.690 42.665 42.059 -0.140 0.000 1.187 457 L HN 0.128 nan 8.230 nan 0.000 0.482 458 R N 4.164 124.543 120.500 -0.200 0.000 2.235 458 R HA 0.011 4.348 4.340 -0.006 0.000 0.213 458 R C -0.598 175.291 176.300 -0.685 0.000 1.059 458 R CA 0.798 56.623 56.100 -0.458 0.000 0.997 458 R CB -0.351 29.574 30.300 -0.624 0.000 0.884 458 R HN 0.619 nan 8.270 nan 0.000 0.462 459 Y N -2.231 118.047 120.300 -0.036 0.000 2.524 459 Y HA 0.311 4.862 4.550 0.002 0.000 0.347 459 Y C 1.321 177.240 175.900 0.031 0.000 1.005 459 Y CA -0.768 57.320 58.100 -0.020 0.000 1.025 459 Y CB 1.881 40.305 38.460 -0.060 0.000 1.275 459 Y HN -0.135 nan 8.280 nan 0.000 0.460 460 G N 1.469 110.408 108.800 0.232 0.000 2.394 460 G HA2 -0.003 3.953 3.960 -0.006 0.000 0.215 460 G HA3 -0.003 3.953 3.960 -0.006 0.000 0.215 460 G C -0.043 175.004 174.900 0.245 0.000 1.165 460 G CA 0.351 45.579 45.100 0.213 0.000 0.784 460 G HN 0.402 nan 8.290 nan 0.000 0.535 461 K N 0.148 120.637 120.400 0.148 0.000 2.378 461 K HA 0.502 4.818 4.320 -0.006 0.000 0.252 461 K C -1.445 175.141 176.600 -0.023 0.000 0.931 461 K CA -0.891 55.489 56.287 0.155 0.000 0.794 461 K CB 2.742 35.227 32.500 -0.026 0.000 1.181 461 K HN -0.131 nan 8.250 nan 0.000 0.425 462 I N 2.420 122.970 120.570 -0.033 0.000 2.321 462 I HA 0.228 4.394 4.170 -0.006 0.000 0.291 462 I C -0.313 175.693 176.117 -0.186 0.000 0.998 462 I CA -0.811 60.362 61.300 -0.211 0.000 1.227 462 I CB 0.838 38.632 38.000 -0.342 0.000 1.368 462 I HN 0.632 nan 8.210 nan 0.000 0.466 463 C N 7.321 126.450 119.300 -0.286 0.000 2.322 463 C HA 0.513 4.969 4.460 -0.006 0.000 0.324 463 C C 0.584 175.549 174.990 -0.042 0.000 1.249 463 C CA -0.839 58.062 59.018 -0.196 0.000 1.453 463 C CB 0.352 27.778 27.740 -0.524 0.000 2.145 463 C HN 0.519 nan 8.230 nan 0.000 0.466 464 I N 4.350 124.929 120.570 0.014 0.000 2.363 464 I HA 0.201 4.367 4.170 -0.006 0.000 0.292 464 I C -0.164 176.013 176.117 0.100 0.000 1.075 464 I CA 0.047 61.385 61.300 0.063 0.000 1.333 464 I CB 0.479 38.514 38.000 0.059 0.000 1.415 464 I HN 0.397 nan 8.210 nan 0.000 0.502 465 L N 8.165 129.453 121.223 0.109 0.000 2.384 465 L HA 0.728 5.065 4.340 -0.006 0.000 0.261 465 L C -0.135 176.762 176.870 0.046 0.000 1.024 465 L CA -0.201 54.693 54.840 0.090 0.000 0.899 465 L CB 0.633 42.752 42.059 0.100 0.000 1.243 465 L HN 0.631 nan 8.230 nan 0.000 0.449 466 A N 2.698 125.548 122.820 0.051 0.000 2.282 466 A HA 0.732 5.048 4.320 -0.006 0.000 0.324 466 A C -0.515 177.077 177.584 0.013 0.000 1.119 466 A CA -0.733 51.324 52.037 0.033 0.000 0.880 466 A CB 0.452 19.485 19.000 0.054 0.000 1.294 466 A HN 0.619 nan 8.150 nan 0.000 0.493 467 D N 0.325 120.726 120.400 0.001 0.000 2.443 467 D HA 0.313 4.950 4.640 -0.006 0.000 0.234 467 D C 0.507 176.804 176.300 -0.004 0.000 1.172 467 D CA 1.167 55.159 54.000 -0.013 0.000 0.878 467 D CB 0.537 41.327 40.800 -0.018 0.000 1.204 467 D HN 0.598 nan 8.370 nan 0.000 0.453 468 A N 1.833 124.643 122.820 -0.017 0.000 3.202 468 A HA 0.296 4.613 4.320 -0.006 0.000 0.258 468 A C -0.249 177.310 177.584 -0.042 0.000 1.572 468 A CA -0.444 51.583 52.037 -0.015 0.000 1.241 468 A CB -0.599 18.390 19.000 -0.019 0.000 1.127 468 A HN 0.499 nan 8.150 nan 0.000 0.648 469 D N -2.027 118.347 120.400 -0.043 0.000 2.758 469 D HA 0.405 5.041 4.640 -0.006 0.000 0.279 469 D C 0.836 177.082 176.300 -0.089 0.000 1.111 469 D CA -0.046 53.905 54.000 -0.082 0.000 1.109 469 D CB 0.106 40.848 40.800 -0.096 0.000 1.428 469 D HN -0.121 nan 8.370 nan 0.000 0.586 470 S N -0.685 114.895 115.700 -0.200 0.000 2.338 470 S HA -0.117 4.349 4.470 -0.006 0.000 0.218 470 S C 1.174 175.791 174.600 0.029 0.000 1.032 470 S CA 1.191 59.297 58.200 -0.156 0.000 0.999 470 S CB -0.489 62.393 63.200 -0.531 0.000 0.905 470 S HN 0.517 nan 8.310 nan 0.000 0.439 471 D N 1.158 121.566 120.400 0.013 0.000 2.190 471 D HA -0.082 4.554 4.640 -0.006 0.000 0.200 471 D C 2.002 178.325 176.300 0.038 0.000 0.992 471 D CA 1.198 55.252 54.000 0.091 0.000 0.854 471 D CB -0.624 40.228 40.800 0.087 0.000 0.936 471 D HN 0.490 nan 8.370 nan 0.000 0.462 472 G N 0.103 108.913 108.800 0.018 0.000 2.443 472 G HA2 -0.168 3.789 3.960 -0.006 0.000 0.219 472 G HA3 -0.168 3.789 3.960 -0.006 0.000 0.219 472 G C 1.595 176.519 174.900 0.039 0.000 1.131 472 G CA 0.072 45.184 45.100 0.021 0.000 0.775 472 G HN 0.207 nan 8.290 nan 0.000 0.547 473 L N -0.518 120.729 121.223 0.039 0.000 2.418 473 L HA 0.162 4.499 4.340 -0.006 0.000 0.218 473 L C 2.245 179.150 176.870 0.059 0.000 1.125 473 L CA 0.903 55.772 54.840 0.048 0.000 0.835 473 L CB -0.275 41.793 42.059 0.016 0.000 0.953 473 L HN 0.429 nan 8.230 nan 0.000 0.454 474 H N -0.854 118.120 119.070 -0.159 0.000 2.355 474 H HA -0.001 4.552 4.556 -0.005 0.000 0.303 474 H C 2.163 177.408 175.328 -0.139 0.000 1.061 474 H CA 1.187 57.042 56.048 -0.322 0.000 1.368 474 H CB 0.347 29.533 29.762 -0.960 0.000 1.412 474 H HN 0.241 nan 8.280 nan 0.000 0.523 475 I N 1.213 121.674 120.570 -0.182 0.000 2.916 475 I HA -0.167 4.000 4.170 -0.006 0.000 0.267 475 I C 2.512 178.604 176.117 -0.042 0.000 1.263 475 I CA 0.821 62.020 61.300 -0.168 0.000 1.471 475 I CB -0.058 37.892 38.000 -0.084 0.000 1.089 475 I HN 0.314 nan 8.210 nan 0.000 0.468 476 A N -0.050 122.800 122.820 0.050 0.000 2.030 476 A HA -0.043 4.274 4.320 -0.006 0.000 0.215 476 A C 2.319 180.032 177.584 0.216 0.000 1.164 476 A CA 1.273 53.413 52.037 0.172 0.000 0.697 476 A CB -0.591 18.599 19.000 0.316 0.000 0.827 476 A HN 0.319 nan 8.150 nan 0.000 0.457 477 T N 1.016 115.664 114.554 0.156 0.000 2.668 477 T HA -0.073 4.273 4.350 -0.006 0.000 0.262 477 T C 1.857 176.587 174.700 0.050 0.000 1.045 477 T CA 1.398 63.591 62.100 0.155 0.000 1.152 477 T CB -0.511 68.484 68.868 0.211 0.000 0.864 477 T HN 0.329 nan 8.240 nan 0.000 0.419 478 L N 0.621 121.811 121.223 -0.055 0.000 2.043 478 L HA -0.131 4.205 4.340 -0.006 0.000 0.212 478 L C 2.626 179.476 176.870 -0.034 0.000 1.075 478 L CA 1.310 56.100 54.840 -0.082 0.000 0.752 478 L CB -0.852 41.096 42.059 -0.185 0.000 0.891 478 L HN 0.244 nan 8.230 nan 0.000 0.432 479 L N -1.031 120.185 121.223 -0.012 0.000 2.046 479 L HA -0.262 4.074 4.340 -0.006 0.000 0.208 479 L C 2.780 179.714 176.870 0.107 0.000 1.077 479 L CA 1.302 56.144 54.840 0.005 0.000 0.747 479 L CB -0.565 41.546 42.059 0.087 0.000 0.896 479 L HN 0.428 nan 8.230 nan 0.000 0.432 480 C N -0.504 118.910 119.300 0.189 0.000 2.425 480 C HA -0.164 4.293 4.460 -0.006 0.000 0.277 480 C C 3.085 178.217 174.990 0.236 0.000 1.280 480 C CA 0.635 59.806 59.018 0.254 0.000 1.744 480 C CB -1.045 26.820 27.740 0.208 0.000 1.989 480 C HN 0.626 nan 8.230 nan 0.000 0.491 481 A N 0.475 123.388 122.820 0.154 0.000 1.835 481 A HA -0.167 4.149 4.320 -0.006 0.000 0.215 481 A C 2.031 179.816 177.584 0.334 0.000 1.199 481 A CA 1.863 54.059 52.037 0.266 0.000 0.615 481 A CB -0.987 18.127 19.000 0.191 0.000 0.838 481 A HN 0.475 nan 8.150 nan 0.000 0.444 482 L N -1.083 120.211 121.223 0.119 0.000 2.054 482 L HA -0.263 4.074 4.340 -0.006 0.000 0.220 482 L C 2.220 179.159 176.870 0.115 0.000 1.081 482 L CA 2.423 57.254 54.840 -0.015 0.000 0.780 482 L CB -0.665 41.199 42.059 -0.325 0.000 0.893 482 L HN 0.451 nan 8.230 nan 0.000 0.438 483 F N -2.054 118.090 119.950 0.323 0.000 2.074 483 F HA -0.111 4.413 4.527 -0.005 0.000 0.290 483 F C 2.355 178.340 175.800 0.309 0.000 1.118 483 F CA 1.288 59.498 58.000 0.351 0.000 1.199 483 F CB -0.928 38.165 39.000 0.154 0.000 1.012 483 F HN -0.203 nan 8.300 nan 0.000 0.472 484 V N 0.678 120.862 119.914 0.450 0.000 2.311 484 V HA -0.402 3.715 4.120 -0.006 0.000 0.256 484 V C 2.222 178.496 176.094 0.300 0.000 1.077 484 V CA 2.541 65.060 62.300 0.365 0.000 1.067 484 V CB -0.791 31.280 31.823 0.413 0.000 0.659 484 V HN 0.271 nan 8.190 nan 0.000 0.451 485 K N -0.976 119.602 120.400 0.297 0.000 2.128 485 K HA -0.023 4.294 4.320 -0.006 0.000 0.202 485 K C 1.926 178.386 176.600 -0.234 0.000 1.050 485 K CA 1.369 57.597 56.287 -0.099 0.000 0.966 485 K CB -0.153 32.157 32.500 -0.318 0.000 0.759 485 K HN 0.628 nan 8.250 nan 0.000 0.454 486 H N -1.883 117.129 119.070 -0.098 0.000 2.652 486 H HA 0.218 4.771 4.556 -0.006 0.000 0.274 486 H C -0.312 174.641 175.328 -0.624 0.000 1.021 486 H CA 0.241 56.068 56.048 -0.368 0.000 1.187 486 H CB 0.580 30.063 29.762 -0.466 0.000 1.505 486 H HN 0.112 nan 8.280 nan 0.000 0.530 487 F N -0.757 119.303 119.950 0.183 0.000 2.697 487 F HA 0.231 4.754 4.527 -0.007 0.000 0.367 487 F C -1.986 173.895 175.800 0.135 0.000 1.300 487 F CA -1.276 56.836 58.000 0.187 0.000 1.121 487 F CB 1.037 40.258 39.000 0.368 0.000 1.188 487 F HN -0.051 nan 8.300 nan 0.000 0.511 488 P HA -0.287 nan 4.420 nan 0.000 0.216 488 P C 1.882 179.251 177.300 0.115 0.000 1.157 488 P CA 2.304 65.489 63.100 0.140 0.000 0.880 488 P CB 0.151 31.887 31.700 0.059 0.000 0.791 489 A N -0.703 122.173 122.820 0.094 0.000 1.896 489 A HA -0.271 4.045 4.320 -0.006 0.000 0.220 489 A C 2.241 179.871 177.584 0.077 0.000 1.206 489 A CA 2.278 54.357 52.037 0.071 0.000 0.647 489 A CB -1.786 17.248 19.000 0.057 0.000 0.828 489 A HN 0.208 nan 8.150 nan 0.000 0.455 490 L N -0.350 120.928 121.223 0.091 0.000 1.961 490 L HA -0.155 4.182 4.340 -0.006 0.000 0.210 490 L C 2.482 179.381 176.870 0.048 0.000 1.072 490 L CA 2.228 57.079 54.840 0.018 0.000 0.749 490 L CB -0.433 41.607 42.059 -0.033 0.000 0.889 490 L HN 0.208 nan 8.230 nan 0.000 0.432 491 V N -0.115 119.820 119.914 0.034 0.000 2.380 491 V HA -0.347 3.770 4.120 -0.006 0.000 0.251 491 V C 2.440 178.534 176.094 0.001 0.000 1.063 491 V CA 2.252 64.548 62.300 -0.008 0.000 1.055 491 V CB -0.869 30.986 31.823 0.055 0.000 0.657 491 V HN 0.536 nan 8.190 nan 0.000 0.455 492 E N -0.253 119.971 120.200 0.040 0.000 2.072 492 E HA -0.161 4.185 4.350 -0.006 0.000 0.191 492 E C 1.925 178.539 176.600 0.024 0.000 0.985 492 E CA 0.958 57.376 56.400 0.030 0.000 0.801 492 E CB -0.121 29.603 29.700 0.040 0.000 0.750 492 E HN 0.560 nan 8.360 nan 0.000 0.452 493 E N 0.090 120.335 120.200 0.074 0.000 2.512 493 E HA 0.024 4.370 4.350 -0.006 0.000 0.195 493 E C 0.561 177.146 176.600 -0.025 0.000 1.083 493 E CA 0.427 56.884 56.400 0.094 0.000 0.873 493 E CB 0.142 30.000 29.700 0.262 0.000 0.897 493 E HN 0.337 nan 8.360 nan 0.000 0.514 494 G N 2.071 110.824 108.800 -0.078 0.000 2.359 494 G HA2 -0.289 3.668 3.960 -0.006 0.000 0.298 494 G HA3 -0.289 3.668 3.960 -0.006 0.000 0.298 494 G C 0.388 175.041 174.900 -0.412 0.000 1.030 494 G CA 0.371 45.324 45.100 -0.246 0.000 1.149 494 G HN 0.469 nan 8.290 nan 0.000 0.512 495 H N -1.498 117.390 119.070 -0.304 0.000 2.705 495 H HA 0.197 4.748 4.556 -0.008 0.000 0.269 495 H C 1.120 176.202 175.328 -0.410 0.000 0.998 495 H CA -0.080 55.809 56.048 -0.266 0.000 1.193 495 H CB 0.795 30.460 29.762 -0.161 0.000 1.485 495 H HN 0.395 nan 8.280 nan 0.000 0.521 496 L N 1.263 122.229 121.223 -0.429 0.000 2.326 496 L HA 0.239 4.575 4.340 -0.006 0.000 0.278 496 L C -1.180 175.324 176.870 -0.611 0.000 1.092 496 L CA -0.230 54.333 54.840 -0.462 0.000 0.810 496 L CB 0.285 42.100 42.059 -0.407 0.000 1.153 496 L HN -0.070 nan 8.230 nan 0.000 0.439 497 Y N 2.669 122.834 120.300 -0.224 0.000 2.553 497 Y HA 0.622 5.168 4.550 -0.008 0.000 0.347 497 Y C -0.658 175.131 175.900 -0.185 0.000 1.019 497 Y CA -1.000 56.987 58.100 -0.187 0.000 1.032 497 Y CB 2.241 40.605 38.460 -0.160 0.000 1.284 497 Y HN 0.185 nan 8.280 nan 0.000 0.466 498 V N 2.535 122.449 119.914 0.000 0.000 2.350 498 V HA 0.652 4.768 4.120 -0.006 0.000 0.285 498 V C -0.093 176.033 176.094 0.054 0.000 1.014 498 V CA -0.979 61.292 62.300 -0.049 0.000 0.831 498 V CB 0.966 32.632 31.823 -0.262 0.000 1.000 498 V HN 0.869 nan 8.190 nan 0.000 0.433 499 A N 7.002 129.880 122.820 0.097 0.000 2.425 499 A HA 0.724 5.040 4.320 -0.006 0.000 0.249 499 A C 0.021 177.655 177.584 0.083 0.000 1.084 499 A CA -0.212 51.888 52.037 0.105 0.000 0.781 499 A CB 0.231 19.322 19.000 0.152 0.000 1.019 499 A HN 0.681 nan 8.150 nan 0.000 0.490 500 M N 4.252 123.891 119.600 0.066 0.000 2.060 500 M HA 0.306 4.782 4.480 -0.006 0.000 0.342 500 M C -2.606 173.711 176.300 0.028 0.000 1.031 500 M CA -2.907 52.436 55.300 0.071 0.000 0.981 500 M CB 0.385 33.038 32.600 0.090 0.000 1.376 500 M HN 0.321 nan 8.290 nan 0.000 0.397 501 P HA 0.467 nan 4.420 nan 0.000 0.277 501 P C -2.698 174.611 177.300 0.015 0.000 1.240 501 P CA -1.341 61.736 63.100 -0.038 0.000 0.798 501 P CB -0.237 31.420 31.700 -0.071 0.000 0.979 502 P HA 0.151 nan 4.420 nan 0.000 0.278 502 P C 0.257 177.675 177.300 0.198 0.000 1.238 502 P CA -0.414 62.782 63.100 0.159 0.000 0.794 502 P CB 0.590 32.442 31.700 0.253 0.000 0.955 503 L N 1.633 122.893 121.223 0.061 0.000 2.307 503 L HA 0.359 4.695 4.340 -0.006 0.000 0.211 503 L C -0.158 176.373 176.870 -0.565 0.000 1.099 503 L CA 1.237 55.920 54.840 -0.261 0.000 0.816 503 L CB -0.593 41.179 42.059 -0.478 0.000 0.952 503 L HN 0.187 nan 8.230 nan 0.000 0.455 504 F N -0.540 119.477 119.950 0.111 0.000 2.588 504 F HA 0.539 5.062 4.527 -0.005 0.000 0.314 504 F C 0.224 175.994 175.800 -0.051 0.000 1.069 504 F CA -0.887 57.067 58.000 -0.078 0.000 0.931 504 F CB 1.189 40.166 39.000 -0.039 0.000 1.260 504 F HN -0.320 nan 8.300 nan 0.000 0.465 505 R N 2.720 123.155 120.500 -0.108 0.000 2.371 505 R HA 0.620 4.956 4.340 -0.006 0.000 0.312 505 R C -1.761 174.457 176.300 -0.137 0.000 0.980 505 R CA -0.617 55.382 56.100 -0.169 0.000 0.867 505 R CB 0.649 30.820 30.300 -0.214 0.000 1.163 505 R HN 0.643 nan 8.270 nan 0.000 0.492 506 I N 3.789 124.304 120.570 -0.092 0.000 2.416 506 I HA 0.107 4.273 4.170 -0.006 0.000 0.288 506 I C -0.067 176.020 176.117 -0.051 0.000 1.051 506 I CA 0.153 61.416 61.300 -0.061 0.000 1.375 506 I CB 1.215 39.194 38.000 -0.035 0.000 1.407 506 I HN 0.415 nan 8.210 nan 0.000 0.516 507 D N 7.415 127.788 120.400 -0.045 0.000 2.622 507 D HA 0.310 4.946 4.640 -0.006 0.000 0.262 507 D C 1.369 177.669 176.300 0.000 0.000 1.189 507 D CA -0.067 53.917 54.000 -0.027 0.000 0.985 507 D CB 0.572 41.351 40.800 -0.035 0.000 0.994 507 D HN 0.363 nan 8.370 nan 0.000 0.513 508 I N 0.058 120.653 120.570 0.041 0.000 2.032 508 I HA -0.211 3.956 4.170 -0.006 0.000 0.228 508 I C 2.000 178.126 176.117 0.016 0.000 1.030 508 I CA 1.526 62.842 61.300 0.027 0.000 1.318 508 I CB -0.367 37.663 38.000 0.051 0.000 1.049 508 I HN 0.268 nan 8.210 nan 0.000 0.387 509 G N -0.054 108.762 108.800 0.026 0.000 2.756 509 G HA2 0.054 4.010 3.960 -0.006 0.000 0.203 509 G HA3 0.054 4.010 3.960 -0.006 0.000 0.203 509 G C 0.987 175.889 174.900 0.003 0.000 2.015 509 G CA 0.024 45.131 45.100 0.012 0.000 0.835 509 G HN 0.107 nan 8.290 nan 0.000 0.648 510 K N 1.450 121.851 120.400 0.001 0.000 2.358 510 K HA 0.179 4.496 4.320 -0.006 0.000 0.200 510 K C -0.548 176.040 176.600 -0.020 0.000 1.030 510 K CA -0.007 56.276 56.287 -0.007 0.000 1.097 510 K CB 0.719 33.217 32.500 -0.004 0.000 0.862 510 K HN 0.560 nan 8.250 nan 0.000 0.534 511 D N 0.453 120.838 120.400 -0.026 0.000 2.344 511 D HA 0.176 4.812 4.640 -0.006 0.000 0.239 511 D C 0.171 176.389 176.300 -0.137 0.000 1.064 511 D CA -0.729 53.225 54.000 -0.077 0.000 0.829 511 D CB 1.569 42.327 40.800 -0.070 0.000 1.129 511 D HN -0.343 nan 8.370 nan 0.000 0.506 512 V N 2.730 122.525 119.914 -0.198 0.000 2.732 512 V HA 0.250 4.366 4.120 -0.006 0.000 0.297 512 V C 0.300 176.126 176.094 -0.446 0.000 1.060 512 V CA -0.240 61.903 62.300 -0.261 0.000 1.038 512 V CB 0.853 32.524 31.823 -0.255 0.000 1.003 512 V HN 0.596 nan 8.190 nan 0.000 0.481 513 H N 2.299 121.210 119.070 -0.264 0.000 2.717 513 H HA 0.492 5.045 4.556 -0.006 0.000 0.366 513 H C -1.623 173.544 175.328 -0.269 0.000 1.132 513 H CA -0.360 55.588 56.048 -0.168 0.000 1.180 513 H CB 2.016 31.735 29.762 -0.072 0.000 1.678 513 H HN 0.575 nan 8.280 nan 0.000 0.537 514 Y N 0.271 120.691 120.300 0.200 0.000 2.409 514 Y HA 0.538 5.085 4.550 -0.005 0.000 0.343 514 Y C -0.064 175.948 175.900 0.186 0.000 0.973 514 Y CA -0.770 57.444 58.100 0.189 0.000 1.064 514 Y CB 2.132 40.694 38.460 0.170 0.000 1.207 514 Y HN 0.677 nan 8.280 nan 0.000 0.452 515 A N 2.855 125.902 122.820 0.378 0.000 2.356 515 A HA 0.511 4.828 4.320 -0.006 0.000 0.310 515 A C 0.004 177.763 177.584 0.292 0.000 1.075 515 A CA -0.476 51.742 52.037 0.303 0.000 0.746 515 A CB 1.095 20.273 19.000 0.298 0.000 1.221 515 A HN 0.785 nan 8.150 nan 0.000 0.443 516 L N 1.265 122.617 121.223 0.214 0.000 2.056 516 L HA 0.080 4.417 4.340 -0.006 0.000 0.207 516 L C 0.743 177.705 176.870 0.154 0.000 1.078 516 L CA 2.835 57.772 54.840 0.161 0.000 0.749 516 L CB -0.813 41.325 42.059 0.132 0.000 0.901 516 L HN 0.950 nan 8.230 nan 0.000 0.433 517 D N -4.548 115.974 120.400 0.204 0.000 3.076 517 D HA 0.137 4.773 4.640 -0.006 0.000 0.301 517 D C 0.609 177.109 176.300 0.333 0.000 1.260 517 D CA -0.375 53.755 54.000 0.216 0.000 1.027 517 D CB -0.268 40.618 40.800 0.143 0.000 1.370 517 D HN -0.244 nan 8.370 nan 0.000 0.602 518 D N -0.612 119.943 120.400 0.258 0.000 2.162 518 D HA -0.109 4.528 4.640 -0.006 0.000 0.205 518 D C 1.515 177.874 176.300 0.097 0.000 0.964 518 D CA 0.737 54.856 54.000 0.198 0.000 0.847 518 D CB 0.094 40.991 40.800 0.161 0.000 0.988 518 D HN 0.574 nan 8.370 nan 0.000 0.480 519 E N 1.171 121.425 120.200 0.090 0.000 2.097 519 E HA -0.218 4.129 4.350 -0.006 0.000 0.196 519 E C 1.353 177.985 176.600 0.052 0.000 1.000 519 E CA 1.085 57.521 56.400 0.059 0.000 0.804 519 E CB 0.114 29.850 29.700 0.060 0.000 0.740 519 E HN 0.384 nan 8.360 nan 0.000 0.454 520 E N 0.218 120.466 120.200 0.081 0.000 2.358 520 E HA -0.062 4.285 4.350 -0.006 0.000 0.195 520 E C 2.199 178.829 176.600 0.050 0.000 1.010 520 E CA 0.063 56.509 56.400 0.077 0.000 0.856 520 E CB 0.093 29.863 29.700 0.116 0.000 0.795 520 E HN 0.330 nan 8.360 nan 0.000 0.504 521 L N 1.099 122.341 121.223 0.032 0.000 2.131 521 L HA -0.140 4.197 4.340 -0.006 0.000 0.206 521 L C 2.732 179.550 176.870 -0.088 0.000 1.087 521 L CA 1.430 56.226 54.840 -0.074 0.000 0.767 521 L CB -0.280 41.635 42.059 -0.241 0.000 0.917 521 L HN 0.154 nan 8.230 nan 0.000 0.441 522 E N -0.429 119.740 120.200 -0.051 0.000 2.077 522 E HA -0.242 4.105 4.350 -0.006 0.000 0.193 522 E C 1.914 178.489 176.600 -0.042 0.000 0.989 522 E CA 2.054 58.426 56.400 -0.047 0.000 0.800 522 E CB -1.444 28.243 29.700 -0.021 0.000 0.746 522 E HN 0.557 nan 8.360 nan 0.000 0.452 523 T N 0.272 114.811 114.554 -0.025 0.000 2.867 523 T HA 0.024 4.371 4.350 -0.006 0.000 0.268 523 T C 2.086 176.756 174.700 -0.049 0.000 1.057 523 T CA 1.233 63.319 62.100 -0.023 0.000 1.136 523 T CB -0.188 68.680 68.868 0.000 0.000 0.874 523 T HN 0.436 nan 8.240 nan 0.000 0.466 524 I N -0.105 120.422 120.570 -0.071 0.000 2.480 524 I HA 0.047 4.213 4.170 -0.006 0.000 0.251 524 I C 2.168 178.192 176.117 -0.155 0.000 1.124 524 I CA 0.793 62.014 61.300 -0.131 0.000 1.444 524 I CB -0.091 37.821 38.000 -0.147 0.000 1.098 524 I HN 0.145 nan 8.210 nan 0.000 0.428 525 L N 1.112 122.260 121.223 -0.126 0.000 2.209 525 L HA -0.126 4.211 4.340 -0.006 0.000 0.207 525 L C 2.570 179.387 176.870 -0.088 0.000 1.094 525 L CA 1.028 55.798 54.840 -0.116 0.000 0.790 525 L CB -0.214 41.775 42.059 -0.117 0.000 0.932 525 L HN 0.181 nan 8.230 nan 0.000 0.447 526 K N -0.370 119.987 120.400 -0.072 0.000 2.365 526 K HA -0.095 4.222 4.320 -0.006 0.000 0.199 526 K C 1.466 178.037 176.600 -0.049 0.000 1.045 526 K CA 1.364 57.619 56.287 -0.053 0.000 0.962 526 K CB -0.527 31.949 32.500 -0.041 0.000 0.759 526 K HN 0.350 nan 8.250 nan 0.000 0.469 527 N N 1.589 120.252 118.700 -0.061 0.000 2.395 527 N HA 0.137 4.873 4.740 -0.006 0.000 0.175 527 N C 1.291 176.765 175.510 -0.060 0.000 1.029 527 N CA 0.819 53.836 53.050 -0.054 0.000 0.897 527 N CB -0.528 37.925 38.487 -0.057 0.000 0.991 527 N HN 0.297 nan 8.380 nan 0.000 0.441 533 N N 1.464 120.153 118.700 -0.018 0.000 2.258 533 N HA 0.661 5.398 4.740 -0.006 0.000 0.299 533 N C -3.154 172.340 175.510 -0.027 0.000 1.047 533 N CA -1.944 51.092 53.050 -0.024 0.000 0.814 533 N CB 2.315 40.787 38.487 -0.024 0.000 1.413 533 N HN 0.204 nan 8.380 nan 0.000 0.478 534 P HA 0.231 nan 4.420 nan 0.000 0.282 534 P C -0.918 176.354 177.300 -0.046 0.000 1.262 534 P CA -0.167 62.906 63.100 -0.044 0.000 0.773 534 P CB 0.427 32.088 31.700 -0.066 0.000 0.879 535 Q N 3.024 122.801 119.800 -0.040 0.000 2.368 535 Q HA 0.514 4.850 4.340 -0.006 0.000 0.256 535 Q C -0.507 175.462 176.000 -0.052 0.000 0.980 535 Q CA -0.603 55.176 55.803 -0.041 0.000 0.887 535 Q CB 0.671 29.392 28.738 -0.028 0.000 1.221 535 Q HN 0.363 nan 8.270 nan 0.000 0.458 536 I N 2.552 123.085 120.570 -0.062 0.000 2.581 536 I HA 0.299 4.466 4.170 -0.006 0.000 0.288 536 I C 0.344 176.441 176.117 -0.034 0.000 1.047 536 I CA -0.353 60.906 61.300 -0.069 0.000 1.374 536 I CB 1.507 39.434 38.000 -0.122 0.000 1.423 536 I HN 0.743 nan 8.210 nan 0.000 0.549 537 T N 4.382 118.916 114.554 -0.034 0.000 2.928 537 T HA 0.369 4.715 4.350 -0.006 0.000 0.296 537 T C -0.646 173.993 174.700 -0.102 0.000 1.000 537 T CA -0.946 61.110 62.100 -0.073 0.000 0.989 537 T CB 1.397 70.166 68.868 -0.165 0.000 1.005 537 T HN 0.674 nan 8.240 nan 0.000 0.442 538 R N 3.386 123.901 120.500 0.025 0.000 2.308 538 R HA 0.451 4.787 4.340 -0.006 0.000 0.305 538 R C -0.983 175.247 176.300 -0.117 0.000 1.053 538 R CA -0.649 55.434 56.100 -0.029 0.000 0.957 538 R CB 0.295 30.680 30.300 0.141 0.000 1.022 538 R HN 0.557 nan 8.270 nan 0.000 0.461 539 F N 4.776 124.676 119.950 -0.083 0.000 2.406 539 F HA 0.236 4.760 4.527 -0.005 0.000 0.358 539 F C 1.135 176.868 175.800 -0.112 0.000 1.161 539 F CA -0.647 57.314 58.000 -0.064 0.000 1.185 539 F CB 1.064 40.031 39.000 -0.055 0.000 1.421 539 F HN 0.565 nan 8.300 nan 0.000 0.576 540 K N 1.423 121.875 120.400 0.087 0.000 2.519 540 K HA 0.160 4.476 4.320 -0.006 0.000 0.196 540 K C 0.878 177.446 176.600 -0.053 0.000 1.041 540 K CA 0.567 56.825 56.287 -0.048 0.000 0.954 540 K CB 0.002 32.413 32.500 -0.148 0.000 0.774 540 K HN 0.805 nan 8.250 nan 0.000 0.480 541 G N -1.125 107.672 108.800 -0.005 0.000 2.352 541 G HA2 -0.029 3.927 3.960 -0.006 0.000 0.303 541 G HA3 -0.029 3.927 3.960 -0.006 0.000 0.303 541 G C 0.061 174.924 174.900 -0.061 0.000 1.593 541 G CA -0.991 44.087 45.100 -0.037 0.000 0.963 541 G HN -0.012 nan 8.290 nan 0.000 0.685 542 L N 1.099 122.269 121.223 -0.088 0.000 2.103 542 L HA -0.147 4.189 4.340 -0.006 0.000 0.215 542 L C 3.142 179.946 176.870 -0.110 0.000 1.080 542 L CA 2.164 56.927 54.840 -0.129 0.000 0.764 542 L CB -0.539 41.454 42.059 -0.111 0.000 0.890 542 L HN 0.842 nan 8.230 nan 0.000 0.435 543 G N 0.369 109.127 108.800 -0.070 0.000 2.503 543 G HA2 -0.306 3.650 3.960 -0.006 0.000 0.221 543 G HA3 -0.306 3.650 3.960 -0.006 0.000 0.221 543 G C 1.348 176.218 174.900 -0.050 0.000 1.131 543 G CA 1.183 46.252 45.100 -0.053 0.000 0.756 543 G HN 0.700 nan 8.290 nan 0.000 0.572 544 E N -0.664 119.509 120.200 -0.045 0.000 2.476 544 E HA 0.241 4.587 4.350 -0.006 0.000 0.196 544 E C 0.974 177.554 176.600 -0.032 0.000 1.029 544 E CA -0.427 55.966 56.400 -0.012 0.000 0.896 544 E CB -0.038 29.683 29.700 0.034 0.000 1.012 544 E HN 0.297 nan 8.360 nan 0.000 0.475 545 M N 2.483 121.994 119.600 -0.148 0.000 2.228 545 M HA 0.128 4.605 4.480 -0.006 0.000 0.326 545 M C 0.117 176.329 176.300 -0.147 0.000 1.122 545 M CA -0.409 54.725 55.300 -0.277 0.000 1.161 545 M CB 0.522 32.854 32.600 -0.445 0.000 1.437 545 M HN 0.077 nan 8.290 nan 0.000 0.465 546 N N 0.624 119.253 118.700 -0.118 0.000 2.472 546 N HA 0.460 5.197 4.740 -0.006 0.000 0.289 546 N C 0.232 175.686 175.510 -0.095 0.000 1.156 546 N CA -0.372 52.637 53.050 -0.067 0.000 0.940 546 N CB 0.716 39.195 38.487 -0.013 0.000 1.200 546 N HN 0.660 nan 8.380 nan 0.000 0.511 547 A N 1.131 123.906 122.820 -0.075 0.000 1.892 547 A HA -0.171 4.146 4.320 -0.006 0.000 0.218 547 A C 1.931 179.462 177.584 -0.089 0.000 1.188 547 A CA 1.386 53.370 52.037 -0.089 0.000 0.631 547 A CB -0.930 18.030 19.000 -0.067 0.000 0.822 547 A HN 0.705 nan 8.150 nan 0.000 0.447 548 I N -0.167 120.370 120.570 -0.055 0.000 2.264 548 I HA -0.278 3.888 4.170 -0.006 0.000 0.248 548 I C 2.586 178.671 176.117 -0.053 0.000 1.111 548 I CA 1.762 63.039 61.300 -0.039 0.000 1.382 548 I CB -1.576 36.422 38.000 -0.003 0.000 1.060 548 I HN 0.503 nan 8.210 nan 0.000 0.418 549 Q N -0.486 119.277 119.800 -0.063 0.000 2.083 549 Q HA -0.164 4.173 4.340 -0.006 0.000 0.198 549 Q C 2.232 178.099 176.000 -0.222 0.000 0.969 549 Q CA 0.851 56.601 55.803 -0.089 0.000 0.838 549 Q CB -0.108 28.598 28.738 -0.054 0.000 0.900 549 Q HN 0.269 nan 8.270 nan 0.000 0.436 550 L N 1.278 122.360 121.223 -0.235 0.000 1.989 550 L HA -0.217 4.119 4.340 -0.006 0.000 0.211 550 L C 2.333 179.060 176.870 -0.238 0.000 1.071 550 L CA 1.853 56.534 54.840 -0.264 0.000 0.749 550 L CB -0.814 41.099 42.059 -0.242 0.000 0.890 550 L HN 0.132 nan 8.230 nan 0.000 0.431 551 R N -0.377 120.011 120.500 -0.188 0.000 2.122 551 R HA -0.281 4.056 4.340 -0.006 0.000 0.236 551 R C 2.275 178.489 176.300 -0.143 0.000 1.129 551 R CA 2.295 58.298 56.100 -0.161 0.000 0.925 551 R CB -0.481 29.754 30.300 -0.108 0.000 0.850 551 R HN 0.480 nan 8.270 nan 0.000 0.431 552 E N -0.923 119.205 120.200 -0.120 0.000 2.114 552 E HA -0.212 4.135 4.350 -0.006 0.000 0.199 552 E C 1.742 178.249 176.600 -0.155 0.000 1.008 552 E CA 2.447 58.786 56.400 -0.101 0.000 0.810 552 E CB 0.043 29.705 29.700 -0.063 0.000 0.739 552 E HN 0.683 nan 8.360 nan 0.000 0.456 553 T N -3.656 110.747 114.554 -0.250 0.000 2.953 553 T HA -0.024 4.322 4.350 -0.006 0.000 0.247 553 T C 2.067 176.651 174.700 -0.193 0.000 1.029 553 T CA 1.213 63.138 62.100 -0.293 0.000 1.144 553 T CB -0.220 68.370 68.868 -0.465 0.000 0.870 553 T HN 0.242 nan 8.240 nan 0.000 0.446 554 T N -0.581 113.847 114.554 -0.210 0.000 3.026 554 T HA 0.328 4.675 4.350 -0.006 0.000 0.245 554 T C 2.025 176.597 174.700 -0.214 0.000 1.004 554 T CA -0.124 61.865 62.100 -0.184 0.000 1.069 554 T CB -0.176 68.564 68.868 -0.213 0.000 1.005 554 T HN 0.198 nan 8.240 nan 0.000 0.472 555 M N 1.469 120.888 119.600 -0.302 0.000 2.224 555 M HA 0.214 4.691 4.480 -0.006 0.000 0.253 555 M C 0.860 177.093 176.300 -0.111 0.000 1.115 555 M CA 0.514 55.587 55.300 -0.377 0.000 1.168 555 M CB -1.060 31.243 32.600 -0.495 0.000 1.288 555 M HN 0.199 nan 8.290 nan 0.000 0.446 556 D N 2.814 123.165 120.400 -0.081 0.000 2.570 556 D HA -0.033 4.603 4.640 -0.006 0.000 0.243 556 D C -1.955 174.373 176.300 0.046 0.000 1.171 556 D CA -1.046 52.965 54.000 0.017 0.000 0.879 556 D CB 1.102 41.900 40.800 -0.003 0.000 1.143 556 D HN -0.035 nan 8.370 nan 0.000 0.511 557 P HA -0.139 nan 4.420 nan 0.000 0.215 557 P C 0.685 178.004 177.300 0.031 0.000 1.157 557 P CA 1.052 64.199 63.100 0.077 0.000 0.874 557 P CB 0.125 31.879 31.700 0.090 0.000 0.790 558 N N -1.076 117.640 118.700 0.026 0.000 2.485 558 N HA -0.000 4.737 4.740 -0.006 0.000 0.199 558 N C 0.317 175.834 175.510 0.011 0.000 1.236 558 N CA 1.212 54.270 53.050 0.013 0.000 0.852 558 N CB -0.230 38.262 38.487 0.009 0.000 1.018 558 N HN 0.327 nan 8.380 nan 0.000 0.457 559 T N -3.447 111.111 114.554 0.008 0.000 3.781 559 T HA 0.082 4.428 4.350 -0.006 0.000 0.313 559 T C 0.169 174.862 174.700 -0.011 0.000 0.881 559 T CA -0.639 61.463 62.100 0.004 0.000 0.935 559 T CB 0.065 68.934 68.868 0.002 0.000 1.187 559 T HN 0.231 nan 8.240 nan 0.000 0.663 560 R N 0.698 121.192 120.500 -0.010 0.000 2.474 560 R HA 0.733 5.070 4.340 -0.006 0.000 0.295 560 R C -0.594 175.705 176.300 -0.002 0.000 0.980 560 R CA -1.002 55.084 56.100 -0.023 0.000 0.934 560 R CB 1.498 31.786 30.300 -0.019 0.000 1.101 560 R HN -0.033 nan 8.270 nan 0.000 0.469 561 R N 2.340 122.839 120.500 -0.001 0.000 2.202 561 R HA 0.287 4.624 4.340 -0.006 0.000 0.334 561 R C -1.224 175.097 176.300 0.035 0.000 1.036 561 R CA -0.744 55.372 56.100 0.026 0.000 0.878 561 R CB 0.956 31.279 30.300 0.040 0.000 1.067 561 R HN 0.460 nan 8.270 nan 0.000 0.457 562 L N 5.089 126.336 121.223 0.040 0.000 2.573 562 L HA 0.246 4.583 4.340 -0.006 0.000 0.260 562 L C -1.145 175.773 176.870 0.080 0.000 0.997 562 L CA -0.526 54.341 54.840 0.044 0.000 0.890 562 L CB 1.800 43.852 42.059 -0.011 0.000 1.179 562 L HN 0.225 nan 8.230 nan 0.000 0.439 563 V N 3.761 123.736 119.914 0.101 0.000 2.555 563 V HA 0.286 4.402 4.120 -0.006 0.000 0.286 563 V C 0.404 176.605 176.094 0.180 0.000 1.044 563 V CA -0.288 62.077 62.300 0.108 0.000 1.026 563 V CB 1.233 33.093 31.823 0.061 0.000 0.981 563 V HN 0.825 nan 8.190 nan 0.000 0.480 564 Q N 4.223 124.121 119.800 0.164 0.000 2.274 564 Q HA 0.525 4.861 4.340 -0.006 0.000 0.256 564 Q C -1.193 174.718 176.000 -0.148 0.000 0.927 564 Q CA -0.511 55.286 55.803 -0.011 0.000 0.939 564 Q CB 1.098 29.868 28.738 0.053 0.000 1.201 564 Q HN 0.717 nan 8.270 nan 0.000 0.426 565 L N 3.925 124.979 121.223 -0.282 0.000 2.289 565 L HA 0.420 4.757 4.340 -0.006 0.000 0.285 565 L C -0.723 176.047 176.870 -0.167 0.000 1.049 565 L CA -0.776 53.941 54.840 -0.205 0.000 0.804 565 L CB 1.289 43.199 42.059 -0.248 0.000 1.195 565 L HN 0.649 nan 8.230 nan 0.000 0.428 566 D N 3.175 123.525 120.400 -0.084 0.000 2.192 566 D HA 0.308 4.945 4.640 -0.006 0.000 0.246 566 D C -0.211 176.079 176.300 -0.016 0.000 1.042 566 D CA -0.345 53.623 54.000 -0.054 0.000 0.847 566 D CB 2.710 43.493 40.800 -0.029 0.000 1.186 566 D HN 0.144 nan 8.370 nan 0.000 0.461 567 L N 2.194 123.413 121.223 -0.006 0.000 3.096 567 L HA 0.236 4.573 4.340 -0.006 0.000 0.247 567 L C 0.675 177.560 176.870 0.025 0.000 1.321 567 L CA 0.032 54.887 54.840 0.024 0.000 1.044 567 L CB -0.098 41.984 42.059 0.039 0.000 1.434 567 L HN 0.176 nan 8.230 nan 0.000 0.533 568 D N 0.413 120.824 120.400 0.019 0.000 2.218 568 D HA -0.080 4.557 4.640 -0.006 0.000 0.204 568 D C 0.231 176.544 176.300 0.022 0.000 0.976 568 D CA 1.204 55.214 54.000 0.017 0.000 0.853 568 D CB 0.314 41.122 40.800 0.013 0.000 0.939 568 D HN 0.662 nan 8.370 nan 0.000 0.481 569 D N -1.000 119.417 120.400 0.028 0.000 2.402 569 D HA 0.289 4.926 4.640 -0.006 0.000 0.252 569 D C 0.728 177.051 176.300 0.038 0.000 1.294 569 D CA -0.526 53.491 54.000 0.029 0.000 0.948 569 D CB 1.584 42.400 40.800 0.026 0.000 1.202 569 D HN -0.130 nan 8.370 nan 0.000 0.561 570 A N 2.722 125.566 122.820 0.040 0.000 1.927 570 A HA -0.270 4.047 4.320 -0.006 0.000 0.220 570 A C 2.206 179.825 177.584 0.060 0.000 1.185 570 A CA 2.727 54.798 52.037 0.056 0.000 0.639 570 A CB -1.698 17.330 19.000 0.046 0.000 0.820 570 A HN 0.903 nan 8.150 nan 0.000 0.451 571 H N -2.011 117.085 119.070 0.042 0.000 2.254 571 H HA 0.040 4.592 4.556 -0.006 0.000 0.294 571 H C 2.649 178.002 175.328 0.041 0.000 1.071 571 H CA 3.684 59.756 56.048 0.039 0.000 1.228 571 H CB -1.272 28.506 29.762 0.027 0.000 1.358 571 H HN 1.002 nan 8.280 nan 0.000 0.495 572 L N 0.361 121.603 121.223 0.033 0.000 1.991 572 L HA -0.216 4.121 4.340 -0.006 0.000 0.221 572 L C 2.979 179.863 176.870 0.023 0.000 1.079 572 L CA 3.952 58.807 54.840 0.025 0.000 0.778 572 L CB -2.139 39.935 42.059 0.026 0.000 0.893 572 L HN 0.728 nan 8.230 nan 0.000 0.437 573 T N -0.519 114.057 114.554 0.036 0.000 2.486 573 T HA -0.199 4.148 4.350 -0.006 0.000 0.257 573 T C 2.258 176.986 174.700 0.046 0.000 1.175 573 T CA 2.875 64.997 62.100 0.036 0.000 1.207 573 T CB -0.861 68.050 68.868 0.072 0.000 0.864 573 T HN 1.065 nan 8.240 nan 0.000 0.405 574 A N 1.119 124.035 122.820 0.160 0.000 2.076 574 A HA 0.064 4.380 4.320 -0.006 0.000 0.220 574 A C 2.510 180.231 177.584 0.229 0.000 1.160 574 A CA 2.012 54.262 52.037 0.355 0.000 0.653 574 A CB -1.349 17.862 19.000 0.351 0.000 0.801 574 A HN 0.583 nan 8.150 nan 0.000 0.455 575 G N 0.158 109.015 108.800 0.095 0.000 2.433 575 G HA2 -0.139 3.818 3.960 -0.006 0.000 0.216 575 G HA3 -0.139 3.818 3.960 -0.006 0.000 0.216 575 G C 1.495 176.373 174.900 -0.037 0.000 1.186 575 G CA 1.169 46.293 45.100 0.040 0.000 0.779 575 G HN 0.610 nan 8.290 nan 0.000 0.543 576 L N 0.671 121.841 121.223 -0.089 0.000 1.970 576 L HA 0.016 4.353 4.340 -0.006 0.000 0.212 576 L C 2.727 179.390 176.870 -0.344 0.000 1.071 576 L CA 1.638 56.359 54.840 -0.198 0.000 0.751 576 L CB -0.586 41.373 42.059 -0.167 0.000 0.889 576 L HN 0.213 nan 8.230 nan 0.000 0.432 577 L N -0.409 120.547 121.223 -0.445 0.000 2.129 577 L HA -0.256 4.081 4.340 -0.006 0.000 0.212 577 L C 2.199 178.527 176.870 -0.904 0.000 1.087 577 L CA 1.588 55.913 54.840 -0.858 0.000 0.757 577 L CB -1.019 40.153 42.059 -1.478 0.000 0.896 577 L HN 0.391 nan 8.230 nan 0.000 0.434 578 D N 0.180 120.341 120.400 -0.398 0.000 2.104 578 D HA -0.222 4.415 4.640 -0.006 0.000 0.194 578 D C 2.243 178.447 176.300 -0.161 0.000 0.994 578 D CA 1.202 55.186 54.000 -0.027 0.000 0.830 578 D CB 0.004 40.918 40.800 0.190 0.000 0.959 578 D HN 0.139 nan 8.370 nan 0.000 0.452 579 K N -0.027 120.240 120.400 -0.221 0.000 2.152 579 K HA -0.151 4.166 4.320 -0.006 0.000 0.206 579 K C 1.704 178.109 176.600 -0.324 0.000 1.048 579 K CA 1.017 57.156 56.287 -0.246 0.000 0.933 579 K CB 0.023 32.336 32.500 -0.312 0.000 0.721 579 K HN 0.213 nan 8.250 nan 0.000 0.447 580 L N -0.138 120.803 121.223 -0.471 0.000 2.286 580 L HA 0.045 4.381 4.340 -0.006 0.000 0.203 580 L C 1.631 178.244 176.870 -0.428 0.000 1.068 580 L CA 0.252 54.772 54.840 -0.534 0.000 0.811 580 L CB 0.009 41.561 42.059 -0.846 0.000 0.989 580 L HN 0.043 nan 8.230 nan 0.000 0.467 581 L N 0.190 121.141 121.223 -0.454 0.000 2.741 581 L HA 0.413 4.750 4.340 -0.006 0.000 0.237 581 L C 0.460 177.305 176.870 -0.042 0.000 1.178 581 L CA -0.331 54.328 54.840 -0.300 0.000 0.973 581 L CB -0.114 41.682 42.059 -0.438 0.000 1.255 581 L HN 0.055 nan 8.230 nan 0.000 0.498 582 A N 0.066 122.880 122.820 -0.011 0.000 2.258 582 A HA 0.546 4.863 4.320 -0.006 0.000 0.316 582 A C 1.140 178.763 177.584 0.065 0.000 1.279 582 A CA -0.259 51.829 52.037 0.085 0.000 0.876 582 A CB 0.891 19.949 19.000 0.097 0.000 1.170 582 A HN 0.237 nan 8.150 nan 0.000 0.520 583 K N 1.841 122.287 120.400 0.077 0.000 2.589 583 K HA -0.120 4.196 4.320 -0.006 0.000 0.195 583 K C 1.073 177.708 176.600 0.057 0.000 1.042 583 K CA 2.080 58.409 56.287 0.069 0.000 0.940 583 K CB -0.658 31.882 32.500 0.066 0.000 0.776 583 K HN 0.774 nan 8.250 nan 0.000 0.487 584 K N -0.846 119.584 120.400 0.052 0.000 2.365 584 K HA 0.102 4.418 4.320 -0.006 0.000 0.195 584 K C 1.415 178.041 176.600 0.043 0.000 1.079 584 K CA 0.018 56.331 56.287 0.043 0.000 0.979 584 K CB 0.684 33.206 32.500 0.037 0.000 0.929 584 K HN 0.318 nan 8.250 nan 0.000 0.523 585 R N 1.181 121.705 120.500 0.040 0.000 2.363 585 R HA 0.225 4.562 4.340 -0.006 0.000 0.236 585 R C 1.619 177.950 176.300 0.052 0.000 0.966 585 R CA 0.174 56.294 56.100 0.034 0.000 1.100 585 R CB -0.087 30.219 30.300 0.009 0.000 1.125 585 R HN 0.069 nan 8.270 nan 0.000 0.514 586 A N 1.878 124.737 122.820 0.066 0.000 1.997 586 A HA -0.271 4.045 4.320 -0.006 0.000 0.221 586 A C 2.409 180.045 177.584 0.087 0.000 1.172 586 A CA 1.951 54.040 52.037 0.087 0.000 0.645 586 A CB -0.416 18.631 19.000 0.078 0.000 0.813 586 A HN 0.460 nan 8.150 nan 0.000 0.454 587 A N 0.337 123.198 122.820 0.068 0.000 1.859 587 A HA -0.251 4.066 4.320 -0.006 0.000 0.217 587 A C 1.753 179.389 177.584 0.086 0.000 1.198 587 A CA 2.161 54.237 52.037 0.066 0.000 0.629 587 A CB -0.862 18.169 19.000 0.051 0.000 0.830 587 A HN 0.492 nan 8.150 nan 0.000 0.446 588 D N -1.058 119.391 120.400 0.082 0.000 2.144 588 D HA -0.069 4.568 4.640 -0.006 0.000 0.200 588 D C 2.108 178.517 176.300 0.181 0.000 0.978 588 D CA 1.150 55.210 54.000 0.100 0.000 0.833 588 D CB -0.261 40.570 40.800 0.050 0.000 0.961 588 D HN 0.384 nan 8.370 nan 0.000 0.470 589 R N 0.718 121.332 120.500 0.191 0.000 2.082 589 R HA -0.112 4.225 4.340 -0.006 0.000 0.234 589 R C 2.110 178.613 176.300 0.338 0.000 1.136 589 R CA 1.375 57.693 56.100 0.364 0.000 0.935 589 R CB -0.182 30.302 30.300 0.308 0.000 0.842 589 R HN 0.074 nan 8.270 nan 0.000 0.430 590 K N 0.489 121.006 120.400 0.194 0.000 2.034 590 K HA -0.317 3.999 4.320 -0.006 0.000 0.214 590 K C 2.180 178.847 176.600 0.112 0.000 1.051 590 K CA 2.121 58.481 56.287 0.122 0.000 0.931 590 K CB -0.151 32.396 32.500 0.079 0.000 0.715 590 K HN 0.268 nan 8.250 nan 0.000 0.446 591 Q N -0.362 119.516 119.800 0.131 0.000 2.020 591 Q HA -0.221 4.115 4.340 -0.006 0.000 0.202 591 Q C 2.001 178.091 176.000 0.150 0.000 0.982 591 Q CA 2.114 57.985 55.803 0.115 0.000 0.838 591 Q CB -0.449 28.357 28.738 0.112 0.000 0.899 591 Q HN 0.559 nan 8.270 nan 0.000 0.423 592 W N 1.395 122.711 121.300 0.026 0.000 2.308 592 W HA -0.258 4.399 4.660 -0.005 0.000 0.301 592 W C 1.557 178.092 176.519 0.027 0.000 1.220 592 W CA 1.836 59.199 57.345 0.029 0.000 1.240 592 W CB -0.470 29.014 29.460 0.040 0.000 1.142 592 W HN 0.198 nan 8.180 nan 0.000 0.521 593 L N 0.240 121.349 121.223 -0.190 0.000 2.027 593 L HA -0.172 4.164 4.340 -0.006 0.000 0.206 593 L C 2.407 179.121 176.870 -0.260 0.000 1.074 593 L CA 1.931 56.523 54.840 -0.413 0.000 0.745 593 L CB -1.047 40.890 42.059 -0.204 0.000 0.898 593 L HN -0.092 nan 8.230 nan 0.000 0.433 594 E N -0.371 119.757 120.200 -0.120 0.000 2.331 594 E HA -0.238 4.108 4.350 -0.006 0.000 0.199 594 E C 2.146 178.696 176.600 -0.084 0.000 1.008 594 E CA 0.779 57.130 56.400 -0.082 0.000 0.843 594 E CB 0.021 29.701 29.700 -0.033 0.000 0.761 594 E HN 0.498 nan 8.360 nan 0.000 0.507 595 Q N -0.150 119.590 119.800 -0.100 0.000 2.302 595 Q HA 0.025 4.361 4.340 -0.006 0.000 0.202 595 Q C 0.530 176.460 176.000 -0.117 0.000 0.936 595 Q CA 0.579 56.340 55.803 -0.071 0.000 0.886 595 Q CB 0.527 29.263 28.738 -0.002 0.000 0.986 595 Q HN -0.024 nan 8.270 nan 0.000 0.487 596 K N 0.675 120.934 120.400 -0.236 0.000 2.965 596 K HA 0.362 4.678 4.320 -0.006 0.000 0.216 596 K C -0.162 176.326 176.600 -0.187 0.000 1.164 596 K CA 0.031 56.186 56.287 -0.221 0.000 1.153 596 K CB 1.105 33.398 32.500 -0.346 0.000 1.045 596 K HN 0.188 nan 8.250 nan 0.000 0.460 1009 T N 1.060 115.638 114.554 0.041 0.000 2.746 1009 T HA -0.058 4.288 4.350 -0.006 0.000 0.267 1009 T C 0.818 175.546 174.700 0.046 0.000 1.039 1009 T CA 2.175 64.299 62.100 0.040 0.000 1.142 1009 T CB -0.132 68.760 68.868 0.040 0.000 0.866 1009 T HN 0.888 nan 8.240 nan 0.000 0.444 1010 E N 1.340 121.574 120.200 0.056 0.000 2.336 1010 E HA 0.377 4.724 4.350 -0.006 0.000 0.267 1010 E C -1.334 175.304 176.600 0.062 0.000 0.906 1010 E CA -0.819 55.615 56.400 0.057 0.000 0.781 1010 E CB 1.321 31.057 29.700 0.060 0.000 1.261 1010 E HN 0.273 nan 8.360 nan 0.000 0.436 1011 N N 0.493 119.222 118.700 0.050 0.000 2.404 1011 N HA 0.539 5.275 4.740 -0.006 0.000 0.297 1011 N C -0.490 175.046 175.510 0.043 0.000 1.163 1011 N CA -0.765 52.306 53.050 0.036 0.000 0.864 1011 N CB 1.895 40.391 38.487 0.016 0.000 1.247 1011 N HN 0.253 nan 8.380 nan 0.000 0.510 1012 R N -0.300 120.220 120.500 0.033 0.000 2.855 1012 R HA 0.391 4.727 4.340 -0.006 0.000 0.266 1012 R C -0.894 175.434 176.300 0.046 0.000 1.034 1012 R CA -0.848 55.291 56.100 0.066 0.000 0.944 1012 R CB 1.790 32.167 30.300 0.128 0.000 1.219 1012 R HN 0.599 nan 8.270 nan 0.000 0.474 1013 S N -0.155 115.592 115.700 0.079 0.000 2.480 1013 S HA 0.128 4.594 4.470 -0.006 0.000 0.286 1013 S C 1.321 175.982 174.600 0.102 0.000 1.180 1013 S CA -0.802 57.437 58.200 0.065 0.000 1.075 1013 S CB 1.489 64.727 63.200 0.064 0.000 0.996 1013 S HN 0.392 nan 8.310 nan 0.000 0.487 1014 V N 3.859 123.813 119.914 0.065 0.000 2.313 1014 V HA -0.298 3.819 4.120 -0.006 0.000 0.253 1014 V C 2.923 179.108 176.094 0.152 0.000 1.070 1014 V CA 2.602 64.962 62.300 0.100 0.000 1.057 1014 V CB -1.941 29.925 31.823 0.072 0.000 0.653 1014 V HN 1.009 nan 8.190 nan 0.000 0.450 1015 A N -0.653 122.225 122.820 0.097 0.000 1.854 1015 A HA -0.205 4.112 4.320 -0.006 0.000 0.214 1015 A C 2.352 179.997 177.584 0.101 0.000 1.192 1015 A CA 1.581 53.658 52.037 0.067 0.000 0.611 1015 A CB -0.544 18.479 19.000 0.038 0.000 0.832 1015 A HN 0.502 nan 8.150 nan 0.000 0.442 1016 E N -0.636 119.635 120.200 0.118 0.000 2.070 1016 E HA -0.234 4.113 4.350 -0.006 0.000 0.197 1016 E C 1.835 178.538 176.600 0.171 0.000 1.004 1016 E CA 1.792 58.270 56.400 0.131 0.000 0.805 1016 E CB -0.331 29.443 29.700 0.124 0.000 0.744 1016 E HN 0.628 nan 8.360 nan 0.000 0.451 1017 F N 1.127 121.112 119.950 0.058 0.000 2.128 1017 F HA -0.154 4.370 4.527 -0.004 0.000 0.295 1017 F C 2.623 178.474 175.800 0.085 0.000 1.100 1017 F CA 2.347 60.389 58.000 0.069 0.000 1.260 1017 F CB -0.545 38.490 39.000 0.059 0.000 1.009 1017 F HN 0.057 nan 8.300 nan 0.000 0.476 1018 T N -2.284 112.416 114.554 0.244 0.000 2.995 1018 T HA -0.144 4.203 4.350 -0.006 0.000 0.269 1018 T C 1.776 176.509 174.700 0.055 0.000 1.091 1018 T CA 1.269 63.431 62.100 0.103 0.000 1.128 1018 T CB -0.570 68.385 68.868 0.145 0.000 0.891 1018 T HN 0.605 nan 8.240 nan 0.000 0.492 1019 E N 0.585 120.831 120.200 0.077 0.000 2.046 1019 E HA -0.199 4.147 4.350 -0.006 0.000 0.190 1019 E C 2.482 179.209 176.600 0.211 0.000 0.982 1019 E CA 0.745 57.251 56.400 0.176 0.000 0.800 1019 E CB -0.226 29.577 29.700 0.172 0.000 0.756 1019 E HN 0.494 nan 8.360 nan 0.000 0.449 1020 Q N 0.428 120.274 119.800 0.076 0.000 2.112 1020 Q HA -0.207 4.130 4.340 -0.006 0.000 0.206 1020 Q C 1.860 177.842 176.000 -0.030 0.000 0.987 1020 Q CA 1.905 57.718 55.803 0.017 0.000 0.858 1020 Q CB -0.146 28.569 28.738 -0.039 0.000 0.905 1020 Q HN 0.351 nan 8.270 nan 0.000 0.420 1021 A N -0.712 122.020 122.820 -0.148 0.000 1.903 1021 A HA -0.120 4.197 4.320 -0.006 0.000 0.213 1021 A C 1.871 179.509 177.584 0.089 0.000 1.185 1021 A CA 0.843 52.785 52.037 -0.158 0.000 0.628 1021 A CB -0.831 17.892 19.000 -0.462 0.000 0.830 1021 A HN 0.499 nan 8.150 nan 0.000 0.446 1022 Y N -0.193 120.151 120.300 0.073 0.000 2.293 1022 Y HA -0.099 4.447 4.550 -0.006 0.000 0.291 1022 Y C 1.966 178.064 175.900 0.329 0.000 1.137 1022 Y CA 1.368 59.599 58.100 0.219 0.000 1.202 1022 Y CB -0.069 38.499 38.460 0.180 0.000 0.990 1022 Y HN 0.270 nan 8.280 nan 0.000 0.537 1023 L N 0.810 122.251 121.223 0.364 0.000 2.056 1023 L HA -0.204 4.133 4.340 -0.006 0.000 0.207 1023 L C 2.220 179.093 176.870 0.005 0.000 1.078 1023 L CA 1.942 56.869 54.840 0.145 0.000 0.749 1023 L CB -1.285 40.807 42.059 0.054 0.000 0.901 1023 L HN 0.284 nan 8.230 nan 0.000 0.433 1024 N N -0.973 117.750 118.700 0.038 0.000 2.069 1024 N HA -0.323 4.413 4.740 -0.006 0.000 0.191 1024 N C 2.093 177.632 175.510 0.048 0.000 1.031 1024 N CA 2.037 55.105 53.050 0.030 0.000 0.852 1024 N CB -0.435 38.069 38.487 0.030 0.000 1.018 1024 N HN 0.549 nan 8.380 nan 0.000 0.423 1025 Y N 1.248 121.485 120.300 -0.106 0.000 2.145 1025 Y HA -0.040 4.507 4.550 -0.005 0.000 0.286 1025 Y C 2.445 178.231 175.900 -0.190 0.000 1.145 1025 Y CA 1.909 59.907 58.100 -0.170 0.000 1.148 1025 Y CB -0.802 37.478 38.460 -0.300 0.000 0.981 1025 Y HN 0.166 nan 8.280 nan 0.000 0.507 1026 A N 0.200 122.846 122.820 -0.290 0.000 1.877 1026 A HA -0.210 4.107 4.320 -0.006 0.000 0.216 1026 A C 2.221 179.659 177.584 -0.243 0.000 1.186 1026 A CA 2.088 53.936 52.037 -0.316 0.000 0.620 1026 A CB -0.748 18.174 19.000 -0.129 0.000 0.822 1026 A HN 0.473 nan 8.150 nan 0.000 0.443 1027 M N -1.891 117.610 119.600 -0.165 0.000 2.080 1027 M HA -0.134 4.342 4.480 -0.006 0.000 0.260 1027 M C 2.174 178.411 176.300 -0.106 0.000 1.068 1027 M CA 1.604 56.828 55.300 -0.127 0.000 1.109 1027 M CB -1.489 31.057 32.600 -0.089 0.000 1.342 1027 M HN 0.645 nan 8.290 nan 0.000 0.405 1028 Y N 0.981 121.159 120.300 -0.203 0.000 2.242 1028 Y HA -0.157 4.390 4.550 -0.005 0.000 0.291 1028 Y C 2.244 178.012 175.900 -0.220 0.000 1.137 1028 Y CA 1.910 59.909 58.100 -0.169 0.000 1.181 1028 Y CB -0.158 38.225 38.460 -0.129 0.000 0.989 1028 Y HN 0.091 nan 8.280 nan 0.000 0.527 1029 V N -1.555 118.230 119.914 -0.215 0.000 2.951 1029 V HA -0.109 4.008 4.120 -0.006 0.000 0.255 1029 V C 1.957 177.907 176.094 -0.239 0.000 1.088 1029 V CA 1.343 63.479 62.300 -0.274 0.000 1.109 1029 V CB -0.653 30.871 31.823 -0.500 0.000 0.724 1029 V HN 0.441 nan 8.190 nan 0.000 0.471 1030 I N -0.196 120.242 120.570 -0.220 0.000 2.110 1030 I HA -0.133 4.033 4.170 -0.006 0.000 0.236 1030 I C 2.883 178.901 176.117 -0.165 0.000 1.068 1030 I CA 2.011 63.215 61.300 -0.160 0.000 1.333 1030 I CB -0.375 37.544 38.000 -0.135 0.000 1.054 1030 I HN 0.261 nan 8.210 nan 0.000 0.402 1031 M N 0.106 119.592 119.600 -0.190 0.000 2.059 1031 M HA -0.147 4.329 4.480 -0.006 0.000 0.259 1031 M C 0.739 176.899 176.300 -0.233 0.000 1.072 1031 M CA 1.739 56.930 55.300 -0.180 0.000 1.117 1031 M CB -1.102 31.397 32.600 -0.169 0.000 1.320 1031 M HN 0.178 nan 8.290 nan 0.000 0.408 1032 D N -0.370 119.769 120.400 -0.434 0.000 2.738 1032 D HA 0.235 4.871 4.640 -0.006 0.000 0.246 1032 D C 1.330 177.377 176.300 -0.422 0.000 1.270 1032 D CA 0.099 53.794 54.000 -0.508 0.000 0.833 1032 D CB 1.005 41.275 40.800 -0.882 0.000 1.040 1032 D HN 0.368 nan 8.370 nan 0.000 0.487 1033 R N -0.474 119.886 120.500 -0.235 0.000 4.933 1033 R HA 0.194 4.531 4.340 -0.006 0.000 0.075 1033 R C 1.158 177.431 176.300 -0.044 0.000 0.685 1033 R CA 0.457 56.499 56.100 -0.096 0.000 1.394 1033 R CB -0.199 30.061 30.300 -0.067 0.000 1.458 1033 R HN 0.007 nan 8.270 nan 0.000 0.400 1034 A N 1.236 124.020 122.820 -0.061 0.000 1.901 1034 A HA 0.288 4.605 4.320 -0.006 0.000 0.210 1034 A C 0.224 177.796 177.584 -0.019 0.000 1.208 1034 A CA 0.364 52.384 52.037 -0.028 0.000 0.644 1034 A CB -0.115 18.865 19.000 -0.034 0.000 0.863 1034 A HN 0.093 nan 8.150 nan 0.000 0.454 1035 L N 0.983 122.183 121.223 -0.037 0.000 2.436 1035 L HA 0.349 4.685 4.340 -0.006 0.000 0.265 1035 L C -2.140 174.722 176.870 -0.014 0.000 1.168 1035 L CA -1.918 52.906 54.840 -0.027 0.000 0.815 1035 L CB -0.139 41.892 42.059 -0.045 0.000 1.109 1035 L HN 0.164 nan 8.230 nan 0.000 0.462 1036 P HA 0.208 nan 4.420 nan 0.000 0.284 1036 P C -0.939 176.382 177.300 0.035 0.000 1.287 1036 P CA -0.470 62.649 63.100 0.032 0.000 0.824 1036 P CB 0.849 32.577 31.700 0.046 0.000 1.180 1037 H N 0.400 119.463 119.070 -0.011 0.000 2.496 1037 H HA 0.261 4.813 4.556 -0.006 0.000 0.342 1037 H C 0.914 176.253 175.328 0.018 0.000 1.170 1037 H CA -0.395 55.645 56.048 -0.014 0.000 1.274 1037 H CB 1.585 31.325 29.762 -0.036 0.000 1.538 1037 H HN 0.340 nan 8.280 nan 0.000 0.542 1038 I N 2.100 122.632 120.570 -0.064 0.000 2.353 1038 I HA -0.242 3.924 4.170 -0.006 0.000 0.248 1038 I C 1.978 178.273 176.117 0.296 0.000 1.119 1038 I CA 1.157 62.513 61.300 0.094 0.000 1.417 1038 I CB -0.051 37.946 38.000 -0.005 0.000 1.078 1038 I HN 0.643 nan 8.210 nan 0.000 0.421 1039 S N 1.783 117.727 115.700 0.407 0.000 2.426 1039 S HA -0.297 4.170 4.470 -0.006 0.000 0.220 1039 S C 1.574 176.330 174.600 0.261 0.000 1.040 1039 S CA 1.837 60.169 58.200 0.221 0.000 1.094 1039 S CB -1.187 62.034 63.200 0.034 0.000 1.072 1039 S HN 0.678 nan 8.310 nan 0.000 0.415 1040 D N 0.391 120.879 120.400 0.145 0.000 2.249 1040 D HA 0.309 4.946 4.640 -0.006 0.000 0.205 1040 D C 1.341 177.725 176.300 0.140 0.000 0.962 1040 D CA 0.648 54.720 54.000 0.121 0.000 0.860 1040 D CB -0.871 39.939 40.800 0.018 0.000 0.955 1040 D HN 0.896 nan 8.370 nan 0.000 0.505 1041 G N 0.096 108.985 108.800 0.148 0.000 2.255 1041 G HA2 -0.158 3.799 3.960 -0.006 0.000 0.239 1041 G HA3 -0.158 3.799 3.960 -0.006 0.000 0.239 1041 G C -0.360 174.603 174.900 0.106 0.000 1.083 1041 G CA 0.113 45.289 45.100 0.127 0.000 0.826 1041 G HN 0.353 nan 8.290 nan 0.000 0.493 1042 L N -1.155 120.122 121.223 0.090 0.000 2.333 1042 L HA 0.658 4.995 4.340 -0.006 0.000 0.263 1042 L C 0.524 177.425 176.870 0.052 0.000 1.014 1042 L CA -1.344 53.539 54.840 0.071 0.000 0.820 1042 L CB 1.832 43.914 42.059 0.039 0.000 1.352 1042 L HN 0.070 nan 8.230 nan 0.000 0.421 1043 K N 1.089 121.515 120.400 0.043 0.000 2.087 1043 K HA 0.326 4.643 4.320 -0.006 0.000 0.255 1043 K C -1.921 174.684 176.600 0.008 0.000 0.988 1043 K CA -1.581 54.719 56.287 0.023 0.000 0.915 1043 K CB 0.961 33.477 32.500 0.026 0.000 1.043 1043 K HN 0.177 nan 8.250 nan 0.000 0.457 1044 P HA -0.193 nan 4.420 nan 0.000 0.215 1044 P C 1.424 178.719 177.300 -0.008 0.000 1.153 1044 P CA 0.706 63.819 63.100 0.022 0.000 0.853 1044 P CB 0.195 31.939 31.700 0.074 0.000 0.788 1045 V N -0.607 119.282 119.914 -0.043 0.000 2.568 1045 V HA -0.302 3.815 4.120 -0.006 0.000 0.253 1045 V C 2.106 178.097 176.094 -0.171 0.000 1.072 1045 V CA 2.014 64.140 62.300 -0.291 0.000 1.084 1045 V CB -0.814 30.872 31.823 -0.229 0.000 0.676 1045 V HN 0.154 nan 8.190 nan 0.000 0.469 1046 Q N -0.649 119.110 119.800 -0.069 0.000 2.089 1046 Q HA -0.118 4.219 4.340 -0.006 0.000 0.195 1046 Q C 2.444 178.414 176.000 -0.050 0.000 0.963 1046 Q CA 1.552 57.330 55.803 -0.042 0.000 0.834 1046 Q CB -0.304 28.440 28.738 0.010 0.000 0.906 1046 Q HN 0.573 nan 8.270 nan 0.000 0.452 1047 R N 1.141 121.611 120.500 -0.051 0.000 2.070 1047 R HA -0.137 4.200 4.340 -0.006 0.000 0.233 1047 R C 2.152 178.404 176.300 -0.080 0.000 1.137 1047 R CA 1.473 57.529 56.100 -0.074 0.000 0.945 1047 R CB -0.027 30.211 30.300 -0.105 0.000 0.845 1047 R HN 0.084 nan 8.270 nan 0.000 0.430 1048 R N 0.149 120.602 120.500 -0.078 0.000 2.117 1048 R HA -0.138 4.199 4.340 -0.006 0.000 0.243 1048 R C 2.328 178.614 176.300 -0.023 0.000 1.143 1048 R CA 1.878 57.939 56.100 -0.065 0.000 0.968 1048 R CB -0.333 29.997 30.300 0.050 0.000 0.863 1048 R HN 0.358 nan 8.270 nan 0.000 0.444 1049 I N -0.311 120.242 120.570 -0.027 0.000 2.133 1049 I HA -0.263 3.903 4.170 -0.006 0.000 0.238 1049 I C 2.199 178.311 176.117 -0.008 0.000 1.074 1049 I CA 1.185 62.485 61.300 -0.000 0.000 1.342 1049 I CB -0.282 37.707 38.000 -0.018 0.000 1.053 1049 I HN -0.016 nan 8.210 nan 0.000 0.404 1050 V N 0.361 120.259 119.914 -0.027 0.000 2.332 1050 V HA -0.336 3.781 4.120 -0.006 0.000 0.248 1050 V C 2.289 178.379 176.094 -0.007 0.000 1.055 1050 V CA 2.054 64.337 62.300 -0.029 0.000 1.038 1050 V CB -0.859 30.940 31.823 -0.040 0.000 0.651 1050 V HN 0.419 nan 8.190 nan 0.000 0.450 1051 Y N 1.468 121.678 120.300 -0.151 0.000 2.114 1051 Y HA -0.198 4.348 4.550 -0.006 0.000 0.284 1051 Y C 2.418 178.254 175.900 -0.108 0.000 1.143 1051 Y CA 1.347 59.339 58.100 -0.180 0.000 1.135 1051 Y CB -0.863 37.391 38.460 -0.343 0.000 0.980 1051 Y HN 0.144 nan 8.280 nan 0.000 0.499 1052 A N 0.469 123.170 122.820 -0.199 0.000 1.948 1052 A HA -0.262 4.054 4.320 -0.006 0.000 0.220 1052 A C 2.347 179.885 177.584 -0.077 0.000 1.177 1052 A CA 2.291 54.290 52.037 -0.063 0.000 0.636 1052 A CB -0.829 18.263 19.000 0.153 0.000 0.815 1052 A HN 0.606 nan 8.150 nan 0.000 0.449 1053 M N -1.323 118.238 119.600 -0.065 0.000 2.200 1053 M HA -0.089 4.388 4.480 -0.006 0.000 0.265 1053 M C 2.538 178.793 176.300 -0.074 0.000 1.066 1053 M CA 1.537 56.809 55.300 -0.046 0.000 1.127 1053 M CB -0.369 32.210 32.600 -0.034 0.000 1.379 1053 M HN 0.550 nan 8.290 nan 0.000 0.420 1054 S N 0.387 116.017 115.700 -0.116 0.000 2.355 1054 S HA -0.129 4.338 4.470 -0.006 0.000 0.222 1054 S C 1.728 176.248 174.600 -0.133 0.000 1.031 1054 S CA 1.148 59.285 58.200 -0.105 0.000 0.993 1054 S CB -0.134 63.016 63.200 -0.083 0.000 0.859 1054 S HN 0.367 nan 8.310 nan 0.000 0.453 1055 E N 0.483 120.529 120.200 -0.256 0.000 2.409 1055 E HA -0.008 4.339 4.350 -0.006 0.000 0.198 1055 E C 1.405 177.956 176.600 -0.082 0.000 1.024 1055 E CA 0.458 56.736 56.400 -0.203 0.000 0.861 1055 E CB -0.112 29.390 29.700 -0.329 0.000 0.788 1055 E HN 0.530 nan 8.360 nan 0.000 0.521 1056 L N -0.477 120.709 121.223 -0.062 0.000 2.592 1056 L HA 0.156 4.493 4.340 -0.006 0.000 0.227 1056 L C 1.079 177.937 176.870 -0.019 0.000 1.127 1056 L CA 0.151 54.977 54.840 -0.025 0.000 0.884 1056 L CB 0.148 42.201 42.059 -0.010 0.000 1.065 1056 L HN 0.061 nan 8.230 nan 0.000 0.457 1057 G N 1.180 109.962 108.800 -0.029 0.000 2.366 1057 G HA2 -0.297 3.659 3.960 -0.006 0.000 0.299 1057 G HA3 -0.297 3.659 3.960 -0.006 0.000 0.299 1057 G C 0.268 175.161 174.900 -0.011 0.000 1.020 1057 G CA 0.005 45.095 45.100 -0.016 0.000 1.026 1057 G HN 0.322 nan 8.290 nan 0.000 0.512 1058 L N 0.098 121.311 121.223 -0.018 0.000 2.873 1058 L HA 0.400 4.736 4.340 -0.006 0.000 0.236 1058 L C 1.652 178.512 176.870 -0.016 0.000 1.375 1058 L CA 0.256 55.087 54.840 -0.013 0.000 1.239 1058 L CB -0.553 41.498 42.059 -0.014 0.000 1.603 1058 L HN 0.498 nan 8.230 nan 0.000 0.430 1059 K N -0.013 120.381 120.400 -0.010 0.000 2.440 1059 K HA 0.041 4.358 4.320 -0.006 0.000 0.270 1059 K C 1.428 178.026 176.600 -0.004 0.000 0.980 1059 K CA 0.636 56.920 56.287 -0.006 0.000 0.953 1059 K CB 0.363 32.865 32.500 0.004 0.000 0.925 1059 K HN 0.396 nan 8.250 nan 0.000 0.497 1060 S N 0.071 115.771 115.700 -0.001 0.000 2.399 1060 S HA -0.165 4.301 4.470 -0.006 0.000 0.231 1060 S C 1.959 176.568 174.600 0.014 0.000 1.022 1060 S CA 2.057 60.259 58.200 0.004 0.000 0.983 1060 S CB -0.560 62.649 63.200 0.015 0.000 0.803 1060 S HN 1.202 nan 8.310 nan 0.000 0.480 1061 S N 0.197 115.909 115.700 0.020 0.000 2.515 1061 S HA 0.292 4.758 4.470 -0.006 0.000 0.231 1061 S C 1.051 175.660 174.600 0.016 0.000 0.987 1061 S CA 0.247 58.460 58.200 0.022 0.000 0.936 1061 S CB -0.748 62.466 63.200 0.024 0.000 0.766 1061 S HN 0.714 nan 8.310 nan 0.000 0.528 1062 G N 0.619 109.425 108.800 0.011 0.000 2.705 1062 G HA2 0.538 4.495 3.960 -0.006 0.000 0.299 1062 G HA3 0.538 4.495 3.960 -0.006 0.000 0.299 1062 G C -0.853 174.052 174.900 0.009 0.000 1.315 1062 G CA -1.149 43.958 45.100 0.010 0.000 1.045 1062 G HN 0.258 nan 8.290 nan 0.000 0.517 1063 K N 0.580 120.987 120.400 0.012 0.000 2.202 1063 K HA 0.284 4.601 4.320 -0.006 0.000 0.264 1063 K C -2.177 174.432 176.600 0.014 0.000 1.010 1063 K CA -1.034 55.262 56.287 0.015 0.000 0.940 1063 K CB 0.889 33.400 32.500 0.018 0.000 0.983 1063 K HN 0.205 nan 8.250 nan 0.000 0.475 1064 P HA 0.135 nan 4.420 nan 0.000 0.277 1064 P C -1.109 176.213 177.300 0.036 0.000 1.276 1064 P CA -0.410 62.705 63.100 0.026 0.000 0.788 1064 P CB 0.564 32.287 31.700 0.038 0.000 1.114 1065 K N 0.484 120.912 120.400 0.047 0.000 2.561 1065 K HA 0.160 4.477 4.320 -0.006 0.000 0.254 1065 K C -0.876 175.761 176.600 0.061 0.000 0.942 1065 K CA -0.758 55.556 56.287 0.046 0.000 0.818 1065 K CB 1.194 33.713 32.500 0.031 0.000 1.306 1065 K HN 0.194 nan 8.250 nan 0.000 0.435 1066 K N 1.695 122.127 120.400 0.053 0.000 2.539 1066 K HA -0.096 4.221 4.320 -0.006 0.000 0.271 1066 K C 0.685 177.313 176.600 0.047 0.000 1.004 1066 K CA 0.556 56.872 56.287 0.047 0.000 1.117 1066 K CB 0.334 32.845 32.500 0.019 0.000 0.815 1066 K HN 0.645 nan 8.250 nan 0.000 0.481 1067 S N 2.282 118.012 115.700 0.051 0.000 2.382 1067 S HA -0.182 4.285 4.470 -0.006 0.000 0.228 1067 S C 1.760 176.325 174.600 -0.058 0.000 1.027 1067 S CA 1.336 59.556 58.200 0.034 0.000 0.991 1067 S CB -0.018 63.177 63.200 -0.008 0.000 0.823 1067 S HN 0.743 nan 8.310 nan 0.000 0.469 1068 A N 1.152 123.911 122.820 -0.101 0.000 2.178 1068 A HA -0.054 4.262 4.320 -0.006 0.000 0.218 1068 A C 1.980 179.548 177.584 -0.027 0.000 1.157 1068 A CA 1.400 53.381 52.037 -0.093 0.000 0.689 1068 A CB -0.377 18.571 19.000 -0.087 0.000 0.787 1068 A HN 0.444 nan 8.150 nan 0.000 0.465 1069 R N -1.105 119.393 120.500 -0.003 0.000 2.087 1069 R HA -0.016 4.321 4.340 -0.006 0.000 0.216 1069 R C 2.074 178.395 176.300 0.034 0.000 1.114 1069 R CA 1.613 57.724 56.100 0.017 0.000 1.002 1069 R CB -0.618 29.693 30.300 0.019 0.000 0.903 1069 R HN 0.343 nan 8.270 nan 0.000 0.445 1070 T N 0.532 115.112 114.554 0.043 0.000 2.597 1070 T HA -0.174 4.173 4.350 -0.006 0.000 0.267 1070 T C 1.781 176.531 174.700 0.082 0.000 1.053 1070 T CA 1.900 64.037 62.100 0.062 0.000 1.165 1070 T CB -0.382 68.530 68.868 0.074 0.000 0.863 1070 T HN 0.034 nan 8.240 nan 0.000 0.427 1071 V N 1.391 121.349 119.914 0.074 0.000 2.427 1071 V HA -0.080 4.037 4.120 -0.006 0.000 0.248 1071 V C 2.904 179.052 176.094 0.090 0.000 1.051 1071 V CA 1.812 64.169 62.300 0.094 0.000 1.048 1071 V CB -1.495 30.372 31.823 0.073 0.000 0.666 1071 V HN 0.640 nan 8.190 nan 0.000 0.456 1072 G N -0.286 108.548 108.800 0.056 0.000 2.469 1072 G HA2 -0.323 3.634 3.960 -0.006 0.000 0.219 1072 G HA3 -0.323 3.634 3.960 -0.006 0.000 0.219 1072 G C 1.266 176.209 174.900 0.072 0.000 1.150 1072 G CA 1.367 46.499 45.100 0.054 0.000 0.763 1072 G HN 0.500 nan 8.290 nan 0.000 0.561 1073 D N -0.416 120.031 120.400 0.079 0.000 2.162 1073 D HA -0.011 4.625 4.640 -0.006 0.000 0.203 1073 D C 2.818 179.206 176.300 0.148 0.000 0.967 1073 D CA 0.367 54.418 54.000 0.086 0.000 0.840 1073 D CB -0.186 40.663 40.800 0.082 0.000 0.972 1073 D HN 0.179 nan 8.370 nan 0.000 0.482 1074 V N 1.013 121.044 119.914 0.196 0.000 2.332 1074 V HA -0.216 3.900 4.120 -0.006 0.000 0.248 1074 V C 2.351 178.628 176.094 0.303 0.000 1.055 1074 V CA 1.312 63.788 62.300 0.293 0.000 1.038 1074 V CB -0.528 31.435 31.823 0.234 0.000 0.651 1074 V HN 0.245 nan 8.190 nan 0.000 0.450 1075 L N 0.189 121.546 121.223 0.225 0.000 2.418 1075 L HA 0.205 4.542 4.340 -0.006 0.000 0.218 1075 L C 2.540 179.521 176.870 0.185 0.000 1.125 1075 L CA 0.978 55.938 54.840 0.201 0.000 0.835 1075 L CB -1.101 41.042 42.059 0.140 0.000 0.953 1075 L HN 0.385 nan 8.230 nan 0.000 0.454 1076 G N 1.823 110.717 108.800 0.158 0.000 2.408 1076 G HA2 -0.208 3.748 3.960 -0.006 0.000 0.217 1076 G HA3 -0.208 3.748 3.960 -0.006 0.000 0.217 1076 G C 1.582 176.571 174.900 0.148 0.000 1.150 1076 G CA 0.980 46.158 45.100 0.130 0.000 0.776 1076 G HN 0.569 nan 8.290 nan 0.000 0.542 1077 K N -2.381 118.040 120.400 0.036 0.000 2.517 1077 K HA 0.356 4.672 4.320 -0.006 0.000 0.210 1077 K C 0.679 177.015 176.600 -0.441 0.000 1.166 1077 K CA -0.157 55.946 56.287 -0.306 0.000 1.030 1077 K CB 0.332 32.501 32.500 -0.551 0.000 0.974 1077 K HN 0.294 nan 8.250 nan 0.000 0.585 1078 Y N 0.008 120.550 120.300 0.404 0.000 2.912 1078 Y HA 0.256 4.802 4.550 -0.006 0.000 0.250 1078 Y C 0.053 176.261 175.900 0.514 0.000 1.073 1078 Y CA -0.255 58.082 58.100 0.395 0.000 1.275 1078 Y CB 0.468 39.100 38.460 0.288 0.000 1.470 1078 Y HN 0.138 nan 8.280 nan 0.000 0.447 1079 H N 2.834 122.161 119.070 0.428 0.000 2.786 1079 H HA 0.407 4.960 4.556 -0.006 0.000 0.284 1079 H C -2.908 172.414 175.328 -0.009 0.000 1.104 1079 H CA -2.781 53.410 56.048 0.238 0.000 1.339 1079 H CB 1.419 31.345 29.762 0.272 0.000 1.427 1079 H HN -0.159 nan 8.280 nan 0.000 0.497 1080 P HA 0.228 nan 4.420 nan 0.000 0.232 1080 P C -0.723 176.107 177.300 -0.783 0.000 1.814 1080 P CA 0.148 62.830 63.100 -0.697 0.000 1.085 1080 P CB 0.358 31.392 31.700 -1.110 0.000 1.901 1081 H N 0.106 119.097 119.070 -0.131 0.000 3.393 1081 H HA 0.458 5.010 4.556 -0.006 0.000 0.302 1081 H C 0.521 175.879 175.328 0.051 0.000 1.650 1081 H CA -0.630 55.376 56.048 -0.071 0.000 1.208 1081 H CB 0.522 30.200 29.762 -0.141 0.000 1.770 1081 H HN 0.188 nan 8.280 nan 0.000 0.662 1082 G N 0.733 109.692 108.800 0.264 0.000 2.380 1082 G HA2 0.030 3.987 3.960 -0.006 0.000 0.242 1082 G HA3 0.030 3.987 3.960 -0.006 0.000 0.242 1082 G C 0.807 175.829 174.900 0.204 0.000 1.298 1082 G CA 0.264 45.474 45.100 0.184 0.000 0.878 1082 G HN 0.674 nan 8.290 nan 0.000 0.542 1083 D N 1.117 121.614 120.400 0.161 0.000 2.162 1083 D HA -0.151 4.486 4.640 -0.006 0.000 0.205 1083 D C 2.105 178.525 176.300 0.199 0.000 0.964 1083 D CA 1.102 55.201 54.000 0.166 0.000 0.847 1083 D CB -0.245 40.624 40.800 0.115 0.000 0.988 1083 D HN 0.397 nan 8.370 nan 0.000 0.480 1084 S N 1.053 116.865 115.700 0.187 0.000 2.343 1084 S HA -0.134 4.332 4.470 -0.006 0.000 0.219 1084 S C 2.371 177.091 174.600 0.200 0.000 1.033 1084 S CA 2.023 60.359 58.200 0.228 0.000 1.014 1084 S CB -0.606 62.703 63.200 0.183 0.000 0.915 1084 S HN 0.411 nan 8.310 nan 0.000 0.435 1085 A N 0.830 123.746 122.820 0.160 0.000 1.896 1085 A HA -0.261 4.055 4.320 -0.006 0.000 0.220 1085 A C 2.755 180.414 177.584 0.125 0.000 1.206 1085 A CA 2.262 54.379 52.037 0.133 0.000 0.647 1085 A CB -1.866 17.215 19.000 0.135 0.000 0.828 1085 A HN 0.848 nan 8.150 nan 0.000 0.455 1086 C N -2.178 117.224 119.300 0.170 0.000 2.473 1086 C HA -0.131 4.326 4.460 -0.006 0.000 0.279 1086 C C 2.480 177.558 174.990 0.148 0.000 1.250 1086 C CA 1.484 60.590 59.018 0.145 0.000 1.713 1086 C CB -1.437 26.423 27.740 0.200 0.000 2.066 1086 C HN 0.723 nan 8.230 nan 0.000 0.474 1087 Y N 2.096 122.425 120.300 0.048 0.000 2.096 1087 Y HA -0.245 4.302 4.550 -0.006 0.000 0.278 1087 Y C 2.259 178.128 175.900 -0.051 0.000 1.192 1087 Y CA 2.562 60.670 58.100 0.014 0.000 1.143 1087 Y CB -1.034 37.437 38.460 0.019 0.000 0.963 1087 Y HN 0.555 nan 8.280 nan 0.000 0.505 1088 E N -0.426 119.634 120.200 -0.234 0.000 2.072 1088 E HA -0.135 4.212 4.350 -0.006 0.000 0.191 1088 E C 2.368 178.820 176.600 -0.246 0.000 0.985 1088 E CA 1.011 57.157 56.400 -0.423 0.000 0.801 1088 E CB -0.404 29.206 29.700 -0.151 0.000 0.750 1088 E HN 0.534 nan 8.360 nan 0.000 0.452 1089 A N 1.002 123.772 122.820 -0.083 0.000 2.076 1089 A HA -0.210 4.107 4.320 -0.006 0.000 0.220 1089 A C 2.060 179.614 177.584 -0.050 0.000 1.160 1089 A CA 1.455 53.472 52.037 -0.033 0.000 0.653 1089 A CB -0.517 18.483 19.000 -0.001 0.000 0.801 1089 A HN 0.337 nan 8.150 nan 0.000 0.455 1090 M N -1.076 118.491 119.600 -0.054 0.000 2.193 1090 M HA -0.027 4.449 4.480 -0.006 0.000 0.265 1090 M C 1.856 178.147 176.300 -0.015 0.000 1.071 1090 M CA 1.525 56.821 55.300 -0.006 0.000 1.140 1090 M CB -0.203 32.481 32.600 0.139 0.000 1.369 1090 M HN 0.095 nan 8.290 nan 0.000 0.423 1091 V N 1.508 121.352 119.914 -0.117 0.000 2.250 1091 V HA -0.314 3.803 4.120 -0.006 0.000 0.250 1091 V C 2.524 178.581 176.094 -0.061 0.000 1.060 1091 V CA 2.171 64.432 62.300 -0.066 0.000 1.030 1091 V CB -0.872 30.488 31.823 -0.771 0.000 0.643 1091 V HN 0.634 nan 8.190 nan 0.000 0.445 1092 L N -0.404 120.766 121.223 -0.089 0.000 1.997 1092 L HA -0.246 4.090 4.340 -0.006 0.000 0.216 1092 L C 2.256 179.114 176.870 -0.020 0.000 1.074 1092 L CA 2.297 57.154 54.840 0.027 0.000 0.763 1092 L CB -0.612 41.520 42.059 0.121 0.000 0.890 1092 L HN 0.304 nan 8.230 nan 0.000 0.434 1093 M N -1.358 118.084 119.600 -0.263 0.000 2.539 1093 M HA -0.110 4.367 4.480 -0.006 0.000 0.261 1093 M C 1.816 177.796 176.300 -0.533 0.000 1.069 1093 M CA 1.244 56.068 55.300 -0.793 0.000 1.081 1093 M CB -0.384 31.827 32.600 -0.649 0.000 1.412 1093 M HN 0.452 nan 8.290 nan 0.000 0.482 1094 A N -0.765 121.843 122.820 -0.354 0.000 2.220 1094 A HA 0.096 4.413 4.320 -0.006 0.000 0.211 1094 A C 0.800 178.163 177.584 -0.369 0.000 1.176 1094 A CA -0.040 51.738 52.037 -0.431 0.000 0.834 1094 A CB 0.095 18.674 19.000 -0.702 0.000 0.868 1094 A HN 0.403 nan 8.150 nan 0.000 0.488 1095 Q N 0.380 119.992 119.800 -0.313 0.000 2.314 1095 Q HA 0.184 4.520 4.340 -0.006 0.000 0.257 1095 Q C -1.872 173.823 176.000 -0.508 0.000 0.975 1095 Q CA -2.019 53.450 55.803 -0.556 0.000 0.933 1095 Q CB 1.035 29.330 28.738 -0.738 0.000 1.195 1095 Q HN 0.184 nan 8.270 nan 0.000 0.426 1096 P HA -0.171 nan 4.420 nan 0.000 0.220 1096 P C 0.423 177.658 177.300 -0.107 0.000 1.148 1096 P CA 1.196 64.172 63.100 -0.207 0.000 0.803 1096 P CB 0.079 31.726 31.700 -0.088 0.000 0.782 1097 F N -3.332 116.666 119.950 0.081 0.000 2.776 1097 F HA 0.386 4.909 4.527 -0.006 0.000 0.300 1097 F C 1.638 177.556 175.800 0.196 0.000 1.116 1097 F CA 0.168 58.235 58.000 0.111 0.000 1.375 1097 F CB -0.911 38.148 39.000 0.097 0.000 1.109 1097 F HN -0.245 nan 8.300 nan 0.000 0.585 1098 S N -2.138 113.656 115.700 0.157 0.000 2.670 1098 S HA 0.204 4.671 4.470 -0.006 0.000 0.241 1098 S C -0.466 174.231 174.600 0.162 0.000 1.077 1098 S CA -0.243 58.126 58.200 0.282 0.000 0.899 1098 S CB -0.010 63.316 63.200 0.210 0.000 0.835 1098 S HN 0.225 nan 8.310 nan 0.000 0.481 1099 Y N 2.343 122.612 120.300 -0.051 0.000 2.326 1099 Y HA 0.404 4.951 4.550 -0.006 0.000 0.337 1099 Y C 1.133 176.915 175.900 -0.197 0.000 1.023 1099 Y CA -0.719 57.323 58.100 -0.096 0.000 1.143 1099 Y CB 0.905 39.294 38.460 -0.117 0.000 1.183 1099 Y HN -0.051 nan 8.280 nan 0.000 0.485 1100 R N 2.550 122.909 120.500 -0.235 0.000 2.080 1100 R HA -0.130 4.206 4.340 -0.006 0.000 0.236 1100 R C -0.861 175.019 176.300 -0.701 0.000 1.137 1100 R CA 1.774 57.582 56.100 -0.487 0.000 0.943 1100 R CB -0.430 29.541 30.300 -0.550 0.000 0.846 1100 R HN 0.626 nan 8.270 nan 0.000 0.431 1101 Y N 0.416 120.590 120.300 -0.211 0.000 2.464 1101 Y HA 0.419 4.966 4.550 -0.006 0.000 0.326 1101 Y C -2.101 173.626 175.900 -0.288 0.000 0.969 1101 Y CA -3.446 54.386 58.100 -0.446 0.000 1.270 1101 Y CB 1.277 39.069 38.460 -1.115 0.000 1.103 1101 Y HN 0.048 nan 8.280 nan 0.000 0.491 1102 P HA -0.005 nan 4.420 nan 0.000 0.261 1102 P C 0.548 177.769 177.300 -0.132 0.000 1.173 1102 P CA 0.573 63.587 63.100 -0.143 0.000 0.760 1102 P CB 0.865 32.469 31.700 -0.160 0.000 0.783 1103 L N 2.678 123.752 121.223 -0.248 0.000 2.416 1103 L HA 0.171 4.508 4.340 -0.006 0.000 0.216 1103 L C 0.977 177.749 176.870 -0.164 0.000 1.098 1103 L CA 0.573 55.339 54.840 -0.123 0.000 0.840 1103 L CB -0.120 41.835 42.059 -0.174 0.000 0.981 1103 L HN 0.354 nan 8.230 nan 0.000 0.462 1104 I N -0.589 119.827 120.570 -0.256 0.000 2.693 1104 I HA 0.180 4.347 4.170 -0.006 0.000 0.303 1104 I C -0.043 175.898 176.117 -0.294 0.000 1.025 1104 I CA -0.450 60.697 61.300 -0.255 0.000 1.086 1104 I CB 2.509 40.330 38.000 -0.299 0.000 1.268 1104 I HN -0.069 nan 8.210 nan 0.000 0.440 1105 E N 3.751 123.787 120.200 -0.274 0.000 2.114 1105 E HA 0.507 4.854 4.350 -0.006 0.000 0.266 1105 E C -0.579 175.760 176.600 -0.434 0.000 0.896 1105 E CA -0.640 55.583 56.400 -0.295 0.000 0.750 1105 E CB 1.345 30.947 29.700 -0.164 0.000 1.121 1105 E HN 0.776 nan 8.360 nan 0.000 0.413 1106 G N 3.230 111.602 108.800 -0.713 0.000 2.338 1106 G HA2 0.233 4.189 3.960 -0.006 0.000 0.298 1106 G HA3 0.233 4.189 3.960 -0.006 0.000 0.298 1106 G C -0.744 173.827 174.900 -0.549 0.000 1.140 1106 G CA -0.444 43.907 45.100 -1.248 0.000 0.860 1106 G HN 0.454 nan 8.290 nan 0.000 0.470 1107 Q N 1.094 120.859 119.800 -0.059 0.000 2.325 1107 Q HA 0.613 4.950 4.340 -0.006 0.000 0.262 1107 Q C 0.461 176.739 176.000 0.464 0.000 0.968 1107 Q CA 0.727 56.639 55.803 0.183 0.000 0.877 1107 Q CB 1.244 30.056 28.738 0.124 0.000 1.253 1107 Q HN 1.470 nan 8.270 nan 0.000 0.448 1108 G N 3.346 112.374 108.800 0.379 0.000 2.428 1108 G HA2 -0.214 3.742 3.960 -0.006 0.000 0.202 1108 G HA3 -0.214 3.742 3.960 -0.006 0.000 0.202 1108 G C -0.987 174.150 174.900 0.396 0.000 1.247 1108 G CA -0.532 44.762 45.100 0.323 0.000 1.020 1108 G HN 0.761 nan 8.290 nan 0.000 0.529 1109 N N 0.546 119.356 118.700 0.184 0.000 2.420 1109 N HA 0.337 5.074 4.740 -0.006 0.000 0.262 1109 N C -0.214 175.303 175.510 0.012 0.000 1.144 1109 N CA -0.134 53.004 53.050 0.146 0.000 0.952 1109 N CB 0.197 38.723 38.487 0.065 0.000 1.081 1109 N HN 0.518 nan 8.380 nan 0.000 0.480 1110 W N 3.028 124.443 121.300 0.192 0.000 2.075 1110 W HA 0.428 5.085 4.660 -0.006 0.000 0.332 1110 W C 0.701 177.403 176.519 0.304 0.000 0.905 1110 W CA 0.000 57.468 57.345 0.205 0.000 2.126 1110 W CB 0.029 29.541 29.460 0.087 0.000 1.143 1110 W HN 0.822 nan 8.180 nan 0.000 0.542 1111 G N 1.209 110.278 108.800 0.449 0.000 2.690 1111 G HA2 0.072 4.029 3.960 -0.006 0.000 0.686 1111 G HA3 0.072 4.029 3.960 -0.006 0.000 0.686 1111 G C -0.140 175.022 174.900 0.436 0.000 1.277 1111 G CA -0.546 44.822 45.100 0.446 0.000 0.799 1111 G HN 0.343 nan 8.290 nan 0.000 0.613 1112 S N 1.088 116.882 115.700 0.158 0.000 2.638 1112 S HA 0.797 5.264 4.470 -0.006 0.000 0.298 1112 S C -1.479 172.731 174.600 -0.650 0.000 1.111 1112 S CA -1.044 57.117 58.200 -0.065 0.000 1.027 1112 S CB 2.687 65.864 63.200 -0.040 0.000 1.064 1112 S HN 0.427 nan 8.310 nan 0.000 0.525 1113 P HA -0.104 nan 4.420 nan 0.000 0.219 1113 P C 0.648 177.651 177.300 -0.495 0.000 1.146 1113 P CA 1.329 63.791 63.100 -1.064 0.000 0.808 1113 P CB 0.016 31.430 31.700 -0.476 0.000 0.779 1114 D N -1.689 118.536 120.400 -0.292 0.000 2.249 1114 D HA -0.086 4.551 4.640 -0.006 0.000 0.205 1114 D C 0.149 176.370 176.300 -0.132 0.000 0.962 1114 D CA 0.637 54.540 54.000 -0.161 0.000 0.860 1114 D CB -0.090 40.651 40.800 -0.098 0.000 0.955 1114 D HN -0.112 nan 8.370 nan 0.000 0.505 1115 D N -1.071 119.247 120.400 -0.137 0.000 2.405 1115 D HA 0.200 4.837 4.640 -0.006 0.000 0.264 1115 D C -2.120 174.158 176.300 -0.036 0.000 1.240 1115 D CA -2.037 51.918 54.000 -0.076 0.000 0.893 1115 D CB 1.430 42.201 40.800 -0.049 0.000 1.198 1115 D HN -0.073 nan 8.370 nan 0.000 0.514 1116 P HA -0.098 nan 4.420 nan 0.000 0.218 1116 P C 0.928 178.412 177.300 0.306 0.000 1.148 1116 P CA 0.902 64.110 63.100 0.181 0.000 0.822 1116 P CB 0.362 32.188 31.700 0.211 0.000 0.784 1117 K N -0.356 120.140 120.400 0.161 0.000 2.458 1117 K HA 0.125 4.441 4.320 -0.006 0.000 0.194 1117 K C 1.417 177.865 176.600 -0.253 0.000 1.024 1117 K CA 0.517 56.866 56.287 0.104 0.000 1.108 1117 K CB -0.592 31.927 32.500 0.032 0.000 0.846 1117 K HN 0.225 nan 8.250 nan 0.000 0.518 1118 S N 0.907 116.554 115.700 -0.088 0.000 2.607 1118 S HA -0.032 4.435 4.470 -0.006 0.000 0.224 1118 S C 0.717 175.204 174.600 -0.189 0.000 0.969 1118 S CA -0.626 57.480 58.200 -0.158 0.000 0.927 1118 S CB -1.203 61.972 63.200 -0.042 0.000 0.772 1118 S HN 0.277 nan 8.310 nan 0.000 0.533 1119 F N 1.616 121.568 119.950 0.003 0.000 2.602 1119 F HA 0.599 5.122 4.527 -0.006 0.000 0.367 1119 F C 0.728 176.464 175.800 -0.108 0.000 1.126 1119 F CA -1.177 56.785 58.000 -0.064 0.000 1.321 1119 F CB -0.268 38.657 39.000 -0.125 0.000 1.094 1119 F HN 0.175 nan 8.300 nan 0.000 0.594 1120 A N 2.528 125.376 122.820 0.045 0.000 2.492 1120 A HA 0.472 4.788 4.320 -0.006 0.000 0.236 1120 A C 0.557 178.219 177.584 0.131 0.000 1.078 1120 A CA -0.214 51.825 52.037 0.004 0.000 0.773 1120 A CB -0.608 18.357 19.000 -0.059 0.000 1.023 1120 A HN 1.452 nan 8.150 nan 0.000 0.504 1121 A N 1.381 124.251 122.820 0.084 0.000 2.406 1121 A HA 0.390 4.706 4.320 -0.006 0.000 0.243 1121 A C 1.299 178.908 177.584 0.042 0.000 1.082 1121 A CA 0.351 52.476 52.037 0.148 0.000 0.786 1121 A CB -0.112 18.922 19.000 0.058 0.000 1.029 1121 A HN 1.515 nan 8.150 nan 0.000 0.495 1122 M N 1.425 120.949 119.600 -0.127 0.000 2.476 1122 M HA -0.027 4.449 4.480 -0.006 0.000 0.262 1122 M C 1.351 177.468 176.300 -0.304 0.000 1.079 1122 M CA 0.895 55.815 55.300 -0.633 0.000 1.104 1122 M CB -0.253 31.545 32.600 -1.336 0.000 1.409 1122 M HN 0.797 nan 8.290 nan 0.000 0.467 1126 E N -0.055 120.330 120.200 0.308 0.000 2.312 1126 E HA 0.786 5.133 4.350 -0.006 0.000 0.267 1126 E C -0.879 175.907 176.600 0.310 0.000 0.894 1126 E CA -1.551 54.995 56.400 0.243 0.000 0.773 1126 E CB 2.513 32.300 29.700 0.146 0.000 1.241 1126 E HN 1.072 nan 8.360 nan 0.000 0.432 1127 A N 1.792 124.720 122.820 0.180 0.000 2.604 1127 A HA 0.571 4.887 4.320 -0.006 0.000 0.295 1127 A C -1.247 176.332 177.584 -0.008 0.000 1.067 1127 A CA -0.898 51.156 52.037 0.028 0.000 0.683 1127 A CB 1.580 20.528 19.000 -0.087 0.000 1.281 1127 A HN 0.631 nan 8.150 nan 0.000 0.407 1128 K N 0.958 121.321 120.400 -0.062 0.000 2.279 1128 K HA 0.842 5.159 4.320 -0.006 0.000 0.238 1128 K C -1.138 175.413 176.600 -0.082 0.000 1.084 1128 K CA -0.832 55.425 56.287 -0.049 0.000 0.885 1128 K CB 0.977 33.459 32.500 -0.030 0.000 1.319 1128 K HN 0.518 nan 8.250 nan 0.000 0.494 1129 L N 1.655 122.840 121.223 -0.062 0.000 2.397 1129 L HA 0.125 4.462 4.340 -0.006 0.000 0.271 1129 L C 0.570 177.399 176.870 -0.067 0.000 1.148 1129 L CA -0.313 54.484 54.840 -0.072 0.000 0.825 1129 L CB 1.509 43.534 42.059 -0.057 0.000 1.117 1129 L HN 0.753 nan 8.230 nan 0.000 0.456 1130 S N 1.976 117.631 115.700 -0.076 0.000 2.558 1130 S HA 0.050 4.516 4.470 -0.006 0.000 0.291 1130 S C 1.244 175.833 174.600 -0.019 0.000 1.306 1130 S CA 0.135 58.311 58.200 -0.041 0.000 1.056 1130 S CB 1.019 64.214 63.200 -0.008 0.000 0.836 1130 S HN 0.713 nan 8.310 nan 0.000 0.504 1131 A N 5.233 128.064 122.820 0.019 0.000 1.865 1131 A HA -0.120 4.197 4.320 -0.006 0.000 0.217 1131 A C 1.862 179.383 177.584 -0.105 0.000 1.191 1131 A CA 2.142 54.205 52.037 0.043 0.000 0.623 1131 A CB -1.567 17.522 19.000 0.148 0.000 0.826 1131 A HN 1.145 nan 8.150 nan 0.000 0.444 1132 Y N 1.517 121.646 120.300 -0.286 0.000 2.096 1132 Y HA -0.344 4.203 4.550 -0.006 0.000 0.276 1132 Y C 2.604 178.185 175.900 -0.531 0.000 1.209 1132 Y CA 2.064 59.809 58.100 -0.592 0.000 1.137 1132 Y CB -0.728 37.573 38.460 -0.265 0.000 0.956 1132 Y HN 0.290 nan 8.280 nan 0.000 0.506 1133 S N 0.190 115.745 115.700 -0.242 0.000 2.461 1133 S HA -0.267 4.200 4.470 -0.006 0.000 0.246 1133 S C 1.549 175.954 174.600 -0.325 0.000 1.007 1133 S CA 1.460 59.506 58.200 -0.257 0.000 0.976 1133 S CB -0.447 62.690 63.200 -0.105 0.000 0.763 1133 S HN 0.653 nan 8.310 nan 0.000 0.508 1134 E N 0.965 120.952 120.200 -0.355 0.000 2.204 1134 E HA -0.076 4.270 4.350 -0.006 0.000 0.195 1134 E C 1.670 178.115 176.600 -0.258 0.000 0.990 1134 E CA 0.705 56.969 56.400 -0.227 0.000 0.821 1134 E CB -0.273 29.355 29.700 -0.120 0.000 0.750 1134 E HN 0.486 nan 8.360 nan 0.000 0.477 1135 L N 0.379 121.314 121.223 -0.481 0.000 2.353 1135 L HA -0.154 4.183 4.340 -0.006 0.000 0.220 1135 L C 1.965 178.695 176.870 -0.233 0.000 1.133 1135 L CA 0.772 55.389 54.840 -0.372 0.000 0.798 1135 L CB -0.202 41.494 42.059 -0.605 0.000 0.922 1135 L HN 0.230 nan 8.230 nan 0.000 0.445 1136 L N -1.595 119.487 121.223 -0.235 0.000 2.515 1136 L HA 0.042 4.378 4.340 -0.006 0.000 0.223 1136 L C 1.890 178.703 176.870 -0.095 0.000 1.079 1136 L CA 0.192 54.951 54.840 -0.135 0.000 0.857 1136 L CB 0.338 42.324 42.059 -0.122 0.000 1.050 1136 L HN 0.224 nan 8.230 nan 0.000 0.476 1137 L N -1.447 119.722 121.223 -0.089 0.000 2.717 1137 L HA 0.057 4.393 4.340 -0.006 0.000 0.239 1137 L C 2.536 179.396 176.870 -0.016 0.000 1.086 1137 L CA 0.509 55.325 54.840 -0.040 0.000 0.897 1137 L CB 0.354 42.395 42.059 -0.030 0.000 1.214 1137 L HN 0.218 nan 8.230 nan 0.000 0.508 1138 S N -0.059 115.626 115.700 -0.026 0.000 2.383 1138 S HA -0.207 4.260 4.470 -0.006 0.000 0.229 1138 S C 1.235 175.839 174.600 0.007 0.000 1.030 1138 S CA 1.150 59.351 58.200 0.001 0.000 1.002 1138 S CB -0.322 62.885 63.200 0.012 0.000 0.829 1138 S HN 0.472 nan 8.310 nan 0.000 0.467 1139 E N 0.486 120.679 120.200 -0.011 0.000 2.368 1139 E HA 0.234 4.581 4.350 -0.006 0.000 0.188 1139 E C 1.085 177.653 176.600 -0.053 0.000 1.061 1139 E CA -0.232 56.151 56.400 -0.029 0.000 0.933 1139 E CB 0.103 29.782 29.700 -0.035 0.000 1.091 1139 E HN 0.360 nan 8.360 nan 0.000 0.458 1140 L N 0.104 121.321 121.223 -0.010 0.000 2.127 1140 L HA 0.141 4.478 4.340 -0.006 0.000 0.203 1140 L C 2.082 178.982 176.870 0.049 0.000 1.080 1140 L CA 1.598 56.466 54.840 0.047 0.000 0.768 1140 L CB -0.558 41.570 42.059 0.115 0.000 0.924 1140 L HN 0.145 nan 8.230 nan 0.000 0.444 1141 G N -0.879 107.917 108.800 -0.007 0.000 2.625 1141 G HA2 -0.160 3.797 3.960 -0.006 0.000 0.214 1141 G HA3 -0.160 3.797 3.960 -0.006 0.000 0.214 1141 G C 0.699 175.394 174.900 -0.342 0.000 1.132 1141 G CA 0.248 45.299 45.100 -0.082 0.000 0.782 1141 G HN 0.602 nan 8.290 nan 0.000 0.538 1142 Q N 0.078 119.562 119.800 -0.528 0.000 2.465 1142 Q HA 0.410 4.746 4.340 -0.006 0.000 0.361 1142 Q C 1.031 176.327 176.000 -1.173 0.000 0.957 1142 Q CA -0.191 54.824 55.803 -1.315 0.000 1.065 1142 Q CB 0.493 28.745 28.738 -0.809 0.000 1.274 1142 Q HN 0.210 nan 8.270 nan 0.000 0.421 1143 G N 1.603 109.972 108.800 -0.717 0.000 2.321 1143 G HA2 -0.373 3.583 3.960 -0.006 0.000 0.287 1143 G HA3 -0.373 3.583 3.960 -0.006 0.000 0.287 1143 G C 0.782 175.608 174.900 -0.124 0.000 1.018 1143 G CA 1.104 46.045 45.100 -0.265 0.000 0.855 1143 G HN 0.579 nan 8.290 nan 0.000 0.507 1144 T N -3.771 110.719 114.554 -0.107 0.000 3.010 1144 T HA 0.432 4.778 4.350 -0.006 0.000 0.252 1144 T C 1.297 175.971 174.700 -0.043 0.000 1.047 1144 T CA 1.145 63.200 62.100 -0.076 0.000 1.140 1144 T CB 0.426 69.236 68.868 -0.096 0.000 0.885 1144 T HN 0.391 nan 8.240 nan 0.000 0.464 1145 S N 1.152 116.864 115.700 0.020 0.000 2.638 1145 S HA 0.517 4.983 4.470 -0.006 0.000 0.298 1145 S C -0.373 174.252 174.600 0.042 0.000 1.111 1145 S CA -0.855 57.306 58.200 -0.064 0.000 1.027 1145 S CB 1.509 64.558 63.200 -0.253 0.000 1.064 1145 S HN 0.283 nan 8.310 nan 0.000 0.525 1146 E N 0.454 120.605 120.200 -0.082 0.000 2.390 1146 E HA 0.235 4.582 4.350 -0.006 0.000 0.261 1146 E C -1.196 175.355 176.600 -0.082 0.000 1.076 1146 E CA 0.114 56.518 56.400 0.007 0.000 0.905 1146 E CB 0.456 30.115 29.700 -0.067 0.000 0.984 1146 E HN 0.492 nan 8.360 nan 0.000 0.427 1147 W N 0.757 121.999 121.300 -0.096 0.000 2.819 1147 W HA 0.301 4.958 4.660 -0.006 0.000 0.337 1147 W C -0.095 176.387 176.519 -0.062 0.000 1.077 1147 W CA -0.612 56.676 57.345 -0.096 0.000 1.226 1147 W CB 1.134 30.543 29.460 -0.084 0.000 1.419 1147 W HN 0.316 nan 8.180 nan 0.000 0.502 1148 Q N 0.543 120.415 119.800 0.118 0.000 2.423 1148 Q HA 0.493 4.830 4.340 -0.006 0.000 0.278 1148 Q C -1.065 175.003 176.000 0.113 0.000 1.097 1148 Q CA -1.070 54.784 55.803 0.084 0.000 0.809 1148 Q CB 2.246 30.998 28.738 0.024 0.000 1.391 1148 Q HN 0.223 nan 8.270 nan 0.000 0.428 1149 D N 2.789 123.243 120.400 0.091 0.000 2.487 1149 D HA -0.029 4.607 4.640 -0.006 0.000 0.243 1149 D C 0.128 176.479 176.300 0.085 0.000 1.154 1149 D CA 0.492 54.539 54.000 0.078 0.000 0.876 1149 D CB 0.565 41.397 40.800 0.053 0.000 1.161 1149 D HN 0.608 nan 8.370 nan 0.000 0.478 1150 N N 1.915 120.653 118.700 0.063 0.000 2.255 1150 N HA -0.088 4.649 4.740 -0.006 0.000 0.253 1150 N C 0.959 176.443 175.510 -0.044 0.000 1.313 1150 N CA -0.185 52.879 53.050 0.023 0.000 0.912 1150 N CB -0.001 38.416 38.487 -0.115 0.000 1.145 1150 N HN 0.439 nan 8.380 nan 0.000 0.511 1151 F N -2.546 117.458 119.950 0.088 0.000 2.699 1151 F HA 0.213 4.736 4.527 -0.005 0.000 0.298 1151 F C 0.181 176.023 175.800 0.069 0.000 1.154 1151 F CA 0.123 58.168 58.000 0.074 0.000 1.457 1151 F CB -0.381 38.646 39.000 0.046 0.000 1.106 1151 F HN 0.424 nan 8.300 nan 0.000 0.585 1152 D N -1.234 119.030 120.400 -0.226 0.000 2.673 1152 D HA 0.173 4.810 4.640 -0.006 0.000 0.278 1152 D C 1.279 177.530 176.300 -0.081 0.000 1.393 1152 D CA -0.304 53.658 54.000 -0.063 0.000 0.805 1152 D CB -0.318 40.441 40.800 -0.070 0.000 1.110 1152 D HN 0.248 nan 8.370 nan 0.000 0.476 1153 G N 1.074 109.833 108.800 -0.068 0.000 2.441 1153 G HA2 -0.302 3.655 3.960 -0.006 0.000 0.298 1153 G HA3 -0.302 3.655 3.960 -0.006 0.000 0.298 1153 G C 0.797 175.661 174.900 -0.060 0.000 0.949 1153 G CA 1.033 46.107 45.100 -0.044 0.000 1.072 1153 G HN 0.851 nan 8.290 nan 0.000 0.512 1154 S N -1.864 113.774 115.700 -0.103 0.000 2.666 1154 S HA 0.659 5.125 4.470 -0.006 0.000 0.239 1154 S C 0.486 175.040 174.600 -0.077 0.000 1.031 1154 S CA 0.041 58.189 58.200 -0.087 0.000 1.015 1154 S CB 0.556 63.694 63.200 -0.104 0.000 0.981 1154 S HN 0.576 nan 8.310 nan 0.000 0.547 1155 L N 0.165 121.348 121.223 -0.066 0.000 2.630 1155 L HA 0.638 4.975 4.340 -0.006 0.000 0.258 1155 L C -1.048 175.887 176.870 0.108 0.000 1.072 1155 L CA -1.067 53.784 54.840 0.019 0.000 0.885 1155 L CB 1.687 43.742 42.059 -0.007 0.000 1.502 1155 L HN -0.128 nan 8.230 nan 0.000 0.406 1156 K N 1.195 121.738 120.400 0.238 0.000 2.208 1156 K HA 0.581 4.898 4.320 -0.006 0.000 0.247 1156 K C -1.200 175.708 176.600 0.514 0.000 0.953 1156 K CA -0.608 55.884 56.287 0.342 0.000 0.837 1156 K CB 2.517 35.224 32.500 0.345 0.000 1.131 1156 K HN 0.681 nan 8.250 nan 0.000 0.431 1157 E N 0.475 120.861 120.200 0.311 0.000 2.340 1157 E HA 0.447 4.794 4.350 -0.006 0.000 0.273 1157 E C -2.877 173.341 176.600 -0.636 0.000 0.891 1157 E CA -2.521 53.801 56.400 -0.130 0.000 0.757 1157 E CB 1.712 31.367 29.700 -0.075 0.000 1.231 1157 E HN 0.054 nan 8.360 nan 0.000 0.439 1158 P HA 0.085 nan 4.420 nan 0.000 0.271 1158 P C 0.269 177.093 177.300 -0.792 0.000 1.220 1158 P CA -0.037 62.113 63.100 -1.582 0.000 0.768 1158 P CB 0.620 31.398 31.700 -1.537 0.000 0.848 1159 I N 0.909 121.128 120.570 -0.584 0.000 2.353 1159 I HA -0.092 4.074 4.170 -0.006 0.000 0.248 1159 I C 1.272 177.159 176.117 -0.383 0.000 1.119 1159 I CA 1.611 62.691 61.300 -0.367 0.000 1.417 1159 I CB -0.201 37.646 38.000 -0.255 0.000 1.078 1159 I HN 0.461 nan 8.210 nan 0.000 0.421 1160 T N -2.076 112.219 114.554 -0.432 0.000 2.838 1160 T HA 0.593 4.939 4.350 -0.006 0.000 0.292 1160 T C -0.643 173.838 174.700 -0.365 0.000 1.113 1160 T CA -0.781 61.084 62.100 -0.391 0.000 1.008 1160 T CB 2.031 70.639 68.868 -0.433 0.000 1.259 1160 T HN -0.098 nan 8.240 nan 0.000 0.520 1161 L N 0.678 121.743 121.223 -0.264 0.000 2.352 1161 L HA 0.515 4.851 4.340 -0.006 0.000 0.269 1161 L C -2.290 174.486 176.870 -0.157 0.000 1.034 1161 L CA -2.784 51.929 54.840 -0.212 0.000 0.806 1161 L CB 1.923 43.891 42.059 -0.151 0.000 1.244 1161 L HN 0.499 nan 8.230 nan 0.000 0.447 1162 P HA 0.108 nan 4.420 nan 0.000 0.230 1162 P C -0.577 176.686 177.300 -0.062 0.000 1.791 1162 P CA -0.255 62.783 63.100 -0.103 0.000 1.020 1162 P CB 0.212 31.859 31.700 -0.087 0.000 1.977 1163 A N 2.036 124.841 122.820 -0.026 0.000 2.548 1163 A HA -0.018 4.298 4.320 -0.006 0.000 0.247 1163 A C 1.602 179.261 177.584 0.124 0.000 1.067 1163 A CA 0.213 52.286 52.037 0.060 0.000 0.757 1163 A CB -0.036 19.081 19.000 0.194 0.000 0.996 1163 A HN 0.303 nan 8.150 nan 0.000 0.504 1164 R N 1.124 121.674 120.500 0.082 0.000 2.119 1164 R HA 0.031 4.368 4.340 -0.006 0.000 0.222 1164 R C 0.754 177.233 176.300 0.299 0.000 1.088 1164 R CA 1.541 57.719 56.100 0.130 0.000 0.984 1164 R CB -0.135 30.195 30.300 0.051 0.000 0.884 1164 R HN 0.815 nan 8.270 nan 0.000 0.447 1165 V N -2.459 117.584 119.914 0.215 0.000 3.158 1165 V HA 0.516 4.633 4.120 -0.006 0.000 0.315 1165 V C -2.676 173.365 176.094 -0.088 0.000 1.148 1165 V CA -2.655 59.660 62.300 0.025 0.000 1.042 1165 V CB 1.963 33.722 31.823 -0.106 0.000 1.101 1165 V HN -0.123 nan 8.190 nan 0.000 0.448 1166 P HA 0.295 nan 4.420 nan 0.000 0.238 1166 P C 0.396 177.535 177.300 -0.269 0.000 1.794 1166 P CA 0.074 62.658 63.100 -0.860 0.000 1.088 1166 P CB -0.256 30.654 31.700 -1.317 0.000 1.923 1167 N N 1.891 120.577 118.700 -0.024 0.000 2.104 1167 N HA -0.195 4.542 4.740 -0.006 0.000 0.190 1167 N C 1.575 177.127 175.510 0.070 0.000 1.024 1167 N CA 0.742 53.842 53.050 0.083 0.000 0.853 1167 N CB -0.126 38.449 38.487 0.146 0.000 1.008 1167 N HN 0.152 nan 8.380 nan 0.000 0.424 1168 I N 1.258 121.859 120.570 0.051 0.000 2.229 1168 I HA -0.260 3.907 4.170 -0.006 0.000 0.250 1168 I C 1.759 177.884 176.117 0.014 0.000 1.096 1168 I CA 1.421 62.748 61.300 0.045 0.000 1.358 1168 I CB 0.014 38.046 38.000 0.052 0.000 1.047 1168 I HN 0.247 nan 8.210 nan 0.000 0.422 1169 L N -1.207 119.987 121.223 -0.049 0.000 2.590 1169 L HA 0.097 4.433 4.340 -0.006 0.000 0.227 1169 L C 1.939 178.858 176.870 0.081 0.000 1.099 1169 L CA 0.025 54.827 54.840 -0.065 0.000 0.872 1169 L CB 0.028 41.915 42.059 -0.288 0.000 1.088 1169 L HN 0.267 nan 8.230 nan 0.000 0.479 1170 L N -0.904 120.364 121.223 0.073 0.000 2.130 1170 L HA -0.002 4.334 4.340 -0.006 0.000 0.200 1170 L C 2.093 179.077 176.870 0.192 0.000 1.075 1170 L CA 0.778 55.727 54.840 0.182 0.000 0.768 1170 L CB -0.360 41.787 42.059 0.148 0.000 0.933 1170 L HN 0.222 nan 8.230 nan 0.000 0.451 1171 N N -0.371 118.413 118.700 0.139 0.000 2.278 1171 N HA 0.078 4.814 4.740 -0.006 0.000 0.181 1171 N C 0.818 176.243 175.510 -0.142 0.000 1.023 1171 N CA 1.151 54.205 53.050 0.007 0.000 0.862 1171 N CB 0.320 38.891 38.487 0.141 0.000 1.003 1171 N HN 0.313 nan 8.380 nan 0.000 0.431 1172 G N -0.252 108.522 108.800 -0.043 0.000 2.730 1172 G HA2 -0.155 3.802 3.960 -0.006 0.000 0.686 1172 G HA3 -0.155 3.802 3.960 -0.006 0.000 0.686 1172 G C -0.615 174.240 174.900 -0.075 0.000 1.343 1172 G CA -0.032 45.045 45.100 -0.037 0.000 0.826 1172 G HN 0.386 nan 8.290 nan 0.000 0.582 1173 T N -1.254 113.290 114.554 -0.017 0.000 2.900 1173 T HA 0.779 5.125 4.350 -0.006 0.000 0.303 1173 T C -0.596 174.115 174.700 0.017 0.000 1.142 1173 T CA 0.680 62.779 62.100 -0.002 0.000 1.007 1173 T CB 2.202 71.085 68.868 0.026 0.000 1.156 1173 T HN 1.779 nan 8.240 nan 0.000 0.490 1174 T N 1.838 116.407 114.554 0.024 0.000 3.031 1174 T HA 0.738 5.085 4.350 -0.006 0.000 0.305 1174 T C -0.394 174.325 174.700 0.033 0.000 0.985 1174 T CA 0.158 62.279 62.100 0.035 0.000 1.008 1174 T CB 0.411 69.305 68.868 0.044 0.000 1.005 1174 T HN 1.122 nan 8.240 nan 0.000 0.444 1175 G N 3.190 112.006 108.800 0.028 0.000 2.649 1175 G HA2 0.708 4.665 3.960 -0.006 0.000 0.290 1175 G HA3 0.708 4.665 3.960 -0.006 0.000 0.290 1175 G C -1.871 173.040 174.900 0.020 0.000 1.426 1175 G CA -0.738 44.376 45.100 0.024 0.000 0.794 1175 G HN 0.817 nan 8.290 nan 0.000 0.483 1176 I N 0.545 121.125 120.570 0.018 0.000 2.512 1176 I HA 0.603 4.769 4.170 -0.006 0.000 0.287 1176 I C 0.715 176.834 176.117 0.003 0.000 1.069 1176 I CA -0.786 60.525 61.300 0.019 0.000 1.056 1176 I CB 1.796 39.817 38.000 0.035 0.000 1.229 1176 I HN 0.731 nan 8.210 nan 0.000 0.429 1177 A N 5.477 128.291 122.820 -0.011 0.000 3.669 1177 A HA 0.822 5.139 4.320 -0.006 0.000 0.190 1177 A C 0.006 177.568 177.584 -0.036 0.000 1.964 1177 A CA -0.097 51.909 52.037 -0.051 0.000 1.580 1177 A CB 0.483 19.441 19.000 -0.070 0.000 1.200 1177 A HN 0.409 nan 8.150 nan 0.000 0.359 1178 V N -1.407 118.488 119.914 -0.032 0.000 2.697 1178 V HA 0.552 4.668 4.120 -0.006 0.000 0.300 1178 V C 0.679 176.813 176.094 0.068 0.000 1.115 1178 V CA 0.244 62.562 62.300 0.029 0.000 0.912 1178 V CB 0.823 32.623 31.823 -0.040 0.000 1.024 1178 V HN 1.957 nan 8.190 nan 0.000 0.431 1179 G N 4.616 113.485 108.800 0.115 0.000 2.212 1179 G HA2 -0.238 3.719 3.960 -0.006 0.000 0.266 1179 G HA3 -0.238 3.719 3.960 -0.006 0.000 0.266 1179 G C -0.027 174.916 174.900 0.072 0.000 0.978 1179 G CA 1.055 46.227 45.100 0.120 0.000 0.632 1179 G HN 1.396 nan 8.290 nan 0.000 0.537 1180 M N -2.655 116.972 119.600 0.046 0.000 2.790 1180 M HA 0.771 5.247 4.480 -0.006 0.000 0.272 1180 M C -0.654 175.657 176.300 0.018 0.000 1.168 1180 M CA -0.373 54.944 55.300 0.028 0.000 0.829 1180 M CB 1.176 33.784 32.600 0.013 0.000 1.675 1180 M HN 1.447 nan 8.290 nan 0.000 0.505 1181 A N 0.367 123.197 122.820 0.016 0.000 2.681 1181 A HA 1.009 5.325 4.320 -0.006 0.000 0.278 1181 A C -0.912 176.678 177.584 0.010 0.000 1.272 1181 A CA -0.204 51.840 52.037 0.013 0.000 0.750 1181 A CB 1.576 20.589 19.000 0.021 0.000 1.351 1181 A HN 1.140 nan 8.150 nan 0.000 0.514 1182 T N 0.401 114.964 114.554 0.015 0.000 3.578 1182 T HA 0.513 4.859 4.350 -0.006 0.000 0.343 1182 T C -2.529 172.188 174.700 0.029 0.000 1.126 1182 T CA -0.564 61.547 62.100 0.018 0.000 1.092 1182 T CB 0.915 69.788 68.868 0.009 0.000 1.160 1182 T HN 0.510 nan 8.240 nan 0.000 0.469 1183 D N 4.384 124.807 120.400 0.039 0.000 2.593 1183 D HA 0.538 5.175 4.640 -0.006 0.000 0.251 1183 D C -0.590 175.752 176.300 0.069 0.000 1.140 1183 D CA -0.232 53.801 54.000 0.054 0.000 0.855 1183 D CB 1.959 42.794 40.800 0.058 0.000 1.267 1183 D HN 0.584 nan 8.370 nan 0.000 0.532 1184 I N 3.176 123.789 120.570 0.072 0.000 2.529 1184 I HA 0.193 4.359 4.170 -0.006 0.000 0.284 1184 I C -2.587 173.578 176.117 0.079 0.000 1.088 1184 I CA -1.884 59.467 61.300 0.085 0.000 1.062 1184 I CB 2.808 40.848 38.000 0.066 0.000 1.218 1184 I HN -0.079 nan 8.210 nan 0.000 0.442 1185 P HA 0.297 nan 4.420 nan 0.000 0.275 1185 P C -2.549 174.662 177.300 -0.149 0.000 1.228 1185 P CA -1.439 61.642 63.100 -0.032 0.000 0.786 1185 P CB -0.031 31.635 31.700 -0.057 0.000 0.927 1186 P HA 0.190 nan 4.420 nan 0.000 0.271 1186 P C -0.741 176.319 177.300 -0.399 0.000 1.233 1186 P CA 0.364 63.329 63.100 -0.225 0.000 0.789 1186 P CB 0.370 31.859 31.700 -0.351 0.000 0.951 1187 H N -1.626 117.393 119.070 -0.084 0.000 2.949 1187 H HA 0.313 4.866 4.556 -0.006 0.000 0.356 1187 H C -0.017 175.326 175.328 0.026 0.000 1.212 1187 H CA -0.779 55.231 56.048 -0.062 0.000 1.136 1187 H CB 0.892 30.621 29.762 -0.055 0.000 1.869 1187 H HN 0.292 nan 8.280 nan 0.000 0.556 1188 N N 1.430 120.213 118.700 0.139 0.000 2.513 1188 N HA -0.054 4.683 4.740 -0.006 0.000 0.268 1188 N C 0.857 176.467 175.510 0.168 0.000 1.180 1188 N CA 0.023 53.167 53.050 0.157 0.000 0.948 1188 N CB 0.938 39.471 38.487 0.077 0.000 1.083 1188 N HN 0.506 nan 8.380 nan 0.000 0.455 1189 L N 5.853 127.199 121.223 0.205 0.000 1.976 1189 L HA -0.112 4.225 4.340 -0.006 0.000 0.209 1189 L C 2.406 179.278 176.870 0.002 0.000 1.071 1189 L CA 1.678 56.520 54.840 0.003 0.000 0.746 1189 L CB -0.325 41.640 42.059 -0.156 0.000 0.890 1189 L HN 0.601 nan 8.230 nan 0.000 0.432 1190 R N -0.415 120.107 120.500 0.038 0.000 2.091 1190 R HA -0.185 4.152 4.340 -0.006 0.000 0.238 1190 R C 2.170 178.483 176.300 0.023 0.000 1.136 1190 R CA 1.907 58.022 56.100 0.025 0.000 0.959 1190 R CB -0.473 29.850 30.300 0.040 0.000 0.856 1190 R HN 0.548 nan 8.270 nan 0.000 0.437 1191 E N -0.046 120.179 120.200 0.042 0.000 2.110 1191 E HA -0.161 4.185 4.350 -0.006 0.000 0.193 1191 E C 1.944 178.554 176.600 0.017 0.000 0.988 1191 E CA 1.395 57.830 56.400 0.057 0.000 0.804 1191 E CB 0.081 29.821 29.700 0.065 0.000 0.745 1191 E HN 0.149 nan 8.360 nan 0.000 0.458 1192 V N 0.523 120.420 119.914 -0.029 0.000 2.535 1192 V HA -0.151 3.966 4.120 -0.006 0.000 0.246 1192 V C 2.264 178.266 176.094 -0.153 0.000 1.045 1192 V CA 0.803 63.038 62.300 -0.108 0.000 1.058 1192 V CB 0.009 31.745 31.823 -0.145 0.000 0.689 1192 V HN 0.103 nan 8.190 nan 0.000 0.461 1193 V N -0.095 119.745 119.914 -0.122 0.000 2.287 1193 V HA -0.252 3.864 4.120 -0.006 0.000 0.248 1193 V C 2.645 178.667 176.094 -0.121 0.000 1.053 1193 V CA 1.777 64.006 62.300 -0.118 0.000 1.027 1193 V CB -0.734 31.047 31.823 -0.070 0.000 0.646 1193 V HN 0.452 nan 8.190 nan 0.000 0.447 1194 K N 0.594 120.935 120.400 -0.098 0.000 2.020 1194 K HA -0.189 4.127 4.320 -0.006 0.000 0.212 1194 K C 2.269 178.639 176.600 -0.384 0.000 1.050 1194 K CA 1.880 58.076 56.287 -0.151 0.000 0.929 1194 K CB -1.218 31.289 32.500 0.011 0.000 0.714 1194 K HN 0.558 nan 8.250 nan 0.000 0.443 1195 G N 0.703 109.309 108.800 -0.322 0.000 2.479 1195 G HA2 -0.246 3.711 3.960 -0.006 0.000 0.220 1195 G HA3 -0.246 3.711 3.960 -0.006 0.000 0.220 1195 G C 1.488 176.204 174.900 -0.308 0.000 1.115 1195 G CA 1.746 46.615 45.100 -0.384 0.000 0.757 1195 G HN 0.459 nan 8.290 nan 0.000 0.560 1196 T N -0.333 114.083 114.554 -0.230 0.000 3.021 1196 T HA 0.174 4.521 4.350 -0.006 0.000 0.245 1196 T C 2.373 177.002 174.700 -0.118 0.000 1.028 1196 T CA 0.243 62.257 62.100 -0.144 0.000 1.139 1196 T CB -0.144 68.655 68.868 -0.115 0.000 0.884 1196 T HN 0.200 nan 8.240 nan 0.000 0.457 1197 I N 2.465 122.956 120.570 -0.132 0.000 2.185 1197 I HA -0.267 3.900 4.170 -0.006 0.000 0.246 1197 I C 3.090 179.134 176.117 -0.122 0.000 1.088 1197 I CA 1.362 62.605 61.300 -0.096 0.000 1.347 1197 I CB -0.772 37.171 38.000 -0.094 0.000 1.041 1197 I HN 0.319 nan 8.210 nan 0.000 0.415 1198 A N 1.253 123.932 122.820 -0.234 0.000 1.849 1198 A HA -0.268 4.049 4.320 -0.006 0.000 0.216 1198 A C 2.121 179.636 177.584 -0.114 0.000 1.225 1198 A CA 1.955 53.854 52.037 -0.229 0.000 0.653 1198 A CB -1.204 17.517 19.000 -0.465 0.000 0.844 1198 A HN 0.306 nan 8.150 nan 0.000 0.453 1199 L N -0.431 120.727 121.223 -0.108 0.000 2.151 1199 L HA -0.243 4.093 4.340 -0.006 0.000 0.215 1199 L C 2.395 179.255 176.870 -0.017 0.000 1.084 1199 L CA 1.805 56.618 54.840 -0.044 0.000 0.764 1199 L CB -0.765 41.275 42.059 -0.032 0.000 0.891 1199 L HN 0.471 nan 8.230 nan 0.000 0.435 1200 I N -1.255 119.307 120.570 -0.014 0.000 2.208 1200 I HA -0.341 3.825 4.170 -0.006 0.000 0.245 1200 I C 2.545 178.660 176.117 -0.003 0.000 1.097 1200 I CA 1.455 62.757 61.300 0.004 0.000 1.363 1200 I CB -0.215 37.791 38.000 0.010 0.000 1.051 1200 I HN 0.206 nan 8.210 nan 0.000 0.413 1201 R N -0.341 120.151 120.500 -0.012 0.000 2.075 1201 R HA 0.048 4.384 4.340 -0.006 0.000 0.220 1201 R C 0.820 177.118 176.300 -0.003 0.000 1.118 1201 R CA 0.560 56.656 56.100 -0.007 0.000 0.986 1201 R CB -0.105 30.190 30.300 -0.009 0.000 0.884 1201 R HN 0.137 nan 8.270 nan 0.000 0.439 1202 N N 1.053 119.749 118.700 -0.006 0.000 2.558 1202 N HA 0.151 4.887 4.740 -0.006 0.000 0.242 1202 N C -2.363 173.148 175.510 0.001 0.000 0.979 1202 N CA -2.417 50.634 53.050 0.002 0.000 0.931 1202 N CB 1.626 40.119 38.487 0.011 0.000 1.122 1202 N HN -0.145 nan 8.380 nan 0.000 0.508 1203 P HA 0.090 nan 4.420 nan 0.000 0.249 1203 P C 0.223 177.528 177.300 0.007 0.000 1.229 1203 P CA 0.642 63.745 63.100 0.005 0.000 0.788 1203 P CB 0.549 32.252 31.700 0.005 0.000 1.072 1204 Q N -1.579 118.227 119.800 0.010 0.000 2.217 1204 Q HA 0.129 4.466 4.340 -0.006 0.000 0.217 1204 Q C 0.356 176.367 176.000 0.018 0.000 0.844 1204 Q CA 0.285 56.096 55.803 0.012 0.000 0.957 1204 Q CB -0.794 27.951 28.738 0.011 0.000 1.127 1204 Q HN 0.116 nan 8.270 nan 0.000 0.503 1205 T N 3.103 117.670 114.554 0.021 0.000 2.830 1205 T HA -0.009 4.338 4.350 -0.006 0.000 0.282 1205 T C 0.648 175.369 174.700 0.034 0.000 1.024 1205 T CA 0.494 62.616 62.100 0.036 0.000 1.144 1205 T CB 0.209 69.102 68.868 0.042 0.000 1.035 1205 T HN 0.371 nan 8.240 nan 0.000 0.507 1206 S N 2.460 118.183 115.700 0.038 0.000 2.585 1206 S HA 0.126 4.592 4.470 -0.006 0.000 0.273 1206 S C 0.798 175.419 174.600 0.036 0.000 1.339 1206 S CA -0.787 57.431 58.200 0.030 0.000 1.028 1206 S CB 0.821 64.035 63.200 0.024 0.000 0.906 1206 S HN 0.593 nan 8.310 nan 0.000 0.528 1207 D N 1.858 122.274 120.400 0.026 0.000 2.126 1207 D HA -0.134 4.502 4.640 -0.006 0.000 0.190 1207 D C 1.757 178.075 176.300 0.030 0.000 1.001 1207 D CA 2.126 56.141 54.000 0.026 0.000 0.841 1207 D CB -0.477 40.334 40.800 0.018 0.000 0.949 1207 D HN 0.784 nan 8.370 nan 0.000 0.446 1208 E N 0.318 120.530 120.200 0.021 0.000 2.068 1208 E HA -0.284 4.063 4.350 -0.006 0.000 0.207 1208 E C 2.297 178.907 176.600 0.015 0.000 1.032 1208 E CA 2.603 59.010 56.400 0.012 0.000 0.839 1208 E CB -0.582 29.122 29.700 0.006 0.000 0.758 1208 E HN 0.431 nan 8.360 nan 0.000 0.457 1209 K N 0.998 121.418 120.400 0.033 0.000 2.063 1209 K HA -0.054 4.262 4.320 -0.006 0.000 0.208 1209 K C 2.120 178.801 176.600 0.134 0.000 1.048 1209 K CA 1.699 58.017 56.287 0.052 0.000 0.928 1209 K CB -1.262 31.289 32.500 0.084 0.000 0.713 1209 K HN 0.273 nan 8.250 nan 0.000 0.442 1210 L N -0.413 120.914 121.223 0.173 0.000 2.056 1210 L HA 0.004 4.340 4.340 -0.006 0.000 0.207 1210 L C 2.800 179.790 176.870 0.201 0.000 1.078 1210 L CA 1.549 56.547 54.840 0.264 0.000 0.749 1210 L CB -0.326 41.798 42.059 0.108 0.000 0.901 1210 L HN 0.399 nan 8.230 nan 0.000 0.433 1211 A N -0.547 122.322 122.820 0.083 0.000 2.070 1211 A HA -0.214 4.103 4.320 -0.006 0.000 0.220 1211 A C 2.026 179.612 177.584 0.004 0.000 1.159 1211 A CA 1.512 53.572 52.037 0.039 0.000 0.656 1211 A CB -0.487 18.522 19.000 0.015 0.000 0.800 1211 A HN 0.603 nan 8.150 nan 0.000 0.453 1212 E N -1.262 118.908 120.200 -0.049 0.000 2.118 1212 E HA -0.224 4.123 4.350 -0.006 0.000 0.195 1212 E C 1.641 178.118 176.600 -0.206 0.000 0.992 1212 E CA 1.636 57.932 56.400 -0.172 0.000 0.804 1212 E CB -0.255 29.261 29.700 -0.307 0.000 0.741 1212 E HN 0.885 nan 8.360 nan 0.000 0.458 1213 Y N 0.032 120.320 120.300 -0.020 0.000 2.206 1213 Y HA 0.049 4.595 4.550 -0.006 0.000 0.292 1213 Y C 1.467 177.353 175.900 -0.022 0.000 1.123 1213 Y CA 0.454 58.541 58.100 -0.022 0.000 1.142 1213 Y CB 0.344 38.788 38.460 -0.026 0.000 1.006 1213 Y HN -0.112 nan 8.280 nan 0.000 0.518 1214 I N 1.687 122.350 120.570 0.155 0.000 2.578 1214 I HA 0.168 4.335 4.170 -0.006 0.000 0.284 1214 I C -2.052 174.094 176.117 0.048 0.000 1.156 1214 I CA -1.602 59.746 61.300 0.080 0.000 1.165 1214 I CB 0.927 38.947 38.000 0.032 0.000 1.567 1214 I HN -0.003 nan 8.210 nan 0.000 0.546 1215 P HA -0.095 nan 4.420 nan 0.000 0.216 1215 P C 0.367 177.649 177.300 -0.031 0.000 1.150 1215 P CA 0.977 64.069 63.100 -0.015 0.000 0.837 1215 P CB 0.398 32.078 31.700 -0.034 0.000 0.786 1216 A N -4.386 118.415 122.820 -0.033 0.000 2.452 1216 A HA 0.480 4.796 4.320 -0.006 0.000 0.294 1216 A C -2.988 174.486 177.584 -0.185 0.000 1.010 1216 A CA -1.087 50.880 52.037 -0.116 0.000 0.613 1216 A CB -0.352 18.519 19.000 -0.215 0.000 1.363 1216 A HN -0.289 nan 8.150 nan 0.000 0.463 1217 P HA 0.196 nan 4.420 nan 0.000 0.271 1217 P C -0.959 176.062 177.300 -0.464 0.000 1.197 1217 P CA 0.825 63.496 63.100 -0.716 0.000 0.777 1217 P CB 0.292 31.515 31.700 -0.794 0.000 0.827 1218 D N 1.427 121.561 120.400 -0.444 0.000 2.602 1218 D HA 0.296 4.933 4.640 -0.006 0.000 0.245 1218 D C -1.236 174.833 176.300 -0.384 0.000 1.325 1218 D CA -0.276 53.536 54.000 -0.313 0.000 0.952 1218 D CB 0.384 41.071 40.800 -0.188 0.000 1.317 1218 D HN -0.050 nan 8.370 nan 0.000 0.577 1219 L N 4.338 125.328 121.223 -0.389 0.000 2.375 1219 L HA 0.492 4.829 4.340 -0.006 0.000 0.268 1219 L C -1.455 175.211 176.870 -0.341 0.000 1.058 1219 L CA -2.229 52.303 54.840 -0.513 0.000 0.803 1219 L CB 0.980 42.726 42.059 -0.522 0.000 1.212 1219 L HN 0.274 nan 8.230 nan 0.000 0.451 1220 P HA -0.021 nan 4.420 nan 0.000 0.251 1220 P C 0.323 177.607 177.300 -0.027 0.000 1.251 1220 P CA 0.742 63.758 63.100 -0.140 0.000 0.763 1220 P CB 0.159 31.842 31.700 -0.029 0.000 1.067 1221 T N -0.995 113.539 114.554 -0.032 0.000 2.926 1221 T HA 0.322 4.669 4.350 -0.006 0.000 0.289 1221 T C 0.687 175.378 174.700 -0.014 0.000 1.054 1221 T CA -0.754 61.356 62.100 0.017 0.000 1.015 1221 T CB 1.144 70.055 68.868 0.072 0.000 1.167 1221 T HN -0.183 nan 8.240 nan 0.000 0.526 1222 K N 1.012 121.417 120.400 0.008 0.000 2.358 1222 K HA 0.392 4.708 4.320 -0.006 0.000 0.197 1222 K C 0.813 177.421 176.600 0.013 0.000 1.025 1222 K CA -0.326 55.962 56.287 0.001 0.000 1.104 1222 K CB 0.484 32.989 32.500 0.009 0.000 0.855 1222 K HN 0.595 nan 8.250 nan 0.000 0.531 1223 A N 2.092 124.929 122.820 0.028 0.000 2.429 1223 A HA 0.313 4.630 4.320 -0.006 0.000 0.242 1223 A C 0.228 177.821 177.584 0.015 0.000 1.088 1223 A CA 0.080 52.143 52.037 0.042 0.000 0.784 1223 A CB 0.007 19.049 19.000 0.069 0.000 1.038 1223 A HN 0.366 nan 8.150 nan 0.000 0.501 1224 E N 0.344 120.554 120.200 0.017 0.000 2.216 1224 E HA 0.548 4.894 4.350 -0.006 0.000 0.279 1224 E C -0.492 176.102 176.600 -0.009 0.000 0.997 1224 E CA -0.703 55.693 56.400 -0.007 0.000 0.817 1224 E CB 0.676 30.373 29.700 -0.006 0.000 1.096 1224 E HN 0.565 nan 8.360 nan 0.000 0.393 1225 I N 2.863 123.412 120.570 -0.036 0.000 2.329 1225 I HA 0.147 4.313 4.170 -0.006 0.000 0.295 1225 I C 1.121 177.228 176.117 -0.016 0.000 1.109 1225 I CA 0.265 61.544 61.300 -0.035 0.000 1.297 1225 I CB 0.322 38.239 38.000 -0.139 0.000 1.433 1225 I HN 0.769 nan 8.210 nan 0.000 0.509 1226 I N 1.665 122.248 120.570 0.021 0.000 3.891 1226 I HA 0.232 4.399 4.170 -0.006 0.000 0.331 1226 I C 0.289 176.417 176.117 0.019 0.000 1.406 1226 I CA -0.090 61.210 61.300 -0.001 0.000 1.139 1226 I CB 0.019 37.996 38.000 -0.038 0.000 1.056 1226 I HN 0.287 nan 8.210 nan 0.000 0.399 1227 T N 3.498 118.078 114.554 0.043 0.000 2.889 1227 T HA 0.342 4.689 4.350 -0.006 0.000 0.291 1227 T C -2.368 172.343 174.700 0.018 0.000 0.995 1227 T CA -0.754 61.377 62.100 0.051 0.000 1.092 1227 T CB 0.950 69.880 68.868 0.103 0.000 0.954 1227 T HN 0.088 nan 8.240 nan 0.000 0.506 1228 P HA 0.102 nan 4.420 nan 0.000 0.264 1228 P C -1.891 175.412 177.300 0.004 0.000 1.193 1228 P CA -1.138 61.967 63.100 0.008 0.000 0.763 1228 P CB 0.152 31.859 31.700 0.012 0.000 0.810 1229 P HA -0.288 nan 4.420 nan 0.000 0.214 1229 P C 1.456 178.755 177.300 -0.003 0.000 1.172 1229 P CA 1.653 64.746 63.100 -0.011 0.000 0.925 1229 P CB -0.094 31.596 31.700 -0.015 0.000 0.793 1230 E N -0.165 120.035 120.200 -0.000 0.000 2.233 1230 E HA -0.300 4.046 4.350 -0.006 0.000 0.210 1230 E C 1.926 178.533 176.600 0.011 0.000 1.046 1230 E CA 2.173 58.576 56.400 0.004 0.000 0.844 1230 E CB -0.530 29.173 29.700 0.005 0.000 0.741 1230 E HN 0.354 nan 8.360 nan 0.000 0.465 1231 E N -0.827 119.382 120.200 0.015 0.000 2.251 1231 E HA 0.029 4.376 4.350 -0.006 0.000 0.194 1231 E C 2.102 178.721 176.600 0.031 0.000 0.964 1231 E CA 0.263 56.678 56.400 0.025 0.000 0.868 1231 E CB -0.035 29.684 29.700 0.032 0.000 0.828 1231 E HN 0.357 nan 8.360 nan 0.000 0.481 1232 L N 0.877 122.114 121.223 0.022 0.000 2.083 1232 L HA -0.207 4.129 4.340 -0.006 0.000 0.209 1232 L C 3.008 179.889 176.870 0.018 0.000 1.083 1232 L CA 1.304 56.154 54.840 0.016 0.000 0.752 1232 L CB -0.816 41.232 42.059 -0.019 0.000 0.899 1232 L HN 0.323 nan 8.230 nan 0.000 0.433 1233 L N -0.156 121.074 121.223 0.012 0.000 2.083 1233 L HA -0.190 4.147 4.340 -0.006 0.000 0.209 1233 L C 3.008 179.890 176.870 0.021 0.000 1.083 1233 L CA 2.736 57.584 54.840 0.014 0.000 0.752 1233 L CB -2.106 39.958 42.059 0.009 0.000 0.899 1233 L HN 0.396 nan 8.230 nan 0.000 0.433 1234 K N 0.069 120.484 120.400 0.024 0.000 2.057 1234 K HA -0.085 4.231 4.320 -0.006 0.000 0.207 1234 K C 2.072 178.693 176.600 0.035 0.000 1.049 1234 K CA 1.540 57.843 56.287 0.027 0.000 0.931 1234 K CB -1.079 31.437 32.500 0.027 0.000 0.714 1234 K HN 0.757 nan 8.250 nan 0.000 0.440 1235 I N 0.996 121.593 120.570 0.045 0.000 2.248 1235 I HA -0.377 3.790 4.170 -0.006 0.000 0.248 1235 I C 2.834 178.982 176.117 0.053 0.000 1.107 1235 I CA 1.725 63.061 61.300 0.061 0.000 1.373 1235 I CB -0.230 37.822 38.000 0.086 0.000 1.055 1235 I HN 0.499 nan 8.210 nan 0.000 0.418 1236 Q N -0.216 119.608 119.800 0.041 0.000 2.212 1236 Q HA -0.110 4.226 4.340 -0.006 0.000 0.199 1236 Q C 2.125 178.138 176.000 0.022 0.000 0.950 1236 Q CA 1.814 57.636 55.803 0.032 0.000 0.863 1236 Q CB -0.045 28.708 28.738 0.024 0.000 0.944 1236 Q HN 0.620 nan 8.270 nan 0.000 0.465 1237 T N -2.860 111.707 114.554 0.022 0.000 3.081 1237 T HA 0.019 4.365 4.350 -0.006 0.000 0.250 1237 T C 1.644 176.355 174.700 0.018 0.000 1.100 1237 T CA 0.971 63.081 62.100 0.017 0.000 1.038 1237 T CB 0.154 69.031 68.868 0.016 0.000 0.962 1237 T HN 0.280 nan 8.240 nan 0.000 0.516 1238 T N -3.900 110.668 114.554 0.023 0.000 2.975 1238 T HA 0.514 4.860 4.350 -0.006 0.000 0.261 1238 T C 2.036 176.751 174.700 0.026 0.000 0.984 1238 T CA 0.726 62.840 62.100 0.023 0.000 0.911 1238 T CB -0.078 68.805 68.868 0.025 0.000 1.127 1238 T HN 0.706 nan 8.240 nan 0.000 0.514 1239 G N 2.509 111.328 108.800 0.031 0.000 2.412 1239 G HA2 -0.290 3.666 3.960 -0.006 0.000 0.252 1239 G HA3 -0.290 3.666 3.960 -0.006 0.000 0.252 1239 G C 0.388 175.316 174.900 0.046 0.000 1.038 1239 G CA 0.325 45.447 45.100 0.037 0.000 0.628 1239 G HN 0.698 nan 8.290 nan 0.000 0.531 1240 R N 0.969 121.493 120.500 0.041 0.000 2.532 1240 R HA 0.677 5.014 4.340 -0.006 0.000 0.272 1240 R C 0.727 177.058 176.300 0.052 0.000 1.032 1240 R CA 0.515 56.642 56.100 0.044 0.000 1.089 1240 R CB 1.093 31.413 30.300 0.034 0.000 1.098 1240 R HN 1.402 nan 8.270 nan 0.000 0.526 1241 G N -0.653 108.179 108.800 0.054 0.000 2.334 1241 G HA2 0.102 4.059 3.960 -0.006 0.000 0.249 1241 G HA3 0.102 4.059 3.960 -0.006 0.000 0.249 1241 G C -1.397 173.543 174.900 0.067 0.000 1.327 1241 G CA -0.238 44.899 45.100 0.062 0.000 0.979 1241 G HN 0.579 nan 8.290 nan 0.000 0.471 1242 S N -1.007 114.747 115.700 0.090 0.000 2.586 1242 S HA 0.591 5.057 4.470 -0.006 0.000 0.296 1242 S C -1.402 173.276 174.600 0.131 0.000 1.120 1242 S CA -0.122 58.118 58.200 0.066 0.000 0.927 1242 S CB 0.316 63.528 63.200 0.020 0.000 1.114 1242 S HN 1.900 nan 8.310 nan 0.000 0.453 1243 Y N 2.490 122.843 120.300 0.090 0.000 2.536 1243 Y HA 0.882 5.429 4.550 -0.006 0.000 0.347 1243 Y C -0.580 175.422 175.900 0.169 0.000 1.000 1243 Y CA -1.150 57.002 58.100 0.087 0.000 1.051 1243 Y CB 1.122 39.610 38.460 0.047 0.000 1.259 1243 Y HN 0.602 nan 8.280 nan 0.000 0.468 1244 R N 3.544 124.207 120.500 0.272 0.000 2.778 1244 R HA 0.728 5.065 4.340 -0.006 0.000 0.277 1244 R C -1.200 175.285 176.300 0.307 0.000 0.977 1244 R CA -1.020 55.207 56.100 0.211 0.000 0.950 1244 R CB 2.339 32.682 30.300 0.071 0.000 1.165 1244 R HN 0.750 nan 8.270 nan 0.000 0.474 1245 M N 0.952 120.743 119.600 0.319 0.000 2.644 1245 M HA 0.527 5.004 4.480 -0.006 0.000 0.304 1245 M C -0.528 175.830 176.300 0.097 0.000 1.215 1245 M CA -0.756 54.678 55.300 0.223 0.000 0.871 1245 M CB 2.857 35.618 32.600 0.269 0.000 1.740 1245 M HN 0.403 nan 8.290 nan 0.000 0.464 1246 R N 0.173 120.683 120.500 0.015 0.000 2.725 1246 R HA 0.768 5.105 4.340 -0.006 0.000 0.277 1246 R C -1.307 175.009 176.300 0.026 0.000 0.987 1246 R CA -0.613 55.431 56.100 -0.093 0.000 0.901 1246 R CB 2.411 32.495 30.300 -0.359 0.000 1.207 1246 R HN 0.854 nan 8.270 nan 0.000 0.463 1247 A N 2.011 124.906 122.820 0.127 0.000 2.322 1247 A HA 0.410 4.727 4.320 -0.006 0.000 0.269 1247 A C -0.425 177.329 177.584 0.283 0.000 1.094 1247 A CA -0.367 51.787 52.037 0.194 0.000 0.807 1247 A CB 0.932 20.050 19.000 0.196 0.000 1.047 1247 A HN 0.382 nan 8.150 nan 0.000 0.487 1248 V N 2.993 123.045 119.914 0.231 0.000 2.407 1248 V HA 0.516 4.633 4.120 -0.006 0.000 0.278 1248 V C -0.556 175.726 176.094 0.313 0.000 1.037 1248 V CA 0.083 62.534 62.300 0.252 0.000 0.900 1248 V CB 0.439 32.337 31.823 0.125 0.000 0.983 1248 V HN 0.884 nan 8.190 nan 0.000 0.459 1249 Y N 2.470 122.824 120.300 0.089 0.000 2.677 1249 Y HA 0.920 5.467 4.550 -0.006 0.000 0.334 1249 Y C -0.315 175.613 175.900 0.046 0.000 1.154 1249 Y CA -1.354 56.783 58.100 0.062 0.000 1.070 1249 Y CB 1.708 40.204 38.460 0.059 0.000 1.294 1249 Y HN 0.586 nan 8.280 nan 0.000 0.475 1250 T N -0.134 114.429 114.554 0.015 0.000 2.883 1250 T HA 0.720 5.067 4.350 -0.006 0.000 0.301 1250 T C -1.491 173.219 174.700 0.018 0.000 1.158 1250 T CA -0.796 61.251 62.100 -0.088 0.000 1.007 1250 T CB 1.762 70.609 68.868 -0.036 0.000 1.186 1250 T HN 0.684 nan 8.240 nan 0.000 0.499 1251 I N 1.716 122.276 120.570 -0.017 0.000 2.354 1251 I HA 0.468 4.635 4.170 -0.006 0.000 0.292 1251 I C -0.096 176.029 176.117 0.013 0.000 0.989 1251 I CA -0.775 60.543 61.300 0.030 0.000 1.188 1251 I CB 1.218 39.238 38.000 0.034 0.000 1.342 1251 I HN 0.844 nan 8.210 nan 0.000 0.457 1252 E N 7.183 127.395 120.200 0.021 0.000 2.255 1252 E HA 0.400 4.747 4.350 -0.006 0.000 0.256 1252 E C -0.449 176.159 176.600 0.013 0.000 0.887 1252 E CA -0.749 55.658 56.400 0.012 0.000 0.782 1252 E CB 1.972 31.679 29.700 0.011 0.000 1.214 1252 E HN 0.369 nan 8.360 nan 0.000 0.417 1253 K N 1.497 121.903 120.400 0.009 0.000 1.979 1253 K HA -0.233 4.083 4.320 -0.006 0.000 0.143 1253 K C 0.481 177.087 176.600 0.010 0.000 1.185 1253 K CA 1.695 57.987 56.287 0.008 0.000 0.336 1253 K CB -1.360 31.144 32.500 0.006 0.000 0.680 1253 K HN 0.759 nan 8.250 nan 0.000 0.783 1254 N N 2.392 121.097 118.700 0.009 0.000 2.275 1254 N HA 0.241 4.977 4.740 -0.006 0.000 0.236 1254 N C -0.361 175.155 175.510 0.010 0.000 1.154 1254 N CA 0.748 53.803 53.050 0.009 0.000 0.866 1254 N CB 0.540 39.030 38.487 0.004 0.000 1.093 1254 N HN 0.681 nan 8.380 nan 0.000 0.515 1255 E N 0.738 120.947 120.200 0.015 0.000 2.210 1255 E HA 0.586 4.932 4.350 -0.006 0.000 0.266 1255 E C -0.715 175.906 176.600 0.034 0.000 0.883 1255 E CA -0.790 55.620 56.400 0.017 0.000 0.761 1255 E CB 1.191 30.898 29.700 0.012 0.000 1.156 1255 E HN 0.361 nan 8.360 nan 0.000 0.412 1256 I N 2.397 122.990 120.570 0.039 0.000 2.291 1256 I HA 0.253 4.419 4.170 -0.006 0.000 0.292 1256 I C -0.115 176.048 176.117 0.076 0.000 1.064 1256 I CA -0.893 60.457 61.300 0.082 0.000 1.269 1256 I CB 1.367 39.400 38.000 0.056 0.000 1.418 1256 I HN 0.309 nan 8.210 nan 0.000 0.485 1257 V N 8.054 128.024 119.914 0.094 0.000 2.461 1257 V HA 0.314 4.430 4.120 -0.006 0.000 0.275 1257 V C 0.363 176.530 176.094 0.121 0.000 1.047 1257 V CA -0.127 62.219 62.300 0.077 0.000 0.955 1257 V CB 1.195 33.049 31.823 0.051 0.000 0.988 1257 V HN 0.446 nan 8.190 nan 0.000 0.471 1258 I N 5.295 125.919 120.570 0.090 0.000 2.406 1258 I HA 0.377 4.543 4.170 -0.006 0.000 0.290 1258 I C 0.973 177.136 176.117 0.078 0.000 0.999 1258 I CA -0.300 61.067 61.300 0.111 0.000 1.124 1258 I CB 1.799 39.839 38.000 0.068 0.000 1.289 1258 I HN 0.716 nan 8.210 nan 0.000 0.441 1259 T N 0.315 114.923 114.554 0.089 0.000 2.987 1259 T HA 0.234 4.580 4.350 -0.006 0.000 0.248 1259 T C 0.488 175.222 174.700 0.058 0.000 0.997 1259 T CA 0.026 62.162 62.100 0.059 0.000 1.013 1259 T CB 0.498 69.396 68.868 0.050 0.000 1.077 1259 T HN 0.421 nan 8.240 nan 0.000 0.483 1260 E N 1.465 121.712 120.200 0.078 0.000 2.191 1260 E HA 0.584 4.931 4.350 -0.006 0.000 0.263 1260 E C -1.038 175.614 176.600 0.085 0.000 0.881 1260 E CA -0.427 56.016 56.400 0.072 0.000 0.757 1260 E CB 2.436 32.177 29.700 0.068 0.000 1.147 1260 E HN 0.440 nan 8.360 nan 0.000 0.414 1261 L N 3.490 124.757 121.223 0.074 0.000 2.352 1261 L HA 0.493 4.829 4.340 -0.006 0.000 0.269 1261 L C -2.133 174.799 176.870 0.102 0.000 1.034 1261 L CA -2.070 52.818 54.840 0.080 0.000 0.806 1261 L CB 0.950 43.040 42.059 0.052 0.000 1.244 1261 L HN 0.159 nan 8.230 nan 0.000 0.447 1262 P HA -0.034 nan 4.420 nan 0.000 0.272 1262 P C -1.114 176.324 177.300 0.229 0.000 1.240 1262 P CA -0.270 62.942 63.100 0.186 0.000 0.791 1262 P CB 0.254 32.100 31.700 0.244 0.000 0.978 1263 Y N 1.904 122.254 120.300 0.082 0.000 2.815 1263 Y HA -0.154 4.392 4.550 -0.006 0.000 0.346 1263 Y C 0.863 176.871 175.900 0.180 0.000 1.267 1263 Y CA 0.340 58.472 58.100 0.054 0.000 1.604 1263 Y CB -0.493 37.888 38.460 -0.131 0.000 1.218 1263 Y HN 0.446 nan 8.280 nan 0.000 0.527 1264 Q N 2.163 121.848 119.800 -0.191 0.000 2.493 1264 Q HA -0.166 4.171 4.340 -0.006 0.000 0.278 1264 Q C -1.373 174.576 176.000 -0.084 0.000 1.198 1264 Q CA 0.414 56.064 55.803 -0.254 0.000 0.880 1264 Q CB -1.749 26.686 28.738 -0.505 0.000 1.260 1264 Q HN 0.428 nan 8.270 nan 0.000 0.470 1265 V N 1.046 120.951 119.914 -0.016 0.000 2.384 1265 V HA 0.413 4.530 4.120 -0.006 0.000 0.287 1265 V C 0.342 176.417 176.094 -0.033 0.000 1.020 1265 V CA -0.159 62.132 62.300 -0.015 0.000 0.850 1265 V CB 1.830 33.667 31.823 0.023 0.000 0.987 1265 V HN 0.286 nan 8.190 nan 0.000 0.436 1266 S N 4.003 119.674 115.700 -0.049 0.000 2.499 1266 S HA 0.370 4.837 4.470 -0.006 0.000 0.275 1266 S C 1.549 176.122 174.600 -0.045 0.000 1.257 1266 S CA 0.140 58.303 58.200 -0.061 0.000 1.050 1266 S CB 1.243 64.404 63.200 -0.066 0.000 0.937 1266 S HN 1.036 nan 8.310 nan 0.000 0.490 1267 G N 4.099 112.872 108.800 -0.045 0.000 2.574 1267 G HA2 -0.248 3.708 3.960 -0.006 0.000 0.220 1267 G HA3 -0.248 3.708 3.960 -0.006 0.000 0.220 1267 G C 1.584 176.465 174.900 -0.032 0.000 1.173 1267 G CA 1.308 46.389 45.100 -0.032 0.000 0.772 1267 G HN 0.747 nan 8.290 nan 0.000 0.585 1268 S N 0.749 116.427 115.700 -0.037 0.000 2.353 1268 S HA -0.116 4.351 4.470 -0.006 0.000 0.222 1268 S C 2.785 177.366 174.600 -0.033 0.000 1.035 1268 S CA 2.515 60.695 58.200 -0.034 0.000 1.025 1268 S CB -0.570 62.609 63.200 -0.036 0.000 0.902 1268 S HN 0.804 nan 8.310 nan 0.000 0.440 1269 K N 1.240 121.619 120.400 -0.036 0.000 2.059 1269 K HA -0.121 4.196 4.320 -0.006 0.000 0.212 1269 K C 2.209 178.789 176.600 -0.034 0.000 1.050 1269 K CA 1.896 58.162 56.287 -0.036 0.000 0.927 1269 K CB -1.608 30.868 32.500 -0.039 0.000 0.714 1269 K HN 0.273 nan 8.250 nan 0.000 0.447 1270 V N 1.247 121.141 119.914 -0.033 0.000 2.233 1270 V HA -0.299 3.818 4.120 -0.006 0.000 0.247 1270 V C 2.490 178.564 176.094 -0.035 0.000 1.050 1270 V CA 2.272 64.552 62.300 -0.034 0.000 1.010 1270 V CB -0.478 31.328 31.823 -0.028 0.000 0.637 1270 V HN 0.605 nan 8.190 nan 0.000 0.444 1271 I N -0.284 120.268 120.570 -0.031 0.000 2.113 1271 I HA -0.355 3.811 4.170 -0.006 0.000 0.242 1271 I C 2.570 178.671 176.117 -0.027 0.000 1.057 1271 I CA 2.291 63.574 61.300 -0.028 0.000 1.314 1271 I CB -0.935 37.051 38.000 -0.024 0.000 1.022 1271 I HN 0.344 nan 8.210 nan 0.000 0.408 1272 T N -0.147 114.391 114.554 -0.027 0.000 2.652 1272 T HA -0.278 4.069 4.350 -0.006 0.000 0.267 1272 T C 1.888 176.572 174.700 -0.027 0.000 1.039 1272 T CA 1.716 63.801 62.100 -0.025 0.000 1.153 1272 T CB -0.317 68.536 68.868 -0.026 0.000 0.863 1272 T HN 0.365 nan 8.240 nan 0.000 0.428 1273 Q N 0.112 119.893 119.800 -0.031 0.000 2.062 1273 Q HA -0.136 4.200 4.340 -0.006 0.000 0.209 1273 Q C 2.350 178.331 176.000 -0.032 0.000 0.996 1273 Q CA 1.758 57.541 55.803 -0.034 0.000 0.859 1273 Q CB -0.411 28.302 28.738 -0.042 0.000 0.920 1273 Q HN 0.505 nan 8.270 nan 0.000 0.415 1274 I N 0.069 120.619 120.570 -0.034 0.000 2.087 1274 I HA -0.363 3.804 4.170 -0.006 0.000 0.240 1274 I C 2.292 178.397 176.117 -0.020 0.000 1.054 1274 I CA 1.358 62.639 61.300 -0.031 0.000 1.311 1274 I CB -0.588 37.391 38.000 -0.035 0.000 1.024 1274 I HN 0.278 nan 8.210 nan 0.000 0.402 1275 A N 0.057 122.865 122.820 -0.020 0.000 2.019 1275 A HA -0.236 4.081 4.320 -0.006 0.000 0.219 1275 A C 1.815 179.391 177.584 -0.013 0.000 1.164 1275 A CA 1.938 53.966 52.037 -0.015 0.000 0.644 1275 A CB -0.548 18.443 19.000 -0.016 0.000 0.805 1275 A HN 0.412 nan 8.150 nan 0.000 0.449 1276 D N -0.487 119.905 120.400 -0.014 0.000 2.144 1276 D HA -0.131 4.506 4.640 -0.006 0.000 0.200 1276 D C 2.132 178.428 176.300 -0.006 0.000 0.978 1276 D CA 1.301 55.294 54.000 -0.012 0.000 0.833 1276 D CB -0.292 40.499 40.800 -0.015 0.000 0.961 1276 D HN 0.627 nan 8.370 nan 0.000 0.470 1277 Q N -0.283 119.516 119.800 -0.003 0.000 1.990 1277 Q HA -0.073 4.264 4.340 -0.006 0.000 0.200 1277 Q C 2.365 178.368 176.000 0.004 0.000 0.980 1277 Q CA 1.065 56.873 55.803 0.009 0.000 0.832 1277 Q CB -0.061 28.693 28.738 0.027 0.000 0.897 1277 Q HN 0.259 nan 8.270 nan 0.000 0.427 1278 M N -0.078 119.521 119.600 -0.001 0.000 2.088 1278 M HA -0.326 4.151 4.480 -0.006 0.000 0.256 1278 M C 2.729 179.025 176.300 -0.006 0.000 1.071 1278 M CA 2.477 57.774 55.300 -0.005 0.000 1.097 1278 M CB -0.830 31.766 32.600 -0.008 0.000 1.315 1278 M HN 0.368 nan 8.290 nan 0.000 0.406 1279 Q N 0.032 119.828 119.800 -0.007 0.000 2.234 1279 Q HA 0.044 4.380 4.340 -0.006 0.000 0.206 1279 Q C 1.625 177.621 176.000 -0.007 0.000 0.980 1279 Q CA 1.721 57.519 55.803 -0.008 0.000 0.869 1279 Q CB -1.007 27.725 28.738 -0.009 0.000 0.912 1279 Q HN 0.714 nan 8.270 nan 0.000 0.436 1280 A N -0.797 122.020 122.820 -0.005 0.000 2.842 1280 A HA 0.561 4.877 4.320 -0.006 0.000 0.298 1280 A C 1.274 178.855 177.584 -0.004 0.000 1.293 1280 A CA 0.944 52.979 52.037 -0.004 0.000 0.959 1280 A CB -1.105 17.893 19.000 -0.003 0.000 1.119 1280 A HN 1.453 nan 8.150 nan 0.000 0.564 1281 K N -1.282 119.115 120.400 -0.006 0.000 3.010 1281 K HA -0.257 4.060 4.320 -0.006 0.000 0.255 1281 K C 1.024 177.619 176.600 -0.009 0.000 0.929 1281 K CA 2.761 59.043 56.287 -0.008 0.000 0.687 1281 K CB -2.951 29.543 32.500 -0.010 0.000 1.304 1281 K HN 1.620 nan 8.250 nan 0.000 0.479 1282 K N -0.402 119.997 120.400 -0.003 0.000 2.352 1282 K HA 0.589 4.905 4.320 -0.006 0.000 0.194 1282 K C 1.019 177.614 176.600 -0.007 0.000 1.038 1282 K CA 1.047 57.334 56.287 0.000 0.000 1.023 1282 K CB 0.360 32.873 32.500 0.023 0.000 0.840 1282 K HN 0.791 nan 8.250 nan 0.000 0.519 1283 L N 1.355 122.575 121.223 -0.004 0.000 2.480 1283 L HA 0.263 4.600 4.340 -0.006 0.000 0.253 1283 L C -2.226 174.633 176.870 -0.018 0.000 1.324 1283 L CA -1.556 53.276 54.840 -0.013 0.000 0.916 1283 L CB 2.220 44.289 42.059 0.016 0.000 1.160 1283 L HN 0.021 nan 8.230 nan 0.000 0.503 1284 P HA 0.013 nan 4.420 nan 0.000 0.245 1284 P C 0.974 178.261 177.300 -0.022 0.000 1.212 1284 P CA 0.432 63.520 63.100 -0.021 0.000 0.774 1284 P CB 0.192 31.879 31.700 -0.022 0.000 0.999 1285 L N -2.045 119.161 121.223 -0.028 0.000 2.612 1285 L HA 0.198 4.535 4.340 -0.006 0.000 0.230 1285 L C 0.434 177.291 176.870 -0.021 0.000 1.140 1285 L CA 0.009 54.832 54.840 -0.028 0.000 0.896 1285 L CB -0.188 41.847 42.059 -0.040 0.000 1.065 1285 L HN -0.290 nan 8.230 nan 0.000 0.447 1286 V N -0.217 119.686 119.914 -0.017 0.000 2.577 1286 V HA 0.426 4.543 4.120 -0.006 0.000 0.303 1286 V C 0.703 176.789 176.094 -0.013 0.000 1.042 1286 V CA -0.208 62.083 62.300 -0.015 0.000 0.872 1286 V CB 1.818 33.632 31.823 -0.016 0.000 0.998 1286 V HN -0.133 nan 8.190 nan 0.000 0.423 1287 V N 2.097 122.004 119.914 -0.011 0.000 3.643 1287 V HA 0.498 4.615 4.120 -0.006 0.000 0.280 1287 V C 0.257 176.346 176.094 -0.009 0.000 1.351 1287 V CA 1.193 63.487 62.300 -0.010 0.000 1.073 1287 V CB 0.192 32.010 31.823 -0.008 0.000 0.863 1287 V HN 0.801 nan 8.190 nan 0.000 0.436 1288 D N -1.757 118.637 120.400 -0.010 0.000 2.722 1288 D HA 0.472 5.108 4.640 -0.006 0.000 0.231 1288 D C -1.895 174.398 176.300 -0.011 0.000 1.218 1288 D CA -0.100 53.894 54.000 -0.010 0.000 0.753 1288 D CB 2.233 43.029 40.800 -0.007 0.000 1.471 1288 D HN -0.052 nan 8.370 nan 0.000 0.455 1289 V N 1.605 121.511 119.914 -0.012 0.000 2.443 1289 V HA 0.879 4.996 4.120 -0.006 0.000 0.293 1289 V C 0.342 176.429 176.094 -0.012 0.000 1.021 1289 V CA -0.511 61.780 62.300 -0.014 0.000 0.848 1289 V CB 1.063 32.875 31.823 -0.019 0.000 0.998 1289 V HN 0.720 nan 8.190 nan 0.000 0.424 1290 R N 1.816 122.310 120.500 -0.009 0.000 2.514 1290 R HA 0.654 4.991 4.340 -0.006 0.000 0.301 1290 R C -0.546 175.750 176.300 -0.008 0.000 0.962 1290 R CA -0.772 55.323 56.100 -0.007 0.000 0.882 1290 R CB 1.157 31.454 30.300 -0.005 0.000 1.143 1290 R HN 0.774 nan 8.270 nan 0.000 0.452 1291 D N 1.877 122.272 120.400 -0.008 0.000 2.411 1291 D HA 0.129 4.766 4.640 -0.006 0.000 0.225 1291 D C -0.845 175.451 176.300 -0.007 0.000 1.156 1291 D CA -0.102 53.893 54.000 -0.008 0.000 0.874 1291 D CB 0.679 41.473 40.800 -0.011 0.000 1.034 1291 D HN 0.562 nan 8.370 nan 0.000 0.502 1292 E N 1.740 121.935 120.200 -0.008 0.000 2.167 1292 E HA 0.490 4.837 4.350 -0.006 0.000 0.284 1292 E C -0.711 175.879 176.600 -0.018 0.000 1.016 1292 E CA -0.387 56.006 56.400 -0.012 0.000 0.817 1292 E CB 1.346 31.039 29.700 -0.012 0.000 1.080 1292 E HN 0.197 nan 8.360 nan 0.000 0.397 1293 S N 2.027 117.712 115.700 -0.025 0.000 2.588 1293 S HA 0.542 5.009 4.470 -0.006 0.000 0.269 1293 S C -1.794 172.774 174.600 -0.053 0.000 1.157 1293 S CA -0.927 57.253 58.200 -0.032 0.000 0.824 1293 S CB 1.460 64.651 63.200 -0.016 0.000 1.126 1293 S HN 0.730 nan 8.310 nan 0.000 0.464 1294 D N -1.480 118.872 120.400 -0.079 0.000 2.972 1294 D HA 0.167 4.803 4.640 -0.006 0.000 0.294 1294 D C 0.444 176.651 176.300 -0.155 0.000 1.211 1294 D CA -0.498 53.413 54.000 -0.148 0.000 0.732 1294 D CB -0.544 40.017 40.800 -0.399 0.000 1.257 1294 D HN 0.586 nan 8.370 nan 0.000 0.435 1295 H N -1.913 117.172 119.070 0.026 0.000 2.297 1295 H HA -0.102 4.451 4.556 -0.006 0.000 0.289 1295 H C 1.940 177.285 175.328 0.028 0.000 1.105 1295 H CA 2.866 58.931 56.048 0.029 0.000 1.219 1295 H CB -0.809 28.969 29.762 0.028 0.000 1.351 1295 H HN 0.630 nan 8.280 nan 0.000 0.481 1296 E N 1.333 121.449 120.200 -0.140 0.000 2.112 1296 E HA -0.001 4.346 4.350 -0.006 0.000 0.190 1296 E C 0.559 177.125 176.600 -0.057 0.000 0.979 1296 E CA 0.957 57.325 56.400 -0.054 0.000 0.814 1296 E CB -0.163 29.499 29.700 -0.063 0.000 0.762 1296 E HN 0.640 nan 8.360 nan 0.000 0.460 1297 N N 0.168 118.806 118.700 -0.104 0.000 2.706 1297 N HA 0.303 5.039 4.740 -0.006 0.000 0.240 1297 N C -2.300 173.188 175.510 -0.036 0.000 1.039 1297 N CA -1.993 51.023 53.050 -0.056 0.000 0.888 1297 N CB 1.950 40.401 38.487 -0.059 0.000 1.128 1297 N HN -0.056 nan 8.380 nan 0.000 0.512 1298 P HA -0.172 nan 4.420 nan 0.000 0.218 1298 P C -0.356 176.946 177.300 0.003 0.000 1.165 1298 P CA 1.692 64.799 63.100 0.011 0.000 0.922 1298 P CB 0.282 31.997 31.700 0.025 0.000 0.794 1299 T N -2.450 112.106 114.554 0.005 0.000 2.952 1299 T HA 0.745 5.092 4.350 -0.006 0.000 0.305 1299 T C -0.372 174.333 174.700 0.009 0.000 1.064 1299 T CA -0.517 61.586 62.100 0.005 0.000 1.008 1299 T CB 2.173 71.049 68.868 0.014 0.000 1.078 1299 T HN 0.009 nan 8.240 nan 0.000 0.459 1300 R N 2.019 122.522 120.500 0.005 0.000 3.107 1300 R HA 0.548 4.884 4.340 -0.006 0.000 0.224 1300 R C -1.333 174.971 176.300 0.008 0.000 1.734 1300 R CA -0.693 55.413 56.100 0.010 0.000 1.303 1300 R CB -0.516 29.785 30.300 0.001 0.000 1.570 1300 R HN 0.577 nan 8.270 nan 0.000 0.606 1301 L N 1.551 122.781 121.223 0.012 0.000 2.361 1301 L HA 0.506 4.843 4.340 -0.006 0.000 0.278 1301 L C 0.083 176.957 176.870 0.007 0.000 1.113 1301 L CA -0.240 54.602 54.840 0.003 0.000 0.849 1301 L CB 1.990 44.047 42.059 -0.004 0.000 1.155 1301 L HN 0.417 nan 8.230 nan 0.000 0.452 1302 V N 6.326 126.241 119.914 0.002 0.000 2.370 1302 V HA 0.402 4.518 4.120 -0.006 0.000 0.283 1302 V C 0.234 176.324 176.094 -0.006 0.000 1.023 1302 V CA -0.518 61.785 62.300 0.004 0.000 0.857 1302 V CB 1.502 33.328 31.823 0.005 0.000 0.985 1302 V HN 0.477 nan 8.190 nan 0.000 0.443 1303 I N 5.262 125.827 120.570 -0.009 0.000 2.336 1303 I HA 0.378 4.544 4.170 -0.006 0.000 0.292 1303 I C -0.395 175.716 176.117 -0.010 0.000 0.991 1303 I CA -0.704 60.585 61.300 -0.019 0.000 1.227 1303 I CB 1.892 39.868 38.000 -0.040 0.000 1.366 1303 I HN 0.250 nan 8.210 nan 0.000 0.466 1304 V N 7.489 127.396 119.914 -0.011 0.000 2.277 1304 V HA 0.281 4.397 4.120 -0.006 0.000 0.269 1304 V C 0.598 176.687 176.094 -0.009 0.000 1.036 1304 V CA -0.455 61.841 62.300 -0.007 0.000 0.821 1304 V CB 0.509 32.329 31.823 -0.005 0.000 1.052 1304 V HN 0.551 nan 8.190 nan 0.000 0.462 1305 L N 3.288 124.506 121.223 -0.007 0.000 2.367 1305 L HA 0.302 4.638 4.340 -0.006 0.000 0.215 1305 L C 1.873 178.737 176.870 -0.009 0.000 1.197 1305 L CA 0.556 55.390 54.840 -0.009 0.000 0.836 1305 L CB -0.307 41.748 42.059 -0.007 0.000 1.242 1305 L HN 0.711 nan 8.230 nan 0.000 0.553 1306 R N 0.009 120.503 120.500 -0.010 0.000 1.799 1306 R HA 0.185 4.522 4.340 -0.006 0.000 0.150 1306 R C 1.110 177.405 176.300 -0.007 0.000 1.953 1306 R CA 0.625 56.719 56.100 -0.009 0.000 1.598 1306 R CB -0.978 29.315 30.300 -0.012 0.000 1.119 1306 R HN 0.631 nan 8.270 nan 0.000 0.479 1307 S N 0.727 116.422 115.700 -0.008 0.000 2.568 1307 S HA -0.014 4.453 4.470 -0.006 0.000 0.282 1307 S C 0.887 175.485 174.600 -0.004 0.000 1.338 1307 S CA 0.086 58.282 58.200 -0.006 0.000 1.045 1307 S CB 0.554 63.750 63.200 -0.007 0.000 0.873 1307 S HN 0.639 nan 8.310 nan 0.000 0.516 1308 N N 2.716 121.414 118.700 -0.002 0.000 2.512 1308 N HA -0.055 4.682 4.740 -0.006 0.000 0.183 1308 N C 1.914 177.424 175.510 0.001 0.000 1.073 1308 N CA 1.364 54.414 53.050 0.000 0.000 0.911 1308 N CB -0.250 38.237 38.487 0.001 0.000 0.964 1308 N HN 0.657 nan 8.380 nan 0.000 0.447 1309 R N 0.358 120.857 120.500 -0.001 0.000 2.236 1309 R HA 0.207 4.544 4.340 -0.006 0.000 0.208 1309 R C 1.055 177.354 176.300 -0.002 0.000 1.036 1309 R CA 0.644 56.743 56.100 -0.001 0.000 1.001 1309 R CB -1.246 29.052 30.300 -0.003 0.000 0.896 1309 R HN 0.346 nan 8.270 nan 0.000 0.464 1310 I N 1.672 122.240 120.570 -0.004 0.000 2.752 1310 I HA 0.029 4.196 4.170 -0.006 0.000 0.287 1310 I C -0.098 176.018 176.117 -0.000 0.000 1.188 1310 I CA -0.170 61.126 61.300 -0.006 0.000 1.427 1310 I CB 0.773 38.766 38.000 -0.012 0.000 1.365 1310 I HN 0.168 nan 8.210 nan 0.000 0.585 1311 D N 5.025 125.425 120.400 -0.001 0.000 2.508 1311 D HA 0.274 4.911 4.640 -0.006 0.000 0.224 1311 D C 1.072 177.380 176.300 0.015 0.000 1.171 1311 D CA -0.077 53.929 54.000 0.009 0.000 1.006 1311 D CB 0.888 41.693 40.800 0.009 0.000 1.073 1311 D HN 0.603 nan 8.370 nan 0.000 0.513 1312 A N 3.865 126.698 122.820 0.022 0.000 2.042 1312 A HA -0.237 4.079 4.320 -0.006 0.000 0.222 1312 A C 2.045 179.659 177.584 0.050 0.000 1.167 1312 A CA 1.190 53.246 52.037 0.031 0.000 0.649 1312 A CB -0.278 18.754 19.000 0.053 0.000 0.809 1312 A HN 0.500 nan 8.150 nan 0.000 0.457 1313 E N -0.077 120.164 120.200 0.068 0.000 2.058 1313 E HA -0.172 4.175 4.350 -0.006 0.000 0.194 1313 E C 2.423 179.059 176.600 0.060 0.000 0.997 1313 E CA 1.356 57.812 56.400 0.094 0.000 0.801 1313 E CB -0.742 29.008 29.700 0.084 0.000 0.746 1313 E HN 0.602 nan 8.360 nan 0.000 0.450 1314 A N 1.048 123.891 122.820 0.038 0.000 1.845 1314 A HA -0.176 4.140 4.320 -0.006 0.000 0.215 1314 A C 2.627 180.225 177.584 0.023 0.000 1.195 1314 A CA 1.994 54.049 52.037 0.031 0.000 0.616 1314 A CB -1.032 17.973 19.000 0.008 0.000 0.832 1314 A HN 0.120 nan 8.150 nan 0.000 0.443 1315 V N -0.018 119.894 119.914 -0.004 0.000 2.233 1315 V HA -0.433 3.683 4.120 -0.006 0.000 0.256 1315 V C 2.695 178.749 176.094 -0.067 0.000 1.069 1315 V CA 2.607 64.900 62.300 -0.011 0.000 1.054 1315 V CB -0.859 30.942 31.823 -0.036 0.000 0.664 1315 V HN 0.553 nan 8.190 nan 0.000 0.453 1316 M N -0.512 118.971 119.600 -0.196 0.000 2.099 1316 M HA -0.076 4.401 4.480 -0.006 0.000 0.262 1316 M C 2.269 178.208 176.300 -0.602 0.000 1.067 1316 M CA 1.759 56.730 55.300 -0.549 0.000 1.124 1316 M CB -1.212 30.937 32.600 -0.751 0.000 1.353 1316 M HN 0.418 nan 8.290 nan 0.000 0.410 1317 S N -0.893 114.698 115.700 -0.182 0.000 2.727 1317 S HA -0.111 4.356 4.470 -0.006 0.000 0.226 1317 S C 1.377 176.033 174.600 0.093 0.000 0.963 1317 S CA 0.491 58.743 58.200 0.087 0.000 0.950 1317 S CB -0.520 62.796 63.200 0.192 0.000 0.779 1317 S HN 0.517 nan 8.310 nan 0.000 0.532 1318 H N 0.484 119.506 119.070 -0.080 0.000 2.393 1318 H HA 0.299 4.852 4.556 -0.006 0.000 0.307 1318 H C 1.748 177.034 175.328 -0.069 0.000 1.038 1318 H CA 0.820 56.837 56.048 -0.051 0.000 1.351 1318 H CB -0.474 29.253 29.762 -0.059 0.000 1.464 1318 H HN 0.278 nan 8.280 nan 0.000 0.575 1319 L N -0.081 120.918 121.223 -0.374 0.000 2.043 1319 L HA -0.192 4.145 4.340 -0.006 0.000 0.212 1319 L C 2.071 178.810 176.870 -0.218 0.000 1.075 1319 L CA 1.590 56.191 54.840 -0.398 0.000 0.752 1319 L CB -0.690 41.150 42.059 -0.366 0.000 0.891 1319 L HN 0.325 nan 8.230 nan 0.000 0.432 1320 F N -0.220 119.635 119.950 -0.158 0.000 2.346 1320 F HA -0.242 4.282 4.527 -0.006 0.000 0.301 1320 F C 1.977 177.716 175.800 -0.103 0.000 1.070 1320 F CA 0.299 58.234 58.000 -0.107 0.000 1.407 1320 F CB -0.124 38.841 39.000 -0.059 0.000 1.072 1320 F HN 0.141 nan 8.300 nan 0.000 0.543 1321 A N -0.741 122.093 122.820 0.024 0.000 2.564 1321 A HA 0.238 4.554 4.320 -0.006 0.000 0.279 1321 A C 1.033 178.553 177.584 -0.106 0.000 1.232 1321 A CA 0.552 52.574 52.037 -0.024 0.000 0.950 1321 A CB -0.440 18.563 19.000 0.005 0.000 1.138 1321 A HN 0.273 nan 8.150 nan 0.000 0.526 1322 T N -4.182 110.270 114.554 -0.171 0.000 3.191 1322 T HA 0.201 4.548 4.350 -0.006 0.000 0.285 1322 T C 0.585 175.207 174.700 -0.131 0.000 0.887 1322 T CA 0.770 62.763 62.100 -0.179 0.000 0.881 1322 T CB -0.250 68.435 68.868 -0.304 0.000 1.217 1322 T HN 0.449 nan 8.240 nan 0.000 0.591 1323 T N -0.330 114.158 114.554 -0.111 0.000 2.910 1323 T HA 0.565 4.912 4.350 -0.006 0.000 0.287 1323 T C -0.638 174.041 174.700 -0.035 0.000 1.050 1323 T CA -0.650 61.407 62.100 -0.071 0.000 1.011 1323 T CB 1.608 70.431 68.868 -0.076 0.000 1.195 1323 T HN -0.198 nan 8.240 nan 0.000 0.540 1324 D N 0.191 120.572 120.400 -0.032 0.000 2.323 1324 D HA 0.169 4.806 4.640 -0.006 0.000 0.239 1324 D C 1.654 177.966 176.300 0.021 0.000 1.129 1324 D CA 0.097 54.081 54.000 -0.026 0.000 0.865 1324 D CB -0.309 40.462 40.800 -0.049 0.000 0.913 1324 D HN 0.394 nan 8.370 nan 0.000 0.517 1325 L N 0.037 121.297 121.223 0.063 0.000 2.201 1325 L HA -0.044 4.292 4.340 -0.006 0.000 0.212 1325 L C 1.224 178.200 176.870 0.177 0.000 1.105 1325 L CA 0.965 55.892 54.840 0.145 0.000 0.775 1325 L CB 0.024 42.188 42.059 0.175 0.000 0.913 1325 L HN -0.026 nan 8.230 nan 0.000 0.440 1326 E N -0.119 120.167 120.200 0.143 0.000 2.155 1326 E HA 0.324 4.671 4.350 -0.006 0.000 0.264 1326 E C -1.188 175.404 176.600 -0.013 0.000 0.886 1326 E CA -0.137 56.270 56.400 0.012 0.000 0.752 1326 E CB 1.499 31.167 29.700 -0.053 0.000 1.133 1326 E HN -0.113 nan 8.360 nan 0.000 0.414 1327 S N 2.601 118.282 115.700 -0.032 0.000 2.541 1327 S HA 0.393 4.859 4.470 -0.006 0.000 0.280 1327 S C -0.849 173.563 174.600 -0.312 0.000 1.112 1327 S CA -0.548 57.547 58.200 -0.176 0.000 0.925 1327 S CB 1.921 64.978 63.200 -0.237 0.000 1.067 1327 S HN 0.458 nan 8.310 nan 0.000 0.479 1328 S N 1.953 117.411 115.700 -0.403 0.000 2.652 1328 S HA 0.728 5.194 4.470 -0.006 0.000 0.270 1328 S C -1.733 172.400 174.600 -0.777 0.000 1.243 1328 S CA -0.182 57.782 58.200 -0.392 0.000 0.999 1328 S CB 0.292 63.361 63.200 -0.219 0.000 0.973 1328 S HN 0.597 nan 8.310 nan 0.000 0.544 1329 Y N 0.775 120.837 120.300 -0.397 0.000 2.396 1329 Y HA 0.419 4.966 4.550 -0.006 0.000 0.332 1329 Y C 0.316 176.008 175.900 -0.347 0.000 1.034 1329 Y CA -0.841 56.964 58.100 -0.492 0.000 1.057 1329 Y CB 1.357 39.197 38.460 -1.034 0.000 1.220 1329 Y HN 0.535 nan 8.280 nan 0.000 0.440 1330 R N 2.212 122.689 120.500 -0.038 0.000 2.389 1330 R HA 0.578 4.914 4.340 -0.006 0.000 0.295 1330 R C -1.270 175.069 176.300 0.065 0.000 1.075 1330 R CA -0.405 55.697 56.100 0.004 0.000 1.005 1330 R CB 0.800 31.103 30.300 0.005 0.000 0.987 1330 R HN 0.443 nan 8.270 nan 0.000 0.452 1331 V N 3.792 123.753 119.914 0.079 0.000 2.444 1331 V HA 0.280 4.397 4.120 -0.006 0.000 0.294 1331 V C -0.130 176.007 176.094 0.073 0.000 1.022 1331 V CA -0.749 61.615 62.300 0.106 0.000 0.850 1331 V CB 1.492 33.406 31.823 0.152 0.000 0.992 1331 V HN 0.853 nan 8.190 nan 0.000 0.426 1332 N N 4.487 123.225 118.700 0.064 0.000 2.725 1332 N HA 0.311 5.048 4.740 -0.006 0.000 0.248 1332 N C -0.205 175.329 175.510 0.040 0.000 1.402 1332 N CA -0.556 52.522 53.050 0.046 0.000 0.766 1332 N CB 0.774 39.283 38.487 0.036 0.000 1.223 1332 N HN 0.691 nan 8.380 nan 0.000 0.515 1333 L N 1.434 122.681 121.223 0.040 0.000 3.240 1333 L HA 0.014 4.351 4.340 -0.006 0.000 0.241 1333 L C 0.405 177.283 176.870 0.013 0.000 1.473 1333 L CA 0.130 54.988 54.840 0.029 0.000 1.114 1333 L CB -1.571 40.504 42.059 0.026 0.000 1.479 1333 L HN 0.430 nan 8.230 nan 0.000 0.451 1334 N N 3.070 121.776 118.700 0.010 0.000 2.455 1334 N HA 0.623 5.359 4.740 -0.006 0.000 0.280 1334 N C -0.448 175.053 175.510 -0.015 0.000 1.055 1334 N CA -0.240 52.807 53.050 -0.004 0.000 0.961 1334 N CB 0.869 39.354 38.487 -0.002 0.000 1.121 1334 N HN 0.344 nan 8.380 nan 0.000 0.476 1335 M N 0.880 120.459 119.600 -0.035 0.000 2.833 1335 M HA 0.422 4.898 4.480 -0.006 0.000 0.270 1335 M C -1.739 174.500 176.300 -0.102 0.000 1.209 1335 M CA -0.872 54.394 55.300 -0.057 0.000 0.826 1335 M CB 1.138 33.710 32.600 -0.047 0.000 1.657 1335 M HN -0.002 nan 8.290 nan 0.000 0.492 1336 I N 2.179 122.656 120.570 -0.156 0.000 2.342 1336 I HA 0.553 4.719 4.170 -0.006 0.000 0.291 1336 I C 0.857 176.714 176.117 -0.434 0.000 1.010 1336 I CA 0.185 61.336 61.300 -0.249 0.000 1.308 1336 I CB 0.375 38.233 38.000 -0.237 0.000 1.400 1336 I HN 0.891 nan 8.210 nan 0.000 0.488 1337 G N 4.196 112.804 108.800 -0.320 0.000 2.568 1337 G HA2 0.254 4.210 3.960 -0.006 0.000 0.293 1337 G HA3 0.254 4.210 3.960 -0.006 0.000 0.293 1337 G C 0.776 175.504 174.900 -0.286 0.000 1.347 1337 G CA -0.200 44.728 45.100 -0.286 0.000 1.039 1337 G HN 0.732 nan 8.290 nan 0.000 0.523 1338 E N -0.359 119.789 120.200 -0.088 0.000 2.160 1338 E HA -0.218 4.129 4.350 -0.006 0.000 0.195 1338 E C 1.495 178.104 176.600 0.016 0.000 0.991 1338 E CA 1.957 58.380 56.400 0.039 0.000 0.810 1338 E CB -0.160 29.553 29.700 0.023 0.000 0.742 1338 E HN 0.476 nan 8.360 nan 0.000 0.466 1339 D N -0.167 120.215 120.400 -0.030 0.000 2.351 1339 D HA -0.096 4.541 4.640 -0.006 0.000 0.216 1339 D C 1.498 177.785 176.300 -0.021 0.000 0.968 1339 D CA 1.030 55.015 54.000 -0.025 0.000 0.899 1339 D CB -0.482 40.298 40.800 -0.034 0.000 0.907 1339 D HN 0.461 nan 8.370 nan 0.000 0.514 1340 G N 0.658 109.443 108.800 -0.025 0.000 2.148 1340 G HA2 -0.330 3.626 3.960 -0.006 0.000 0.254 1340 G HA3 -0.330 3.626 3.960 -0.006 0.000 0.254 1340 G C 0.123 174.993 174.900 -0.050 0.000 0.981 1340 G CA 0.148 45.240 45.100 -0.013 0.000 0.670 1340 G HN 0.492 nan 8.290 nan 0.000 0.528 1341 R N 0.178 120.636 120.500 -0.070 0.000 2.711 1341 R HA 0.595 4.931 4.340 -0.006 0.000 0.284 1341 R C -2.837 173.412 176.300 -0.084 0.000 0.968 1341 R CA -2.173 53.885 56.100 -0.069 0.000 0.924 1341 R CB 1.826 32.093 30.300 -0.055 0.000 1.162 1341 R HN 0.068 nan 8.270 nan 0.000 0.465 1342 P HA 0.090 nan 4.420 nan 0.000 0.280 1342 P C -1.286 175.981 177.300 -0.054 0.000 1.244 1342 P CA -0.357 62.701 63.100 -0.070 0.000 0.784 1342 P CB 1.043 32.706 31.700 -0.061 0.000 0.913 1343 Q N 1.366 121.137 119.800 -0.050 0.000 2.511 1343 Q HA 0.522 4.859 4.340 -0.006 0.000 0.289 1343 Q C -1.664 174.323 176.000 -0.023 0.000 1.021 1343 Q CA -1.023 54.761 55.803 -0.033 0.000 0.785 1343 Q CB 2.238 30.955 28.738 -0.034 0.000 1.472 1343 Q HN 0.132 nan 8.270 nan 0.000 0.411 1344 V N 2.227 122.134 119.914 -0.011 0.000 2.427 1344 V HA 0.515 4.632 4.120 -0.006 0.000 0.286 1344 V C -0.766 175.327 176.094 -0.003 0.000 1.034 1344 V CA -0.395 61.903 62.300 -0.003 0.000 0.893 1344 V CB 1.406 33.232 31.823 0.006 0.000 0.982 1344 V HN 0.624 nan 8.190 nan 0.000 0.452 1345 K N 2.519 122.918 120.400 -0.001 0.000 2.482 1345 K HA 0.487 4.803 4.320 -0.006 0.000 0.251 1345 K C -0.234 176.367 176.600 0.001 0.000 0.936 1345 K CA -0.430 55.856 56.287 -0.002 0.000 0.791 1345 K CB 2.187 34.682 32.500 -0.007 0.000 1.213 1345 K HN 0.751 nan 8.250 nan 0.000 0.428 1346 S N 2.753 118.455 115.700 0.002 0.000 2.569 1346 S HA 0.030 4.497 4.470 -0.006 0.000 0.274 1346 S C 1.482 176.076 174.600 -0.010 0.000 1.353 1346 S CA -0.418 57.783 58.200 0.002 0.000 1.023 1346 S CB 0.279 63.481 63.200 0.004 0.000 0.876 1346 S HN 0.561 nan 8.310 nan 0.000 0.540 1347 I N 2.149 122.709 120.570 -0.017 0.000 2.315 1347 I HA -0.117 4.050 4.170 -0.006 0.000 0.248 1347 I C 2.744 178.831 176.117 -0.050 0.000 1.117 1347 I CA 1.532 62.801 61.300 -0.052 0.000 1.404 1347 I CB -1.160 36.801 38.000 -0.065 0.000 1.071 1347 I HN 0.850 nan 8.210 nan 0.000 0.419 1348 R N 1.337 121.822 120.500 -0.024 0.000 2.080 1348 R HA -0.176 4.160 4.340 -0.006 0.000 0.236 1348 R C 2.433 178.728 176.300 -0.008 0.000 1.137 1348 R CA 1.384 57.475 56.100 -0.015 0.000 0.943 1348 R CB -0.226 30.074 30.300 -0.001 0.000 0.846 1348 R HN 0.241 nan 8.270 nan 0.000 0.431 1349 R N 0.394 120.892 120.500 -0.003 0.000 2.094 1349 R HA -0.171 4.166 4.340 -0.006 0.000 0.239 1349 R C 2.452 178.760 176.300 0.013 0.000 1.137 1349 R CA 2.079 58.182 56.100 0.005 0.000 0.943 1349 R CB -0.664 29.638 30.300 0.003 0.000 0.850 1349 R HN 0.371 nan 8.270 nan 0.000 0.433 1350 I N 1.068 121.640 120.570 0.003 0.000 2.091 1350 I HA -0.357 3.810 4.170 -0.006 0.000 0.239 1350 I C 2.502 178.653 176.117 0.056 0.000 1.061 1350 I CA 1.546 62.856 61.300 0.017 0.000 1.317 1350 I CB -0.407 37.581 38.000 -0.020 0.000 1.031 1350 I HN 0.187 nan 8.210 nan 0.000 0.401 1351 L N 0.050 121.278 121.223 0.008 0.000 2.046 1351 L HA -0.236 4.100 4.340 -0.006 0.000 0.208 1351 L C 2.596 179.535 176.870 0.114 0.000 1.077 1351 L CA 1.346 56.203 54.840 0.029 0.000 0.747 1351 L CB -0.560 41.460 42.059 -0.065 0.000 0.896 1351 L HN 0.338 nan 8.230 nan 0.000 0.432 1352 L N -0.222 121.039 121.223 0.064 0.000 2.042 1352 L HA -0.250 4.087 4.340 -0.006 0.000 0.210 1352 L C 2.565 179.482 176.870 0.078 0.000 1.076 1352 L CA 1.558 56.435 54.840 0.061 0.000 0.749 1352 L CB -0.439 41.638 42.059 0.030 0.000 0.893 1352 L HN 0.381 nan 8.230 nan 0.000 0.432 1353 E N -0.797 119.451 120.200 0.081 0.000 2.274 1353 E HA -0.251 4.095 4.350 -0.006 0.000 0.194 1353 E C 2.082 178.743 176.600 0.102 0.000 0.996 1353 E CA 0.727 57.166 56.400 0.065 0.000 0.840 1353 E CB -0.058 29.669 29.700 0.045 0.000 0.772 1353 E HN 0.500 nan 8.360 nan 0.000 0.491 1354 W N 0.671 121.953 121.300 -0.029 0.000 2.494 1354 W HA 0.049 4.706 4.660 -0.006 0.000 0.286 1354 W C 1.622 178.126 176.519 -0.025 0.000 1.218 1354 W CA 0.738 58.068 57.345 -0.024 0.000 1.313 1354 W CB 0.020 29.462 29.460 -0.031 0.000 1.105 1354 W HN -0.021 nan 8.180 nan 0.000 0.561 1355 I N 0.927 121.654 120.570 0.262 0.000 2.163 1355 I HA -0.307 3.859 4.170 -0.006 0.000 0.243 1355 I C 2.136 178.195 176.117 -0.096 0.000 1.085 1355 I CA 1.433 62.799 61.300 0.110 0.000 1.347 1355 I CB -0.651 37.434 38.000 0.141 0.000 1.044 1355 I HN -0.084 nan 8.210 nan 0.000 0.408 1356 E N 0.523 120.686 120.200 -0.063 0.000 2.396 1356 E HA -0.147 4.200 4.350 -0.006 0.000 0.200 1356 E C 2.057 178.562 176.600 -0.158 0.000 1.023 1356 E CA 0.985 57.332 56.400 -0.088 0.000 0.857 1356 E CB -0.057 29.614 29.700 -0.049 0.000 0.775 1356 E HN 0.592 nan 8.360 nan 0.000 0.525 1357 I N -0.248 120.158 120.570 -0.273 0.000 2.628 1357 I HA -0.099 4.067 4.170 -0.006 0.000 0.255 1357 I C 2.361 178.204 176.117 -0.457 0.000 1.119 1357 I CA 0.226 61.317 61.300 -0.349 0.000 1.448 1357 I CB 0.098 37.843 38.000 -0.425 0.000 1.133 1357 I HN -0.011 nan 8.210 nan 0.000 0.438 1358 R N 1.828 121.913 120.500 -0.692 0.000 2.090 1358 R HA -0.093 4.243 4.340 -0.006 0.000 0.228 1358 R C 2.024 178.148 176.300 -0.294 0.000 1.110 1358 R CA 1.517 57.252 56.100 -0.610 0.000 0.973 1358 R CB -0.316 29.447 30.300 -0.895 0.000 0.869 1358 R HN 0.128 nan 8.270 nan 0.000 0.440 1359 K N 0.363 120.629 120.400 -0.224 0.000 2.000 1359 K HA -0.245 4.071 4.320 -0.006 0.000 0.218 1359 K C 2.020 178.549 176.600 -0.118 0.000 1.053 1359 K CA 2.249 58.461 56.287 -0.125 0.000 0.946 1359 K CB -0.285 32.159 32.500 -0.093 0.000 0.723 1359 K HN 0.115 nan 8.250 nan 0.000 0.446 1360 K N 0.290 120.611 120.400 -0.132 0.000 2.147 1360 K HA -0.131 4.186 4.320 -0.006 0.000 0.205 1360 K C 1.869 178.403 176.600 -0.110 0.000 1.049 1360 K CA 1.669 57.892 56.287 -0.106 0.000 0.936 1360 K CB 0.045 32.484 32.500 -0.102 0.000 0.722 1360 K HN 0.153 nan 8.250 nan 0.000 0.446 1361 T N 0.581 115.045 114.554 -0.150 0.000 2.698 1361 T HA -0.099 4.248 4.350 -0.006 0.000 0.260 1361 T C 1.889 176.533 174.700 -0.093 0.000 1.044 1361 T CA 1.429 63.448 62.100 -0.134 0.000 1.149 1361 T CB -0.206 68.556 68.868 -0.177 0.000 0.864 1361 T HN -0.013 nan 8.240 nan 0.000 0.419 1362 V N 1.830 121.690 119.914 -0.089 0.000 2.252 1362 V HA -0.259 3.857 4.120 -0.006 0.000 0.249 1362 V C 2.668 178.746 176.094 -0.026 0.000 1.056 1362 V CA 2.227 64.500 62.300 -0.045 0.000 1.022 1362 V CB -1.557 30.244 31.823 -0.038 0.000 0.641 1362 V HN 0.532 nan 8.190 nan 0.000 0.445 1363 T N 0.393 114.925 114.554 -0.036 0.000 2.428 1363 T HA -0.291 4.056 4.350 -0.006 0.000 0.248 1363 T C 1.976 176.669 174.700 -0.012 0.000 1.284 1363 T CA 2.138 64.225 62.100 -0.022 0.000 1.217 1363 T CB -0.446 68.403 68.868 -0.031 0.000 0.864 1363 T HN 0.358 nan 8.240 nan 0.000 0.402 1364 R N 0.778 121.263 120.500 -0.025 0.000 2.279 1364 R HA -0.250 4.087 4.340 -0.006 0.000 0.264 1364 R C 2.392 178.695 176.300 0.004 0.000 1.138 1364 R CA 2.125 58.215 56.100 -0.016 0.000 0.981 1364 R CB -0.908 29.369 30.300 -0.038 0.000 0.909 1364 R HN 0.519 nan 8.270 nan 0.000 0.462 1365 R N 0.852 121.347 120.500 -0.009 0.000 2.066 1365 R HA -0.028 4.308 4.340 -0.006 0.000 0.232 1365 R C 2.566 178.917 176.300 0.085 0.000 1.131 1365 R CA 1.180 57.276 56.100 -0.005 0.000 0.955 1365 R CB -0.205 30.091 30.300 -0.005 0.000 0.851 1365 R HN 0.208 nan 8.270 nan 0.000 0.432 1366 L N 0.776 122.051 121.223 0.086 0.000 2.083 1366 L HA -0.189 4.147 4.340 -0.006 0.000 0.209 1366 L C 2.635 179.558 176.870 0.087 0.000 1.083 1366 L CA 1.427 56.332 54.840 0.108 0.000 0.752 1366 L CB -0.588 41.509 42.059 0.064 0.000 0.899 1366 L HN 0.333 nan 8.230 nan 0.000 0.433 1367 Q N -0.815 119.019 119.800 0.057 0.000 2.124 1367 Q HA -0.258 4.079 4.340 -0.006 0.000 0.202 1367 Q C 2.085 178.111 176.000 0.043 0.000 0.977 1367 Q CA 1.984 57.810 55.803 0.037 0.000 0.850 1367 Q CB -0.402 28.350 28.738 0.023 0.000 0.901 1367 Q HN 0.550 nan 8.270 nan 0.000 0.429 1368 Y N 0.969 121.224 120.300 -0.075 0.000 2.109 1368 Y HA -0.251 4.296 4.550 -0.006 0.000 0.285 1368 Y C 2.326 178.165 175.900 -0.101 0.000 1.131 1368 Y CA 1.782 59.804 58.100 -0.129 0.000 1.121 1368 Y CB -0.315 38.007 38.460 -0.230 0.000 0.987 1368 Y HN 0.121 nan 8.280 nan 0.000 0.495 1369 H N -0.028 119.082 119.070 0.066 0.000 2.352 1369 H HA -0.167 4.386 4.556 -0.006 0.000 0.299 1369 H C 2.221 177.480 175.328 -0.115 0.000 1.097 1369 H CA 1.686 57.694 56.048 -0.065 0.000 1.311 1369 H CB -0.717 29.103 29.762 0.097 0.000 1.377 1369 H HN 0.429 nan 8.280 nan 0.000 0.504 1370 L N 1.753 123.011 121.223 0.059 0.000 1.933 1370 L HA -0.202 4.134 4.340 -0.006 0.000 0.220 1370 L C 1.635 178.471 176.870 -0.055 0.000 1.078 1370 L CA 1.777 56.618 54.840 0.002 0.000 0.773 1370 L CB -1.075 40.987 42.059 0.007 0.000 0.890 1370 L HN 0.130 nan 8.230 nan 0.000 0.434 1371 N N -0.118 118.532 118.700 -0.082 0.000 2.661 1371 N HA -0.193 4.544 4.740 -0.006 0.000 0.196 1371 N C 1.717 177.138 175.510 -0.147 0.000 1.129 1371 N CA 0.985 53.971 53.050 -0.107 0.000 0.938 1371 N CB -0.217 38.209 38.487 -0.102 0.000 0.966 1371 N HN 0.526 nan 8.380 nan 0.000 0.450 1372 R N -0.390 120.001 120.500 -0.181 0.000 2.164 1372 R HA 0.287 4.624 4.340 -0.006 0.000 0.198 1372 R C 2.186 178.432 176.300 -0.090 0.000 1.028 1372 R CA -0.016 55.979 56.100 -0.174 0.000 1.083 1372 R CB 0.081 30.219 30.300 -0.271 0.000 1.026 1372 R HN 0.096 nan 8.270 nan 0.000 0.514 1373 I N 1.423 121.954 120.570 -0.066 0.000 2.118 1373 I HA -0.309 3.858 4.170 -0.006 0.000 0.241 1373 I C 1.957 178.056 176.117 -0.030 0.000 1.070 1373 I CA 1.654 62.931 61.300 -0.039 0.000 1.327 1373 I CB -0.326 37.657 38.000 -0.028 0.000 1.034 1373 I HN 0.214 nan 8.210 nan 0.000 0.405 1374 E N 1.064 121.245 120.200 -0.032 0.000 2.033 1374 E HA -0.271 4.076 4.350 -0.006 0.000 0.199 1374 E C 2.206 178.805 176.600 -0.001 0.000 1.011 1374 E CA 1.517 57.906 56.400 -0.018 0.000 0.815 1374 E CB -0.143 29.538 29.700 -0.032 0.000 0.755 1374 E HN 0.388 nan 8.360 nan 0.000 0.451 1375 K N 0.313 120.695 120.400 -0.029 0.000 2.127 1375 K HA -0.243 4.073 4.320 -0.006 0.000 0.208 1375 K C 2.260 178.883 176.600 0.038 0.000 1.047 1375 K CA 1.440 57.719 56.287 -0.013 0.000 0.927 1375 K CB -0.145 32.326 32.500 -0.048 0.000 0.716 1375 K HN -0.079 nan 8.250 nan 0.000 0.450 1376 R N 1.508 122.012 120.500 0.007 0.000 2.062 1376 R HA -0.010 4.327 4.340 -0.006 0.000 0.229 1376 R C 2.056 178.364 176.300 0.013 0.000 1.128 1376 R CA 1.146 57.249 56.100 0.005 0.000 0.960 1376 R CB -0.742 29.547 30.300 -0.018 0.000 0.855 1376 R HN 0.114 nan 8.270 nan 0.000 0.432 1377 L N 0.040 121.270 121.223 0.012 0.000 2.051 1377 L HA -0.271 4.065 4.340 -0.006 0.000 0.214 1377 L C 2.410 179.298 176.870 0.031 0.000 1.076 1377 L CA 2.068 56.912 54.840 0.007 0.000 0.758 1377 L CB -0.567 41.495 42.059 0.006 0.000 0.890 1377 L HN 0.452 nan 8.230 nan 0.000 0.433 1378 H N -0.438 118.613 119.070 -0.032 0.000 2.387 1378 H HA -0.167 4.385 4.556 -0.006 0.000 0.299 1378 H C 2.049 177.363 175.328 -0.024 0.000 1.090 1378 H CA 1.611 57.644 56.048 -0.025 0.000 1.332 1378 H CB 0.242 29.989 29.762 -0.024 0.000 1.386 1378 H HN 0.112 nan 8.280 nan 0.000 0.516 1379 I N 0.239 120.806 120.570 -0.006 0.000 2.233 1379 I HA -0.205 3.962 4.170 -0.006 0.000 0.243 1379 I C 2.361 178.423 176.117 -0.090 0.000 1.093 1379 I CA 0.884 62.148 61.300 -0.060 0.000 1.380 1379 I CB -1.106 36.892 38.000 -0.003 0.000 1.067 1379 I HN 0.360 nan 8.210 nan 0.000 0.413 1380 L N 0.552 121.734 121.223 -0.067 0.000 2.127 1380 L HA -0.221 4.115 4.340 -0.006 0.000 0.211 1380 L C 2.745 179.565 176.870 -0.083 0.000 1.089 1380 L CA 1.189 55.986 54.840 -0.072 0.000 0.757 1380 L CB -0.884 41.136 42.059 -0.065 0.000 0.899 1380 L HN 0.193 nan 8.230 nan 0.000 0.434 1381 A N 1.056 123.812 122.820 -0.106 0.000 1.844 1381 A HA -0.201 4.115 4.320 -0.006 0.000 0.214 1381 A C 2.391 179.910 177.584 -0.109 0.000 1.217 1381 A CA 1.924 53.895 52.037 -0.111 0.000 0.644 1381 A CB -1.628 17.279 19.000 -0.155 0.000 0.850 1381 A HN 0.399 nan 8.150 nan 0.000 0.456 1382 G N -0.932 107.766 108.800 -0.170 0.000 2.605 1382 G HA2 -0.212 3.744 3.960 -0.006 0.000 0.222 1382 G HA3 -0.212 3.744 3.960 -0.006 0.000 0.222 1382 G C 1.456 176.293 174.900 -0.104 0.000 1.092 1382 G CA 1.256 46.274 45.100 -0.137 0.000 0.730 1382 G HN 0.417 nan 8.290 nan 0.000 0.588 1383 L N -0.388 120.793 121.223 -0.070 0.000 2.022 1383 L HA 0.017 4.354 4.340 -0.006 0.000 0.204 1383 L C 2.590 179.524 176.870 0.107 0.000 1.076 1383 L CA 0.787 55.629 54.840 0.003 0.000 0.749 1383 L CB -0.344 41.723 42.059 0.013 0.000 0.903 1383 L HN 0.293 nan 8.230 nan 0.000 0.439 1384 L N -2.116 119.137 121.223 0.050 0.000 2.551 1384 L HA -0.044 4.293 4.340 -0.006 0.000 0.228 1384 L C 2.001 178.928 176.870 0.095 0.000 1.153 1384 L CA 1.307 56.189 54.840 0.070 0.000 0.851 1384 L CB -1.110 40.896 42.059 -0.088 0.000 0.959 1384 L HN 0.144 nan 8.230 nan 0.000 0.451 1385 I N 0.529 121.125 120.570 0.043 0.000 2.315 1385 I HA -0.235 3.932 4.170 -0.006 0.000 0.248 1385 I C 2.644 178.778 176.117 0.029 0.000 1.117 1385 I CA 1.145 62.477 61.300 0.052 0.000 1.404 1385 I CB -0.187 37.831 38.000 0.029 0.000 1.071 1385 I HN 0.434 nan 8.210 nan 0.000 0.419 1386 A N -0.178 122.572 122.820 -0.117 0.000 1.898 1386 A HA -0.192 4.124 4.320 -0.006 0.000 0.214 1386 A C 2.062 179.600 177.584 -0.077 0.000 1.183 1386 A CA 0.912 52.766 52.037 -0.305 0.000 0.622 1386 A CB -0.939 17.797 19.000 -0.439 0.000 0.824 1386 A HN 0.360 nan 8.150 nan 0.000 0.444 1387 Y N 0.742 121.004 120.300 -0.064 0.000 2.228 1387 Y HA -0.300 4.247 4.550 -0.006 0.000 0.285 1387 Y C 2.099 178.013 175.900 0.024 0.000 1.178 1387 Y CA 1.612 59.703 58.100 -0.016 0.000 1.202 1387 Y CB -0.575 37.875 38.460 -0.016 0.000 0.974 1387 Y HN 0.252 nan 8.280 nan 0.000 0.527 1388 L N -0.530 120.803 121.223 0.183 0.000 1.924 1388 L HA -0.240 4.096 4.340 -0.006 0.000 0.222 1388 L C 1.287 178.243 176.870 0.142 0.000 1.081 1388 L CA 1.673 56.604 54.840 0.152 0.000 0.780 1388 L CB -0.580 41.577 42.059 0.163 0.000 0.891 1388 L HN 0.056 nan 8.230 nan 0.000 0.434 1389 D N 0.089 120.615 120.400 0.211 0.000 3.110 1389 D HA 0.056 4.693 4.640 -0.006 0.000 0.254 1389 D C 1.201 177.614 176.300 0.188 0.000 1.283 1389 D CA -0.027 54.105 54.000 0.220 0.000 0.944 1389 D CB 0.153 41.136 40.800 0.306 0.000 1.066 1389 D HN 0.176 nan 8.370 nan 0.000 0.496 1390 I N 0.210 120.812 120.570 0.052 0.000 2.361 1390 I HA -0.195 3.972 4.170 -0.006 0.000 0.251 1390 I C 0.754 176.861 176.117 -0.017 0.000 1.133 1390 I CA 1.214 62.481 61.300 -0.055 0.000 1.413 1390 I CB 0.179 38.080 38.000 -0.165 0.000 1.073 1390 I HN 0.061 nan 8.210 nan 0.000 0.424 1391 D N 0.503 120.912 120.400 0.016 0.000 2.144 1391 D HA -0.136 4.501 4.640 -0.006 0.000 0.200 1391 D C 2.075 178.386 176.300 0.018 0.000 0.978 1391 D CA 1.464 55.469 54.000 0.008 0.000 0.833 1391 D CB -0.112 40.694 40.800 0.011 0.000 0.961 1391 D HN 0.283 nan 8.370 nan 0.000 0.470 1392 T N 0.354 114.940 114.554 0.054 0.000 2.720 1392 T HA -0.105 4.241 4.350 -0.006 0.000 0.268 1392 T C 2.180 176.910 174.700 0.050 0.000 1.037 1392 T CA 0.635 62.749 62.100 0.023 0.000 1.144 1392 T CB -0.236 68.635 68.868 0.004 0.000 0.864 1392 T HN -0.039 nan 8.240 nan 0.000 0.444 1393 V N 1.488 121.475 119.914 0.121 0.000 2.332 1393 V HA -0.175 3.942 4.120 -0.006 0.000 0.248 1393 V C 2.312 178.403 176.094 -0.006 0.000 1.055 1393 V CA 1.613 63.945 62.300 0.055 0.000 1.038 1393 V CB -0.547 31.226 31.823 -0.083 0.000 0.651 1393 V HN 0.533 nan 8.190 nan 0.000 0.450 1394 I N -0.735 119.823 120.570 -0.021 0.000 2.286 1394 I HA -0.168 3.999 4.170 -0.006 0.000 0.245 1394 I C 2.702 178.804 176.117 -0.024 0.000 1.104 1394 I CA 1.355 62.636 61.300 -0.030 0.000 1.397 1394 I CB -0.538 37.441 38.000 -0.035 0.000 1.072 1394 I HN 0.222 nan 8.210 nan 0.000 0.417 1395 R N 1.807 122.294 120.500 -0.023 0.000 2.073 1395 R HA -0.149 4.187 4.340 -0.006 0.000 0.234 1395 R C 2.344 178.625 176.300 -0.031 0.000 1.134 1395 R CA 1.586 57.670 56.100 -0.028 0.000 0.952 1395 R CB -0.241 30.038 30.300 -0.034 0.000 0.850 1395 R HN 0.286 nan 8.270 nan 0.000 0.433 1396 I N 1.063 121.611 120.570 -0.037 0.000 2.264 1396 I HA -0.292 3.874 4.170 -0.006 0.000 0.248 1396 I C 2.891 178.998 176.117 -0.017 0.000 1.111 1396 I CA 1.632 62.910 61.300 -0.036 0.000 1.382 1396 I CB -0.450 37.531 38.000 -0.033 0.000 1.060 1396 I HN 0.282 nan 8.210 nan 0.000 0.418 1397 I N 0.877 121.438 120.570 -0.014 0.000 2.286 1397 I HA -0.146 4.021 4.170 -0.006 0.000 0.245 1397 I C 3.072 179.180 176.117 -0.014 0.000 1.104 1397 I CA 2.229 63.522 61.300 -0.012 0.000 1.397 1397 I CB -1.912 36.078 38.000 -0.017 0.000 1.072 1397 I HN 0.322 nan 8.210 nan 0.000 0.417 1398 R N 0.489 120.979 120.500 -0.017 0.000 2.152 1398 R HA -0.129 4.208 4.340 -0.006 0.000 0.232 1398 R C 1.960 178.251 176.300 -0.015 0.000 1.117 1398 R CA 1.600 57.690 56.100 -0.016 0.000 0.981 1398 R CB -1.172 29.118 30.300 -0.018 0.000 0.870 1398 R HN 0.841 nan 8.270 nan 0.000 0.451 1399 E N -0.108 120.082 120.200 -0.017 0.000 2.216 1399 E HA 0.038 4.385 4.350 -0.006 0.000 0.192 1399 E C -0.025 176.568 176.600 -0.013 0.000 0.973 1399 E CA 0.131 56.521 56.400 -0.017 0.000 0.851 1399 E CB 0.341 30.027 29.700 -0.023 0.000 0.804 1399 E HN 0.533 nan 8.360 nan 0.000 0.477 1400 E N -0.008 120.185 120.200 -0.011 0.000 2.254 1400 E HA 0.184 4.531 4.350 -0.006 0.000 0.261 1400 E C 0.686 177.284 176.600 -0.004 0.000 1.051 1400 E CA 0.415 56.811 56.400 -0.007 0.000 0.902 1400 E CB 0.671 30.369 29.700 -0.003 0.000 1.168 1400 E HN 0.152 nan 8.360 nan 0.000 0.423 1401 D N 1.002 121.401 120.400 -0.002 0.000 2.087 1401 D HA -0.110 4.527 4.640 -0.006 0.000 0.201 1401 D C 0.249 176.548 176.300 -0.000 0.000 0.980 1401 D CA 1.090 55.090 54.000 -0.002 0.000 0.849 1401 D CB -0.188 40.611 40.800 -0.001 0.000 1.001 1401 D HN 0.348 nan 8.370 nan 0.000 0.452 1402 Q N 0.020 119.822 119.800 0.002 0.000 2.381 1402 Q HA 0.445 4.781 4.340 -0.006 0.000 0.263 1402 Q C -2.356 173.649 176.000 0.008 0.000 1.030 1402 Q CA -1.608 54.198 55.803 0.004 0.000 0.772 1402 Q CB 2.350 31.091 28.738 0.005 0.000 1.232 1402 Q HN 0.134 nan 8.270 nan 0.000 0.476 1403 P HA -0.212 nan 4.420 nan 0.000 0.222 1403 P C 1.292 178.606 177.300 0.025 0.000 1.147 1403 P CA 1.503 64.610 63.100 0.013 0.000 0.790 1403 P CB 0.192 31.896 31.700 0.006 0.000 0.780 1404 K N 0.425 120.837 120.400 0.021 0.000 2.020 1404 K HA -0.148 4.169 4.320 -0.006 0.000 0.212 1404 K C -0.051 176.575 176.600 0.043 0.000 1.050 1404 K CA 2.356 58.660 56.287 0.028 0.000 0.929 1404 K CB -2.836 29.676 32.500 0.020 0.000 0.714 1404 K HN 0.299 nan 8.250 nan 0.000 0.443 1405 P HA -0.090 nan 4.420 nan 0.000 0.217 1405 P C 1.611 178.946 177.300 0.059 0.000 1.150 1405 P CA 0.926 64.051 63.100 0.042 0.000 0.832 1405 P CB -0.023 31.695 31.700 0.030 0.000 0.787 1406 V N -0.011 119.938 119.914 0.059 0.000 2.223 1406 V HA -0.243 3.873 4.120 -0.006 0.000 0.244 1406 V C 2.564 178.742 176.094 0.140 0.000 1.045 1406 V CA 1.692 64.037 62.300 0.075 0.000 1.000 1406 V CB -1.380 30.468 31.823 0.042 0.000 0.635 1406 V HN 0.020 nan 8.190 nan 0.000 0.445 1407 L N -1.033 120.285 121.223 0.158 0.000 2.034 1407 L HA -0.344 3.993 4.340 -0.006 0.000 0.217 1407 L C 2.621 179.680 176.870 0.315 0.000 1.077 1407 L CA 2.146 57.163 54.840 0.294 0.000 0.769 1407 L CB -0.613 41.545 42.059 0.165 0.000 0.890 1407 L HN 0.354 nan 8.230 nan 0.000 0.435 1408 M N -0.906 118.798 119.600 0.173 0.000 2.073 1408 M HA -0.245 4.231 4.480 -0.006 0.000 0.258 1408 M C 2.240 178.618 176.300 0.129 0.000 1.070 1408 M CA 1.863 57.244 55.300 0.135 0.000 1.103 1408 M CB -0.602 32.048 32.600 0.084 0.000 1.321 1408 M HN 0.271 nan 8.290 nan 0.000 0.405 1409 E N -1.012 119.252 120.200 0.107 0.000 2.072 1409 E HA -0.234 4.112 4.350 -0.006 0.000 0.191 1409 E C 1.875 178.508 176.600 0.055 0.000 0.985 1409 E CA 1.412 57.854 56.400 0.069 0.000 0.801 1409 E CB -0.334 29.399 29.700 0.054 0.000 0.750 1409 E HN 0.593 nan 8.360 nan 0.000 0.452 1410 H N -0.639 118.427 119.070 -0.006 0.000 2.357 1410 H HA -0.070 4.483 4.556 -0.006 0.000 0.301 1410 H C 1.237 176.412 175.328 -0.256 0.000 1.082 1410 H CA 1.461 57.421 56.048 -0.147 0.000 1.342 1410 H CB 0.074 29.709 29.762 -0.211 0.000 1.389 1410 H HN 0.031 nan 8.280 nan 0.000 0.511 1411 F N -0.543 119.455 119.950 0.080 0.000 2.695 1411 F HA 0.191 4.714 4.527 -0.006 0.000 0.303 1411 F C 0.656 176.451 175.800 -0.008 0.000 1.091 1411 F CA 0.004 58.020 58.000 0.028 0.000 1.300 1411 F CB 0.190 39.237 39.000 0.079 0.000 1.071 1411 F HN 0.070 nan 8.300 nan 0.000 0.578 1412 N N 1.894 120.673 118.700 0.132 0.000 2.681 1412 N HA -0.209 4.527 4.740 -0.006 0.000 0.259 1412 N C -0.856 174.708 175.510 0.091 0.000 1.066 1412 N CA 0.838 53.935 53.050 0.079 0.000 0.717 1412 N CB -1.170 37.338 38.487 0.035 0.000 0.885 1412 N HN 0.551 nan 8.380 nan 0.000 0.547 1413 I N -2.801 117.830 120.570 0.101 0.000 2.894 1413 I HA 0.650 4.817 4.170 -0.006 0.000 0.302 1413 I C -0.001 176.158 176.117 0.070 0.000 1.188 1413 I CA -1.143 60.195 61.300 0.064 0.000 1.014 1413 I CB 1.997 40.014 38.000 0.030 0.000 1.242 1413 I HN -0.041 nan 8.210 nan 0.000 0.430 1414 D N 3.087 123.534 120.400 0.078 0.000 2.447 1414 D HA 0.336 4.973 4.640 -0.006 0.000 0.265 1414 D C 1.188 177.529 176.300 0.069 0.000 1.250 1414 D CA 0.319 54.370 54.000 0.086 0.000 1.046 1414 D CB 0.382 41.255 40.800 0.123 0.000 1.095 1414 D HN 0.768 nan 8.370 nan 0.000 0.555 1415 E N -0.213 120.021 120.200 0.056 0.000 2.085 1415 E HA -0.171 4.176 4.350 -0.006 0.000 0.194 1415 E C 2.015 178.640 176.600 0.041 0.000 0.994 1415 E CA 2.108 58.532 56.400 0.040 0.000 0.801 1415 E CB -1.109 28.608 29.700 0.028 0.000 0.743 1415 E HN 0.561 nan 8.360 nan 0.000 0.453 1416 I N 1.016 121.621 120.570 0.059 0.000 2.127 1416 I HA -0.288 3.879 4.170 -0.006 0.000 0.241 1416 I C 2.829 178.982 176.117 0.061 0.000 1.075 1416 I CA 2.015 63.355 61.300 0.067 0.000 1.334 1416 I CB -0.419 37.644 38.000 0.104 0.000 1.040 1416 I HN 0.314 nan 8.210 nan 0.000 0.405 1417 Q N 0.188 120.026 119.800 0.062 0.000 2.172 1417 Q HA -0.054 4.283 4.340 -0.006 0.000 0.200 1417 Q C 2.438 178.424 176.000 -0.023 0.000 0.964 1417 Q CA 1.287 57.084 55.803 -0.011 0.000 0.855 1417 Q CB -0.314 28.374 28.738 -0.083 0.000 0.918 1417 Q HN 0.604 nan 8.270 nan 0.000 0.444 1418 A N 1.299 124.119 122.820 -0.000 0.000 1.851 1418 A HA -0.287 4.029 4.320 -0.006 0.000 0.216 1418 A C 1.973 179.550 177.584 -0.011 0.000 1.195 1418 A CA 1.819 53.853 52.037 -0.005 0.000 0.622 1418 A CB -0.636 18.375 19.000 0.019 0.000 0.831 1418 A HN 0.308 nan 8.150 nan 0.000 0.444 1419 E N 0.046 120.248 120.200 0.002 0.000 2.097 1419 E HA -0.171 4.176 4.350 -0.006 0.000 0.196 1419 E C 2.042 178.639 176.600 -0.004 0.000 1.000 1419 E CA 1.830 58.230 56.400 0.001 0.000 0.804 1419 E CB -0.504 29.201 29.700 0.008 0.000 0.740 1419 E HN 0.514 nan 8.360 nan 0.000 0.454 1420 A N 0.468 123.284 122.820 -0.006 0.000 1.892 1420 A HA -0.219 4.098 4.320 -0.006 0.000 0.218 1420 A C 2.364 179.939 177.584 -0.015 0.000 1.188 1420 A CA 1.918 53.950 52.037 -0.009 0.000 0.631 1420 A CB -0.846 18.145 19.000 -0.016 0.000 0.822 1420 A HN 0.377 nan 8.150 nan 0.000 0.447 1421 I N -0.713 119.833 120.570 -0.039 0.000 2.179 1421 I HA -0.247 3.920 4.170 -0.006 0.000 0.242 1421 I C 2.368 178.459 176.117 -0.043 0.000 1.088 1421 I CA 1.164 62.427 61.300 -0.061 0.000 1.357 1421 I CB -0.457 37.471 38.000 -0.120 0.000 1.051 1421 I HN 0.261 nan 8.210 nan 0.000 0.409 1422 L N 0.357 121.559 121.223 -0.034 0.000 2.189 1422 L HA -0.204 4.133 4.340 -0.006 0.000 0.214 1422 L C 1.335 178.200 176.870 -0.008 0.000 1.097 1422 L CA 1.148 55.974 54.840 -0.022 0.000 0.764 1422 L CB -0.255 41.796 42.059 -0.014 0.000 0.900 1422 L HN 0.183 nan 8.230 nan 0.000 0.436 1423 E N -0.101 120.100 120.200 0.002 0.000 2.411 1423 E HA 0.168 4.515 4.350 -0.006 0.000 0.228 1423 E C -0.817 175.813 176.600 0.051 0.000 1.169 1423 E CA -0.169 56.243 56.400 0.020 0.000 1.421 1423 E CB 0.210 29.922 29.700 0.020 0.000 1.333 1423 E HN -0.024 nan 8.360 nan 0.000 0.434 1424 L N 0.786 122.040 121.223 0.050 0.000 2.257 1424 L HA 0.424 4.761 4.340 -0.006 0.000 0.290 1424 L C 0.051 176.989 176.870 0.114 0.000 1.044 1424 L CA -0.298 54.623 54.840 0.134 0.000 0.810 1424 L CB 0.336 42.437 42.059 0.070 0.000 1.193 1424 L HN 0.011 nan 8.230 nan 0.000 0.425 1425 K N 4.413 124.899 120.400 0.144 0.000 2.382 1425 K HA 0.176 4.493 4.320 -0.006 0.000 0.275 1425 K C 1.043 177.508 176.600 -0.225 0.000 1.009 1425 K CA 0.077 56.264 56.287 -0.167 0.000 0.970 1425 K CB -0.106 32.149 32.500 -0.408 0.000 0.934 1425 K HN 0.813 nan 8.250 nan 0.000 0.479 1426 L N 1.239 122.369 121.223 -0.155 0.000 2.127 1426 L HA -0.243 4.094 4.340 -0.006 0.000 0.211 1426 L C 2.917 179.713 176.870 -0.123 0.000 1.089 1426 L CA 2.402 57.177 54.840 -0.108 0.000 0.757 1426 L CB -0.280 41.732 42.059 -0.078 0.000 0.899 1426 L HN 0.971 nan 8.230 nan 0.000 0.434 1427 R N -0.952 119.418 120.500 -0.216 0.000 2.200 1427 R HA -0.187 4.150 4.340 -0.006 0.000 0.234 1427 R C 1.680 177.938 176.300 -0.071 0.000 1.127 1427 R CA 1.336 57.337 56.100 -0.166 0.000 0.989 1427 R CB -0.627 29.550 30.300 -0.206 0.000 0.869 1427 R HN 0.425 nan 8.270 nan 0.000 0.459 1428 H N 0.656 119.752 119.070 0.043 0.000 2.555 1428 H HA 0.120 4.673 4.556 -0.006 0.000 0.269 1428 H C 1.781 177.195 175.328 0.143 0.000 0.988 1428 H CA 0.457 56.565 56.048 0.101 0.000 1.178 1428 H CB 0.169 30.002 29.762 0.118 0.000 1.373 1428 H HN 0.223 nan 8.280 nan 0.000 0.588 1429 L N 0.214 121.514 121.223 0.129 0.000 2.395 1429 L HA 0.118 4.454 4.340 -0.006 0.000 0.218 1429 L C 1.285 178.225 176.870 0.116 0.000 1.130 1429 L CA 0.036 54.911 54.840 0.058 0.000 0.826 1429 L CB -0.437 41.605 42.059 -0.029 0.000 0.941 1429 L HN 0.106 nan 8.230 nan 0.000 0.451 1430 A N 0.458 123.347 122.820 0.115 0.000 2.483 1430 A HA 0.280 4.597 4.320 -0.006 0.000 0.238 1430 A C 1.523 179.183 177.584 0.127 0.000 1.070 1430 A CA 0.724 52.819 52.037 0.096 0.000 0.770 1430 A CB 0.304 19.344 19.000 0.067 0.000 1.008 1430 A HN 0.304 nan 8.150 nan 0.000 0.497 1431 K N 1.513 121.965 120.400 0.088 0.000 2.147 1431 K HA -0.042 4.275 4.320 -0.006 0.000 0.205 1431 K C 1.689 178.316 176.600 0.044 0.000 1.049 1431 K CA 1.855 58.188 56.287 0.076 0.000 0.936 1431 K CB -1.120 31.410 32.500 0.050 0.000 0.722 1431 K HN 0.681 nan 8.250 nan 0.000 0.446 1432 L N 0.444 121.690 121.223 0.038 0.000 1.989 1432 L HA -0.179 4.157 4.340 -0.006 0.000 0.211 1432 L C 2.670 179.547 176.870 0.012 0.000 1.071 1432 L CA 1.429 56.280 54.840 0.018 0.000 0.749 1432 L CB -0.296 41.775 42.059 0.021 0.000 0.890 1432 L HN 0.377 nan 8.230 nan 0.000 0.431 1433 E N -0.287 119.944 120.200 0.052 0.000 2.409 1433 E HA -0.220 4.127 4.350 -0.006 0.000 0.198 1433 E C 1.867 178.439 176.600 -0.047 0.000 1.024 1433 E CA 0.675 57.107 56.400 0.054 0.000 0.861 1433 E CB 0.129 29.940 29.700 0.186 0.000 0.788 1433 E HN 0.548 nan 8.360 nan 0.000 0.521 1434 E N 0.477 120.622 120.200 -0.092 0.000 2.014 1434 E HA -0.163 4.184 4.350 -0.006 0.000 0.190 1434 E C 2.380 178.808 176.600 -0.286 0.000 0.980 1434 E CA 1.260 57.415 56.400 -0.407 0.000 0.807 1434 E CB -0.083 29.404 29.700 -0.356 0.000 0.770 1434 E HN 0.147 nan 8.360 nan 0.000 0.451 1435 M N 0.935 120.449 119.600 -0.143 0.000 2.195 1435 M HA -0.167 4.310 4.480 -0.006 0.000 0.260 1435 M C 1.998 178.255 176.300 -0.070 0.000 1.066 1435 M CA 2.589 57.834 55.300 -0.091 0.000 1.089 1435 M CB -1.350 31.222 32.600 -0.047 0.000 1.377 1435 M HN 0.248 nan 8.290 nan 0.000 0.411 1436 E N 0.921 121.075 120.200 -0.075 0.000 2.051 1436 E HA -0.160 4.187 4.350 -0.006 0.000 0.192 1436 E C 1.739 178.313 176.600 -0.043 0.000 0.991 1436 E CA 2.148 58.519 56.400 -0.049 0.000 0.799 1436 E CB -0.523 29.150 29.700 -0.046 0.000 0.748 1436 E HN 0.901 nan 8.360 nan 0.000 0.449 1437 I N -2.609 117.891 120.570 -0.117 0.000 3.291 1437 I HA 0.068 4.234 4.170 -0.006 0.000 0.279 1437 I C 2.145 178.200 176.117 -0.103 0.000 1.294 1437 I CA 0.968 62.195 61.300 -0.121 0.000 1.428 1437 I CB -0.204 37.685 38.000 -0.184 0.000 1.070 1437 I HN 0.043 nan 8.210 nan 0.000 0.478 1438 R N 0.784 121.228 120.500 -0.092 0.000 2.052 1438 R HA -0.154 4.183 4.340 -0.006 0.000 0.226 1438 R C 2.138 178.423 176.300 -0.025 0.000 1.145 1438 R CA 1.790 57.849 56.100 -0.069 0.000 0.952 1438 R CB -2.045 28.216 30.300 -0.065 0.000 0.847 1438 R HN 0.713 nan 8.270 nan 0.000 0.431 1439 H N 0.581 119.607 119.070 -0.073 0.000 2.292 1439 H HA -0.202 4.351 4.556 -0.006 0.000 0.292 1439 H C 2.154 177.450 175.328 -0.053 0.000 1.100 1439 H CA 2.635 58.650 56.048 -0.055 0.000 1.238 1439 H CB -0.175 29.558 29.762 -0.049 0.000 1.355 1439 H HN 0.688 nan 8.280 nan 0.000 0.484 1440 E N -0.330 119.882 120.200 0.019 0.000 2.209 1440 E HA -0.298 4.049 4.350 -0.006 0.000 0.196 1440 E C 2.338 178.877 176.600 -0.102 0.000 0.993 1440 E CA 1.290 57.668 56.400 -0.037 0.000 0.819 1440 E CB -0.130 29.569 29.700 -0.002 0.000 0.745 1440 E HN 0.738 nan 8.360 nan 0.000 0.477 1441 Q N 0.081 119.822 119.800 -0.098 0.000 2.079 1441 Q HA -0.180 4.156 4.340 -0.006 0.000 0.200 1441 Q C 1.497 177.427 176.000 -0.117 0.000 0.974 1441 Q CA 1.730 57.478 55.803 -0.092 0.000 0.840 1441 Q CB 0.118 28.809 28.738 -0.078 0.000 0.898 1441 Q HN 0.296 nan 8.270 nan 0.000 0.430 1442 D N 0.507 120.808 120.400 -0.165 0.000 2.084 1442 D HA -0.169 4.468 4.640 -0.006 0.000 0.194 1442 D C 1.658 177.833 176.300 -0.209 0.000 0.990 1442 D CA 1.190 55.080 54.000 -0.184 0.000 0.826 1442 D CB -0.257 40.414 40.800 -0.216 0.000 0.971 1442 D HN 0.347 nan 8.370 nan 0.000 0.453 1443 E N 0.589 120.596 120.200 -0.322 0.000 2.063 1443 E HA -0.216 4.131 4.350 -0.006 0.000 0.221 1443 E C 2.376 178.899 176.600 -0.127 0.000 1.052 1443 E CA 0.960 57.220 56.400 -0.234 0.000 0.891 1443 E CB -0.332 29.243 29.700 -0.209 0.000 0.792 1443 E HN 0.210 nan 8.360 nan 0.000 0.482 1444 L N 0.651 121.811 121.223 -0.104 0.000 2.021 1444 L HA -0.249 4.087 4.340 -0.006 0.000 0.215 1444 L C 2.687 179.520 176.870 -0.061 0.000 1.074 1444 L CA 1.351 56.149 54.840 -0.070 0.000 0.760 1444 L CB -0.930 41.095 42.059 -0.058 0.000 0.889 1444 L HN 0.170 nan 8.230 nan 0.000 0.433 1445 S N -0.544 115.116 115.700 -0.067 0.000 2.380 1445 S HA -0.256 4.211 4.470 -0.006 0.000 0.229 1445 S C 2.039 176.611 174.600 -0.047 0.000 1.043 1445 S CA 1.584 59.753 58.200 -0.053 0.000 1.038 1445 S CB -0.139 63.026 63.200 -0.058 0.000 0.872 1445 S HN 0.548 nan 8.310 nan 0.000 0.456 1446 A N 1.139 123.924 122.820 -0.057 0.000 1.854 1446 A HA 0.034 4.350 4.320 -0.006 0.000 0.214 1446 A C 2.214 179.775 177.584 -0.038 0.000 1.192 1446 A CA 2.181 54.189 52.037 -0.047 0.000 0.611 1446 A CB -1.332 17.635 19.000 -0.055 0.000 0.832 1446 A HN 0.545 nan 8.150 nan 0.000 0.442 1447 K N -0.303 120.071 120.400 -0.044 0.000 2.034 1447 K HA -0.039 4.278 4.320 -0.006 0.000 0.214 1447 K C 2.385 178.970 176.600 -0.025 0.000 1.051 1447 K CA 2.424 58.689 56.287 -0.037 0.000 0.931 1447 K CB -1.599 30.874 32.500 -0.046 0.000 0.715 1447 K HN 1.030 nan 8.250 nan 0.000 0.446 1448 A N 0.760 123.564 122.820 -0.025 0.000 1.972 1448 A HA 0.281 4.598 4.320 -0.006 0.000 0.219 1448 A C 2.781 180.357 177.584 -0.013 0.000 1.169 1448 A CA 2.030 54.057 52.037 -0.016 0.000 0.635 1448 A CB -0.777 18.212 19.000 -0.018 0.000 0.810 1448 A HN 0.961 nan 8.150 nan 0.000 0.446 1449 A N 0.474 123.284 122.820 -0.017 0.000 1.858 1449 A HA -0.105 4.212 4.320 -0.006 0.000 0.216 1449 A C 2.077 179.655 177.584 -0.011 0.000 1.190 1449 A CA 1.509 53.537 52.037 -0.015 0.000 0.617 1449 A CB -0.702 18.287 19.000 -0.018 0.000 0.827 1449 A HN 0.515 nan 8.150 nan 0.000 0.443 1450 I N -0.333 120.230 120.570 -0.012 0.000 2.194 1450 I HA -0.311 3.856 4.170 -0.006 0.000 0.246 1450 I C 2.331 178.447 176.117 -0.002 0.000 1.093 1450 I CA 1.588 62.883 61.300 -0.008 0.000 1.355 1450 I CB -0.536 37.457 38.000 -0.011 0.000 1.046 1450 I HN 0.311 nan 8.210 nan 0.000 0.413 1451 I N 0.985 121.556 120.570 0.001 0.000 2.252 1451 I HA -0.247 3.919 4.170 -0.006 0.000 0.245 1451 I C 2.816 178.938 176.117 0.008 0.000 1.102 1451 I CA 1.317 62.624 61.300 0.011 0.000 1.385 1451 I CB -0.332 37.681 38.000 0.022 0.000 1.064 1451 I HN 0.283 nan 8.210 nan 0.000 0.414 1452 R N 1.033 121.535 120.500 0.002 0.000 2.148 1452 R HA -0.150 4.187 4.340 -0.006 0.000 0.223 1452 R C 1.945 178.244 176.300 -0.002 0.000 1.088 1452 R CA 1.279 57.379 56.100 -0.000 0.000 0.985 1452 R CB -0.595 29.703 30.300 -0.004 0.000 0.880 1452 R HN 0.358 nan 8.270 nan 0.000 0.451 1453 E N 2.336 122.534 120.200 -0.002 0.000 2.038 1453 E HA -0.264 4.083 4.350 -0.006 0.000 0.195 1453 E C 1.950 178.549 176.600 -0.001 0.000 1.000 1453 E CA 1.854 58.252 56.400 -0.003 0.000 0.803 1453 E CB -0.306 29.392 29.700 -0.004 0.000 0.750 1453 E HN 0.511 nan 8.360 nan 0.000 0.448 1454 Q N -0.250 119.550 119.800 0.001 0.000 2.096 1454 Q HA -0.126 4.211 4.340 -0.006 0.000 0.204 1454 Q C 2.393 178.394 176.000 0.001 0.000 0.982 1454 Q CA 1.748 57.553 55.803 0.003 0.000 0.850 1454 Q CB -0.199 28.544 28.738 0.007 0.000 0.901 1454 Q HN 0.305 nan 8.270 nan 0.000 0.422 1455 L N 0.333 121.557 121.223 0.002 0.000 1.994 1455 L HA -0.206 4.131 4.340 -0.006 0.000 0.208 1455 L C 2.281 179.149 176.870 -0.004 0.000 1.071 1455 L CA 1.569 56.408 54.840 -0.001 0.000 0.745 1455 L CB -0.304 41.756 42.059 0.001 0.000 0.892 1455 L HN 0.147 nan 8.230 nan 0.000 0.431 1456 E N -0.440 119.758 120.200 -0.004 0.000 2.209 1456 E HA -0.178 4.169 4.350 -0.006 0.000 0.196 1456 E C 0.584 177.180 176.600 -0.005 0.000 0.993 1456 E CA 0.647 57.044 56.400 -0.005 0.000 0.819 1456 E CB 0.150 29.848 29.700 -0.005 0.000 0.745 1456 E HN 0.187 nan 8.360 nan 0.000 0.477 1457 N N -0.708 117.989 118.700 -0.005 0.000 2.626 1457 N HA 0.130 4.867 4.740 -0.006 0.000 0.249 1457 N C -2.363 173.144 175.510 -0.005 0.000 1.021 1457 N CA -2.002 51.046 53.050 -0.004 0.000 0.886 1457 N CB 1.269 39.754 38.487 -0.004 0.000 1.149 1457 N HN -0.191 nan 8.380 nan 0.000 0.517 1458 P HA -0.209 nan 4.420 nan 0.000 0.220 1458 P C 0.852 178.148 177.300 -0.005 0.000 1.155 1458 P CA 1.426 64.522 63.100 -0.007 0.000 0.880 1458 P CB 0.506 32.202 31.700 -0.007 0.000 0.790 1459 E N -0.652 119.545 120.200 -0.004 0.000 2.371 1459 E HA -0.077 4.269 4.350 -0.006 0.000 0.194 1459 E C 1.722 178.321 176.600 -0.001 0.000 1.012 1459 E CA 1.031 57.430 56.400 -0.002 0.000 0.860 1459 E CB -0.535 29.164 29.700 -0.002 0.000 0.811 1459 E HN 0.220 nan 8.360 nan 0.000 0.502 1460 S N -0.488 115.211 115.700 -0.002 0.000 2.496 1460 S HA -0.024 4.443 4.470 -0.006 0.000 0.224 1460 S C 1.748 176.348 174.600 0.000 0.000 0.996 1460 S CA 0.263 58.462 58.200 -0.001 0.000 0.927 1460 S CB -0.117 63.083 63.200 -0.001 0.000 0.774 1460 S HN 0.255 nan 8.310 nan 0.000 0.524 1461 L N 2.064 123.286 121.223 -0.001 0.000 2.007 1461 L HA 0.184 4.521 4.340 -0.006 0.000 0.205 1461 L C 2.264 179.133 176.870 -0.000 0.000 1.073 1461 L CA 1.744 56.583 54.840 -0.002 0.000 0.744 1461 L CB -0.935 41.119 42.059 -0.007 0.000 0.898 1461 L HN 0.158 nan 8.230 nan 0.000 0.435 1462 K N -0.414 119.986 120.400 -0.001 0.000 2.074 1462 K HA -0.216 4.101 4.320 -0.006 0.000 0.209 1462 K C 1.927 178.531 176.600 0.007 0.000 1.048 1462 K CA 1.629 57.918 56.287 0.004 0.000 0.926 1462 K CB -0.422 32.079 32.500 0.002 0.000 0.713 1462 K HN 0.338 nan 8.250 nan 0.000 0.444 1463 N N 1.082 119.785 118.700 0.004 0.000 2.094 1463 N HA -0.171 4.566 4.740 -0.006 0.000 0.191 1463 N C 1.680 177.195 175.510 0.007 0.000 1.023 1463 N CA 0.916 53.968 53.050 0.004 0.000 0.857 1463 N CB -0.309 38.179 38.487 0.002 0.000 1.013 1463 N HN 0.066 nan 8.380 nan 0.000 0.426 1464 L N 1.319 122.547 121.223 0.008 0.000 1.976 1464 L HA 0.003 4.340 4.340 -0.006 0.000 0.209 1464 L C 2.001 178.881 176.870 0.016 0.000 1.071 1464 L CA 1.377 56.224 54.840 0.011 0.000 0.746 1464 L CB -0.874 41.192 42.059 0.010 0.000 0.890 1464 L HN 0.108 nan 8.230 nan 0.000 0.432 1465 I N -0.715 119.866 120.570 0.019 0.000 2.286 1465 I HA -0.309 3.857 4.170 -0.006 0.000 0.248 1465 I C 2.426 178.569 176.117 0.043 0.000 1.115 1465 I CA 0.845 62.166 61.300 0.033 0.000 1.392 1465 I CB -0.387 37.632 38.000 0.031 0.000 1.065 1465 I HN 0.254 nan 8.210 nan 0.000 0.418 1466 I N 0.911 121.498 120.570 0.028 0.000 2.151 1466 I HA -0.344 3.823 4.170 -0.006 0.000 0.243 1466 I C 2.887 179.013 176.117 0.015 0.000 1.080 1466 I CA 2.267 63.578 61.300 0.019 0.000 1.339 1466 I CB -1.141 36.864 38.000 0.008 0.000 1.039 1466 I HN 0.401 nan 8.210 nan 0.000 0.409 1467 S N 0.618 116.326 115.700 0.013 0.000 2.355 1467 S HA -0.187 4.280 4.470 -0.006 0.000 0.222 1467 S C 1.787 176.394 174.600 0.012 0.000 1.031 1467 S CA 1.193 59.398 58.200 0.009 0.000 0.993 1467 S CB -0.444 62.760 63.200 0.006 0.000 0.859 1467 S HN 0.511 nan 8.310 nan 0.000 0.453 1468 E N 1.029 121.242 120.200 0.023 0.000 2.204 1468 E HA -0.001 4.346 4.350 -0.006 0.000 0.194 1468 E C 2.104 178.727 176.600 0.039 0.000 0.989 1468 E CA 1.091 57.510 56.400 0.032 0.000 0.824 1468 E CB -0.330 29.396 29.700 0.042 0.000 0.756 1468 E HN 0.553 nan 8.360 nan 0.000 0.477 1469 L N 0.875 122.123 121.223 0.042 0.000 2.056 1469 L HA -0.188 4.149 4.340 -0.006 0.000 0.207 1469 L C 2.930 179.806 176.870 0.009 0.000 1.078 1469 L CA 1.643 56.503 54.840 0.033 0.000 0.749 1469 L CB -0.757 41.319 42.059 0.028 0.000 0.901 1469 L HN 0.112 nan 8.230 nan 0.000 0.433 1470 K N 0.516 120.917 120.400 0.002 0.000 2.063 1470 K HA -0.214 4.102 4.320 -0.006 0.000 0.208 1470 K C 1.819 178.409 176.600 -0.016 0.000 1.048 1470 K CA 1.797 58.079 56.287 -0.008 0.000 0.928 1470 K CB -0.927 31.569 32.500 -0.007 0.000 0.713 1470 K HN 0.490 nan 8.250 nan 0.000 0.442 1471 E N 0.638 120.828 120.200 -0.016 0.000 2.038 1471 E HA -0.178 4.168 4.350 -0.006 0.000 0.195 1471 E C 1.900 178.461 176.600 -0.066 0.000 1.000 1471 E CA 1.366 57.743 56.400 -0.039 0.000 0.803 1471 E CB -0.150 29.534 29.700 -0.028 0.000 0.750 1471 E HN 0.622 nan 8.360 nan 0.000 0.448 1472 D N 0.483 120.872 120.400 -0.019 0.000 2.144 1472 D HA -0.096 4.540 4.640 -0.006 0.000 0.200 1472 D C 1.728 178.046 176.300 0.030 0.000 0.978 1472 D CA 1.121 55.135 54.000 0.024 0.000 0.833 1472 D CB -0.256 40.633 40.800 0.147 0.000 0.961 1472 D HN 0.143 nan 8.370 nan 0.000 0.470 1473 A N 0.385 123.213 122.820 0.014 0.000 2.209 1473 A HA 0.044 4.361 4.320 -0.006 0.000 0.212 1473 A C 2.146 179.725 177.584 -0.008 0.000 1.158 1473 A CA 1.750 53.794 52.037 0.011 0.000 0.742 1473 A CB -0.447 18.552 19.000 -0.002 0.000 0.790 1473 A HN 0.298 nan 8.150 nan 0.000 0.472 1474 K N -0.577 119.796 120.400 -0.046 0.000 2.108 1474 K HA 0.217 4.533 4.320 -0.006 0.000 0.204 1474 K C 2.409 178.934 176.600 -0.124 0.000 1.036 1474 K CA 1.718 57.966 56.287 -0.065 0.000 0.965 1474 K CB -1.259 31.201 32.500 -0.067 0.000 0.804 1474 K HN 0.583 nan 8.250 nan 0.000 0.454 1475 K N 0.391 120.638 120.400 -0.255 0.000 2.009 1475 K HA 0.001 4.317 4.320 -0.006 0.000 0.210 1475 K C 1.719 178.016 176.600 -0.505 0.000 1.049 1475 K CA 1.925 57.905 56.287 -0.511 0.000 0.929 1475 K CB -0.785 31.171 32.500 -0.907 0.000 0.714 1475 K HN 0.550 nan 8.250 nan 0.000 0.440 1476 F N 0.143 120.107 119.950 0.022 0.000 2.708 1476 F HA 0.406 4.930 4.527 -0.006 0.000 0.300 1476 F C 1.267 177.096 175.800 0.048 0.000 1.118 1476 F CA -1.075 56.959 58.000 0.057 0.000 1.307 1476 F CB 0.313 39.371 39.000 0.096 0.000 0.986 1476 F HN 0.255 nan 8.300 nan 0.000 0.522 1477 G N 0.295 109.178 108.800 0.138 0.000 2.528 1477 G HA2 0.523 4.480 3.960 -0.006 0.000 0.289 1477 G HA3 0.523 4.480 3.960 -0.006 0.000 0.289 1477 G C -1.059 173.923 174.900 0.137 0.000 1.192 1477 G CA -0.233 44.935 45.100 0.114 0.000 0.921 1477 G HN 0.185 nan 8.290 nan 0.000 0.512 1478 D N -1.834 118.656 120.400 0.150 0.000 2.639 1478 D HA 0.263 4.900 4.640 -0.006 0.000 0.271 1478 D C -0.408 175.944 176.300 0.086 0.000 1.254 1478 D CA -0.739 53.332 54.000 0.119 0.000 0.810 1478 D CB 1.001 41.884 40.800 0.138 0.000 1.351 1478 D HN 0.468 nan 8.370 nan 0.000 0.427 1479 E N 0.349 120.579 120.200 0.050 0.000 2.314 1479 E HA 0.269 4.616 4.350 -0.006 0.000 0.262 1479 E C -0.127 176.480 176.600 0.010 0.000 1.093 1479 E CA -0.669 55.748 56.400 0.029 0.000 0.908 1479 E CB 1.340 31.050 29.700 0.016 0.000 1.091 1479 E HN 0.544 nan 8.360 nan 0.000 0.425 1480 R N 0.312 120.810 120.500 -0.003 0.000 2.679 1480 R HA 0.032 4.369 4.340 -0.006 0.000 0.268 1480 R C 0.955 177.230 176.300 -0.042 0.000 1.044 1480 R CA 0.310 56.392 56.100 -0.030 0.000 1.105 1480 R CB 0.532 30.811 30.300 -0.035 0.000 0.989 1480 R HN 0.587 nan 8.270 nan 0.000 0.447 1481 R N 0.781 121.240 120.500 -0.069 0.000 2.144 1481 R HA 0.082 4.418 4.340 -0.006 0.000 0.195 1481 R C 0.208 176.472 176.300 -0.061 0.000 1.077 1481 R CA 0.469 56.532 56.100 -0.063 0.000 1.120 1481 R CB 0.138 30.387 30.300 -0.083 0.000 1.060 1481 R HN 0.659 nan 8.270 nan 0.000 0.520 1482 S N 3.241 118.887 115.700 -0.089 0.000 2.430 1482 S HA 0.391 4.857 4.470 -0.006 0.000 0.289 1482 S C -2.543 172.009 174.600 -0.081 0.000 1.143 1482 S CA -1.587 56.564 58.200 -0.082 0.000 1.067 1482 S CB 1.350 64.481 63.200 -0.115 0.000 0.964 1482 S HN -0.097 nan 8.310 nan 0.000 0.485 1483 P HA 0.413 nan 4.420 nan 0.000 0.277 1483 P C -0.564 176.701 177.300 -0.058 0.000 1.240 1483 P CA -0.691 62.380 63.100 -0.050 0.000 0.798 1483 P CB 0.480 32.161 31.700 -0.031 0.000 0.979 1484 I N 0.945 121.480 120.570 -0.058 0.000 2.385 1484 I HA 0.465 4.631 4.170 -0.006 0.000 0.294 1484 I C 0.055 176.148 176.117 -0.040 0.000 0.988 1484 I CA -0.661 60.604 61.300 -0.059 0.000 1.265 1484 I CB 1.247 39.207 38.000 -0.067 0.000 1.388 1484 I HN 0.003 nan 8.210 nan 0.000 0.480 1485 V N 3.774 123.668 119.914 -0.034 0.000 3.159 1485 V HA 0.751 4.867 4.120 -0.006 0.000 0.308 1485 V C -0.463 175.620 176.094 -0.019 0.000 1.190 1485 V CA -0.672 61.614 62.300 -0.023 0.000 1.037 1485 V CB 2.219 34.030 31.823 -0.021 0.000 1.060 1485 V HN 0.863 nan 8.190 nan 0.000 0.437 1486 A N 2.991 125.803 122.820 -0.013 0.000 2.340 1486 A HA 1.008 5.324 4.320 -0.006 0.000 0.331 1486 A C -0.571 177.009 177.584 -0.006 0.000 1.140 1486 A CA -0.610 51.422 52.037 -0.008 0.000 0.801 1486 A CB 1.452 20.449 19.000 -0.005 0.000 1.234 1486 A HN 0.672 nan 8.150 nan 0.000 0.469 1487 R N 0.000 120.497 120.500 -0.005 0.000 2.786 1487 R HA 0.000 4.337 4.340 -0.006 0.000 0.208 1487 R CA 0.000 56.101 56.100 0.001 0.000 0.921 1487 R CB 0.000 30.288 30.300 -0.021 0.000 0.687 1487 R HN 0.000 nan 8.270 nan 0.000 0.535