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 2xkj_1_E DATA FIRST_RESID 364 DATA SEQUENCE ERKKIVSGPA LPGKLADCVG XTREESELFI VEGDSAGGSA KQARDKNFQA DATA SEQUENCE IMPIRGKILN TWEVSSDEVL ASQEVHDIAI AIGVDPGSDD LSELRYGKIC DATA SEQUENCE ILADADSDGL HIATLLCALF VKHFPALVEE GHLYVAMPPL FRIDIGKDVH DATA SEQUENCE YALDDEELET ILKNVKGNKN PQITRFKGLG EMNAIQLRET TMDPNTRRLV DATA SEQUENCE QLDLDDAHLT AGLLDKLLAK KRAADRKQWL EQKGNLADXX 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 XXXXXXENRS DATA SEQUENCE VAEFTEQAYL NYAMYVIMDR ALPHISDGLK PVQRRIVYAM SELGLKSSGK DATA SEQUENCE PKKSARTVGD VLGKYHPHGD SACYEAMVLM AQPFSYRYPL IEGQGNWGSP DATA SEQUENCE DDPKSFAAMR YTEAKLSAYS 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 IVARAEAVQI 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 0.000 176.588 176.600 -0.021 0.000 1.382 364 E CA 0.000 56.389 56.400 -0.018 0.000 0.976 364 E CB 0.000 29.698 29.700 -0.003 0.000 0.812 365 R N 0.286 120.795 120.500 0.016 0.000 2.707 365 R HA 0.761 5.104 4.340 0.006 0.000 0.270 365 R C 0.696 177.106 176.300 0.182 0.000 1.083 365 R CA -0.020 56.134 56.100 0.091 0.000 1.182 365 R CB 0.236 30.625 30.300 0.149 0.000 1.084 365 R HN 0.742 nan 8.270 nan 0.000 0.528 366 K N 0.878 121.495 120.400 0.362 0.000 2.485 366 K HA 0.211 4.534 4.320 0.006 0.000 0.277 366 K C 0.339 176.995 176.600 0.094 0.000 0.990 366 K CA 0.597 56.985 56.287 0.168 0.000 0.994 366 K CB -0.335 32.211 32.500 0.077 0.000 0.906 366 K HN 0.816 nan 8.250 nan 0.000 0.488 367 K N 1.624 122.058 120.400 0.055 0.000 2.174 367 K HA 0.700 5.023 4.320 0.006 0.000 0.275 367 K C -0.136 176.477 176.600 0.021 0.000 1.015 367 K CA -0.282 56.027 56.287 0.037 0.000 0.933 367 K CB 0.333 32.849 32.500 0.027 0.000 1.025 367 K HN 0.679 nan 8.250 nan 0.000 0.463 368 I N 2.518 123.098 120.570 0.017 0.000 2.500 368 I HA 0.219 4.393 4.170 0.006 0.000 0.286 368 I C 0.880 176.999 176.117 0.003 0.000 1.063 368 I CA -0.966 60.338 61.300 0.007 0.000 1.062 368 I CB 2.257 40.260 38.000 0.005 0.000 1.223 368 I HN 0.513 nan 8.210 nan 0.000 0.435 369 V N 1.429 121.343 119.914 0.001 0.000 3.455 369 V HA 0.256 4.379 4.120 0.006 0.000 0.250 369 V C 0.662 176.754 176.094 -0.004 0.000 1.230 369 V CA 0.309 62.608 62.300 -0.002 0.000 1.105 369 V CB 0.463 32.285 31.823 -0.001 0.000 0.850 369 V HN 0.668 nan 8.190 nan 0.000 0.461 370 S N 0.202 115.900 115.700 -0.003 0.000 2.532 370 S HA 0.852 5.326 4.470 0.006 0.000 0.299 370 S C 0.075 174.673 174.600 -0.003 0.000 1.105 370 S CA 0.061 58.259 58.200 -0.003 0.000 1.018 370 S CB 1.231 64.430 63.200 -0.002 0.000 1.021 370 S HN 2.041 nan 8.310 nan 0.000 0.483 371 G N 2.624 111.422 108.800 -0.003 0.000 2.610 371 G HA2 0.081 4.044 3.960 0.006 0.000 0.304 371 G HA3 0.081 4.044 3.960 0.006 0.000 0.304 371 G C -3.216 171.684 174.900 -0.001 0.000 1.309 371 G CA -0.835 44.264 45.100 -0.002 0.000 0.906 371 G HN 0.834 nan 8.290 nan 0.000 0.521 372 P HA 0.584 nan 4.420 nan 0.000 0.275 372 P C 0.007 177.310 177.300 0.006 0.000 1.228 372 P CA 0.403 63.506 63.100 0.005 0.000 0.786 372 P CB 1.117 32.821 31.700 0.006 0.000 0.927 373 A N 3.479 126.308 122.820 0.014 0.000 2.354 373 A HA 0.375 4.698 4.320 0.006 0.000 0.281 373 A C 0.447 178.043 177.584 0.020 0.000 1.174 373 A CA -0.473 51.575 52.037 0.018 0.000 0.828 373 A CB -0.787 18.233 19.000 0.033 0.000 1.099 373 A HN 0.739 nan 8.150 nan 0.000 0.516 374 L N 1.882 123.109 121.223 0.006 0.000 3.632 374 L HA -0.112 4.232 4.340 0.006 0.000 0.510 374 L C -2.095 174.778 176.870 0.005 0.000 1.299 374 L CA -0.410 54.431 54.840 0.002 0.000 0.829 374 L CB -1.599 40.468 42.059 0.014 0.000 1.559 374 L HN 0.567 nan 8.230 nan 0.000 0.857 375 P HA 0.087 nan 4.420 nan 0.000 0.264 375 P C 1.206 178.507 177.300 0.001 0.000 1.193 375 P CA 1.550 64.652 63.100 0.002 0.000 0.763 375 P CB 1.182 32.881 31.700 -0.001 0.000 0.810 376 G N 2.358 111.160 108.800 0.003 0.000 2.179 376 G HA2 -0.298 3.666 3.960 0.006 0.000 0.260 376 G HA3 -0.298 3.666 3.960 0.006 0.000 0.260 376 G C 0.716 175.617 174.900 0.003 0.000 0.977 376 G CA 0.789 45.890 45.100 0.002 0.000 0.641 376 G HN 0.660 nan 8.290 nan 0.000 0.533 377 K N -1.288 119.115 120.400 0.005 0.000 2.509 377 K HA 0.408 4.732 4.320 0.006 0.000 0.205 377 K C 0.714 177.320 176.600 0.010 0.000 1.336 377 K CA -0.151 56.140 56.287 0.006 0.000 0.912 377 K CB 0.150 32.653 32.500 0.006 0.000 1.568 377 K HN 0.364 nan 8.250 nan 0.000 0.475 378 L N 2.664 123.897 121.223 0.017 0.000 2.315 378 L HA 0.355 4.698 4.340 0.006 0.000 0.283 378 L C -0.907 175.978 176.870 0.026 0.000 1.089 378 L CA -0.026 54.830 54.840 0.027 0.000 0.833 378 L CB 0.787 42.875 42.059 0.048 0.000 1.170 378 L HN 0.232 nan 8.230 nan 0.000 0.442 379 A N 4.678 127.509 122.820 0.018 0.000 2.391 379 A HA 0.354 4.677 4.320 0.006 0.000 0.316 379 A C -0.097 177.507 177.584 0.033 0.000 1.381 379 A CA -0.606 51.440 52.037 0.015 0.000 0.998 379 A CB -0.379 18.620 19.000 -0.003 0.000 1.147 379 A HN 0.756 nan 8.150 nan 0.000 0.545 380 D N 1.036 121.468 120.400 0.054 0.000 2.383 380 D HA 0.456 5.099 4.640 0.006 0.000 0.248 380 D C 0.424 176.772 176.300 0.080 0.000 1.170 380 D CA -0.164 53.895 54.000 0.098 0.000 0.977 380 D CB 1.320 42.180 40.800 0.098 0.000 1.120 380 D HN 0.683 nan 8.370 nan 0.000 0.481 381 C N -0.396 118.977 119.300 0.122 0.000 2.407 381 C HA 0.760 5.224 4.460 0.006 0.000 0.366 381 C C 0.832 175.868 174.990 0.077 0.000 1.213 381 C CA -0.818 58.254 59.018 0.091 0.000 2.011 381 C CB 0.374 28.186 27.740 0.119 0.000 2.306 381 C HN 0.347 nan 8.230 nan 0.000 0.527 382 V N -0.425 119.530 119.914 0.069 0.000 2.802 382 V HA 0.636 4.759 4.120 0.006 0.000 0.350 382 V C 0.545 176.677 176.094 0.063 0.000 1.233 382 V CA 0.579 62.911 62.300 0.053 0.000 1.337 382 V CB -0.817 31.031 31.823 0.041 0.000 1.497 382 V HN 1.312 nan 8.190 nan 0.000 0.616 386 R N 1.607 122.089 120.500 -0.030 0.000 2.235 386 R HA -0.007 4.337 4.340 0.006 0.000 0.213 386 R C 2.047 178.341 176.300 -0.009 0.000 1.059 386 R CA 0.769 56.837 56.100 -0.053 0.000 0.997 386 R CB -0.086 30.135 30.300 -0.132 0.000 0.884 386 R HN 0.730 nan 8.270 nan 0.000 0.462 387 E N 0.256 120.461 120.200 0.007 0.000 2.418 387 E HA -0.177 4.176 4.350 0.006 0.000 0.197 387 E C 1.160 177.788 176.600 0.047 0.000 1.026 387 E CA 0.689 57.112 56.400 0.038 0.000 0.862 387 E CB -0.027 29.696 29.700 0.039 0.000 0.799 387 E HN 0.493 nan 8.360 nan 0.000 0.518 388 E N 1.022 121.245 120.200 0.039 0.000 2.452 388 E HA 0.056 4.409 4.350 0.006 0.000 0.197 388 E C 0.007 176.681 176.600 0.122 0.000 1.022 388 E CA -0.085 56.334 56.400 0.033 0.000 0.890 388 E CB 0.523 30.213 29.700 -0.015 0.000 0.918 388 E HN -0.069 nan 8.360 nan 0.000 0.496 389 S N 0.920 116.714 115.700 0.157 0.000 2.580 389 S HA 0.170 4.643 4.470 0.006 0.000 0.274 389 S C -0.546 174.208 174.600 0.257 0.000 1.329 389 S CA -0.209 58.152 58.200 0.268 0.000 1.036 389 S CB 1.013 64.366 63.200 0.255 0.000 0.919 389 S HN 0.176 nan 8.310 nan 0.000 0.515 390 E N 1.199 121.527 120.200 0.215 0.000 2.256 390 E HA 0.409 4.763 4.350 0.006 0.000 0.268 390 E C -1.413 175.013 176.600 -0.289 0.000 0.877 390 E CA -0.784 55.575 56.400 -0.069 0.000 0.757 390 E CB 1.854 31.488 29.700 -0.110 0.000 1.183 390 E HN 0.262 nan 8.360 nan 0.000 0.418 391 L N 3.160 124.012 121.223 -0.619 0.000 2.282 391 L HA 0.483 4.827 4.340 0.006 0.000 0.288 391 L C -1.637 174.897 176.870 -0.561 0.000 1.033 391 L CA -0.233 54.158 54.840 -0.748 0.000 0.807 391 L CB 0.287 41.694 42.059 -1.087 0.000 1.209 391 L HN 0.428 nan 8.230 nan 0.000 0.423 392 F N 6.030 125.822 119.950 -0.263 0.000 2.388 392 F HA 0.477 5.007 4.527 0.005 0.000 0.358 392 F C 0.162 175.889 175.800 -0.121 0.000 1.122 392 F CA -0.393 57.509 58.000 -0.164 0.000 1.056 392 F CB 1.017 39.934 39.000 -0.138 0.000 1.155 392 F HN 0.278 nan 8.300 nan 0.000 0.461 393 I N 5.570 126.164 120.570 0.040 0.000 2.312 393 I HA 0.370 4.544 4.170 0.006 0.000 0.291 393 I C -0.212 175.956 176.117 0.085 0.000 1.031 393 I CA -0.721 60.612 61.300 0.054 0.000 1.293 393 I CB 0.609 38.647 38.000 0.063 0.000 1.403 393 I HN 0.340 nan 8.210 nan 0.000 0.484 394 V N 2.832 122.787 119.914 0.069 0.000 3.113 394 V HA 0.570 4.693 4.120 0.006 0.000 0.316 394 V C -0.330 175.790 176.094 0.045 0.000 1.125 394 V CA -0.840 61.497 62.300 0.061 0.000 1.026 394 V CB 2.150 33.998 31.823 0.042 0.000 1.080 394 V HN 0.628 nan 8.190 nan 0.000 0.444 395 E N 1.086 121.311 120.200 0.041 0.000 2.200 395 E HA 0.383 4.737 4.350 0.006 0.000 0.283 395 E C 1.070 177.684 176.600 0.023 0.000 1.015 395 E CA 0.561 56.980 56.400 0.032 0.000 0.819 395 E CB 1.566 31.286 29.700 0.034 0.000 1.081 395 E HN 0.974 nan 8.360 nan 0.000 0.397 396 G N 4.800 113.612 108.800 0.019 0.000 2.433 396 G HA2 -0.270 3.693 3.960 0.006 0.000 0.216 396 G HA3 -0.270 3.693 3.960 0.006 0.000 0.216 396 G C 0.972 175.879 174.900 0.012 0.000 1.186 396 G CA 0.632 45.740 45.100 0.014 0.000 0.779 396 G HN 0.507 nan 8.290 nan 0.000 0.543 397 D N 0.525 120.934 120.400 0.015 0.000 2.117 397 D HA -0.103 4.541 4.640 0.006 0.000 0.198 397 D C 3.025 179.332 176.300 0.012 0.000 0.982 397 D CA 1.651 55.659 54.000 0.013 0.000 0.828 397 D CB -0.379 40.431 40.800 0.017 0.000 0.967 397 D HN 0.450 nan 8.370 nan 0.000 0.464 398 S N -0.213 115.497 115.700 0.016 0.000 2.387 398 S HA 0.109 4.582 4.470 0.006 0.000 0.226 398 S C 1.583 176.192 174.600 0.014 0.000 1.026 398 S CA 1.025 59.234 58.200 0.016 0.000 0.972 398 S CB 0.252 63.465 63.200 0.021 0.000 0.814 398 S HN 0.196 nan 8.310 nan 0.000 0.477 399 A N -0.192 122.635 122.820 0.011 0.000 2.596 399 A HA 0.701 5.025 4.320 0.006 0.000 0.276 399 A C 1.547 179.125 177.584 -0.011 0.000 0.962 399 A CA 0.260 52.297 52.037 0.001 0.000 1.010 399 A CB -0.483 18.520 19.000 0.005 0.000 1.220 399 A HN 0.501 nan 8.150 nan 0.000 0.549 400 G N 0.753 109.550 108.800 -0.005 0.000 2.453 400 G HA2 0.049 4.012 3.960 0.006 0.000 0.215 400 G HA3 0.049 4.012 3.960 0.006 0.000 0.215 400 G C 1.491 176.380 174.900 -0.019 0.000 1.201 400 G CA 1.497 46.592 45.100 -0.009 0.000 0.784 400 G HN 0.764 nan 8.290 nan 0.000 0.545 401 G N 0.802 109.593 108.800 -0.016 0.000 2.421 401 G HA2 -0.169 3.794 3.960 0.006 0.000 0.216 401 G HA3 -0.169 3.794 3.960 0.006 0.000 0.216 401 G C 2.273 177.154 174.900 -0.031 0.000 1.171 401 G CA 2.107 47.195 45.100 -0.020 0.000 0.775 401 G HN 0.720 nan 8.290 nan 0.000 0.543 402 S N 1.360 117.041 115.700 -0.031 0.000 2.368 402 S HA 0.108 4.581 4.470 0.006 0.000 0.225 402 S C 2.616 177.172 174.600 -0.073 0.000 1.030 402 S CA 1.545 59.720 58.200 -0.043 0.000 0.999 402 S CB -0.560 62.620 63.200 -0.032 0.000 0.844 402 S HN 0.596 nan 8.310 nan 0.000 0.459 403 A N 1.972 124.743 122.820 -0.083 0.000 1.933 403 A HA -0.024 4.299 4.320 0.006 0.000 0.218 403 A C 2.250 179.749 177.584 -0.141 0.000 1.175 403 A CA 1.650 53.605 52.037 -0.136 0.000 0.628 403 A CB -0.677 18.246 19.000 -0.128 0.000 0.814 403 A HN 0.581 nan 8.150 nan 0.000 0.444 404 K N -0.897 119.447 120.400 -0.093 0.000 2.097 404 K HA -0.145 4.179 4.320 0.006 0.000 0.206 404 K C 2.066 178.615 176.600 -0.085 0.000 1.049 404 K CA 1.334 57.571 56.287 -0.082 0.000 0.933 404 K CB -0.057 32.413 32.500 -0.051 0.000 0.717 404 K HN 0.401 nan 8.250 nan 0.000 0.442 405 Q N -0.649 119.106 119.800 -0.075 0.000 2.245 405 Q HA -0.008 4.335 4.340 0.006 0.000 0.201 405 Q C 1.829 177.777 176.000 -0.087 0.000 0.955 405 Q CA 1.049 56.812 55.803 -0.067 0.000 0.870 405 Q CB 0.192 28.902 28.738 -0.048 0.000 0.945 405 Q HN 0.329 nan 8.270 nan 0.000 0.461 406 A N 1.707 124.456 122.820 -0.118 0.000 2.016 406 A HA -0.072 4.251 4.320 0.006 0.000 0.217 406 A C 1.323 178.793 177.584 -0.191 0.000 1.162 406 A CA 0.235 52.185 52.037 -0.145 0.000 0.662 406 A CB -0.266 18.631 19.000 -0.172 0.000 0.812 406 A HN 0.360 nan 8.150 nan 0.000 0.450 407 R N -0.015 120.352 120.500 -0.223 0.000 2.649 407 R HA 0.306 4.649 4.340 0.006 0.000 0.270 407 R C -1.088 175.075 176.300 -0.229 0.000 1.105 407 R CA -0.228 55.700 56.100 -0.286 0.000 1.193 407 R CB 0.277 30.414 30.300 -0.271 0.000 1.120 407 R HN 0.048 nan 8.270 nan 0.000 0.561 408 D N 0.604 120.812 120.400 -0.321 0.000 2.412 408 D HA 0.071 4.715 4.640 0.006 0.000 0.224 408 D C 0.211 176.355 176.300 -0.259 0.000 1.093 408 D CA -0.706 53.137 54.000 -0.262 0.000 0.850 408 D CB 1.430 42.055 40.800 -0.292 0.000 1.046 408 D HN 0.635 nan 8.370 nan 0.000 0.507 409 K N 2.781 123.112 120.400 -0.115 0.000 2.442 409 K HA -0.095 4.228 4.320 0.006 0.000 0.199 409 K C 0.873 177.468 176.600 -0.008 0.000 1.044 409 K CA 1.046 57.297 56.287 -0.062 0.000 0.941 409 K CB -0.021 32.462 32.500 -0.028 0.000 0.759 409 K HN 0.118 nan 8.250 nan 0.000 0.472 410 N N 0.041 118.764 118.700 0.038 0.000 2.409 410 N HA -0.042 4.701 4.740 0.006 0.000 0.179 410 N C 0.548 176.213 175.510 0.257 0.000 1.032 410 N CA 1.259 54.400 53.050 0.151 0.000 0.898 410 N CB 0.063 38.677 38.487 0.212 0.000 0.971 410 N HN 0.642 nan 8.380 nan 0.000 0.441 411 F N -1.536 118.446 119.950 0.052 0.000 3.022 411 F HA 0.449 4.979 4.527 0.006 0.000 0.351 411 F C -0.612 175.254 175.800 0.109 0.000 1.170 411 F CA -0.724 57.319 58.000 0.072 0.000 1.066 411 F CB -0.137 38.893 39.000 0.051 0.000 1.297 411 F HN -0.304 nan 8.300 nan 0.000 0.519 412 Q N 2.179 121.804 119.800 -0.293 0.000 2.330 412 Q HA 0.807 5.151 4.340 0.006 0.000 0.269 412 Q C -0.870 175.107 176.000 -0.038 0.000 1.022 412 Q CA -0.881 54.824 55.803 -0.164 0.000 0.796 412 Q CB 2.614 31.164 28.738 -0.314 0.000 1.271 412 Q HN 0.377 nan 8.270 nan 0.000 0.450 413 A N 3.052 125.879 122.820 0.011 0.000 2.337 413 A HA 0.799 5.122 4.320 0.006 0.000 0.331 413 A C -0.871 176.702 177.584 -0.018 0.000 1.137 413 A CA -0.565 51.466 52.037 -0.010 0.000 0.807 413 A CB 0.948 19.949 19.000 0.001 0.000 1.250 413 A HN 0.609 nan 8.150 nan 0.000 0.468 414 I N 1.539 122.099 120.570 -0.017 0.000 2.466 414 I HA 0.393 4.567 4.170 0.006 0.000 0.289 414 I C -0.469 175.642 176.117 -0.009 0.000 1.026 414 I CA -0.221 61.078 61.300 -0.000 0.000 1.078 414 I CB 1.466 39.452 38.000 -0.024 0.000 1.249 414 I HN 0.762 nan 8.210 nan 0.000 0.429 415 M N 8.879 128.476 119.600 -0.005 0.000 2.046 415 M HA 0.418 4.901 4.480 0.006 0.000 0.309 415 M C -2.685 173.624 176.300 0.016 0.000 0.935 415 M CA -1.535 53.766 55.300 0.002 0.000 0.915 415 M CB 2.213 34.812 32.600 -0.002 0.000 1.474 415 M HN 0.183 nan 8.290 nan 0.000 0.415 416 P HA 0.337 nan 4.420 nan 0.000 0.285 416 P C -1.170 176.141 177.300 0.019 0.000 1.259 416 P CA -0.113 62.997 63.100 0.016 0.000 0.794 416 P CB 1.155 32.861 31.700 0.009 0.000 0.940 417 I N 1.758 122.342 120.570 0.023 0.000 2.436 417 I HA 0.403 4.577 4.170 0.006 0.000 0.289 417 I C 1.080 177.208 176.117 0.019 0.000 1.010 417 I CA -1.097 60.216 61.300 0.021 0.000 1.098 417 I CB 1.865 39.881 38.000 0.026 0.000 1.266 417 I HN 0.274 nan 8.210 nan 0.000 0.434 418 R N 4.919 125.429 120.500 0.017 0.000 2.288 418 R HA 0.591 4.934 4.340 0.006 0.000 0.330 418 R C 0.708 177.018 176.300 0.017 0.000 1.069 418 R CA 0.345 56.456 56.100 0.017 0.000 0.941 418 R CB -0.464 29.846 30.300 0.016 0.000 0.998 418 R HN 1.130 nan 8.270 nan 0.000 0.452 419 G N 1.719 110.530 108.800 0.019 0.000 2.645 419 G HA2 -0.242 3.721 3.960 0.006 0.000 0.246 419 G HA3 -0.242 3.721 3.960 0.006 0.000 0.246 419 G C -0.345 174.556 174.900 0.002 0.000 1.322 419 G CA 0.114 45.225 45.100 0.018 0.000 0.898 419 G HN 0.932 nan 8.290 nan 0.000 0.573 420 K N 0.361 120.753 120.400 -0.013 0.000 2.174 420 K HA 0.530 4.853 4.320 0.006 0.000 0.275 420 K C 1.184 177.757 176.600 -0.044 0.000 1.015 420 K CA -0.029 56.221 56.287 -0.062 0.000 0.933 420 K CB 1.267 33.687 32.500 -0.133 0.000 1.025 420 K HN 0.689 nan 8.250 nan 0.000 0.463 421 I N 0.766 121.306 120.570 -0.049 0.000 3.079 421 I HA 0.185 4.359 4.170 0.006 0.000 0.295 421 I C 0.357 176.454 176.117 -0.034 0.000 1.094 421 I CA -0.998 60.285 61.300 -0.028 0.000 1.295 421 I CB 0.378 38.366 38.000 -0.020 0.000 1.443 421 I HN 0.531 nan 8.210 nan 0.000 0.607 422 L N 1.306 122.523 121.223 -0.009 0.000 2.472 422 L HA 0.335 4.678 4.340 0.006 0.000 0.260 422 L C 0.224 177.105 176.870 0.018 0.000 1.209 422 L CA -0.438 54.407 54.840 0.008 0.000 0.817 422 L CB 0.100 42.169 42.059 0.016 0.000 1.106 422 L HN 0.720 nan 8.230 nan 0.000 0.479 423 N N 0.884 119.611 118.700 0.045 0.000 2.399 423 N HA 0.054 4.797 4.740 0.006 0.000 0.259 423 N C 0.595 176.171 175.510 0.111 0.000 1.160 423 N CA 0.287 53.385 53.050 0.078 0.000 0.946 423 N CB 0.710 39.255 38.487 0.096 0.000 1.156 423 N HN 0.834 nan 8.380 nan 0.000 0.489 424 T N 0.336 114.976 114.554 0.143 0.000 3.086 424 T HA -0.005 4.348 4.350 0.006 0.000 0.250 424 T C 1.557 176.413 174.700 0.260 0.000 1.074 424 T CA -0.441 61.764 62.100 0.174 0.000 0.988 424 T CB -0.462 68.500 68.868 0.157 0.000 0.988 424 T HN 0.599 nan 8.240 nan 0.000 0.530 425 W N 2.337 123.656 121.300 0.031 0.000 2.321 425 W HA -0.097 4.565 4.660 0.004 0.000 0.306 425 W C 0.947 177.449 176.519 -0.029 0.000 1.217 425 W CA 1.276 58.605 57.345 -0.027 0.000 1.257 425 W CB 0.113 29.541 29.460 -0.054 0.000 1.145 425 W HN 0.413 nan 8.180 nan 0.000 0.509 426 E N -0.021 120.184 120.200 0.008 0.000 2.501 426 E HA 0.047 4.400 4.350 0.006 0.000 0.201 426 E C -0.070 176.502 176.600 -0.046 0.000 1.016 426 E CA -0.239 56.106 56.400 -0.090 0.000 0.920 426 E CB 0.851 30.566 29.700 0.024 0.000 1.023 426 E HN -0.162 nan 8.360 nan 0.000 0.474 427 V N 2.668 122.591 119.914 0.016 0.000 2.488 427 V HA 0.010 4.134 4.120 0.006 0.000 0.277 427 V C 0.617 176.739 176.094 0.047 0.000 1.046 427 V CA -0.442 61.872 62.300 0.023 0.000 0.986 427 V CB 1.183 33.014 31.823 0.013 0.000 0.989 427 V HN 0.228 nan 8.190 nan 0.000 0.475 428 S N 3.815 119.510 115.700 -0.008 0.000 2.560 428 S HA 0.061 4.534 4.470 0.006 0.000 0.284 428 S C 1.290 175.892 174.600 0.003 0.000 1.327 428 S CA 0.091 58.283 58.200 -0.012 0.000 1.055 428 S CB 1.070 64.245 63.200 -0.043 0.000 0.868 428 S HN 0.680 nan 8.310 nan 0.000 0.506 429 S N 2.083 117.801 115.700 0.029 0.000 2.399 429 S HA -0.055 4.419 4.470 0.006 0.000 0.231 429 S C 1.971 176.504 174.600 -0.112 0.000 1.022 429 S CA 1.451 59.630 58.200 -0.034 0.000 0.983 429 S CB -1.168 62.030 63.200 -0.003 0.000 0.803 429 S HN 1.004 nan 8.310 nan 0.000 0.480 430 D N 0.294 120.646 120.400 -0.081 0.000 2.378 430 D HA -0.021 4.622 4.640 0.006 0.000 0.222 430 D C 1.466 177.713 176.300 -0.089 0.000 0.980 430 D CA 1.180 55.133 54.000 -0.080 0.000 0.907 430 D CB -0.281 40.484 40.800 -0.058 0.000 0.899 430 D HN 0.657 nan 8.370 nan 0.000 0.527 431 E N -1.340 118.797 120.200 -0.106 0.000 2.603 431 E HA 0.101 4.454 4.350 0.006 0.000 0.224 431 E C 1.525 178.045 176.600 -0.133 0.000 0.896 431 E CA 0.173 56.515 56.400 -0.097 0.000 1.224 431 E CB 1.011 30.670 29.700 -0.068 0.000 1.206 431 E HN 0.209 nan 8.360 nan 0.000 0.576 432 V N 1.280 121.068 119.914 -0.211 0.000 2.809 432 V HA -0.051 4.072 4.120 0.006 0.000 0.256 432 V C 1.859 177.812 176.094 -0.235 0.000 1.080 432 V CA 0.995 63.120 62.300 -0.291 0.000 1.102 432 V CB -0.179 31.260 31.823 -0.641 0.000 0.705 432 V HN 0.329 nan 8.190 nan 0.000 0.475 433 L N 0.009 121.095 121.223 -0.229 0.000 2.465 433 L HA 0.031 4.375 4.340 0.006 0.000 0.224 433 L C 2.607 179.396 176.870 -0.134 0.000 1.145 433 L CA 0.876 55.563 54.840 -0.256 0.000 0.834 433 L CB -0.703 41.102 42.059 -0.422 0.000 0.944 433 L HN 0.414 nan 8.230 nan 0.000 0.451 434 A N -0.472 122.294 122.820 -0.090 0.000 2.024 434 A HA -0.162 4.162 4.320 0.006 0.000 0.220 434 A C 1.579 179.163 177.584 -0.001 0.000 1.164 434 A CA 1.241 53.260 52.037 -0.030 0.000 0.643 434 A CB -0.351 18.628 19.000 -0.035 0.000 0.806 434 A HN 0.367 nan 8.150 nan 0.000 0.451 435 S N -1.150 114.539 115.700 -0.018 0.000 2.523 435 S HA 0.285 4.759 4.470 0.006 0.000 0.275 435 S C 0.848 175.477 174.600 0.048 0.000 1.281 435 S CA -0.178 58.025 58.200 0.005 0.000 1.050 435 S CB 1.242 64.431 63.200 -0.018 0.000 0.937 435 S HN 0.405 nan 8.310 nan 0.000 0.492 436 Q N 3.035 122.868 119.800 0.054 0.000 2.079 436 Q HA -0.074 4.270 4.340 0.006 0.000 0.200 436 Q C 1.684 177.725 176.000 0.069 0.000 0.974 436 Q CA 1.896 57.742 55.803 0.072 0.000 0.840 436 Q CB -0.198 28.561 28.738 0.035 0.000 0.898 436 Q HN 0.822 nan 8.270 nan 0.000 0.430 437 E N -0.571 119.653 120.200 0.041 0.000 2.085 437 E HA -0.135 4.218 4.350 0.006 0.000 0.194 437 E C 2.074 178.698 176.600 0.040 0.000 0.994 437 E CA 1.377 57.797 56.400 0.032 0.000 0.801 437 E CB -0.397 29.313 29.700 0.016 0.000 0.743 437 E HN 0.260 nan 8.360 nan 0.000 0.453 438 V N 0.575 120.509 119.914 0.032 0.000 2.307 438 V HA -0.253 3.871 4.120 0.006 0.000 0.245 438 V C 2.348 178.498 176.094 0.092 0.000 1.045 438 V CA 1.986 64.300 62.300 0.024 0.000 1.024 438 V CB -0.660 31.139 31.823 -0.040 0.000 0.651 438 V HN 0.367 nan 8.190 nan 0.000 0.449 439 H N 0.063 119.133 119.070 -0.001 0.000 2.319 439 H HA -0.225 4.334 4.556 0.004 0.000 0.297 439 H C 2.231 177.573 175.328 0.025 0.000 1.097 439 H CA 1.824 57.880 56.048 0.014 0.000 1.285 439 H CB 0.168 29.932 29.762 0.003 0.000 1.368 439 H HN 0.421 nan 8.280 nan 0.000 0.495 440 D N 0.290 120.785 120.400 0.159 0.000 2.123 440 D HA -0.163 4.480 4.640 0.006 0.000 0.196 440 D C 2.294 178.642 176.300 0.081 0.000 0.992 440 D CA 1.186 55.230 54.000 0.073 0.000 0.833 440 D CB -0.292 40.529 40.800 0.036 0.000 0.954 440 D HN 0.488 nan 8.370 nan 0.000 0.455 441 I N 1.029 121.641 120.570 0.071 0.000 2.208 441 I HA -0.281 3.893 4.170 0.006 0.000 0.245 441 I C 2.437 178.573 176.117 0.032 0.000 1.097 441 I CA 1.142 62.467 61.300 0.041 0.000 1.363 441 I CB -0.197 37.798 38.000 -0.008 0.000 1.051 441 I HN -0.057 nan 8.210 nan 0.000 0.413 442 A N 0.827 123.705 122.820 0.096 0.000 1.902 442 A HA -0.167 4.157 4.320 0.006 0.000 0.217 442 A C 2.289 179.947 177.584 0.124 0.000 1.181 442 A CA 1.459 53.578 52.037 0.136 0.000 0.623 442 A CB -0.767 18.387 19.000 0.258 0.000 0.818 442 A HN 0.373 nan 8.150 nan 0.000 0.443 443 I N -0.285 120.375 120.570 0.150 0.000 2.179 443 I HA -0.284 3.890 4.170 0.006 0.000 0.242 443 I C 3.013 179.181 176.117 0.087 0.000 1.088 443 I CA 1.063 62.429 61.300 0.111 0.000 1.357 443 I CB -0.370 37.680 38.000 0.084 0.000 1.051 443 I HN 0.356 nan 8.210 nan 0.000 0.409 444 A N 1.356 124.232 122.820 0.093 0.000 1.892 444 A HA -0.226 4.098 4.320 0.006 0.000 0.218 444 A C 2.276 179.982 177.584 0.202 0.000 1.188 444 A CA 2.234 54.354 52.037 0.140 0.000 0.631 444 A CB -0.982 18.083 19.000 0.108 0.000 0.822 444 A HN 0.647 nan 8.150 nan 0.000 0.447 445 I N -4.308 116.333 120.570 0.117 0.000 3.226 445 I HA 0.377 4.550 4.170 0.006 0.000 0.277 445 I C 1.251 177.389 176.117 0.034 0.000 1.243 445 I CA 0.808 62.173 61.300 0.108 0.000 1.459 445 I CB -0.480 37.516 38.000 -0.006 0.000 1.093 445 I HN 0.469 nan 8.210 nan 0.000 0.453 446 G N 2.086 110.908 108.800 0.035 0.000 2.256 446 G HA2 -0.166 3.798 3.960 0.006 0.000 0.272 446 G HA3 -0.166 3.798 3.960 0.006 0.000 0.272 446 G C -0.246 174.682 174.900 0.045 0.000 1.076 446 G CA 0.220 45.336 45.100 0.026 0.000 0.882 446 G HN 0.388 nan 8.290 nan 0.000 0.497 447 V N -0.113 119.854 119.914 0.089 0.000 2.808 447 V HA 0.470 4.594 4.120 0.006 0.000 0.308 447 V C -0.585 175.704 176.094 0.325 0.000 1.099 447 V CA -1.347 61.062 62.300 0.182 0.000 0.920 447 V CB 2.110 34.058 31.823 0.209 0.000 1.014 447 V HN 0.247 nan 8.190 nan 0.000 0.425 448 D N 4.979 125.524 120.400 0.241 0.000 2.302 448 D HA 0.319 4.962 4.640 0.006 0.000 0.248 448 D C -2.408 173.957 176.300 0.108 0.000 1.094 448 D CA -1.227 52.874 54.000 0.169 0.000 0.897 448 D CB 1.526 42.362 40.800 0.059 0.000 1.200 448 D HN 0.283 nan 8.370 nan 0.000 0.429 449 P HA 0.057 nan 4.420 nan 0.000 0.265 449 P C 0.837 177.974 177.300 -0.273 0.000 1.193 449 P CA 0.200 62.980 63.100 -0.534 0.000 0.765 449 P CB 0.678 32.103 31.700 -0.459 0.000 0.823 450 G N 1.347 109.981 108.800 -0.275 0.000 2.179 450 G HA2 -0.235 3.728 3.960 0.006 0.000 0.260 450 G HA3 -0.235 3.728 3.960 0.006 0.000 0.260 450 G C 0.301 175.156 174.900 -0.075 0.000 0.977 450 G CA 0.364 45.380 45.100 -0.140 0.000 0.641 450 G HN 0.833 nan 8.290 nan 0.000 0.533 451 S N 0.070 115.745 115.700 -0.041 0.000 2.549 451 S HA 0.546 5.019 4.470 0.006 0.000 0.297 451 S C 0.818 175.449 174.600 0.050 0.000 1.115 451 S CA 0.427 58.634 58.200 0.012 0.000 1.059 451 S CB 1.281 64.501 63.200 0.034 0.000 1.046 451 S HN 0.442 nan 8.310 nan 0.000 0.506 452 D N 1.304 121.730 120.400 0.043 0.000 2.363 452 D HA 0.128 4.772 4.640 0.006 0.000 0.214 452 D C -0.230 176.107 176.300 0.062 0.000 1.093 452 D CA -0.261 53.773 54.000 0.058 0.000 0.837 452 D CB 0.018 40.841 40.800 0.038 0.000 0.948 452 D HN 0.360 nan 8.370 nan 0.000 0.507 453 D N 1.067 121.503 120.400 0.059 0.000 2.365 453 D HA 0.079 4.722 4.640 0.006 0.000 0.237 453 D C 0.375 176.710 176.300 0.057 0.000 1.190 453 D CA -0.317 53.713 54.000 0.050 0.000 0.867 453 D CB 0.731 41.554 40.800 0.038 0.000 1.050 453 D HN 0.166 nan 8.370 nan 0.000 0.491 454 L N 2.983 124.236 121.223 0.049 0.000 2.741 454 L HA 0.057 4.401 4.340 0.006 0.000 0.237 454 L C 1.956 178.827 176.870 0.001 0.000 1.178 454 L CA -0.113 54.744 54.840 0.029 0.000 0.973 454 L CB -0.068 42.012 42.059 0.035 0.000 1.255 454 L HN 0.323 nan 8.230 nan 0.000 0.498 455 S N -1.311 114.395 115.700 0.009 0.000 2.481 455 S HA -0.134 4.339 4.470 0.006 0.000 0.231 455 S C 1.500 176.091 174.600 -0.015 0.000 0.996 455 S CA 0.715 58.915 58.200 -0.001 0.000 0.942 455 S CB 0.069 63.272 63.200 0.006 0.000 0.768 455 S HN 0.387 nan 8.310 nan 0.000 0.520 456 E N 0.161 120.352 120.200 -0.014 0.000 2.481 456 E HA 0.339 4.693 4.350 0.006 0.000 0.198 456 E C -0.015 176.555 176.600 -0.051 0.000 1.027 456 E CA -0.350 56.035 56.400 -0.025 0.000 0.900 456 E CB 0.085 29.784 29.700 -0.003 0.000 0.993 456 E HN 0.449 nan 8.360 nan 0.000 0.482 457 L N 1.552 122.736 121.223 -0.064 0.000 2.667 457 L HA -0.067 4.276 4.340 0.006 0.000 0.278 457 L C 0.572 177.353 176.870 -0.148 0.000 1.217 457 L CA 0.983 55.759 54.840 -0.106 0.000 0.935 457 L CB 0.459 42.413 42.059 -0.176 0.000 1.193 457 L HN 0.055 nan 8.230 nan 0.000 0.493 458 R N 3.986 124.375 120.500 -0.185 0.000 2.297 458 R HA 0.155 4.499 4.340 0.006 0.000 0.197 458 R C -0.770 175.083 176.300 -0.746 0.000 0.943 458 R CA 0.327 56.165 56.100 -0.437 0.000 1.038 458 R CB 0.078 30.070 30.300 -0.515 0.000 0.957 458 R HN 0.571 nan 8.270 nan 0.000 0.484 459 Y N -2.441 117.808 120.300 -0.084 0.000 2.544 459 Y HA 0.305 4.858 4.550 0.005 0.000 0.342 459 Y C 1.119 176.967 175.900 -0.088 0.000 1.062 459 Y CA -1.052 57.005 58.100 -0.072 0.000 1.023 459 Y CB 1.677 40.087 38.460 -0.083 0.000 1.308 459 Y HN -0.136 nan 8.280 nan 0.000 0.457 460 G N 1.137 110.010 108.800 0.121 0.000 2.430 460 G HA2 0.029 3.992 3.960 0.006 0.000 0.216 460 G HA3 0.029 3.992 3.960 0.006 0.000 0.216 460 G C -0.008 175.020 174.900 0.213 0.000 1.146 460 G CA 0.219 45.405 45.100 0.143 0.000 0.793 460 G HN 0.359 nan 8.290 nan 0.000 0.537 461 K N 0.396 120.830 120.400 0.056 0.000 2.397 461 K HA 0.479 4.802 4.320 0.006 0.000 0.253 461 K C -1.569 174.930 176.600 -0.168 0.000 0.932 461 K CA -0.886 55.356 56.287 -0.075 0.000 0.795 461 K CB 2.740 34.919 32.500 -0.534 0.000 1.159 461 K HN -0.147 nan 8.250 nan 0.000 0.424 462 I N 2.819 123.314 120.570 -0.125 0.000 2.330 462 I HA 0.235 4.408 4.170 0.006 0.000 0.289 462 I C -0.294 175.645 176.117 -0.296 0.000 1.001 462 I CA -0.961 60.172 61.300 -0.277 0.000 1.193 462 I CB 0.671 38.464 38.000 -0.345 0.000 1.345 462 I HN 0.613 nan 8.210 nan 0.000 0.461 463 C N 7.210 126.258 119.300 -0.421 0.000 2.319 463 C HA 0.550 5.014 4.460 0.006 0.000 0.323 463 C C 0.557 175.436 174.990 -0.186 0.000 1.277 463 C CA -0.908 57.885 59.018 -0.375 0.000 1.517 463 C CB 0.479 27.753 27.740 -0.777 0.000 2.206 463 C HN 0.544 nan 8.230 nan 0.000 0.486 464 I N 3.795 124.316 120.570 -0.082 0.000 2.379 464 I HA 0.190 4.364 4.170 0.006 0.000 0.290 464 I C -0.135 176.029 176.117 0.079 0.000 1.063 464 I CA 0.098 61.411 61.300 0.022 0.000 1.351 464 I CB 0.573 38.599 38.000 0.044 0.000 1.410 464 I HN 0.444 nan 8.210 nan 0.000 0.505 465 L N 8.369 129.668 121.223 0.127 0.000 2.301 465 L HA 0.769 5.113 4.340 0.006 0.000 0.278 465 L C -0.271 176.668 176.870 0.115 0.000 1.022 465 L CA -0.014 54.915 54.840 0.147 0.000 0.854 465 L CB 0.616 42.791 42.059 0.194 0.000 1.226 465 L HN 0.655 nan 8.230 nan 0.000 0.429 466 A N 3.093 125.987 122.820 0.124 0.000 2.469 466 A HA 0.740 5.063 4.320 0.006 0.000 0.299 466 A C -0.848 176.815 177.584 0.133 0.000 1.098 466 A CA -0.799 51.310 52.037 0.120 0.000 0.737 466 A CB 0.867 19.947 19.000 0.133 0.000 1.312 466 A HN 0.568 nan 8.150 nan 0.000 0.414 467 D N 0.337 120.806 120.400 0.115 0.000 2.354 467 D HA 0.379 5.022 4.640 0.006 0.000 0.238 467 D C 1.250 177.632 176.300 0.137 0.000 1.250 467 D CA 0.836 54.912 54.000 0.127 0.000 0.911 467 D CB 0.891 41.724 40.800 0.054 0.000 1.163 467 D HN 0.580 nan 8.370 nan 0.000 0.456 468 A N 0.746 123.663 122.820 0.160 0.000 2.178 468 A HA 0.015 4.338 4.320 0.006 0.000 0.211 468 A C 0.533 178.143 177.584 0.043 0.000 1.157 468 A CA 0.359 52.477 52.037 0.136 0.000 0.780 468 A CB -0.305 18.833 19.000 0.231 0.000 0.828 468 A HN 0.606 nan 8.150 nan 0.000 0.476 469 D N -0.832 119.561 120.400 -0.011 0.000 2.478 469 D HA 0.224 4.867 4.640 0.006 0.000 0.269 469 D C 1.425 177.672 176.300 -0.088 0.000 1.232 469 D CA 0.273 54.222 54.000 -0.084 0.000 1.059 469 D CB 0.050 40.769 40.800 -0.135 0.000 1.104 469 D HN 0.066 nan 8.370 nan 0.000 0.566 470 S N -0.668 114.897 115.700 -0.225 0.000 2.370 470 S HA -0.247 4.226 4.470 0.006 0.000 0.226 470 S C 1.266 175.915 174.600 0.082 0.000 1.033 470 S CA 1.398 59.520 58.200 -0.130 0.000 1.011 470 S CB -0.580 62.344 63.200 -0.460 0.000 0.852 470 S HN 0.467 nan 8.310 nan 0.000 0.457 471 D N 1.905 122.321 120.400 0.025 0.000 2.144 471 D HA 0.055 4.699 4.640 0.006 0.000 0.200 471 D C 2.188 178.532 176.300 0.072 0.000 0.978 471 D CA 1.317 55.372 54.000 0.091 0.000 0.833 471 D CB -1.012 39.826 40.800 0.064 0.000 0.961 471 D HN 0.565 nan 8.370 nan 0.000 0.470 472 G N 0.618 109.450 108.800 0.053 0.000 2.402 472 G HA2 -0.168 3.796 3.960 0.006 0.000 0.216 472 G HA3 -0.168 3.796 3.960 0.006 0.000 0.216 472 G C 1.775 176.731 174.900 0.094 0.000 1.162 472 G CA 0.161 45.304 45.100 0.071 0.000 0.777 472 G HN 0.248 nan 8.290 nan 0.000 0.539 473 L N -0.561 120.715 121.223 0.089 0.000 2.083 473 L HA -0.117 4.227 4.340 0.006 0.000 0.209 473 L C 2.581 179.525 176.870 0.123 0.000 1.083 473 L CA 1.425 56.316 54.840 0.086 0.000 0.752 473 L CB -0.572 41.524 42.059 0.062 0.000 0.899 473 L HN 0.390 nan 8.230 nan 0.000 0.433 474 H N 0.226 119.260 119.070 -0.061 0.000 2.357 474 H HA -0.125 4.434 4.556 0.005 0.000 0.301 474 H C 2.462 177.741 175.328 -0.081 0.000 1.082 474 H CA 1.365 57.283 56.048 -0.217 0.000 1.342 474 H CB 0.289 29.617 29.762 -0.723 0.000 1.389 474 H HN 0.233 nan 8.280 nan 0.000 0.511 475 I N 0.853 121.387 120.570 -0.061 0.000 2.163 475 I HA -0.282 3.892 4.170 0.006 0.000 0.243 475 I C 2.933 179.071 176.117 0.036 0.000 1.085 475 I CA 1.034 62.294 61.300 -0.066 0.000 1.347 475 I CB -0.382 37.617 38.000 -0.001 0.000 1.044 475 I HN 0.331 nan 8.210 nan 0.000 0.408 476 A N 0.361 123.255 122.820 0.123 0.000 1.908 476 A HA -0.293 4.031 4.320 0.006 0.000 0.218 476 A C 2.454 180.189 177.584 0.252 0.000 1.181 476 A CA 2.679 54.860 52.037 0.240 0.000 0.627 476 A CB -1.222 18.014 19.000 0.394 0.000 0.818 476 A HN 0.519 nan 8.150 nan 0.000 0.445 477 T N -1.592 113.067 114.554 0.174 0.000 2.904 477 T HA -0.005 4.348 4.350 0.006 0.000 0.267 477 T C 1.810 176.555 174.700 0.075 0.000 1.059 477 T CA 1.373 63.559 62.100 0.143 0.000 1.137 477 T CB -0.434 68.510 68.868 0.127 0.000 0.879 477 T HN 0.308 nan 8.240 nan 0.000 0.467 478 L N 0.009 121.243 121.223 0.018 0.000 2.093 478 L HA 0.119 4.462 4.340 0.006 0.000 0.208 478 L C 2.751 179.655 176.870 0.057 0.000 1.085 478 L CA 0.925 55.756 54.840 -0.016 0.000 0.755 478 L CB -0.420 41.561 42.059 -0.131 0.000 0.904 478 L HN 0.283 nan 8.230 nan 0.000 0.435 479 L N -1.294 119.991 121.223 0.104 0.000 2.027 479 L HA -0.252 4.091 4.340 0.006 0.000 0.206 479 L C 2.755 179.824 176.870 0.331 0.000 1.074 479 L CA 1.135 56.089 54.840 0.191 0.000 0.745 479 L CB -0.636 41.578 42.059 0.258 0.000 0.898 479 L HN 0.381 nan 8.230 nan 0.000 0.433 480 C N -0.183 119.301 119.300 0.306 0.000 2.398 480 C HA -0.223 4.240 4.460 0.006 0.000 0.276 480 C C 3.159 178.310 174.990 0.269 0.000 1.222 480 C CA 0.762 59.964 59.018 0.307 0.000 1.746 480 C CB -1.166 26.724 27.740 0.251 0.000 2.039 480 C HN 0.639 nan 8.230 nan 0.000 0.470 481 A N 0.275 123.203 122.820 0.179 0.000 1.883 481 A HA -0.191 4.132 4.320 0.006 0.000 0.217 481 A C 2.054 179.824 177.584 0.310 0.000 1.186 481 A CA 2.043 54.208 52.037 0.212 0.000 0.624 481 A CB -0.780 18.294 19.000 0.123 0.000 0.822 481 A HN 0.527 nan 8.150 nan 0.000 0.444 482 L N -1.228 120.113 121.223 0.198 0.000 2.012 482 L HA -0.131 4.212 4.340 0.006 0.000 0.210 482 L C 2.230 179.196 176.870 0.159 0.000 1.073 482 L CA 2.133 57.053 54.840 0.134 0.000 0.748 482 L CB -0.863 41.133 42.059 -0.105 0.000 0.891 482 L HN 0.382 nan 8.230 nan 0.000 0.431 483 F N -1.608 118.533 119.950 0.319 0.000 2.206 483 F HA -0.133 4.398 4.527 0.007 0.000 0.298 483 F C 2.335 178.288 175.800 0.254 0.000 1.090 483 F CA 1.306 59.515 58.000 0.348 0.000 1.323 483 F CB -0.563 38.558 39.000 0.201 0.000 1.028 483 F HN -0.110 nan 8.300 nan 0.000 0.492 484 V N -0.010 120.124 119.914 0.366 0.000 2.358 484 V HA -0.277 3.847 4.120 0.006 0.000 0.246 484 V C 2.347 178.536 176.094 0.158 0.000 1.047 484 V CA 1.929 64.393 62.300 0.272 0.000 1.035 484 V CB -0.483 31.520 31.823 0.301 0.000 0.658 484 V HN 0.156 nan 8.190 nan 0.000 0.452 485 K N -0.439 120.010 120.400 0.081 0.000 2.031 485 K HA -0.103 4.221 4.320 0.006 0.000 0.205 485 K C 2.031 178.299 176.600 -0.553 0.000 1.049 485 K CA 1.665 57.703 56.287 -0.414 0.000 0.939 485 K CB -0.279 31.768 32.500 -0.754 0.000 0.717 485 K HN 0.580 nan 8.250 nan 0.000 0.438 486 H N -2.136 116.822 119.070 -0.186 0.000 2.654 486 H HA 0.197 4.757 4.556 0.007 0.000 0.264 486 H C -0.100 174.796 175.328 -0.720 0.000 0.954 486 H CA 0.378 56.132 56.048 -0.490 0.000 1.199 486 H CB 0.509 29.886 29.762 -0.641 0.000 1.446 486 H HN 0.082 nan 8.280 nan 0.000 0.516 487 F N 1.245 121.277 119.950 0.137 0.000 2.688 487 F HA 0.273 4.803 4.527 0.005 0.000 0.376 487 F C -1.759 174.131 175.800 0.150 0.000 1.428 487 F CA -1.771 56.330 58.000 0.168 0.000 1.156 487 F CB 1.112 40.286 39.000 0.290 0.000 1.141 487 F HN -0.067 nan 8.300 nan 0.000 0.521 488 P HA -0.241 nan 4.420 nan 0.000 0.216 488 P C 1.680 179.053 177.300 0.121 0.000 1.150 488 P CA 1.735 64.909 63.100 0.124 0.000 0.837 488 P CB 0.294 32.012 31.700 0.031 0.000 0.786 489 A N 0.116 123.013 122.820 0.128 0.000 1.908 489 A HA -0.184 4.139 4.320 0.006 0.000 0.218 489 A C 2.358 180.037 177.584 0.158 0.000 1.181 489 A CA 1.613 53.721 52.037 0.118 0.000 0.627 489 A CB -1.737 17.331 19.000 0.114 0.000 0.818 489 A HN 0.188 nan 8.150 nan 0.000 0.445 490 L N -0.224 121.130 121.223 0.218 0.000 2.042 490 L HA -0.177 4.166 4.340 0.006 0.000 0.210 490 L C 2.404 179.372 176.870 0.164 0.000 1.076 490 L CA 1.879 56.861 54.840 0.237 0.000 0.749 490 L CB -0.165 42.027 42.059 0.221 0.000 0.893 490 L HN 0.221 nan 8.230 nan 0.000 0.432 491 V N -0.998 118.986 119.914 0.118 0.000 2.379 491 V HA -0.194 3.930 4.120 0.006 0.000 0.245 491 V C 2.471 178.554 176.094 -0.019 0.000 1.044 491 V CA 1.574 63.888 62.300 0.025 0.000 1.036 491 V CB -0.554 31.305 31.823 0.059 0.000 0.664 491 V HN 0.439 nan 8.190 nan 0.000 0.453 492 E N 0.837 121.047 120.200 0.015 0.000 2.110 492 E HA -0.195 4.158 4.350 0.006 0.000 0.193 492 E C 1.966 178.539 176.600 -0.046 0.000 0.988 492 E CA 1.140 57.531 56.400 -0.014 0.000 0.804 492 E CB -0.191 29.512 29.700 0.005 0.000 0.745 492 E HN 0.505 nan 8.360 nan 0.000 0.458 493 E N -0.643 119.540 120.200 -0.029 0.000 2.512 493 E HA 0.091 4.444 4.350 0.006 0.000 0.195 493 E C 0.776 177.155 176.600 -0.369 0.000 1.083 493 E CA 0.666 56.996 56.400 -0.116 0.000 0.873 493 E CB -0.100 29.616 29.700 0.028 0.000 0.897 493 E HN 0.383 nan 8.360 nan 0.000 0.514 494 G N 1.643 110.266 108.800 -0.294 0.000 2.160 494 G HA2 -0.277 3.687 3.960 0.006 0.000 0.244 494 G HA3 -0.277 3.687 3.960 0.006 0.000 0.244 494 G C 0.567 175.210 174.900 -0.427 0.000 1.022 494 G CA 0.267 45.147 45.100 -0.367 0.000 0.741 494 G HN 0.391 nan 8.290 nan 0.000 0.508 495 H N -1.565 117.447 119.070 -0.096 0.000 2.553 495 H HA 0.255 4.815 4.556 0.006 0.000 0.265 495 H C 1.145 176.453 175.328 -0.033 0.000 0.964 495 H CA 0.472 56.526 56.048 0.010 0.000 1.156 495 H CB 0.633 30.396 29.762 0.002 0.000 1.411 495 H HN 0.428 nan 8.280 nan 0.000 0.558 496 L N 1.501 122.628 121.223 -0.161 0.000 2.275 496 L HA 0.280 4.624 4.340 0.006 0.000 0.288 496 L C -1.322 175.339 176.870 -0.347 0.000 1.046 496 L CA -0.499 54.197 54.840 -0.241 0.000 0.805 496 L CB 0.408 42.284 42.059 -0.305 0.000 1.193 496 L HN -0.145 nan 8.230 nan 0.000 0.426 497 Y N 3.065 123.208 120.300 -0.261 0.000 2.605 497 Y HA 0.704 5.258 4.550 0.005 0.000 0.343 497 Y C -0.466 175.282 175.900 -0.254 0.000 1.036 497 Y CA -1.167 56.792 58.100 -0.234 0.000 1.065 497 Y CB 1.962 40.301 38.460 -0.202 0.000 1.288 497 Y HN 0.223 nan 8.280 nan 0.000 0.481 498 V N 1.473 121.338 119.914 -0.082 0.000 2.448 498 V HA 0.724 4.848 4.120 0.006 0.000 0.295 498 V C -0.289 175.800 176.094 -0.010 0.000 1.025 498 V CA -1.168 61.057 62.300 -0.124 0.000 0.859 498 V CB 1.310 32.930 31.823 -0.339 0.000 0.988 498 V HN 0.875 nan 8.190 nan 0.000 0.431 499 A N 6.822 129.669 122.820 0.045 0.000 2.343 499 A HA 0.612 4.936 4.320 0.006 0.000 0.305 499 A C 0.175 177.804 177.584 0.076 0.000 1.308 499 A CA -0.460 51.635 52.037 0.096 0.000 0.949 499 A CB -0.083 19.042 19.000 0.209 0.000 1.148 499 A HN 0.718 nan 8.150 nan 0.000 0.545 500 M N 4.901 124.535 119.600 0.057 0.000 2.238 500 M HA 0.200 4.684 4.480 0.006 0.000 0.350 500 M C -2.015 174.291 176.300 0.009 0.000 1.321 500 M CA -2.109 53.225 55.300 0.057 0.000 1.097 500 M CB -0.013 32.619 32.600 0.054 0.000 1.713 500 M HN 0.450 nan 8.290 nan 0.000 0.455 501 P HA 0.349 nan 4.420 nan 0.000 0.274 501 P C -2.695 174.476 177.300 -0.216 0.000 1.256 501 P CA -1.338 61.702 63.100 -0.100 0.000 0.795 501 P CB -0.606 31.156 31.700 0.102 0.000 1.038 502 P HA 0.019 nan 4.420 nan 0.000 0.268 502 P C 0.760 177.962 177.300 -0.164 0.000 1.208 502 P CA -0.046 62.816 63.100 -0.396 0.000 0.777 502 P CB 0.252 31.560 31.700 -0.654 0.000 0.875 503 L N 1.791 122.963 121.223 -0.085 0.000 2.202 503 L HA 0.314 4.657 4.340 0.006 0.000 0.205 503 L C 0.110 176.750 176.870 -0.384 0.000 1.083 503 L CA 1.448 56.132 54.840 -0.260 0.000 0.790 503 L CB -0.253 41.571 42.059 -0.391 0.000 0.942 503 L HN 0.221 nan 8.230 nan 0.000 0.452 504 F N -0.712 119.344 119.950 0.176 0.000 2.576 504 F HA 0.514 5.044 4.527 0.006 0.000 0.313 504 F C 0.241 176.183 175.800 0.238 0.000 1.078 504 F CA -0.824 57.291 58.000 0.192 0.000 0.921 504 F CB 1.290 40.359 39.000 0.115 0.000 1.232 504 F HN -0.303 nan 8.300 nan 0.000 0.459 505 R N 2.044 122.796 120.500 0.419 0.000 2.604 505 R HA 0.824 5.167 4.340 0.006 0.000 0.287 505 R C -1.853 174.506 176.300 0.098 0.000 0.970 505 R CA -0.633 55.579 56.100 0.187 0.000 0.946 505 R CB 1.232 31.648 30.300 0.194 0.000 1.127 505 R HN 0.694 nan 8.270 nan 0.000 0.473 506 I N 3.211 123.771 120.570 -0.018 0.000 2.439 506 I HA 0.242 4.415 4.170 0.006 0.000 0.285 506 I C -0.989 175.121 176.117 -0.012 0.000 1.021 506 I CA -0.512 60.799 61.300 0.018 0.000 1.091 506 I CB 2.036 40.068 38.000 0.054 0.000 1.242 506 I HN 0.446 nan 8.210 nan 0.000 0.439 507 D N 7.556 127.947 120.400 -0.015 0.000 2.198 507 D HA 0.552 5.196 4.640 0.006 0.000 0.245 507 D C -0.279 176.025 176.300 0.007 0.000 1.079 507 D CA 0.020 53.999 54.000 -0.034 0.000 0.854 507 D CB 2.321 43.095 40.800 -0.043 0.000 1.148 507 D HN 0.317 nan 8.370 nan 0.000 0.456 508 I N 1.844 122.422 120.570 0.013 0.000 2.542 508 I HA 0.270 4.444 4.170 0.006 0.000 0.278 508 I C 1.084 177.206 176.117 0.008 0.000 1.069 508 I CA -0.552 60.769 61.300 0.036 0.000 1.100 508 I CB 1.388 39.453 38.000 0.108 0.000 1.204 508 I HN 0.554 nan 8.210 nan 0.000 0.470 509 G N 6.010 114.807 108.800 -0.004 0.000 2.622 509 G HA2 -0.339 3.624 3.960 0.006 0.000 0.307 509 G HA3 -0.339 3.624 3.960 0.006 0.000 0.307 509 G C 0.675 175.559 174.900 -0.027 0.000 1.226 509 G CA 0.415 45.508 45.100 -0.012 0.000 0.997 509 G HN 0.627 nan 8.290 nan 0.000 0.551 510 K N 1.337 121.718 120.400 -0.030 0.000 2.444 510 K HA 0.151 4.474 4.320 0.006 0.000 0.193 510 K C -0.257 176.299 176.600 -0.073 0.000 1.024 510 K CA 0.219 56.481 56.287 -0.042 0.000 1.077 510 K CB 0.160 32.642 32.500 -0.030 0.000 0.833 510 K HN 0.371 nan 8.250 nan 0.000 0.517 511 D N 0.990 121.333 120.400 -0.094 0.000 2.210 511 D HA 0.143 4.787 4.640 0.006 0.000 0.249 511 D C -0.563 175.550 176.300 -0.311 0.000 1.078 511 D CA -0.173 53.704 54.000 -0.205 0.000 0.875 511 D CB 2.061 42.755 40.800 -0.177 0.000 1.175 511 D HN -0.271 nan 8.370 nan 0.000 0.440 512 V N 3.906 123.563 119.914 -0.430 0.000 2.448 512 V HA 0.250 4.374 4.120 0.006 0.000 0.295 512 V C -0.165 175.530 176.094 -0.665 0.000 1.025 512 V CA -0.680 61.353 62.300 -0.444 0.000 0.859 512 V CB 1.561 33.205 31.823 -0.300 0.000 0.988 512 V HN 0.504 nan 8.190 nan 0.000 0.431 513 H N 3.505 122.398 119.070 -0.294 0.000 2.679 513 H HA 0.573 5.132 4.556 0.006 0.000 0.367 513 H C -1.525 173.567 175.328 -0.394 0.000 1.162 513 H CA -0.434 55.475 56.048 -0.232 0.000 1.181 513 H CB 2.208 31.914 29.762 -0.093 0.000 1.693 513 H HN 0.525 nan 8.280 nan 0.000 0.538 514 Y N -0.175 120.214 120.300 0.148 0.000 2.429 514 Y HA 0.529 5.083 4.550 0.006 0.000 0.342 514 Y C 0.015 175.966 175.900 0.085 0.000 1.004 514 Y CA -0.890 57.260 58.100 0.083 0.000 1.075 514 Y CB 1.974 40.415 38.460 -0.032 0.000 1.214 514 Y HN 0.684 nan 8.280 nan 0.000 0.455 515 A N 2.593 125.577 122.820 0.273 0.000 2.331 515 A HA 0.604 4.928 4.320 0.006 0.000 0.320 515 A C -0.428 177.272 177.584 0.194 0.000 1.138 515 A CA -0.480 51.691 52.037 0.224 0.000 0.790 515 A CB 0.723 19.879 19.000 0.260 0.000 1.206 515 A HN 0.772 nan 8.150 nan 0.000 0.470 516 L N 1.301 122.595 121.223 0.118 0.000 2.558 516 L HA 0.222 4.565 4.340 0.006 0.000 0.225 516 L C 0.178 177.102 176.870 0.091 0.000 1.128 516 L CA 1.142 56.018 54.840 0.061 0.000 0.868 516 L CB -0.871 41.206 42.059 0.029 0.000 1.006 516 L HN 0.918 nan 8.230 nan 0.000 0.454 517 D N -5.433 115.062 120.400 0.158 0.000 2.738 517 D HA 0.062 4.705 4.640 0.006 0.000 0.308 517 D C 0.136 176.584 176.300 0.248 0.000 1.311 517 D CA -0.542 53.565 54.000 0.178 0.000 0.799 517 D CB 0.117 40.984 40.800 0.112 0.000 1.332 517 D HN -0.289 nan 8.370 nan 0.000 0.441 518 D N -0.264 120.273 120.400 0.228 0.000 2.178 518 D HA -0.121 4.523 4.640 0.006 0.000 0.202 518 D C 1.278 177.624 176.300 0.077 0.000 0.974 518 D CA 0.963 55.070 54.000 0.179 0.000 0.841 518 D CB 0.266 41.156 40.800 0.150 0.000 0.953 518 D HN 0.497 nan 8.370 nan 0.000 0.478 519 E N 0.811 121.054 120.200 0.072 0.000 2.028 519 E HA -0.152 4.201 4.350 0.006 0.000 0.191 519 E C 1.925 178.543 176.600 0.030 0.000 0.988 519 E CA 0.719 57.143 56.400 0.040 0.000 0.799 519 E CB 0.099 29.824 29.700 0.040 0.000 0.755 519 E HN 0.350 nan 8.360 nan 0.000 0.447 520 E N 0.461 120.692 120.200 0.051 0.000 2.118 520 E HA -0.218 4.136 4.350 0.006 0.000 0.195 520 E C 2.144 178.756 176.600 0.020 0.000 0.992 520 E CA 0.685 57.111 56.400 0.043 0.000 0.804 520 E CB -0.064 29.679 29.700 0.071 0.000 0.741 520 E HN 0.115 nan 8.360 nan 0.000 0.458 521 L N 1.469 122.703 121.223 0.018 0.000 2.027 521 L HA -0.172 4.171 4.340 0.006 0.000 0.206 521 L C 2.291 179.106 176.870 -0.092 0.000 1.074 521 L CA 1.882 56.680 54.840 -0.070 0.000 0.745 521 L CB -0.335 41.584 42.059 -0.233 0.000 0.898 521 L HN 0.045 nan 8.230 nan 0.000 0.433 522 E N -1.160 118.997 120.200 -0.070 0.000 2.085 522 E HA -0.236 4.117 4.350 0.006 0.000 0.194 522 E C 1.861 178.430 176.600 -0.051 0.000 0.994 522 E CA 1.911 58.274 56.400 -0.061 0.000 0.801 522 E CB -0.084 29.594 29.700 -0.038 0.000 0.743 522 E HN 0.597 nan 8.360 nan 0.000 0.453 523 T N 1.485 116.016 114.554 -0.037 0.000 2.652 523 T HA -0.155 4.199 4.350 0.006 0.000 0.267 523 T C 1.960 176.623 174.700 -0.061 0.000 1.039 523 T CA 1.525 63.602 62.100 -0.038 0.000 1.153 523 T CB -0.243 68.611 68.868 -0.023 0.000 0.863 523 T HN 0.200 nan 8.240 nan 0.000 0.428 524 I N 0.495 121.020 120.570 -0.076 0.000 2.163 524 I HA -0.169 4.004 4.170 0.006 0.000 0.243 524 I C 2.204 178.248 176.117 -0.121 0.000 1.085 524 I CA 0.980 62.204 61.300 -0.125 0.000 1.347 524 I CB -0.366 37.553 38.000 -0.135 0.000 1.044 524 I HN 0.164 nan 8.210 nan 0.000 0.408 525 L N 1.128 122.293 121.223 -0.096 0.000 2.056 525 L HA -0.197 4.147 4.340 0.006 0.000 0.207 525 L C 2.492 179.322 176.870 -0.068 0.000 1.078 525 L CA 1.849 56.639 54.840 -0.084 0.000 0.749 525 L CB -0.930 41.079 42.059 -0.085 0.000 0.901 525 L HN 0.332 nan 8.230 nan 0.000 0.433 526 K N -1.423 118.941 120.400 -0.060 0.000 2.365 526 K HA -0.065 4.259 4.320 0.006 0.000 0.199 526 K C 1.141 177.714 176.600 -0.045 0.000 1.045 526 K CA 1.542 57.802 56.287 -0.046 0.000 0.962 526 K CB -0.328 32.149 32.500 -0.038 0.000 0.759 526 K HN 0.394 nan 8.250 nan 0.000 0.469 527 N N 0.961 119.627 118.700 -0.056 0.000 2.236 527 N HA 0.028 4.772 4.740 0.006 0.000 0.196 527 N C -0.698 174.778 175.510 -0.056 0.000 1.114 527 N CA -0.156 52.863 53.050 -0.053 0.000 0.859 527 N CB 1.298 39.751 38.487 -0.057 0.000 0.982 527 N HN 0.067 nan 8.380 nan 0.000 0.493 528 V N -1.011 118.865 119.914 -0.064 0.000 2.318 528 V HA 0.761 4.884 4.120 0.006 0.000 0.271 528 V C 0.008 176.081 176.094 -0.035 0.000 1.030 528 V CA -0.852 61.418 62.300 -0.051 0.000 0.844 528 V CB 0.356 32.144 31.823 -0.059 0.000 1.015 528 V HN 0.008 nan 8.190 nan 0.000 0.460 529 K N 2.466 122.850 120.400 -0.026 0.000 2.281 529 K HA 1.021 5.344 4.320 0.006 0.000 0.242 529 K C 0.552 177.144 176.600 -0.014 0.000 0.971 529 K CA -0.089 56.186 56.287 -0.020 0.000 0.834 529 K CB 1.643 34.132 32.500 -0.018 0.000 1.181 529 K HN 2.235 nan 8.250 nan 0.000 0.435 530 G N -1.324 107.469 108.800 -0.012 0.000 2.217 530 G HA2 0.264 4.228 3.960 0.006 0.000 0.126 530 G HA3 0.264 4.228 3.960 0.006 0.000 0.126 530 G C 0.962 175.857 174.900 -0.008 0.000 1.293 530 G CA 1.124 46.219 45.100 -0.009 0.000 1.219 530 G HN 1.404 nan 8.290 nan 0.000 0.477 531 N N -0.003 118.693 118.700 -0.006 0.000 2.324 531 N HA 0.571 5.314 4.740 0.006 0.000 0.192 531 N C 1.595 177.101 175.510 -0.006 0.000 1.046 531 N CA 2.664 55.711 53.050 -0.006 0.000 0.898 531 N CB -0.952 37.533 38.487 -0.004 0.000 1.079 531 N HN 1.839 nan 8.380 nan 0.000 0.456 532 K N -0.133 120.264 120.400 -0.004 0.000 2.518 532 K HA 0.466 4.790 4.320 0.006 0.000 0.276 532 K C 0.220 176.816 176.600 -0.006 0.000 0.974 532 K CA 0.281 56.566 56.287 -0.004 0.000 0.986 532 K CB -1.729 30.771 32.500 0.001 0.000 0.901 532 K HN 1.195 nan 8.250 nan 0.000 0.497 533 N N 3.507 122.202 118.700 -0.008 0.000 2.434 533 N HA 0.531 5.275 4.740 0.006 0.000 0.272 533 N C -2.561 172.944 175.510 -0.009 0.000 1.040 533 N CA -1.698 51.345 53.050 -0.011 0.000 0.956 533 N CB 0.603 39.082 38.487 -0.013 0.000 1.108 533 N HN 0.598 nan 8.380 nan 0.000 0.481 534 P HA 0.206 nan 4.420 nan 0.000 0.276 534 P C -0.706 176.587 177.300 -0.011 0.000 1.253 534 P CA -0.044 63.051 63.100 -0.008 0.000 0.766 534 P CB 0.899 32.587 31.700 -0.020 0.000 0.845 535 Q N 3.829 123.626 119.800 -0.004 0.000 2.322 535 Q HA 0.398 4.741 4.340 0.006 0.000 0.256 535 Q C -1.112 174.894 176.000 0.011 0.000 0.960 535 Q CA -0.040 55.762 55.803 -0.001 0.000 0.934 535 Q CB 0.103 28.839 28.738 -0.004 0.000 1.200 535 Q HN 0.364 nan 8.270 nan 0.000 0.435 536 I N 4.203 124.784 120.570 0.017 0.000 2.359 536 I HA 0.470 4.643 4.170 0.006 0.000 0.294 536 I C -0.136 176.049 176.117 0.113 0.000 0.987 536 I CA -0.647 60.680 61.300 0.046 0.000 1.225 536 I CB 1.682 39.668 38.000 -0.022 0.000 1.366 536 I HN 0.766 nan 8.210 nan 0.000 0.466 537 T N 1.997 116.661 114.554 0.184 0.000 2.896 537 T HA 0.529 4.883 4.350 0.006 0.000 0.297 537 T C -0.446 174.425 174.700 0.285 0.000 1.108 537 T CA -1.093 61.124 62.100 0.195 0.000 1.004 537 T CB 1.807 70.740 68.868 0.109 0.000 1.159 537 T HN 0.498 nan 8.240 nan 0.000 0.499 538 R N 0.760 121.385 120.500 0.208 0.000 2.389 538 R HA 0.469 4.812 4.340 0.006 0.000 0.295 538 R C -0.632 175.761 176.300 0.154 0.000 1.075 538 R CA -0.683 55.501 56.100 0.139 0.000 1.005 538 R CB 0.026 30.374 30.300 0.081 0.000 0.987 538 R HN 0.655 nan 8.270 nan 0.000 0.452 539 F N 4.512 124.481 119.950 0.032 0.000 2.443 539 F HA 0.174 4.705 4.527 0.006 0.000 0.353 539 F C 0.400 176.227 175.800 0.045 0.000 1.101 539 F CA 0.234 58.282 58.000 0.080 0.000 1.226 539 F CB 0.885 39.947 39.000 0.102 0.000 1.140 539 F HN 0.521 nan 8.300 nan 0.000 0.557 540 K N 3.757 123.682 120.400 -0.792 0.000 2.324 540 K HA 0.328 4.651 4.320 0.006 0.000 0.222 540 K C 0.336 176.548 176.600 -0.645 0.000 1.107 540 K CA 0.483 56.469 56.287 -0.501 0.000 0.873 540 K CB -0.264 32.078 32.500 -0.263 0.000 1.270 540 K HN 0.657 nan 8.250 nan 0.000 0.456 541 G N 1.230 109.541 108.800 -0.814 0.000 2.530 541 G HA2 0.443 4.406 3.960 0.006 0.000 0.316 541 G HA3 0.443 4.406 3.960 0.006 0.000 0.316 541 G C 0.535 175.329 174.900 -0.177 0.000 1.298 541 G CA -0.581 44.305 45.100 -0.356 0.000 0.948 541 G HN 0.030 nan 8.290 nan 0.000 0.486 542 L N 2.193 123.495 121.223 0.131 0.000 2.265 542 L HA -0.027 4.317 4.340 0.006 0.000 0.215 542 L C 2.750 179.680 176.870 0.099 0.000 1.117 542 L CA 1.199 56.177 54.840 0.230 0.000 0.782 542 L CB -0.005 42.137 42.059 0.139 0.000 0.914 542 L HN 0.677 nan 8.230 nan 0.000 0.441 543 G N 0.374 109.198 108.800 0.041 0.000 2.625 543 G HA2 -0.212 3.752 3.960 0.006 0.000 0.214 543 G HA3 -0.212 3.752 3.960 0.006 0.000 0.214 543 G C 1.337 176.257 174.900 0.032 0.000 1.132 543 G CA 0.599 45.714 45.100 0.025 0.000 0.782 543 G HN 0.668 nan 8.290 nan 0.000 0.538 544 E N -0.632 119.595 120.200 0.045 0.000 2.435 544 E HA 0.155 4.508 4.350 0.006 0.000 0.195 544 E C 1.104 177.776 176.600 0.121 0.000 1.029 544 E CA -0.123 56.322 56.400 0.075 0.000 0.865 544 E CB -0.035 29.709 29.700 0.075 0.000 0.833 544 E HN 0.318 nan 8.360 nan 0.000 0.510 545 M N 2.812 122.477 119.600 0.108 0.000 2.314 545 M HA 0.194 4.677 4.480 0.006 0.000 0.342 545 M C 0.249 176.578 176.300 0.048 0.000 1.171 545 M CA -0.681 54.671 55.300 0.087 0.000 1.098 545 M CB 1.303 33.900 32.600 -0.006 0.000 1.559 545 M HN 0.134 nan 8.290 nan 0.000 0.459 546 N N 1.466 120.197 118.700 0.051 0.000 2.347 546 N HA 0.273 5.017 4.740 0.006 0.000 0.253 546 N C 0.604 176.113 175.510 -0.002 0.000 1.274 546 N CA -0.216 52.848 53.050 0.023 0.000 0.941 546 N CB 0.840 39.342 38.487 0.025 0.000 1.200 546 N HN 0.735 nan 8.380 nan 0.000 0.514 547 A N 0.612 123.422 122.820 -0.015 0.000 1.933 547 A HA -0.133 4.191 4.320 0.006 0.000 0.218 547 A C 2.178 179.737 177.584 -0.042 0.000 1.175 547 A CA 1.000 53.014 52.037 -0.038 0.000 0.628 547 A CB -0.593 18.383 19.000 -0.040 0.000 0.814 547 A HN 0.678 nan 8.150 nan 0.000 0.444 548 I N -0.039 120.519 120.570 -0.020 0.000 2.226 548 I HA -0.253 3.920 4.170 0.006 0.000 0.245 548 I C 2.535 178.646 176.117 -0.010 0.000 1.100 548 I CA 1.574 62.866 61.300 -0.013 0.000 1.374 548 I CB -1.620 36.382 38.000 0.003 0.000 1.057 548 I HN 0.484 nan 8.210 nan 0.000 0.413 549 Q N -0.104 119.699 119.800 0.005 0.000 2.119 549 Q HA -0.178 4.165 4.340 0.006 0.000 0.201 549 Q C 2.267 178.216 176.000 -0.086 0.000 0.972 549 Q CA 1.049 56.859 55.803 0.012 0.000 0.847 549 Q CB -0.205 28.588 28.738 0.092 0.000 0.903 549 Q HN 0.312 nan 8.270 nan 0.000 0.433 550 L N 1.025 122.189 121.223 -0.098 0.000 2.027 550 L HA -0.174 4.169 4.340 0.006 0.000 0.206 550 L C 2.396 179.180 176.870 -0.143 0.000 1.074 550 L CA 1.758 56.515 54.840 -0.138 0.000 0.745 550 L CB -0.437 41.553 42.059 -0.114 0.000 0.898 550 L HN 0.067 nan 8.230 nan 0.000 0.433 551 R N -0.303 120.124 120.500 -0.121 0.000 2.094 551 R HA -0.235 4.108 4.340 0.006 0.000 0.239 551 R C 2.168 178.417 176.300 -0.084 0.000 1.137 551 R CA 2.311 58.339 56.100 -0.120 0.000 0.943 551 R CB -0.367 29.880 30.300 -0.089 0.000 0.850 551 R HN 0.537 nan 8.270 nan 0.000 0.433 552 E N -0.854 119.315 120.200 -0.052 0.000 2.077 552 E HA -0.167 4.186 4.350 0.006 0.000 0.193 552 E C 1.950 178.530 176.600 -0.033 0.000 0.989 552 E CA 1.902 58.290 56.400 -0.020 0.000 0.800 552 E CB -0.028 29.681 29.700 0.015 0.000 0.746 552 E HN 0.629 nan 8.360 nan 0.000 0.452 553 T N -2.299 112.207 114.554 -0.080 0.000 3.009 553 T HA -0.034 4.320 4.350 0.006 0.000 0.258 553 T C 2.004 176.643 174.700 -0.102 0.000 1.063 553 T CA 1.352 63.385 62.100 -0.112 0.000 1.139 553 T CB 0.075 68.793 68.868 -0.250 0.000 0.890 553 T HN 0.215 nan 8.240 nan 0.000 0.471 554 T N -2.311 112.178 114.554 -0.108 0.000 2.969 554 T HA 0.427 4.781 4.350 0.006 0.000 0.258 554 T C 1.664 176.327 174.700 -0.061 0.000 0.962 554 T CA -0.377 61.679 62.100 -0.072 0.000 0.903 554 T CB -0.041 68.773 68.868 -0.089 0.000 1.177 554 T HN 0.268 nan 8.240 nan 0.000 0.511 555 M N 0.761 120.278 119.600 -0.139 0.000 2.740 555 M HA 0.316 4.799 4.480 0.006 0.000 0.253 555 M C 0.234 176.504 176.300 -0.050 0.000 1.341 555 M CA -0.067 55.097 55.300 -0.227 0.000 1.176 555 M CB 0.387 32.689 32.600 -0.496 0.000 1.310 555 M HN 0.072 nan 8.290 nan 0.000 0.531 556 D N 2.445 122.829 120.400 -0.026 0.000 2.382 556 D HA 0.060 4.703 4.640 0.006 0.000 0.259 556 D C -1.943 174.408 176.300 0.085 0.000 1.224 556 D CA -1.379 52.649 54.000 0.047 0.000 0.894 556 D CB 1.527 42.342 40.800 0.026 0.000 1.127 556 D HN -0.048 nan 8.370 nan 0.000 0.487 557 P HA -0.125 nan 4.420 nan 0.000 0.217 557 P C 0.886 178.223 177.300 0.062 0.000 1.148 557 P CA 0.923 64.091 63.100 0.112 0.000 0.828 557 P CB 0.300 32.073 31.700 0.121 0.000 0.783 558 N N -1.481 117.252 118.700 0.055 0.000 2.354 558 N HA -0.044 4.699 4.740 0.006 0.000 0.179 558 N C 1.345 176.874 175.510 0.033 0.000 1.021 558 N CA 1.881 54.953 53.050 0.036 0.000 0.887 558 N CB -0.302 38.204 38.487 0.031 0.000 0.974 558 N HN 0.323 nan 8.380 nan 0.000 0.437 559 T N -2.285 112.290 114.554 0.035 0.000 3.004 559 T HA 0.137 4.490 4.350 0.006 0.000 0.266 559 T C 0.854 175.570 174.700 0.026 0.000 0.986 559 T CA -0.597 61.520 62.100 0.029 0.000 0.902 559 T CB 0.664 69.548 68.868 0.027 0.000 1.118 559 T HN 0.146 nan 8.240 nan 0.000 0.522 560 R N 1.112 121.630 120.500 0.030 0.000 2.649 560 R HA 0.463 4.807 4.340 0.006 0.000 0.270 560 R C -0.177 176.143 176.300 0.034 0.000 1.105 560 R CA -0.834 55.282 56.100 0.027 0.000 1.193 560 R CB 0.735 31.062 30.300 0.046 0.000 1.120 560 R HN 0.126 nan 8.270 nan 0.000 0.561 561 R N 2.233 122.753 120.500 0.032 0.000 2.335 561 R HA 0.285 4.628 4.340 0.006 0.000 0.302 561 R C -1.089 175.242 176.300 0.052 0.000 1.147 561 R CA -0.418 55.707 56.100 0.040 0.000 1.111 561 R CB 0.585 30.906 30.300 0.035 0.000 1.122 561 R HN 0.602 nan 8.270 nan 0.000 0.557 562 L N 5.501 126.763 121.223 0.064 0.000 2.272 562 L HA 0.432 4.775 4.340 0.006 0.000 0.289 562 L C -0.908 176.034 176.870 0.120 0.000 1.032 562 L CA -0.724 54.165 54.840 0.082 0.000 0.810 562 L CB 1.764 43.851 42.059 0.047 0.000 1.205 562 L HN 0.343 nan 8.230 nan 0.000 0.422 563 V N 5.050 125.022 119.914 0.095 0.000 2.398 563 V HA 0.260 4.384 4.120 0.006 0.000 0.286 563 V C 0.126 176.206 176.094 -0.025 0.000 1.026 563 V CA -0.590 61.731 62.300 0.035 0.000 0.868 563 V CB 1.693 33.498 31.823 -0.030 0.000 0.982 563 V HN 0.744 nan 8.190 nan 0.000 0.443 564 Q N 4.143 123.864 119.800 -0.131 0.000 2.286 564 Q HA 0.495 4.838 4.340 0.006 0.000 0.257 564 Q C -1.163 174.614 176.000 -0.373 0.000 0.941 564 Q CA -0.435 55.050 55.803 -0.529 0.000 0.912 564 Q CB 1.009 29.416 28.738 -0.553 0.000 1.192 564 Q HN 0.675 nan 8.270 nan 0.000 0.410 565 L N 3.886 124.858 121.223 -0.417 0.000 2.292 565 L HA 0.363 4.707 4.340 0.006 0.000 0.284 565 L C -0.520 176.226 176.870 -0.207 0.000 1.065 565 L CA -0.694 53.986 54.840 -0.266 0.000 0.806 565 L CB 1.199 43.107 42.059 -0.253 0.000 1.175 565 L HN 0.619 nan 8.230 nan 0.000 0.431 566 D N 2.403 122.727 120.400 -0.127 0.000 2.168 566 D HA 0.171 4.814 4.640 0.006 0.000 0.246 566 D C 0.623 176.893 176.300 -0.049 0.000 1.050 566 D CA -0.519 53.426 54.000 -0.091 0.000 0.857 566 D CB 2.674 43.434 40.800 -0.067 0.000 1.169 566 D HN 0.256 nan 8.370 nan 0.000 0.453 567 L N 1.940 123.139 121.223 -0.040 0.000 2.109 567 L HA -0.056 4.288 4.340 0.006 0.000 0.207 567 L C 0.168 177.030 176.870 -0.013 0.000 1.086 567 L CA 1.514 56.345 54.840 -0.015 0.000 0.760 567 L CB -0.365 41.687 42.059 -0.012 0.000 0.910 567 L HN 0.400 nan 8.230 nan 0.000 0.437 568 D N -0.792 119.596 120.400 -0.019 0.000 3.497 568 D HA -0.300 4.344 4.640 0.006 0.000 0.178 568 D C 0.062 176.357 176.300 -0.009 0.000 1.185 568 D CA 1.590 55.584 54.000 -0.010 0.000 1.091 568 D CB -0.982 39.818 40.800 0.000 0.000 0.574 568 D HN 0.357 nan 8.370 nan 0.000 0.650 569 D N 0.675 121.079 120.400 0.006 0.000 2.342 569 D HA 0.383 5.026 4.640 0.006 0.000 0.260 569 D C 0.785 177.072 176.300 -0.022 0.000 1.278 569 D CA 0.725 54.734 54.000 0.015 0.000 0.910 569 D CB 0.902 41.736 40.800 0.057 0.000 1.079 569 D HN 0.445 nan 8.370 nan 0.000 0.496 570 A N 4.157 126.905 122.820 -0.120 0.000 2.019 570 A HA -0.191 4.133 4.320 0.006 0.000 0.219 570 A C 1.518 178.994 177.584 -0.181 0.000 1.164 570 A CA 1.302 53.234 52.037 -0.175 0.000 0.644 570 A CB -0.505 18.338 19.000 -0.261 0.000 0.805 570 A HN 0.760 nan 8.150 nan 0.000 0.449 571 H N -0.575 118.513 119.070 0.031 0.000 2.403 571 H HA 0.137 4.696 4.556 0.006 0.000 0.298 571 H C 1.854 177.202 175.328 0.034 0.000 1.059 571 H CA 1.328 57.395 56.048 0.032 0.000 1.363 571 H CB -0.120 29.653 29.762 0.018 0.000 1.410 571 H HN 0.365 nan 8.280 nan 0.000 0.528 572 L N -0.159 121.142 121.223 0.131 0.000 2.109 572 L HA -0.137 4.207 4.340 0.006 0.000 0.207 572 L C 2.267 179.161 176.870 0.040 0.000 1.086 572 L CA 1.230 56.114 54.840 0.072 0.000 0.760 572 L CB -0.450 41.642 42.059 0.054 0.000 0.910 572 L HN 0.306 nan 8.230 nan 0.000 0.437 573 T N 0.164 114.738 114.554 0.034 0.000 2.652 573 T HA -0.221 4.132 4.350 0.006 0.000 0.267 573 T C 2.044 176.765 174.700 0.035 0.000 1.039 573 T CA 1.527 63.638 62.100 0.017 0.000 1.153 573 T CB -0.298 68.586 68.868 0.026 0.000 0.863 573 T HN 0.448 nan 8.240 nan 0.000 0.428 574 A N 1.351 124.252 122.820 0.135 0.000 1.940 574 A HA 0.044 4.367 4.320 0.006 0.000 0.219 574 A C 2.618 180.321 177.584 0.198 0.000 1.176 574 A CA 2.027 54.250 52.037 0.310 0.000 0.631 574 A CB -1.419 17.749 19.000 0.279 0.000 0.814 574 A HN 0.530 nan 8.150 nan 0.000 0.446 575 G N -0.177 108.682 108.800 0.098 0.000 2.421 575 G HA2 -0.175 3.788 3.960 0.006 0.000 0.216 575 G HA3 -0.175 3.788 3.960 0.006 0.000 0.216 575 G C 1.554 176.419 174.900 -0.059 0.000 1.171 575 G CA 1.186 46.310 45.100 0.040 0.000 0.775 575 G HN 0.580 nan 8.290 nan 0.000 0.543 576 L N 0.090 121.251 121.223 -0.103 0.000 2.017 576 L HA 0.110 4.453 4.340 0.006 0.000 0.208 576 L C 2.679 179.339 176.870 -0.350 0.000 1.073 576 L CA 1.332 56.047 54.840 -0.209 0.000 0.745 576 L CB -0.228 41.729 42.059 -0.170 0.000 0.894 576 L HN 0.190 nan 8.230 nan 0.000 0.432 577 L N -0.610 120.357 121.223 -0.427 0.000 2.141 577 L HA -0.178 4.165 4.340 0.006 0.000 0.209 577 L C 2.201 178.541 176.870 -0.884 0.000 1.094 577 L CA 0.936 55.269 54.840 -0.845 0.000 0.763 577 L CB -0.738 40.452 42.059 -1.448 0.000 0.908 577 L HN 0.311 nan 8.230 nan 0.000 0.437 578 D N 0.277 120.468 120.400 -0.349 0.000 2.116 578 D HA -0.252 4.392 4.640 0.006 0.000 0.193 578 D C 2.104 178.305 176.300 -0.164 0.000 0.998 578 D CA 1.351 55.337 54.000 -0.024 0.000 0.836 578 D CB 0.024 40.910 40.800 0.143 0.000 0.951 578 D HN 0.213 nan 8.370 nan 0.000 0.449 579 K N 0.262 120.520 120.400 -0.237 0.000 2.057 579 K HA -0.064 4.260 4.320 0.006 0.000 0.206 579 K C 2.252 178.650 176.600 -0.336 0.000 1.050 579 K CA 0.680 56.813 56.287 -0.256 0.000 0.935 579 K CB -0.058 32.245 32.500 -0.330 0.000 0.715 579 K HN 0.112 nan 8.250 nan 0.000 0.439 580 L N 0.283 121.206 121.223 -0.500 0.000 2.109 580 L HA -0.103 4.240 4.340 0.006 0.000 0.207 580 L C 1.986 178.579 176.870 -0.462 0.000 1.086 580 L CA 0.970 55.476 54.840 -0.557 0.000 0.760 580 L CB -0.087 41.541 42.059 -0.718 0.000 0.910 580 L HN 0.239 nan 8.230 nan 0.000 0.437 581 L N -1.560 119.407 121.223 -0.427 0.000 2.840 581 L HA 0.348 4.691 4.340 0.006 0.000 0.249 581 L C 0.806 177.653 176.870 -0.038 0.000 1.119 581 L CA -0.345 54.317 54.840 -0.296 0.000 0.930 581 L CB 0.476 42.265 42.059 -0.451 0.000 1.295 581 L HN 0.011 nan 8.230 nan 0.000 0.534 582 A N 0.369 123.196 122.820 0.011 0.000 2.309 582 A HA 0.226 4.550 4.320 0.006 0.000 0.298 582 A C 1.144 178.778 177.584 0.085 0.000 1.165 582 A CA -0.288 51.832 52.037 0.138 0.000 0.821 582 A CB 0.992 20.113 19.000 0.202 0.000 1.102 582 A HN 0.128 nan 8.150 nan 0.000 0.500 583 K N 1.839 122.293 120.400 0.091 0.000 2.057 583 K HA -0.171 4.153 4.320 0.006 0.000 0.207 583 K C 1.717 178.354 176.600 0.062 0.000 1.049 583 K CA 1.934 58.266 56.287 0.074 0.000 0.931 583 K CB -0.118 32.422 32.500 0.068 0.000 0.714 583 K HN 0.819 nan 8.250 nan 0.000 0.440 584 K N -0.208 120.227 120.400 0.059 0.000 2.515 584 K HA -0.073 4.250 4.320 0.006 0.000 0.196 584 K C 1.051 177.678 176.600 0.046 0.000 1.038 584 K CA 0.766 57.082 56.287 0.048 0.000 0.967 584 K CB 0.124 32.650 32.500 0.043 0.000 0.780 584 K HN -0.025 nan 8.250 nan 0.000 0.483 585 R N 0.435 120.963 120.500 0.047 0.000 2.427 585 R HA 0.231 4.574 4.340 0.006 0.000 0.262 585 R C 1.624 177.953 176.300 0.048 0.000 0.943 585 R CA 0.542 56.663 56.100 0.036 0.000 1.081 585 R CB 0.173 30.479 30.300 0.010 0.000 1.166 585 R HN 0.313 nan 8.270 nan 0.000 0.534 586 A N 1.390 124.245 122.820 0.060 0.000 1.903 586 A HA -0.253 4.071 4.320 0.006 0.000 0.219 586 A C 2.288 179.920 177.584 0.079 0.000 1.191 586 A CA 2.239 54.321 52.037 0.075 0.000 0.638 586 A CB -0.414 18.628 19.000 0.069 0.000 0.823 586 A HN 0.339 nan 8.150 nan 0.000 0.451 587 A N -0.096 122.763 122.820 0.064 0.000 1.898 587 A HA -0.142 4.181 4.320 0.006 0.000 0.216 587 A C 1.699 179.329 177.584 0.078 0.000 1.181 587 A CA 1.934 54.010 52.037 0.064 0.000 0.620 587 A CB -0.766 18.264 19.000 0.049 0.000 0.819 587 A HN 0.540 nan 8.150 nan 0.000 0.442 588 D N -0.861 119.581 120.400 0.070 0.000 2.123 588 D HA -0.154 4.489 4.640 0.006 0.000 0.196 588 D C 2.103 178.486 176.300 0.137 0.000 0.992 588 D CA 1.526 55.572 54.000 0.077 0.000 0.833 588 D CB -0.186 40.634 40.800 0.032 0.000 0.954 588 D HN 0.490 nan 8.370 nan 0.000 0.455 589 R N 0.832 121.417 120.500 0.141 0.000 2.066 589 R HA -0.124 4.219 4.340 0.006 0.000 0.232 589 R C 2.070 178.566 176.300 0.327 0.000 1.131 589 R CA 1.367 57.626 56.100 0.264 0.000 0.955 589 R CB -0.005 30.421 30.300 0.210 0.000 0.851 589 R HN 0.071 nan 8.270 nan 0.000 0.432 590 K N 0.406 120.922 120.400 0.193 0.000 2.063 590 K HA -0.266 4.058 4.320 0.006 0.000 0.208 590 K C 2.145 178.819 176.600 0.123 0.000 1.048 590 K CA 1.988 58.356 56.287 0.136 0.000 0.928 590 K CB -0.141 32.412 32.500 0.088 0.000 0.713 590 K HN 0.290 nan 8.250 nan 0.000 0.442 591 Q N -0.372 119.510 119.800 0.137 0.000 2.079 591 Q HA -0.209 4.134 4.340 0.006 0.000 0.200 591 Q C 1.927 178.023 176.000 0.159 0.000 0.974 591 Q CA 1.743 57.617 55.803 0.117 0.000 0.840 591 Q CB -0.354 28.447 28.738 0.106 0.000 0.898 591 Q HN 0.566 nan 8.270 nan 0.000 0.430 592 W N 1.246 122.557 121.300 0.019 0.000 2.318 592 W HA -0.228 4.435 4.660 0.005 0.000 0.313 592 W C 1.542 178.071 176.519 0.016 0.000 1.221 592 W CA 1.750 59.107 57.345 0.021 0.000 1.266 592 W CB -0.460 29.018 29.460 0.031 0.000 1.150 592 W HN 0.183 nan 8.180 nan 0.000 0.496 593 L N 0.347 121.499 121.223 -0.118 0.000 2.046 593 L HA -0.196 4.148 4.340 0.006 0.000 0.208 593 L C 2.442 179.182 176.870 -0.217 0.000 1.077 593 L CA 1.873 56.513 54.840 -0.333 0.000 0.747 593 L CB -0.878 41.084 42.059 -0.163 0.000 0.896 593 L HN 0.012 nan 8.230 nan 0.000 0.432 594 E N -0.538 119.604 120.200 -0.096 0.000 2.268 594 E HA -0.213 4.141 4.350 0.006 0.000 0.195 594 E C 2.135 178.691 176.600 -0.073 0.000 0.995 594 E CA 0.805 57.162 56.400 -0.070 0.000 0.836 594 E CB 0.055 29.741 29.700 -0.024 0.000 0.763 594 E HN 0.594 nan 8.360 nan 0.000 0.491 595 Q N -0.005 119.750 119.800 -0.074 0.000 2.259 595 Q HA 0.047 4.391 4.340 0.006 0.000 0.201 595 Q C 1.443 177.383 176.000 -0.100 0.000 0.938 595 Q CA 0.660 56.431 55.803 -0.054 0.000 0.872 595 Q CB 0.367 29.110 28.738 0.007 0.000 0.971 595 Q HN 0.019 nan 8.270 nan 0.000 0.494 596 K N -0.332 119.944 120.400 -0.206 0.000 2.374 596 K HA 0.162 4.485 4.320 0.006 0.000 0.202 596 K C 1.687 178.120 176.600 -0.279 0.000 1.040 596 K CA 0.311 56.455 56.287 -0.239 0.000 1.085 596 K CB 0.787 33.093 32.500 -0.322 0.000 0.873 596 K HN 0.147 nan 8.250 nan 0.000 0.539 597 G N 3.238 111.864 108.800 -0.289 0.000 2.469 597 G HA2 -0.314 3.649 3.960 0.006 0.000 0.220 597 G HA3 -0.314 3.649 3.960 0.006 0.000 0.220 597 G C 1.311 176.109 174.900 -0.170 0.000 1.136 597 G CA 1.182 46.124 45.100 -0.262 0.000 0.759 597 G HN 0.407 nan 8.290 nan 0.000 0.562 598 N N 1.021 119.647 118.700 -0.124 0.000 2.443 598 N HA -0.057 4.686 4.740 0.006 0.000 0.184 598 N C 1.874 177.344 175.510 -0.066 0.000 1.037 598 N CA 0.692 53.695 53.050 -0.078 0.000 0.896 598 N CB -0.431 38.023 38.487 -0.056 0.000 0.959 598 N HN 0.408 nan 8.380 nan 0.000 0.442 599 L N 0.205 121.378 121.223 -0.084 0.000 2.591 599 L HA 0.262 4.605 4.340 0.006 0.000 0.228 599 L C 1.049 177.888 176.870 -0.051 0.000 1.133 599 L CA -0.328 54.478 54.840 -0.056 0.000 0.880 599 L CB -0.342 41.689 42.059 -0.048 0.000 1.033 599 L HN 0.066 nan 8.230 nan 0.000 0.450 600 A N 0.656 123.430 122.820 -0.076 0.000 2.546 600 A HA 0.005 4.329 4.320 0.006 0.000 0.243 600 A C 0.481 178.054 177.584 -0.018 0.000 1.063 600 A CA -0.220 51.783 52.037 -0.056 0.000 0.757 600 A CB -0.075 18.879 19.000 -0.077 0.000 0.991 600 A HN 0.209 nan 8.150 nan 0.000 0.503 1011 N N 2.588 121.279 118.700 -0.015 0.000 2.229 1011 N HA 0.533 5.276 4.740 0.006 0.000 0.298 1011 N C -1.340 174.152 175.510 -0.029 0.000 1.114 1011 N CA -0.643 52.379 53.050 -0.046 0.000 0.776 1011 N CB 2.341 40.797 38.487 -0.051 0.000 1.501 1011 N HN 0.416 nan 8.380 nan 0.000 0.474 1012 R N 0.352 120.823 120.500 -0.050 0.000 2.584 1012 R HA 0.200 4.544 4.340 0.006 0.000 0.276 1012 R C -0.773 175.518 176.300 -0.015 0.000 1.046 1012 R CA -0.496 55.599 56.100 -0.009 0.000 0.906 1012 R CB 1.703 32.016 30.300 0.022 0.000 1.215 1012 R HN 0.588 nan 8.270 nan 0.000 0.449 1013 S N 2.093 117.806 115.700 0.021 0.000 2.549 1013 S HA -0.015 4.459 4.470 0.006 0.000 0.286 1013 S C 1.155 175.793 174.600 0.064 0.000 1.314 1013 S CA -0.289 57.926 58.200 0.026 0.000 1.062 1013 S CB 1.392 64.614 63.200 0.035 0.000 0.865 1013 S HN 0.508 nan 8.310 nan 0.000 0.498 1014 V N 5.196 125.136 119.914 0.043 0.000 2.515 1014 V HA -0.035 4.089 4.120 0.006 0.000 0.250 1014 V C 2.503 178.670 176.094 0.122 0.000 1.058 1014 V CA 2.489 64.844 62.300 0.091 0.000 1.064 1014 V CB -1.226 30.629 31.823 0.052 0.000 0.675 1014 V HN 1.040 nan 8.190 nan 0.000 0.461 1015 A N -0.643 122.214 122.820 0.061 0.000 1.902 1015 A HA -0.234 4.089 4.320 0.006 0.000 0.217 1015 A C 2.070 179.684 177.584 0.051 0.000 1.181 1015 A CA 1.954 54.005 52.037 0.024 0.000 0.623 1015 A CB -0.506 18.495 19.000 0.001 0.000 0.818 1015 A HN 0.675 nan 8.150 nan 0.000 0.443 1016 E N -1.528 118.724 120.200 0.086 0.000 2.072 1016 E HA -0.117 4.237 4.350 0.006 0.000 0.190 1016 E C 1.752 178.432 176.600 0.133 0.000 0.982 1016 E CA 1.096 57.556 56.400 0.099 0.000 0.803 1016 E CB -0.243 29.516 29.700 0.097 0.000 0.755 1016 E HN 0.688 nan 8.360 nan 0.000 0.453 1017 F N 1.830 121.802 119.950 0.036 0.000 2.075 1017 F HA -0.240 4.290 4.527 0.005 0.000 0.297 1017 F C 2.607 178.449 175.800 0.070 0.000 1.113 1017 F CA 2.116 60.146 58.000 0.049 0.000 1.218 1017 F CB -0.603 38.418 39.000 0.035 0.000 0.984 1017 F HN -0.013 nan 8.300 nan 0.000 0.472 1018 T N -2.352 112.235 114.554 0.055 0.000 2.904 1018 T HA -0.171 4.182 4.350 0.006 0.000 0.267 1018 T C 1.872 176.562 174.700 -0.016 0.000 1.059 1018 T CA 1.227 63.301 62.100 -0.043 0.000 1.137 1018 T CB -0.717 68.166 68.868 0.025 0.000 0.879 1018 T HN 0.570 nan 8.240 nan 0.000 0.467 1019 E N 0.588 120.797 120.200 0.014 0.000 2.085 1019 E HA -0.236 4.117 4.350 0.006 0.000 0.194 1019 E C 2.496 179.234 176.600 0.231 0.000 0.994 1019 E CA 1.000 57.470 56.400 0.116 0.000 0.801 1019 E CB -0.163 29.598 29.700 0.102 0.000 0.743 1019 E HN 0.526 nan 8.360 nan 0.000 0.453 1020 Q N 0.054 119.903 119.800 0.081 0.000 2.046 1020 Q HA -0.129 4.214 4.340 0.006 0.000 0.200 1020 Q C 2.077 178.075 176.000 -0.002 0.000 0.975 1020 Q CA 1.415 57.244 55.803 0.043 0.000 0.836 1020 Q CB -0.145 28.582 28.738 -0.018 0.000 0.896 1020 Q HN 0.355 nan 8.270 nan 0.000 0.428 1021 A N -0.229 122.507 122.820 -0.140 0.000 1.902 1021 A HA -0.205 4.118 4.320 0.006 0.000 0.217 1021 A C 1.913 179.566 177.584 0.114 0.000 1.181 1021 A CA 1.421 53.383 52.037 -0.125 0.000 0.623 1021 A CB -0.914 17.868 19.000 -0.364 0.000 0.818 1021 A HN 0.538 nan 8.150 nan 0.000 0.443 1022 Y N -0.593 119.759 120.300 0.087 0.000 2.337 1022 Y HA 0.000 4.553 4.550 0.005 0.000 0.293 1022 Y C 1.979 178.072 175.900 0.322 0.000 1.123 1022 Y CA 1.109 59.351 58.100 0.236 0.000 1.201 1022 Y CB -0.176 38.409 38.460 0.208 0.000 1.011 1022 Y HN 0.248 nan 8.280 nan 0.000 0.545 1023 L N 0.798 122.250 121.223 0.383 0.000 2.013 1023 L HA -0.273 4.070 4.340 0.006 0.000 0.212 1023 L C 2.035 178.864 176.870 -0.068 0.000 1.073 1023 L CA 2.514 57.393 54.840 0.064 0.000 0.753 1023 L CB -1.218 40.855 42.059 0.023 0.000 0.890 1023 L HN 0.372 nan 8.230 nan 0.000 0.432 1024 N N -2.204 116.495 118.700 -0.001 0.000 2.084 1024 N HA -0.314 4.429 4.740 0.006 0.000 0.190 1024 N C 2.063 177.564 175.510 -0.015 0.000 1.030 1024 N CA 1.556 54.600 53.050 -0.010 0.000 0.849 1024 N CB -0.432 38.062 38.487 0.011 0.000 1.012 1024 N HN 0.500 nan 8.380 nan 0.000 0.423 1025 Y N 0.880 121.102 120.300 -0.130 0.000 2.097 1025 Y HA -0.159 4.394 4.550 0.005 0.000 0.282 1025 Y C 2.196 177.949 175.900 -0.244 0.000 1.152 1025 Y CA 1.891 59.876 58.100 -0.192 0.000 1.136 1025 Y CB -0.850 37.446 38.460 -0.273 0.000 0.975 1025 Y HN 0.181 nan 8.280 nan 0.000 0.498 1026 A N 0.425 122.888 122.820 -0.596 0.000 1.877 1026 A HA -0.178 4.145 4.320 0.006 0.000 0.216 1026 A C 2.198 179.531 177.584 -0.417 0.000 1.186 1026 A CA 2.051 53.706 52.037 -0.638 0.000 0.620 1026 A CB -0.723 18.023 19.000 -0.424 0.000 0.822 1026 A HN 0.521 nan 8.150 nan 0.000 0.443 1027 M N -1.958 117.470 119.600 -0.287 0.000 2.213 1027 M HA -0.084 4.400 4.480 0.006 0.000 0.263 1027 M C 2.058 178.251 176.300 -0.178 0.000 1.062 1027 M CA 1.180 56.354 55.300 -0.211 0.000 1.105 1027 M CB -1.390 31.108 32.600 -0.170 0.000 1.385 1027 M HN 0.647 nan 8.290 nan 0.000 0.417 1028 Y N 1.299 121.437 120.300 -0.270 0.000 2.114 1028 Y HA -0.218 4.335 4.550 0.005 0.000 0.284 1028 Y C 2.335 178.083 175.900 -0.253 0.000 1.143 1028 Y CA 2.397 60.365 58.100 -0.220 0.000 1.135 1028 Y CB -0.321 38.027 38.460 -0.186 0.000 0.980 1028 Y HN 0.082 nan 8.280 nan 0.000 0.499 1029 V N -1.389 118.377 119.914 -0.246 0.000 2.427 1029 V HA -0.225 3.899 4.120 0.006 0.000 0.248 1029 V C 2.151 178.090 176.094 -0.259 0.000 1.051 1029 V CA 1.925 64.059 62.300 -0.277 0.000 1.048 1029 V CB -1.064 30.522 31.823 -0.395 0.000 0.666 1029 V HN 0.460 nan 8.190 nan 0.000 0.456 1030 I N -0.212 120.203 120.570 -0.259 0.000 2.226 1030 I HA -0.218 3.955 4.170 0.006 0.000 0.245 1030 I C 2.747 178.760 176.117 -0.173 0.000 1.100 1030 I CA 2.257 63.445 61.300 -0.186 0.000 1.374 1030 I CB -0.224 37.675 38.000 -0.169 0.000 1.057 1030 I HN 0.253 nan 8.210 nan 0.000 0.413 1031 M N -0.544 118.927 119.600 -0.214 0.000 2.419 1031 M HA -0.147 4.336 4.480 0.006 0.000 0.264 1031 M C 1.636 177.800 176.300 -0.226 0.000 1.082 1031 M CA 1.321 56.505 55.300 -0.194 0.000 1.119 1031 M CB -0.345 32.140 32.600 -0.192 0.000 1.398 1031 M HN 0.156 nan 8.290 nan 0.000 0.453 1032 D N 0.250 120.461 120.400 -0.315 0.000 2.120 1032 D HA -0.071 4.572 4.640 0.006 0.000 0.202 1032 D C 2.122 178.333 176.300 -0.149 0.000 0.972 1032 D CA 1.102 54.932 54.000 -0.284 0.000 0.837 1032 D CB 0.403 40.957 40.800 -0.408 0.000 0.989 1032 D HN 0.015 nan 8.370 nan 0.000 0.469 1033 R N -0.636 119.788 120.500 -0.125 0.000 2.316 1033 R HA 0.430 4.773 4.340 0.006 0.000 0.201 1033 R C 1.100 177.370 176.300 -0.051 0.000 0.888 1033 R CA 0.700 56.760 56.100 -0.067 0.000 1.041 1033 R CB 0.583 30.855 30.300 -0.047 0.000 1.115 1033 R HN 0.184 nan 8.270 nan 0.000 0.559 1034 A N 0.654 123.433 122.820 -0.068 0.000 2.083 1034 A HA 0.395 4.718 4.320 0.006 0.000 0.209 1034 A C 0.470 178.028 177.584 -0.044 0.000 1.969 1034 A CA -0.062 51.947 52.037 -0.046 0.000 0.933 1034 A CB 0.102 19.072 19.000 -0.049 0.000 1.304 1034 A HN 0.027 nan 8.150 nan 0.000 0.621 1035 L N 2.426 123.613 121.223 -0.061 0.000 2.264 1035 L HA 0.365 4.708 4.340 0.006 0.000 0.289 1035 L C -2.395 174.445 176.870 -0.051 0.000 1.044 1035 L CA -1.883 52.924 54.840 -0.055 0.000 0.807 1035 L CB 1.228 43.246 42.059 -0.067 0.000 1.192 1035 L HN 0.275 nan 8.230 nan 0.000 0.425 1036 P HA 0.085 nan 4.420 nan 0.000 0.276 1036 P C -0.780 176.519 177.300 -0.002 0.000 1.261 1036 P CA -0.411 62.682 63.100 -0.012 0.000 0.800 1036 P CB 0.845 32.543 31.700 -0.005 0.000 1.066 1037 H N 0.942 119.980 119.070 -0.053 0.000 2.610 1037 H HA 0.134 4.694 4.556 0.006 0.000 0.336 1037 H C 1.230 176.547 175.328 -0.019 0.000 1.087 1037 H CA -0.029 55.991 56.048 -0.046 0.000 1.405 1037 H CB 1.124 30.851 29.762 -0.058 0.000 1.460 1037 H HN 0.371 nan 8.280 nan 0.000 0.538 1038 I N 3.465 123.875 120.570 -0.266 0.000 2.335 1038 I HA -0.309 3.865 4.170 0.006 0.000 0.251 1038 I C 2.159 178.378 176.117 0.169 0.000 1.129 1038 I CA 1.570 62.834 61.300 -0.060 0.000 1.402 1038 I CB 0.000 37.935 38.000 -0.109 0.000 1.069 1038 I HN 0.640 nan 8.210 nan 0.000 0.424 1039 S N 0.988 116.887 115.700 0.331 0.000 2.356 1039 S HA -0.219 4.255 4.470 0.006 0.000 0.223 1039 S C 1.401 176.179 174.600 0.296 0.000 1.032 1039 S CA 1.543 59.932 58.200 0.315 0.000 1.005 1039 S CB -0.457 62.880 63.200 0.228 0.000 0.867 1039 S HN 0.740 nan 8.310 nan 0.000 0.449 1040 D N -1.348 119.165 120.400 0.188 0.000 2.520 1040 D HA 0.317 4.961 4.640 0.006 0.000 0.223 1040 D C 1.215 177.550 176.300 0.059 0.000 1.186 1040 D CA 0.350 54.412 54.000 0.103 0.000 0.821 1040 D CB -0.357 40.453 40.800 0.017 0.000 1.072 1040 D HN 0.624 nan 8.370 nan 0.000 0.518 1041 G N 0.526 109.363 108.800 0.062 0.000 2.153 1041 G HA2 -0.250 3.713 3.960 0.006 0.000 0.252 1041 G HA3 -0.250 3.713 3.960 0.006 0.000 0.252 1041 G C -0.122 174.793 174.900 0.025 0.000 0.994 1041 G CA 0.627 45.739 45.100 0.019 0.000 0.698 1041 G HN 0.411 nan 8.290 nan 0.000 0.521 1042 L N -0.969 120.273 121.223 0.032 0.000 2.322 1042 L HA 0.674 5.017 4.340 0.006 0.000 0.269 1042 L C 0.582 177.450 176.870 -0.004 0.000 1.012 1042 L CA -1.155 53.693 54.840 0.014 0.000 0.815 1042 L CB 1.651 43.705 42.059 -0.008 0.000 1.295 1042 L HN -0.018 nan 8.230 nan 0.000 0.438 1043 K N 1.204 121.587 120.400 -0.027 0.000 2.139 1043 K HA 0.342 4.666 4.320 0.006 0.000 0.243 1043 K C -1.780 174.765 176.600 -0.091 0.000 0.983 1043 K CA -1.594 54.656 56.287 -0.061 0.000 0.890 1043 K CB 1.358 33.816 32.500 -0.070 0.000 1.090 1043 K HN 0.162 nan 8.250 nan 0.000 0.445 1044 P HA -0.273 nan 4.420 nan 0.000 0.217 1044 P C 1.356 178.555 177.300 -0.168 0.000 1.162 1044 P CA 0.961 64.002 63.100 -0.098 0.000 0.901 1044 P CB 0.148 31.820 31.700 -0.046 0.000 0.793 1045 V N -0.591 119.118 119.914 -0.342 0.000 2.407 1045 V HA -0.312 3.812 4.120 0.006 0.000 0.248 1045 V C 2.185 178.143 176.094 -0.227 0.000 1.055 1045 V CA 2.019 64.002 62.300 -0.528 0.000 1.049 1045 V CB -1.003 30.409 31.823 -0.685 0.000 0.662 1045 V HN 0.144 nan 8.190 nan 0.000 0.455 1046 Q N -0.514 119.196 119.800 -0.151 0.000 2.079 1046 Q HA -0.196 4.147 4.340 0.006 0.000 0.200 1046 Q C 2.462 178.418 176.000 -0.073 0.000 0.974 1046 Q CA 1.830 57.579 55.803 -0.091 0.000 0.840 1046 Q CB -0.311 28.400 28.738 -0.046 0.000 0.898 1046 Q HN 0.582 nan 8.270 nan 0.000 0.430 1047 R N 1.010 121.462 120.500 -0.080 0.000 2.081 1047 R HA -0.112 4.232 4.340 0.006 0.000 0.235 1047 R C 2.124 178.382 176.300 -0.071 0.000 1.131 1047 R CA 1.286 57.336 56.100 -0.085 0.000 0.960 1047 R CB 0.101 30.328 30.300 -0.121 0.000 0.856 1047 R HN 0.123 nan 8.270 nan 0.000 0.436 1048 R N -0.070 120.391 120.500 -0.065 0.000 2.092 1048 R HA -0.057 4.286 4.340 0.006 0.000 0.231 1048 R C 2.313 178.606 176.300 -0.012 0.000 1.119 1048 R CA 1.452 57.533 56.100 -0.033 0.000 0.970 1048 R CB -0.295 30.049 30.300 0.074 0.000 0.864 1048 R HN 0.263 nan 8.270 nan 0.000 0.440 1049 I N 0.094 120.655 120.570 -0.015 0.000 2.142 1049 I HA -0.287 3.887 4.170 0.006 0.000 0.240 1049 I C 2.180 178.284 176.117 -0.021 0.000 1.078 1049 I CA 1.283 62.581 61.300 -0.004 0.000 1.343 1049 I CB -0.192 37.793 38.000 -0.025 0.000 1.046 1049 I HN -0.024 nan 8.210 nan 0.000 0.405 1050 V N -0.005 119.892 119.914 -0.028 0.000 2.295 1050 V HA -0.320 3.803 4.120 0.006 0.000 0.246 1050 V C 2.246 178.334 176.094 -0.009 0.000 1.049 1050 V CA 1.964 64.251 62.300 -0.023 0.000 1.024 1050 V CB -0.811 30.999 31.823 -0.021 0.000 0.648 1050 V HN 0.418 nan 8.190 nan 0.000 0.447 1051 Y N 1.567 121.780 120.300 -0.146 0.000 2.145 1051 Y HA -0.217 4.336 4.550 0.005 0.000 0.286 1051 Y C 2.410 178.224 175.900 -0.143 0.000 1.145 1051 Y CA 1.471 59.463 58.100 -0.180 0.000 1.148 1051 Y CB -0.808 37.471 38.460 -0.303 0.000 0.981 1051 Y HN 0.140 nan 8.280 nan 0.000 0.507 1052 A N 0.430 123.067 122.820 -0.305 0.000 1.908 1052 A HA -0.255 4.068 4.320 0.006 0.000 0.218 1052 A C 2.327 179.830 177.584 -0.136 0.000 1.181 1052 A CA 2.318 54.230 52.037 -0.208 0.000 0.627 1052 A CB -0.869 18.167 19.000 0.060 0.000 0.818 1052 A HN 0.612 nan 8.150 nan 0.000 0.445 1053 M N -1.130 118.419 119.600 -0.085 0.000 2.229 1053 M HA -0.098 4.385 4.480 0.006 0.000 0.264 1053 M C 2.492 178.752 176.300 -0.066 0.000 1.063 1053 M CA 1.475 56.747 55.300 -0.046 0.000 1.114 1053 M CB -0.282 32.306 32.600 -0.020 0.000 1.387 1053 M HN 0.506 nan 8.290 nan 0.000 0.420 1054 S N 0.303 115.939 115.700 -0.105 0.000 2.356 1054 S HA -0.143 4.330 4.470 0.006 0.000 0.223 1054 S C 1.833 176.367 174.600 -0.111 0.000 1.032 1054 S CA 1.244 59.392 58.200 -0.086 0.000 1.005 1054 S CB -0.109 63.056 63.200 -0.059 0.000 0.867 1054 S HN 0.372 nan 8.310 nan 0.000 0.449 1055 E N 0.935 120.997 120.200 -0.231 0.000 2.150 1055 E HA -0.020 4.334 4.350 0.006 0.000 0.193 1055 E C 1.916 178.474 176.600 -0.069 0.000 0.985 1055 E CA 0.590 56.886 56.400 -0.173 0.000 0.814 1055 E CB -0.378 29.157 29.700 -0.277 0.000 0.752 1055 E HN 0.519 nan 8.360 nan 0.000 0.466 1056 L N -0.252 120.937 121.223 -0.057 0.000 2.551 1056 L HA 0.005 4.348 4.340 0.006 0.000 0.228 1056 L C 1.265 178.132 176.870 -0.005 0.000 1.153 1056 L CA 0.577 55.408 54.840 -0.014 0.000 0.851 1056 L CB -0.227 41.832 42.059 0.000 0.000 0.959 1056 L HN 0.247 nan 8.230 nan 0.000 0.451 1057 G N 0.154 108.947 108.800 -0.012 0.000 2.143 1057 G HA2 -0.289 3.675 3.960 0.006 0.000 0.248 1057 G HA3 -0.289 3.675 3.960 0.006 0.000 0.248 1057 G C 0.395 175.300 174.900 0.009 0.000 0.991 1057 G CA -0.160 44.941 45.100 0.002 0.000 0.689 1057 G HN 0.286 nan 8.290 nan 0.000 0.522 1058 L N 0.857 122.084 121.223 0.006 0.000 2.821 1058 L HA 0.172 4.515 4.340 0.006 0.000 0.239 1058 L C 1.033 177.915 176.870 0.019 0.000 1.391 1058 L CA -0.287 54.563 54.840 0.016 0.000 1.231 1058 L CB -0.223 41.846 42.059 0.018 0.000 1.598 1058 L HN 0.071 nan 8.230 nan 0.000 0.428 1059 K N 0.263 120.676 120.400 0.022 0.000 2.380 1059 K HA -0.004 4.320 4.320 0.006 0.000 0.267 1059 K C 1.488 178.110 176.600 0.037 0.000 0.990 1059 K CA 0.287 56.591 56.287 0.029 0.000 0.946 1059 K CB 0.975 33.495 32.500 0.032 0.000 0.937 1059 K HN 0.294 nan 8.250 nan 0.000 0.491 1060 S N -0.022 115.705 115.700 0.046 0.000 2.442 1060 S HA -0.153 4.320 4.470 0.006 0.000 0.236 1060 S C 1.680 176.310 174.600 0.050 0.000 1.007 1060 S CA 1.451 59.682 58.200 0.053 0.000 0.965 1060 S CB -0.223 63.021 63.200 0.073 0.000 0.773 1060 S HN 0.611 nan 8.310 nan 0.000 0.504 1061 S N 0.636 116.364 115.700 0.047 0.000 2.522 1061 S HA 0.364 4.837 4.470 0.006 0.000 0.227 1061 S C 1.065 175.687 174.600 0.037 0.000 0.986 1061 S CA 0.055 58.279 58.200 0.041 0.000 0.929 1061 S CB -0.528 62.695 63.200 0.038 0.000 0.769 1061 S HN 0.705 nan 8.310 nan 0.000 0.529 1062 G N 0.672 109.494 108.800 0.037 0.000 2.828 1062 G HA2 0.543 4.507 3.960 0.006 0.000 0.244 1062 G HA3 0.543 4.507 3.960 0.006 0.000 0.244 1062 G C -0.951 173.973 174.900 0.039 0.000 1.365 1062 G CA -1.146 43.975 45.100 0.035 0.000 1.041 1062 G HN 0.288 nan 8.290 nan 0.000 0.560 1063 K N 1.010 121.433 120.400 0.038 0.000 2.185 1063 K HA 0.331 4.655 4.320 0.006 0.000 0.271 1063 K C -2.188 174.442 176.600 0.050 0.000 1.013 1063 K CA -1.054 55.259 56.287 0.044 0.000 0.943 1063 K CB 1.165 33.689 32.500 0.040 0.000 0.998 1063 K HN 0.191 nan 8.250 nan 0.000 0.468 1064 P HA 0.146 nan 4.420 nan 0.000 0.274 1064 P C -1.015 176.327 177.300 0.070 0.000 1.246 1064 P CA -0.383 62.763 63.100 0.076 0.000 0.795 1064 P CB 0.724 32.487 31.700 0.106 0.000 1.006 1065 K N 0.438 120.882 120.400 0.074 0.000 2.352 1065 K HA 0.392 4.716 4.320 0.006 0.000 0.240 1065 K C -0.257 176.388 176.600 0.075 0.000 1.017 1065 K CA -1.127 55.197 56.287 0.061 0.000 0.851 1065 K CB 1.025 33.552 32.500 0.046 0.000 1.261 1065 K HN 0.190 nan 8.250 nan 0.000 0.451 1066 K N 0.983 121.412 120.400 0.049 0.000 2.527 1066 K HA -0.014 4.309 4.320 0.006 0.000 0.278 1066 K C 0.842 177.470 176.600 0.046 0.000 0.981 1066 K CA 0.450 56.757 56.287 0.033 0.000 1.009 1066 K CB 0.423 32.912 32.500 -0.018 0.000 0.895 1066 K HN 0.590 nan 8.250 nan 0.000 0.493 1067 S N 1.979 117.720 115.700 0.067 0.000 2.387 1067 S HA -0.240 4.233 4.470 0.006 0.000 0.230 1067 S C 1.889 176.488 174.600 -0.002 0.000 1.035 1067 S CA 1.445 59.712 58.200 0.112 0.000 1.014 1067 S CB -0.171 63.169 63.200 0.232 0.000 0.836 1067 S HN 0.731 nan 8.310 nan 0.000 0.466 1068 A N 1.922 124.680 122.820 -0.103 0.000 1.958 1068 A HA -0.243 4.080 4.320 0.006 0.000 0.221 1068 A C 2.082 179.643 177.584 -0.038 0.000 1.178 1068 A CA 2.168 54.138 52.037 -0.112 0.000 0.642 1068 A CB -0.605 18.311 19.000 -0.140 0.000 0.816 1068 A HN 0.382 nan 8.150 nan 0.000 0.453 1069 R N -0.578 119.916 120.500 -0.011 0.000 2.081 1069 R HA -0.076 4.268 4.340 0.006 0.000 0.235 1069 R C 2.158 178.477 176.300 0.031 0.000 1.131 1069 R CA 2.473 58.578 56.100 0.009 0.000 0.960 1069 R CB -1.261 29.048 30.300 0.016 0.000 0.856 1069 R HN 0.452 nan 8.270 nan 0.000 0.436 1070 T N -0.188 114.395 114.554 0.049 0.000 2.777 1070 T HA -0.061 4.292 4.350 0.006 0.000 0.266 1070 T C 1.764 176.513 174.700 0.082 0.000 1.040 1070 T CA 1.451 63.593 62.100 0.069 0.000 1.141 1070 T CB -0.220 68.699 68.868 0.084 0.000 0.868 1070 T HN 0.014 nan 8.240 nan 0.000 0.444 1071 V N 1.438 121.396 119.914 0.073 0.000 2.287 1071 V HA -0.135 3.988 4.120 0.006 0.000 0.248 1071 V C 2.852 178.984 176.094 0.063 0.000 1.053 1071 V CA 2.058 64.406 62.300 0.079 0.000 1.027 1071 V CB -1.339 30.511 31.823 0.044 0.000 0.646 1071 V HN 0.597 nan 8.190 nan 0.000 0.447 1072 G N -0.780 108.040 108.800 0.034 0.000 2.418 1072 G HA2 -0.290 3.674 3.960 0.006 0.000 0.217 1072 G HA3 -0.290 3.674 3.960 0.006 0.000 0.217 1072 G C 1.280 176.208 174.900 0.046 0.000 1.158 1072 G CA 1.149 46.265 45.100 0.026 0.000 0.771 1072 G HN 0.505 nan 8.290 nan 0.000 0.545 1073 D N -0.317 120.123 120.400 0.065 0.000 2.117 1073 D HA -0.046 4.597 4.640 0.006 0.000 0.198 1073 D C 2.773 179.164 176.300 0.152 0.000 0.982 1073 D CA 0.394 54.448 54.000 0.090 0.000 0.828 1073 D CB -0.131 40.732 40.800 0.105 0.000 0.967 1073 D HN 0.147 nan 8.370 nan 0.000 0.464 1074 V N 0.668 120.698 119.914 0.192 0.000 2.255 1074 V HA -0.224 3.899 4.120 0.006 0.000 0.247 1074 V C 2.596 178.801 176.094 0.185 0.000 1.051 1074 V CA 1.190 63.652 62.300 0.270 0.000 1.018 1074 V CB -0.446 31.505 31.823 0.214 0.000 0.641 1074 V HN 0.294 nan 8.190 nan 0.000 0.445 1075 L N 0.190 121.475 121.223 0.103 0.000 2.083 1075 L HA -0.121 4.222 4.340 0.006 0.000 0.209 1075 L C 2.445 179.299 176.870 -0.026 0.000 1.083 1075 L CA 1.833 56.684 54.840 0.019 0.000 0.752 1075 L CB -0.945 41.120 42.059 0.010 0.000 0.899 1075 L HN 0.523 nan 8.230 nan 0.000 0.433 1076 G N -0.893 107.922 108.800 0.025 0.000 2.551 1076 G HA2 -0.103 3.860 3.960 0.006 0.000 0.216 1076 G HA3 -0.103 3.860 3.960 0.006 0.000 0.216 1076 G C 1.635 176.598 174.900 0.105 0.000 1.137 1076 G CA 0.157 45.285 45.100 0.048 0.000 0.798 1076 G HN 0.313 nan 8.290 nan 0.000 0.536 1077 K N -1.801 118.598 120.400 -0.001 0.000 2.474 1077 K HA 0.270 4.593 4.320 0.006 0.000 0.202 1077 K C 1.006 177.438 176.600 -0.280 0.000 1.248 1077 K CA 0.108 56.228 56.287 -0.278 0.000 0.946 1077 K CB 0.588 32.604 32.500 -0.806 0.000 1.102 1077 K HN 0.315 nan 8.250 nan 0.000 0.541 1078 Y N -1.517 118.985 120.300 0.336 0.000 2.723 1078 Y HA 0.231 4.784 4.550 0.005 0.000 0.272 1078 Y C 0.341 176.382 175.900 0.236 0.000 1.142 1078 Y CA -0.140 58.156 58.100 0.326 0.000 1.217 1078 Y CB 0.610 39.237 38.460 0.278 0.000 1.391 1078 Y HN -0.054 nan 8.280 nan 0.000 0.479 1079 H N 1.964 121.113 119.070 0.132 0.000 2.488 1079 H HA 0.352 4.911 4.556 0.005 0.000 0.237 1079 H C -2.791 172.451 175.328 -0.144 0.000 1.395 1079 H CA -2.481 53.612 56.048 0.075 0.000 1.491 1079 H CB 1.080 30.951 29.762 0.180 0.000 1.567 1079 H HN -0.159 nan 8.280 nan 0.000 0.508 1080 P HA 0.113 nan 4.420 nan 0.000 0.226 1080 P C -0.541 176.237 177.300 -0.870 0.000 1.783 1080 P CA 0.096 62.738 63.100 -0.764 0.000 0.980 1080 P CB -0.146 30.882 31.700 -1.120 0.000 1.967 1081 H N 0.608 119.568 119.070 -0.183 0.000 2.790 1081 H HA 0.369 4.928 4.556 0.005 0.000 0.232 1081 H C 0.766 176.101 175.328 0.011 0.000 1.313 1081 H CA -0.142 55.838 56.048 -0.113 0.000 1.011 1081 H CB 0.880 30.527 29.762 -0.191 0.000 2.105 1081 H HN 0.421 nan 8.280 nan 0.000 0.580 1082 G N 2.384 111.229 108.800 0.075 0.000 3.225 1082 G HA2 -0.215 3.749 3.960 0.006 0.000 0.686 1082 G HA3 -0.215 3.749 3.960 0.006 0.000 0.686 1082 G C 0.601 175.570 174.900 0.114 0.000 1.105 1082 G CA -0.171 44.984 45.100 0.091 0.000 0.831 1082 G HN 0.315 nan 8.290 nan 0.000 0.578 1083 D N 1.147 121.600 120.400 0.088 0.000 2.178 1083 D HA -0.099 4.545 4.640 0.006 0.000 0.201 1083 D C 2.083 178.479 176.300 0.160 0.000 0.980 1083 D CA 1.828 55.888 54.000 0.099 0.000 0.842 1083 D CB -0.287 40.544 40.800 0.050 0.000 0.948 1083 D HN 0.374 nan 8.370 nan 0.000 0.472 1084 S N 0.528 116.324 115.700 0.159 0.000 2.355 1084 S HA 0.015 4.488 4.470 0.006 0.000 0.222 1084 S C 2.244 176.966 174.600 0.203 0.000 1.031 1084 S CA 1.145 59.467 58.200 0.204 0.000 0.993 1084 S CB -0.405 62.892 63.200 0.161 0.000 0.859 1084 S HN 0.553 nan 8.310 nan 0.000 0.453 1085 A N 0.220 123.143 122.820 0.171 0.000 1.933 1085 A HA -0.174 4.149 4.320 0.006 0.000 0.218 1085 A C 2.420 180.090 177.584 0.143 0.000 1.175 1085 A CA 1.618 53.748 52.037 0.155 0.000 0.628 1085 A CB -1.318 17.786 19.000 0.172 0.000 0.814 1085 A HN 0.632 nan 8.150 nan 0.000 0.444 1086 C N -2.015 117.391 119.300 0.176 0.000 2.453 1086 C HA -0.102 4.361 4.460 0.006 0.000 0.277 1086 C C 2.439 177.531 174.990 0.170 0.000 1.262 1086 C CA 1.365 60.473 59.018 0.149 0.000 1.718 1086 C CB -1.261 26.582 27.740 0.172 0.000 2.031 1086 C HN 0.696 nan 8.230 nan 0.000 0.480 1087 Y N 1.850 122.195 120.300 0.074 0.000 2.200 1087 Y HA -0.041 4.512 4.550 0.005 0.000 0.290 1087 Y C 2.311 178.235 175.900 0.041 0.000 1.137 1087 Y CA 2.163 60.307 58.100 0.074 0.000 1.163 1087 Y CB -0.767 37.759 38.460 0.111 0.000 0.988 1087 Y HN 0.487 nan 8.280 nan 0.000 0.518 1088 E N -0.165 120.037 120.200 0.003 0.000 2.118 1088 E HA -0.237 4.116 4.350 0.006 0.000 0.195 1088 E C 2.329 178.832 176.600 -0.161 0.000 0.992 1088 E CA 1.131 57.469 56.400 -0.104 0.000 0.804 1088 E CB -0.321 29.430 29.700 0.085 0.000 0.741 1088 E HN 0.542 nan 8.360 nan 0.000 0.458 1089 A N 0.963 123.732 122.820 -0.086 0.000 1.930 1089 A HA -0.161 4.162 4.320 0.006 0.000 0.217 1089 A C 2.145 179.611 177.584 -0.196 0.000 1.175 1089 A CA 1.157 53.125 52.037 -0.116 0.000 0.627 1089 A CB -0.372 18.580 19.000 -0.080 0.000 0.815 1089 A HN 0.126 nan 8.150 nan 0.000 0.443 1090 M N -0.796 118.706 119.600 -0.163 0.000 2.067 1090 M HA -0.156 4.327 4.480 0.006 0.000 0.260 1090 M C 2.164 178.259 176.300 -0.340 0.000 1.069 1090 M CA 1.625 56.815 55.300 -0.183 0.000 1.117 1090 M CB -0.572 32.043 32.600 0.026 0.000 1.334 1090 M HN 0.257 nan 8.290 nan 0.000 0.407 1091 V N 0.762 120.433 119.914 -0.406 0.000 2.250 1091 V HA -0.309 3.814 4.120 0.006 0.000 0.250 1091 V C 2.369 178.179 176.094 -0.474 0.000 1.060 1091 V CA 2.015 64.038 62.300 -0.462 0.000 1.030 1091 V CB -0.799 30.477 31.823 -0.912 0.000 0.643 1091 V HN 0.419 nan 8.190 nan 0.000 0.445 1092 L N 0.382 121.359 121.223 -0.411 0.000 2.013 1092 L HA -0.216 4.128 4.340 0.006 0.000 0.212 1092 L C 2.334 178.825 176.870 -0.631 0.000 1.073 1092 L CA 2.608 57.231 54.840 -0.363 0.000 0.753 1092 L CB -0.535 41.402 42.059 -0.203 0.000 0.890 1092 L HN 0.530 nan 8.230 nan 0.000 0.432 1093 M N -3.226 115.866 119.600 -0.847 0.000 2.595 1093 M HA 0.212 4.696 4.480 0.006 0.000 0.248 1093 M C 1.699 177.535 176.300 -0.773 0.000 1.119 1093 M CA 1.197 55.734 55.300 -1.273 0.000 1.079 1093 M CB -0.546 31.348 32.600 -1.177 0.000 1.472 1093 M HN 0.184 nan 8.290 nan 0.000 0.501 1094 A N 0.505 122.889 122.820 -0.726 0.000 2.095 1094 A HA 0.147 4.471 4.320 0.006 0.000 0.212 1094 A C 0.996 178.169 177.584 -0.686 0.000 1.162 1094 A CA 0.012 51.559 52.037 -0.815 0.000 0.753 1094 A CB -0.095 18.026 19.000 -1.466 0.000 0.840 1094 A HN 0.612 nan 8.150 nan 0.000 0.468 1095 Q N 0.418 119.843 119.800 -0.626 0.000 2.286 1095 Q HA 0.167 4.510 4.340 0.006 0.000 0.267 1095 Q C -1.831 173.798 176.000 -0.617 0.000 1.028 1095 Q CA -1.725 53.631 55.803 -0.745 0.000 0.901 1095 Q CB 0.823 28.872 28.738 -1.148 0.000 1.183 1095 Q HN 0.230 nan 8.270 nan 0.000 0.392 1096 P HA -0.125 nan 4.420 nan 0.000 0.229 1096 P C 0.222 177.472 177.300 -0.082 0.000 1.160 1096 P CA 0.881 63.872 63.100 -0.182 0.000 0.777 1096 P CB 0.100 31.774 31.700 -0.044 0.000 0.814 1097 F N -2.710 117.260 119.950 0.034 0.000 2.789 1097 F HA 0.307 4.837 4.527 0.005 0.000 0.300 1097 F C 1.603 177.497 175.800 0.157 0.000 1.132 1097 F CA 0.194 58.242 58.000 0.080 0.000 1.404 1097 F CB -1.008 38.039 39.000 0.078 0.000 1.114 1097 F HN -0.242 nan 8.300 nan 0.000 0.584 1098 S N -1.708 113.881 115.700 -0.184 0.000 2.620 1098 S HA 0.131 4.605 4.470 0.006 0.000 0.234 1098 S C -0.390 174.323 174.600 0.187 0.000 1.064 1098 S CA -0.029 58.205 58.200 0.058 0.000 0.920 1098 S CB -0.183 62.958 63.200 -0.098 0.000 0.826 1098 S HN 0.179 nan 8.310 nan 0.000 0.557 1099 Y N 2.576 122.772 120.300 -0.174 0.000 2.341 1099 Y HA 0.437 4.990 4.550 0.005 0.000 0.340 1099 Y C 1.087 176.848 175.900 -0.232 0.000 0.997 1099 Y CA -1.374 56.626 58.100 -0.167 0.000 1.149 1099 Y CB 0.893 39.235 38.460 -0.197 0.000 1.171 1099 Y HN -0.018 nan 8.280 nan 0.000 0.494 1100 R N 2.408 122.753 120.500 -0.258 0.000 2.105 1100 R HA -0.117 4.227 4.340 0.006 0.000 0.239 1100 R C -0.853 174.986 176.300 -0.768 0.000 1.135 1100 R CA 1.738 57.563 56.100 -0.457 0.000 0.967 1100 R CB -0.266 29.783 30.300 -0.418 0.000 0.861 1100 R HN 0.634 nan 8.270 nan 0.000 0.442 1101 Y N -0.114 119.979 120.300 -0.344 0.000 2.681 1101 Y HA 0.402 4.955 4.550 0.006 0.000 0.347 1101 Y C -2.219 173.461 175.900 -0.367 0.000 1.029 1101 Y CA -3.238 54.528 58.100 -0.556 0.000 1.279 1101 Y CB 1.408 39.112 38.460 -1.261 0.000 1.096 1101 Y HN -0.007 nan 8.280 nan 0.000 0.580 1102 P HA -0.005 nan 4.420 nan 0.000 0.263 1102 P C 0.692 177.994 177.300 0.003 0.000 1.175 1102 P CA 0.536 63.606 63.100 -0.049 0.000 0.761 1102 P CB 0.931 32.541 31.700 -0.150 0.000 0.794 1103 L N 2.651 123.865 121.223 -0.015 0.000 2.446 1103 L HA 0.176 4.519 4.340 0.006 0.000 0.219 1103 L C 0.965 177.799 176.870 -0.059 0.000 1.116 1103 L CA 0.741 55.606 54.840 0.042 0.000 0.844 1103 L CB -0.163 41.908 42.059 0.019 0.000 0.970 1103 L HN 0.372 nan 8.230 nan 0.000 0.457 1104 I N -0.388 120.073 120.570 -0.181 0.000 2.865 1104 I HA 0.270 4.443 4.170 0.006 0.000 0.302 1104 I C -0.787 175.161 176.117 -0.282 0.000 1.140 1104 I CA -0.575 60.593 61.300 -0.219 0.000 1.021 1104 I CB 2.731 40.545 38.000 -0.310 0.000 1.233 1104 I HN 0.034 nan 8.210 nan 0.000 0.427 1105 E N 3.153 123.226 120.200 -0.211 0.000 2.430 1105 E HA 0.842 5.196 4.350 0.006 0.000 0.279 1105 E C -1.008 175.554 176.600 -0.064 0.000 1.003 1105 E CA -1.015 55.261 56.400 -0.205 0.000 0.801 1105 E CB 2.976 32.620 29.700 -0.093 0.000 1.313 1105 E HN 0.826 nan 8.360 nan 0.000 0.459 1106 G N 0.806 109.629 108.800 0.040 0.000 2.339 1106 G HA2 0.170 4.133 3.960 0.006 0.000 0.302 1106 G HA3 0.170 4.133 3.960 0.006 0.000 0.302 1106 G C -1.543 173.601 174.900 0.406 0.000 1.425 1106 G CA -0.489 44.744 45.100 0.223 0.000 0.899 1106 G HN 0.795 nan 8.290 nan 0.000 0.619 1107 Q N -0.173 119.804 119.800 0.295 0.000 2.373 1107 Q HA 0.604 4.948 4.340 0.006 0.000 0.255 1107 Q C 0.434 176.580 176.000 0.244 0.000 0.980 1107 Q CA 0.252 56.207 55.803 0.253 0.000 0.882 1107 Q CB 1.532 30.355 28.738 0.142 0.000 1.249 1107 Q HN 2.416 nan 8.270 nan 0.000 0.438 1108 G N 1.428 110.311 108.800 0.137 0.000 2.359 1108 G HA2 -0.067 3.897 3.960 0.006 0.000 0.314 1108 G HA3 -0.067 3.897 3.960 0.006 0.000 0.314 1108 G C -1.663 173.162 174.900 -0.125 0.000 1.364 1108 G CA -0.741 44.302 45.100 -0.096 0.000 0.978 1108 G HN 0.761 nan 8.290 nan 0.000 0.615 1109 N N 0.037 118.637 118.700 -0.167 0.000 2.508 1109 N HA 0.295 5.039 4.740 0.006 0.000 0.253 1109 N C 0.414 175.886 175.510 -0.064 0.000 1.145 1109 N CA -0.672 52.357 53.050 -0.034 0.000 0.973 1109 N CB -0.005 38.483 38.487 0.002 0.000 1.305 1109 N HN 0.506 nan 8.380 nan 0.000 0.506 1110 W N 3.327 124.728 121.300 0.168 0.000 3.345 1110 W HA 0.354 5.018 4.660 0.005 0.000 0.282 1110 W C 1.429 178.097 176.519 0.249 0.000 1.302 1110 W CA 0.423 57.846 57.345 0.130 0.000 1.724 1110 W CB -0.132 29.340 29.460 0.020 0.000 1.104 1110 W HN 0.721 nan 8.180 nan 0.000 0.694 1111 G N 0.757 109.824 108.800 0.445 0.000 2.660 1111 G HA2 0.070 4.034 3.960 0.006 0.000 0.247 1111 G HA3 0.070 4.034 3.960 0.006 0.000 0.247 1111 G C -0.291 174.831 174.900 0.372 0.000 1.328 1111 G CA -0.477 44.877 45.100 0.424 0.000 0.884 1111 G HN 0.576 nan 8.290 nan 0.000 0.531 1112 S N -1.472 114.287 115.700 0.100 0.000 2.625 1112 S HA 0.810 5.284 4.470 0.006 0.000 0.271 1112 S C -2.279 171.839 174.600 -0.803 0.000 1.161 1112 S CA -0.231 57.678 58.200 -0.485 0.000 0.820 1112 S CB 2.169 65.241 63.200 -0.213 0.000 1.137 1112 S HN 0.519 nan 8.310 nan 0.000 0.470 1113 P HA -0.035 nan 4.420 nan 0.000 0.219 1113 P C 0.650 177.812 177.300 -0.229 0.000 1.146 1113 P CA 1.165 63.921 63.100 -0.574 0.000 0.808 1113 P CB -0.101 31.365 31.700 -0.390 0.000 0.779 1114 D N -0.893 119.393 120.400 -0.191 0.000 2.182 1114 D HA -0.122 4.521 4.640 0.006 0.000 0.201 1114 D C 0.396 176.666 176.300 -0.050 0.000 0.986 1114 D CA 1.556 55.503 54.000 -0.089 0.000 0.847 1114 D CB -0.167 40.593 40.800 -0.067 0.000 0.942 1114 D HN 0.182 nan 8.370 nan 0.000 0.467 1115 D N -2.269 118.107 120.400 -0.039 0.000 2.362 1115 D HA 0.099 4.742 4.640 0.006 0.000 0.228 1115 D C -2.417 173.950 176.300 0.111 0.000 1.326 1115 D CA -1.218 52.798 54.000 0.026 0.000 0.927 1115 D CB 1.307 42.117 40.800 0.017 0.000 1.501 1115 D HN -0.188 nan 8.370 nan 0.000 0.519 1116 P HA 0.026 nan 4.420 nan 0.000 0.234 1116 P C 0.829 178.382 177.300 0.423 0.000 1.167 1116 P CA 0.571 63.897 63.100 0.377 0.000 0.763 1116 P CB 0.479 32.412 31.700 0.388 0.000 0.835 1117 K N -1.308 119.268 120.400 0.293 0.000 2.374 1117 K HA 0.156 4.479 4.320 0.006 0.000 0.196 1117 K C 0.510 177.056 176.600 -0.090 0.000 1.023 1117 K CA 0.185 56.636 56.287 0.272 0.000 1.103 1117 K CB -0.077 32.497 32.500 0.123 0.000 0.848 1117 K HN -0.111 nan 8.250 nan 0.000 0.528 1118 S N 1.117 116.827 115.700 0.017 0.000 2.423 1118 S HA 0.564 5.038 4.470 0.006 0.000 0.317 1118 S C -0.867 173.750 174.600 0.028 0.000 1.065 1118 S CA -0.817 57.301 58.200 -0.137 0.000 1.111 1118 S CB -0.312 62.864 63.200 -0.040 0.000 0.968 1118 S HN 0.176 nan 8.310 nan 0.000 0.474 1119 F N 1.720 121.713 119.950 0.073 0.000 2.686 1119 F HA 0.837 5.369 4.527 0.007 0.000 0.311 1119 F C -0.258 175.579 175.800 0.062 0.000 1.128 1119 F CA -1.567 56.473 58.000 0.066 0.000 0.946 1119 F CB 0.618 39.666 39.000 0.081 0.000 1.336 1119 F HN 0.485 nan 8.300 nan 0.000 0.457 1120 A N 1.230 124.210 122.820 0.267 0.000 2.386 1120 A HA 0.710 5.034 4.320 0.006 0.000 0.248 1120 A C 0.369 178.177 177.584 0.373 0.000 1.082 1120 A CA -0.073 52.094 52.037 0.217 0.000 0.789 1120 A CB -0.103 18.957 19.000 0.100 0.000 1.025 1120 A HN 1.549 nan 8.150 nan 0.000 0.490 1121 A N 1.664 124.692 122.820 0.347 0.000 2.448 1121 A HA 0.369 4.692 4.320 0.006 0.000 0.239 1121 A C 1.374 178.904 177.584 -0.090 0.000 1.080 1121 A CA 0.423 52.564 52.037 0.174 0.000 0.779 1121 A CB -0.260 18.762 19.000 0.038 0.000 1.026 1121 A HN 1.420 nan 8.150 nan 0.000 0.499 1122 M N 1.071 120.356 119.600 -0.525 0.000 2.374 1122 M HA -0.103 4.380 4.480 0.006 0.000 0.264 1122 M C 1.660 177.714 176.300 -0.409 0.000 1.067 1122 M CA 1.935 56.766 55.300 -0.782 0.000 1.103 1122 M CB -0.460 31.429 32.600 -1.185 0.000 1.402 1122 M HN 0.797 nan 8.290 nan 0.000 0.444 1123 R N -0.069 120.165 120.500 -0.442 0.000 2.235 1123 R HA -0.068 4.275 4.340 0.006 0.000 0.213 1123 R C 0.699 176.752 176.300 -0.411 0.000 1.059 1123 R CA 1.268 57.101 56.100 -0.445 0.000 0.997 1123 R CB -0.724 29.243 30.300 -0.555 0.000 0.884 1123 R HN 0.528 nan 8.270 nan 0.000 0.462 1124 Y N 1.807 122.047 120.300 -0.100 0.000 2.422 1124 Y HA 0.084 4.636 4.550 0.005 0.000 0.291 1124 Y C 1.487 177.324 175.900 -0.106 0.000 1.144 1124 Y CA 0.248 58.297 58.100 -0.084 0.000 1.208 1124 Y CB -0.115 38.300 38.460 -0.076 0.000 1.195 1124 Y HN 0.024 nan 8.280 nan 0.000 0.535 1125 T N 0.579 115.116 114.554 -0.028 0.000 2.856 1125 T HA 0.182 4.535 4.350 0.006 0.000 0.306 1125 T C -0.369 174.329 174.700 -0.004 0.000 1.062 1125 T CA -0.547 61.429 62.100 -0.207 0.000 1.083 1125 T CB 1.034 69.415 68.868 -0.811 0.000 0.984 1125 T HN 0.171 nan 8.240 nan 0.000 0.542 1126 E N 0.219 120.509 120.200 0.151 0.000 2.238 1126 E HA 0.606 4.959 4.350 0.006 0.000 0.267 1126 E C -1.041 175.816 176.600 0.428 0.000 0.887 1126 E CA -1.358 55.185 56.400 0.239 0.000 0.769 1126 E CB 2.267 32.068 29.700 0.169 0.000 1.187 1126 E HN 0.888 nan 8.360 nan 0.000 0.416 1127 A N 2.764 125.767 122.820 0.304 0.000 2.427 1127 A HA 0.600 4.923 4.320 0.006 0.000 0.298 1127 A C -0.881 176.772 177.584 0.115 0.000 1.036 1127 A CA -0.841 51.340 52.037 0.240 0.000 0.701 1127 A CB 1.227 20.392 19.000 0.276 0.000 1.250 1127 A HN 0.667 nan 8.150 nan 0.000 0.412 1128 K N 1.655 122.092 120.400 0.061 0.000 2.439 1128 K HA 0.818 5.141 4.320 0.006 0.000 0.260 1128 K C -1.187 175.415 176.600 0.003 0.000 1.032 1128 K CA -0.929 55.380 56.287 0.035 0.000 0.882 1128 K CB 1.060 33.586 32.500 0.043 0.000 1.420 1128 K HN 0.447 nan 8.250 nan 0.000 0.455 1129 L N 2.152 123.379 121.223 0.006 0.000 2.426 1129 L HA 0.129 4.472 4.340 0.006 0.000 0.271 1129 L C 0.603 177.485 176.870 0.020 0.000 1.169 1129 L CA -0.311 54.530 54.840 0.001 0.000 0.836 1129 L CB 1.145 43.208 42.059 0.006 0.000 1.112 1129 L HN 0.870 nan 8.230 nan 0.000 0.465 1130 S N 1.763 117.480 115.700 0.029 0.000 2.614 1130 S HA 0.341 4.815 4.470 0.006 0.000 0.265 1130 S C 1.069 175.740 174.600 0.119 0.000 1.303 1130 S CA -0.227 58.017 58.200 0.074 0.000 1.000 1130 S CB 1.537 64.794 63.200 0.095 0.000 0.935 1130 S HN 0.693 nan 8.310 nan 0.000 0.551 1131 A N 0.961 123.885 122.820 0.175 0.000 1.902 1131 A HA -0.061 4.263 4.320 0.006 0.000 0.217 1131 A C 1.913 179.658 177.584 0.268 0.000 1.181 1131 A CA 1.720 53.911 52.037 0.255 0.000 0.623 1131 A CB -1.556 17.631 19.000 0.311 0.000 0.818 1131 A HN 1.089 nan 8.150 nan 0.000 0.443 1132 Y N 2.023 122.397 120.300 0.124 0.000 2.193 1132 Y HA -0.302 4.252 4.550 0.006 0.000 0.285 1132 Y C 2.748 178.498 175.900 -0.249 0.000 1.166 1132 Y CA 2.144 60.167 58.100 -0.128 0.000 1.181 1132 Y CB -0.387 38.088 38.460 0.024 0.000 0.976 1132 Y HN 0.437 nan 8.280 nan 0.000 0.520 1133 S N -0.477 115.196 115.700 -0.045 0.000 2.469 1133 S HA -0.218 4.255 4.470 0.006 0.000 0.238 1133 S C 1.589 176.060 174.600 -0.215 0.000 0.998 1133 S CA 1.262 59.387 58.200 -0.124 0.000 0.957 1133 S CB -0.610 62.591 63.200 0.000 0.000 0.764 1133 S HN 0.712 nan 8.310 nan 0.000 0.514 1134 E N 1.245 121.314 120.200 -0.217 0.000 2.171 1134 E HA -0.090 4.264 4.350 0.006 0.000 0.197 1134 E C 1.820 178.240 176.600 -0.301 0.000 0.997 1134 E CA 1.446 57.734 56.400 -0.187 0.000 0.810 1134 E CB -0.468 29.190 29.700 -0.070 0.000 0.738 1134 E HN 0.582 nan 8.360 nan 0.000 0.467 1135 L N 0.286 121.166 121.223 -0.571 0.000 2.265 1135 L HA -0.165 4.178 4.340 0.006 0.000 0.215 1135 L C 2.039 178.709 176.870 -0.333 0.000 1.117 1135 L CA 0.738 55.251 54.840 -0.545 0.000 0.782 1135 L CB -0.215 41.318 42.059 -0.877 0.000 0.914 1135 L HN 0.205 nan 8.230 nan 0.000 0.441 1136 L N -1.571 119.475 121.223 -0.294 0.000 2.408 1136 L HA 0.004 4.348 4.340 0.006 0.000 0.215 1136 L C 1.996 178.795 176.870 -0.117 0.000 1.081 1136 L CA 0.366 55.104 54.840 -0.170 0.000 0.840 1136 L CB 0.039 42.016 42.059 -0.137 0.000 1.002 1136 L HN 0.197 nan 8.230 nan 0.000 0.468 1137 L N -1.018 120.141 121.223 -0.106 0.000 2.537 1137 L HA 0.053 4.397 4.340 0.006 0.000 0.224 1137 L C 2.682 179.534 176.870 -0.029 0.000 1.065 1137 L CA 0.557 55.367 54.840 -0.050 0.000 0.860 1137 L CB 0.011 42.055 42.059 -0.026 0.000 1.086 1137 L HN 0.223 nan 8.230 nan 0.000 0.482 1138 S N 0.088 115.762 115.700 -0.043 0.000 2.400 1138 S HA -0.222 4.251 4.470 0.006 0.000 0.232 1138 S C 1.426 176.024 174.600 -0.003 0.000 1.025 1138 S CA 1.384 59.578 58.200 -0.011 0.000 0.993 1138 S CB -0.293 62.903 63.200 -0.007 0.000 0.808 1138 S HN 0.508 nan 8.310 nan 0.000 0.478 1139 E N 0.252 120.437 120.200 -0.025 0.000 2.463 1139 E HA 0.251 4.605 4.350 0.006 0.000 0.193 1139 E C 1.382 177.945 176.600 -0.062 0.000 1.041 1139 E CA -0.202 56.175 56.400 -0.039 0.000 0.879 1139 E CB 0.024 29.699 29.700 -0.041 0.000 0.997 1139 E HN 0.316 nan 8.360 nan 0.000 0.478 1140 L N 0.696 121.906 121.223 -0.022 0.000 2.042 1140 L HA -0.073 4.271 4.340 0.006 0.000 0.210 1140 L C 1.955 178.870 176.870 0.076 0.000 1.076 1140 L CA 1.945 56.804 54.840 0.032 0.000 0.749 1140 L CB -0.628 41.482 42.059 0.085 0.000 0.893 1140 L HN 0.156 nan 8.230 nan 0.000 0.432 1141 G N -1.642 107.162 108.800 0.007 0.000 3.210 1141 G HA2 -0.009 3.955 3.960 0.006 0.000 0.220 1141 G HA3 -0.009 3.955 3.960 0.006 0.000 0.220 1141 G C 0.739 175.404 174.900 -0.393 0.000 1.200 1141 G CA -0.088 44.968 45.100 -0.073 0.000 0.834 1141 G HN 0.543 nan 8.290 nan 0.000 0.524 1142 Q N -0.223 119.258 119.800 -0.533 0.000 2.211 1142 Q HA 0.354 4.698 4.340 0.006 0.000 0.301 1142 Q C 1.142 176.606 176.000 -0.894 0.000 0.884 1142 Q CA -0.054 55.009 55.803 -1.233 0.000 1.115 1142 Q CB 0.982 29.283 28.738 -0.728 0.000 1.217 1142 Q HN 0.314 nan 8.270 nan 0.000 0.451 1143 G N 1.226 109.732 108.800 -0.490 0.000 2.198 1143 G HA2 -0.344 3.619 3.960 0.006 0.000 0.260 1143 G HA3 -0.344 3.619 3.960 0.006 0.000 0.260 1143 G C 0.759 175.619 174.900 -0.066 0.000 1.025 1143 G CA 0.973 45.983 45.100 -0.150 0.000 0.769 1143 G HN 0.511 nan 8.290 nan 0.000 0.507 1144 T N -3.587 110.924 114.554 -0.072 0.000 3.040 1144 T HA 0.494 4.847 4.350 0.006 0.000 0.252 1144 T C 1.207 175.876 174.700 -0.052 0.000 1.064 1144 T CA 1.127 63.188 62.100 -0.065 0.000 1.110 1144 T CB 0.491 69.303 68.868 -0.093 0.000 0.921 1144 T HN 0.469 nan 8.240 nan 0.000 0.480 1145 S N 1.359 117.053 115.700 -0.011 0.000 2.638 1145 S HA 0.521 4.994 4.470 0.006 0.000 0.298 1145 S C -0.484 174.104 174.600 -0.021 0.000 1.111 1145 S CA -0.889 57.241 58.200 -0.118 0.000 1.027 1145 S CB 1.548 64.537 63.200 -0.351 0.000 1.064 1145 S HN 0.280 nan 8.310 nan 0.000 0.525 1146 E N 0.587 120.711 120.200 -0.127 0.000 2.301 1146 E HA 0.280 4.634 4.350 0.006 0.000 0.275 1146 E C -1.227 175.279 176.600 -0.156 0.000 1.030 1146 E CA -0.082 56.304 56.400 -0.022 0.000 0.852 1146 E CB 0.851 30.519 29.700 -0.053 0.000 1.060 1146 E HN 0.511 nan 8.360 nan 0.000 0.401 1147 W N 0.997 122.245 121.300 -0.086 0.000 2.799 1147 W HA 0.334 4.998 4.660 0.006 0.000 0.349 1147 W C 0.181 176.670 176.519 -0.049 0.000 1.100 1147 W CA -0.534 56.759 57.345 -0.087 0.000 1.174 1147 W CB 1.119 30.532 29.460 -0.079 0.000 1.427 1147 W HN 0.355 nan 8.180 nan 0.000 0.547 1148 Q N 0.069 119.984 119.800 0.192 0.000 2.511 1148 Q HA 0.427 4.771 4.340 0.006 0.000 0.289 1148 Q C -1.241 174.854 176.000 0.159 0.000 1.021 1148 Q CA -1.032 54.851 55.803 0.133 0.000 0.785 1148 Q CB 1.982 30.762 28.738 0.071 0.000 1.472 1148 Q HN 0.217 nan 8.270 nan 0.000 0.411 1149 D N 2.420 122.899 120.400 0.131 0.000 2.472 1149 D HA 0.013 4.656 4.640 0.006 0.000 0.237 1149 D C 0.066 176.457 176.300 0.151 0.000 1.141 1149 D CA 0.388 54.462 54.000 0.123 0.000 0.875 1149 D CB 0.568 41.422 40.800 0.091 0.000 1.192 1149 D HN 0.604 nan 8.370 nan 0.000 0.450 1150 N N 1.158 119.956 118.700 0.164 0.000 2.290 1150 N HA -0.057 4.686 4.740 0.006 0.000 0.269 1150 N C 1.164 176.757 175.510 0.137 0.000 1.295 1150 N CA -0.378 52.806 53.050 0.223 0.000 0.932 1150 N CB -0.159 38.468 38.487 0.234 0.000 1.128 1150 N HN 0.414 nan 8.380 nan 0.000 0.532 1151 F N -1.369 118.636 119.950 0.092 0.000 2.250 1151 F HA 0.011 4.542 4.527 0.007 0.000 0.301 1151 F C 0.777 176.590 175.800 0.023 0.000 1.077 1151 F CA 1.236 59.270 58.000 0.057 0.000 1.348 1151 F CB -0.672 38.348 39.000 0.034 0.000 1.040 1151 F HN 0.503 nan 8.300 nan 0.000 0.509 1152 D N -1.707 118.237 120.400 -0.761 0.000 2.469 1152 D HA 0.259 4.902 4.640 0.006 0.000 0.215 1152 D C 1.700 177.838 176.300 -0.269 0.000 1.154 1152 D CA 0.213 53.890 54.000 -0.537 0.000 0.832 1152 D CB 0.075 40.398 40.800 -0.796 0.000 1.008 1152 D HN 0.431 nan 8.370 nan 0.000 0.506 1153 G N 0.542 109.236 108.800 -0.178 0.000 2.179 1153 G HA2 -0.354 3.610 3.960 0.006 0.000 0.260 1153 G HA3 -0.354 3.610 3.960 0.006 0.000 0.260 1153 G C 1.144 176.003 174.900 -0.068 0.000 0.977 1153 G CA 0.747 45.806 45.100 -0.068 0.000 0.641 1153 G HN 0.732 nan 8.290 nan 0.000 0.533 1154 S N -0.992 114.634 115.700 -0.122 0.000 2.528 1154 S HA 0.649 5.122 4.470 0.006 0.000 0.219 1154 S C 0.791 175.370 174.600 -0.034 0.000 0.985 1154 S CA 0.668 58.816 58.200 -0.087 0.000 0.914 1154 S CB 0.419 63.542 63.200 -0.127 0.000 0.776 1154 S HN 0.670 nan 8.310 nan 0.000 0.526 1155 L N 0.088 121.311 121.223 0.001 0.000 2.491 1155 L HA 0.586 4.930 4.340 0.006 0.000 0.254 1155 L C -0.875 176.098 176.870 0.171 0.000 1.048 1155 L CA -1.097 53.801 54.840 0.096 0.000 0.855 1155 L CB 1.767 43.904 42.059 0.129 0.000 1.466 1155 L HN -0.140 nan 8.230 nan 0.000 0.409 1156 K N 1.395 121.946 120.400 0.253 0.000 2.166 1156 K HA 0.581 4.904 4.320 0.006 0.000 0.245 1156 K C -1.036 175.866 176.600 0.503 0.000 0.967 1156 K CA -0.553 55.932 56.287 0.329 0.000 0.863 1156 K CB 2.187 34.841 32.500 0.257 0.000 1.107 1156 K HN 0.678 nan 8.250 nan 0.000 0.436 1157 E N 0.535 120.961 120.200 0.377 0.000 2.383 1157 E HA 0.457 4.811 4.350 0.006 0.000 0.275 1157 E C -2.851 173.483 176.600 -0.444 0.000 0.918 1157 E CA -2.287 54.096 56.400 -0.029 0.000 0.764 1157 E CB 2.091 31.812 29.700 0.035 0.000 1.252 1157 E HN 0.093 nan 8.360 nan 0.000 0.449 1158 P HA 0.142 nan 4.420 nan 0.000 0.275 1158 P C 0.278 177.167 177.300 -0.685 0.000 1.227 1158 P CA -0.215 62.072 63.100 -1.356 0.000 0.781 1158 P CB 1.203 32.003 31.700 -1.501 0.000 0.906 1159 I N 0.847 121.098 120.570 -0.532 0.000 2.333 1159 I HA -0.043 4.131 4.170 0.006 0.000 0.246 1159 I C 1.360 177.248 176.117 -0.381 0.000 1.106 1159 I CA 1.406 62.497 61.300 -0.348 0.000 1.411 1159 I CB -0.247 37.599 38.000 -0.257 0.000 1.082 1159 I HN 0.458 nan 8.210 nan 0.000 0.420 1160 T N -1.227 113.075 114.554 -0.421 0.000 2.906 1160 T HA 0.598 4.951 4.350 0.006 0.000 0.295 1160 T C -0.663 173.825 174.700 -0.354 0.000 1.075 1160 T CA -0.770 61.105 62.100 -0.375 0.000 1.005 1160 T CB 2.053 70.695 68.868 -0.377 0.000 1.136 1160 T HN -0.093 nan 8.240 nan 0.000 0.498 1161 L N 2.208 123.278 121.223 -0.256 0.000 2.325 1161 L HA 0.475 4.819 4.340 0.006 0.000 0.279 1161 L C -1.894 174.885 176.870 -0.151 0.000 1.054 1161 L CA -2.545 52.166 54.840 -0.215 0.000 0.804 1161 L CB 1.786 43.752 42.059 -0.156 0.000 1.200 1161 L HN 0.560 nan 8.230 nan 0.000 0.436 1162 P HA 0.114 nan 4.420 nan 0.000 0.225 1162 P C -0.308 176.952 177.300 -0.067 0.000 1.813 1162 P CA -0.233 62.800 63.100 -0.111 0.000 1.013 1162 P CB 0.290 31.925 31.700 -0.108 0.000 1.961 1163 A N 3.425 126.237 122.820 -0.014 0.000 2.567 1163 A HA -0.007 4.316 4.320 0.006 0.000 0.240 1163 A C 1.394 179.069 177.584 0.151 0.000 1.053 1163 A CA 0.059 52.135 52.037 0.065 0.000 0.755 1163 A CB 0.072 19.194 19.000 0.204 0.000 0.978 1163 A HN 0.373 nan 8.150 nan 0.000 0.507 1164 R N 1.242 121.781 120.500 0.065 0.000 2.280 1164 R HA 0.157 4.500 4.340 0.006 0.000 0.195 1164 R C 0.147 176.579 176.300 0.221 0.000 0.935 1164 R CA 0.972 57.139 56.100 0.113 0.000 1.033 1164 R CB -0.394 29.893 30.300 -0.022 0.000 0.964 1164 R HN 0.732 nan 8.270 nan 0.000 0.489 1165 V N -2.833 117.125 119.914 0.075 0.000 3.114 1165 V HA 0.455 4.579 4.120 0.006 0.000 0.308 1165 V C -2.903 172.801 176.094 -0.650 0.000 1.168 1165 V CA -2.979 59.136 62.300 -0.308 0.000 1.015 1165 V CB 2.497 34.133 31.823 -0.311 0.000 1.050 1165 V HN -0.216 nan 8.190 nan 0.000 0.433 1166 P HA 0.196 nan 4.420 nan 0.000 0.237 1166 P C 0.715 177.683 177.300 -0.554 0.000 1.788 1166 P CA 0.141 62.465 63.100 -1.292 0.000 1.061 1166 P CB -0.445 30.473 31.700 -1.303 0.000 1.967 1167 N N 1.821 120.333 118.700 -0.313 0.000 2.258 1167 N HA -0.208 4.535 4.740 0.006 0.000 0.187 1167 N C 1.491 176.925 175.510 -0.127 0.000 1.012 1167 N CA 0.801 53.771 53.050 -0.134 0.000 0.870 1167 N CB -0.125 38.346 38.487 -0.025 0.000 0.977 1167 N HN 0.155 nan 8.380 nan 0.000 0.434 1168 I N 1.315 121.798 120.570 -0.145 0.000 2.185 1168 I HA -0.269 3.905 4.170 0.006 0.000 0.246 1168 I C 1.983 178.011 176.117 -0.148 0.000 1.088 1168 I CA 1.414 62.642 61.300 -0.120 0.000 1.347 1168 I CB -0.096 37.845 38.000 -0.098 0.000 1.041 1168 I HN 0.226 nan 8.210 nan 0.000 0.415 1169 L N -1.032 120.060 121.223 -0.218 0.000 2.416 1169 L HA 0.011 4.355 4.340 0.006 0.000 0.216 1169 L C 2.212 179.027 176.870 -0.092 0.000 1.098 1169 L CA 0.296 54.994 54.840 -0.237 0.000 0.840 1169 L CB -0.261 41.535 42.059 -0.438 0.000 0.981 1169 L HN 0.256 nan 8.230 nan 0.000 0.462 1170 L N -0.566 120.591 121.223 -0.110 0.000 2.131 1170 L HA -0.054 4.290 4.340 0.006 0.000 0.206 1170 L C 1.807 178.666 176.870 -0.019 0.000 1.087 1170 L CA 0.865 55.689 54.840 -0.026 0.000 0.767 1170 L CB -0.257 41.733 42.059 -0.116 0.000 0.917 1170 L HN 0.322 nan 8.230 nan 0.000 0.441 1171 N N -0.888 117.724 118.700 -0.146 0.000 2.273 1171 N HA 0.132 4.875 4.740 0.006 0.000 0.192 1171 N C 0.929 176.229 175.510 -0.349 0.000 1.132 1171 N CA 0.930 53.750 53.050 -0.383 0.000 0.887 1171 N CB 1.209 39.304 38.487 -0.653 0.000 1.048 1171 N HN 0.297 nan 8.380 nan 0.000 0.490 1172 G N 0.378 109.072 108.800 -0.178 0.000 2.645 1172 G HA2 -0.226 3.737 3.960 0.006 0.000 0.239 1172 G HA3 -0.226 3.737 3.960 0.006 0.000 0.239 1172 G C -0.362 174.487 174.900 -0.085 0.000 1.331 1172 G CA 0.240 45.286 45.100 -0.091 0.000 0.890 1172 G HN 0.428 nan 8.290 nan 0.000 0.572 1173 T N -2.171 112.373 114.554 -0.017 0.000 2.770 1173 T HA 0.646 4.999 4.350 0.006 0.000 0.323 1173 T C -1.097 173.627 174.700 0.040 0.000 1.683 1173 T CA 1.256 63.362 62.100 0.010 0.000 1.024 1173 T CB 1.482 70.349 68.868 -0.001 0.000 1.557 1173 T HN 2.149 nan 8.240 nan 0.000 0.494 1174 T N 0.294 114.874 114.554 0.043 0.000 3.012 1174 T HA 0.750 5.103 4.350 0.006 0.000 0.330 1174 T C -0.733 173.986 174.700 0.032 0.000 1.321 1174 T CA 0.662 62.790 62.100 0.046 0.000 1.067 1174 T CB 0.989 69.895 68.868 0.064 0.000 1.235 1174 T HN 1.621 nan 8.240 nan 0.000 0.479 1175 G N 2.166 110.981 108.800 0.025 0.000 2.328 1175 G HA2 0.493 4.456 3.960 0.006 0.000 0.299 1175 G HA3 0.493 4.456 3.960 0.006 0.000 0.299 1175 G C -2.208 172.698 174.900 0.010 0.000 1.435 1175 G CA -0.318 44.791 45.100 0.015 0.000 0.865 1175 G HN 1.002 nan 8.290 nan 0.000 0.601 1176 I N -0.209 120.365 120.570 0.007 0.000 2.752 1176 I HA 0.786 4.959 4.170 0.006 0.000 0.295 1176 I C -0.871 175.245 176.117 -0.002 0.000 1.219 1176 I CA -0.907 60.397 61.300 0.006 0.000 1.030 1176 I CB 2.036 40.049 38.000 0.021 0.000 1.259 1176 I HN 1.581 nan 8.210 nan 0.000 0.423 1177 A N 5.089 127.901 122.820 -0.013 0.000 2.566 1177 A HA 0.569 4.893 4.320 0.006 0.000 0.297 1177 A C 0.009 177.585 177.584 -0.013 0.000 1.059 1177 A CA 0.035 52.058 52.037 -0.024 0.000 0.691 1177 A CB 1.305 20.256 19.000 -0.082 0.000 1.282 1177 A HN 2.009 nan 8.150 nan 0.000 0.401 1178 V N 0.003 119.931 119.914 0.024 0.000 5.578 1178 V HA -0.024 4.100 4.120 0.006 0.000 0.275 1178 V C 1.370 177.515 176.094 0.084 0.000 0.642 1178 V CA 1.904 64.252 62.300 0.081 0.000 0.613 1178 V CB -2.289 29.572 31.823 0.063 0.000 0.301 1178 V HN 3.095 nan 8.190 nan 0.000 0.782 1179 G N 0.756 109.599 108.800 0.071 0.000 2.212 1179 G HA2 -0.355 3.608 3.960 0.006 0.000 0.266 1179 G HA3 -0.355 3.608 3.960 0.006 0.000 0.266 1179 G C 0.155 175.084 174.900 0.048 0.000 0.978 1179 G CA 0.821 45.962 45.100 0.067 0.000 0.632 1179 G HN 2.136 nan 8.290 nan 0.000 0.537 1180 M N 1.192 120.810 119.600 0.030 0.000 2.061 1180 M HA 0.719 5.203 4.480 0.006 0.000 0.346 1180 M C 0.146 176.448 176.300 0.003 0.000 1.112 1180 M CA 0.087 55.395 55.300 0.014 0.000 1.021 1180 M CB 1.016 33.613 32.600 -0.004 0.000 1.530 1180 M HN 0.668 nan 8.290 nan 0.000 0.437 1181 A N 3.415 126.241 122.820 0.010 0.000 2.330 1181 A HA 0.894 5.217 4.320 0.006 0.000 0.329 1181 A C -0.631 176.959 177.584 0.009 0.000 1.135 1181 A CA -0.614 51.430 52.037 0.012 0.000 0.817 1181 A CB 1.926 20.940 19.000 0.022 0.000 1.269 1181 A HN 0.719 nan 8.150 nan 0.000 0.469 1182 T N -0.243 114.319 114.554 0.013 0.000 2.903 1182 T HA 0.593 4.946 4.350 0.006 0.000 0.299 1182 T C -2.152 172.568 174.700 0.034 0.000 1.093 1182 T CA -0.397 61.712 62.100 0.016 0.000 1.002 1182 T CB 1.441 70.310 68.868 0.001 0.000 1.127 1182 T HN 0.555 nan 8.240 nan 0.000 0.488 1183 D N 3.190 123.618 120.400 0.047 0.000 2.445 1183 D HA 0.306 4.950 4.640 0.006 0.000 0.236 1183 D C -0.844 175.509 176.300 0.089 0.000 1.315 1183 D CA -0.163 53.883 54.000 0.077 0.000 0.924 1183 D CB 0.559 41.414 40.800 0.093 0.000 1.447 1183 D HN 0.512 nan 8.370 nan 0.000 0.532 1184 I N 3.439 124.053 120.570 0.072 0.000 2.330 1184 I HA 0.319 4.492 4.170 0.006 0.000 0.289 1184 I C -2.157 174.010 176.117 0.083 0.000 1.001 1184 I CA -1.867 59.474 61.300 0.069 0.000 1.193 1184 I CB 1.694 39.706 38.000 0.020 0.000 1.345 1184 I HN -0.045 nan 8.210 nan 0.000 0.461 1185 P HA 0.326 nan 4.420 nan 0.000 0.276 1185 P C -2.625 174.648 177.300 -0.045 0.000 1.244 1185 P CA -1.938 61.161 63.100 -0.000 0.000 0.801 1185 P CB -0.063 31.558 31.700 -0.131 0.000 1.006 1186 P HA 0.246 nan 4.420 nan 0.000 0.272 1186 P C -0.738 176.416 177.300 -0.243 0.000 1.223 1186 P CA 0.374 63.377 63.100 -0.161 0.000 0.784 1186 P CB 0.319 31.831 31.700 -0.314 0.000 0.923 1187 H N -1.109 117.874 119.070 -0.145 0.000 2.907 1187 H HA 0.347 4.906 4.556 0.006 0.000 0.361 1187 H C 0.039 175.354 175.328 -0.022 0.000 1.194 1187 H CA -0.764 55.212 56.048 -0.120 0.000 1.152 1187 H CB 1.010 30.697 29.762 -0.126 0.000 1.867 1187 H HN 0.315 nan 8.280 nan 0.000 0.561 1188 N N 1.835 120.593 118.700 0.096 0.000 2.488 1188 N HA -0.048 4.696 4.740 0.006 0.000 0.274 1188 N C 0.905 176.469 175.510 0.090 0.000 1.111 1188 N CA -0.226 52.895 53.050 0.118 0.000 0.974 1188 N CB 0.932 39.447 38.487 0.046 0.000 1.089 1188 N HN 0.484 nan 8.380 nan 0.000 0.465 1189 L N 5.945 127.226 121.223 0.097 0.000 2.046 1189 L HA -0.085 4.258 4.340 0.006 0.000 0.208 1189 L C 1.985 178.826 176.870 -0.050 0.000 1.077 1189 L CA 1.755 56.531 54.840 -0.106 0.000 0.747 1189 L CB -0.840 41.024 42.059 -0.325 0.000 0.896 1189 L HN 0.618 nan 8.230 nan 0.000 0.432 1190 R N -0.372 120.136 120.500 0.012 0.000 2.092 1190 R HA -0.096 4.247 4.340 0.006 0.000 0.231 1190 R C 2.126 178.428 176.300 0.003 0.000 1.119 1190 R CA 1.478 57.583 56.100 0.008 0.000 0.970 1190 R CB -0.174 30.144 30.300 0.031 0.000 0.864 1190 R HN 0.562 nan 8.270 nan 0.000 0.440 1191 E N 0.078 120.289 120.200 0.018 0.000 2.072 1191 E HA -0.140 4.214 4.350 0.006 0.000 0.191 1191 E C 2.010 178.610 176.600 0.001 0.000 0.985 1191 E CA 1.306 57.727 56.400 0.034 0.000 0.801 1191 E CB 0.028 29.754 29.700 0.043 0.000 0.750 1191 E HN 0.086 nan 8.360 nan 0.000 0.452 1192 V N 1.148 121.038 119.914 -0.040 0.000 2.407 1192 V HA -0.217 3.907 4.120 0.006 0.000 0.248 1192 V C 2.342 178.351 176.094 -0.142 0.000 1.055 1192 V CA 1.225 63.459 62.300 -0.110 0.000 1.049 1192 V CB -0.340 31.381 31.823 -0.170 0.000 0.662 1192 V HN 0.125 nan 8.190 nan 0.000 0.455 1193 V N -0.255 119.584 119.914 -0.124 0.000 2.343 1193 V HA -0.220 3.904 4.120 0.006 0.000 0.247 1193 V C 2.571 178.588 176.094 -0.128 0.000 1.051 1193 V CA 1.720 63.948 62.300 -0.120 0.000 1.036 1193 V CB -0.665 31.109 31.823 -0.082 0.000 0.654 1193 V HN 0.512 nan 8.190 nan 0.000 0.451 1194 K N 0.390 120.718 120.400 -0.120 0.000 2.063 1194 K HA -0.139 4.184 4.320 0.006 0.000 0.208 1194 K C 2.253 178.574 176.600 -0.465 0.000 1.048 1194 K CA 1.645 57.802 56.287 -0.216 0.000 0.928 1194 K CB -0.834 31.632 32.500 -0.058 0.000 0.713 1194 K HN 0.557 nan 8.250 nan 0.000 0.442 1195 G N 0.889 109.512 108.800 -0.296 0.000 2.418 1195 G HA2 -0.223 3.741 3.960 0.006 0.000 0.217 1195 G HA3 -0.223 3.741 3.960 0.006 0.000 0.217 1195 G C 1.553 176.316 174.900 -0.228 0.000 1.158 1195 G CA 1.246 46.180 45.100 -0.277 0.000 0.771 1195 G HN 0.235 nan 8.290 nan 0.000 0.545 1196 T N 1.277 115.732 114.554 -0.166 0.000 2.777 1196 T HA -0.030 4.324 4.350 0.006 0.000 0.266 1196 T C 2.390 177.040 174.700 -0.083 0.000 1.040 1196 T CA 0.904 62.950 62.100 -0.091 0.000 1.141 1196 T CB -0.132 68.693 68.868 -0.072 0.000 0.868 1196 T HN 0.224 nan 8.240 nan 0.000 0.444 1197 I N 1.346 121.839 120.570 -0.128 0.000 2.226 1197 I HA -0.185 3.989 4.170 0.006 0.000 0.245 1197 I C 2.885 178.915 176.117 -0.144 0.000 1.100 1197 I CA 1.062 62.294 61.300 -0.114 0.000 1.374 1197 I CB -0.444 37.484 38.000 -0.120 0.000 1.057 1197 I HN 0.190 nan 8.210 nan 0.000 0.413 1198 A N 0.766 123.426 122.820 -0.266 0.000 1.908 1198 A HA -0.197 4.127 4.320 0.006 0.000 0.218 1198 A C 2.286 179.811 177.584 -0.099 0.000 1.181 1198 A CA 1.567 53.466 52.037 -0.230 0.000 0.627 1198 A CB -0.917 17.824 19.000 -0.432 0.000 0.818 1198 A HN 0.411 nan 8.150 nan 0.000 0.445 1199 L N -0.749 120.422 121.223 -0.087 0.000 2.201 1199 L HA -0.124 4.220 4.340 0.006 0.000 0.212 1199 L C 2.366 179.225 176.870 -0.018 0.000 1.105 1199 L CA 0.830 55.651 54.840 -0.032 0.000 0.775 1199 L CB -0.403 41.644 42.059 -0.019 0.000 0.913 1199 L HN 0.409 nan 8.230 nan 0.000 0.440 1200 I N -0.674 119.882 120.570 -0.022 0.000 2.286 1200 I HA -0.230 3.944 4.170 0.006 0.000 0.245 1200 I C 2.665 178.772 176.117 -0.016 0.000 1.104 1200 I CA 1.074 62.367 61.300 -0.012 0.000 1.397 1200 I CB -0.233 37.763 38.000 -0.007 0.000 1.072 1200 I HN 0.154 nan 8.210 nan 0.000 0.417 1201 R N 0.476 120.961 120.500 -0.025 0.000 2.075 1201 R HA -0.079 4.264 4.340 0.006 0.000 0.232 1201 R C 0.597 176.892 176.300 -0.008 0.000 1.126 1201 R CA 0.961 57.051 56.100 -0.017 0.000 0.963 1201 R CB -0.148 30.140 30.300 -0.020 0.000 0.858 1201 R HN 0.202 nan 8.270 nan 0.000 0.435 1202 N N -0.560 118.136 118.700 -0.007 0.000 2.607 1202 N HA 0.171 4.915 4.740 0.006 0.000 0.271 1202 N C -2.471 173.041 175.510 0.004 0.000 1.142 1202 N CA -2.117 50.934 53.050 0.003 0.000 0.810 1202 N CB 1.709 40.204 38.487 0.013 0.000 1.306 1202 N HN -0.274 nan 8.380 nan 0.000 0.536 1203 P HA -0.071 nan 4.420 nan 0.000 0.223 1203 P C 0.394 177.698 177.300 0.007 0.000 1.144 1203 P CA 1.117 64.218 63.100 0.002 0.000 0.783 1203 P CB 0.442 32.142 31.700 -0.001 0.000 0.771 1204 Q N -1.893 117.913 119.800 0.009 0.000 2.320 1204 Q HA 0.091 4.435 4.340 0.006 0.000 0.201 1204 Q C 0.122 176.134 176.000 0.019 0.000 0.910 1204 Q CA 0.258 56.068 55.803 0.012 0.000 0.946 1204 Q CB -0.960 27.784 28.738 0.009 0.000 1.062 1204 Q HN 0.095 nan 8.270 nan 0.000 0.503 1205 T N 1.194 115.764 114.554 0.027 0.000 2.849 1205 T HA 0.041 4.395 4.350 0.006 0.000 0.289 1205 T C 0.437 175.160 174.700 0.037 0.000 1.010 1205 T CA 0.201 62.328 62.100 0.044 0.000 1.161 1205 T CB 0.254 69.160 68.868 0.064 0.000 0.989 1205 T HN 0.394 nan 8.240 nan 0.000 0.523 1206 S N 2.955 118.676 115.700 0.035 0.000 2.593 1206 S HA 0.119 4.592 4.470 0.006 0.000 0.269 1206 S C 1.071 175.687 174.600 0.026 0.000 1.334 1206 S CA -0.856 57.358 58.200 0.023 0.000 1.015 1206 S CB 0.813 64.022 63.200 0.015 0.000 0.912 1206 S HN 0.626 nan 8.310 nan 0.000 0.541 1207 D N 0.894 121.304 120.400 0.016 0.000 2.149 1207 D HA -0.189 4.454 4.640 0.006 0.000 0.194 1207 D C 1.655 177.962 176.300 0.012 0.000 1.001 1207 D CA 1.824 55.833 54.000 0.014 0.000 0.849 1207 D CB -0.177 40.627 40.800 0.007 0.000 0.939 1207 D HN 0.874 nan 8.370 nan 0.000 0.449 1208 E N 0.444 120.647 120.200 0.005 0.000 2.107 1208 E HA -0.186 4.168 4.350 0.006 0.000 0.191 1208 E C 1.915 178.505 176.600 -0.017 0.000 0.982 1208 E CA 0.796 57.191 56.400 -0.007 0.000 0.809 1208 E CB 0.184 29.878 29.700 -0.010 0.000 0.756 1208 E HN -0.082 nan 8.360 nan 0.000 0.459 1209 K N 0.918 121.316 120.400 -0.003 0.000 2.155 1209 K HA -0.052 4.271 4.320 0.006 0.000 0.203 1209 K C 2.000 178.609 176.600 0.016 0.000 1.052 1209 K CA 0.716 56.995 56.287 -0.014 0.000 0.948 1209 K CB -0.432 32.086 32.500 0.030 0.000 0.728 1209 K HN 0.167 nan 8.250 nan 0.000 0.448 1210 L N 0.083 121.358 121.223 0.088 0.000 2.083 1210 L HA -0.087 4.256 4.340 0.006 0.000 0.209 1210 L C 1.999 178.926 176.870 0.095 0.000 1.083 1210 L CA 1.533 56.472 54.840 0.166 0.000 0.752 1210 L CB -0.571 41.544 42.059 0.093 0.000 0.899 1210 L HN 0.341 nan 8.230 nan 0.000 0.433 1211 A N -0.503 122.327 122.820 0.017 0.000 2.121 1211 A HA -0.192 4.132 4.320 0.006 0.000 0.218 1211 A C 1.936 179.490 177.584 -0.051 0.000 1.154 1211 A CA 1.216 53.248 52.037 -0.008 0.000 0.679 1211 A CB -0.320 18.670 19.000 -0.017 0.000 0.795 1211 A HN 0.559 nan 8.150 nan 0.000 0.458 1212 E N -1.345 118.777 120.200 -0.129 0.000 2.107 1212 E HA -0.162 4.192 4.350 0.006 0.000 0.191 1212 E C 1.534 177.987 176.600 -0.246 0.000 0.982 1212 E CA 1.300 57.560 56.400 -0.234 0.000 0.809 1212 E CB -0.260 29.213 29.700 -0.378 0.000 0.756 1212 E HN 0.877 nan 8.360 nan 0.000 0.459 1213 Y N 0.340 120.628 120.300 -0.020 0.000 2.243 1213 Y HA 0.059 4.612 4.550 0.006 0.000 0.293 1213 Y C 1.246 177.132 175.900 -0.023 0.000 1.124 1213 Y CA 0.290 58.377 58.100 -0.022 0.000 1.159 1213 Y CB 0.373 38.818 38.460 -0.024 0.000 1.008 1213 Y HN -0.115 nan 8.280 nan 0.000 0.527 1214 I N 1.483 122.130 120.570 0.128 0.000 2.503 1214 I HA 0.200 4.374 4.170 0.006 0.000 0.277 1214 I C -2.133 174.003 176.117 0.030 0.000 1.078 1214 I CA -1.751 59.592 61.300 0.072 0.000 1.184 1214 I CB 1.433 39.471 38.000 0.063 0.000 1.353 1214 I HN -0.087 nan 8.210 nan 0.000 0.490 1215 P HA 0.041 nan 4.420 nan 0.000 0.221 1215 P C 0.300 177.567 177.300 -0.055 0.000 1.150 1215 P CA 0.732 63.813 63.100 -0.033 0.000 0.800 1215 P CB 0.502 32.174 31.700 -0.047 0.000 0.787 1216 A N -2.855 119.919 122.820 -0.078 0.000 2.515 1216 A HA 0.565 4.889 4.320 0.006 0.000 0.292 1216 A C -3.094 174.294 177.584 -0.328 0.000 1.065 1216 A CA -1.185 50.740 52.037 -0.187 0.000 0.641 1216 A CB -0.027 18.849 19.000 -0.207 0.000 1.306 1216 A HN -0.274 nan 8.150 nan 0.000 0.441 1217 P HA 0.398 nan 4.420 nan 0.000 0.271 1217 P C -1.111 175.833 177.300 -0.594 0.000 1.244 1217 P CA 0.402 62.912 63.100 -0.983 0.000 0.793 1217 P CB 0.440 31.522 31.700 -1.029 0.000 0.984 1218 D N 0.765 120.853 120.400 -0.520 0.000 2.476 1218 D HA 0.276 4.919 4.640 0.006 0.000 0.251 1218 D C -1.211 174.863 176.300 -0.376 0.000 1.291 1218 D CA -0.306 53.492 54.000 -0.337 0.000 0.939 1218 D CB 0.305 40.983 40.800 -0.203 0.000 1.221 1218 D HN -0.043 nan 8.370 nan 0.000 0.567 1219 L N 4.014 125.006 121.223 -0.385 0.000 2.399 1219 L HA 0.501 4.844 4.340 0.006 0.000 0.265 1219 L C -1.803 174.870 176.870 -0.328 0.000 1.089 1219 L CA -2.337 52.204 54.840 -0.500 0.000 0.802 1219 L CB 0.716 42.460 42.059 -0.525 0.000 1.180 1219 L HN 0.324 nan 8.230 nan 0.000 0.454 1220 P HA 0.096 nan 4.420 nan 0.000 0.232 1220 P C -0.131 177.157 177.300 -0.019 0.000 1.738 1220 P CA 0.398 63.413 63.100 -0.142 0.000 0.948 1220 P CB -0.005 31.654 31.700 -0.069 0.000 1.943 1221 T N -0.790 113.736 114.554 -0.045 0.000 2.830 1221 T HA 0.220 4.574 4.350 0.006 0.000 0.322 1221 T C -0.021 174.667 174.700 -0.020 0.000 1.501 1221 T CA -0.709 61.396 62.100 0.009 0.000 1.036 1221 T CB 1.132 70.043 68.868 0.072 0.000 1.379 1221 T HN -0.101 nan 8.240 nan 0.000 0.493 1222 K N 1.522 121.921 120.400 -0.003 0.000 2.437 1222 K HA 0.425 4.748 4.320 0.006 0.000 0.198 1222 K C 1.050 177.651 176.600 0.002 0.000 1.024 1222 K CA -0.195 56.084 56.287 -0.012 0.000 1.148 1222 K CB 0.243 32.736 32.500 -0.012 0.000 0.860 1222 K HN 0.662 nan 8.250 nan 0.000 0.515 1223 A N 1.826 124.660 122.820 0.024 0.000 2.387 1223 A HA 0.020 4.343 4.320 0.006 0.000 0.251 1223 A C -0.053 177.539 177.584 0.013 0.000 1.113 1223 A CA 0.193 52.255 52.037 0.042 0.000 0.794 1223 A CB 0.239 19.288 19.000 0.080 0.000 1.069 1223 A HN 0.247 nan 8.150 nan 0.000 0.506 1224 E N -0.663 119.545 120.200 0.014 0.000 2.202 1224 E HA 0.499 4.852 4.350 0.006 0.000 0.272 1224 E C -1.076 175.527 176.600 0.006 0.000 0.951 1224 E CA -0.352 56.042 56.400 -0.010 0.000 0.813 1224 E CB 1.688 31.370 29.700 -0.029 0.000 1.151 1224 E HN 0.508 nan 8.360 nan 0.000 0.398 1225 I N 4.087 124.656 120.570 -0.002 0.000 2.315 1225 I HA 0.176 4.349 4.170 0.006 0.000 0.291 1225 I C 0.923 177.047 176.117 0.011 0.000 1.006 1225 I CA -0.041 61.279 61.300 0.033 0.000 1.265 1225 I CB 0.666 38.660 38.000 -0.009 0.000 1.387 1225 I HN 0.590 nan 8.210 nan 0.000 0.475 1226 I N 0.842 121.427 120.570 0.025 0.000 4.081 1226 I HA 0.238 4.412 4.170 0.006 0.000 0.333 1226 I C 0.278 176.404 176.117 0.014 0.000 1.413 1226 I CA -0.125 61.171 61.300 -0.006 0.000 1.110 1226 I CB 0.355 38.326 38.000 -0.048 0.000 1.082 1226 I HN 0.313 nan 8.210 nan 0.000 0.402 1227 T N 4.787 119.370 114.554 0.049 0.000 2.901 1227 T HA 0.281 4.635 4.350 0.006 0.000 0.301 1227 T C -2.266 172.449 174.700 0.024 0.000 1.012 1227 T CA -0.466 61.667 62.100 0.055 0.000 1.135 1227 T CB 0.545 69.480 68.868 0.111 0.000 0.936 1227 T HN 0.150 nan 8.240 nan 0.000 0.539 1228 P HA 0.212 nan 4.420 nan 0.000 0.274 1228 P C -1.947 175.355 177.300 0.002 0.000 1.231 1228 P CA -1.663 61.440 63.100 0.005 0.000 0.790 1228 P CB 0.068 31.771 31.700 0.006 0.000 0.951 1229 P HA -0.223 nan 4.420 nan 0.000 0.216 1229 P C 1.304 178.600 177.300 -0.007 0.000 1.150 1229 P CA 1.591 64.683 63.100 -0.013 0.000 0.843 1229 P CB -0.168 31.522 31.700 -0.018 0.000 0.787 1230 E N 0.072 120.271 120.200 -0.002 0.000 2.216 1230 E HA -0.158 4.195 4.350 0.006 0.000 0.192 1230 E C 1.638 178.243 176.600 0.008 0.000 0.988 1230 E CA 0.861 57.262 56.400 0.001 0.000 0.834 1230 E CB -0.560 29.141 29.700 0.001 0.000 0.772 1230 E HN 0.267 nan 8.360 nan 0.000 0.479 1231 E N 0.862 121.070 120.200 0.014 0.000 2.112 1231 E HA -0.043 4.310 4.350 0.006 0.000 0.190 1231 E C 2.182 178.799 176.600 0.028 0.000 0.979 1231 E CA 0.660 57.075 56.400 0.025 0.000 0.814 1231 E CB 0.014 29.735 29.700 0.035 0.000 0.762 1231 E HN 0.281 nan 8.360 nan 0.000 0.460 1232 L N 0.985 122.218 121.223 0.017 0.000 2.042 1232 L HA -0.215 4.129 4.340 0.006 0.000 0.210 1232 L C 2.521 179.392 176.870 0.003 0.000 1.076 1232 L CA 0.901 55.742 54.840 0.003 0.000 0.749 1232 L CB -0.342 41.703 42.059 -0.023 0.000 0.893 1232 L HN 0.240 nan 8.230 nan 0.000 0.432 1233 L N 0.126 121.350 121.223 0.002 0.000 2.017 1233 L HA -0.260 4.083 4.340 0.006 0.000 0.208 1233 L C 2.740 179.615 176.870 0.009 0.000 1.073 1233 L CA 1.620 56.461 54.840 0.002 0.000 0.745 1233 L CB -0.229 41.830 42.059 -0.001 0.000 0.894 1233 L HN 0.289 nan 8.230 nan 0.000 0.432 1234 K N 0.338 120.746 120.400 0.014 0.000 2.097 1234 K HA -0.199 4.124 4.320 0.006 0.000 0.206 1234 K C 1.976 178.590 176.600 0.023 0.000 1.049 1234 K CA 1.442 57.739 56.287 0.017 0.000 0.933 1234 K CB -0.134 32.378 32.500 0.020 0.000 0.717 1234 K HN 0.293 nan 8.250 nan 0.000 0.442 1235 I N 1.164 121.752 120.570 0.031 0.000 2.163 1235 I HA -0.328 3.845 4.170 0.006 0.000 0.243 1235 I C 2.479 178.613 176.117 0.029 0.000 1.085 1235 I CA 1.482 62.806 61.300 0.040 0.000 1.347 1235 I CB -0.280 37.753 38.000 0.056 0.000 1.044 1235 I HN 0.324 nan 8.210 nan 0.000 0.408 1236 Q N -0.056 119.755 119.800 0.019 0.000 2.119 1236 Q HA -0.190 4.154 4.340 0.006 0.000 0.201 1236 Q C 2.302 178.304 176.000 0.004 0.000 0.972 1236 Q CA 2.190 57.999 55.803 0.010 0.000 0.847 1236 Q CB -0.287 28.455 28.738 0.006 0.000 0.903 1236 Q HN 0.664 nan 8.270 nan 0.000 0.433 1237 T N -2.269 112.289 114.554 0.007 0.000 2.978 1237 T HA -0.057 4.296 4.350 0.006 0.000 0.262 1237 T C 2.018 176.722 174.700 0.006 0.000 1.063 1237 T CA 1.321 63.424 62.100 0.005 0.000 1.140 1237 T CB -0.272 68.600 68.868 0.006 0.000 0.886 1237 T HN 0.350 nan 8.240 nan 0.000 0.470 1238 T N -2.517 112.044 114.554 0.011 0.000 3.044 1238 T HA 0.466 4.819 4.350 0.006 0.000 0.250 1238 T C 1.956 176.663 174.700 0.012 0.000 1.081 1238 T CA 0.647 62.754 62.100 0.012 0.000 1.040 1238 T CB -0.334 68.544 68.868 0.017 0.000 0.962 1238 T HN 0.917 nan 8.240 nan 0.000 0.506 1239 G N 2.441 111.249 108.800 0.014 0.000 2.184 1239 G HA2 -0.279 3.684 3.960 0.006 0.000 0.264 1239 G HA3 -0.279 3.684 3.960 0.006 0.000 0.264 1239 G C 0.103 175.020 174.900 0.029 0.000 0.975 1239 G CA 0.379 45.488 45.100 0.015 0.000 0.642 1239 G HN 1.015 nan 8.290 nan 0.000 0.536 1240 R N -1.033 119.488 120.500 0.035 0.000 2.739 1240 R HA 0.768 5.112 4.340 0.006 0.000 0.271 1240 R C 0.273 176.606 176.300 0.055 0.000 1.010 1240 R CA 0.189 56.316 56.100 0.046 0.000 0.897 1240 R CB 1.470 31.793 30.300 0.037 0.000 1.236 1240 R HN 1.608 nan 8.270 nan 0.000 0.466 1241 G N 0.267 109.108 108.800 0.069 0.000 2.334 1241 G HA2 0.206 4.170 3.960 0.006 0.000 0.249 1241 G HA3 0.206 4.170 3.960 0.006 0.000 0.249 1241 G C -1.636 173.325 174.900 0.102 0.000 1.327 1241 G CA -0.094 45.051 45.100 0.074 0.000 0.979 1241 G HN 0.681 nan 8.290 nan 0.000 0.471 1242 S N -0.969 114.803 115.700 0.121 0.000 2.533 1242 S HA 0.738 5.211 4.470 0.006 0.000 0.271 1242 S C -1.248 173.475 174.600 0.206 0.000 1.143 1242 S CA -0.317 57.960 58.200 0.129 0.000 0.891 1242 S CB 1.064 64.294 63.200 0.049 0.000 1.105 1242 S HN 1.648 nan 8.310 nan 0.000 0.468 1243 Y N 1.401 121.765 120.300 0.108 0.000 2.633 1243 Y HA 0.866 5.420 4.550 0.006 0.000 0.339 1243 Y C -0.479 175.530 175.900 0.181 0.000 1.045 1243 Y CA -1.251 56.908 58.100 0.099 0.000 1.098 1243 Y CB 0.950 39.439 38.460 0.048 0.000 1.296 1243 Y HN 0.601 nan 8.280 nan 0.000 0.494 1244 R N 1.525 122.127 120.500 0.170 0.000 2.744 1244 R HA 0.702 5.045 4.340 0.006 0.000 0.279 1244 R C -1.338 175.068 176.300 0.178 0.000 0.977 1244 R CA -0.996 55.164 56.100 0.100 0.000 0.906 1244 R CB 2.377 32.694 30.300 0.028 0.000 1.197 1244 R HN 0.847 nan 8.270 nan 0.000 0.463 1245 M N 1.462 121.176 119.600 0.189 0.000 2.591 1245 M HA 0.544 5.027 4.480 0.006 0.000 0.306 1245 M C -0.632 175.693 176.300 0.042 0.000 1.190 1245 M CA -0.777 54.615 55.300 0.152 0.000 0.889 1245 M CB 2.811 35.558 32.600 0.245 0.000 1.728 1245 M HN 0.306 nan 8.290 nan 0.000 0.458 1246 R N 0.315 120.799 120.500 -0.027 0.000 2.750 1246 R HA 0.759 5.102 4.340 0.006 0.000 0.281 1246 R C -0.696 175.638 176.300 0.058 0.000 0.972 1246 R CA -0.746 55.281 56.100 -0.123 0.000 0.912 1246 R CB 2.277 32.295 30.300 -0.469 0.000 1.187 1246 R HN 0.864 nan 8.270 nan 0.000 0.464 1247 A N 1.778 124.734 122.820 0.227 0.000 2.448 1247 A HA 0.272 4.596 4.320 0.006 0.000 0.239 1247 A C -0.115 177.663 177.584 0.324 0.000 1.080 1247 A CA -0.114 52.094 52.037 0.285 0.000 0.779 1247 A CB 0.445 19.649 19.000 0.341 0.000 1.026 1247 A HN 0.377 nan 8.150 nan 0.000 0.499 1248 V N 2.230 122.286 119.914 0.237 0.000 2.483 1248 V HA 0.590 4.714 4.120 0.006 0.000 0.295 1248 V C -0.580 175.656 176.094 0.236 0.000 1.035 1248 V CA -0.162 62.243 62.300 0.176 0.000 0.896 1248 V CB 0.839 32.696 31.823 0.056 0.000 0.986 1248 V HN 0.925 nan 8.190 nan 0.000 0.447 1249 Y N 1.590 121.946 120.300 0.093 0.000 2.615 1249 Y HA 0.893 5.447 4.550 0.006 0.000 0.341 1249 Y C -0.252 175.676 175.900 0.047 0.000 1.089 1249 Y CA -0.976 57.161 58.100 0.062 0.000 1.049 1249 Y CB 1.726 40.221 38.460 0.059 0.000 1.296 1249 Y HN 0.631 nan 8.280 nan 0.000 0.470 1250 T N -0.160 114.476 114.554 0.138 0.000 2.907 1250 T HA 0.728 5.082 4.350 0.006 0.000 0.290 1250 T C -1.166 173.651 174.700 0.195 0.000 1.066 1250 T CA -0.886 61.257 62.100 0.071 0.000 1.012 1250 T CB 1.722 70.602 68.868 0.020 0.000 1.184 1250 T HN 0.665 nan 8.240 nan 0.000 0.522 1251 I N 1.515 122.166 120.570 0.135 0.000 2.354 1251 I HA 0.452 4.625 4.170 0.006 0.000 0.292 1251 I C -0.089 176.066 176.117 0.063 0.000 0.989 1251 I CA -0.606 60.764 61.300 0.117 0.000 1.188 1251 I CB 1.154 39.223 38.000 0.115 0.000 1.342 1251 I HN 0.833 nan 8.210 nan 0.000 0.457 1252 E N 6.362 126.592 120.200 0.050 0.000 2.216 1252 E HA 0.385 4.738 4.350 0.006 0.000 0.260 1252 E C -0.241 176.373 176.600 0.023 0.000 0.880 1252 E CA -0.682 55.736 56.400 0.031 0.000 0.765 1252 E CB 2.364 32.080 29.700 0.027 0.000 1.174 1252 E HN 0.428 nan 8.360 nan 0.000 0.417 1253 K N 1.426 121.837 120.400 0.018 0.000 1.721 1253 K HA -0.279 4.045 4.320 0.006 0.000 0.121 1253 K C 0.754 177.361 176.600 0.011 0.000 1.152 1253 K CA 2.121 58.416 56.287 0.013 0.000 0.360 1253 K CB -0.782 31.723 32.500 0.009 0.000 0.626 1253 K HN 0.746 nan 8.250 nan 0.000 0.878 1254 N N 2.419 121.122 118.700 0.006 0.000 2.295 1254 N HA 0.025 4.768 4.740 0.006 0.000 0.221 1254 N C -0.840 174.668 175.510 -0.003 0.000 1.129 1254 N CA 0.405 53.455 53.050 0.000 0.000 0.836 1254 N CB 0.312 38.797 38.487 -0.004 0.000 1.040 1254 N HN 0.354 nan 8.380 nan 0.000 0.494 1255 E N 0.751 120.954 120.200 0.005 0.000 2.222 1255 E HA 0.422 4.776 4.350 0.006 0.000 0.267 1255 E C -0.480 176.128 176.600 0.013 0.000 0.884 1255 E CA -0.726 55.675 56.400 0.002 0.000 0.764 1255 E CB 2.362 32.066 29.700 0.007 0.000 1.169 1255 E HN 0.154 nan 8.360 nan 0.000 0.413 1256 I N 2.627 123.191 120.570 -0.010 0.000 2.325 1256 I HA 0.171 4.345 4.170 0.006 0.000 0.291 1256 I C -0.481 175.648 176.117 0.021 0.000 1.019 1256 I CA -0.746 60.550 61.300 -0.006 0.000 1.302 1256 I CB 0.991 38.914 38.000 -0.127 0.000 1.401 1256 I HN 0.162 nan 8.210 nan 0.000 0.485 1257 V N 8.040 128.007 119.914 0.089 0.000 2.326 1257 V HA 0.382 4.506 4.120 0.006 0.000 0.281 1257 V C 0.079 176.250 176.094 0.128 0.000 1.015 1257 V CA -0.420 61.928 62.300 0.080 0.000 0.823 1257 V CB 1.267 33.129 31.823 0.065 0.000 1.009 1257 V HN 0.488 nan 8.190 nan 0.000 0.436 1258 I N 4.599 125.227 120.570 0.098 0.000 2.325 1258 I HA 0.296 4.469 4.170 0.006 0.000 0.291 1258 I C 1.349 177.518 176.117 0.088 0.000 1.019 1258 I CA 0.082 61.459 61.300 0.128 0.000 1.302 1258 I CB 1.885 39.944 38.000 0.098 0.000 1.401 1258 I HN 0.758 nan 8.210 nan 0.000 0.485 1259 T N 0.712 115.321 114.554 0.091 0.000 2.985 1259 T HA 0.303 4.657 4.350 0.006 0.000 0.254 1259 T C 0.385 175.117 174.700 0.053 0.000 1.021 1259 T CA -0.109 62.025 62.100 0.056 0.000 0.957 1259 T CB 0.264 69.155 68.868 0.039 0.000 1.047 1259 T HN 0.428 nan 8.240 nan 0.000 0.511 1260 E N 1.100 121.345 120.200 0.076 0.000 2.290 1260 E HA 0.531 4.884 4.350 0.006 0.000 0.274 1260 E C -1.296 175.363 176.600 0.099 0.000 0.889 1260 E CA -0.519 55.925 56.400 0.072 0.000 0.760 1260 E CB 2.769 32.505 29.700 0.060 0.000 1.206 1260 E HN 0.289 nan 8.360 nan 0.000 0.419 1261 L N 2.428 123.706 121.223 0.093 0.000 2.334 1261 L HA 0.500 4.843 4.340 0.006 0.000 0.270 1261 L C -2.264 174.687 176.870 0.135 0.000 1.018 1261 L CA -2.284 52.622 54.840 0.111 0.000 0.811 1261 L CB 1.379 43.488 42.059 0.084 0.000 1.271 1261 L HN 0.119 nan 8.230 nan 0.000 0.443 1262 P HA -0.100 nan 4.420 nan 0.000 0.267 1262 P C -0.872 176.591 177.300 0.272 0.000 1.200 1262 P CA -0.010 63.227 63.100 0.227 0.000 0.772 1262 P CB 0.189 32.054 31.700 0.275 0.000 0.855 1263 Y N 2.798 123.162 120.300 0.106 0.000 2.944 1263 Y HA -0.251 4.303 4.550 0.007 0.000 0.340 1263 Y C 1.313 177.338 175.900 0.209 0.000 1.275 1263 Y CA 0.480 58.626 58.100 0.076 0.000 1.590 1263 Y CB -0.124 38.259 38.460 -0.128 0.000 1.218 1263 Y HN 0.531 nan 8.280 nan 0.000 0.576 1264 Q N 1.177 120.917 119.800 -0.100 0.000 2.424 1264 Q HA -0.210 4.133 4.340 0.006 0.000 0.234 1264 Q C -0.951 175.041 176.000 -0.013 0.000 0.748 1264 Q CA 0.620 56.324 55.803 -0.165 0.000 1.286 1264 Q CB -1.557 26.974 28.738 -0.344 0.000 1.494 1264 Q HN 0.438 nan 8.270 nan 0.000 0.683 1265 V N 1.143 121.086 119.914 0.049 0.000 2.439 1265 V HA 0.365 4.488 4.120 0.006 0.000 0.282 1265 V C 0.322 176.422 176.094 0.011 0.000 1.039 1265 V CA 0.106 62.427 62.300 0.035 0.000 0.913 1265 V CB 1.797 33.661 31.823 0.068 0.000 0.983 1265 V HN 0.222 nan 8.190 nan 0.000 0.460 1266 S N 3.798 119.495 115.700 -0.006 0.000 2.452 1266 S HA 0.373 4.846 4.470 0.006 0.000 0.284 1266 S C 1.411 176.001 174.600 -0.016 0.000 1.171 1266 S CA 0.010 58.197 58.200 -0.022 0.000 1.064 1266 S CB 1.210 64.396 63.200 -0.023 0.000 0.967 1266 S HN 0.986 nan 8.310 nan 0.000 0.484 1267 G N 3.753 112.540 108.800 -0.023 0.000 2.469 1267 G HA2 -0.180 3.783 3.960 0.006 0.000 0.220 1267 G HA3 -0.180 3.783 3.960 0.006 0.000 0.220 1267 G C 1.505 176.395 174.900 -0.017 0.000 1.136 1267 G CA 1.109 46.200 45.100 -0.015 0.000 0.759 1267 G HN 0.713 nan 8.290 nan 0.000 0.562 1268 S N 0.265 115.952 115.700 -0.022 0.000 2.368 1268 S HA -0.055 4.418 4.470 0.006 0.000 0.225 1268 S C 2.266 176.856 174.600 -0.017 0.000 1.030 1268 S CA 1.305 59.494 58.200 -0.019 0.000 0.999 1268 S CB -0.169 63.019 63.200 -0.020 0.000 0.844 1268 S HN 0.425 nan 8.310 nan 0.000 0.459 1269 K N 0.736 121.126 120.400 -0.017 0.000 2.026 1269 K HA -0.050 4.273 4.320 0.006 0.000 0.208 1269 K C 2.101 178.692 176.600 -0.016 0.000 1.048 1269 K CA 1.192 57.470 56.287 -0.016 0.000 0.929 1269 K CB -0.559 31.931 32.500 -0.016 0.000 0.713 1269 K HN 0.159 nan 8.250 nan 0.000 0.439 1270 V N 2.103 122.009 119.914 -0.014 0.000 2.282 1270 V HA -0.283 3.841 4.120 0.006 0.000 0.249 1270 V C 2.239 178.321 176.094 -0.020 0.000 1.057 1270 V CA 1.772 64.063 62.300 -0.015 0.000 1.032 1270 V CB -0.398 31.421 31.823 -0.006 0.000 0.645 1270 V HN 0.292 nan 8.190 nan 0.000 0.447 1271 I N -0.394 120.165 120.570 -0.018 0.000 2.264 1271 I HA -0.253 3.920 4.170 0.006 0.000 0.248 1271 I C 2.497 178.603 176.117 -0.018 0.000 1.111 1271 I CA 1.873 63.161 61.300 -0.019 0.000 1.382 1271 I CB -0.558 37.432 38.000 -0.017 0.000 1.060 1271 I HN 0.327 nan 8.210 nan 0.000 0.418 1272 T N -0.040 114.504 114.554 -0.017 0.000 2.777 1272 T HA -0.211 4.143 4.350 0.006 0.000 0.266 1272 T C 1.869 176.560 174.700 -0.016 0.000 1.040 1272 T CA 1.303 63.394 62.100 -0.015 0.000 1.141 1272 T CB -0.168 68.692 68.868 -0.014 0.000 0.868 1272 T HN 0.400 nan 8.240 nan 0.000 0.444 1273 Q N 0.160 119.949 119.800 -0.019 0.000 2.084 1273 Q HA 0.011 4.354 4.340 0.006 0.000 0.202 1273 Q C 2.314 178.303 176.000 -0.018 0.000 0.978 1273 Q CA 1.231 57.022 55.803 -0.020 0.000 0.844 1273 Q CB -0.283 28.439 28.738 -0.026 0.000 0.898 1273 Q HN 0.517 nan 8.270 nan 0.000 0.426 1274 I N 0.375 120.932 120.570 -0.022 0.000 2.202 1274 I HA -0.247 3.926 4.170 0.006 0.000 0.242 1274 I C 2.403 178.512 176.117 -0.014 0.000 1.091 1274 I CA 0.867 62.155 61.300 -0.020 0.000 1.368 1274 I CB -0.447 37.534 38.000 -0.032 0.000 1.058 1274 I HN 0.167 nan 8.210 nan 0.000 0.410 1275 A N 0.604 123.415 122.820 -0.015 0.000 1.940 1275 A HA -0.250 4.073 4.320 0.006 0.000 0.219 1275 A C 1.927 179.506 177.584 -0.009 0.000 1.176 1275 A CA 2.100 54.129 52.037 -0.013 0.000 0.631 1275 A CB -0.597 18.395 19.000 -0.013 0.000 0.814 1275 A HN 0.348 nan 8.150 nan 0.000 0.446 1276 D N -0.416 119.979 120.400 -0.008 0.000 2.117 1276 D HA -0.150 4.493 4.640 0.006 0.000 0.197 1276 D C 2.200 178.500 176.300 -0.000 0.000 0.987 1276 D CA 1.428 55.425 54.000 -0.005 0.000 0.829 1276 D CB -0.376 40.420 40.800 -0.006 0.000 0.961 1276 D HN 0.626 nan 8.370 nan 0.000 0.460 1277 Q N -0.401 119.403 119.800 0.006 0.000 2.119 1277 Q HA -0.048 4.296 4.340 0.006 0.000 0.201 1277 Q C 2.345 178.348 176.000 0.005 0.000 0.972 1277 Q CA 0.781 56.596 55.803 0.019 0.000 0.847 1277 Q CB -0.061 28.706 28.738 0.049 0.000 0.903 1277 Q HN 0.347 nan 8.270 nan 0.000 0.433 1278 M N 0.316 119.914 119.600 -0.004 0.000 2.065 1278 M HA -0.261 4.222 4.480 0.006 0.000 0.259 1278 M C 2.136 178.429 176.300 -0.012 0.000 1.069 1278 M CA 1.764 57.056 55.300 -0.012 0.000 1.110 1278 M CB -0.309 32.282 32.600 -0.015 0.000 1.328 1278 M HN 0.179 nan 8.290 nan 0.000 0.405 1279 Q N -0.120 119.674 119.800 -0.009 0.000 2.124 1279 Q HA -0.071 4.272 4.340 0.006 0.000 0.202 1279 Q C 1.870 177.865 176.000 -0.007 0.000 0.977 1279 Q CA 1.408 57.206 55.803 -0.008 0.000 0.850 1279 Q CB -0.225 28.508 28.738 -0.007 0.000 0.901 1279 Q HN 0.580 nan 8.270 nan 0.000 0.429 1280 A N 0.430 123.248 122.820 -0.005 0.000 2.252 1280 A HA -0.038 4.285 4.320 0.006 0.000 0.207 1280 A C 0.258 177.838 177.584 -0.006 0.000 1.194 1280 A CA 0.195 52.230 52.037 -0.003 0.000 0.809 1280 A CB 0.103 19.105 19.000 0.002 0.000 0.814 1280 A HN 0.126 nan 8.150 nan 0.000 0.482 1281 K N -1.619 118.774 120.400 -0.011 0.000 3.160 1281 K HA -0.185 4.139 4.320 0.006 0.000 0.280 1281 K C 0.359 176.944 176.600 -0.024 0.000 1.154 1281 K CA 1.518 57.794 56.287 -0.018 0.000 0.822 1281 K CB -1.661 30.829 32.500 -0.016 0.000 1.239 1281 K HN 0.624 nan 8.250 nan 0.000 0.489 1282 K N -0.030 120.358 120.400 -0.020 0.000 2.374 1282 K HA 0.259 4.583 4.320 0.006 0.000 0.196 1282 K C 0.842 177.397 176.600 -0.076 0.000 1.023 1282 K CA 0.259 56.527 56.287 -0.031 0.000 1.103 1282 K CB 0.578 33.087 32.500 0.015 0.000 0.848 1282 K HN 0.122 nan 8.250 nan 0.000 0.528 1283 L N 1.254 122.440 121.223 -0.061 0.000 2.725 1283 L HA 0.225 4.568 4.340 0.006 0.000 0.270 1283 L C -1.901 174.928 176.870 -0.067 0.000 1.422 1283 L CA -1.100 53.691 54.840 -0.082 0.000 0.770 1283 L CB 1.200 43.233 42.059 -0.044 0.000 1.081 1283 L HN -0.039 nan 8.230 nan 0.000 0.527 1284 P HA -0.187 nan 4.420 nan 0.000 0.216 1284 P C 1.476 178.746 177.300 -0.050 0.000 1.150 1284 P CA 1.331 64.400 63.100 -0.052 0.000 0.843 1284 P CB 0.395 32.064 31.700 -0.052 0.000 0.787 1285 L N -1.253 119.933 121.223 -0.061 0.000 2.376 1285 L HA -0.002 4.341 4.340 0.006 0.000 0.219 1285 L C 0.958 177.799 176.870 -0.048 0.000 1.133 1285 L CA 0.317 55.125 54.840 -0.053 0.000 0.816 1285 L CB -0.472 41.550 42.059 -0.061 0.000 0.933 1285 L HN -0.212 nan 8.230 nan 0.000 0.449 1286 V N 0.690 120.574 119.914 -0.050 0.000 2.432 1286 V HA 0.051 4.174 4.120 0.006 0.000 0.275 1286 V C 1.078 177.151 176.094 -0.034 0.000 1.043 1286 V CA -0.089 62.185 62.300 -0.044 0.000 0.925 1286 V CB 1.618 33.414 31.823 -0.046 0.000 0.985 1286 V HN 0.098 nan 8.190 nan 0.000 0.466 1287 V N 0.253 120.149 119.914 -0.029 0.000 3.431 1287 V HA 0.433 4.557 4.120 0.006 0.000 0.253 1287 V C 0.320 176.401 176.094 -0.021 0.000 1.184 1287 V CA 0.704 62.990 62.300 -0.024 0.000 1.104 1287 V CB 0.511 32.322 31.823 -0.020 0.000 0.799 1287 V HN 0.772 nan 8.190 nan 0.000 0.462 1288 D N -1.273 119.114 120.400 -0.022 0.000 2.623 1288 D HA 0.602 5.245 4.640 0.006 0.000 0.241 1288 D C -1.613 174.673 176.300 -0.023 0.000 1.241 1288 D CA -0.133 53.855 54.000 -0.020 0.000 0.788 1288 D CB 2.699 43.489 40.800 -0.016 0.000 1.413 1288 D HN -0.007 nan 8.370 nan 0.000 0.429 1289 V N 2.544 122.446 119.914 -0.021 0.000 2.623 1289 V HA 0.611 4.734 4.120 0.006 0.000 0.304 1289 V C -0.368 175.716 176.094 -0.017 0.000 1.054 1289 V CA -0.738 61.548 62.300 -0.022 0.000 0.882 1289 V CB 1.844 33.652 31.823 -0.026 0.000 1.002 1289 V HN 0.432 nan 8.190 nan 0.000 0.424 1290 R N 2.012 122.504 120.500 -0.014 0.000 2.670 1290 R HA 0.534 4.877 4.340 0.006 0.000 0.289 1290 R C -1.393 174.902 176.300 -0.008 0.000 0.965 1290 R CA -0.888 55.206 56.100 -0.009 0.000 0.899 1290 R CB 2.470 32.766 30.300 -0.007 0.000 1.173 1290 R HN 0.662 nan 8.270 nan 0.000 0.456 1291 D N 2.063 122.460 120.400 -0.006 0.000 2.396 1291 D HA 0.082 4.726 4.640 0.006 0.000 0.225 1291 D C -0.199 176.101 176.300 -0.001 0.000 1.121 1291 D CA -0.126 53.871 54.000 -0.004 0.000 0.853 1291 D CB 0.976 41.772 40.800 -0.007 0.000 1.043 1291 D HN 0.515 nan 8.370 nan 0.000 0.500 1292 E N 1.422 121.624 120.200 0.002 0.000 2.496 1292 E HA 0.121 4.475 4.350 0.006 0.000 0.200 1292 E C -0.155 176.450 176.600 0.008 0.000 1.016 1292 E CA -0.275 56.129 56.400 0.006 0.000 0.962 1292 E CB 0.549 30.253 29.700 0.007 0.000 1.071 1292 E HN 0.256 nan 8.360 nan 0.000 0.457 1293 S N 2.605 118.309 115.700 0.006 0.000 2.533 1293 S HA 0.127 4.601 4.470 0.006 0.000 0.282 1293 S C -0.000 174.611 174.600 0.017 0.000 1.304 1293 S CA -0.053 58.152 58.200 0.008 0.000 1.063 1293 S CB 0.506 63.707 63.200 0.001 0.000 0.881 1293 S HN 0.368 nan 8.310 nan 0.000 0.493 1294 D N 0.056 120.471 120.400 0.025 0.000 2.946 1294 D HA 0.148 4.792 4.640 0.006 0.000 0.337 1294 D C 0.424 176.770 176.300 0.076 0.000 1.332 1294 D CA -0.595 53.436 54.000 0.053 0.000 0.935 1294 D CB -0.118 40.713 40.800 0.050 0.000 1.440 1294 D HN 0.385 nan 8.370 nan 0.000 0.540 1295 H N -0.971 118.109 119.070 0.016 0.000 2.389 1295 H HA 0.088 4.647 4.556 0.005 0.000 0.299 1295 H C 1.901 177.241 175.328 0.020 0.000 1.081 1295 H CA 3.491 59.552 56.048 0.021 0.000 1.345 1295 H CB -0.126 29.649 29.762 0.022 0.000 1.393 1295 H HN 0.542 nan 8.280 nan 0.000 0.520 1296 E N 0.475 120.664 120.200 -0.017 0.000 2.268 1296 E HA -0.030 4.323 4.350 0.006 0.000 0.195 1296 E C 0.291 176.848 176.600 -0.073 0.000 0.995 1296 E CA 1.037 57.399 56.400 -0.065 0.000 0.836 1296 E CB -0.127 29.577 29.700 0.006 0.000 0.763 1296 E HN 0.602 nan 8.360 nan 0.000 0.491 1297 N N -0.077 118.594 118.700 -0.048 0.000 2.690 1297 N HA 0.191 4.935 4.740 0.006 0.000 0.255 1297 N C -2.464 173.032 175.510 -0.024 0.000 1.195 1297 N CA -1.204 51.828 53.050 -0.030 0.000 0.790 1297 N CB 2.151 40.634 38.487 -0.007 0.000 1.216 1297 N HN -0.039 nan 8.380 nan 0.000 0.528 1298 P HA -0.107 nan 4.420 nan 0.000 0.215 1298 P C 0.128 177.424 177.300 -0.006 0.000 1.163 1298 P CA 1.665 64.753 63.100 -0.020 0.000 0.894 1298 P CB 0.344 32.032 31.700 -0.021 0.000 0.791 1299 T N -0.146 114.407 114.554 -0.002 0.000 2.841 1299 T HA 0.502 4.855 4.350 0.006 0.000 0.285 1299 T C -0.378 174.329 174.700 0.012 0.000 0.991 1299 T CA -0.562 61.541 62.100 0.005 0.000 0.966 1299 T CB 1.654 70.530 68.868 0.014 0.000 0.962 1299 T HN -0.130 nan 8.240 nan 0.000 0.438 1300 R N 3.425 123.932 120.500 0.011 0.000 3.101 1300 R HA 0.319 4.662 4.340 0.006 0.000 0.242 1300 R C -1.850 174.457 176.300 0.013 0.000 1.831 1300 R CA -0.562 55.548 56.100 0.016 0.000 1.321 1300 R CB 0.198 30.505 30.300 0.012 0.000 1.512 1300 R HN 0.316 nan 8.270 nan 0.000 0.568 1301 L N 3.521 124.754 121.223 0.016 0.000 2.264 1301 L HA 0.439 4.783 4.340 0.006 0.000 0.289 1301 L C -0.389 176.483 176.870 0.003 0.000 1.044 1301 L CA -0.561 54.282 54.840 0.006 0.000 0.807 1301 L CB 1.841 43.903 42.059 0.004 0.000 1.192 1301 L HN 0.186 nan 8.230 nan 0.000 0.425 1302 V N 5.655 125.566 119.914 -0.004 0.000 2.357 1302 V HA 0.445 4.568 4.120 0.006 0.000 0.284 1302 V C 0.173 176.254 176.094 -0.021 0.000 1.018 1302 V CA -0.516 61.780 62.300 -0.007 0.000 0.841 1302 V CB 1.591 33.413 31.823 -0.001 0.000 0.991 1302 V HN 0.483 nan 8.190 nan 0.000 0.437 1303 I N 5.534 126.083 120.570 -0.035 0.000 2.315 1303 I HA 0.360 4.534 4.170 0.006 0.000 0.291 1303 I C -0.310 175.783 176.117 -0.040 0.000 1.006 1303 I CA -0.570 60.700 61.300 -0.049 0.000 1.265 1303 I CB 1.624 39.573 38.000 -0.084 0.000 1.387 1303 I HN 0.282 nan 8.210 nan 0.000 0.475 1304 V N 7.548 127.442 119.914 -0.032 0.000 2.370 1304 V HA 0.389 4.513 4.120 0.006 0.000 0.279 1304 V C 0.291 176.367 176.094 -0.029 0.000 1.029 1304 V CA -0.556 61.729 62.300 -0.025 0.000 0.870 1304 V CB 1.089 32.902 31.823 -0.018 0.000 0.984 1304 V HN 0.502 nan 8.190 nan 0.000 0.451 1305 L N 4.401 125.608 121.223 -0.028 0.000 2.387 1305 L HA 0.551 4.894 4.340 0.006 0.000 0.266 1305 L C 1.713 178.569 176.870 -0.023 0.000 1.059 1305 L CA -0.813 54.009 54.840 -0.030 0.000 0.801 1305 L CB 0.876 42.916 42.059 -0.031 0.000 1.223 1305 L HN 0.556 nan 8.230 nan 0.000 0.456 1306 R N 0.353 120.838 120.500 -0.024 0.000 2.103 1306 R HA -0.120 4.224 4.340 0.006 0.000 0.242 1306 R C 0.548 176.839 176.300 -0.015 0.000 1.142 1306 R CA 1.719 57.807 56.100 -0.020 0.000 0.960 1306 R CB -0.198 30.089 30.300 -0.021 0.000 0.858 1306 R HN 0.845 nan 8.270 nan 0.000 0.439 1307 S N -0.948 114.744 115.700 -0.014 0.000 2.688 1307 S HA 0.104 4.577 4.470 0.006 0.000 0.275 1307 S C -0.122 174.474 174.600 -0.007 0.000 1.175 1307 S CA -0.744 57.450 58.200 -0.010 0.000 0.818 1307 S CB 1.018 64.213 63.200 -0.009 0.000 1.157 1307 S HN 0.238 nan 8.310 nan 0.000 0.482 1308 N N 0.227 118.925 118.700 -0.003 0.000 2.461 1308 N HA 0.057 4.800 4.740 0.006 0.000 0.188 1308 N C 0.964 176.475 175.510 0.001 0.000 1.134 1308 N CA 0.019 53.069 53.050 0.000 0.000 0.878 1308 N CB -0.475 38.014 38.487 0.003 0.000 0.972 1308 N HN 0.580 nan 8.380 nan 0.000 0.456 1309 R N -0.050 120.449 120.500 -0.002 0.000 2.173 1309 R HA 0.272 4.616 4.340 0.006 0.000 0.208 1309 R C 0.464 176.763 176.300 -0.003 0.000 1.035 1309 R CA 0.047 56.146 56.100 -0.002 0.000 1.004 1309 R CB 0.168 30.466 30.300 -0.004 0.000 0.917 1309 R HN 0.249 nan 8.270 nan 0.000 0.462 1310 I N 2.221 122.786 120.570 -0.007 0.000 2.692 1310 I HA -0.100 4.074 4.170 0.006 0.000 0.284 1310 I C 0.282 176.395 176.117 -0.006 0.000 1.159 1310 I CA -0.022 61.271 61.300 -0.012 0.000 1.423 1310 I CB 0.320 38.307 38.000 -0.021 0.000 1.380 1310 I HN -0.062 nan 8.210 nan 0.000 0.580 1311 D N 5.302 125.698 120.400 -0.007 0.000 2.359 1311 D HA 0.239 4.882 4.640 0.006 0.000 0.250 1311 D C 0.773 177.070 176.300 -0.004 0.000 1.264 1311 D CA -0.025 53.977 54.000 0.003 0.000 0.911 1311 D CB 1.260 42.063 40.800 0.005 0.000 1.056 1311 D HN 0.580 nan 8.370 nan 0.000 0.499 1312 A N 4.724 127.546 122.820 0.004 0.000 1.930 1312 A HA -0.150 4.174 4.320 0.006 0.000 0.217 1312 A C 1.937 179.502 177.584 -0.032 0.000 1.175 1312 A CA 0.874 52.897 52.037 -0.023 0.000 0.627 1312 A CB -0.283 18.719 19.000 0.003 0.000 0.815 1312 A HN 0.599 nan 8.150 nan 0.000 0.443 1313 E N 0.362 120.588 120.200 0.044 0.000 2.097 1313 E HA -0.228 4.125 4.350 0.006 0.000 0.196 1313 E C 2.248 178.867 176.600 0.031 0.000 1.000 1313 E CA 1.416 57.866 56.400 0.085 0.000 0.804 1313 E CB -0.705 29.070 29.700 0.125 0.000 0.740 1313 E HN 0.609 nan 8.360 nan 0.000 0.454 1314 A N 1.138 123.968 122.820 0.016 0.000 1.930 1314 A HA -0.091 4.233 4.320 0.006 0.000 0.217 1314 A C 2.636 180.211 177.584 -0.015 0.000 1.175 1314 A CA 1.215 53.259 52.037 0.012 0.000 0.627 1314 A CB -0.508 18.496 19.000 0.005 0.000 0.815 1314 A HN 0.131 nan 8.150 nan 0.000 0.443 1315 V N -0.305 119.574 119.914 -0.059 0.000 2.307 1315 V HA -0.251 3.872 4.120 0.006 0.000 0.245 1315 V C 2.647 178.647 176.094 -0.156 0.000 1.045 1315 V CA 1.890 64.138 62.300 -0.087 0.000 1.024 1315 V CB -0.623 31.135 31.823 -0.109 0.000 0.651 1315 V HN 0.477 nan 8.190 nan 0.000 0.449 1316 M N -0.120 119.307 119.600 -0.288 0.000 2.117 1316 M HA -0.139 4.344 4.480 0.006 0.000 0.262 1316 M C 2.527 178.505 176.300 -0.536 0.000 1.065 1316 M CA 1.968 56.908 55.300 -0.600 0.000 1.114 1316 M CB -1.524 30.580 32.600 -0.827 0.000 1.361 1316 M HN 0.469 nan 8.290 nan 0.000 0.408 1317 S N -0.837 114.791 115.700 -0.120 0.000 2.370 1317 S HA -0.236 4.238 4.470 0.006 0.000 0.226 1317 S C 1.966 176.608 174.600 0.070 0.000 1.033 1317 S CA 1.983 60.247 58.200 0.107 0.000 1.011 1317 S CB -0.369 62.913 63.200 0.136 0.000 0.852 1317 S HN 0.652 nan 8.310 nan 0.000 0.457 1318 H N 0.636 119.669 119.070 -0.062 0.000 2.387 1318 H HA 0.104 4.663 4.556 0.006 0.000 0.299 1318 H C 1.916 177.198 175.328 -0.077 0.000 1.090 1318 H CA 1.897 57.914 56.048 -0.051 0.000 1.332 1318 H CB -0.316 29.410 29.762 -0.060 0.000 1.386 1318 H HN 0.375 nan 8.280 nan 0.000 0.516 1319 L N -0.799 120.302 121.223 -0.203 0.000 2.056 1319 L HA -0.119 4.224 4.340 0.006 0.000 0.207 1319 L C 2.106 178.857 176.870 -0.199 0.000 1.078 1319 L CA 1.089 55.766 54.840 -0.272 0.000 0.749 1319 L CB -0.551 41.324 42.059 -0.306 0.000 0.901 1319 L HN 0.324 nan 8.230 nan 0.000 0.433 1320 F N 0.188 120.084 119.950 -0.089 0.000 2.154 1320 F HA -0.288 4.242 4.527 0.005 0.000 0.301 1320 F C 2.581 178.327 175.800 -0.090 0.000 1.087 1320 F CA 0.690 58.653 58.000 -0.062 0.000 1.274 1320 F CB -0.332 38.657 39.000 -0.019 0.000 1.009 1320 F HN 0.093 nan 8.300 nan 0.000 0.485 1321 A N -0.509 122.335 122.820 0.039 0.000 2.067 1321 A HA -0.092 4.231 4.320 0.006 0.000 0.217 1321 A C 1.883 179.399 177.584 -0.113 0.000 1.156 1321 A CA 1.726 53.739 52.037 -0.040 0.000 0.683 1321 A CB -0.819 18.144 19.000 -0.061 0.000 0.808 1321 A HN 0.394 nan 8.150 nan 0.000 0.455 1322 T N -4.204 110.235 114.554 -0.191 0.000 3.043 1322 T HA 0.301 4.654 4.350 0.006 0.000 0.272 1322 T C 0.531 175.162 174.700 -0.114 0.000 0.990 1322 T CA 0.715 62.700 62.100 -0.192 0.000 0.897 1322 T CB -0.196 68.463 68.868 -0.349 0.000 1.111 1322 T HN 0.580 nan 8.240 nan 0.000 0.529 1323 T N -1.605 112.901 114.554 -0.080 0.000 2.804 1323 T HA 0.483 4.836 4.350 0.006 0.000 0.290 1323 T C -0.641 174.053 174.700 -0.011 0.000 1.099 1323 T CA -0.559 61.513 62.100 -0.047 0.000 1.011 1323 T CB 1.511 70.348 68.868 -0.052 0.000 1.291 1323 T HN -0.236 nan 8.240 nan 0.000 0.523 1324 D N 0.127 120.522 120.400 -0.007 0.000 2.378 1324 D HA 0.129 4.773 4.640 0.006 0.000 0.227 1324 D C 1.827 178.164 176.300 0.061 0.000 1.012 1324 D CA 0.279 54.281 54.000 0.002 0.000 0.905 1324 D CB -0.304 40.489 40.800 -0.011 0.000 0.895 1324 D HN 0.436 nan 8.370 nan 0.000 0.532 1325 L N 0.074 121.361 121.223 0.105 0.000 2.265 1325 L HA -0.069 4.274 4.340 0.006 0.000 0.215 1325 L C 1.121 178.199 176.870 0.347 0.000 1.117 1325 L CA 0.909 55.886 54.840 0.228 0.000 0.782 1325 L CB 0.002 42.166 42.059 0.175 0.000 0.914 1325 L HN -0.015 nan 8.230 nan 0.000 0.441 1326 E N -0.636 119.714 120.200 0.249 0.000 2.199 1326 E HA 0.403 4.756 4.350 0.006 0.000 0.265 1326 E C -1.136 175.467 176.600 0.005 0.000 0.882 1326 E CA -0.297 56.154 56.400 0.085 0.000 0.759 1326 E CB 1.580 31.299 29.700 0.032 0.000 1.148 1326 E HN -0.115 nan 8.360 nan 0.000 0.412 1327 S N 1.722 117.400 115.700 -0.037 0.000 2.599 1327 S HA 0.534 5.007 4.470 0.006 0.000 0.287 1327 S C -1.265 173.130 174.600 -0.342 0.000 1.105 1327 S CA -0.703 57.368 58.200 -0.215 0.000 0.899 1327 S CB 1.986 65.007 63.200 -0.298 0.000 1.100 1327 S HN 0.426 nan 8.310 nan 0.000 0.482 1328 S N 0.600 115.967 115.700 -0.556 0.000 2.536 1328 S HA 0.790 5.264 4.470 0.006 0.000 0.298 1328 S C -2.085 172.039 174.600 -0.792 0.000 1.083 1328 S CA -0.445 57.470 58.200 -0.476 0.000 0.995 1328 S CB 0.484 63.537 63.200 -0.244 0.000 1.058 1328 S HN 0.540 nan 8.310 nan 0.000 0.488 1329 Y N 1.804 121.876 120.300 -0.379 0.000 2.354 1329 Y HA 0.454 5.008 4.550 0.006 0.000 0.330 1329 Y C 0.273 176.065 175.900 -0.181 0.000 1.011 1329 Y CA -0.837 57.046 58.100 -0.362 0.000 1.099 1329 Y CB 1.226 39.241 38.460 -0.740 0.000 1.179 1329 Y HN 0.631 nan 8.280 nan 0.000 0.442 1330 R N 2.164 122.697 120.500 0.055 0.000 2.543 1330 R HA 0.611 4.954 4.340 0.006 0.000 0.277 1330 R C -1.441 174.954 176.300 0.158 0.000 1.074 1330 R CA -0.189 55.961 56.100 0.085 0.000 1.076 1330 R CB 0.592 30.923 30.300 0.051 0.000 0.993 1330 R HN 0.556 nan 8.270 nan 0.000 0.459 1331 V N 4.532 124.538 119.914 0.154 0.000 2.588 1331 V HA 0.348 4.471 4.120 0.006 0.000 0.304 1331 V C -0.484 175.668 176.094 0.096 0.000 1.042 1331 V CA -0.772 61.621 62.300 0.156 0.000 0.877 1331 V CB 1.741 33.674 31.823 0.183 0.000 0.996 1331 V HN 0.914 nan 8.190 nan 0.000 0.425 1332 N N 4.363 123.109 118.700 0.077 0.000 2.594 1332 N HA 0.328 5.071 4.740 0.006 0.000 0.280 1332 N C -0.957 174.574 175.510 0.034 0.000 1.156 1332 N CA -0.554 52.525 53.050 0.049 0.000 0.831 1332 N CB 1.237 39.748 38.487 0.041 0.000 1.379 1332 N HN 0.633 nan 8.380 nan 0.000 0.536 1333 L N 2.418 123.655 121.223 0.023 0.000 2.416 1333 L HA 0.187 4.531 4.340 0.006 0.000 0.243 1333 L C 0.176 177.039 176.870 -0.013 0.000 1.373 1333 L CA -0.153 54.689 54.840 0.003 0.000 1.227 1333 L CB -1.002 41.053 42.059 -0.007 0.000 1.428 1333 L HN 0.382 nan 8.230 nan 0.000 0.425 1334 N N 3.896 122.588 118.700 -0.012 0.000 2.400 1334 N HA 0.705 5.448 4.740 0.006 0.000 0.288 1334 N C -0.638 174.848 175.510 -0.041 0.000 1.024 1334 N CA -0.335 52.700 53.050 -0.024 0.000 0.894 1334 N CB 1.216 39.694 38.487 -0.015 0.000 1.173 1334 N HN 0.390 nan 8.380 nan 0.000 0.487 1335 M N 0.758 120.321 119.600 -0.060 0.000 2.880 1335 M HA 0.480 4.964 4.480 0.006 0.000 0.269 1335 M C -1.554 174.676 176.300 -0.117 0.000 1.248 1335 M CA -0.887 54.362 55.300 -0.084 0.000 0.821 1335 M CB 1.315 33.862 32.600 -0.088 0.000 1.650 1335 M HN -0.015 nan 8.290 nan 0.000 0.479 1336 I N 2.299 122.774 120.570 -0.158 0.000 2.352 1336 I HA 0.434 4.607 4.170 0.006 0.000 0.290 1336 I C 0.942 176.837 176.117 -0.371 0.000 1.036 1336 I CA 0.271 61.444 61.300 -0.213 0.000 1.336 1336 I CB 0.283 38.186 38.000 -0.161 0.000 1.407 1336 I HN 0.892 nan 8.210 nan 0.000 0.497 1337 G N 4.275 112.918 108.800 -0.262 0.000 2.588 1337 G HA2 0.120 4.083 3.960 0.006 0.000 0.281 1337 G HA3 0.120 4.083 3.960 0.006 0.000 0.281 1337 G C 0.758 175.494 174.900 -0.272 0.000 1.236 1337 G CA -0.330 44.621 45.100 -0.248 0.000 0.969 1337 G HN 0.771 nan 8.290 nan 0.000 0.504 1338 E N -0.477 119.635 120.200 -0.147 0.000 2.160 1338 E HA -0.200 4.153 4.350 0.006 0.000 0.195 1338 E C 1.572 178.171 176.600 -0.003 0.000 0.991 1338 E CA 1.563 57.947 56.400 -0.026 0.000 0.810 1338 E CB 0.022 29.711 29.700 -0.019 0.000 0.742 1338 E HN 0.550 nan 8.360 nan 0.000 0.466 1339 D N -1.154 119.223 120.400 -0.038 0.000 2.363 1339 D HA -0.004 4.639 4.640 0.006 0.000 0.226 1339 D C 1.286 177.570 176.300 -0.026 0.000 1.020 1339 D CA 0.868 54.851 54.000 -0.028 0.000 0.892 1339 D CB -0.014 40.764 40.800 -0.037 0.000 0.900 1339 D HN 0.323 nan 8.370 nan 0.000 0.531 1340 G N 0.179 108.964 108.800 -0.025 0.000 2.179 1340 G HA2 -0.320 3.643 3.960 0.006 0.000 0.260 1340 G HA3 -0.320 3.643 3.960 0.006 0.000 0.260 1340 G C 0.190 175.052 174.900 -0.064 0.000 0.977 1340 G CA 0.020 45.109 45.100 -0.018 0.000 0.641 1340 G HN 0.490 nan 8.290 nan 0.000 0.533 1341 R N 0.694 121.145 120.500 -0.082 0.000 2.474 1341 R HA 0.521 4.865 4.340 0.006 0.000 0.295 1341 R C -2.603 173.637 176.300 -0.101 0.000 0.980 1341 R CA -2.005 54.038 56.100 -0.094 0.000 0.934 1341 R CB 1.329 31.580 30.300 -0.083 0.000 1.101 1341 R HN 0.071 nan 8.270 nan 0.000 0.469 1342 P HA 0.015 nan 4.420 nan 0.000 0.271 1342 P C -1.290 175.968 177.300 -0.071 0.000 1.218 1342 P CA -0.218 62.829 63.100 -0.089 0.000 0.780 1342 P CB 0.740 32.389 31.700 -0.085 0.000 0.901 1343 Q N 0.932 120.695 119.800 -0.062 0.000 2.468 1343 Q HA 0.314 4.657 4.340 0.006 0.000 0.263 1343 Q C -1.818 174.159 176.000 -0.038 0.000 0.979 1343 Q CA -0.671 55.105 55.803 -0.046 0.000 0.932 1343 Q CB 1.632 30.342 28.738 -0.047 0.000 1.462 1343 Q HN 0.096 nan 8.270 nan 0.000 0.403 1344 V N 3.716 123.616 119.914 -0.024 0.000 2.530 1344 V HA 0.384 4.507 4.120 0.006 0.000 0.282 1344 V C -0.362 175.721 176.094 -0.019 0.000 1.048 1344 V CA 0.208 62.498 62.300 -0.017 0.000 0.997 1344 V CB 1.045 32.866 31.823 -0.004 0.000 0.987 1344 V HN 0.628 nan 8.190 nan 0.000 0.477 1345 K N 2.754 123.141 120.400 -0.023 0.000 2.426 1345 K HA 0.548 4.872 4.320 0.006 0.000 0.251 1345 K C -0.269 176.317 176.600 -0.023 0.000 0.941 1345 K CA -0.578 55.695 56.287 -0.024 0.000 0.808 1345 K CB 2.163 34.642 32.500 -0.034 0.000 1.265 1345 K HN 0.723 nan 8.250 nan 0.000 0.432 1346 S N 1.538 117.227 115.700 -0.019 0.000 2.584 1346 S HA 0.125 4.598 4.470 0.006 0.000 0.270 1346 S C 1.510 176.089 174.600 -0.036 0.000 1.346 1346 S CA -0.667 57.522 58.200 -0.020 0.000 1.018 1346 S CB 0.353 63.546 63.200 -0.012 0.000 0.899 1346 S HN 0.497 nan 8.310 nan 0.000 0.542 1347 I N 1.191 121.733 120.570 -0.045 0.000 2.151 1347 I HA -0.194 3.980 4.170 0.006 0.000 0.243 1347 I C 2.789 178.870 176.117 -0.061 0.000 1.080 1347 I CA 1.889 63.142 61.300 -0.079 0.000 1.339 1347 I CB -1.369 36.582 38.000 -0.081 0.000 1.039 1347 I HN 0.869 nan 8.210 nan 0.000 0.409 1348 R N 0.727 121.207 120.500 -0.032 0.000 2.094 1348 R HA -0.220 4.124 4.340 0.006 0.000 0.239 1348 R C 2.564 178.855 176.300 -0.014 0.000 1.137 1348 R CA 1.839 57.929 56.100 -0.017 0.000 0.943 1348 R CB -0.294 30.004 30.300 -0.004 0.000 0.850 1348 R HN 0.227 nan 8.270 nan 0.000 0.433 1349 R N 0.488 120.979 120.500 -0.015 0.000 2.092 1349 R HA -0.104 4.239 4.340 0.006 0.000 0.231 1349 R C 2.294 178.589 176.300 -0.008 0.000 1.119 1349 R CA 1.623 57.717 56.100 -0.011 0.000 0.970 1349 R CB -0.285 30.006 30.300 -0.015 0.000 0.864 1349 R HN 0.318 nan 8.270 nan 0.000 0.440 1350 I N 1.002 121.558 120.570 -0.024 0.000 2.127 1350 I HA -0.351 3.822 4.170 0.006 0.000 0.241 1350 I C 2.274 178.407 176.117 0.026 0.000 1.075 1350 I CA 1.423 62.711 61.300 -0.021 0.000 1.334 1350 I CB -0.253 37.705 38.000 -0.071 0.000 1.040 1350 I HN 0.231 nan 8.210 nan 0.000 0.405 1351 L N -0.062 121.162 121.223 0.001 0.000 2.093 1351 L HA -0.197 4.147 4.340 0.006 0.000 0.208 1351 L C 2.533 179.472 176.870 0.114 0.000 1.085 1351 L CA 1.125 55.993 54.840 0.047 0.000 0.755 1351 L CB -0.468 41.574 42.059 -0.028 0.000 0.904 1351 L HN 0.274 nan 8.230 nan 0.000 0.435 1352 L N -0.399 120.856 121.223 0.055 0.000 2.046 1352 L HA -0.232 4.111 4.340 0.006 0.000 0.208 1352 L C 2.605 179.502 176.870 0.044 0.000 1.077 1352 L CA 1.361 56.226 54.840 0.042 0.000 0.747 1352 L CB -0.393 41.675 42.059 0.015 0.000 0.896 1352 L HN 0.320 nan 8.230 nan 0.000 0.432 1353 E N -0.763 119.465 120.200 0.046 0.000 2.072 1353 E HA -0.265 4.089 4.350 0.006 0.000 0.191 1353 E C 2.023 178.653 176.600 0.051 0.000 0.985 1353 E CA 1.163 57.579 56.400 0.027 0.000 0.801 1353 E CB -0.141 29.566 29.700 0.011 0.000 0.750 1353 E HN 0.463 nan 8.360 nan 0.000 0.452 1354 W N 1.108 122.369 121.300 -0.065 0.000 2.358 1354 W HA -0.168 4.496 4.660 0.006 0.000 0.303 1354 W C 1.800 178.286 176.519 -0.056 0.000 1.208 1354 W CA 1.489 58.796 57.345 -0.063 0.000 1.274 1354 W CB -0.250 29.165 29.460 -0.074 0.000 1.138 1354 W HN 0.022 nan 8.180 nan 0.000 0.515 1355 I N 0.753 121.392 120.570 0.114 0.000 2.194 1355 I HA -0.357 3.816 4.170 0.006 0.000 0.246 1355 I C 2.417 178.411 176.117 -0.204 0.000 1.093 1355 I CA 1.675 62.945 61.300 -0.051 0.000 1.355 1355 I CB -0.549 37.482 38.000 0.053 0.000 1.046 1355 I HN -0.050 nan 8.210 nan 0.000 0.413 1356 E N 0.505 120.621 120.200 -0.140 0.000 2.110 1356 E HA -0.174 4.179 4.350 0.006 0.000 0.193 1356 E C 2.269 178.744 176.600 -0.209 0.000 0.988 1356 E CA 1.285 57.601 56.400 -0.139 0.000 0.804 1356 E CB -0.308 29.342 29.700 -0.083 0.000 0.745 1356 E HN 0.546 nan 8.360 nan 0.000 0.458 1357 I N 0.619 121.014 120.570 -0.292 0.000 2.226 1357 I HA -0.262 3.912 4.170 0.006 0.000 0.245 1357 I C 2.606 178.452 176.117 -0.451 0.000 1.100 1357 I CA 0.987 62.081 61.300 -0.344 0.000 1.374 1357 I CB -0.138 37.637 38.000 -0.375 0.000 1.057 1357 I HN -0.004 nan 8.210 nan 0.000 0.413 1358 R N 1.535 121.607 120.500 -0.713 0.000 2.092 1358 R HA -0.137 4.206 4.340 0.006 0.000 0.231 1358 R C 2.073 178.169 176.300 -0.341 0.000 1.119 1358 R CA 1.544 57.243 56.100 -0.667 0.000 0.970 1358 R CB -0.220 29.453 30.300 -1.045 0.000 0.864 1358 R HN 0.210 nan 8.270 nan 0.000 0.440 1359 K N 0.231 120.471 120.400 -0.266 0.000 2.032 1359 K HA -0.156 4.167 4.320 0.006 0.000 0.209 1359 K C 2.012 178.532 176.600 -0.132 0.000 1.048 1359 K CA 1.979 58.172 56.287 -0.157 0.000 0.927 1359 K CB -0.102 32.327 32.500 -0.119 0.000 0.712 1359 K HN 0.169 nan 8.250 nan 0.000 0.441 1360 K N 0.091 120.404 120.400 -0.145 0.000 2.057 1360 K HA -0.101 4.222 4.320 0.006 0.000 0.207 1360 K C 2.242 178.776 176.600 -0.110 0.000 1.049 1360 K CA 1.681 57.900 56.287 -0.112 0.000 0.931 1360 K CB -0.220 32.214 32.500 -0.110 0.000 0.714 1360 K HN 0.152 nan 8.250 nan 0.000 0.440 1361 T N 1.273 115.737 114.554 -0.149 0.000 2.708 1361 T HA -0.110 4.243 4.350 0.006 0.000 0.266 1361 T C 2.072 176.717 174.700 -0.091 0.000 1.037 1361 T CA 1.282 63.304 62.100 -0.130 0.000 1.146 1361 T CB -0.205 68.560 68.868 -0.171 0.000 0.865 1361 T HN -0.049 nan 8.240 nan 0.000 0.435 1362 V N 1.467 121.325 119.914 -0.093 0.000 2.427 1362 V HA -0.165 3.959 4.120 0.006 0.000 0.248 1362 V C 2.778 178.859 176.094 -0.022 0.000 1.051 1362 V CA 1.848 64.119 62.300 -0.048 0.000 1.048 1362 V CB -1.115 30.676 31.823 -0.053 0.000 0.666 1362 V HN 0.525 nan 8.190 nan 0.000 0.456 1363 T N -0.182 114.350 114.554 -0.037 0.000 2.746 1363 T HA -0.203 4.150 4.350 0.006 0.000 0.267 1363 T C 2.080 176.777 174.700 -0.004 0.000 1.039 1363 T CA 1.602 63.690 62.100 -0.020 0.000 1.142 1363 T CB -0.222 68.627 68.868 -0.032 0.000 0.866 1363 T HN 0.443 nan 8.240 nan 0.000 0.444 1364 R N 0.426 120.916 120.500 -0.016 0.000 2.092 1364 R HA 0.072 4.416 4.340 0.006 0.000 0.231 1364 R C 2.694 179.001 176.300 0.013 0.000 1.119 1364 R CA 0.904 57.002 56.100 -0.005 0.000 0.970 1364 R CB -0.179 30.107 30.300 -0.024 0.000 0.864 1364 R HN 0.247 nan 8.270 nan 0.000 0.440 1365 R N 1.092 121.593 120.500 0.002 0.000 2.075 1365 R HA -0.079 4.265 4.340 0.006 0.000 0.232 1365 R C 2.141 178.510 176.300 0.114 0.000 1.126 1365 R CA 1.164 57.274 56.100 0.016 0.000 0.963 1365 R CB -0.174 30.151 30.300 0.041 0.000 0.858 1365 R HN 0.188 nan 8.270 nan 0.000 0.435 1366 L N 0.521 121.811 121.223 0.113 0.000 2.046 1366 L HA -0.202 4.142 4.340 0.006 0.000 0.208 1366 L C 2.715 179.649 176.870 0.107 0.000 1.077 1366 L CA 1.349 56.269 54.840 0.133 0.000 0.747 1366 L CB -0.470 41.632 42.059 0.071 0.000 0.896 1366 L HN 0.239 nan 8.230 nan 0.000 0.432 1367 Q N -0.380 119.460 119.800 0.067 0.000 2.084 1367 Q HA -0.267 4.076 4.340 0.006 0.000 0.202 1367 Q C 2.067 178.092 176.000 0.042 0.000 0.978 1367 Q CA 1.814 57.643 55.803 0.043 0.000 0.844 1367 Q CB -0.574 28.181 28.738 0.028 0.000 0.898 1367 Q HN 0.518 nan 8.270 nan 0.000 0.426 1368 Y N -0.266 119.982 120.300 -0.087 0.000 2.165 1368 Y HA -0.281 4.272 4.550 0.006 0.000 0.286 1368 Y C 2.057 177.864 175.900 -0.155 0.000 1.155 1368 Y CA 2.317 60.324 58.100 -0.155 0.000 1.164 1368 Y CB -0.231 38.077 38.460 -0.252 0.000 0.978 1368 Y HN 0.327 nan 8.280 nan 0.000 0.513 1369 H N -0.739 118.388 119.070 0.094 0.000 2.428 1369 H HA -0.109 4.450 4.556 0.006 0.000 0.296 1369 H C 2.205 177.493 175.328 -0.067 0.000 1.062 1369 H CA 1.437 57.484 56.048 -0.003 0.000 1.350 1369 H CB -0.429 29.382 29.762 0.081 0.000 1.403 1369 H HN 0.413 nan 8.280 nan 0.000 0.533 1370 L N 1.592 122.855 121.223 0.067 0.000 2.017 1370 L HA -0.183 4.161 4.340 0.006 0.000 0.208 1370 L C 2.171 179.018 176.870 -0.039 0.000 1.073 1370 L CA 1.864 56.712 54.840 0.014 0.000 0.745 1370 L CB -0.777 41.289 42.059 0.012 0.000 0.894 1370 L HN 0.136 nan 8.230 nan 0.000 0.432 1371 N N -0.435 118.214 118.700 -0.084 0.000 2.094 1371 N HA -0.239 4.504 4.740 0.006 0.000 0.191 1371 N C 2.005 177.434 175.510 -0.135 0.000 1.023 1371 N CA 1.836 54.816 53.050 -0.117 0.000 0.857 1371 N CB -0.086 38.309 38.487 -0.153 0.000 1.013 1371 N HN 0.334 nan 8.380 nan 0.000 0.426 1372 R N -0.240 120.146 120.500 -0.190 0.000 2.075 1372 R HA 0.047 4.390 4.340 0.006 0.000 0.232 1372 R C 2.304 178.564 176.300 -0.066 0.000 1.126 1372 R CA 1.300 57.306 56.100 -0.157 0.000 0.963 1372 R CB -0.357 29.820 30.300 -0.205 0.000 0.858 1372 R HN 0.327 nan 8.270 nan 0.000 0.435 1373 I N 1.057 121.605 120.570 -0.037 0.000 2.163 1373 I HA -0.303 3.870 4.170 0.006 0.000 0.243 1373 I C 2.099 178.205 176.117 -0.018 0.000 1.085 1373 I CA 1.586 62.874 61.300 -0.020 0.000 1.347 1373 I CB -0.257 37.737 38.000 -0.010 0.000 1.044 1373 I HN 0.237 nan 8.210 nan 0.000 0.408 1374 E N 0.633 120.819 120.200 -0.024 0.000 2.110 1374 E HA -0.230 4.123 4.350 0.006 0.000 0.193 1374 E C 2.183 178.784 176.600 0.002 0.000 0.988 1374 E CA 1.088 57.479 56.400 -0.014 0.000 0.804 1374 E CB 0.001 29.684 29.700 -0.029 0.000 0.745 1374 E HN 0.424 nan 8.360 nan 0.000 0.458 1375 K N 0.406 120.795 120.400 -0.018 0.000 2.057 1375 K HA -0.166 4.158 4.320 0.006 0.000 0.207 1375 K C 2.256 178.884 176.600 0.047 0.000 1.049 1375 K CA 1.055 57.346 56.287 0.007 0.000 0.931 1375 K CB -0.096 32.387 32.500 -0.029 0.000 0.714 1375 K HN -0.104 nan 8.250 nan 0.000 0.440 1376 R N 1.644 122.151 120.500 0.013 0.000 2.075 1376 R HA -0.026 4.317 4.340 0.006 0.000 0.232 1376 R C 2.011 178.319 176.300 0.013 0.000 1.126 1376 R CA 1.141 57.245 56.100 0.007 0.000 0.963 1376 R CB -0.591 29.702 30.300 -0.012 0.000 0.858 1376 R HN 0.118 nan 8.270 nan 0.000 0.435 1377 L N -0.555 120.679 121.223 0.020 0.000 2.083 1377 L HA -0.183 4.160 4.340 0.006 0.000 0.209 1377 L C 2.355 179.254 176.870 0.048 0.000 1.083 1377 L CA 1.783 56.635 54.840 0.020 0.000 0.752 1377 L CB -0.574 41.496 42.059 0.019 0.000 0.899 1377 L HN 0.382 nan 8.230 nan 0.000 0.433 1378 H N 0.072 119.130 119.070 -0.021 0.000 2.353 1378 H HA -0.155 4.404 4.556 0.006 0.000 0.300 1378 H C 2.125 177.445 175.328 -0.013 0.000 1.090 1378 H CA 1.624 57.663 56.048 -0.015 0.000 1.327 1378 H CB 0.201 29.952 29.762 -0.017 0.000 1.383 1378 H HN 0.065 nan 8.280 nan 0.000 0.508 1379 I N 0.324 120.871 120.570 -0.038 0.000 2.179 1379 I HA -0.233 3.940 4.170 0.006 0.000 0.242 1379 I C 2.440 178.500 176.117 -0.096 0.000 1.088 1379 I CA 1.029 62.274 61.300 -0.092 0.000 1.357 1379 I CB -1.181 36.802 38.000 -0.028 0.000 1.051 1379 I HN 0.351 nan 8.210 nan 0.000 0.409 1380 L N 0.713 121.902 121.223 -0.058 0.000 2.127 1380 L HA -0.188 4.155 4.340 0.006 0.000 0.211 1380 L C 2.767 179.605 176.870 -0.054 0.000 1.089 1380 L CA 1.264 56.074 54.840 -0.049 0.000 0.757 1380 L CB -0.666 41.371 42.059 -0.037 0.000 0.899 1380 L HN 0.199 nan 8.230 nan 0.000 0.434 1381 A N 0.204 122.982 122.820 -0.070 0.000 1.930 1381 A HA -0.097 4.226 4.320 0.006 0.000 0.217 1381 A C 2.408 179.948 177.584 -0.073 0.000 1.175 1381 A CA 1.629 53.630 52.037 -0.059 0.000 0.627 1381 A CB -1.093 17.872 19.000 -0.059 0.000 0.815 1381 A HN 0.435 nan 8.150 nan 0.000 0.443 1382 G N -0.185 108.533 108.800 -0.137 0.000 2.402 1382 G HA2 -0.129 3.835 3.960 0.006 0.000 0.216 1382 G HA3 -0.129 3.835 3.960 0.006 0.000 0.216 1382 G C 1.523 176.377 174.900 -0.077 0.000 1.162 1382 G CA 0.935 45.962 45.100 -0.121 0.000 0.777 1382 G HN 0.422 nan 8.290 nan 0.000 0.539 1383 L N -0.088 121.097 121.223 -0.063 0.000 2.131 1383 L HA 0.028 4.371 4.340 0.006 0.000 0.210 1383 L C 2.778 179.664 176.870 0.027 0.000 1.092 1383 L CA 0.365 55.188 54.840 -0.030 0.000 0.759 1383 L CB -0.296 41.746 42.059 -0.029 0.000 0.903 1383 L HN 0.189 nan 8.230 nan 0.000 0.435 1384 L N -0.220 121.019 121.223 0.027 0.000 2.027 1384 L HA -0.214 4.129 4.340 0.006 0.000 0.206 1384 L C 2.511 179.461 176.870 0.132 0.000 1.074 1384 L CA 1.405 56.295 54.840 0.084 0.000 0.745 1384 L CB -0.092 41.995 42.059 0.047 0.000 0.898 1384 L HN 0.199 nan 8.230 nan 0.000 0.433 1385 I N -0.224 120.395 120.570 0.083 0.000 2.208 1385 I HA -0.325 3.848 4.170 0.006 0.000 0.245 1385 I C 2.727 178.910 176.117 0.111 0.000 1.097 1385 I CA 1.304 62.676 61.300 0.120 0.000 1.363 1385 I CB -0.437 37.632 38.000 0.116 0.000 1.051 1385 I HN 0.270 nan 8.210 nan 0.000 0.413 1386 A N 0.115 122.919 122.820 -0.026 0.000 1.873 1386 A HA -0.279 4.044 4.320 0.006 0.000 0.215 1386 A C 2.307 179.879 177.584 -0.021 0.000 1.186 1386 A CA 1.572 53.502 52.037 -0.179 0.000 0.616 1386 A CB -1.090 17.779 19.000 -0.218 0.000 0.823 1386 A HN 0.554 nan 8.150 nan 0.000 0.442 1387 Y N 0.493 120.772 120.300 -0.035 0.000 2.224 1387 Y HA -0.087 4.467 4.550 0.006 0.000 0.289 1387 Y C 1.642 177.560 175.900 0.031 0.000 1.146 1387 Y CA 1.656 59.754 58.100 -0.004 0.000 1.182 1387 Y CB -0.256 38.202 38.460 -0.003 0.000 0.983 1387 Y HN 0.186 nan 8.280 nan 0.000 0.524 1388 L N 0.175 121.379 121.223 -0.031 0.000 2.622 1388 L HA -0.049 4.294 4.340 0.006 0.000 0.233 1388 L C 0.095 176.922 176.870 -0.072 0.000 1.156 1388 L CA 0.922 55.712 54.840 -0.083 0.000 0.866 1388 L CB -0.119 41.997 42.059 0.095 0.000 0.980 1388 L HN 0.247 nan 8.230 nan 0.000 0.448 1389 D N -0.993 119.402 120.400 -0.009 0.000 3.078 1389 D HA 0.076 4.719 4.640 0.006 0.000 0.363 1389 D C 1.103 177.436 176.300 0.055 0.000 1.391 1389 D CA -0.003 54.033 54.000 0.061 0.000 0.754 1389 D CB 0.941 41.873 40.800 0.220 0.000 1.238 1389 D HN 0.002 nan 8.370 nan 0.000 0.500 1390 I N 1.052 121.567 120.570 -0.093 0.000 2.248 1390 I HA -0.263 3.910 4.170 0.006 0.000 0.248 1390 I C 1.557 177.662 176.117 -0.020 0.000 1.107 1390 I CA 1.881 63.137 61.300 -0.074 0.000 1.373 1390 I CB 0.219 38.143 38.000 -0.126 0.000 1.055 1390 I HN -0.031 nan 8.210 nan 0.000 0.418 1391 D N -0.393 119.995 120.400 -0.020 0.000 2.144 1391 D HA -0.146 4.497 4.640 0.006 0.000 0.199 1391 D C 2.212 178.529 176.300 0.027 0.000 0.984 1391 D CA 1.797 55.794 54.000 -0.004 0.000 0.834 1391 D CB -0.371 40.419 40.800 -0.016 0.000 0.955 1391 D HN 0.357 nan 8.370 nan 0.000 0.465 1392 T N 0.349 114.946 114.554 0.071 0.000 2.777 1392 T HA -0.070 4.283 4.350 0.006 0.000 0.266 1392 T C 2.279 177.080 174.700 0.167 0.000 1.040 1392 T CA 0.590 62.760 62.100 0.117 0.000 1.141 1392 T CB -0.276 68.678 68.868 0.143 0.000 0.868 1392 T HN -0.030 nan 8.240 nan 0.000 0.444 1393 V N 1.574 121.584 119.914 0.159 0.000 2.287 1393 V HA -0.186 3.938 4.120 0.006 0.000 0.248 1393 V C 2.386 178.487 176.094 0.012 0.000 1.053 1393 V CA 1.631 63.940 62.300 0.014 0.000 1.027 1393 V CB -0.654 31.083 31.823 -0.142 0.000 0.646 1393 V HN 0.470 nan 8.190 nan 0.000 0.447 1394 I N -0.318 120.258 120.570 0.009 0.000 2.179 1394 I HA -0.265 3.909 4.170 0.006 0.000 0.242 1394 I C 2.745 178.868 176.117 0.011 0.000 1.088 1394 I CA 1.973 63.275 61.300 0.004 0.000 1.357 1394 I CB -0.452 37.548 38.000 -0.000 0.000 1.051 1394 I HN 0.242 nan 8.210 nan 0.000 0.409 1395 R N 1.531 122.042 120.500 0.018 0.000 2.083 1395 R HA -0.202 4.142 4.340 0.006 0.000 0.237 1395 R C 2.308 178.620 176.300 0.020 0.000 1.137 1395 R CA 1.847 57.955 56.100 0.013 0.000 0.951 1395 R CB -0.383 29.921 30.300 0.008 0.000 0.851 1395 R HN 0.268 nan 8.270 nan 0.000 0.434 1396 I N 0.614 121.208 120.570 0.040 0.000 2.163 1396 I HA -0.305 3.868 4.170 0.006 0.000 0.243 1396 I C 2.276 178.414 176.117 0.035 0.000 1.085 1396 I CA 1.433 62.763 61.300 0.050 0.000 1.347 1396 I CB -0.167 37.893 38.000 0.100 0.000 1.044 1396 I HN 0.259 nan 8.210 nan 0.000 0.408 1397 I N -0.069 120.515 120.570 0.023 0.000 2.286 1397 I HA -0.276 3.897 4.170 0.006 0.000 0.248 1397 I C 2.667 178.790 176.117 0.010 0.000 1.115 1397 I CA 1.120 62.428 61.300 0.012 0.000 1.392 1397 I CB -0.318 37.682 38.000 0.001 0.000 1.065 1397 I HN 0.126 nan 8.210 nan 0.000 0.418 1398 R N 1.171 121.675 120.500 0.008 0.000 2.081 1398 R HA -0.184 4.160 4.340 0.006 0.000 0.235 1398 R C 1.948 178.252 176.300 0.006 0.000 1.131 1398 R CA 1.692 57.795 56.100 0.005 0.000 0.960 1398 R CB -0.133 30.168 30.300 0.002 0.000 0.856 1398 R HN 0.590 nan 8.270 nan 0.000 0.436 1399 E N -0.889 119.316 120.200 0.010 0.000 2.526 1399 E HA 0.090 4.444 4.350 0.006 0.000 0.208 1399 E C -0.488 176.120 176.600 0.014 0.000 0.997 1399 E CA -0.137 56.269 56.400 0.009 0.000 0.961 1399 E CB 0.472 30.175 29.700 0.006 0.000 1.030 1399 E HN 0.001 nan 8.360 nan 0.000 0.483 1400 E N 1.571 121.783 120.200 0.019 0.000 2.191 1400 E HA 0.100 4.454 4.350 0.006 0.000 0.278 1400 E C -0.585 176.027 176.600 0.020 0.000 0.972 1400 E CA -0.263 56.152 56.400 0.025 0.000 0.804 1400 E CB 1.778 31.500 29.700 0.038 0.000 1.110 1400 E HN 0.155 nan 8.360 nan 0.000 0.394 1401 D N 1.393 121.804 120.400 0.019 0.000 2.183 1401 D HA -0.115 4.528 4.640 0.006 0.000 0.203 1401 D C -0.015 176.295 176.300 0.017 0.000 0.969 1401 D CA 1.046 55.055 54.000 0.015 0.000 0.842 1401 D CB 0.228 41.036 40.800 0.013 0.000 0.957 1401 D HN 0.265 nan 8.370 nan 0.000 0.484 1402 Q N 0.000 119.813 119.800 0.022 0.000 2.798 1402 Q HA 0.223 4.567 4.340 0.006 0.000 0.250 1402 Q C -2.117 173.903 176.000 0.032 0.000 1.006 1402 Q CA -1.434 54.383 55.803 0.023 0.000 0.759 1402 Q CB 1.917 30.668 28.738 0.021 0.000 1.201 1402 Q HN 0.043 nan 8.270 nan 0.000 0.486 1403 P HA -0.194 nan 4.420 nan 0.000 0.218 1403 P C 1.167 178.494 177.300 0.046 0.000 1.149 1403 P CA 1.004 64.129 63.100 0.041 0.000 0.817 1403 P CB 0.401 32.116 31.700 0.026 0.000 0.785 1404 K N 0.194 120.613 120.400 0.031 0.000 2.009 1404 K HA -0.134 4.189 4.320 0.006 0.000 0.210 1404 K C -0.723 175.901 176.600 0.040 0.000 1.049 1404 K CA 2.204 58.508 56.287 0.028 0.000 0.929 1404 K CB -1.564 30.947 32.500 0.018 0.000 0.714 1404 K HN 0.131 nan 8.250 nan 0.000 0.440 1405 P HA -0.092 nan 4.420 nan 0.000 0.219 1405 P C 1.265 178.597 177.300 0.053 0.000 1.150 1405 P CA 0.816 63.936 63.100 0.034 0.000 0.814 1405 P CB 0.097 31.811 31.700 0.024 0.000 0.787 1406 V N -0.240 119.727 119.914 0.089 0.000 2.358 1406 V HA -0.206 3.918 4.120 0.006 0.000 0.246 1406 V C 2.485 178.728 176.094 0.249 0.000 1.047 1406 V CA 1.545 63.947 62.300 0.171 0.000 1.035 1406 V CB -1.230 30.704 31.823 0.185 0.000 0.658 1406 V HN 0.051 nan 8.190 nan 0.000 0.452 1407 L N -1.157 120.187 121.223 0.202 0.000 2.046 1407 L HA -0.225 4.119 4.340 0.006 0.000 0.208 1407 L C 2.537 179.563 176.870 0.261 0.000 1.077 1407 L CA 1.761 56.757 54.840 0.260 0.000 0.747 1407 L CB -0.461 41.631 42.059 0.056 0.000 0.896 1407 L HN 0.311 nan 8.230 nan 0.000 0.432 1408 M N -0.738 118.939 119.600 0.129 0.000 2.117 1408 M HA -0.232 4.251 4.480 0.006 0.000 0.262 1408 M C 2.269 178.609 176.300 0.066 0.000 1.065 1408 M CA 1.747 57.100 55.300 0.089 0.000 1.114 1408 M CB -0.347 32.280 32.600 0.044 0.000 1.361 1408 M HN 0.205 nan 8.290 nan 0.000 0.408 1409 E N -0.380 119.818 120.200 -0.003 0.000 2.106 1409 E HA -0.203 4.151 4.350 0.006 0.000 0.192 1409 E C 1.464 177.935 176.600 -0.215 0.000 0.984 1409 E CA 1.360 57.669 56.400 -0.153 0.000 0.806 1409 E CB 0.079 29.598 29.700 -0.301 0.000 0.750 1409 E HN 0.624 nan 8.360 nan 0.000 0.458 1410 H N -2.302 116.798 119.070 0.050 0.000 2.544 1410 H HA 0.100 4.660 4.556 0.006 0.000 0.269 1410 H C 0.575 175.746 175.328 -0.262 0.000 0.970 1410 H CA 0.699 56.685 56.048 -0.103 0.000 1.219 1410 H CB 0.428 30.102 29.762 -0.146 0.000 1.421 1410 H HN 0.148 nan 8.280 nan 0.000 0.555 1411 F N -0.456 119.542 119.950 0.080 0.000 2.706 1411 F HA 0.187 4.717 4.527 0.006 0.000 0.308 1411 F C 0.429 176.240 175.800 0.018 0.000 1.095 1411 F CA -0.285 57.742 58.000 0.045 0.000 1.244 1411 F CB 0.530 39.552 39.000 0.036 0.000 1.063 1411 F HN -0.082 nan 8.300 nan 0.000 0.582 1412 N N 1.989 120.778 118.700 0.147 0.000 2.740 1412 N HA -0.193 4.550 4.740 0.006 0.000 0.248 1412 N C -0.437 175.126 175.510 0.088 0.000 1.062 1412 N CA 1.086 54.187 53.050 0.084 0.000 0.704 1412 N CB -1.583 36.937 38.487 0.056 0.000 0.968 1412 N HN 0.461 nan 8.380 nan 0.000 0.547 1413 I N -2.846 117.782 120.570 0.096 0.000 2.947 1413 I HA 0.597 4.771 4.170 0.006 0.000 0.314 1413 I C 0.682 176.827 176.117 0.047 0.000 1.028 1413 I CA -1.028 60.301 61.300 0.048 0.000 1.077 1413 I CB 1.310 39.317 38.000 0.012 0.000 1.274 1413 I HN -0.121 nan 8.210 nan 0.000 0.485 1414 D N 1.064 121.494 120.400 0.050 0.000 2.506 1414 D HA 0.118 4.761 4.640 0.006 0.000 0.272 1414 D C 0.679 177.009 176.300 0.050 0.000 1.214 1414 D CA -0.397 53.644 54.000 0.068 0.000 1.067 1414 D CB 0.805 41.679 40.800 0.123 0.000 1.117 1414 D HN 0.800 nan 8.370 nan 0.000 0.578 1415 E N -0.924 119.304 120.200 0.048 0.000 2.077 1415 E HA -0.151 4.202 4.350 0.006 0.000 0.193 1415 E C 2.011 178.631 176.600 0.033 0.000 0.989 1415 E CA 0.625 57.044 56.400 0.032 0.000 0.800 1415 E CB 0.001 29.716 29.700 0.026 0.000 0.746 1415 E HN 0.413 nan 8.360 nan 0.000 0.452 1416 I N 1.314 121.918 120.570 0.057 0.000 2.208 1416 I HA -0.309 3.864 4.170 0.006 0.000 0.245 1416 I C 2.352 178.487 176.117 0.030 0.000 1.097 1416 I CA 1.621 62.958 61.300 0.062 0.000 1.363 1416 I CB -0.897 37.177 38.000 0.123 0.000 1.051 1416 I HN 0.337 nan 8.210 nan 0.000 0.413 1417 Q N 0.044 119.847 119.800 0.006 0.000 2.079 1417 Q HA -0.121 4.222 4.340 0.006 0.000 0.200 1417 Q C 2.365 178.332 176.000 -0.056 0.000 0.974 1417 Q CA 1.701 57.459 55.803 -0.074 0.000 0.840 1417 Q CB -0.187 28.460 28.738 -0.152 0.000 0.898 1417 Q HN 0.538 nan 8.270 nan 0.000 0.430 1418 A N 1.196 123.997 122.820 -0.032 0.000 1.930 1418 A HA -0.209 4.115 4.320 0.006 0.000 0.217 1418 A C 1.801 179.370 177.584 -0.026 0.000 1.175 1418 A CA 1.343 53.359 52.037 -0.035 0.000 0.627 1418 A CB -0.325 18.669 19.000 -0.010 0.000 0.815 1418 A HN 0.303 nan 8.150 nan 0.000 0.443 1419 E N -0.199 119.994 120.200 -0.011 0.000 2.077 1419 E HA -0.113 4.240 4.350 0.006 0.000 0.193 1419 E C 2.286 178.880 176.600 -0.010 0.000 0.989 1419 E CA 0.983 57.380 56.400 -0.006 0.000 0.800 1419 E CB -0.270 29.432 29.700 0.003 0.000 0.746 1419 E HN 0.623 nan 8.360 nan 0.000 0.452 1420 A N 0.958 123.768 122.820 -0.016 0.000 1.902 1420 A HA -0.176 4.147 4.320 0.006 0.000 0.217 1420 A C 2.155 179.724 177.584 -0.025 0.000 1.181 1420 A CA 1.077 53.102 52.037 -0.020 0.000 0.623 1420 A CB -0.550 18.434 19.000 -0.026 0.000 0.818 1420 A HN 0.151 nan 8.150 nan 0.000 0.443 1421 I N -0.394 120.150 120.570 -0.043 0.000 2.226 1421 I HA -0.259 3.914 4.170 0.006 0.000 0.245 1421 I C 2.245 178.344 176.117 -0.030 0.000 1.100 1421 I CA 1.184 62.453 61.300 -0.052 0.000 1.374 1421 I CB -0.234 37.706 38.000 -0.100 0.000 1.057 1421 I HN 0.282 nan 8.210 nan 0.000 0.413 1422 L N -0.014 121.194 121.223 -0.025 0.000 2.217 1422 L HA -0.153 4.191 4.340 0.006 0.000 0.211 1422 L C 2.465 179.337 176.870 0.004 0.000 1.107 1422 L CA 0.669 55.502 54.840 -0.010 0.000 0.783 1422 L CB -0.439 41.615 42.059 -0.008 0.000 0.919 1422 L HN 0.196 nan 8.230 nan 0.000 0.442 1423 E N 0.869 121.072 120.200 0.006 0.000 2.085 1423 E HA -0.124 4.229 4.350 0.006 0.000 0.194 1423 E C 0.819 177.443 176.600 0.039 0.000 0.994 1423 E CA 0.752 57.162 56.400 0.016 0.000 0.801 1423 E CB -0.182 29.523 29.700 0.008 0.000 0.743 1423 E HN 0.279 nan 8.360 nan 0.000 0.453 1424 L N 0.922 122.171 121.223 0.043 0.000 2.506 1424 L HA 0.114 4.458 4.340 0.006 0.000 0.281 1424 L C 0.902 177.837 176.870 0.109 0.000 1.228 1424 L CA 0.315 55.214 54.840 0.097 0.000 0.850 1424 L CB -0.196 41.910 42.059 0.079 0.000 1.110 1424 L HN 0.093 nan 8.230 nan 0.000 0.496 1425 K N 1.945 122.459 120.400 0.190 0.000 2.258 1425 K HA 0.492 4.815 4.320 0.006 0.000 0.264 1425 K C 1.133 177.720 176.600 -0.023 0.000 1.007 1425 K CA 0.333 56.627 56.287 0.013 0.000 0.941 1425 K CB 0.034 32.407 32.500 -0.212 0.000 0.966 1425 K HN 0.612 nan 8.250 nan 0.000 0.480 1426 L N 1.634 122.830 121.223 -0.045 0.000 2.043 1426 L HA -0.136 4.208 4.340 0.006 0.000 0.212 1426 L C 2.961 179.800 176.870 -0.051 0.000 1.075 1426 L CA 3.618 58.438 54.840 -0.034 0.000 0.752 1426 L CB -2.372 39.668 42.059 -0.033 0.000 0.891 1426 L HN 1.139 nan 8.230 nan 0.000 0.432 1427 R N -1.040 119.385 120.500 -0.125 0.000 2.083 1427 R HA -0.216 4.128 4.340 0.006 0.000 0.237 1427 R C 2.203 178.445 176.300 -0.097 0.000 1.137 1427 R CA 1.841 57.852 56.100 -0.148 0.000 0.951 1427 R CB -1.919 28.235 30.300 -0.244 0.000 0.851 1427 R HN 0.926 nan 8.270 nan 0.000 0.434 1428 H N -0.180 118.894 119.070 0.007 0.000 2.389 1428 H HA 0.010 4.569 4.556 0.006 0.000 0.299 1428 H C 2.099 177.435 175.328 0.013 0.000 1.081 1428 H CA 1.482 57.535 56.048 0.008 0.000 1.345 1428 H CB -0.408 29.356 29.762 0.003 0.000 1.393 1428 H HN 0.277 nan 8.280 nan 0.000 0.520 1429 L N 0.856 122.149 121.223 0.118 0.000 2.131 1429 L HA -0.043 4.301 4.340 0.006 0.000 0.210 1429 L C 2.420 179.333 176.870 0.071 0.000 1.092 1429 L CA 1.401 56.287 54.840 0.077 0.000 0.759 1429 L CB -0.671 41.411 42.059 0.039 0.000 0.903 1429 L HN 0.196 nan 8.230 nan 0.000 0.435 1430 A N -0.822 122.030 122.820 0.054 0.000 1.970 1430 A HA -0.060 4.263 4.320 0.006 0.000 0.216 1430 A C 2.385 180.013 177.584 0.073 0.000 1.170 1430 A CA 1.523 53.591 52.037 0.051 0.000 0.645 1430 A CB -0.640 18.375 19.000 0.024 0.000 0.816 1430 A HN 0.353 nan 8.150 nan 0.000 0.447 1431 K N -0.686 119.762 120.400 0.080 0.000 2.487 1431 K HA 0.385 4.708 4.320 0.006 0.000 0.192 1431 K C 0.578 177.224 176.600 0.077 0.000 1.027 1431 K CA 0.376 56.711 56.287 0.081 0.000 1.054 1431 K CB -0.831 31.728 32.500 0.098 0.000 0.824 1431 K HN 0.346 nan 8.250 nan 0.000 0.510 1432 L N 2.757 124.037 121.223 0.096 0.000 2.562 1432 L HA 0.141 4.484 4.340 0.006 0.000 0.271 1432 L C -0.203 176.692 176.870 0.041 0.000 1.167 1432 L CA 0.232 55.117 54.840 0.076 0.000 0.917 1432 L CB 0.066 42.199 42.059 0.124 0.000 1.187 1432 L HN 0.413 nan 8.230 nan 0.000 0.482 1433 E N 3.148 123.298 120.200 -0.083 0.000 2.191 1433 E HA 0.109 4.463 4.350 0.006 0.000 0.278 1433 E C 0.485 176.796 176.600 -0.481 0.000 0.972 1433 E CA -0.305 55.968 56.400 -0.212 0.000 0.804 1433 E CB 1.399 31.034 29.700 -0.108 0.000 1.110 1433 E HN 0.666 nan 8.360 nan 0.000 0.394 1434 E N 3.036 122.683 120.200 -0.922 0.000 2.051 1434 E HA -0.254 4.099 4.350 0.006 0.000 0.192 1434 E C 1.433 177.826 176.600 -0.346 0.000 0.991 1434 E CA 1.271 57.127 56.400 -0.906 0.000 0.799 1434 E CB 0.110 29.310 29.700 -0.833 0.000 0.748 1434 E HN 0.486 nan 8.360 nan 0.000 0.449 1435 M N 1.191 120.658 119.600 -0.222 0.000 2.229 1435 M HA -0.098 4.385 4.480 0.006 0.000 0.264 1435 M C 1.811 178.074 176.300 -0.061 0.000 1.063 1435 M CA 1.317 56.555 55.300 -0.103 0.000 1.114 1435 M CB -0.148 32.408 32.600 -0.074 0.000 1.387 1435 M HN 0.126 nan 8.290 nan 0.000 0.420 1436 E N -0.296 119.854 120.200 -0.083 0.000 2.047 1436 E HA -0.153 4.200 4.350 0.006 0.000 0.191 1436 E C 2.174 178.767 176.600 -0.011 0.000 0.987 1436 E CA 1.403 57.787 56.400 -0.026 0.000 0.799 1436 E CB -0.379 29.294 29.700 -0.045 0.000 0.752 1436 E HN 0.507 nan 8.360 nan 0.000 0.449 1437 I N 0.951 121.474 120.570 -0.078 0.000 2.163 1437 I HA -0.279 3.894 4.170 0.006 0.000 0.243 1437 I C 2.655 178.747 176.117 -0.041 0.000 1.085 1437 I CA 1.237 62.495 61.300 -0.069 0.000 1.347 1437 I CB -0.255 37.680 38.000 -0.108 0.000 1.044 1437 I HN -0.005 nan 8.210 nan 0.000 0.408 1438 R N -0.622 119.855 120.500 -0.038 0.000 2.115 1438 R HA -0.187 4.156 4.340 0.006 0.000 0.230 1438 R C 2.333 178.649 176.300 0.026 0.000 1.111 1438 R CA 1.266 57.360 56.100 -0.011 0.000 0.976 1438 R CB -0.503 29.790 30.300 -0.012 0.000 0.870 1438 R HN 0.435 nan 8.270 nan 0.000 0.445 1439 H N 1.136 120.176 119.070 -0.050 0.000 2.299 1439 H HA -0.089 4.470 4.556 0.006 0.000 0.302 1439 H C 1.938 177.246 175.328 -0.034 0.000 1.078 1439 H CA 1.946 57.971 56.048 -0.038 0.000 1.323 1439 H CB -0.020 29.718 29.762 -0.040 0.000 1.381 1439 H HN 0.179 nan 8.280 nan 0.000 0.498 1440 E N -0.080 120.037 120.200 -0.138 0.000 2.085 1440 E HA -0.252 4.101 4.350 0.006 0.000 0.194 1440 E C 2.253 178.768 176.600 -0.142 0.000 0.994 1440 E CA 1.272 57.563 56.400 -0.181 0.000 0.801 1440 E CB 0.008 29.659 29.700 -0.082 0.000 0.743 1440 E HN 0.653 nan 8.360 nan 0.000 0.453 1441 Q N 0.095 119.842 119.800 -0.088 0.000 2.061 1441 Q HA -0.194 4.149 4.340 0.006 0.000 0.204 1441 Q C 1.892 177.850 176.000 -0.071 0.000 0.984 1441 Q CA 1.719 57.485 55.803 -0.062 0.000 0.846 1441 Q CB -0.003 28.713 28.738 -0.036 0.000 0.902 1441 Q HN 0.308 nan 8.270 nan 0.000 0.421 1442 D N 0.235 120.587 120.400 -0.080 0.000 2.097 1442 D HA -0.190 4.454 4.640 0.006 0.000 0.195 1442 D C 1.667 177.904 176.300 -0.106 0.000 0.989 1442 D CA 1.181 55.140 54.000 -0.070 0.000 0.827 1442 D CB -0.213 40.564 40.800 -0.038 0.000 0.966 1442 D HN 0.326 nan 8.370 nan 0.000 0.456 1443 E N 0.281 120.358 120.200 -0.204 0.000 2.077 1443 E HA -0.144 4.209 4.350 0.006 0.000 0.193 1443 E C 2.237 178.762 176.600 -0.125 0.000 0.989 1443 E CA 0.640 56.916 56.400 -0.206 0.000 0.800 1443 E CB -0.111 29.370 29.700 -0.366 0.000 0.746 1443 E HN 0.216 nan 8.360 nan 0.000 0.452 1444 L N 0.374 121.529 121.223 -0.112 0.000 2.093 1444 L HA -0.111 4.232 4.340 0.006 0.000 0.208 1444 L C 2.615 179.456 176.870 -0.049 0.000 1.085 1444 L CA 0.941 55.738 54.840 -0.071 0.000 0.755 1444 L CB -0.194 41.829 42.059 -0.060 0.000 0.904 1444 L HN 0.123 nan 8.230 nan 0.000 0.435 1445 S N -0.070 115.603 115.700 -0.046 0.000 2.402 1445 S HA -0.105 4.368 4.470 0.006 0.000 0.229 1445 S C 2.126 176.710 174.600 -0.027 0.000 1.021 1445 S CA 1.107 59.289 58.200 -0.029 0.000 0.974 1445 S CB -0.131 63.055 63.200 -0.024 0.000 0.800 1445 S HN 0.491 nan 8.310 nan 0.000 0.484 1446 A N 1.585 124.385 122.820 -0.035 0.000 1.930 1446 A HA 0.016 4.339 4.320 0.006 0.000 0.215 1446 A C 2.030 179.597 177.584 -0.027 0.000 1.176 1446 A CA 1.012 53.032 52.037 -0.028 0.000 0.632 1446 A CB -0.277 18.706 19.000 -0.030 0.000 0.819 1446 A HN 0.373 nan 8.150 nan 0.000 0.445 1447 K N -0.182 120.197 120.400 -0.035 0.000 2.026 1447 K HA -0.073 4.250 4.320 0.006 0.000 0.208 1447 K C 2.285 178.874 176.600 -0.020 0.000 1.048 1447 K CA 1.170 57.438 56.287 -0.032 0.000 0.929 1447 K CB -0.297 32.177 32.500 -0.043 0.000 0.713 1447 K HN 0.423 nan 8.250 nan 0.000 0.439 1448 A N 1.302 124.112 122.820 -0.018 0.000 1.933 1448 A HA -0.103 4.220 4.320 0.006 0.000 0.218 1448 A C 2.306 179.885 177.584 -0.007 0.000 1.175 1448 A CA 1.785 53.817 52.037 -0.009 0.000 0.628 1448 A CB -0.568 18.425 19.000 -0.010 0.000 0.814 1448 A HN 0.350 nan 8.150 nan 0.000 0.444 1449 A N -0.032 122.782 122.820 -0.010 0.000 1.898 1449 A HA -0.052 4.271 4.320 0.006 0.000 0.216 1449 A C 2.095 179.676 177.584 -0.006 0.000 1.181 1449 A CA 1.451 53.483 52.037 -0.008 0.000 0.620 1449 A CB -0.572 18.423 19.000 -0.009 0.000 0.819 1449 A HN 0.475 nan 8.150 nan 0.000 0.442 1450 I N -0.387 120.178 120.570 -0.008 0.000 2.226 1450 I HA -0.267 3.907 4.170 0.006 0.000 0.245 1450 I C 2.287 178.403 176.117 -0.002 0.000 1.100 1450 I CA 1.312 62.608 61.300 -0.006 0.000 1.374 1450 I CB -0.263 37.731 38.000 -0.010 0.000 1.057 1450 I HN 0.309 nan 8.210 nan 0.000 0.413 1451 I N 0.220 120.790 120.570 0.001 0.000 2.226 1451 I HA -0.277 3.897 4.170 0.006 0.000 0.245 1451 I C 2.688 178.809 176.117 0.007 0.000 1.100 1451 I CA 1.338 62.644 61.300 0.010 0.000 1.374 1451 I CB -0.357 37.656 38.000 0.022 0.000 1.057 1451 I HN 0.126 nan 8.210 nan 0.000 0.413 1452 R N 0.688 121.190 120.500 0.003 0.000 2.105 1452 R HA -0.235 4.108 4.340 0.006 0.000 0.239 1452 R C 2.189 178.488 176.300 -0.001 0.000 1.135 1452 R CA 1.904 58.004 56.100 0.000 0.000 0.967 1452 R CB -0.377 29.921 30.300 -0.002 0.000 0.861 1452 R HN 0.503 nan 8.270 nan 0.000 0.442 1453 E N 0.820 121.019 120.200 -0.002 0.000 2.158 1453 E HA -0.169 4.184 4.350 0.006 0.000 0.191 1453 E C 1.754 178.352 176.600 -0.003 0.000 0.982 1453 E CA 1.106 57.504 56.400 -0.003 0.000 0.823 1453 E CB -0.151 29.547 29.700 -0.004 0.000 0.766 1453 E HN 0.285 nan 8.360 nan 0.000 0.468 1454 Q N 0.229 120.028 119.800 -0.002 0.000 2.124 1454 Q HA -0.032 4.311 4.340 0.006 0.000 0.202 1454 Q C 2.196 178.195 176.000 -0.003 0.000 0.977 1454 Q CA 1.539 57.341 55.803 -0.002 0.000 0.850 1454 Q CB -0.115 28.624 28.738 0.002 0.000 0.901 1454 Q HN 0.375 nan 8.270 nan 0.000 0.429 1455 L N 0.259 121.481 121.223 -0.001 0.000 2.217 1455 L HA -0.158 4.186 4.340 0.006 0.000 0.211 1455 L C 2.181 179.047 176.870 -0.006 0.000 1.107 1455 L CA 1.190 56.029 54.840 -0.003 0.000 0.783 1455 L CB -0.177 41.882 42.059 0.001 0.000 0.919 1455 L HN 0.343 nan 8.230 nan 0.000 0.442 1456 E N -1.153 119.044 120.200 -0.006 0.000 2.364 1456 E HA -0.056 4.297 4.350 0.006 0.000 0.196 1456 E C 0.761 177.357 176.600 -0.008 0.000 0.990 1456 E CA -0.042 56.354 56.400 -0.007 0.000 0.886 1456 E CB 0.170 29.867 29.700 -0.006 0.000 0.866 1456 E HN 0.143 nan 8.360 nan 0.000 0.493 1457 N N 1.051 119.747 118.700 -0.007 0.000 2.518 1457 N HA 0.229 4.973 4.740 0.006 0.000 0.254 1457 N C -2.198 173.306 175.510 -0.010 0.000 0.979 1457 N CA -2.711 50.334 53.050 -0.008 0.000 0.930 1457 N CB 1.726 40.209 38.487 -0.007 0.000 1.152 1457 N HN -0.198 nan 8.380 nan 0.000 0.505 1458 P HA -0.130 nan 4.420 nan 0.000 0.217 1458 P C 0.758 178.050 177.300 -0.014 0.000 1.148 1458 P CA 1.071 64.162 63.100 -0.015 0.000 0.828 1458 P CB 0.530 32.221 31.700 -0.015 0.000 0.783 1459 E N -0.433 119.760 120.200 -0.011 0.000 2.107 1459 E HA -0.113 4.240 4.350 0.006 0.000 0.191 1459 E C 1.986 178.581 176.600 -0.009 0.000 0.982 1459 E CA 1.439 57.833 56.400 -0.010 0.000 0.809 1459 E CB -0.595 29.101 29.700 -0.008 0.000 0.756 1459 E HN 0.234 nan 8.360 nan 0.000 0.459 1460 S N -0.229 115.466 115.700 -0.008 0.000 2.436 1460 S HA -0.084 4.390 4.470 0.006 0.000 0.228 1460 S C 1.908 176.503 174.600 -0.008 0.000 1.014 1460 S CA 0.597 58.793 58.200 -0.007 0.000 0.950 1460 S CB -0.277 62.920 63.200 -0.006 0.000 0.784 1460 S HN 0.252 nan 8.310 nan 0.000 0.504 1461 L N 1.909 123.126 121.223 -0.011 0.000 2.017 1461 L HA 0.039 4.383 4.340 0.006 0.000 0.208 1461 L C 2.264 179.124 176.870 -0.017 0.000 1.073 1461 L CA 1.764 56.596 54.840 -0.015 0.000 0.745 1461 L CB -0.758 41.289 42.059 -0.020 0.000 0.894 1461 L HN 0.163 nan 8.230 nan 0.000 0.432 1462 K N -0.455 119.935 120.400 -0.017 0.000 2.063 1462 K HA -0.170 4.153 4.320 0.006 0.000 0.208 1462 K C 1.886 178.481 176.600 -0.010 0.000 1.048 1462 K CA 1.541 57.819 56.287 -0.015 0.000 0.928 1462 K CB -0.351 32.140 32.500 -0.015 0.000 0.713 1462 K HN 0.422 nan 8.250 nan 0.000 0.442 1463 N N 1.292 119.987 118.700 -0.008 0.000 2.120 1463 N HA -0.157 4.587 4.740 0.006 0.000 0.188 1463 N C 1.790 177.298 175.510 -0.003 0.000 1.024 1463 N CA 0.791 53.837 53.050 -0.006 0.000 0.852 1463 N CB -0.371 38.112 38.487 -0.005 0.000 1.003 1463 N HN 0.073 nan 8.380 nan 0.000 0.424 1464 L N 1.442 122.663 121.223 -0.004 0.000 2.012 1464 L HA -0.042 4.302 4.340 0.006 0.000 0.210 1464 L C 1.962 178.833 176.870 0.003 0.000 1.073 1464 L CA 1.394 56.234 54.840 -0.001 0.000 0.748 1464 L CB -0.663 41.395 42.059 -0.001 0.000 0.891 1464 L HN 0.091 nan 8.230 nan 0.000 0.431 1465 I N -0.826 119.744 120.570 -0.001 0.000 2.286 1465 I HA -0.322 3.852 4.170 0.006 0.000 0.248 1465 I C 2.424 178.554 176.117 0.021 0.000 1.115 1465 I CA 1.494 62.799 61.300 0.008 0.000 1.392 1465 I CB -0.266 37.732 38.000 -0.005 0.000 1.065 1465 I HN 0.281 nan 8.210 nan 0.000 0.418 1466 I N 0.417 120.994 120.570 0.010 0.000 2.226 1466 I HA -0.301 3.873 4.170 0.006 0.000 0.245 1466 I C 2.784 178.906 176.117 0.007 0.000 1.100 1466 I CA 1.791 63.095 61.300 0.006 0.000 1.374 1466 I CB -0.330 37.667 38.000 -0.005 0.000 1.057 1466 I HN 0.321 nan 8.210 nan 0.000 0.413 1467 S N 0.113 115.817 115.700 0.006 0.000 2.402 1467 S HA -0.171 4.302 4.470 0.006 0.000 0.229 1467 S C 1.795 176.404 174.600 0.014 0.000 1.021 1467 S CA 1.038 59.242 58.200 0.007 0.000 0.974 1467 S CB -0.380 62.822 63.200 0.004 0.000 0.800 1467 S HN 0.467 nan 8.310 nan 0.000 0.484 1468 E N 1.076 121.288 120.200 0.020 0.000 2.072 1468 E HA 0.018 4.371 4.350 0.006 0.000 0.191 1468 E C 2.070 178.695 176.600 0.042 0.000 0.985 1468 E CA 1.182 57.602 56.400 0.032 0.000 0.801 1468 E CB -0.327 29.393 29.700 0.033 0.000 0.750 1468 E HN 0.507 nan 8.360 nan 0.000 0.452 1469 L N 0.990 122.237 121.223 0.040 0.000 2.046 1469 L HA -0.228 4.116 4.340 0.006 0.000 0.208 1469 L C 2.367 179.250 176.870 0.022 0.000 1.077 1469 L CA 1.307 56.169 54.840 0.036 0.000 0.747 1469 L CB -0.298 41.781 42.059 0.033 0.000 0.896 1469 L HN 0.050 nan 8.230 nan 0.000 0.432 1470 K N -0.020 120.389 120.400 0.015 0.000 2.026 1470 K HA -0.198 4.125 4.320 0.006 0.000 0.208 1470 K C 2.025 178.636 176.600 0.020 0.000 1.048 1470 K CA 1.539 57.832 56.287 0.010 0.000 0.929 1470 K CB -0.123 32.379 32.500 0.003 0.000 0.713 1470 K HN 0.331 nan 8.250 nan 0.000 0.439 1471 E N 0.737 120.953 120.200 0.026 0.000 2.077 1471 E HA -0.175 4.178 4.350 0.006 0.000 0.193 1471 E C 1.617 178.252 176.600 0.058 0.000 0.989 1471 E CA 1.291 57.708 56.400 0.028 0.000 0.800 1471 E CB 0.049 29.765 29.700 0.027 0.000 0.746 1471 E HN 0.246 nan 8.360 nan 0.000 0.452 1472 D N 0.294 120.756 120.400 0.103 0.000 2.117 1472 D HA -0.110 4.534 4.640 0.006 0.000 0.198 1472 D C 1.862 178.280 176.300 0.196 0.000 0.982 1472 D CA 1.212 55.343 54.000 0.218 0.000 0.828 1472 D CB -0.293 40.596 40.800 0.148 0.000 0.967 1472 D HN 0.168 nan 8.370 nan 0.000 0.464 1473 A N 1.104 123.976 122.820 0.086 0.000 1.933 1473 A HA -0.207 4.116 4.320 0.006 0.000 0.218 1473 A C 2.067 179.682 177.584 0.053 0.000 1.175 1473 A CA 1.356 53.428 52.037 0.058 0.000 0.628 1473 A CB -0.329 18.682 19.000 0.017 0.000 0.814 1473 A HN 0.114 nan 8.150 nan 0.000 0.444 1474 K N -0.525 119.892 120.400 0.028 0.000 2.001 1474 K HA -0.148 4.176 4.320 0.006 0.000 0.208 1474 K C 2.269 178.842 176.600 -0.044 0.000 1.048 1474 K CA 1.682 57.967 56.287 -0.003 0.000 0.932 1474 K CB -0.162 32.329 32.500 -0.015 0.000 0.715 1474 K HN 0.483 nan 8.250 nan 0.000 0.437 1475 K N -0.017 120.321 120.400 -0.104 0.000 2.025 1475 K HA -0.089 4.234 4.320 0.006 0.000 0.207 1475 K C 1.478 177.850 176.600 -0.380 0.000 1.049 1475 K CA 1.422 57.506 56.287 -0.339 0.000 0.933 1475 K CB 0.080 32.212 32.500 -0.612 0.000 0.714 1475 K HN 0.009 nan 8.250 nan 0.000 0.438 1476 F N 0.020 119.994 119.950 0.039 0.000 2.704 1476 F HA 0.290 4.820 4.527 0.006 0.000 0.304 1476 F C 1.189 177.056 175.800 0.112 0.000 1.094 1476 F CA -0.285 57.768 58.000 0.089 0.000 1.275 1476 F CB 0.383 39.436 39.000 0.090 0.000 1.073 1476 F HN -0.018 nan 8.300 nan 0.000 0.586 1477 G N 0.279 109.203 108.800 0.207 0.000 2.562 1477 G HA2 0.461 4.424 3.960 0.006 0.000 0.275 1477 G HA3 0.461 4.424 3.960 0.006 0.000 0.275 1477 G C -1.077 173.919 174.900 0.160 0.000 1.196 1477 G CA -0.149 45.052 45.100 0.169 0.000 0.908 1477 G HN 0.182 nan 8.290 nan 0.000 0.524 1478 D N -1.725 118.773 120.400 0.164 0.000 2.643 1478 D HA 0.282 4.925 4.640 0.006 0.000 0.283 1478 D C -0.612 175.726 176.300 0.065 0.000 1.242 1478 D CA -0.796 53.265 54.000 0.100 0.000 0.863 1478 D CB 0.668 41.522 40.800 0.090 0.000 1.382 1478 D HN 0.249 nan 8.370 nan 0.000 0.444 1479 E N -0.043 120.172 120.200 0.025 0.000 2.371 1479 E HA 0.175 4.529 4.350 0.006 0.000 0.257 1479 E C 0.308 176.903 176.600 -0.010 0.000 1.134 1479 E CA -0.429 55.976 56.400 0.008 0.000 0.919 1479 E CB 0.880 30.578 29.700 -0.004 0.000 1.025 1479 E HN 0.457 nan 8.360 nan 0.000 0.438 1480 R N 1.247 121.736 120.500 -0.018 0.000 2.585 1480 R HA -0.024 4.319 4.340 0.006 0.000 0.275 1480 R C 0.764 177.029 176.300 -0.058 0.000 1.018 1480 R CA 0.504 56.578 56.100 -0.043 0.000 1.072 1480 R CB 0.467 30.740 30.300 -0.045 0.000 0.953 1480 R HN 0.441 nan 8.270 nan 0.000 0.419 1481 R N 1.314 121.763 120.500 -0.085 0.000 2.195 1481 R HA 0.129 4.472 4.340 0.006 0.000 0.197 1481 R C -0.056 176.197 176.300 -0.077 0.000 0.990 1481 R CA 0.373 56.423 56.100 -0.083 0.000 1.048 1481 R CB 0.566 30.802 30.300 -0.107 0.000 0.997 1481 R HN 0.463 nan 8.270 nan 0.000 0.502 1482 S N 3.372 119.013 115.700 -0.098 0.000 2.423 1482 S HA 0.289 4.763 4.470 0.006 0.000 0.317 1482 S C -2.387 172.167 174.600 -0.078 0.000 1.065 1482 S CA -1.265 56.883 58.200 -0.088 0.000 1.111 1482 S CB 1.522 64.649 63.200 -0.122 0.000 0.968 1482 S HN 0.044 nan 8.310 nan 0.000 0.474 1483 P HA 0.225 nan 4.420 nan 0.000 0.271 1483 P C -0.668 176.601 177.300 -0.052 0.000 1.218 1483 P CA -0.323 62.746 63.100 -0.051 0.000 0.780 1483 P CB 0.559 32.234 31.700 -0.042 0.000 0.901 1484 I N 2.600 123.138 120.570 -0.052 0.000 2.325 1484 I HA 0.248 4.421 4.170 0.006 0.000 0.291 1484 I C 0.050 176.144 176.117 -0.038 0.000 1.019 1484 I CA -0.339 60.933 61.300 -0.048 0.000 1.302 1484 I CB 0.974 38.942 38.000 -0.054 0.000 1.401 1484 I HN 0.024 nan 8.210 nan 0.000 0.485 1485 V N 5.431 125.325 119.914 -0.033 0.000 2.808 1485 V HA 0.574 4.697 4.120 0.006 0.000 0.308 1485 V C 0.033 176.110 176.094 -0.028 0.000 1.099 1485 V CA -0.876 61.405 62.300 -0.032 0.000 0.920 1485 V CB 1.867 33.668 31.823 -0.036 0.000 1.014 1485 V HN 0.788 nan 8.190 nan 0.000 0.425 1486 A N 5.101 127.907 122.820 -0.023 0.000 2.401 1486 A HA 0.843 5.167 4.320 0.006 0.000 0.259 1486 A C -0.092 177.480 177.584 -0.020 0.000 1.103 1486 A CA -0.255 51.771 52.037 -0.018 0.000 0.789 1486 A CB 0.338 19.331 19.000 -0.013 0.000 1.035 1486 A HN 0.670 nan 8.150 nan 0.000 0.491 1487 R N 0.618 121.105 120.500 -0.022 0.000 2.795 1487 R HA 0.620 4.964 4.340 0.006 0.000 0.275 1487 R C -0.311 175.987 176.300 -0.003 0.000 0.981 1487 R CA -0.515 55.574 56.100 -0.019 0.000 0.917 1487 R CB 1.765 32.030 30.300 -0.059 0.000 1.202 1487 R HN 0.884 nan 8.270 nan 0.000 0.469 1488 A N 2.265 125.096 122.820 0.019 0.000 2.488 1488 A HA 0.143 4.467 4.320 0.006 0.000 0.249 1488 A C 0.179 177.782 177.584 0.032 0.000 1.083 1488 A CA -0.150 51.905 52.037 0.030 0.000 0.768 1488 A CB 0.054 19.082 19.000 0.047 0.000 1.017 1488 A HN 0.482 nan 8.150 nan 0.000 0.496 1489 E N 0.814 121.029 120.200 0.026 0.000 2.653 1489 E HA 0.093 4.447 4.350 0.006 0.000 0.264 1489 E C 0.762 177.396 176.600 0.057 0.000 0.949 1489 E CA 0.929 57.346 56.400 0.028 0.000 0.953 1489 E CB 0.246 29.961 29.700 0.024 0.000 0.925 1489 E HN 0.741 nan 8.360 nan 0.000 0.475 1490 A N 3.051 125.911 122.820 0.067 0.000 2.511 1490 A HA 0.244 4.567 4.320 0.006 0.000 0.242 1490 A C -0.131 177.503 177.584 0.082 0.000 1.069 1490 A CA -0.318 51.789 52.037 0.117 0.000 0.763 1490 A CB 0.483 19.568 19.000 0.141 0.000 1.001 1490 A HN 0.287 nan 8.150 nan 0.000 0.498 1491 V N 4.103 124.073 119.914 0.094 0.000 2.407 1491 V HA 0.279 4.403 4.120 0.006 0.000 0.291 1491 V C 0.283 176.441 176.094 0.106 0.000 1.018 1491 V CA -0.497 61.850 62.300 0.079 0.000 0.842 1491 V CB 1.105 32.971 31.823 0.072 0.000 0.996 1491 V HN 1.087 nan 8.190 nan 0.000 0.426 1492 Q N 4.160 124.021 119.800 0.102 0.000 2.318 1492 Q HA 0.516 4.859 4.340 0.006 0.000 0.222 1492 Q C 0.286 176.440 176.000 0.256 0.000 1.003 1492 Q CA -0.310 55.613 55.803 0.200 0.000 0.936 1492 Q CB 1.027 29.813 28.738 0.081 0.000 1.204 1492 Q HN 0.626 nan 8.270 nan 0.000 0.524 1493 I N 0.000 120.809 120.570 0.399 0.000 2.984 1493 I HA 0.000 4.173 4.170 0.006 0.000 0.288 1493 I CA 0.000 61.336 61.300 0.060 0.000 1.566 1493 I CB 0.000 38.031 38.000 0.051 0.000 1.214 1493 I HN 0.000 nan 8.210 nan 0.000 0.494