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 2xcr_1_U DATA FIRST_RESID 417 DATA SEQUENCE KLADCSSKSP EECEIFLVEG DSAGGSTKSG RDSRTQAILP LRGKILNVEK DATA SEQUENCE ARLDRILNNN EIRQMITAFG TGIGGDFDLA KARYHKIVIM TDADVDGAHI DATA SEQUENCE RTLLLTFFYR FMRPLIEAGY VYIAQPPLYK LTQGKQKYYV YNDRELDKLK DATA SEQUENCE SELNPTPKWS IARYKGLGEM NADQLWETTM NPEHRALLQV KLEDAIEADQ DATA SEQUENCE TFEMLMGDVV ENRRQFIEDN AVYANLDFXX 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 XXXXXAELPQ SRINERNITS DATA SEQUENCE EMRESFLDYA MSVIVARALP DVRDGLKPVH RRILYGLNEQ GMTPDKSYKK DATA SEQUENCE SARIVGDVMG KYHPHGDSSI YEAMVRMAQD FSYRYPLVDG QGNFGSMDGD DATA SEQUENCE GAAAMRFTEA RMTKITLELL RDINKDTIDF IDNYDGNERE PSVLPARFPN DATA SEQUENCE LLANGASGIA VGMATNIPPH NLTELINGVL SLSKNPDISI AELMEDIEGP DATA SEQUENCE DFPTAGLILG KSGIRRAYET GRGSIQMRSR AVIEERGGGR QRIVVTEIPF DATA SEQUENCE QVNKARMIEK IAELVRDKKI DGITDLRDET SLRTGVRVVI DVRKDANASV DATA SEQUENCE ILNNLYKQTP LQTSFGVNMI ALVNGRPKLI NLKEALVHYL EHQKTVVRRR DATA SEQUENCE TQYNLRKAKD RAHILEGLRI ALDHIDEIIS TIRESDTDKV AMESLQQRFK DATA SEQUENCE LSEKQAQAIL DMRLRRLTGL ERDKIEAEYN ELLNYISELE TILADEEVLL DATA SEQUENCE QLVRDELTEI RDRFGDDRRT EIQL 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 417 K HA 0.000 nan 4.320 nan 0.000 0.191 417 K C 0.000 176.605 176.600 0.008 0.000 0.988 417 K CA 0.000 56.288 56.287 0.001 0.000 0.838 417 K CB 0.000 32.497 32.500 -0.005 0.000 1.064 418 L N 0.355 121.587 121.223 0.015 0.000 2.375 418 L HA 0.949 5.289 4.340 0.000 0.000 0.268 418 L C -0.045 176.848 176.870 0.038 0.000 1.058 418 L CA -0.664 54.193 54.840 0.029 0.000 0.803 418 L CB 2.033 44.114 42.059 0.038 0.000 1.212 418 L HN 0.311 nan 8.230 nan 0.000 0.451 419 A N 2.704 125.550 122.820 0.043 0.000 2.342 419 A HA 0.591 4.911 4.320 0.000 0.000 0.323 419 A C -1.189 176.434 177.584 0.066 0.000 1.125 419 A CA -0.614 51.450 52.037 0.046 0.000 0.785 419 A CB 1.329 20.348 19.000 0.032 0.000 1.221 419 A HN 0.825 nan 8.150 nan 0.000 0.463 420 D N -0.073 120.373 120.400 0.076 0.000 2.592 420 D HA 0.657 5.297 4.640 0.000 0.000 0.259 420 D C 0.544 176.902 176.300 0.097 0.000 1.144 420 D CA -0.207 53.862 54.000 0.114 0.000 1.080 420 D CB 1.708 42.590 40.800 0.136 0.000 1.225 420 D HN 0.756 nan 8.370 nan 0.000 0.619 421 C N -1.263 118.112 119.300 0.126 0.000 2.536 421 C HA 0.787 5.248 4.460 0.000 0.000 0.385 421 C C 1.622 176.657 174.990 0.075 0.000 2.253 421 C CA -0.368 58.710 59.018 0.100 0.000 1.823 421 C CB 0.299 28.117 27.740 0.130 0.000 2.000 421 C HN 0.487 nan 8.230 nan 0.000 0.444 422 S N 0.177 115.913 115.700 0.060 0.000 2.720 422 S HA 0.149 4.620 4.470 0.000 0.000 0.161 422 S C 0.777 175.402 174.600 0.042 0.000 0.936 422 S CA 0.369 58.593 58.200 0.041 0.000 1.419 422 S CB -0.696 62.520 63.200 0.027 0.000 0.608 422 S HN 0.933 nan 8.310 nan 0.000 0.465 423 S N 1.898 117.618 115.700 0.034 0.000 2.885 423 S HA -0.030 4.440 4.470 0.000 0.000 0.334 423 S C 0.359 174.978 174.600 0.031 0.000 1.224 423 S CA 0.223 58.438 58.200 0.025 0.000 1.080 423 S CB -0.153 63.059 63.200 0.019 0.000 0.801 423 S HN 0.303 nan 8.310 nan 0.000 0.510 424 K N 3.337 123.746 120.400 0.014 0.000 2.745 424 K HA 0.065 4.386 4.320 0.000 0.000 0.223 424 K C 0.224 176.815 176.600 -0.015 0.000 1.057 424 K CA -0.081 56.205 56.287 -0.003 0.000 1.217 424 K CB 0.173 32.663 32.500 -0.016 0.000 0.993 424 K HN 0.421 nan 8.250 nan 0.000 0.478 425 S N 1.999 117.695 115.700 -0.006 0.000 2.416 425 S HA 0.163 4.634 4.470 0.000 0.000 0.302 425 S C -1.772 172.814 174.600 -0.024 0.000 1.120 425 S CA -1.806 56.382 58.200 -0.020 0.000 1.067 425 S CB 0.622 63.807 63.200 -0.026 0.000 1.057 425 S HN 0.050 nan 8.310 nan 0.000 0.518 426 P HA -0.175 nan 4.420 nan 0.000 0.218 426 P C 0.611 177.931 177.300 0.034 0.000 1.147 426 P CA 1.322 64.468 63.100 0.077 0.000 0.827 426 P CB 0.195 31.995 31.700 0.166 0.000 0.778 427 E N 0.048 120.060 120.200 -0.313 0.000 2.011 427 E HA -0.171 4.179 4.350 0.000 0.000 0.191 427 E C 2.048 178.536 176.600 -0.187 0.000 0.980 427 E CA 1.204 57.254 56.400 -0.583 0.000 0.814 427 E CB -1.184 28.210 29.700 -0.510 0.000 0.775 427 E HN 0.443 nan 8.360 nan 0.000 0.454 428 E N 0.769 120.902 120.200 -0.111 0.000 2.233 428 E HA -0.179 4.172 4.350 0.000 0.000 0.199 428 E C 0.231 176.837 176.600 0.010 0.000 1.004 428 E CA 0.869 57.243 56.400 -0.043 0.000 0.819 428 E CB -0.519 29.167 29.700 -0.024 0.000 0.738 428 E HN 0.116 nan 8.360 nan 0.000 0.478 429 C N 2.256 121.591 119.300 0.058 0.000 2.595 429 C HA 0.279 4.740 4.460 0.000 0.000 0.384 429 C C 0.251 175.326 174.990 0.142 0.000 1.289 429 C CA -0.549 58.556 59.018 0.145 0.000 2.372 429 C CB -0.108 27.788 27.740 0.261 0.000 2.593 429 C HN 0.449 nan 8.230 nan 0.000 0.639 430 E N 1.417 121.658 120.200 0.070 0.000 2.366 430 E HA 0.624 4.975 4.350 0.000 0.000 0.278 430 E C -1.462 174.915 176.600 -0.372 0.000 0.923 430 E CA -0.594 55.726 56.400 -0.134 0.000 0.761 430 E CB 2.013 31.555 29.700 -0.263 0.000 1.231 430 E HN 0.669 nan 8.360 nan 0.000 0.443 431 I N 1.729 121.987 120.570 -0.520 0.000 2.474 431 I HA 0.499 4.670 4.170 0.000 0.000 0.294 431 I C -1.656 174.190 176.117 -0.450 0.000 1.005 431 I CA -1.034 59.909 61.300 -0.594 0.000 1.113 431 I CB 0.984 38.560 38.000 -0.705 0.000 1.289 431 I HN 0.521 nan 8.210 nan 0.000 0.436 432 F N 7.185 127.110 119.950 -0.041 0.000 2.444 432 F HA 0.446 4.973 4.527 0.000 0.000 0.342 432 F C -0.361 175.474 175.800 0.059 0.000 1.121 432 F CA -0.735 57.285 58.000 0.033 0.000 0.997 432 F CB 1.601 40.617 39.000 0.027 0.000 1.130 432 F HN 0.172 nan 8.300 nan 0.000 0.454 433 L N 5.730 127.126 121.223 0.289 0.000 2.260 433 L HA 0.568 4.908 4.340 0.000 0.000 0.289 433 L C -0.289 176.684 176.870 0.172 0.000 1.057 433 L CA -0.838 54.129 54.840 0.211 0.000 0.811 433 L CB 0.509 42.698 42.059 0.216 0.000 1.184 433 L HN 0.377 nan 8.230 nan 0.000 0.429 434 V N -0.116 119.868 119.914 0.116 0.000 3.046 434 V HA 0.406 4.526 4.120 0.000 0.000 0.316 434 V C 0.625 176.746 176.094 0.045 0.000 1.104 434 V CA -0.776 61.567 62.300 0.072 0.000 1.006 434 V CB 2.063 33.914 31.823 0.048 0.000 1.058 434 V HN 0.698 nan 8.190 nan 0.000 0.440 435 E N 1.260 121.479 120.200 0.032 0.000 2.285 435 E HA 0.334 4.684 4.350 0.000 0.000 0.194 435 E C 0.837 177.444 176.600 0.013 0.000 0.997 435 E CA 1.093 57.505 56.400 0.020 0.000 0.845 435 E CB 0.396 30.109 29.700 0.022 0.000 0.782 435 E HN 1.008 nan 8.360 nan 0.000 0.491 436 G N -0.435 108.373 108.800 0.013 0.000 2.561 436 G HA2 0.069 4.029 3.960 0.000 0.000 0.310 436 G HA3 0.069 4.029 3.960 0.000 0.000 0.310 436 G C -0.879 174.026 174.900 0.008 0.000 1.292 436 G CA -0.509 44.596 45.100 0.009 0.000 0.811 436 G HN -0.157 nan 8.290 nan 0.000 0.482 437 D N -0.408 119.996 120.400 0.005 0.000 2.327 437 D HA 0.142 4.782 4.640 0.000 0.000 0.205 437 D C 2.438 178.739 176.300 0.001 0.000 0.989 437 D CA 0.960 54.962 54.000 0.003 0.000 0.873 437 D CB 0.596 41.398 40.800 0.003 0.000 0.955 437 D HN 0.175 nan 8.370 nan 0.000 0.515 438 S N 0.269 115.970 115.700 0.002 0.000 2.371 438 S HA -0.041 4.429 4.470 0.000 0.000 0.224 438 S C 2.070 176.667 174.600 -0.005 0.000 1.029 438 S CA 0.939 59.139 58.200 0.001 0.000 0.978 438 S CB -0.041 63.163 63.200 0.006 0.000 0.833 438 S HN 0.324 nan 8.310 nan 0.000 0.466 439 A N 1.587 124.405 122.820 -0.003 0.000 1.873 439 A HA 0.095 4.415 4.320 0.000 0.000 0.215 439 A C 2.320 179.895 177.584 -0.015 0.000 1.186 439 A CA 1.694 53.725 52.037 -0.010 0.000 0.616 439 A CB -1.416 17.584 19.000 0.001 0.000 0.823 439 A HN 0.510 nan 8.150 nan 0.000 0.442 440 G N -0.614 108.183 108.800 -0.005 0.000 2.432 440 G HA2 0.046 4.006 3.960 0.000 0.000 0.219 440 G HA3 0.046 4.006 3.960 0.000 0.000 0.219 440 G C 1.513 176.405 174.900 -0.013 0.000 1.135 440 G CA 1.230 46.328 45.100 -0.004 0.000 0.767 440 G HN 0.722 nan 8.290 nan 0.000 0.550 441 G N 0.838 109.630 108.800 -0.013 0.000 2.505 441 G HA2 -0.225 3.736 3.960 0.000 0.000 0.220 441 G HA3 -0.225 3.736 3.960 0.000 0.000 0.220 441 G C 2.122 177.006 174.900 -0.026 0.000 1.145 441 G CA 1.569 46.659 45.100 -0.016 0.000 0.761 441 G HN 0.446 nan 8.290 nan 0.000 0.571 442 S N 0.179 115.858 115.700 -0.034 0.000 2.357 442 S HA -0.077 4.393 4.470 0.000 0.000 0.221 442 S C 2.567 177.136 174.600 -0.052 0.000 1.031 442 S CA 1.602 59.775 58.200 -0.045 0.000 0.982 442 S CB -0.508 62.657 63.200 -0.058 0.000 0.853 442 S HN 0.470 nan 8.310 nan 0.000 0.458 443 T N 2.685 117.205 114.554 -0.058 0.000 2.720 443 T HA -0.118 4.232 4.350 0.000 0.000 0.268 443 T C 1.551 176.221 174.700 -0.051 0.000 1.037 443 T CA 1.231 63.287 62.100 -0.073 0.000 1.144 443 T CB -0.314 68.509 68.868 -0.076 0.000 0.864 443 T HN 0.406 nan 8.240 nan 0.000 0.444 444 K N 0.889 121.270 120.400 -0.033 0.000 2.442 444 K HA 0.066 4.387 4.320 0.000 0.000 0.198 444 K C 2.196 178.768 176.600 -0.046 0.000 1.042 444 K CA 0.776 57.048 56.287 -0.025 0.000 0.958 444 K CB 0.064 32.555 32.500 -0.014 0.000 0.766 444 K HN 0.198 nan 8.250 nan 0.000 0.474 445 S N -0.852 114.812 115.700 -0.060 0.000 2.527 445 S HA 0.053 4.523 4.470 0.000 0.000 0.227 445 S C 1.457 175.982 174.600 -0.126 0.000 1.059 445 S CA 0.300 58.454 58.200 -0.077 0.000 0.919 445 S CB 1.076 64.242 63.200 -0.058 0.000 0.805 445 S HN 0.452 nan 8.310 nan 0.000 0.500 446 G N 2.369 111.088 108.800 -0.135 0.000 3.651 446 G HA2 0.204 4.165 3.960 0.000 0.000 0.279 446 G HA3 0.204 4.165 3.960 0.000 0.000 0.279 446 G C 0.130 174.813 174.900 -0.361 0.000 1.024 446 G CA -0.647 44.300 45.100 -0.254 0.000 0.813 446 G HN 0.419 nan 8.290 nan 0.000 0.518 447 R N -0.090 120.282 120.500 -0.213 0.000 2.582 447 R HA 0.375 4.715 4.340 0.000 0.000 0.271 447 R C -1.052 175.066 176.300 -0.304 0.000 1.078 447 R CA -0.648 55.372 56.100 -0.134 0.000 1.127 447 R CB 0.768 31.064 30.300 -0.005 0.000 1.038 447 R HN -0.090 nan 8.270 nan 0.000 0.500 448 D N 1.447 121.716 120.400 -0.219 0.000 2.344 448 D HA -0.010 4.630 4.640 0.000 0.000 0.253 448 D C 0.564 176.834 176.300 -0.050 0.000 1.255 448 D CA -0.070 53.822 54.000 -0.180 0.000 0.894 448 D CB 0.940 41.730 40.800 -0.016 0.000 1.067 448 D HN 0.632 nan 8.370 nan 0.000 0.492 449 S N 3.730 119.385 115.700 -0.075 0.000 2.537 449 S HA -0.201 4.269 4.470 0.000 0.000 0.240 449 S C 1.755 176.361 174.600 0.010 0.000 0.981 449 S CA 0.322 58.508 58.200 -0.023 0.000 0.948 449 S CB -0.088 63.089 63.200 -0.038 0.000 0.759 449 S HN 0.616 nan 8.310 nan 0.000 0.531 450 R N 1.891 122.397 120.500 0.010 0.000 2.119 450 R HA -0.039 4.301 4.340 0.000 0.000 0.222 450 R C 1.085 177.417 176.300 0.054 0.000 1.088 450 R CA 1.746 57.862 56.100 0.026 0.000 0.984 450 R CB -0.163 30.147 30.300 0.017 0.000 0.884 450 R HN 0.604 nan 8.270 nan 0.000 0.447 451 T N -2.784 111.815 114.554 0.075 0.000 3.186 451 T HA 0.199 4.550 4.350 0.000 0.000 0.292 451 T C -0.164 174.610 174.700 0.123 0.000 0.915 451 T CA -0.589 61.569 62.100 0.096 0.000 0.902 451 T CB 0.453 69.370 68.868 0.082 0.000 1.192 451 T HN 0.118 nan 8.240 nan 0.000 0.563 452 Q N 1.492 121.377 119.800 0.142 0.000 2.341 452 Q HA 0.774 5.114 4.340 0.000 0.000 0.268 452 Q C -0.953 175.143 176.000 0.160 0.000 1.013 452 Q CA -0.763 55.155 55.803 0.192 0.000 0.798 452 Q CB 2.235 31.192 28.738 0.364 0.000 1.253 452 Q HN 0.405 nan 8.270 nan 0.000 0.457 453 A N 3.594 126.454 122.820 0.067 0.000 2.294 453 A HA 0.863 5.183 4.320 0.000 0.000 0.330 453 A C -0.445 177.173 177.584 0.057 0.000 1.133 453 A CA -0.613 51.441 52.037 0.029 0.000 0.836 453 A CB 0.795 19.757 19.000 -0.064 0.000 1.190 453 A HN 0.748 nan 8.150 nan 0.000 0.492 454 I N 0.618 121.229 120.570 0.069 0.000 2.569 454 I HA 0.375 4.546 4.170 0.000 0.000 0.290 454 I C -1.384 174.772 176.117 0.065 0.000 1.088 454 I CA -0.557 60.807 61.300 0.106 0.000 1.047 454 I CB 2.062 40.128 38.000 0.110 0.000 1.237 454 I HN 0.459 nan 8.210 nan 0.000 0.421 455 L N 8.849 130.117 121.223 0.075 0.000 2.345 455 L HA 0.649 4.990 4.340 0.000 0.000 0.274 455 L C -2.724 174.179 176.870 0.055 0.000 0.999 455 L CA -1.709 53.163 54.840 0.054 0.000 0.849 455 L CB 1.412 43.504 42.059 0.055 0.000 1.220 455 L HN 0.218 nan 8.230 nan 0.000 0.422 456 P HA 0.293 nan 4.420 nan 0.000 0.292 456 P C -0.201 177.106 177.300 0.012 0.000 1.326 456 P CA -0.300 62.816 63.100 0.027 0.000 0.787 456 P CB 0.855 32.565 31.700 0.018 0.000 0.903 457 L N 3.797 125.026 121.223 0.010 0.000 2.776 457 L HA 0.423 4.764 4.340 0.000 0.000 0.165 457 L C 1.102 177.963 176.870 -0.014 0.000 1.145 457 L CA -0.461 54.371 54.840 -0.013 0.000 1.230 457 L CB 0.077 42.120 42.059 -0.026 0.000 2.044 457 L HN 0.307 nan 8.230 nan 0.000 0.484 458 R N 0.026 120.512 120.500 -0.025 0.000 2.754 458 R HA 0.360 4.701 4.340 0.000 0.000 0.255 458 R C -0.127 176.163 176.300 -0.017 0.000 1.723 458 R CA 0.186 56.275 56.100 -0.017 0.000 1.596 458 R CB 1.024 31.313 30.300 -0.019 0.000 1.424 458 R HN 0.906 nan 8.270 nan 0.000 0.662 459 G N 2.174 110.969 108.800 -0.008 0.000 2.697 459 G HA2 -0.336 3.624 3.960 0.000 0.000 0.240 459 G HA3 -0.336 3.624 3.960 0.000 0.000 0.240 459 G C -0.513 174.380 174.900 -0.012 0.000 1.346 459 G CA -0.697 44.403 45.100 -0.001 0.000 0.887 459 G HN 0.450 nan 8.290 nan 0.000 0.569 460 K N 0.169 120.572 120.400 0.005 0.000 2.569 460 K HA 0.192 4.512 4.320 0.000 0.000 0.280 460 K C 1.131 177.711 176.600 -0.033 0.000 0.984 460 K CA 1.312 57.601 56.287 0.003 0.000 1.064 460 K CB 0.014 32.550 32.500 0.059 0.000 0.866 460 K HN 0.677 nan 8.250 nan 0.000 0.492 461 I N -1.403 119.124 120.570 -0.071 0.000 3.436 461 I HA 0.317 4.487 4.170 0.000 0.000 0.296 461 I C -0.465 175.593 176.117 -0.098 0.000 1.143 461 I CA -1.422 59.813 61.300 -0.109 0.000 1.009 461 I CB 0.526 38.421 38.000 -0.176 0.000 1.301 461 I HN 0.139 nan 8.210 nan 0.000 0.503 462 L N 2.911 124.056 121.223 -0.131 0.000 2.534 462 L HA 0.118 4.458 4.340 0.000 0.000 0.271 462 L C 0.214 177.045 176.870 -0.065 0.000 1.178 462 L CA 0.639 55.422 54.840 -0.096 0.000 0.907 462 L CB -0.854 41.127 42.059 -0.129 0.000 1.164 462 L HN 0.595 nan 8.230 nan 0.000 0.482 463 N N 3.203 121.895 118.700 -0.014 0.000 2.466 463 N HA 0.003 4.743 4.740 0.000 0.000 0.263 463 N C 0.765 176.296 175.510 0.035 0.000 1.178 463 N CA -0.134 52.929 53.050 0.023 0.000 0.983 463 N CB 0.607 39.128 38.487 0.057 0.000 1.331 463 N HN 0.429 nan 8.380 nan 0.000 0.500 464 V N 0.730 120.669 119.914 0.042 0.000 3.510 464 V HA 0.066 4.186 4.120 0.000 0.000 0.270 464 V C 1.664 177.835 176.094 0.128 0.000 1.201 464 V CA 0.654 62.985 62.300 0.051 0.000 1.166 464 V CB -0.751 31.069 31.823 -0.006 0.000 0.825 464 V HN 0.433 nan 8.190 nan 0.000 0.484 465 E N 1.467 121.738 120.200 0.118 0.000 2.060 465 E HA -0.049 4.301 4.350 0.000 0.000 0.189 465 E C 2.184 178.839 176.600 0.091 0.000 0.974 465 E CA 1.130 57.600 56.400 0.117 0.000 0.808 465 E CB -0.075 29.691 29.700 0.109 0.000 0.768 465 E HN 0.582 nan 8.360 nan 0.000 0.453 466 K N 0.081 120.526 120.400 0.075 0.000 2.217 466 K HA 0.100 4.420 4.320 0.000 0.000 0.202 466 K C 0.616 177.249 176.600 0.056 0.000 1.051 466 K CA 0.537 56.861 56.287 0.061 0.000 0.952 466 K CB 0.181 32.716 32.500 0.058 0.000 0.736 466 K HN 0.083 nan 8.250 nan 0.000 0.453 467 A N 1.496 124.350 122.820 0.057 0.000 2.257 467 A HA 0.356 4.676 4.320 0.000 0.000 0.289 467 A C -0.297 177.325 177.584 0.063 0.000 1.095 467 A CA -0.426 51.639 52.037 0.048 0.000 0.836 467 A CB 0.485 19.501 19.000 0.027 0.000 1.111 467 A HN 0.132 nan 8.150 nan 0.000 0.497 468 R N 0.036 120.568 120.500 0.053 0.000 2.428 468 R HA 0.356 4.696 4.340 0.000 0.000 0.294 468 R C 0.459 176.803 176.300 0.074 0.000 1.000 468 R CA -0.807 55.330 56.100 0.062 0.000 0.960 468 R CB 0.882 31.209 30.300 0.044 0.000 1.076 468 R HN 0.632 nan 8.270 nan 0.000 0.475 469 L N 2.083 123.366 121.223 0.099 0.000 2.021 469 L HA -0.302 4.038 4.340 0.000 0.000 0.215 469 L C 2.101 179.028 176.870 0.095 0.000 1.074 469 L CA 2.053 56.972 54.840 0.132 0.000 0.760 469 L CB -0.493 41.643 42.059 0.129 0.000 0.889 469 L HN 0.761 nan 8.230 nan 0.000 0.433 470 D N -1.004 119.435 120.400 0.064 0.000 2.312 470 D HA -0.228 4.412 4.640 0.000 0.000 0.211 470 D C 2.164 178.484 176.300 0.032 0.000 0.964 470 D CA 0.837 54.866 54.000 0.047 0.000 0.877 470 D CB -0.354 40.468 40.800 0.036 0.000 0.924 470 D HN 0.362 nan 8.370 nan 0.000 0.515 471 R N 0.267 120.784 120.500 0.029 0.000 2.119 471 R HA 0.060 4.400 4.340 0.000 0.000 0.222 471 R C 2.326 178.622 176.300 -0.005 0.000 1.088 471 R CA 0.399 56.505 56.100 0.011 0.000 0.984 471 R CB -0.028 30.279 30.300 0.012 0.000 0.884 471 R HN 0.182 nan 8.270 nan 0.000 0.447 472 I N 1.153 121.723 120.570 0.001 0.000 2.141 472 I HA -0.252 3.919 4.170 0.000 0.000 0.236 472 I C 1.426 177.521 176.117 -0.037 0.000 1.071 472 I CA 1.010 62.285 61.300 -0.042 0.000 1.345 472 I CB -0.259 37.707 38.000 -0.057 0.000 1.066 472 I HN 0.142 nan 8.210 nan 0.000 0.406 473 L N -0.416 120.818 121.223 0.018 0.000 2.675 473 L HA 0.143 4.484 4.340 0.000 0.000 0.239 473 L C 0.987 177.865 176.870 0.012 0.000 1.151 473 L CA 0.975 55.833 54.840 0.030 0.000 0.905 473 L CB -1.262 40.847 42.059 0.083 0.000 1.057 473 L HN 0.113 nan 8.230 nan 0.000 0.435 474 N N -0.264 118.434 118.700 -0.002 0.000 2.254 474 N HA 0.021 4.761 4.740 0.000 0.000 0.190 474 N C 0.245 175.739 175.510 -0.027 0.000 1.107 474 N CA 0.099 53.144 53.050 -0.008 0.000 0.869 474 N CB 0.033 38.519 38.487 -0.003 0.000 0.983 474 N HN 0.457 nan 8.380 nan 0.000 0.487 475 N N 0.788 119.460 118.700 -0.047 0.000 2.513 475 N HA 0.004 4.744 4.740 0.000 0.000 0.268 475 N C 0.394 175.858 175.510 -0.075 0.000 1.180 475 N CA 0.093 53.100 53.050 -0.071 0.000 0.948 475 N CB 0.505 38.925 38.487 -0.111 0.000 1.083 475 N HN 0.208 nan 8.380 nan 0.000 0.455 476 N N 2.007 120.666 118.700 -0.068 0.000 2.463 476 N HA -0.078 4.663 4.740 0.000 0.000 0.181 476 N C 0.181 175.644 175.510 -0.079 0.000 1.078 476 N CA 0.634 53.647 53.050 -0.061 0.000 0.902 476 N CB 0.451 38.912 38.487 -0.044 0.000 0.970 476 N HN 0.590 nan 8.380 nan 0.000 0.451 477 E N 0.385 120.520 120.200 -0.108 0.000 2.162 477 E HA 0.112 4.462 4.350 0.000 0.000 0.193 477 E C 1.950 178.436 176.600 -0.190 0.000 0.953 477 E CA 0.073 56.395 56.400 -0.130 0.000 0.849 477 E CB 0.057 29.679 29.700 -0.131 0.000 0.810 477 E HN 0.182 nan 8.360 nan 0.000 0.470 478 I N 1.255 121.668 120.570 -0.261 0.000 2.185 478 I HA -0.314 3.856 4.170 0.000 0.000 0.246 478 I C 2.069 178.078 176.117 -0.181 0.000 1.088 478 I CA 1.605 62.678 61.300 -0.378 0.000 1.347 478 I CB -0.692 37.063 38.000 -0.408 0.000 1.041 478 I HN 0.152 nan 8.210 nan 0.000 0.415 479 R N 0.064 120.497 120.500 -0.112 0.000 2.073 479 R HA -0.153 4.187 4.340 0.000 0.000 0.229 479 R C 2.231 178.484 176.300 -0.079 0.000 1.120 479 R CA 0.924 56.990 56.100 -0.057 0.000 0.967 479 R CB -0.279 29.998 30.300 -0.038 0.000 0.862 479 R HN 0.410 nan 8.270 nan 0.000 0.436 480 Q N 0.333 120.076 119.800 -0.096 0.000 2.226 480 Q HA -0.119 4.222 4.340 0.000 0.000 0.204 480 Q C 1.996 177.899 176.000 -0.163 0.000 0.975 480 Q CA 1.369 57.113 55.803 -0.098 0.000 0.866 480 Q CB 0.144 28.836 28.738 -0.077 0.000 0.915 480 Q HN 0.308 nan 8.270 nan 0.000 0.440 481 M N -0.513 118.967 119.600 -0.200 0.000 2.081 481 M HA -0.141 4.339 4.480 0.000 0.000 0.261 481 M C 2.001 177.881 176.300 -0.699 0.000 1.075 481 M CA 1.326 56.392 55.300 -0.390 0.000 1.133 481 M CB -0.137 32.408 32.600 -0.091 0.000 1.330 481 M HN 0.264 nan 8.290 nan 0.000 0.414 482 I N -0.186 120.244 120.570 -0.233 0.000 2.399 482 I HA -0.291 3.880 4.170 0.000 0.000 0.254 482 I C 1.836 177.895 176.117 -0.096 0.000 1.146 482 I CA 1.264 62.536 61.300 -0.046 0.000 1.412 482 I CB -0.411 37.660 38.000 0.117 0.000 1.076 482 I HN 0.363 nan 8.210 nan 0.000 0.432 483 T N -0.061 114.414 114.554 -0.132 0.000 3.067 483 T HA 0.132 4.482 4.350 0.000 0.000 0.257 483 T C 1.898 176.550 174.700 -0.081 0.000 1.105 483 T CA 0.858 62.914 62.100 -0.072 0.000 1.104 483 T CB 0.111 68.950 68.868 -0.048 0.000 0.925 483 T HN 0.423 nan 8.240 nan 0.000 0.498 484 A N 0.915 123.623 122.820 -0.187 0.000 1.970 484 A HA 0.184 4.504 4.320 0.000 0.000 0.216 484 A C 1.662 179.332 177.584 0.143 0.000 1.170 484 A CA 0.779 52.795 52.037 -0.036 0.000 0.645 484 A CB -0.592 18.372 19.000 -0.059 0.000 0.816 484 A HN 0.422 nan 8.150 nan 0.000 0.447 485 F N -0.352 119.708 119.950 0.183 0.000 2.187 485 F HA 0.295 4.823 4.527 0.001 0.000 0.295 485 F C 1.989 177.775 175.800 -0.023 0.000 1.091 485 F CA 0.245 58.313 58.000 0.114 0.000 1.308 485 F CB -1.144 37.922 39.000 0.110 0.000 1.030 485 F HN 0.358 nan 8.300 nan 0.000 0.487 486 G N 0.161 109.038 108.800 0.127 0.000 2.204 486 G HA2 -0.235 3.725 3.960 0.000 0.000 0.244 486 G HA3 -0.235 3.725 3.960 0.000 0.000 0.244 486 G C 0.706 175.599 174.900 -0.011 0.000 1.062 486 G CA 0.702 45.818 45.100 0.026 0.000 0.798 486 G HN 0.576 nan 8.290 nan 0.000 0.496 487 T N -3.650 110.913 114.554 0.014 0.000 2.966 487 T HA 0.569 4.920 4.350 0.000 0.000 0.254 487 T C 2.109 176.757 174.700 -0.086 0.000 0.961 487 T CA 1.499 63.516 62.100 -0.138 0.000 0.915 487 T CB 0.916 69.607 68.868 -0.295 0.000 1.186 487 T HN 2.342 nan 8.240 nan 0.000 0.505 488 G N 2.346 111.188 108.800 0.070 0.000 2.598 488 G HA2 -0.048 3.912 3.960 0.000 0.000 0.244 488 G HA3 -0.048 3.912 3.960 0.000 0.000 0.244 488 G C -0.503 174.554 174.900 0.262 0.000 1.302 488 G CA -0.116 45.062 45.100 0.130 0.000 0.903 488 G HN 1.464 nan 8.290 nan 0.000 0.575 489 I N -3.253 117.480 120.570 0.271 0.000 2.827 489 I HA 0.709 4.880 4.170 0.000 0.000 0.298 489 I C 1.258 177.486 176.117 0.186 0.000 1.235 489 I CA -0.249 61.243 61.300 0.320 0.000 1.021 489 I CB 1.381 39.593 38.000 0.354 0.000 1.259 489 I HN 2.476 nan 8.210 nan 0.000 0.427 490 G N 3.388 112.206 108.800 0.030 0.000 3.773 490 G HA2 -0.374 3.586 3.960 0.000 0.000 0.355 490 G HA3 -0.374 3.586 3.960 0.000 0.000 0.355 490 G C 0.885 175.756 174.900 -0.048 0.000 1.323 490 G CA 1.285 46.301 45.100 -0.139 0.000 1.103 490 G HN 1.353 nan 8.290 nan 0.000 0.716 491 G N -0.066 108.726 108.800 -0.014 0.000 2.556 491 G HA2 0.093 4.054 3.960 0.000 0.000 0.215 491 G HA3 0.093 4.054 3.960 0.000 0.000 0.215 491 G C 0.988 175.917 174.900 0.048 0.000 1.258 491 G CA 1.378 46.479 45.100 0.002 0.000 0.811 491 G HN 0.551 nan 8.290 nan 0.000 0.557 492 D N 0.187 120.624 120.400 0.062 0.000 2.395 492 D HA 0.095 4.735 4.640 0.000 0.000 0.250 492 D C -0.244 176.096 176.300 0.067 0.000 1.203 492 D CA -0.362 53.668 54.000 0.051 0.000 0.872 492 D CB -0.502 40.319 40.800 0.035 0.000 0.941 492 D HN 0.124 nan 8.370 nan 0.000 0.504 493 F N 1.606 121.531 119.950 -0.042 0.000 2.472 493 F HA 0.149 4.676 4.527 0.000 0.000 0.364 493 F C 0.325 176.085 175.800 -0.067 0.000 1.090 493 F CA -0.224 57.744 58.000 -0.054 0.000 1.188 493 F CB 0.510 39.460 39.000 -0.084 0.000 1.105 493 F HN -0.213 nan 8.300 nan 0.000 0.536 494 D N 5.901 125.910 120.400 -0.652 0.000 2.649 494 D HA 0.151 4.792 4.640 0.000 0.000 0.249 494 D C 0.137 176.039 176.300 -0.664 0.000 1.112 494 D CA -0.411 53.315 54.000 -0.457 0.000 0.850 494 D CB 2.098 42.750 40.800 -0.247 0.000 1.399 494 D HN 0.650 nan 8.370 nan 0.000 0.503 495 L N 3.828 124.793 121.223 -0.431 0.000 2.102 495 L HA 0.149 4.489 4.340 0.000 0.000 0.202 495 L C 2.370 179.089 176.870 -0.251 0.000 1.076 495 L CA 1.399 56.004 54.840 -0.391 0.000 0.761 495 L CB -0.268 41.640 42.059 -0.251 0.000 0.921 495 L HN 0.620 nan 8.230 nan 0.000 0.444 496 A N -0.921 121.809 122.820 -0.150 0.000 2.076 496 A HA -0.229 4.091 4.320 0.000 0.000 0.220 496 A C 2.164 179.707 177.584 -0.068 0.000 1.160 496 A CA 1.550 53.546 52.037 -0.068 0.000 0.653 496 A CB -0.494 18.482 19.000 -0.040 0.000 0.801 496 A HN 0.382 nan 8.150 nan 0.000 0.455 497 K N -0.083 120.246 120.400 -0.119 0.000 2.525 497 K HA 0.224 4.544 4.320 0.000 0.000 0.192 497 K C 0.570 177.115 176.600 -0.092 0.000 1.029 497 K CA 0.234 56.461 56.287 -0.100 0.000 1.029 497 K CB -0.161 32.269 32.500 -0.117 0.000 0.814 497 K HN 0.471 nan 8.250 nan 0.000 0.503 498 A N 1.118 123.874 122.820 -0.106 0.000 2.450 498 A HA 0.111 4.431 4.320 0.000 0.000 0.255 498 A C 0.570 178.133 177.584 -0.035 0.000 1.096 498 A CA -0.163 51.828 52.037 -0.075 0.000 0.778 498 A CB 0.364 19.284 19.000 -0.133 0.000 1.031 498 A HN 0.283 nan 8.150 nan 0.000 0.494 499 R N 0.773 121.210 120.500 -0.105 0.000 2.280 499 R HA 0.105 4.445 4.340 0.000 0.000 0.195 499 R C -0.848 175.195 176.300 -0.429 0.000 0.935 499 R CA 0.681 56.603 56.100 -0.296 0.000 1.033 499 R CB 0.172 30.183 30.300 -0.483 0.000 0.964 499 R HN 0.789 nan 8.270 nan 0.000 0.489 500 Y N -1.511 118.889 120.300 0.167 0.000 2.462 500 Y HA 0.254 4.804 4.550 0.000 0.000 0.346 500 Y C 0.553 176.541 175.900 0.147 0.000 0.976 500 Y CA -0.967 57.224 58.100 0.153 0.000 1.044 500 Y CB 1.577 40.112 38.460 0.125 0.000 1.230 500 Y HN -0.122 nan 8.280 nan 0.000 0.455 501 H N 0.280 119.419 119.070 0.113 0.000 2.586 501 H HA 0.295 4.852 4.556 0.000 0.000 0.273 501 H C -0.699 174.485 175.328 -0.240 0.000 0.997 501 H CA 0.039 55.959 56.048 -0.213 0.000 1.177 501 H CB 0.535 30.102 29.762 -0.324 0.000 1.471 501 H HN 0.366 nan 8.280 nan 0.000 0.538 502 K N 0.943 121.396 120.400 0.089 0.000 2.664 502 K HA 0.270 4.590 4.320 0.000 0.000 0.234 502 K C -1.286 175.340 176.600 0.044 0.000 0.980 502 K CA -0.537 55.849 56.287 0.166 0.000 0.996 502 K CB 2.066 34.621 32.500 0.092 0.000 1.190 502 K HN -0.077 nan 8.250 nan 0.000 0.479 503 I N 2.459 123.044 120.570 0.025 0.000 2.371 503 I HA 0.101 4.271 4.170 0.000 0.000 0.290 503 I C -0.279 175.870 176.117 0.053 0.000 1.028 503 I CA -0.403 60.864 61.300 -0.055 0.000 1.345 503 I CB 1.414 39.241 38.000 -0.288 0.000 1.407 503 I HN 0.232 nan 8.210 nan 0.000 0.501 504 V N 7.395 127.334 119.914 0.042 0.000 2.407 504 V HA 0.331 4.451 4.120 0.000 0.000 0.291 504 V C 0.228 176.478 176.094 0.261 0.000 1.018 504 V CA -0.624 61.757 62.300 0.135 0.000 0.842 504 V CB 1.735 33.534 31.823 -0.041 0.000 0.996 504 V HN 0.398 nan 8.190 nan 0.000 0.426 505 I N 5.570 126.303 120.570 0.271 0.000 2.268 505 I HA 0.206 4.376 4.170 0.000 0.000 0.298 505 I C 0.262 176.503 176.117 0.207 0.000 1.185 505 I CA 0.599 62.042 61.300 0.239 0.000 1.548 505 I CB -0.062 38.066 38.000 0.213 0.000 1.492 505 I HN 0.663 nan 8.210 nan 0.000 0.711 506 M N 6.346 126.083 119.600 0.227 0.000 2.495 506 M HA 0.225 4.706 4.480 0.000 0.000 0.346 506 M C -0.046 176.321 176.300 0.110 0.000 1.251 506 M CA -0.219 55.185 55.300 0.172 0.000 1.249 506 M CB 0.314 33.026 32.600 0.186 0.000 1.229 506 M HN 0.508 nan 8.290 nan 0.000 0.450 507 T N -0.287 114.324 114.554 0.093 0.000 2.940 507 T HA 0.442 4.793 4.350 0.000 0.000 0.288 507 T C -0.237 174.500 174.700 0.061 0.000 1.033 507 T CA -0.943 61.198 62.100 0.069 0.000 1.033 507 T CB 1.086 69.990 68.868 0.061 0.000 1.079 507 T HN 0.519 nan 8.240 nan 0.000 0.496 508 D N 1.240 121.669 120.400 0.048 0.000 2.908 508 D HA 0.203 4.843 4.640 0.000 0.000 0.215 508 D C 0.288 176.625 176.300 0.062 0.000 1.095 508 D CA 0.910 54.937 54.000 0.046 0.000 0.812 508 D CB 0.128 40.954 40.800 0.044 0.000 1.180 508 D HN 0.916 nan 8.370 nan 0.000 0.512 509 A N 2.710 125.568 122.820 0.062 0.000 3.095 509 A HA 0.385 4.705 4.320 0.000 0.000 0.301 509 A C -0.390 177.225 177.584 0.052 0.000 1.432 509 A CA -0.618 51.468 52.037 0.081 0.000 1.140 509 A CB -0.133 18.939 19.000 0.120 0.000 1.174 509 A HN 0.472 nan 8.150 nan 0.000 0.546 510 D N -0.895 119.542 120.400 0.062 0.000 2.714 510 D HA 0.271 4.911 4.640 0.000 0.000 0.278 510 D C 1.087 177.449 176.300 0.104 0.000 1.102 510 D CA 0.057 54.096 54.000 0.064 0.000 1.108 510 D CB 0.338 41.164 40.800 0.044 0.000 1.444 510 D HN 0.290 nan 8.370 nan 0.000 0.568 511 V N -2.610 117.375 119.914 0.118 0.000 2.828 511 V HA -0.128 3.992 4.120 0.000 0.000 0.260 511 V C 0.795 177.034 176.094 0.242 0.000 1.101 511 V CA 1.707 64.106 62.300 0.165 0.000 1.123 511 V CB -0.653 31.244 31.823 0.122 0.000 0.704 511 V HN 0.449 nan 8.190 nan 0.000 0.493 512 D N 0.751 121.261 120.400 0.183 0.000 2.367 512 D HA 0.150 4.791 4.640 0.000 0.000 0.207 512 D C 2.058 178.427 176.300 0.115 0.000 1.034 512 D CA 1.121 55.219 54.000 0.164 0.000 0.861 512 D CB 0.839 41.714 40.800 0.124 0.000 0.943 512 D HN 0.594 nan 8.370 nan 0.000 0.515 513 G N 0.655 109.515 108.800 0.100 0.000 2.545 513 G HA2 0.066 4.026 3.960 0.000 0.000 0.212 513 G HA3 0.066 4.026 3.960 0.000 0.000 0.212 513 G C 1.647 176.589 174.900 0.071 0.000 1.144 513 G CA 0.693 45.838 45.100 0.074 0.000 0.813 513 G HN 0.244 nan 8.290 nan 0.000 0.531 514 A N 0.476 123.354 122.820 0.097 0.000 1.902 514 A HA -0.117 4.203 4.320 0.000 0.000 0.217 514 A C 2.065 179.689 177.584 0.066 0.000 1.181 514 A CA 1.836 53.931 52.037 0.097 0.000 0.623 514 A CB -0.954 18.123 19.000 0.127 0.000 0.818 514 A HN 0.504 nan 8.150 nan 0.000 0.443 515 H N -0.360 118.665 119.070 -0.076 0.000 2.352 515 H HA -0.096 4.461 4.556 0.000 0.000 0.299 515 H C 1.955 177.193 175.328 -0.151 0.000 1.097 515 H CA 2.002 57.880 56.048 -0.284 0.000 1.311 515 H CB -0.082 29.244 29.762 -0.727 0.000 1.377 515 H HN 0.463 nan 8.280 nan 0.000 0.504 516 I N 0.353 120.822 120.570 -0.169 0.000 2.394 516 I HA -0.209 3.961 4.170 0.000 0.000 0.251 516 I C 3.003 179.047 176.117 -0.121 0.000 1.136 516 I CA 0.579 61.773 61.300 -0.176 0.000 1.425 516 I CB -0.245 37.721 38.000 -0.057 0.000 1.079 516 I HN 0.192 nan 8.210 nan 0.000 0.425 517 R N 0.454 120.926 120.500 -0.047 0.000 2.094 517 R HA -0.244 4.096 4.340 0.000 0.000 0.239 517 R C 2.554 178.849 176.300 -0.008 0.000 1.137 517 R CA 2.570 58.673 56.100 0.005 0.000 0.943 517 R CB -0.570 29.759 30.300 0.049 0.000 0.850 517 R HN 0.517 nan 8.270 nan 0.000 0.433 518 T N -0.425 114.109 114.554 -0.033 0.000 2.652 518 T HA -0.159 4.191 4.350 0.000 0.000 0.267 518 T C 1.978 176.666 174.700 -0.020 0.000 1.039 518 T CA 1.622 63.720 62.100 -0.003 0.000 1.153 518 T CB -0.457 68.443 68.868 0.053 0.000 0.863 518 T HN 0.156 nan 8.240 nan 0.000 0.428 519 L N 0.887 122.018 121.223 -0.153 0.000 2.012 519 L HA 0.045 4.385 4.340 0.000 0.000 0.210 519 L C 2.900 179.735 176.870 -0.058 0.000 1.073 519 L CA 1.360 56.130 54.840 -0.116 0.000 0.748 519 L CB -1.005 40.922 42.059 -0.220 0.000 0.891 519 L HN 0.235 nan 8.230 nan 0.000 0.431 520 L N -0.835 120.323 121.223 -0.107 0.000 1.990 520 L HA -0.295 4.045 4.340 0.000 0.000 0.213 520 L C 2.573 179.377 176.870 -0.111 0.000 1.072 520 L CA 1.581 56.313 54.840 -0.179 0.000 0.755 520 L CB -0.471 41.475 42.059 -0.187 0.000 0.889 520 L HN 0.271 nan 8.230 nan 0.000 0.432 521 L N -1.118 120.136 121.223 0.052 0.000 2.012 521 L HA -0.259 4.082 4.340 0.000 0.000 0.210 521 L C 2.574 179.569 176.870 0.208 0.000 1.073 521 L CA 1.857 56.816 54.840 0.198 0.000 0.748 521 L CB -1.076 41.130 42.059 0.244 0.000 0.891 521 L HN 0.310 nan 8.230 nan 0.000 0.431 522 T N -0.061 114.634 114.554 0.236 0.000 2.721 522 T HA -0.278 4.072 4.350 0.000 0.000 0.268 522 T C 1.508 176.280 174.700 0.119 0.000 1.038 522 T CA 2.039 64.248 62.100 0.183 0.000 1.145 522 T CB -0.432 68.579 68.868 0.237 0.000 0.858 522 T HN 0.314 nan 8.240 nan 0.000 0.459 523 F N 1.127 121.065 119.950 -0.020 0.000 2.074 523 F HA 0.050 4.578 4.527 0.001 0.000 0.293 523 F C 1.802 177.688 175.800 0.144 0.000 1.116 523 F CA 0.836 58.811 58.000 -0.042 0.000 1.212 523 F CB -0.520 38.359 39.000 -0.202 0.000 0.998 523 F HN 0.015 nan 8.300 nan 0.000 0.471 524 F N -0.031 119.861 119.950 -0.098 0.000 2.192 524 F HA -0.218 4.309 4.527 0.000 0.000 0.301 524 F C 2.270 177.934 175.800 -0.226 0.000 1.079 524 F CA 1.239 59.113 58.000 -0.209 0.000 1.303 524 F CB -1.617 37.398 39.000 0.024 0.000 1.024 524 F HN 0.216 nan 8.300 nan 0.000 0.494 525 Y N 0.947 121.194 120.300 -0.088 0.000 2.144 525 Y HA -0.086 4.465 4.550 0.000 0.000 0.279 525 Y C 2.582 178.329 175.900 -0.254 0.000 1.099 525 Y CA 1.506 59.471 58.100 -0.226 0.000 1.087 525 Y CB -0.500 37.706 38.460 -0.423 0.000 1.007 525 Y HN -0.253 nan 8.280 nan 0.000 0.482 526 R N -0.653 119.791 120.500 -0.093 0.000 2.211 526 R HA -0.171 4.170 4.340 0.000 0.000 0.240 526 R C 1.023 177.189 176.300 -0.223 0.000 1.144 526 R CA 1.471 57.498 56.100 -0.121 0.000 0.992 526 R CB -0.501 29.925 30.300 0.211 0.000 0.869 526 R HN 0.396 nan 8.270 nan 0.000 0.462 527 F N -1.839 117.854 119.950 -0.428 0.000 2.798 527 F HA 0.313 4.840 4.527 0.000 0.000 0.328 527 F C 0.718 176.252 175.800 -0.443 0.000 1.098 527 F CA -0.016 57.746 58.000 -0.397 0.000 1.172 527 F CB 0.597 39.366 39.000 -0.385 0.000 1.072 527 F HN -0.213 nan 8.300 nan 0.000 0.555 528 M N -0.721 118.656 119.600 -0.371 0.000 4.145 528 M HA 0.224 4.705 4.480 0.000 0.000 0.493 528 M C 1.240 177.175 176.300 -0.609 0.000 1.957 528 M CA 0.061 55.035 55.300 -0.544 0.000 0.584 528 M CB 0.706 33.169 32.600 -0.229 0.000 1.446 528 M HN -0.137 nan 8.290 nan 0.000 0.557 529 R N 1.204 121.306 120.500 -0.663 0.000 2.117 529 R HA -0.125 4.215 4.340 0.000 0.000 0.243 529 R C -1.073 174.936 176.300 -0.486 0.000 1.143 529 R CA 1.771 57.512 56.100 -0.599 0.000 0.968 529 R CB -0.446 29.456 30.300 -0.664 0.000 0.863 529 R HN 0.276 nan 8.270 nan 0.000 0.444 530 P HA -0.045 nan 4.420 nan 0.000 0.249 530 P C 0.701 177.848 177.300 -0.254 0.000 1.229 530 P CA 0.327 63.188 63.100 -0.398 0.000 0.788 530 P CB 0.204 31.684 31.700 -0.365 0.000 1.072 531 L N -0.940 120.105 121.223 -0.296 0.000 2.179 531 L HA 0.028 4.368 4.340 0.000 0.000 0.208 531 L C 1.781 178.478 176.870 -0.288 0.000 1.096 531 L CA 1.457 56.136 54.840 -0.268 0.000 0.779 531 L CB -0.957 40.922 42.059 -0.300 0.000 0.922 531 L HN -0.042 nan 8.230 nan 0.000 0.443 532 I N -0.612 119.821 120.570 -0.229 0.000 2.585 532 I HA -0.137 4.033 4.170 0.000 0.000 0.254 532 I C 2.284 178.338 176.117 -0.106 0.000 1.129 532 I CA 0.594 61.810 61.300 -0.141 0.000 1.455 532 I CB 0.062 38.021 38.000 -0.068 0.000 1.111 532 I HN 0.178 nan 8.210 nan 0.000 0.433 533 E N 0.738 120.864 120.200 -0.123 0.000 2.017 533 E HA -0.234 4.116 4.350 0.000 0.000 0.193 533 E C 2.339 178.896 176.600 -0.072 0.000 0.997 533 E CA 1.418 57.764 56.400 -0.089 0.000 0.804 533 E CB -0.410 29.227 29.700 -0.105 0.000 0.757 533 E HN 0.462 nan 8.360 nan 0.000 0.448 534 A N 0.365 123.114 122.820 -0.117 0.000 2.054 534 A HA -0.155 4.166 4.320 0.000 0.000 0.223 534 A C 1.886 179.548 177.584 0.129 0.000 1.169 534 A CA 1.708 53.693 52.037 -0.087 0.000 0.655 534 A CB -0.956 17.794 19.000 -0.418 0.000 0.812 534 A HN 0.487 nan 8.150 nan 0.000 0.462 535 G N -3.796 105.045 108.800 0.068 0.000 2.164 535 G HA2 -0.215 3.745 3.960 0.000 0.000 0.212 535 G HA3 -0.215 3.745 3.960 0.000 0.000 0.212 535 G C 0.142 175.047 174.900 0.009 0.000 1.031 535 G CA 0.378 45.494 45.100 0.026 0.000 0.730 535 G HN 0.465 nan 8.290 nan 0.000 0.501 536 Y N -0.768 119.342 120.300 -0.316 0.000 2.458 536 Y HA 0.440 4.990 4.550 0.000 0.000 0.256 536 Y C 1.495 177.172 175.900 -0.372 0.000 1.159 536 Y CA -0.984 56.931 58.100 -0.309 0.000 1.261 536 Y CB 0.636 38.932 38.460 -0.272 0.000 1.119 536 Y HN 0.173 nan 8.280 nan 0.000 0.524 537 V N 1.559 121.310 119.914 -0.272 0.000 2.348 537 V HA 0.187 4.307 4.120 0.000 0.000 0.270 537 V C -0.984 174.954 176.094 -0.260 0.000 1.037 537 V CA -0.686 61.490 62.300 -0.207 0.000 0.872 537 V CB -0.128 31.617 31.823 -0.130 0.000 1.002 537 V HN 0.065 nan 8.190 nan 0.000 0.464 538 Y N 4.635 124.955 120.300 0.033 0.000 2.377 538 Y HA 0.566 5.116 4.550 0.000 0.000 0.339 538 Y C 0.358 176.310 175.900 0.088 0.000 1.011 538 Y CA -0.799 57.330 58.100 0.048 0.000 1.093 538 Y CB 1.662 40.135 38.460 0.022 0.000 1.201 538 Y HN 0.425 nan 8.280 nan 0.000 0.455 539 I N 3.388 124.100 120.570 0.237 0.000 2.371 539 I HA 0.387 4.558 4.170 0.000 0.000 0.290 539 I C 0.230 176.457 176.117 0.184 0.000 1.028 539 I CA -0.389 61.025 61.300 0.190 0.000 1.345 539 I CB 0.787 38.868 38.000 0.136 0.000 1.407 539 I HN 0.688 nan 8.210 nan 0.000 0.501 540 A N 6.434 129.367 122.820 0.189 0.000 2.316 540 A HA 0.467 4.787 4.320 0.000 0.000 0.284 540 A C -0.342 177.305 177.584 0.105 0.000 1.115 540 A CA -0.444 51.689 52.037 0.160 0.000 0.812 540 A CB 0.611 19.741 19.000 0.216 0.000 1.064 540 A HN 0.745 nan 8.150 nan 0.000 0.489 541 Q N 1.645 121.486 119.800 0.068 0.000 2.394 541 Q HA 0.423 4.763 4.340 0.000 0.000 0.259 541 Q C -2.613 173.470 176.000 0.139 0.000 1.021 541 Q CA -1.601 54.233 55.803 0.052 0.000 0.805 541 Q CB 2.163 30.860 28.738 -0.068 0.000 1.226 541 Q HN 0.536 nan 8.270 nan 0.000 0.476 542 P HA 0.448 nan 4.420 nan 0.000 0.298 542 P C -2.748 174.735 177.300 0.306 0.000 1.334 542 P CA -2.393 60.815 63.100 0.180 0.000 0.942 542 P CB 1.375 33.124 31.700 0.082 0.000 1.162 543 P HA 0.126 nan 4.420 nan 0.000 0.271 543 P C 0.377 177.672 177.300 -0.010 0.000 1.216 543 P CA -0.254 62.722 63.100 -0.206 0.000 0.776 543 P CB 0.545 32.217 31.700 -0.047 0.000 0.881 544 L N 3.479 124.618 121.223 -0.140 0.000 2.189 544 L HA 0.231 4.571 4.340 0.000 0.000 0.199 544 L C 0.116 176.700 176.870 -0.477 0.000 1.074 544 L CA 1.411 56.111 54.840 -0.233 0.000 0.783 544 L CB -0.538 41.366 42.059 -0.258 0.000 0.955 544 L HN 0.262 nan 8.230 nan 0.000 0.460 545 Y N -0.628 119.595 120.300 -0.128 0.000 2.549 545 Y HA 0.466 5.016 4.550 0.000 0.000 0.339 545 Y C -0.006 175.793 175.900 -0.169 0.000 1.053 545 Y CA -0.861 57.121 58.100 -0.198 0.000 1.105 545 Y CB 1.143 39.512 38.460 -0.152 0.000 1.258 545 Y HN -0.167 nan 8.280 nan 0.000 0.478 546 K N 2.757 123.109 120.400 -0.080 0.000 2.646 546 K HA 0.269 4.590 4.320 0.000 0.000 0.210 546 K C -1.877 174.607 176.600 -0.193 0.000 1.020 546 K CA -0.623 55.546 56.287 -0.197 0.000 1.040 546 K CB 0.557 32.944 32.500 -0.187 0.000 1.253 546 K HN 0.515 nan 8.250 nan 0.000 0.532 547 L N 3.971 125.090 121.223 -0.174 0.000 2.342 547 L HA 0.292 4.633 4.340 0.000 0.000 0.285 547 L C -0.878 175.865 176.870 -0.212 0.000 1.095 547 L CA 0.764 55.495 54.840 -0.181 0.000 0.843 547 L CB 0.456 42.389 42.059 -0.209 0.000 1.201 547 L HN 0.518 nan 8.230 nan 0.000 0.445 548 T N 5.512 119.967 114.554 -0.165 0.000 2.758 548 T HA 0.269 4.619 4.350 0.000 0.000 0.285 548 T C 0.080 174.741 174.700 -0.066 0.000 0.981 548 T CA -0.195 61.796 62.100 -0.182 0.000 0.965 548 T CB 0.952 69.740 68.868 -0.134 0.000 0.927 548 T HN 0.529 nan 8.240 nan 0.000 0.448 549 Q N 2.681 122.419 119.800 -0.104 0.000 2.626 549 Q HA 0.454 4.794 4.340 0.000 0.000 0.239 549 Q C 1.159 177.156 176.000 -0.005 0.000 1.101 549 Q CA 0.077 55.903 55.803 0.037 0.000 0.918 549 Q CB -0.243 28.564 28.738 0.115 0.000 1.151 549 Q HN 1.060 nan 8.270 nan 0.000 0.531 550 G N 2.686 111.486 108.800 -0.001 0.000 3.181 550 G HA2 -0.492 3.468 3.960 0.000 0.000 0.322 550 G HA3 -0.492 3.468 3.960 0.000 0.000 0.322 550 G C 0.797 175.672 174.900 -0.041 0.000 1.246 550 G CA 0.809 45.902 45.100 -0.012 0.000 0.989 550 G HN 0.554 nan 8.290 nan 0.000 0.607 551 K N 0.803 121.179 120.400 -0.041 0.000 2.031 551 K HA 0.063 4.383 4.320 0.000 0.000 0.205 551 K C 1.872 178.411 176.600 -0.102 0.000 1.049 551 K CA 1.362 57.618 56.287 -0.052 0.000 0.939 551 K CB -0.226 32.256 32.500 -0.030 0.000 0.717 551 K HN 0.654 nan 8.250 nan 0.000 0.438 552 Q N 1.036 120.746 119.800 -0.150 0.000 2.967 552 Q HA -0.050 4.290 4.340 0.000 0.000 0.201 552 Q C -0.595 175.158 176.000 -0.411 0.000 1.148 552 Q CA 0.837 56.454 55.803 -0.309 0.000 1.177 552 Q CB 0.152 28.618 28.738 -0.453 0.000 1.323 552 Q HN 0.284 nan 8.270 nan 0.000 0.676 553 K N -1.152 118.850 120.400 -0.665 0.000 2.560 553 K HA 0.328 4.648 4.320 0.000 0.000 0.276 553 K C -1.890 174.293 176.600 -0.696 0.000 1.025 553 K CA -0.403 55.493 56.287 -0.651 0.000 0.974 553 K CB 0.007 32.262 32.500 -0.408 0.000 1.347 553 K HN 0.491 nan 8.250 nan 0.000 0.447 554 Y N 1.545 121.685 120.300 -0.265 0.000 2.420 554 Y HA 0.452 5.002 4.550 0.001 0.000 0.334 554 Y C -0.624 175.093 175.900 -0.305 0.000 1.094 554 Y CA -1.210 56.772 58.100 -0.197 0.000 1.126 554 Y CB 1.499 39.873 38.460 -0.144 0.000 1.217 554 Y HN 0.424 nan 8.280 nan 0.000 0.462 555 Y N 1.507 121.877 120.300 0.116 0.000 2.388 555 Y HA 0.470 5.020 4.550 0.000 0.000 0.328 555 Y C -0.271 175.544 175.900 -0.142 0.000 0.963 555 Y CA -0.931 57.147 58.100 -0.037 0.000 1.240 555 Y CB 0.975 39.409 38.460 -0.044 0.000 1.118 555 Y HN 0.303 nan 8.280 nan 0.000 0.484 556 V N 3.334 123.226 119.914 -0.037 0.000 3.109 556 V HA 0.210 4.330 4.120 0.000 0.000 0.317 556 V C -0.470 175.503 176.094 -0.201 0.000 1.074 556 V CA -0.488 61.810 62.300 -0.003 0.000 1.033 556 V CB 1.484 33.349 31.823 0.070 0.000 1.111 556 V HN 0.675 nan 8.190 nan 0.000 0.458 557 Y N 1.249 121.661 120.300 0.187 0.000 2.717 557 Y HA 0.349 4.900 4.550 0.001 0.000 0.250 557 Y C 0.503 176.490 175.900 0.145 0.000 1.149 557 Y CA -0.612 57.578 58.100 0.150 0.000 1.211 557 Y CB 0.440 38.962 38.460 0.104 0.000 1.289 557 Y HN 0.855 nan 8.280 nan 0.000 0.552 558 N N -2.554 116.327 118.700 0.302 0.000 3.836 558 N HA -0.017 4.723 4.740 0.000 0.000 0.229 558 N C -0.562 175.079 175.510 0.219 0.000 1.375 558 N CA -0.339 52.864 53.050 0.255 0.000 0.838 558 N CB 0.185 38.771 38.487 0.165 0.000 1.447 558 N HN -0.199 nan 8.380 nan 0.000 0.458 559 D N 0.307 120.810 120.400 0.172 0.000 2.144 559 D HA -0.039 4.601 4.640 0.000 0.000 0.199 559 D C 1.564 177.862 176.300 -0.003 0.000 0.984 559 D CA 1.349 55.396 54.000 0.079 0.000 0.834 559 D CB 0.050 40.895 40.800 0.075 0.000 0.955 559 D HN 0.421 nan 8.370 nan 0.000 0.465 560 R N 0.571 121.070 120.500 -0.001 0.000 2.073 560 R HA -0.070 4.271 4.340 0.000 0.000 0.234 560 R C 1.893 178.162 176.300 -0.051 0.000 1.134 560 R CA 0.976 57.050 56.100 -0.043 0.000 0.952 560 R CB -0.214 30.046 30.300 -0.066 0.000 0.850 560 R HN 0.333 nan 8.270 nan 0.000 0.433 561 E N 0.378 120.567 120.200 -0.017 0.000 2.481 561 E HA -0.090 4.260 4.350 0.000 0.000 0.195 561 E C 1.516 178.072 176.600 -0.074 0.000 1.047 561 E CA 0.078 56.466 56.400 -0.020 0.000 0.867 561 E CB 0.175 29.905 29.700 0.050 0.000 0.858 561 E HN 0.091 nan 8.360 nan 0.000 0.513 562 L N 1.198 122.339 121.223 -0.135 0.000 2.127 562 L HA -0.084 4.257 4.340 0.000 0.000 0.203 562 L C 1.944 178.674 176.870 -0.234 0.000 1.080 562 L CA 1.641 56.309 54.840 -0.286 0.000 0.768 562 L CB -0.064 41.658 42.059 -0.562 0.000 0.924 562 L HN 0.044 nan 8.230 nan 0.000 0.444 563 D N -0.807 119.498 120.400 -0.159 0.000 2.219 563 D HA -0.195 4.445 4.640 0.000 0.000 0.205 563 D C 1.667 177.909 176.300 -0.097 0.000 0.970 563 D CA 0.683 54.617 54.000 -0.110 0.000 0.851 563 D CB 0.358 41.117 40.800 -0.069 0.000 0.943 563 D HN 0.184 nan 8.370 nan 0.000 0.488 564 K N 0.714 121.053 120.400 -0.102 0.000 1.965 564 K HA -0.159 4.161 4.320 0.000 0.000 0.218 564 K C 2.302 178.826 176.600 -0.126 0.000 1.048 564 K CA 0.361 56.591 56.287 -0.095 0.000 0.960 564 K CB -1.259 31.189 32.500 -0.086 0.000 0.732 564 K HN 0.175 nan 8.250 nan 0.000 0.444 565 L N 2.008 123.125 121.223 -0.177 0.000 2.010 565 L HA -0.254 4.087 4.340 0.000 0.000 0.219 565 L C 1.972 178.676 176.870 -0.276 0.000 1.077 565 L CA 2.876 57.562 54.840 -0.256 0.000 0.773 565 L CB -1.047 40.828 42.059 -0.308 0.000 0.892 565 L HN 0.333 nan 8.230 nan 0.000 0.436 566 K N -1.241 118.976 120.400 -0.305 0.000 2.968 566 K HA 0.336 4.657 4.320 0.000 0.000 0.249 566 K C 1.295 177.914 176.600 0.032 0.000 1.062 566 K CA 0.716 56.821 56.287 -0.302 0.000 1.215 566 K CB -0.949 31.320 32.500 -0.385 0.000 1.097 566 K HN 0.639 nan 8.250 nan 0.000 0.462 567 S N -1.739 113.967 115.700 0.009 0.000 2.700 567 S HA 0.118 4.588 4.470 0.000 0.000 0.272 567 S C -0.001 174.621 174.600 0.037 0.000 1.052 567 S CA 0.031 58.263 58.200 0.053 0.000 1.317 567 S CB 0.256 63.466 63.200 0.018 0.000 1.212 567 S HN 0.492 nan 8.310 nan 0.000 0.675 568 E N 1.050 121.254 120.200 0.006 0.000 3.575 568 E HA 0.380 4.731 4.350 0.000 0.000 0.201 568 E C -1.161 175.440 176.600 0.002 0.000 0.999 568 E CA -0.004 56.394 56.400 -0.002 0.000 1.315 568 E CB 1.013 30.692 29.700 -0.035 0.000 1.146 568 E HN 0.359 nan 8.360 nan 0.000 0.453 569 L N 0.991 122.255 121.223 0.067 0.000 2.783 569 L HA 0.198 4.538 4.340 0.000 0.000 0.265 569 L C 1.433 178.394 176.870 0.152 0.000 1.398 569 L CA 0.017 54.920 54.840 0.106 0.000 0.802 569 L CB -0.082 42.053 42.059 0.126 0.000 1.126 569 L HN 0.343 nan 8.230 nan 0.000 0.529 570 N N 1.590 120.346 118.700 0.093 0.000 2.009 570 N HA -0.274 4.466 4.740 0.000 0.000 0.166 570 N C -0.630 174.925 175.510 0.074 0.000 0.837 570 N CA 2.634 55.727 53.050 0.072 0.000 0.866 570 N CB -2.321 36.194 38.487 0.046 0.000 0.972 570 N HN 0.318 nan 8.380 nan 0.000 0.987 571 P HA -0.028 nan 4.420 nan 0.000 0.221 571 P C -0.027 177.299 177.300 0.044 0.000 1.141 571 P CA 1.507 64.636 63.100 0.048 0.000 0.794 571 P CB -0.760 30.971 31.700 0.050 0.000 0.764 572 T N -0.333 114.268 114.554 0.078 0.000 2.773 572 T HA -0.141 4.209 4.350 0.000 0.000 0.474 572 T C -2.352 172.339 174.700 -0.015 0.000 0.782 572 T CA -0.116 62.004 62.100 0.033 0.000 2.454 572 T CB -1.664 67.168 68.868 -0.060 0.000 1.629 572 T HN 0.223 nan 8.240 nan 0.000 0.500 573 P HA 0.537 nan 4.420 nan 0.000 0.297 573 P C 0.307 177.607 177.300 -0.001 0.000 1.331 573 P CA -0.471 62.629 63.100 -0.000 0.000 0.803 573 P CB 0.552 32.268 31.700 0.027 0.000 0.929 574 K N 3.035 123.382 120.400 -0.088 0.000 2.602 574 K HA -0.115 4.205 4.320 0.000 0.000 0.272 574 K C -0.146 176.499 176.600 0.074 0.000 0.993 574 K CA 0.629 56.829 56.287 -0.146 0.000 1.067 574 K CB -0.494 31.938 32.500 -0.113 0.000 0.805 574 K HN 0.449 nan 8.250 nan 0.000 0.480 575 W N 1.530 122.814 121.300 -0.027 0.000 2.315 575 W HA 0.418 5.078 4.660 0.000 0.000 0.316 575 W C 1.724 178.218 176.519 -0.042 0.000 1.211 575 W CA -0.947 56.379 57.345 -0.032 0.000 1.201 575 W CB 0.992 30.434 29.460 -0.031 0.000 1.184 575 W HN 0.884 nan 8.180 nan 0.000 0.544 576 S N 4.004 119.808 115.700 0.174 0.000 2.345 576 S HA -0.109 4.362 4.470 0.000 0.000 0.219 576 S C 1.009 175.647 174.600 0.064 0.000 1.031 576 S CA 0.703 58.949 58.200 0.076 0.000 0.984 576 S CB -0.473 62.736 63.200 0.015 0.000 0.874 576 S HN 0.485 nan 8.310 nan 0.000 0.451 577 I N 0.916 121.504 120.570 0.029 0.000 6.340 577 I HA -0.217 3.953 4.170 0.000 0.000 0.126 577 I C -0.346 175.768 176.117 -0.005 0.000 1.427 577 I CA 0.115 61.412 61.300 -0.005 0.000 2.506 577 I CB -0.961 37.050 38.000 0.018 0.000 2.696 577 I HN 0.436 nan 8.210 nan 0.000 0.291 578 A N 7.533 130.310 122.820 -0.071 0.000 2.256 578 A HA 0.918 5.238 4.320 0.000 0.000 0.318 578 A C 0.026 177.453 177.584 -0.263 0.000 1.103 578 A CA -0.145 51.793 52.037 -0.165 0.000 0.860 578 A CB 1.336 20.190 19.000 -0.244 0.000 1.182 578 A HN 0.906 nan 8.150 nan 0.000 0.501 579 R N -0.540 119.717 120.500 -0.405 0.000 2.774 579 R HA 0.590 4.930 4.340 0.000 0.000 0.272 579 R C -2.346 173.617 176.300 -0.561 0.000 1.000 579 R CA -0.542 55.245 56.100 -0.522 0.000 0.906 579 R CB 1.273 31.487 30.300 -0.142 0.000 1.227 579 R HN 0.706 nan 8.270 nan 0.000 0.468 580 Y N 2.702 122.891 120.300 -0.186 0.000 2.488 580 Y HA 0.236 4.786 4.550 0.000 0.000 0.330 580 Y C 0.866 176.677 175.900 -0.149 0.000 1.013 580 Y CA -0.843 57.183 58.100 -0.123 0.000 1.304 580 Y CB 2.034 40.439 38.460 -0.091 0.000 1.098 580 Y HN 0.664 nan 8.280 nan 0.000 0.498 581 K N 2.057 122.456 120.400 -0.001 0.000 2.211 581 K HA 0.108 4.428 4.320 0.000 0.000 0.203 581 K C 0.514 177.116 176.600 0.003 0.000 1.050 581 K CA 1.100 57.353 56.287 -0.056 0.000 0.945 581 K CB 0.147 32.594 32.500 -0.088 0.000 0.732 581 K HN 0.844 nan 8.250 nan 0.000 0.451 582 G N -0.658 108.163 108.800 0.034 0.000 2.601 582 G HA2 0.275 4.235 3.960 0.000 0.000 0.291 582 G HA3 0.275 4.235 3.960 0.000 0.000 0.291 582 G C -0.116 174.784 174.900 -0.001 0.000 1.456 582 G CA -0.819 44.294 45.100 0.021 0.000 0.804 582 G HN 0.054 nan 8.290 nan 0.000 0.499 583 L N 0.601 121.808 121.223 -0.026 0.000 2.549 583 L HA 0.135 4.475 4.340 0.000 0.000 0.229 583 L C 2.465 179.290 176.870 -0.075 0.000 1.158 583 L CA 1.147 55.943 54.840 -0.074 0.000 0.842 583 L CB -0.179 41.843 42.059 -0.062 0.000 0.952 583 L HN 0.636 nan 8.230 nan 0.000 0.452 584 G N -0.443 108.334 108.800 -0.037 0.000 2.813 584 G HA2 -0.135 3.825 3.960 0.000 0.000 0.209 584 G HA3 -0.135 3.825 3.960 0.000 0.000 0.209 584 G C 1.391 176.280 174.900 -0.019 0.000 1.150 584 G CA 0.073 45.157 45.100 -0.026 0.000 0.785 584 G HN 0.456 nan 8.290 nan 0.000 0.535 585 E N -0.576 119.614 120.200 -0.016 0.000 2.400 585 E HA 0.213 4.563 4.350 0.000 0.000 0.195 585 E C 1.015 177.592 176.600 -0.038 0.000 1.012 585 E CA -0.271 56.155 56.400 0.043 0.000 0.875 585 E CB -0.002 29.799 29.700 0.169 0.000 0.859 585 E HN 0.265 nan 8.360 nan 0.000 0.498 586 M N 2.004 121.463 119.600 -0.235 0.000 2.120 586 M HA 0.144 4.624 4.480 0.000 0.000 0.354 586 M C -0.289 175.912 176.300 -0.164 0.000 1.287 586 M CA -0.554 54.513 55.300 -0.389 0.000 1.103 586 M CB 0.979 33.262 32.600 -0.529 0.000 1.623 586 M HN -0.041 nan 8.290 nan 0.000 0.471 587 N N 1.475 120.119 118.700 -0.093 0.000 2.305 587 N HA -0.026 4.715 4.740 0.000 0.000 0.232 587 N C 0.732 176.218 175.510 -0.041 0.000 1.274 587 N CA 0.317 53.345 53.050 -0.037 0.000 0.870 587 N CB 0.679 39.167 38.487 0.001 0.000 1.105 587 N HN 0.815 nan 8.380 nan 0.000 0.436 588 A N 1.516 124.323 122.820 -0.022 0.000 1.877 588 A HA -0.214 4.106 4.320 0.000 0.000 0.216 588 A C 1.648 179.245 177.584 0.021 0.000 1.186 588 A CA 1.964 53.990 52.037 -0.017 0.000 0.620 588 A CB -0.447 18.537 19.000 -0.027 0.000 0.822 588 A HN 0.862 nan 8.150 nan 0.000 0.443 589 D N 0.282 120.706 120.400 0.039 0.000 2.117 589 D HA -0.281 4.360 4.640 0.000 0.000 0.197 589 D C 1.957 178.337 176.300 0.133 0.000 0.987 589 D CA 1.616 55.680 54.000 0.107 0.000 0.829 589 D CB -0.910 39.943 40.800 0.089 0.000 0.961 589 D HN 0.798 nan 8.370 nan 0.000 0.460 590 Q N -0.146 119.688 119.800 0.056 0.000 2.297 590 Q HA -0.066 4.275 4.340 0.000 0.000 0.204 590 Q C 2.230 178.203 176.000 -0.046 0.000 0.962 590 Q CA 0.291 56.104 55.803 0.017 0.000 0.879 590 Q CB -0.247 28.509 28.738 0.030 0.000 0.947 590 Q HN 0.177 nan 8.270 nan 0.000 0.462 591 L N 1.101 122.299 121.223 -0.041 0.000 2.027 591 L HA -0.109 4.232 4.340 0.000 0.000 0.206 591 L C 2.057 178.923 176.870 -0.006 0.000 1.074 591 L CA 1.831 56.629 54.840 -0.070 0.000 0.745 591 L CB -1.190 40.824 42.059 -0.074 0.000 0.898 591 L HN 0.635 nan 8.230 nan 0.000 0.433 592 W N 0.308 121.543 121.300 -0.108 0.000 2.699 592 W HA -0.080 4.580 4.660 0.001 0.000 0.249 592 W C 1.039 177.539 176.519 -0.031 0.000 1.280 592 W CA 0.730 58.025 57.345 -0.082 0.000 1.345 592 W CB 0.125 29.548 29.460 -0.062 0.000 1.128 592 W HN 0.277 nan 8.180 nan 0.000 0.642 593 E N 0.032 120.139 120.200 -0.155 0.000 2.498 593 E HA -0.008 4.343 4.350 0.000 0.000 0.203 593 E C 1.384 177.858 176.600 -0.210 0.000 1.013 593 E CA 1.011 57.276 56.400 -0.224 0.000 0.927 593 E CB 0.478 30.128 29.700 -0.083 0.000 1.012 593 E HN 0.315 nan 8.360 nan 0.000 0.482 594 T N -4.064 110.358 114.554 -0.219 0.000 3.087 594 T HA 0.215 4.565 4.350 0.000 0.000 0.283 594 T C 1.214 175.813 174.700 -0.169 0.000 0.956 594 T CA -0.046 61.897 62.100 -0.261 0.000 0.894 594 T CB 0.575 69.174 68.868 -0.447 0.000 1.160 594 T HN -0.141 nan 8.240 nan 0.000 0.532 595 T N 0.026 114.490 114.554 -0.151 0.000 3.265 595 T HA 0.405 4.755 4.350 0.000 0.000 0.263 595 T C 1.230 175.859 174.700 -0.118 0.000 0.862 595 T CA -0.123 61.915 62.100 -0.104 0.000 0.900 595 T CB 0.175 68.985 68.868 -0.098 0.000 1.260 595 T HN 0.131 nan 8.240 nan 0.000 0.547 596 M N 0.718 120.211 119.600 -0.179 0.000 2.961 596 M HA 0.346 4.826 4.480 0.000 0.000 0.224 596 M C 0.486 176.613 176.300 -0.289 0.000 1.418 596 M CA -0.059 55.154 55.300 -0.144 0.000 1.341 596 M CB -0.289 32.305 32.600 -0.009 0.000 1.087 596 M HN 0.042 nan 8.290 nan 0.000 0.554 597 N N 2.224 120.364 118.700 -0.933 0.000 1.960 597 N HA -0.110 4.630 4.740 0.000 0.000 0.299 597 N C -2.141 173.027 175.510 -0.571 0.000 1.267 597 N CA -0.071 52.159 53.050 -1.368 0.000 0.802 597 N CB 0.561 38.008 38.487 -1.733 0.000 1.031 597 N HN -0.026 nan 8.380 nan 0.000 0.490 598 P HA -0.113 nan 4.420 nan 0.000 0.220 598 P C 0.591 177.727 177.300 -0.273 0.000 1.148 598 P CA 1.155 64.124 63.100 -0.218 0.000 0.803 598 P CB 0.206 31.843 31.700 -0.105 0.000 0.782 599 E N -1.353 118.585 120.200 -0.437 0.000 2.152 599 E HA -0.156 4.195 4.350 0.000 0.000 0.192 599 E C 1.230 177.528 176.600 -0.502 0.000 0.983 599 E CA 1.106 57.195 56.400 -0.518 0.000 0.818 599 E CB -0.502 28.774 29.700 -0.707 0.000 0.758 599 E HN 0.568 nan 8.360 nan 0.000 0.467 600 H N 0.182 119.152 119.070 -0.167 0.000 3.255 600 H HA 0.162 4.718 4.556 0.000 0.000 0.256 600 H C 0.914 176.167 175.328 -0.126 0.000 1.049 600 H CA -0.125 55.844 56.048 -0.133 0.000 1.202 600 H CB 0.401 30.072 29.762 -0.151 0.000 1.497 600 H HN 0.073 nan 8.280 nan 0.000 0.503 601 R N 1.404 121.859 120.500 -0.076 0.000 2.827 601 R HA 0.428 4.768 4.340 0.000 0.000 0.269 601 R C 0.139 176.413 176.300 -0.044 0.000 1.048 601 R CA 0.384 56.440 56.100 -0.073 0.000 1.173 601 R CB 0.420 30.653 30.300 -0.112 0.000 1.070 601 R HN 0.027 nan 8.270 nan 0.000 0.498 602 A N 2.743 125.544 122.820 -0.030 0.000 2.956 602 A HA 0.273 4.593 4.320 0.000 0.000 0.294 602 A C -0.121 177.462 177.584 -0.002 0.000 0.993 602 A CA -0.764 51.262 52.037 -0.018 0.000 1.032 602 A CB 0.064 19.051 19.000 -0.023 0.000 1.129 602 A HN 0.582 nan 8.150 nan 0.000 0.505 603 L N 1.323 122.543 121.223 -0.005 0.000 2.562 603 L HA 0.121 4.461 4.340 0.000 0.000 0.271 603 L C -0.139 176.797 176.870 0.111 0.000 1.167 603 L CA 0.156 55.020 54.840 0.040 0.000 0.917 603 L CB 0.420 42.436 42.059 -0.071 0.000 1.187 603 L HN 0.392 nan 8.230 nan 0.000 0.482 604 L N 4.731 126.030 121.223 0.127 0.000 2.418 604 L HA 0.178 4.518 4.340 0.000 0.000 0.274 604 L C 0.445 177.443 176.870 0.212 0.000 1.135 604 L CA 0.163 55.082 54.840 0.132 0.000 0.870 604 L CB 0.443 42.553 42.059 0.084 0.000 1.154 604 L HN 0.665 nan 8.230 nan 0.000 0.462 605 Q N 2.348 122.262 119.800 0.191 0.000 2.222 605 Q HA 0.435 4.775 4.340 0.000 0.000 0.252 605 Q C -1.169 174.828 176.000 -0.004 0.000 0.926 605 Q CA -0.702 55.142 55.803 0.069 0.000 0.899 605 Q CB 2.322 31.078 28.738 0.030 0.000 1.250 605 Q HN 0.443 nan 8.270 nan 0.000 0.441 606 V N 2.089 121.960 119.914 -0.072 0.000 2.370 606 V HA 0.515 4.635 4.120 0.000 0.000 0.279 606 V C 0.171 176.250 176.094 -0.025 0.000 1.029 606 V CA -0.582 61.707 62.300 -0.017 0.000 0.870 606 V CB 0.646 32.474 31.823 0.009 0.000 0.984 606 V HN 0.776 nan 8.190 nan 0.000 0.451 607 K N 4.038 124.440 120.400 0.003 0.000 2.221 607 K HA 0.806 5.126 4.320 0.000 0.000 0.258 607 K C -0.931 175.684 176.600 0.026 0.000 0.944 607 K CA -0.747 55.544 56.287 0.006 0.000 0.823 607 K CB 1.740 34.245 32.500 0.009 0.000 1.113 607 K HN 0.691 nan 8.250 nan 0.000 0.431 608 L N 1.837 123.077 121.223 0.028 0.000 2.326 608 L HA 0.401 4.742 4.340 0.000 0.000 0.278 608 L C 0.573 177.465 176.870 0.037 0.000 1.092 608 L CA 0.092 54.963 54.840 0.052 0.000 0.810 608 L CB 0.987 43.084 42.059 0.064 0.000 1.153 608 L HN 0.903 nan 8.230 nan 0.000 0.439 609 E N 2.219 122.444 120.200 0.042 0.000 3.700 609 E HA 0.113 4.463 4.350 0.000 0.000 0.357 609 E C -0.718 175.900 176.600 0.030 0.000 0.577 609 E CA -0.348 56.069 56.400 0.029 0.000 1.888 609 E CB -0.221 29.493 29.700 0.024 0.000 2.230 609 E HN 0.710 nan 8.360 nan 0.000 0.479 610 D N 0.263 120.679 120.400 0.027 0.000 2.359 610 D HA 0.210 4.850 4.640 0.000 0.000 0.250 610 D C 0.151 176.474 176.300 0.039 0.000 1.264 610 D CA 0.043 54.058 54.000 0.025 0.000 0.911 610 D CB 0.517 41.327 40.800 0.017 0.000 1.056 610 D HN 0.371 nan 8.370 nan 0.000 0.499 611 A N 4.695 127.544 122.820 0.049 0.000 2.255 611 A HA 0.010 4.331 4.320 0.000 0.000 0.206 611 A C 1.540 179.166 177.584 0.070 0.000 1.193 611 A CA 0.252 52.339 52.037 0.083 0.000 0.794 611 A CB -0.313 18.734 19.000 0.080 0.000 0.794 611 A HN 0.697 nan 8.150 nan 0.000 0.481 612 I N -1.289 119.305 120.570 0.041 0.000 3.462 612 I HA 0.041 4.211 4.170 0.000 0.000 0.290 612 I C 1.732 177.865 176.117 0.026 0.000 1.236 612 I CA 0.802 62.120 61.300 0.030 0.000 1.418 612 I CB -0.446 37.563 38.000 0.016 0.000 1.102 612 I HN 0.394 nan 8.210 nan 0.000 0.441 613 E N 0.760 120.973 120.200 0.022 0.000 2.498 613 E HA 0.203 4.553 4.350 0.000 0.000 0.203 613 E C 1.668 178.268 176.600 0.000 0.000 1.013 613 E CA 0.053 56.456 56.400 0.005 0.000 0.927 613 E CB 0.718 30.417 29.700 -0.001 0.000 1.012 613 E HN 0.293 nan 8.360 nan 0.000 0.482 614 A N 0.563 123.402 122.820 0.032 0.000 2.238 614 A HA 0.008 4.329 4.320 0.000 0.000 0.210 614 A C 1.453 179.084 177.584 0.078 0.000 1.179 614 A CA 0.386 52.447 52.037 0.040 0.000 0.827 614 A CB 0.277 19.310 19.000 0.054 0.000 0.856 614 A HN 0.044 nan 8.150 nan 0.000 0.488 615 D N -1.241 119.216 120.400 0.095 0.000 2.369 615 D HA -0.081 4.560 4.640 0.000 0.000 0.231 615 D C 1.842 178.189 176.300 0.079 0.000 0.967 615 D CA 0.467 54.538 54.000 0.117 0.000 0.905 615 D CB -0.135 40.730 40.800 0.109 0.000 1.044 615 D HN 0.281 nan 8.370 nan 0.000 0.487 616 Q N 1.045 120.865 119.800 0.033 0.000 2.248 616 Q HA -0.132 4.208 4.340 0.000 0.000 0.208 616 Q C 1.657 177.627 176.000 -0.050 0.000 0.984 616 Q CA 1.269 57.070 55.803 -0.004 0.000 0.875 616 Q CB -0.191 28.541 28.738 -0.010 0.000 0.910 616 Q HN 0.168 nan 8.270 nan 0.000 0.433 617 T N -0.213 114.296 114.554 -0.075 0.000 2.937 617 T HA 0.001 4.351 4.350 0.000 0.000 0.260 617 T C 1.322 175.808 174.700 -0.356 0.000 1.051 617 T CA 0.705 62.661 62.100 -0.240 0.000 1.141 617 T CB -0.189 68.494 68.868 -0.308 0.000 0.879 617 T HN 0.219 nan 8.240 nan 0.000 0.459 618 F N 1.595 121.402 119.950 -0.237 0.000 2.163 618 F HA 0.091 4.619 4.527 0.000 0.000 0.297 618 F C 2.418 178.119 175.800 -0.165 0.000 1.094 618 F CA 0.743 58.610 58.000 -0.221 0.000 1.290 618 F CB -0.358 38.520 39.000 -0.203 0.000 1.017 618 F HN 0.169 nan 8.300 nan 0.000 0.483 619 E N 0.262 120.494 120.200 0.053 0.000 2.333 619 E HA -0.278 4.072 4.350 0.000 0.000 0.200 619 E C 2.027 178.590 176.600 -0.061 0.000 1.010 619 E CA 1.208 57.611 56.400 0.004 0.000 0.841 619 E CB -0.159 29.549 29.700 0.013 0.000 0.757 619 E HN 0.516 nan 8.360 nan 0.000 0.508 620 M N -0.734 118.781 119.600 -0.143 0.000 2.567 620 M HA 0.089 4.569 4.480 0.000 0.000 0.261 620 M C 1.179 177.283 176.300 -0.326 0.000 1.180 620 M CA 0.418 55.597 55.300 -0.202 0.000 1.143 620 M CB 0.461 32.923 32.600 -0.228 0.000 1.319 620 M HN 0.082 nan 8.290 nan 0.000 0.490 621 L N -0.455 120.498 121.223 -0.450 0.000 2.488 621 L HA 0.171 4.511 4.340 0.000 0.000 0.186 621 L C 1.717 178.269 176.870 -0.530 0.000 1.124 621 L CA 0.211 54.619 54.840 -0.720 0.000 0.838 621 L CB -0.225 41.250 42.059 -0.973 0.000 1.107 621 L HN 0.260 nan 8.230 nan 0.000 0.494 622 M N 0.500 119.915 119.600 -0.309 0.000 2.494 622 M HA 0.198 4.678 4.480 0.000 0.000 0.232 622 M C 0.960 177.259 176.300 -0.002 0.000 1.137 622 M CA 0.047 55.294 55.300 -0.088 0.000 1.012 622 M CB -1.017 31.610 32.600 0.044 0.000 1.567 622 M HN 0.075 nan 8.290 nan 0.000 0.486 623 G N 1.423 110.204 108.800 -0.032 0.000 2.653 623 G HA2 0.198 4.158 3.960 0.000 0.000 0.265 623 G HA3 0.198 4.158 3.960 0.000 0.000 0.265 623 G C 0.356 175.269 174.900 0.022 0.000 1.237 623 G CA -0.280 44.825 45.100 0.008 0.000 0.946 623 G HN 0.446 nan 8.290 nan 0.000 0.522 624 D N -1.501 118.918 120.400 0.031 0.000 2.339 624 D HA -0.009 4.631 4.640 0.000 0.000 0.217 624 D C 0.947 177.267 176.300 0.033 0.000 1.050 624 D CA -0.185 53.837 54.000 0.038 0.000 0.856 624 D CB -0.206 40.617 40.800 0.038 0.000 0.922 624 D HN 0.119 nan 8.370 nan 0.000 0.518 625 V N 0.141 120.070 119.914 0.025 0.000 2.863 625 V HA 0.216 4.336 4.120 0.000 0.000 0.307 625 V C 1.516 177.631 176.094 0.035 0.000 1.061 625 V CA -0.828 61.488 62.300 0.026 0.000 1.024 625 V CB 1.841 33.675 31.823 0.018 0.000 1.049 625 V HN -0.100 nan 8.190 nan 0.000 0.471 626 V N 0.600 120.539 119.914 0.041 0.000 2.599 626 V HA 0.033 4.153 4.120 0.000 0.000 0.237 626 V C 2.236 178.365 176.094 0.059 0.000 1.081 626 V CA 0.907 63.241 62.300 0.055 0.000 1.107 626 V CB -0.368 31.486 31.823 0.053 0.000 0.808 626 V HN 0.945 nan 8.190 nan 0.000 0.486 627 E N 1.625 121.854 120.200 0.049 0.000 2.097 627 E HA -0.261 4.090 4.350 0.000 0.000 0.196 627 E C 1.852 178.488 176.600 0.060 0.000 1.000 627 E CA 1.882 58.314 56.400 0.053 0.000 0.804 627 E CB -0.532 29.192 29.700 0.041 0.000 0.740 627 E HN 0.542 nan 8.360 nan 0.000 0.454 628 N N -0.342 118.385 118.700 0.046 0.000 2.348 628 N HA -0.148 4.592 4.740 0.000 0.000 0.185 628 N C 1.531 177.076 175.510 0.059 0.000 1.019 628 N CA 1.187 54.261 53.050 0.039 0.000 0.880 628 N CB -0.093 38.398 38.487 0.007 0.000 0.965 628 N HN 0.145 nan 8.380 nan 0.000 0.437 629 R N -0.320 120.226 120.500 0.077 0.000 2.307 629 R HA 0.242 4.582 4.340 0.000 0.000 0.200 629 R C 1.770 178.197 176.300 0.211 0.000 0.893 629 R CA -0.021 56.156 56.100 0.128 0.000 1.042 629 R CB 0.302 30.657 30.300 0.092 0.000 1.059 629 R HN 0.007 nan 8.270 nan 0.000 0.530 630 R N 0.040 120.631 120.500 0.152 0.000 2.210 630 R HA -0.042 4.298 4.340 0.000 0.000 0.203 630 R C 1.604 177.982 176.300 0.131 0.000 1.010 630 R CA 0.895 57.078 56.100 0.139 0.000 1.008 630 R CB 0.308 30.667 30.300 0.098 0.000 0.923 630 R HN 0.095 nan 8.270 nan 0.000 0.469 631 Q N -0.087 119.793 119.800 0.133 0.000 2.083 631 Q HA -0.125 4.216 4.340 0.000 0.000 0.198 631 Q C 1.612 177.700 176.000 0.148 0.000 0.969 631 Q CA 1.480 57.352 55.803 0.116 0.000 0.838 631 Q CB -0.422 28.375 28.738 0.098 0.000 0.900 631 Q HN 0.304 nan 8.270 nan 0.000 0.436 632 F N -0.058 119.915 119.950 0.039 0.000 2.095 632 F HA -0.192 4.335 4.527 0.000 0.000 0.298 632 F C 1.593 177.429 175.800 0.059 0.000 1.104 632 F CA 1.211 59.234 58.000 0.039 0.000 1.232 632 F CB -0.440 38.576 39.000 0.026 0.000 0.987 632 F HN 0.147 nan 8.300 nan 0.000 0.475 633 I N 1.103 121.703 120.570 0.051 0.000 2.087 633 I HA -0.349 3.822 4.170 0.000 0.000 0.240 633 I C 2.572 178.641 176.117 -0.079 0.000 1.054 633 I CA 2.192 63.465 61.300 -0.045 0.000 1.311 633 I CB -0.832 37.230 38.000 0.103 0.000 1.024 633 I HN 0.321 nan 8.210 nan 0.000 0.402 634 E N -0.173 120.030 120.200 0.005 0.000 2.265 634 E HA -0.237 4.113 4.350 0.000 0.000 0.196 634 E C 1.322 177.916 176.600 -0.010 0.000 0.996 634 E CA 1.252 57.671 56.400 0.031 0.000 0.832 634 E CB 0.085 29.815 29.700 0.050 0.000 0.756 634 E HN 0.495 nan 8.360 nan 0.000 0.491 635 D N 0.106 120.463 120.400 -0.072 0.000 2.197 635 D HA -0.035 4.605 4.640 0.000 0.000 0.212 635 D C 0.723 176.941 176.300 -0.137 0.000 0.963 635 D CA 0.678 54.631 54.000 -0.079 0.000 0.864 635 D CB -0.112 40.661 40.800 -0.046 0.000 1.009 635 D HN 0.074 nan 8.370 nan 0.000 0.479 636 N N 0.662 119.186 118.700 -0.293 0.000 2.346 636 N HA 0.262 5.003 4.740 0.000 0.000 0.225 636 N C -0.439 174.931 175.510 -0.232 0.000 1.144 636 N CA -0.100 52.784 53.050 -0.277 0.000 0.837 636 N CB 0.228 38.456 38.487 -0.431 0.000 1.069 636 N HN 0.032 nan 8.380 nan 0.000 0.487 637 A N 0.062 122.764 122.820 -0.196 0.000 2.462 637 A HA 0.309 4.629 4.320 0.000 0.000 0.243 637 A C 0.140 177.572 177.584 -0.254 0.000 1.076 637 A CA -0.004 51.861 52.037 -0.286 0.000 0.773 637 A CB 0.451 19.340 19.000 -0.185 0.000 1.010 637 A HN 0.092 nan 8.150 nan 0.000 0.493 638 V N 4.226 123.896 119.914 -0.408 0.000 2.380 638 V HA 0.175 4.295 4.120 0.000 0.000 0.268 638 V C -1.351 174.562 176.094 -0.302 0.000 1.008 638 V CA -0.158 62.005 62.300 -0.229 0.000 0.823 638 V CB -0.254 31.478 31.823 -0.152 0.000 1.053 638 V HN 0.760 nan 8.190 nan 0.000 0.446 639 Y N 2.132 122.431 120.300 -0.000 0.000 2.477 639 Y HA 0.527 5.077 4.550 0.000 0.000 0.349 639 Y C 1.167 177.062 175.900 -0.008 0.000 0.977 639 Y CA -0.165 57.928 58.100 -0.011 0.000 1.214 639 Y CB 1.301 39.754 38.460 -0.012 0.000 1.124 639 Y HN 0.747 nan 8.280 nan 0.000 0.521 640 A N 1.999 124.882 122.820 0.106 0.000 2.103 640 A HA -0.293 4.027 4.320 0.000 0.000 0.269 640 A C 0.502 178.115 177.584 0.047 0.000 1.346 640 A CA 1.034 53.103 52.037 0.052 0.000 0.755 640 A CB -2.102 16.930 19.000 0.054 0.000 1.146 640 A HN 0.984 nan 8.150 nan 0.000 0.330 641 N N -0.048 118.662 118.700 0.018 0.000 2.408 641 N HA 0.634 5.374 4.740 0.000 0.000 0.260 641 N C 1.427 176.949 175.510 0.021 0.000 1.242 641 N CA -0.034 53.045 53.050 0.047 0.000 0.959 641 N CB 0.228 38.751 38.487 0.061 0.000 1.201 641 N HN 1.569 nan 8.380 nan 0.000 0.511 642 L N -3.350 117.920 121.223 0.077 0.000 2.456 642 L HA 0.209 4.549 4.340 0.000 0.000 0.224 642 L C -0.817 176.068 176.870 0.026 0.000 1.148 642 L CA 0.725 55.601 54.840 0.059 0.000 0.825 642 L CB -0.516 41.595 42.059 0.088 0.000 0.937 642 L HN 0.539 nan 8.230 nan 0.000 0.450 643 D N 0.355 120.735 120.400 -0.033 0.000 4.419 643 D HA -0.088 4.553 4.640 0.000 0.000 0.222 643 D C -0.715 175.550 176.300 -0.059 0.000 1.438 643 D CA 1.122 55.012 54.000 -0.183 0.000 1.016 643 D CB -1.149 39.581 40.800 -0.117 0.000 0.451 643 D HN 0.405 nan 8.370 nan 0.000 0.205 1003 E N -0.450 119.810 120.200 0.100 0.000 2.869 1003 E HA 0.724 5.074 4.350 0.000 0.000 0.207 1003 E C 0.344 176.980 176.600 0.061 0.000 0.986 1003 E CA 0.364 56.827 56.400 0.104 0.000 1.131 1003 E CB -0.085 29.692 29.700 0.130 0.000 1.098 1003 E HN 1.242 nan 8.360 nan 0.000 0.459 1004 L N -2.919 118.330 121.223 0.044 0.000 1.478 1004 L HA -0.037 4.303 4.340 0.000 0.000 0.500 1004 L C -2.500 174.384 176.870 0.024 0.000 0.764 1004 L CA 0.282 55.141 54.840 0.031 0.000 2.499 1004 L CB -0.340 41.736 42.059 0.029 0.000 1.102 1004 L HN 0.269 nan 8.230 nan 0.000 0.570 1005 P HA 0.332 nan 4.420 nan 0.000 0.295 1005 P C 0.022 177.327 177.300 0.009 0.000 1.397 1005 P CA 0.323 63.433 63.100 0.017 0.000 0.903 1005 P CB 1.731 33.443 31.700 0.021 0.000 1.028 1006 Q N 2.982 122.783 119.800 0.002 0.000 2.049 1006 Q HA -0.375 3.966 4.340 0.000 0.000 0.409 1006 Q C -0.159 175.846 176.000 0.008 0.000 0.726 1006 Q CA 2.167 57.973 55.803 0.005 0.000 0.896 1006 Q CB -1.562 27.183 28.738 0.011 0.000 3.134 1006 Q HN 0.491 nan 8.270 nan 0.000 0.836 1007 S N 0.782 116.490 115.700 0.013 0.000 3.477 1007 S HA -0.190 4.280 4.470 0.000 0.000 0.426 1007 S C -0.530 174.078 174.600 0.014 0.000 0.874 1007 S CA 0.972 59.180 58.200 0.014 0.000 1.341 1007 S CB -0.718 62.491 63.200 0.016 0.000 0.917 1007 S HN 0.379 nan 8.310 nan 0.000 0.607 1008 R N 2.220 122.728 120.500 0.013 0.000 3.844 1008 R HA 0.021 4.361 4.340 0.000 0.000 0.267 1008 R C 0.171 176.480 176.300 0.015 0.000 0.940 1008 R CA 0.825 56.933 56.100 0.014 0.000 0.946 1008 R CB -1.262 29.046 30.300 0.014 0.000 0.995 1008 R HN 0.613 nan 8.270 nan 0.000 0.395 1009 I N 2.192 122.771 120.570 0.016 0.000 2.630 1009 I HA -0.014 4.156 4.170 0.000 0.000 0.279 1009 I C -0.551 175.582 176.117 0.026 0.000 1.235 1009 I CA -0.476 60.837 61.300 0.021 0.000 1.096 1009 I CB 1.702 39.715 38.000 0.022 0.000 1.318 1009 I HN 0.222 nan 8.210 nan 0.000 0.457 1010 N N 6.093 124.812 118.700 0.033 0.000 3.193 1010 N HA 0.077 4.817 4.740 0.000 0.000 0.312 1010 N C -0.363 175.189 175.510 0.069 0.000 1.261 1010 N CA 0.295 53.372 53.050 0.045 0.000 1.208 1010 N CB 0.161 38.674 38.487 0.044 0.000 1.471 1010 N HN 0.638 nan 8.380 nan 0.000 0.548 1011 E N 0.401 120.633 120.200 0.053 0.000 2.321 1011 E HA 0.426 4.777 4.350 0.000 0.000 0.281 1011 E C -1.372 175.252 176.600 0.040 0.000 0.910 1011 E CA -0.887 55.544 56.400 0.052 0.000 0.770 1011 E CB 1.707 31.432 29.700 0.042 0.000 1.225 1011 E HN 0.017 nan 8.360 nan 0.000 0.417 1012 R N 3.282 123.806 120.500 0.040 0.000 2.502 1012 R HA 0.283 4.623 4.340 0.000 0.000 0.300 1012 R C -1.011 175.310 176.300 0.035 0.000 0.984 1012 R CA -0.529 55.593 56.100 0.037 0.000 0.882 1012 R CB 1.159 31.485 30.300 0.042 0.000 1.180 1012 R HN 0.707 nan 8.270 nan 0.000 0.444 1013 N N 3.730 122.448 118.700 0.030 0.000 2.292 1013 N HA -0.144 4.596 4.740 0.000 0.000 0.258 1013 N C 0.938 176.469 175.510 0.034 0.000 1.261 1013 N CA -0.025 53.042 53.050 0.029 0.000 0.845 1013 N CB 0.542 39.043 38.487 0.024 0.000 1.064 1013 N HN 0.660 nan 8.380 nan 0.000 0.471 1014 I N 3.588 124.183 120.570 0.043 0.000 2.700 1014 I HA -0.180 3.990 4.170 0.000 0.000 0.261 1014 I C 1.524 177.659 176.117 0.030 0.000 1.219 1014 I CA 1.546 62.883 61.300 0.062 0.000 1.463 1014 I CB -0.026 38.031 38.000 0.095 0.000 1.092 1014 I HN 0.659 nan 8.210 nan 0.000 0.452 1015 T N -1.492 113.060 114.554 -0.003 0.000 3.039 1015 T HA 0.059 4.410 4.350 0.000 0.000 0.250 1015 T C 1.917 176.588 174.700 -0.048 0.000 1.052 1015 T CA 0.931 62.991 62.100 -0.067 0.000 1.125 1015 T CB 0.055 68.884 68.868 -0.067 0.000 0.908 1015 T HN 0.209 nan 8.240 nan 0.000 0.473 1016 S N 1.451 117.150 115.700 -0.003 0.000 2.419 1016 S HA -0.120 4.350 4.470 0.000 0.000 0.235 1016 S C 2.011 176.628 174.600 0.029 0.000 1.019 1016 S CA 1.132 59.344 58.200 0.020 0.000 0.982 1016 S CB -0.153 63.065 63.200 0.029 0.000 0.789 1016 S HN 0.417 nan 8.310 nan 0.000 0.490 1017 E N 1.117 121.330 120.200 0.023 0.000 2.033 1017 E HA 0.008 4.358 4.350 0.000 0.000 0.189 1017 E C 2.033 178.649 176.600 0.026 0.000 0.979 1017 E CA 0.950 57.373 56.400 0.038 0.000 0.802 1017 E CB -0.185 29.545 29.700 0.050 0.000 0.763 1017 E HN 0.218 nan 8.360 nan 0.000 0.449 1018 M N 0.600 120.174 119.600 -0.044 0.000 2.084 1018 M HA -0.141 4.339 4.480 0.000 0.000 0.259 1018 M C 2.248 178.515 176.300 -0.054 0.000 1.072 1018 M CA 1.752 56.974 55.300 -0.131 0.000 1.107 1018 M CB -1.312 31.030 32.600 -0.429 0.000 1.299 1018 M HN 0.118 nan 8.290 nan 0.000 0.413 1019 R N 0.018 120.475 120.500 -0.072 0.000 2.134 1019 R HA -0.211 4.130 4.340 0.000 0.000 0.248 1019 R C 2.133 178.587 176.300 0.256 0.000 1.143 1019 R CA 1.847 57.998 56.100 0.086 0.000 0.957 1019 R CB -0.515 29.859 30.300 0.123 0.000 0.867 1019 R HN 0.599 nan 8.270 nan 0.000 0.441 1020 E N -0.071 120.226 120.200 0.161 0.000 2.030 1020 E HA -0.035 4.316 4.350 0.000 0.000 0.189 1020 E C 2.192 178.893 176.600 0.168 0.000 0.974 1020 E CA 0.621 57.114 56.400 0.155 0.000 0.807 1020 E CB -0.058 29.701 29.700 0.098 0.000 0.771 1020 E HN 0.104 nan 8.360 nan 0.000 0.451 1021 S N 0.383 116.169 115.700 0.144 0.000 2.407 1021 S HA -0.191 4.279 4.470 0.000 0.000 0.235 1021 S C 1.559 176.289 174.600 0.216 0.000 1.036 1021 S CA 1.113 59.403 58.200 0.149 0.000 1.013 1021 S CB -0.248 63.021 63.200 0.115 0.000 0.820 1021 S HN 0.240 nan 8.310 nan 0.000 0.476 1022 F N 1.168 121.185 119.950 0.112 0.000 2.149 1022 F HA 0.093 4.620 4.527 0.000 0.000 0.294 1022 F C 1.739 177.693 175.800 0.256 0.000 1.095 1022 F CA 0.838 58.949 58.000 0.184 0.000 1.276 1022 F CB -0.308 38.749 39.000 0.096 0.000 1.023 1022 F HN 0.162 nan 8.300 nan 0.000 0.480 1023 L N 0.329 121.818 121.223 0.444 0.000 2.549 1023 L HA -0.140 4.201 4.340 0.000 0.000 0.229 1023 L C 1.721 178.634 176.870 0.071 0.000 1.158 1023 L CA 1.458 56.465 54.840 0.279 0.000 0.842 1023 L CB -0.954 41.260 42.059 0.258 0.000 0.952 1023 L HN 0.178 nan 8.230 nan 0.000 0.452 1024 D N -1.476 118.976 120.400 0.087 0.000 2.106 1024 D HA -0.235 4.406 4.640 0.000 0.000 0.203 1024 D C 1.752 178.061 176.300 0.015 0.000 0.977 1024 D CA 1.500 55.528 54.000 0.047 0.000 0.844 1024 D CB -0.064 40.788 40.800 0.086 0.000 1.002 1024 D HN 0.478 nan 8.370 nan 0.000 0.461 1025 Y N 2.016 122.255 120.300 -0.102 0.000 2.097 1025 Y HA -0.222 4.328 4.550 0.000 0.000 0.282 1025 Y C 2.169 177.928 175.900 -0.236 0.000 1.152 1025 Y CA 2.073 60.075 58.100 -0.162 0.000 1.136 1025 Y CB -0.513 37.843 38.460 -0.172 0.000 0.975 1025 Y HN -0.056 nan 8.280 nan 0.000 0.498 1026 A N 1.323 123.859 122.820 -0.474 0.000 1.859 1026 A HA -0.265 4.056 4.320 0.000 0.000 0.217 1026 A C 2.319 179.712 177.584 -0.319 0.000 1.198 1026 A CA 2.388 54.137 52.037 -0.481 0.000 0.629 1026 A CB -0.945 17.923 19.000 -0.221 0.000 0.830 1026 A HN 0.583 nan 8.150 nan 0.000 0.446 1027 M N -0.339 119.143 119.600 -0.196 0.000 2.073 1027 M HA -0.168 4.312 4.480 0.000 0.000 0.258 1027 M C 2.572 178.788 176.300 -0.141 0.000 1.070 1027 M CA 2.095 57.303 55.300 -0.153 0.000 1.103 1027 M CB -1.432 31.073 32.600 -0.159 0.000 1.321 1027 M HN 0.613 nan 8.290 nan 0.000 0.405 1028 S N 0.097 115.701 115.700 -0.160 0.000 2.359 1028 S HA -0.141 4.329 4.470 0.000 0.000 0.223 1028 S C 1.991 176.496 174.600 -0.158 0.000 1.039 1028 S CA 1.908 60.032 58.200 -0.126 0.000 1.042 1028 S CB -0.365 62.773 63.200 -0.102 0.000 0.915 1028 S HN 0.276 nan 8.310 nan 0.000 0.439 1029 V N 1.908 121.641 119.914 -0.302 0.000 2.295 1029 V HA -0.173 3.947 4.120 0.000 0.000 0.246 1029 V C 2.291 178.294 176.094 -0.150 0.000 1.049 1029 V CA 2.170 64.303 62.300 -0.279 0.000 1.024 1029 V CB -0.705 30.828 31.823 -0.482 0.000 0.648 1029 V HN 0.557 nan 8.190 nan 0.000 0.447 1030 I N 0.230 120.721 120.570 -0.131 0.000 2.208 1030 I HA -0.218 3.952 4.170 0.000 0.000 0.245 1030 I C 2.246 178.362 176.117 -0.002 0.000 1.097 1030 I CA 1.872 63.147 61.300 -0.041 0.000 1.363 1030 I CB -0.700 37.303 38.000 0.004 0.000 1.051 1030 I HN 0.362 nan 8.210 nan 0.000 0.413 1031 V N -0.719 119.198 119.914 0.006 0.000 2.365 1031 V HA 0.244 4.365 4.120 0.000 0.000 0.232 1031 V C 1.525 177.626 176.094 0.012 0.000 1.065 1031 V CA 0.631 62.947 62.300 0.027 0.000 1.054 1031 V CB -1.098 30.762 31.823 0.062 0.000 0.685 1031 V HN 0.234 nan 8.190 nan 0.000 0.480 1032 A N 0.311 123.136 122.820 0.008 0.000 3.245 1032 A HA 0.722 5.043 4.320 0.000 0.000 0.282 1032 A C 1.189 178.789 177.584 0.027 0.000 1.417 1032 A CA 0.250 52.303 52.037 0.027 0.000 1.149 1032 A CB -0.410 18.613 19.000 0.038 0.000 1.155 1032 A HN 0.718 nan 8.150 nan 0.000 0.602 1033 R N -1.032 119.478 120.500 0.015 0.000 3.359 1033 R HA 0.258 4.598 4.340 0.000 0.000 0.098 1033 R C 1.058 177.382 176.300 0.040 0.000 0.779 1033 R CA 1.049 57.163 56.100 0.022 0.000 1.967 1033 R CB -0.349 29.922 30.300 -0.048 0.000 1.617 1033 R HN 0.470 nan 8.270 nan 0.000 0.469 1034 A N 1.190 124.016 122.820 0.011 0.000 2.358 1034 A HA 0.461 4.782 4.320 0.000 0.000 0.223 1034 A C 0.198 177.800 177.584 0.030 0.000 1.218 1034 A CA -0.243 51.807 52.037 0.021 0.000 0.942 1034 A CB 0.572 19.564 19.000 -0.013 0.000 1.005 1034 A HN 0.108 nan 8.150 nan 0.000 0.514 1035 L N 0.851 122.086 121.223 0.020 0.000 2.346 1035 L HA 0.433 4.773 4.340 0.000 0.000 0.274 1035 L C -2.881 173.993 176.870 0.007 0.000 1.007 1035 L CA -2.219 52.628 54.840 0.011 0.000 0.818 1035 L CB 1.923 43.981 42.059 -0.001 0.000 1.284 1035 L HN -0.064 nan 8.230 nan 0.000 0.424 1036 P HA 0.082 nan 4.420 nan 0.000 0.281 1036 P C -0.814 176.457 177.300 -0.048 0.000 1.252 1036 P CA -0.345 62.737 63.100 -0.030 0.000 0.778 1036 P CB 0.617 32.292 31.700 -0.041 0.000 0.895 1037 D N 2.623 122.986 120.400 -0.062 0.000 2.417 1037 D HA -0.053 4.588 4.640 0.000 0.000 0.250 1037 D C 1.266 177.501 176.300 -0.107 0.000 1.166 1037 D CA 0.184 54.130 54.000 -0.090 0.000 0.881 1037 D CB 1.206 41.946 40.800 -0.100 0.000 1.164 1037 D HN 0.033 nan 8.370 nan 0.000 0.467 1038 V N 5.585 125.433 119.914 -0.110 0.000 2.828 1038 V HA -0.224 3.896 4.120 0.000 0.000 0.260 1038 V C 2.037 178.085 176.094 -0.077 0.000 1.101 1038 V CA 1.723 63.970 62.300 -0.088 0.000 1.123 1038 V CB -0.263 31.494 31.823 -0.111 0.000 0.704 1038 V HN 0.490 nan 8.190 nan 0.000 0.493 1039 R N 0.291 120.694 120.500 -0.163 0.000 2.112 1039 R HA 0.039 4.380 4.340 0.000 0.000 0.216 1039 R C 1.812 177.921 176.300 -0.318 0.000 1.080 1039 R CA 1.588 57.505 56.100 -0.305 0.000 0.996 1039 R CB -0.144 29.816 30.300 -0.566 0.000 0.902 1039 R HN 0.811 nan 8.270 nan 0.000 0.449 1040 D N -2.354 117.885 120.400 -0.269 0.000 2.929 1040 D HA 0.143 4.783 4.640 0.000 0.000 0.291 1040 D C 1.030 177.220 176.300 -0.184 0.000 1.086 1040 D CA 0.577 54.438 54.000 -0.231 0.000 0.971 1040 D CB 0.316 40.981 40.800 -0.225 0.000 1.275 1040 D HN 0.144 nan 8.370 nan 0.000 0.469 1041 G N -0.006 108.709 108.800 -0.141 0.000 2.155 1041 G HA2 -0.061 3.899 3.960 0.000 0.000 0.130 1041 G HA3 -0.061 3.899 3.960 0.000 0.000 0.130 1041 G C -0.472 174.352 174.900 -0.126 0.000 1.027 1041 G CA -0.183 44.847 45.100 -0.116 0.000 0.705 1041 G HN 0.278 nan 8.290 nan 0.000 0.496 1042 L N 1.555 122.718 121.223 -0.100 0.000 2.296 1042 L HA 0.498 4.838 4.340 0.000 0.000 0.286 1042 L C 0.690 177.576 176.870 0.028 0.000 1.023 1042 L CA -1.094 53.701 54.840 -0.075 0.000 0.812 1042 L CB 1.401 43.475 42.059 0.024 0.000 1.223 1042 L HN 0.043 nan 8.230 nan 0.000 0.421 1043 K N 2.812 123.281 120.400 0.115 0.000 2.319 1043 K HA 0.140 4.461 4.320 0.000 0.000 0.265 1043 K C -1.816 174.947 176.600 0.272 0.000 1.000 1043 K CA -1.509 54.909 56.287 0.219 0.000 0.943 1043 K CB 0.363 33.036 32.500 0.288 0.000 0.950 1043 K HN 0.199 nan 8.250 nan 0.000 0.485 1044 P HA -0.274 nan 4.420 nan 0.000 0.217 1044 P C 1.594 179.033 177.300 0.231 0.000 1.158 1044 P CA 1.354 64.564 63.100 0.184 0.000 0.887 1044 P CB -0.022 31.782 31.700 0.174 0.000 0.792 1045 V N -1.767 118.294 119.914 0.244 0.000 2.568 1045 V HA -0.294 3.826 4.120 0.000 0.000 0.253 1045 V C 1.843 177.920 176.094 -0.028 0.000 1.072 1045 V CA 2.061 64.404 62.300 0.072 0.000 1.084 1045 V CB -1.657 30.101 31.823 -0.108 0.000 0.676 1045 V HN 0.173 nan 8.190 nan 0.000 0.469 1046 H N 0.010 119.121 119.070 0.069 0.000 2.428 1046 H HA 0.085 4.641 4.556 0.000 0.000 0.296 1046 H C 2.516 177.868 175.328 0.040 0.000 1.062 1046 H CA 1.965 58.041 56.048 0.047 0.000 1.350 1046 H CB -0.115 29.684 29.762 0.061 0.000 1.403 1046 H HN 0.359 nan 8.280 nan 0.000 0.533 1047 R N 0.461 121.062 120.500 0.168 0.000 2.073 1047 R HA 0.041 4.382 4.340 0.000 0.000 0.229 1047 R C 2.022 178.372 176.300 0.084 0.000 1.120 1047 R CA 0.793 56.945 56.100 0.087 0.000 0.967 1047 R CB 0.154 30.472 30.300 0.030 0.000 0.862 1047 R HN 0.222 nan 8.270 nan 0.000 0.436 1048 R N -0.023 120.536 120.500 0.098 0.000 2.189 1048 R HA -0.018 4.323 4.340 0.000 0.000 0.218 1048 R C 2.036 178.433 176.300 0.161 0.000 1.074 1048 R CA 0.867 57.034 56.100 0.112 0.000 0.991 1048 R CB 0.005 30.443 30.300 0.230 0.000 0.883 1048 R HN 0.298 nan 8.270 nan 0.000 0.457 1049 I N 0.158 120.794 120.570 0.109 0.000 2.296 1049 I HA -0.213 3.958 4.170 0.000 0.000 0.242 1049 I C 1.972 178.145 176.117 0.093 0.000 1.087 1049 I CA 0.830 62.186 61.300 0.093 0.000 1.393 1049 I CB -0.089 37.924 38.000 0.022 0.000 1.093 1049 I HN 0.073 nan 8.210 nan 0.000 0.421 1050 L N -0.268 121.006 121.223 0.085 0.000 2.127 1050 L HA -0.266 4.075 4.340 0.000 0.000 0.211 1050 L C 2.526 179.459 176.870 0.106 0.000 1.089 1050 L CA 1.643 56.530 54.840 0.079 0.000 0.757 1050 L CB -0.583 41.520 42.059 0.074 0.000 0.899 1050 L HN 0.250 nan 8.230 nan 0.000 0.434 1051 Y N 0.018 120.309 120.300 -0.016 0.000 2.243 1051 Y HA -0.049 4.501 4.550 0.001 0.000 0.293 1051 Y C 2.330 178.244 175.900 0.023 0.000 1.124 1051 Y CA 1.291 59.364 58.100 -0.045 0.000 1.159 1051 Y CB -0.676 37.683 38.460 -0.168 0.000 1.008 1051 Y HN 0.072 nan 8.280 nan 0.000 0.527 1052 G N 0.667 109.526 108.800 0.098 0.000 2.450 1052 G HA2 -0.216 3.745 3.960 0.000 0.000 0.220 1052 G HA3 -0.216 3.745 3.960 0.000 0.000 0.220 1052 G C 1.571 176.522 174.900 0.084 0.000 1.130 1052 G CA 1.278 46.531 45.100 0.254 0.000 0.760 1052 G HN 0.420 nan 8.290 nan 0.000 0.557 1053 L N 0.062 121.308 121.223 0.038 0.000 1.971 1053 L HA -0.052 4.289 4.340 0.000 0.000 0.208 1053 L C 2.542 179.385 176.870 -0.045 0.000 1.083 1053 L CA 1.470 56.316 54.840 0.010 0.000 0.753 1053 L CB -1.108 40.961 42.059 0.017 0.000 0.893 1053 L HN 0.244 nan 8.230 nan 0.000 0.436 1054 N N -0.234 118.425 118.700 -0.070 0.000 2.200 1054 N HA -0.278 4.462 4.740 0.000 0.000 0.199 1054 N C 1.730 177.144 175.510 -0.160 0.000 0.987 1054 N CA 1.706 54.694 53.050 -0.104 0.000 0.908 1054 N CB 0.082 38.508 38.487 -0.102 0.000 1.035 1054 N HN 0.286 nan 8.380 nan 0.000 0.481 1055 E N 0.035 120.088 120.200 -0.245 0.000 2.001 1055 E HA -0.143 4.207 4.350 0.000 0.000 0.195 1055 E C 1.478 178.035 176.600 -0.072 0.000 1.002 1055 E CA 0.994 57.285 56.400 -0.181 0.000 0.819 1055 E CB -0.474 29.141 29.700 -0.141 0.000 0.769 1055 E HN 0.537 nan 8.360 nan 0.000 0.454 1056 Q N -0.019 119.759 119.800 -0.037 0.000 2.594 1056 Q HA 0.032 4.372 4.340 0.000 0.000 0.219 1056 Q C 0.719 176.709 176.000 -0.017 0.000 0.980 1056 Q CA 0.746 56.540 55.803 -0.015 0.000 0.962 1056 Q CB -0.830 27.910 28.738 0.004 0.000 0.987 1056 Q HN 0.486 nan 8.270 nan 0.000 0.553 1057 G N 1.392 110.175 108.800 -0.029 0.000 2.356 1057 G HA2 -0.334 3.627 3.960 0.000 0.000 0.296 1057 G HA3 -0.334 3.627 3.960 0.000 0.000 0.296 1057 G C 0.306 175.194 174.900 -0.020 0.000 1.022 1057 G CA 0.565 45.652 45.100 -0.023 0.000 0.961 1057 G HN 0.373 nan 8.290 nan 0.000 0.510 1058 M N 1.972 121.561 119.600 -0.020 0.000 2.915 1058 M HA 0.156 4.637 4.480 0.000 0.000 0.206 1058 M C 1.613 177.889 176.300 -0.040 0.000 1.271 1058 M CA 0.752 56.039 55.300 -0.021 0.000 1.122 1058 M CB -0.479 32.120 32.600 -0.002 0.000 1.655 1058 M HN 0.439 nan 8.290 nan 0.000 0.434 1059 T N -2.493 112.039 114.554 -0.038 0.000 2.802 1059 T HA 0.135 4.485 4.350 0.000 0.000 0.305 1059 T C -1.750 172.908 174.700 -0.069 0.000 1.053 1059 T CA -1.369 60.708 62.100 -0.038 0.000 1.058 1059 T CB 0.176 69.031 68.868 -0.020 0.000 0.988 1059 T HN 0.112 nan 8.240 nan 0.000 0.539 1060 P HA -0.137 nan 4.420 nan 0.000 0.215 1060 P C 1.419 178.668 177.300 -0.086 0.000 1.157 1060 P CA 1.234 64.284 63.100 -0.083 0.000 0.868 1060 P CB -0.065 31.617 31.700 -0.030 0.000 0.788 1061 D N -0.737 119.634 120.400 -0.048 0.000 2.104 1061 D HA -0.130 4.510 4.640 0.000 0.000 0.194 1061 D C 0.865 177.135 176.300 -0.050 0.000 0.994 1061 D CA 1.382 55.359 54.000 -0.038 0.000 0.830 1061 D CB -0.724 40.066 40.800 -0.018 0.000 0.959 1061 D HN 0.092 nan 8.370 nan 0.000 0.452 1062 K N 1.071 121.438 120.400 -0.055 0.000 2.143 1062 K HA 0.214 4.534 4.320 0.000 0.000 0.239 1062 K C 0.634 177.181 176.600 -0.089 0.000 1.048 1062 K CA -0.351 55.905 56.287 -0.052 0.000 0.867 1062 K CB 0.367 32.844 32.500 -0.038 0.000 1.088 1062 K HN 0.200 nan 8.250 nan 0.000 0.510 1063 S N -0.627 115.041 115.700 -0.053 0.000 2.655 1063 S HA 0.298 4.768 4.470 0.000 0.000 0.265 1063 S C -0.216 174.351 174.600 -0.055 0.000 1.240 1063 S CA -0.579 57.598 58.200 -0.039 0.000 0.986 1063 S CB 0.010 63.235 63.200 0.042 0.000 0.985 1063 S HN 0.288 nan 8.310 nan 0.000 0.562 1064 Y N 0.926 121.241 120.300 0.025 0.000 2.397 1064 Y HA 0.360 4.911 4.550 0.000 0.000 0.335 1064 Y C 0.888 176.812 175.900 0.040 0.000 1.213 1064 Y CA 0.317 58.437 58.100 0.034 0.000 1.391 1064 Y CB 0.633 39.119 38.460 0.043 0.000 1.293 1064 Y HN 0.371 nan 8.280 nan 0.000 0.557 1065 K N 2.745 123.280 120.400 0.224 0.000 2.371 1065 K HA 0.296 4.616 4.320 0.000 0.000 0.251 1065 K C -0.834 175.863 176.600 0.162 0.000 0.934 1065 K CA -1.265 55.111 56.287 0.148 0.000 0.798 1065 K CB 1.697 34.255 32.500 0.097 0.000 1.204 1065 K HN 0.436 nan 8.250 nan 0.000 0.427 1066 K N 1.205 121.676 120.400 0.119 0.000 2.489 1066 K HA 0.032 4.352 4.320 0.000 0.000 0.278 1066 K C 0.942 177.627 176.600 0.141 0.000 1.000 1066 K CA 0.200 56.556 56.287 0.115 0.000 1.012 1066 K CB 0.067 32.604 32.500 0.061 0.000 0.903 1066 K HN 0.497 nan 8.250 nan 0.000 0.485 1067 S N 2.313 118.129 115.700 0.194 0.000 2.380 1067 S HA -0.277 4.193 4.470 0.000 0.000 0.229 1067 S C 1.906 176.577 174.600 0.117 0.000 1.043 1067 S CA 1.794 60.133 58.200 0.232 0.000 1.038 1067 S CB -0.251 63.171 63.200 0.370 0.000 0.872 1067 S HN 0.771 nan 8.310 nan 0.000 0.456 1068 A N 1.407 124.251 122.820 0.040 0.000 2.032 1068 A HA -0.203 4.117 4.320 0.000 0.000 0.221 1068 A C 2.094 179.690 177.584 0.021 0.000 1.165 1068 A CA 1.862 53.895 52.037 -0.008 0.000 0.645 1068 A CB -0.512 18.473 19.000 -0.025 0.000 0.807 1068 A HN 0.516 nan 8.150 nan 0.000 0.453 1069 R N -0.669 119.857 120.500 0.044 0.000 2.105 1069 R HA 0.174 4.515 4.340 0.000 0.000 0.214 1069 R C 1.852 178.187 176.300 0.058 0.000 1.091 1069 R CA 0.826 56.951 56.100 0.042 0.000 1.007 1069 R CB -0.289 30.034 30.300 0.038 0.000 0.912 1069 R HN 0.446 nan 8.270 nan 0.000 0.450 1070 I N 1.370 121.989 120.570 0.083 0.000 2.502 1070 I HA -0.248 3.922 4.170 0.000 0.000 0.258 1070 I C 1.926 178.107 176.117 0.106 0.000 1.172 1070 I CA 0.962 62.322 61.300 0.099 0.000 1.430 1070 I CB 0.146 38.222 38.000 0.128 0.000 1.086 1070 I HN 0.084 nan 8.210 nan 0.000 0.440 1071 V N 0.066 120.040 119.914 0.101 0.000 2.374 1071 V HA -0.035 4.085 4.120 0.000 0.000 0.241 1071 V C 2.417 178.556 176.094 0.075 0.000 1.034 1071 V CA 1.775 64.134 62.300 0.098 0.000 1.037 1071 V CB -0.766 31.111 31.823 0.089 0.000 0.682 1071 V HN 0.484 nan 8.190 nan 0.000 0.463 1072 G N -0.675 108.156 108.800 0.052 0.000 2.559 1072 G HA2 -0.261 3.699 3.960 0.000 0.000 0.216 1072 G HA3 -0.261 3.699 3.960 0.000 0.000 0.216 1072 G C 1.158 176.081 174.900 0.037 0.000 1.126 1072 G CA 1.120 46.246 45.100 0.043 0.000 0.778 1072 G HN 0.591 nan 8.290 nan 0.000 0.543 1073 D N -0.173 120.250 120.400 0.038 0.000 2.154 1073 D HA -0.072 4.568 4.640 0.000 0.000 0.211 1073 D C 2.450 178.759 176.300 0.015 0.000 0.977 1073 D CA 0.474 54.479 54.000 0.008 0.000 0.869 1073 D CB -0.062 40.746 40.800 0.014 0.000 1.022 1073 D HN -0.016 nan 8.370 nan 0.000 0.461 1074 V N 1.135 121.112 119.914 0.105 0.000 3.099 1074 V HA -0.229 3.891 4.120 0.000 0.000 0.269 1074 V C 1.989 178.209 176.094 0.210 0.000 1.150 1074 V CA 1.494 63.924 62.300 0.217 0.000 1.165 1074 V CB -0.666 31.279 31.823 0.203 0.000 0.756 1074 V HN 0.374 nan 8.190 nan 0.000 0.527 1075 M N 0.165 119.849 119.600 0.141 0.000 2.329 1075 M HA 0.178 4.658 4.480 0.000 0.000 0.244 1075 M C 2.005 178.410 176.300 0.176 0.000 1.156 1075 M CA 1.817 57.219 55.300 0.171 0.000 1.192 1075 M CB -0.313 32.361 32.600 0.124 0.000 1.241 1075 M HN 0.232 nan 8.290 nan 0.000 0.465 1076 G N 0.329 109.192 108.800 0.106 0.000 2.708 1076 G HA2 -0.109 3.851 3.960 0.000 0.000 0.210 1076 G HA3 -0.109 3.851 3.960 0.000 0.000 0.210 1076 G C 1.357 176.249 174.900 -0.012 0.000 1.141 1076 G CA 0.574 45.738 45.100 0.106 0.000 0.788 1076 G HN 0.465 nan 8.290 nan 0.000 0.531 1077 K N -1.659 118.647 120.400 -0.157 0.000 2.240 1077 K HA 0.211 4.531 4.320 0.000 0.000 0.202 1077 K C 1.330 177.706 176.600 -0.373 0.000 1.053 1077 K CA 0.399 56.389 56.287 -0.493 0.000 0.973 1077 K CB 0.294 32.151 32.500 -1.072 0.000 0.924 1077 K HN 0.326 nan 8.250 nan 0.000 0.477 1078 Y N -1.642 118.794 120.300 0.227 0.000 2.769 1078 Y HA 0.195 4.745 4.550 0.000 0.000 0.266 1078 Y C 0.418 176.544 175.900 0.377 0.000 1.091 1078 Y CA -0.121 58.139 58.100 0.266 0.000 1.272 1078 Y CB 0.038 38.652 38.460 0.257 0.000 1.469 1078 Y HN -0.050 nan 8.280 nan 0.000 0.475 1079 H N 3.046 122.340 119.070 0.374 0.000 2.595 1079 H HA 0.362 4.918 4.556 0.001 0.000 0.313 1079 H C -2.599 172.727 175.328 -0.004 0.000 1.023 1079 H CA -2.596 53.569 56.048 0.195 0.000 1.218 1079 H CB 1.618 31.511 29.762 0.218 0.000 1.403 1079 H HN -0.141 nan 8.280 nan 0.000 0.477 1080 P HA 0.120 nan 4.420 nan 0.000 0.228 1080 P C -0.458 176.489 177.300 -0.588 0.000 1.764 1080 P CA 0.268 62.953 63.100 -0.691 0.000 0.929 1080 P CB 0.066 31.052 31.700 -1.190 0.000 1.675 1081 H N -0.954 118.135 119.070 0.031 0.000 3.917 1081 H HA 0.581 5.137 4.556 0.000 0.000 0.340 1081 H C 0.964 176.356 175.328 0.106 0.000 1.557 1081 H CA -0.432 55.658 56.048 0.071 0.000 1.383 1081 H CB -0.039 29.808 29.762 0.142 0.000 0.899 1081 H HN 0.023 nan 8.280 nan 0.000 0.779 1082 G N -0.556 108.416 108.800 0.286 0.000 2.537 1082 G HA2 0.240 4.200 3.960 0.000 0.000 0.297 1082 G HA3 0.240 4.200 3.960 0.000 0.000 0.297 1082 G C -0.144 174.841 174.900 0.142 0.000 1.310 1082 G CA -0.020 45.177 45.100 0.161 0.000 1.027 1082 G HN 0.644 nan 8.290 nan 0.000 0.505 1083 D N -1.864 118.593 120.400 0.097 0.000 2.323 1083 D HA -0.045 4.595 4.640 0.000 0.000 0.218 1083 D C 2.338 178.704 176.300 0.109 0.000 0.973 1083 D CA 1.029 55.080 54.000 0.086 0.000 0.890 1083 D CB -0.024 40.800 40.800 0.039 0.000 1.011 1083 D HN 0.392 nan 8.370 nan 0.000 0.499 1084 S N 0.358 116.115 115.700 0.095 0.000 2.387 1084 S HA -0.248 4.222 4.470 0.000 0.000 0.230 1084 S C 2.016 176.682 174.600 0.111 0.000 1.035 1084 S CA 1.535 59.803 58.200 0.113 0.000 1.014 1084 S CB -0.737 62.509 63.200 0.077 0.000 0.836 1084 S HN 0.190 nan 8.310 nan 0.000 0.466 1085 S N 1.541 117.296 115.700 0.091 0.000 2.345 1085 S HA 0.159 4.629 4.470 0.000 0.000 0.220 1085 S C 1.821 176.432 174.600 0.018 0.000 1.031 1085 S CA 1.333 59.570 58.200 0.063 0.000 0.996 1085 S CB -0.485 62.775 63.200 0.100 0.000 0.882 1085 S HN 0.548 nan 8.310 nan 0.000 0.445 1086 I N -0.027 120.554 120.570 0.020 0.000 2.202 1086 I HA -0.180 3.990 4.170 0.000 0.000 0.242 1086 I C 2.257 178.396 176.117 0.037 0.000 1.091 1086 I CA 1.347 62.614 61.300 -0.055 0.000 1.368 1086 I CB -0.342 37.651 38.000 -0.012 0.000 1.058 1086 I HN 0.302 nan 8.210 nan 0.000 0.410 1087 Y N 2.091 122.378 120.300 -0.023 0.000 2.084 1087 Y HA -0.252 4.298 4.550 0.000 0.000 0.279 1087 Y C 2.359 178.261 175.900 0.004 0.000 1.119 1087 Y CA 1.652 59.751 58.100 -0.001 0.000 1.101 1087 Y CB -0.573 37.885 38.460 -0.003 0.000 0.989 1087 Y HN 0.099 nan 8.280 nan 0.000 0.484 1088 E N -0.076 120.068 120.200 -0.092 0.000 2.455 1088 E HA -0.141 4.209 4.350 0.000 0.000 0.202 1088 E C 1.984 178.509 176.600 -0.126 0.000 1.045 1088 E CA 0.531 56.813 56.400 -0.197 0.000 0.872 1088 E CB -0.205 29.477 29.700 -0.029 0.000 0.792 1088 E HN 0.558 nan 8.360 nan 0.000 0.542 1089 A N 1.044 123.801 122.820 -0.106 0.000 1.935 1089 A HA -0.107 4.214 4.320 0.000 0.000 0.214 1089 A C 2.166 179.673 177.584 -0.128 0.000 1.178 1089 A CA 1.027 52.993 52.037 -0.119 0.000 0.640 1089 A CB -0.325 18.555 19.000 -0.199 0.000 0.825 1089 A HN 0.339 nan 8.150 nan 0.000 0.447 1090 M N -1.580 117.945 119.600 -0.125 0.000 2.334 1090 M HA 0.088 4.569 4.480 0.000 0.000 0.266 1090 M C 1.574 177.841 176.300 -0.054 0.000 1.082 1090 M CA 1.367 56.615 55.300 -0.086 0.000 1.141 1090 M CB -0.468 32.119 32.600 -0.021 0.000 1.380 1090 M HN -0.051 nan 8.290 nan 0.000 0.440 1091 V N 1.532 121.389 119.914 -0.096 0.000 2.282 1091 V HA -0.282 3.838 4.120 0.000 0.000 0.249 1091 V C 2.758 178.864 176.094 0.021 0.000 1.057 1091 V CA 2.266 64.580 62.300 0.025 0.000 1.032 1091 V CB -0.900 30.760 31.823 -0.272 0.000 0.645 1091 V HN 0.569 nan 8.190 nan 0.000 0.447 1092 R N -0.793 119.705 120.500 -0.004 0.000 2.139 1092 R HA -0.161 4.179 4.340 0.000 0.000 0.243 1092 R C 2.120 178.466 176.300 0.077 0.000 1.145 1092 R CA 1.711 57.857 56.100 0.078 0.000 0.976 1092 R CB -0.287 30.123 30.300 0.182 0.000 0.866 1092 R HN 0.499 nan 8.270 nan 0.000 0.449 1093 M N -1.123 118.374 119.600 -0.172 0.000 2.619 1093 M HA 0.033 4.513 4.480 0.000 0.000 0.251 1093 M C 1.618 177.708 176.300 -0.351 0.000 1.106 1093 M CA 0.602 55.522 55.300 -0.635 0.000 1.086 1093 M CB 0.499 32.754 32.600 -0.576 0.000 1.465 1093 M HN 0.094 nan 8.290 nan 0.000 0.506 1094 A N -0.301 122.393 122.820 -0.211 0.000 2.390 1094 A HA 0.176 4.497 4.320 0.000 0.000 0.232 1094 A C 0.467 177.914 177.584 -0.227 0.000 1.233 1094 A CA -0.194 51.693 52.037 -0.250 0.000 0.907 1094 A CB 0.182 18.926 19.000 -0.426 0.000 0.967 1094 A HN 0.411 nan 8.150 nan 0.000 0.512 1095 Q N 0.666 120.306 119.800 -0.266 0.000 2.271 1095 Q HA 0.310 4.650 4.340 0.000 0.000 0.258 1095 Q C -0.540 175.174 176.000 -0.477 0.000 0.936 1095 Q CA -0.331 55.137 55.803 -0.558 0.000 0.909 1095 Q CB 1.289 29.356 28.738 -1.117 0.000 1.253 1095 Q HN 0.451 nan 8.270 nan 0.000 0.440 1096 D N 1.181 121.384 120.400 -0.328 0.000 2.340 1096 D HA -0.086 4.554 4.640 0.000 0.000 0.220 1096 D C 0.575 176.840 176.300 -0.057 0.000 1.039 1096 D CA 0.205 54.133 54.000 -0.120 0.000 0.866 1096 D CB -0.125 40.666 40.800 -0.014 0.000 0.913 1096 D HN 0.582 nan 8.370 nan 0.000 0.523 1097 F N -2.187 117.750 119.950 -0.021 0.000 2.704 1097 F HA 0.502 5.029 4.527 0.000 0.000 0.304 1097 F C 1.659 177.357 175.800 -0.169 0.000 1.094 1097 F CA -0.594 57.356 58.000 -0.083 0.000 1.275 1097 F CB 0.051 39.005 39.000 -0.076 0.000 1.073 1097 F HN -0.114 nan 8.300 nan 0.000 0.586 1098 S N -1.447 114.038 115.700 -0.358 0.000 2.591 1098 S HA 0.186 4.656 4.470 0.000 0.000 0.235 1098 S C -0.449 174.072 174.600 -0.132 0.000 1.074 1098 S CA 0.074 58.131 58.200 -0.239 0.000 0.925 1098 S CB -0.084 63.001 63.200 -0.191 0.000 0.818 1098 S HN 0.217 nan 8.310 nan 0.000 0.535 1099 Y N 1.670 121.889 120.300 -0.136 0.000 2.341 1099 Y HA 0.453 5.004 4.550 0.000 0.000 0.337 1099 Y C 1.038 176.924 175.900 -0.024 0.000 1.014 1099 Y CA -0.917 57.175 58.100 -0.012 0.000 1.111 1099 Y CB 1.100 39.559 38.460 -0.000 0.000 1.194 1099 Y HN -0.065 nan 8.280 nan 0.000 0.462 1100 R N 1.804 122.373 120.500 0.115 0.000 2.115 1100 R HA -0.048 4.292 4.340 0.000 0.000 0.230 1100 R C -0.941 175.150 176.300 -0.349 0.000 1.111 1100 R CA 1.627 57.675 56.100 -0.087 0.000 0.976 1100 R CB -0.167 30.108 30.300 -0.042 0.000 0.870 1100 R HN 0.668 nan 8.270 nan 0.000 0.445 1101 Y N 0.199 120.610 120.300 0.185 0.000 2.705 1101 Y HA 0.406 4.956 4.550 0.000 0.000 0.355 1101 Y C -2.217 173.764 175.900 0.135 0.000 1.039 1101 Y CA -3.175 55.002 58.100 0.129 0.000 1.233 1101 Y CB 1.221 39.733 38.460 0.087 0.000 1.103 1101 Y HN -0.009 nan 8.280 nan 0.000 0.624 1102 P HA -0.033 nan 4.420 nan 0.000 0.261 1102 P C 0.507 177.800 177.300 -0.012 0.000 1.165 1102 P CA 0.724 63.838 63.100 0.022 0.000 0.759 1102 P CB 0.858 32.543 31.700 -0.025 0.000 0.772 1103 L N 2.380 123.515 121.223 -0.147 0.000 2.554 1103 L HA 0.134 4.474 4.340 0.000 0.000 0.225 1103 L C 0.422 177.232 176.870 -0.100 0.000 1.104 1103 L CA 0.245 55.026 54.840 -0.099 0.000 0.866 1103 L CB 0.293 42.267 42.059 -0.141 0.000 1.047 1103 L HN 0.139 nan 8.230 nan 0.000 0.468 1104 V N -0.613 119.216 119.914 -0.141 0.000 2.638 1104 V HA 0.268 4.388 4.120 0.000 0.000 0.306 1104 V C -0.957 175.054 176.094 -0.138 0.000 1.052 1104 V CA -0.841 61.386 62.300 -0.121 0.000 0.885 1104 V CB 2.438 34.179 31.823 -0.137 0.000 0.999 1104 V HN -0.097 nan 8.190 nan 0.000 0.424 1105 D N 3.242 123.589 120.400 -0.088 0.000 2.295 1105 D HA 0.481 5.121 4.640 0.000 0.000 0.248 1105 D C 0.296 176.579 176.300 -0.028 0.000 1.154 1105 D CA 0.296 54.266 54.000 -0.050 0.000 0.857 1105 D CB 1.678 42.468 40.800 -0.017 0.000 1.117 1105 D HN 0.716 nan 8.370 nan 0.000 0.468 1106 G N 2.578 111.254 108.800 -0.206 0.000 2.371 1106 G HA2 0.466 4.427 3.960 0.000 0.000 0.326 1106 G HA3 0.466 4.427 3.960 0.000 0.000 0.326 1106 G C -0.845 173.910 174.900 -0.241 0.000 1.127 1106 G CA -0.601 44.170 45.100 -0.549 0.000 0.885 1106 G HN 0.453 nan 8.290 nan 0.000 0.477 1107 Q N 1.160 120.822 119.800 -0.230 0.000 2.309 1107 Q HA 0.613 4.953 4.340 0.000 0.000 0.270 1107 Q C 0.137 176.181 176.000 0.074 0.000 1.023 1107 Q CA 0.379 56.011 55.803 -0.285 0.000 0.758 1107 Q CB 1.332 29.470 28.738 -0.999 0.000 1.247 1107 Q HN 1.593 nan 8.270 nan 0.000 0.455 1108 G N 3.025 111.898 108.800 0.123 0.000 2.306 1108 G HA2 -0.175 3.785 3.960 0.000 0.000 0.262 1108 G HA3 -0.175 3.785 3.960 0.000 0.000 0.262 1108 G C -1.248 173.798 174.900 0.243 0.000 1.263 1108 G CA -0.558 44.654 45.100 0.188 0.000 1.088 1108 G HN 0.739 nan 8.290 nan 0.000 0.489 1109 N N 0.404 119.199 118.700 0.158 0.000 2.663 1109 N HA 0.511 5.251 4.740 0.000 0.000 0.250 1109 N C -0.387 175.160 175.510 0.060 0.000 1.129 1109 N CA -0.299 52.811 53.050 0.101 0.000 0.995 1109 N CB -0.510 37.986 38.487 0.015 0.000 1.324 1109 N HN 0.387 nan 8.380 nan 0.000 0.512 1110 F N 2.488 122.469 119.950 0.053 0.000 2.987 1110 F HA 0.428 4.955 4.527 0.000 0.000 0.302 1110 F C 1.400 177.250 175.800 0.082 0.000 1.221 1110 F CA 0.330 58.355 58.000 0.041 0.000 1.307 1110 F CB -0.005 39.001 39.000 0.010 0.000 1.108 1110 F HN 0.602 nan 8.300 nan 0.000 0.521 1111 G N 0.771 109.673 108.800 0.170 0.000 2.760 1111 G HA2 0.120 4.080 3.960 0.000 0.000 0.246 1111 G HA3 0.120 4.080 3.960 0.000 0.000 0.246 1111 G C -0.447 174.613 174.900 0.266 0.000 1.359 1111 G CA -0.519 44.704 45.100 0.206 0.000 0.861 1111 G HN 0.918 nan 8.290 nan 0.000 0.541 1112 S N -2.198 113.609 115.700 0.179 0.000 2.703 1112 S HA 0.673 5.144 4.470 0.000 0.000 0.273 1112 S C 1.052 175.313 174.600 -0.564 0.000 1.178 1112 S CA 0.142 58.255 58.200 -0.145 0.000 0.838 1112 S CB 1.107 64.252 63.200 -0.091 0.000 1.178 1112 S HN 0.858 nan 8.310 nan 0.000 0.494 1113 M N 0.897 120.092 119.600 -0.674 0.000 2.193 1113 M HA 0.010 4.490 4.480 0.000 0.000 0.265 1113 M C 0.488 176.620 176.300 -0.280 0.000 1.071 1113 M CA 1.451 56.385 55.300 -0.610 0.000 1.140 1113 M CB -1.191 31.114 32.600 -0.492 0.000 1.369 1113 M HN 0.754 nan 8.290 nan 0.000 0.423 1114 D N 0.852 121.137 120.400 -0.190 0.000 2.429 1114 D HA -0.012 4.628 4.640 0.000 0.000 0.237 1114 D C 1.041 177.295 176.300 -0.077 0.000 1.045 1114 D CA 0.942 54.876 54.000 -0.109 0.000 0.974 1114 D CB -0.436 40.315 40.800 -0.081 0.000 0.871 1114 D HN 0.629 nan 8.370 nan 0.000 0.525 1115 G N 0.714 109.467 108.800 -0.078 0.000 2.147 1115 G HA2 -0.258 3.702 3.960 0.000 0.000 0.244 1115 G HA3 -0.258 3.702 3.960 0.000 0.000 0.244 1115 G C -0.563 174.329 174.900 -0.012 0.000 1.005 1115 G CA -0.344 44.738 45.100 -0.030 0.000 0.713 1115 G HN 0.256 nan 8.290 nan 0.000 0.515 1116 D N 0.580 120.969 120.400 -0.018 0.000 2.277 1116 D HA 0.523 5.163 4.640 0.000 0.000 0.249 1116 D C 0.986 177.296 176.300 0.016 0.000 1.134 1116 D CA 0.857 54.852 54.000 -0.009 0.000 0.863 1116 D CB 1.177 41.965 40.800 -0.020 0.000 1.143 1116 D HN 0.441 nan 8.370 nan 0.000 0.458 1117 G N 0.826 109.629 108.800 0.005 0.000 2.467 1117 G HA2 0.495 4.455 3.960 0.000 0.000 0.257 1117 G HA3 0.495 4.455 3.960 0.000 0.000 0.257 1117 G C 0.397 175.287 174.900 -0.016 0.000 1.227 1117 G CA -0.409 44.695 45.100 0.006 0.000 0.835 1117 G HN 0.563 nan 8.290 nan 0.000 0.556 1118 A N 1.214 124.013 122.820 -0.036 0.000 2.245 1118 A HA 0.664 4.984 4.320 0.000 0.000 0.279 1118 A C 1.214 178.736 177.584 -0.103 0.000 1.290 1118 A CA 0.586 52.565 52.037 -0.096 0.000 0.819 1118 A CB -0.314 18.529 19.000 -0.262 0.000 1.173 1118 A HN 1.770 nan 8.150 nan 0.000 0.508 1119 A N -1.614 121.114 122.820 -0.154 0.000 2.257 1119 A HA 0.644 4.964 4.320 0.000 0.000 0.289 1119 A C 0.844 178.342 177.584 -0.144 0.000 1.095 1119 A CA -0.010 51.903 52.037 -0.207 0.000 0.836 1119 A CB -0.439 18.427 19.000 -0.223 0.000 1.111 1119 A HN 2.290 nan 8.150 nan 0.000 0.497 1120 A N 0.319 122.979 122.820 -0.267 0.000 2.577 1120 A HA 0.281 4.601 4.320 0.000 0.000 0.233 1120 A C 1.289 178.829 177.584 -0.075 0.000 1.076 1120 A CA 0.774 52.744 52.037 -0.112 0.000 0.767 1120 A CB -0.458 18.562 19.000 0.034 0.000 1.017 1120 A HN 1.385 nan 8.150 nan 0.000 0.511 1121 M N 1.064 120.480 119.600 -0.308 0.000 2.557 1121 M HA -0.033 4.448 4.480 0.000 0.000 0.259 1121 M C 1.446 177.682 176.300 -0.107 0.000 1.086 1121 M CA 1.678 56.691 55.300 -0.477 0.000 1.096 1121 M CB -0.355 31.690 32.600 -0.925 0.000 1.424 1121 M HN 0.755 nan 8.290 nan 0.000 0.488 1122 R N -0.833 119.682 120.500 0.025 0.000 2.313 1122 R HA 0.179 4.519 4.340 0.000 0.000 0.199 1122 R C 0.320 176.640 176.300 0.034 0.000 0.958 1122 R CA 0.350 56.472 56.100 0.036 0.000 1.047 1122 R CB -0.341 29.975 30.300 0.026 0.000 0.955 1122 R HN 0.305 nan 8.270 nan 0.000 0.481 1123 F N 1.457 121.372 119.950 -0.058 0.000 2.485 1123 F HA 0.099 4.626 4.527 0.000 0.000 0.274 1123 F C 1.629 177.428 175.800 -0.002 0.000 0.963 1123 F CA 0.562 58.544 58.000 -0.029 0.000 1.169 1123 F CB -0.800 38.179 39.000 -0.034 0.000 1.145 1123 F HN -0.061 nan 8.300 nan 0.000 0.682 1124 T N -0.455 114.220 114.554 0.201 0.000 2.560 1124 T HA 0.200 4.550 4.350 0.000 0.000 0.354 1124 T C -0.261 174.580 174.700 0.235 0.000 1.051 1124 T CA -0.277 61.936 62.100 0.189 0.000 1.032 1124 T CB 0.894 69.768 68.868 0.010 0.000 1.057 1124 T HN 0.293 nan 8.240 nan 0.000 0.529 1125 E N -1.324 119.090 120.200 0.356 0.000 2.378 1125 E HA 0.555 4.906 4.350 0.000 0.000 0.283 1125 E C -1.360 175.449 176.600 0.349 0.000 0.979 1125 E CA -0.775 55.783 56.400 0.265 0.000 0.795 1125 E CB 1.848 31.600 29.700 0.087 0.000 1.221 1125 E HN 1.062 nan 8.360 nan 0.000 0.428 1126 A N 2.577 125.632 122.820 0.392 0.000 2.568 1126 A HA 0.971 5.291 4.320 0.000 0.000 0.291 1126 A C -1.300 176.428 177.584 0.239 0.000 1.159 1126 A CA -0.554 51.697 52.037 0.356 0.000 0.679 1126 A CB 1.694 20.829 19.000 0.224 0.000 1.285 1126 A HN 0.691 nan 8.150 nan 0.000 0.428 1127 R N -0.941 119.606 120.500 0.078 0.000 2.855 1127 R HA 0.577 4.918 4.340 0.000 0.000 0.274 1127 R C -1.284 174.982 176.300 -0.057 0.000 0.997 1127 R CA -0.903 55.168 56.100 -0.048 0.000 0.856 1127 R CB 0.387 30.551 30.300 -0.228 0.000 1.378 1127 R HN 0.609 nan 8.270 nan 0.000 0.462 1128 M N 1.532 121.095 119.600 -0.061 0.000 2.228 1128 M HA 0.255 4.735 4.480 0.000 0.000 0.326 1128 M C 0.171 176.448 176.300 -0.039 0.000 1.122 1128 M CA -0.151 55.127 55.300 -0.037 0.000 1.161 1128 M CB 1.503 34.091 32.600 -0.019 0.000 1.437 1128 M HN 0.794 nan 8.290 nan 0.000 0.465 1129 T N -1.670 112.875 114.554 -0.014 0.000 2.934 1129 T HA 0.361 4.711 4.350 0.000 0.000 0.283 1129 T C 0.704 175.430 174.700 0.044 0.000 1.005 1129 T CA -0.954 61.152 62.100 0.011 0.000 1.041 1129 T CB 1.397 70.277 68.868 0.020 0.000 1.042 1129 T HN 0.636 nan 8.240 nan 0.000 0.505 1130 K N 0.302 120.760 120.400 0.096 0.000 2.074 1130 K HA -0.096 4.224 4.320 0.000 0.000 0.209 1130 K C 1.971 178.681 176.600 0.182 0.000 1.048 1130 K CA 1.471 57.863 56.287 0.174 0.000 0.926 1130 K CB -0.317 32.338 32.500 0.258 0.000 0.713 1130 K HN 0.663 nan 8.250 nan 0.000 0.444 1131 I N 0.696 121.281 120.570 0.026 0.000 2.439 1131 I HA -0.188 3.983 4.170 0.000 0.000 0.251 1131 I C 1.535 177.554 176.117 -0.163 0.000 1.139 1131 I CA 1.748 62.736 61.300 -0.520 0.000 1.438 1131 I CB -0.764 36.677 38.000 -0.931 0.000 1.085 1131 I HN 0.080 nan 8.210 nan 0.000 0.427 1132 T N 2.492 117.037 114.554 -0.016 0.000 2.778 1132 T HA -0.149 4.201 4.350 0.000 0.000 0.269 1132 T C 1.977 176.707 174.700 0.049 0.000 1.050 1132 T CA 1.163 63.289 62.100 0.044 0.000 1.137 1132 T CB -0.282 68.602 68.868 0.027 0.000 0.860 1132 T HN 0.268 nan 8.240 nan 0.000 0.468 1133 L N 1.049 122.298 121.223 0.043 0.000 2.349 1133 L HA -0.063 4.277 4.340 0.000 0.000 0.220 1133 L C 2.167 179.081 176.870 0.073 0.000 1.130 1133 L CA 1.656 56.533 54.840 0.061 0.000 0.791 1133 L CB -0.642 41.464 42.059 0.078 0.000 0.918 1133 L HN 0.330 nan 8.230 nan 0.000 0.444 1134 E N -0.924 119.318 120.200 0.071 0.000 2.447 1134 E HA 0.043 4.394 4.350 0.000 0.000 0.195 1134 E C 2.108 178.795 176.600 0.145 0.000 1.028 1134 E CA 0.185 56.656 56.400 0.117 0.000 0.876 1134 E CB 0.450 30.200 29.700 0.084 0.000 0.885 1134 E HN 0.475 nan 8.360 nan 0.000 0.500 1135 L N -0.039 121.245 121.223 0.101 0.000 2.477 1135 L HA 0.092 4.432 4.340 0.000 0.000 0.220 1135 L C 1.639 178.522 176.870 0.021 0.000 1.106 1135 L CA 0.202 55.041 54.840 -0.002 0.000 0.851 1135 L CB 0.228 42.245 42.059 -0.071 0.000 0.994 1135 L HN 0.057 nan 8.230 nan 0.000 0.462 1136 L N -0.345 120.909 121.223 0.052 0.000 2.693 1136 L HA 0.155 4.495 4.340 0.000 0.000 0.235 1136 L C 1.126 178.036 176.870 0.067 0.000 1.127 1136 L CA 0.105 54.984 54.840 0.065 0.000 0.914 1136 L CB -0.291 41.814 42.059 0.076 0.000 1.193 1136 L HN 0.201 nan 8.230 nan 0.000 0.502 1137 R N 1.963 122.503 120.500 0.067 0.000 2.619 1137 R HA -0.115 4.225 4.340 0.000 0.000 0.268 1137 R C 0.188 176.521 176.300 0.055 0.000 0.990 1137 R CA 0.690 56.831 56.100 0.068 0.000 1.092 1137 R CB 0.059 30.406 30.300 0.078 0.000 0.935 1137 R HN 0.345 nan 8.270 nan 0.000 0.415 1138 D N 2.090 122.525 120.400 0.058 0.000 2.713 1138 D HA -0.272 4.368 4.640 0.000 0.000 0.231 1138 D C 0.630 176.943 176.300 0.022 0.000 1.173 1138 D CA 1.008 55.037 54.000 0.047 0.000 0.628 1138 D CB -1.170 39.657 40.800 0.045 0.000 1.033 1138 D HN 0.606 nan 8.370 nan 0.000 0.419 1139 I N -0.802 119.795 120.570 0.046 0.000 2.617 1139 I HA -0.146 4.025 4.170 0.000 0.000 0.256 1139 I C 1.101 177.268 176.117 0.083 0.000 1.167 1139 I CA 0.757 62.087 61.300 0.050 0.000 1.469 1139 I CB 0.100 38.173 38.000 0.123 0.000 1.098 1139 I HN 0.118 nan 8.210 nan 0.000 0.436 1140 N N 1.177 119.919 118.700 0.070 0.000 2.280 1140 N HA 0.016 4.757 4.740 0.000 0.000 0.192 1140 N C 0.061 175.471 175.510 -0.166 0.000 1.109 1140 N CA 0.288 53.362 53.050 0.039 0.000 0.855 1140 N CB 0.335 38.864 38.487 0.070 0.000 0.974 1140 N HN 0.168 nan 8.380 nan 0.000 0.482 1141 K N 1.283 121.565 120.400 -0.198 0.000 3.127 1141 K HA 0.077 4.397 4.320 0.000 0.000 0.236 1141 K C -0.617 175.703 176.600 -0.466 0.000 1.271 1141 K CA -0.285 55.712 56.287 -0.483 0.000 1.224 1141 K CB -0.166 32.364 32.500 0.049 0.000 1.482 1141 K HN -0.083 nan 8.250 nan 0.000 0.435 1142 D N 0.849 120.981 120.400 -0.446 0.000 2.829 1142 D HA -0.204 4.436 4.640 0.000 0.000 0.219 1142 D C 0.170 176.386 176.300 -0.140 0.000 1.239 1142 D CA 1.444 55.304 54.000 -0.233 0.000 0.685 1142 D CB -0.615 40.037 40.800 -0.248 0.000 0.950 1142 D HN 0.546 nan 8.370 nan 0.000 0.398 1143 T N -1.303 113.170 114.554 -0.136 0.000 3.003 1143 T HA 0.258 4.608 4.350 0.000 0.000 0.261 1143 T C 1.154 175.750 174.700 -0.173 0.000 1.003 1143 T CA 0.011 62.029 62.100 -0.137 0.000 0.917 1143 T CB -0.076 68.716 68.868 -0.126 0.000 1.084 1143 T HN 0.530 nan 8.240 nan 0.000 0.522 1144 I N -1.291 119.150 120.570 -0.216 0.000 2.608 1144 I HA 0.704 4.874 4.170 0.000 0.000 0.295 1144 I C -1.864 174.061 176.117 -0.319 0.000 1.049 1144 I CA -1.100 60.030 61.300 -0.284 0.000 1.063 1144 I CB 2.003 39.762 38.000 -0.401 0.000 1.248 1144 I HN -0.317 nan 8.210 nan 0.000 0.424 1145 D N 5.639 125.901 120.400 -0.229 0.000 2.417 1145 D HA 0.296 4.936 4.640 0.000 0.000 0.250 1145 D C -0.921 175.241 176.300 -0.230 0.000 1.166 1145 D CA 0.758 54.666 54.000 -0.153 0.000 0.881 1145 D CB 0.492 41.240 40.800 -0.086 0.000 1.164 1145 D HN 0.320 nan 8.370 nan 0.000 0.467 1146 F N 2.276 122.182 119.950 -0.073 0.000 2.385 1146 F HA 0.397 4.924 4.527 0.000 0.000 0.336 1146 F C 0.849 176.613 175.800 -0.060 0.000 1.100 1146 F CA -0.758 57.191 58.000 -0.087 0.000 1.116 1146 F CB 0.757 39.708 39.000 -0.080 0.000 1.166 1146 F HN 0.150 nan 8.300 nan 0.000 0.511 1147 I N -0.513 120.142 120.570 0.142 0.000 3.100 1147 I HA 0.484 4.654 4.170 0.000 0.000 0.312 1147 I C -0.537 175.638 176.117 0.096 0.000 1.063 1147 I CA -1.227 60.127 61.300 0.090 0.000 1.031 1147 I CB 1.194 39.222 38.000 0.047 0.000 1.243 1147 I HN 0.347 nan 8.210 nan 0.000 0.483 1148 D N 1.970 122.412 120.400 0.071 0.000 2.354 1148 D HA 0.156 4.797 4.640 0.000 0.000 0.247 1148 D C -0.368 175.979 176.300 0.077 0.000 1.138 1148 D CA -0.138 53.901 54.000 0.064 0.000 0.958 1148 D CB 0.791 41.623 40.800 0.054 0.000 1.144 1148 D HN 0.595 nan 8.370 nan 0.000 0.458 1149 N N -0.386 118.353 118.700 0.065 0.000 2.476 1149 N HA -0.039 4.702 4.740 0.000 0.000 0.287 1149 N C 1.104 176.641 175.510 0.045 0.000 1.262 1149 N CA -0.457 52.639 53.050 0.076 0.000 0.980 1149 N CB -0.073 38.431 38.487 0.028 0.000 1.163 1149 N HN 0.581 nan 8.380 nan 0.000 0.592 1150 Y N -0.979 119.381 120.300 0.099 0.000 2.207 1150 Y HA -0.128 4.422 4.550 0.000 0.000 0.287 1150 Y C 1.050 177.041 175.900 0.151 0.000 1.156 1150 Y CA 1.788 59.956 58.100 0.114 0.000 1.182 1150 Y CB -0.672 37.834 38.460 0.077 0.000 0.979 1150 Y HN 0.601 nan 8.280 nan 0.000 0.521 1151 D N -1.116 119.134 120.400 -0.250 0.000 2.349 1151 D HA 0.229 4.869 4.640 0.000 0.000 0.214 1151 D C 1.778 178.053 176.300 -0.041 0.000 1.063 1151 D CA 0.506 54.467 54.000 -0.065 0.000 0.847 1151 D CB 0.333 41.026 40.800 -0.179 0.000 0.933 1151 D HN 0.584 nan 8.370 nan 0.000 0.513 1152 G N 0.083 108.856 108.800 -0.045 0.000 2.217 1152 G HA2 -0.387 3.573 3.960 0.000 0.000 0.246 1152 G HA3 -0.387 3.573 3.960 0.000 0.000 0.246 1152 G C 1.142 176.043 174.900 0.001 0.000 0.990 1152 G CA 0.358 45.475 45.100 0.027 0.000 0.627 1152 G HN 0.313 nan 8.290 nan 0.000 0.522 1153 N N 1.073 119.741 118.700 -0.053 0.000 2.093 1153 N HA 0.075 4.815 4.740 0.000 0.000 0.191 1153 N C 1.246 176.731 175.510 -0.042 0.000 1.062 1153 N CA 1.281 54.299 53.050 -0.054 0.000 0.854 1153 N CB -0.292 38.147 38.487 -0.079 0.000 1.043 1153 N HN 0.588 nan 8.380 nan 0.000 0.438 1154 E N 1.148 121.324 120.200 -0.041 0.000 2.605 1154 E HA 0.150 4.500 4.350 0.000 0.000 0.255 1154 E C 0.031 176.673 176.600 0.070 0.000 1.369 1154 E CA 0.109 56.525 56.400 0.026 0.000 1.017 1154 E CB 0.649 30.385 29.700 0.060 0.000 1.086 1154 E HN 0.184 nan 8.360 nan 0.000 0.605 1155 R N 1.182 121.756 120.500 0.122 0.000 2.502 1155 R HA 0.241 4.581 4.340 0.000 0.000 0.300 1155 R C -0.159 176.237 176.300 0.161 0.000 0.984 1155 R CA -0.412 55.739 56.100 0.085 0.000 0.882 1155 R CB 1.615 31.855 30.300 -0.099 0.000 1.180 1155 R HN 0.616 nan 8.270 nan 0.000 0.444 1156 E N 2.974 123.250 120.200 0.127 0.000 2.243 1156 E HA 0.659 5.010 4.350 0.000 0.000 0.260 1156 E C -2.565 174.003 176.600 -0.054 0.000 0.985 1156 E CA -2.295 54.029 56.400 -0.126 0.000 0.858 1156 E CB 1.490 31.102 29.700 -0.148 0.000 1.210 1156 E HN 0.093 nan 8.360 nan 0.000 0.411 1157 P HA 0.104 nan 4.420 nan 0.000 0.287 1157 P C 0.018 177.138 177.300 -0.301 0.000 1.279 1157 P CA -0.641 62.157 63.100 -0.503 0.000 0.867 1157 P CB 1.530 32.821 31.700 -0.682 0.000 1.127 1158 S N 0.490 116.026 115.700 -0.274 0.000 2.478 1158 S HA 0.186 4.657 4.470 0.000 0.000 0.222 1158 S C 0.540 175.052 174.600 -0.146 0.000 1.008 1158 S CA 0.322 58.426 58.200 -0.159 0.000 0.928 1158 S CB -0.300 62.826 63.200 -0.123 0.000 0.781 1158 S HN 0.426 nan 8.310 nan 0.000 0.518 1159 V N 1.205 121.007 119.914 -0.186 0.000 2.851 1159 V HA 0.402 4.522 4.120 0.000 0.000 0.290 1159 V C -1.566 174.442 176.094 -0.144 0.000 1.330 1159 V CA -1.167 61.048 62.300 -0.142 0.000 0.944 1159 V CB 1.430 33.193 31.823 -0.100 0.000 1.090 1159 V HN 0.407 nan 8.190 nan 0.000 0.436 1160 L N 7.324 128.475 121.223 -0.121 0.000 2.439 1160 L HA 0.395 4.735 4.340 0.000 0.000 0.269 1160 L C -1.335 175.530 176.870 -0.008 0.000 1.179 1160 L CA -1.363 53.429 54.840 -0.079 0.000 0.828 1160 L CB 0.565 42.593 42.059 -0.052 0.000 1.106 1160 L HN 0.445 nan 8.230 nan 0.000 0.467 1161 P HA -0.220 nan 4.420 nan 0.000 0.218 1161 P C 0.471 177.868 177.300 0.162 0.000 1.146 1161 P CA 1.234 64.396 63.100 0.103 0.000 0.813 1161 P CB 0.051 31.762 31.700 0.020 0.000 0.778 1162 A N -0.135 122.703 122.820 0.029 0.000 1.978 1162 A HA -0.224 4.096 4.320 0.000 0.000 0.260 1162 A C 0.960 178.572 177.584 0.048 0.000 1.340 1162 A CA 0.410 52.405 52.037 -0.069 0.000 0.740 1162 A CB -1.397 17.512 19.000 -0.152 0.000 1.189 1162 A HN 0.169 nan 8.150 nan 0.000 0.299 1163 R N -0.052 120.502 120.500 0.089 0.000 2.391 1163 R HA 0.277 4.617 4.340 0.000 0.000 0.225 1163 R C 0.170 176.684 176.300 0.357 0.000 1.079 1163 R CA 1.258 57.474 56.100 0.194 0.000 1.147 1163 R CB -1.320 29.081 30.300 0.168 0.000 1.103 1163 R HN 1.123 nan 8.270 nan 0.000 0.499 1164 F N -3.150 116.896 119.950 0.160 0.000 2.741 1164 F HA 0.502 5.030 4.527 0.001 0.000 0.313 1164 F C -2.948 172.763 175.800 -0.148 0.000 1.153 1164 F CA -3.078 54.948 58.000 0.044 0.000 0.931 1164 F CB 1.258 40.193 39.000 -0.108 0.000 1.335 1164 F HN -0.306 nan 8.300 nan 0.000 0.460 1165 P HA 0.201 nan 4.420 nan 0.000 0.225 1165 P C -0.021 177.085 177.300 -0.323 0.000 1.813 1165 P CA 0.153 62.832 63.100 -0.701 0.000 1.013 1165 P CB 0.188 31.409 31.700 -0.798 0.000 1.961 1166 N N 2.178 120.594 118.700 -0.473 0.000 2.192 1166 N HA -0.188 4.552 4.740 0.000 0.000 0.188 1166 N C 1.446 176.899 175.510 -0.094 0.000 1.013 1166 N CA 1.120 54.008 53.050 -0.271 0.000 0.863 1166 N CB -0.636 37.589 38.487 -0.437 0.000 0.990 1166 N HN 0.081 nan 8.380 nan 0.000 0.430 1167 L N 0.671 121.816 121.223 -0.129 0.000 1.955 1167 L HA -0.138 4.203 4.340 0.000 0.000 0.213 1167 L C 1.985 178.850 176.870 -0.008 0.000 1.072 1167 L CA 1.756 56.556 54.840 -0.067 0.000 0.755 1167 L CB -1.314 40.703 42.059 -0.071 0.000 0.888 1167 L HN 0.350 nan 8.230 nan 0.000 0.432 1168 L N -0.214 120.991 121.223 -0.030 0.000 1.994 1168 L HA -0.182 4.158 4.340 0.000 0.000 0.208 1168 L C 2.840 179.829 176.870 0.197 0.000 1.071 1168 L CA 1.343 56.214 54.840 0.052 0.000 0.745 1168 L CB -0.912 41.063 42.059 -0.139 0.000 0.892 1168 L HN 0.372 nan 8.230 nan 0.000 0.431 1169 A N 0.156 123.048 122.820 0.119 0.000 1.892 1169 A HA -0.249 4.071 4.320 0.000 0.000 0.218 1169 A C 2.081 179.842 177.584 0.295 0.000 1.188 1169 A CA 2.400 54.562 52.037 0.208 0.000 0.631 1169 A CB -0.547 18.521 19.000 0.114 0.000 0.822 1169 A HN 0.448 nan 8.150 nan 0.000 0.447 1170 N N -1.368 117.468 118.700 0.227 0.000 2.368 1170 N HA 0.304 5.044 4.740 0.000 0.000 0.178 1170 N C 0.929 176.447 175.510 0.012 0.000 1.021 1170 N CA 1.366 54.519 53.050 0.171 0.000 0.875 1170 N CB 0.293 38.916 38.487 0.226 0.000 1.020 1170 N HN 0.787 nan 8.380 nan 0.000 0.433 1171 G N -0.603 108.211 108.800 0.022 0.000 2.541 1171 G HA2 0.337 4.297 3.960 0.000 0.000 0.686 1171 G HA3 0.337 4.297 3.960 0.000 0.000 0.686 1171 G C -1.555 173.336 174.900 -0.015 0.000 1.286 1171 G CA -0.367 44.745 45.100 0.019 0.000 0.894 1171 G HN 0.457 nan 8.290 nan 0.000 0.575 1172 A N -0.592 122.254 122.820 0.043 0.000 2.455 1172 A HA 1.059 5.380 4.320 0.000 0.000 0.300 1172 A C -0.014 177.622 177.584 0.087 0.000 1.040 1172 A CA 0.664 52.724 52.037 0.037 0.000 0.697 1172 A CB 1.672 20.689 19.000 0.029 0.000 1.265 1172 A HN 2.494 nan 8.150 nan 0.000 0.407 1173 S N 0.867 116.612 115.700 0.076 0.000 2.547 1173 S HA 0.933 5.404 4.470 0.000 0.000 0.281 1173 S C -0.381 174.258 174.600 0.064 0.000 1.118 1173 S CA -0.090 58.157 58.200 0.077 0.000 0.947 1173 S CB 1.655 64.916 63.200 0.101 0.000 1.053 1173 S HN 2.417 nan 8.310 nan 0.000 0.482 1174 G N 1.342 110.167 108.800 0.041 0.000 2.633 1174 G HA2 0.505 4.466 3.960 0.000 0.000 0.299 1174 G HA3 0.505 4.466 3.960 0.000 0.000 0.299 1174 G C -1.572 173.341 174.900 0.021 0.000 1.501 1174 G CA -0.843 44.280 45.100 0.038 0.000 0.887 1174 G HN 0.851 nan 8.290 nan 0.000 0.561 1175 I N 2.604 123.186 120.570 0.020 0.000 2.412 1175 I HA 0.470 4.640 4.170 0.000 0.000 0.279 1175 I C 1.054 177.176 176.117 0.007 0.000 1.063 1175 I CA -0.572 60.738 61.300 0.017 0.000 1.193 1175 I CB 1.149 39.162 38.000 0.023 0.000 1.370 1175 I HN 0.685 nan 8.210 nan 0.000 0.479 1176 A N 5.993 128.814 122.820 0.002 0.000 3.364 1176 A HA 0.631 4.951 4.320 0.000 0.000 0.157 1176 A C 0.224 177.800 177.584 -0.015 0.000 1.964 1176 A CA 0.006 52.026 52.037 -0.029 0.000 1.162 1176 A CB 0.320 19.305 19.000 -0.025 0.000 1.836 1176 A HN 0.357 nan 8.150 nan 0.000 0.802 1177 V N -1.416 118.492 119.914 -0.009 0.000 2.569 1177 V HA 0.560 4.680 4.120 0.000 0.000 0.301 1177 V C 0.820 176.983 176.094 0.114 0.000 1.044 1177 V CA 0.470 62.814 62.300 0.072 0.000 0.874 1177 V CB 0.685 32.528 31.823 0.032 0.000 1.002 1177 V HN 1.933 nan 8.190 nan 0.000 0.424 1178 G N 4.826 113.715 108.800 0.147 0.000 2.234 1178 G HA2 -0.229 3.731 3.960 0.000 0.000 0.260 1178 G HA3 -0.229 3.731 3.960 0.000 0.000 0.260 1178 G C 0.045 174.997 174.900 0.088 0.000 0.987 1178 G CA 0.791 45.971 45.100 0.134 0.000 0.625 1178 G HN 1.186 nan 8.290 nan 0.000 0.532 1179 M N -2.064 117.576 119.600 0.067 0.000 2.534 1179 M HA 0.801 5.282 4.480 0.000 0.000 0.280 1179 M C -0.886 175.432 176.300 0.031 0.000 1.217 1179 M CA -0.442 54.886 55.300 0.045 0.000 0.893 1179 M CB 1.899 34.524 32.600 0.042 0.000 1.730 1179 M HN 1.517 nan 8.290 nan 0.000 0.483 1180 A N 0.875 123.708 122.820 0.022 0.000 2.566 1180 A HA 0.911 5.231 4.320 0.000 0.000 0.292 1180 A C -1.229 176.361 177.584 0.010 0.000 1.112 1180 A CA -0.672 51.373 52.037 0.014 0.000 0.707 1180 A CB 2.196 21.202 19.000 0.010 0.000 1.302 1180 A HN 0.899 nan 8.150 nan 0.000 0.409 1181 T N 0.138 114.698 114.554 0.011 0.000 2.887 1181 T HA 0.627 4.977 4.350 0.000 0.000 0.288 1181 T C -1.213 173.498 174.700 0.018 0.000 1.021 1181 T CA -0.434 61.676 62.100 0.017 0.000 1.000 1181 T CB 0.677 69.559 68.868 0.023 0.000 1.034 1181 T HN 0.609 nan 8.240 nan 0.000 0.467 1182 N N 3.637 122.357 118.700 0.034 0.000 2.751 1182 N HA 0.369 5.110 4.740 0.000 0.000 0.234 1182 N C -1.721 173.901 175.510 0.186 0.000 1.403 1182 N CA -0.323 52.760 53.050 0.055 0.000 0.747 1182 N CB 0.102 38.529 38.487 -0.099 0.000 1.326 1182 N HN 0.428 nan 8.380 nan 0.000 0.532 1183 I N 2.235 122.916 120.570 0.185 0.000 2.392 1183 I HA 0.529 4.700 4.170 0.000 0.000 0.295 1183 I C -2.051 174.155 176.117 0.149 0.000 0.985 1183 I CA -2.091 59.319 61.300 0.183 0.000 1.221 1183 I CB 1.531 39.608 38.000 0.129 0.000 1.366 1183 I HN 0.258 nan 8.210 nan 0.000 0.467 1184 P HA 0.432 nan 4.420 nan 0.000 0.290 1184 P C -2.739 174.381 177.300 -0.301 0.000 1.283 1184 P CA -2.147 60.727 63.100 -0.376 0.000 0.869 1184 P CB 0.577 31.879 31.700 -0.663 0.000 1.100 1185 P HA 0.129 nan 4.420 nan 0.000 0.271 1185 P C -0.765 176.295 177.300 -0.401 0.000 1.233 1185 P CA 0.467 63.518 63.100 -0.081 0.000 0.789 1185 P CB 0.356 32.112 31.700 0.093 0.000 0.951 1186 H N -1.679 117.407 119.070 0.027 0.000 2.946 1186 H HA 0.295 4.851 4.556 0.000 0.000 0.365 1186 H C 0.293 175.679 175.328 0.096 0.000 1.197 1186 H CA -0.780 55.267 56.048 -0.001 0.000 1.131 1186 H CB 0.837 30.599 29.762 -0.001 0.000 1.849 1186 H HN 0.347 nan 8.280 nan 0.000 0.555 1187 N N 1.411 120.218 118.700 0.179 0.000 2.518 1187 N HA -0.053 4.687 4.740 0.000 0.000 0.266 1187 N C 0.642 176.255 175.510 0.171 0.000 1.196 1187 N CA -0.040 53.129 53.050 0.199 0.000 0.947 1187 N CB 1.026 39.577 38.487 0.106 0.000 1.098 1187 N HN 0.539 nan 8.380 nan 0.000 0.450 1188 L N 4.084 125.420 121.223 0.188 0.000 2.044 1188 L HA -0.070 4.270 4.340 0.000 0.000 0.205 1188 L C 2.198 179.054 176.870 -0.023 0.000 1.075 1188 L CA 1.767 56.577 54.840 -0.049 0.000 0.747 1188 L CB -1.018 40.833 42.059 -0.346 0.000 0.903 1188 L HN 0.691 nan 8.230 nan 0.000 0.435 1189 T N -0.314 114.255 114.554 0.025 0.000 2.653 1189 T HA -0.268 4.083 4.350 0.000 0.000 0.268 1189 T C 1.671 176.375 174.700 0.006 0.000 1.035 1189 T CA 2.097 64.206 62.100 0.016 0.000 1.154 1189 T CB -0.378 68.509 68.868 0.031 0.000 0.862 1189 T HN 0.480 nan 8.240 nan 0.000 0.441 1190 E N 0.664 120.873 120.200 0.015 0.000 2.051 1190 E HA -0.044 4.306 4.350 0.000 0.000 0.192 1190 E C 2.373 178.955 176.600 -0.030 0.000 0.991 1190 E CA 0.790 57.190 56.400 -0.000 0.000 0.799 1190 E CB -0.340 29.369 29.700 0.016 0.000 0.748 1190 E HN 0.369 nan 8.360 nan 0.000 0.449 1191 L N 0.822 122.023 121.223 -0.037 0.000 1.990 1191 L HA -0.261 4.080 4.340 0.000 0.000 0.213 1191 L C 2.555 179.374 176.870 -0.085 0.000 1.072 1191 L CA 1.332 56.117 54.840 -0.092 0.000 0.755 1191 L CB -0.411 41.585 42.059 -0.104 0.000 0.889 1191 L HN 0.222 nan 8.230 nan 0.000 0.432 1192 I N -0.349 120.189 120.570 -0.054 0.000 2.286 1192 I HA -0.286 3.884 4.170 0.000 0.000 0.248 1192 I C 2.115 178.228 176.117 -0.008 0.000 1.115 1192 I CA 0.883 62.172 61.300 -0.019 0.000 1.392 1192 I CB -0.375 37.626 38.000 0.001 0.000 1.065 1192 I HN 0.355 nan 8.210 nan 0.000 0.418 1193 N N 1.112 119.802 118.700 -0.016 0.000 2.149 1193 N HA -0.136 4.604 4.740 0.000 0.000 0.188 1193 N C 1.821 177.317 175.510 -0.023 0.000 1.019 1193 N CA 1.618 54.659 53.050 -0.014 0.000 0.857 1193 N CB -0.558 37.921 38.487 -0.014 0.000 0.997 1193 N HN 0.422 nan 8.380 nan 0.000 0.426 1194 G N -0.210 108.565 108.800 -0.042 0.000 2.453 1194 G HA2 -0.071 3.889 3.960 0.000 0.000 0.215 1194 G HA3 -0.071 3.889 3.960 0.000 0.000 0.215 1194 G C 1.649 176.526 174.900 -0.037 0.000 1.147 1194 G CA 0.294 45.361 45.100 -0.055 0.000 0.802 1194 G HN 0.166 nan 8.290 nan 0.000 0.535 1195 V N 1.125 121.027 119.914 -0.020 0.000 2.392 1195 V HA -0.161 3.959 4.120 0.000 0.000 0.249 1195 V C 2.875 178.988 176.094 0.031 0.000 1.059 1195 V CA 1.499 63.817 62.300 0.030 0.000 1.051 1195 V CB -0.406 31.472 31.823 0.092 0.000 0.658 1195 V HN 0.332 nan 8.190 nan 0.000 0.455 1196 L N -0.579 120.656 121.223 0.020 0.000 2.072 1196 L HA -0.102 4.238 4.340 0.000 0.000 0.205 1196 L C 2.638 179.509 176.870 0.001 0.000 1.079 1196 L CA 1.475 56.324 54.840 0.015 0.000 0.752 1196 L CB -0.716 41.351 42.059 0.014 0.000 0.906 1196 L HN 0.227 nan 8.230 nan 0.000 0.436 1197 S N 0.424 116.119 115.700 -0.009 0.000 2.359 1197 S HA -0.229 4.241 4.470 0.000 0.000 0.223 1197 S C 1.914 176.504 174.600 -0.018 0.000 1.039 1197 S CA 1.763 59.954 58.200 -0.016 0.000 1.042 1197 S CB -0.557 62.627 63.200 -0.026 0.000 0.915 1197 S HN 0.317 nan 8.310 nan 0.000 0.439 1198 L N 2.569 123.780 121.223 -0.020 0.000 2.137 1198 L HA -0.158 4.183 4.340 0.000 0.000 0.213 1198 L C 2.256 179.115 176.870 -0.018 0.000 1.085 1198 L CA 2.301 57.127 54.840 -0.023 0.000 0.760 1198 L CB -1.068 40.977 42.059 -0.022 0.000 0.893 1198 L HN 0.435 nan 8.230 nan 0.000 0.434 1199 S N -1.750 113.944 115.700 -0.010 0.000 2.447 1199 S HA -0.181 4.289 4.470 0.000 0.000 0.233 1199 S C 1.953 176.545 174.600 -0.015 0.000 1.006 1199 S CA 1.243 59.436 58.200 -0.012 0.000 0.957 1199 S CB -0.346 62.851 63.200 -0.005 0.000 0.773 1199 S HN 0.618 nan 8.310 nan 0.000 0.507 1200 K N 0.666 121.057 120.400 -0.014 0.000 2.244 1200 K HA 0.249 4.569 4.320 0.000 0.000 0.200 1200 K C 0.312 176.902 176.600 -0.017 0.000 1.052 1200 K CA 0.446 56.725 56.287 -0.014 0.000 0.980 1200 K CB 0.106 32.599 32.500 -0.012 0.000 0.838 1200 K HN 0.246 nan 8.250 nan 0.000 0.481 1201 N N 0.654 119.342 118.700 -0.019 0.000 2.851 1201 N HA 0.198 4.938 4.740 0.000 0.000 0.248 1201 N C -2.450 173.045 175.510 -0.026 0.000 1.221 1201 N CA -2.222 50.815 53.050 -0.021 0.000 0.847 1201 N CB 1.197 39.672 38.487 -0.020 0.000 1.150 1201 N HN -0.206 nan 8.380 nan 0.000 0.507 1202 P HA -0.132 nan 4.420 nan 0.000 0.216 1202 P C -0.495 176.785 177.300 -0.033 0.000 1.154 1202 P CA 1.407 64.488 63.100 -0.033 0.000 0.865 1202 P CB 0.107 31.787 31.700 -0.032 0.000 0.789 1203 D N -0.346 120.038 120.400 -0.027 0.000 3.110 1203 D HA 0.105 4.745 4.640 0.000 0.000 0.254 1203 D C 0.382 176.667 176.300 -0.024 0.000 1.283 1203 D CA -0.313 53.672 54.000 -0.025 0.000 0.944 1203 D CB -0.117 40.671 40.800 -0.021 0.000 1.066 1203 D HN 0.236 nan 8.370 nan 0.000 0.496 1204 I N 0.794 121.347 120.570 -0.029 0.000 2.612 1204 I HA 0.102 4.272 4.170 0.000 0.000 0.295 1204 I C 0.369 176.468 176.117 -0.029 0.000 1.011 1204 I CA -0.399 60.884 61.300 -0.029 0.000 1.326 1204 I CB 1.312 39.290 38.000 -0.036 0.000 1.427 1204 I HN 0.064 nan 8.210 nan 0.000 0.537 1205 S N 6.567 122.252 115.700 -0.026 0.000 2.616 1205 S HA 0.332 4.802 4.470 0.000 0.000 0.277 1205 S C 1.141 175.722 174.600 -0.031 0.000 1.234 1205 S CA -0.891 57.296 58.200 -0.022 0.000 1.028 1205 S CB 1.678 64.869 63.200 -0.014 0.000 0.988 1205 S HN 0.626 nan 8.310 nan 0.000 0.522 1206 I N 1.273 121.828 120.570 -0.025 0.000 2.361 1206 I HA -0.155 4.016 4.170 0.000 0.000 0.251 1206 I C 2.712 178.813 176.117 -0.027 0.000 1.133 1206 I CA 1.507 62.786 61.300 -0.035 0.000 1.413 1206 I CB -1.756 36.242 38.000 -0.004 0.000 1.073 1206 I HN 0.904 nan 8.210 nan 0.000 0.424 1207 A N 0.034 122.850 122.820 -0.006 0.000 1.940 1207 A HA -0.233 4.087 4.320 0.000 0.000 0.219 1207 A C 2.260 179.837 177.584 -0.012 0.000 1.176 1207 A CA 1.597 53.636 52.037 0.003 0.000 0.631 1207 A CB -0.541 18.463 19.000 0.006 0.000 0.814 1207 A HN 0.479 nan 8.150 nan 0.000 0.446 1208 E N -0.745 119.440 120.200 -0.025 0.000 2.489 1208 E HA 0.111 4.461 4.350 0.000 0.000 0.193 1208 E C 1.397 177.967 176.600 -0.050 0.000 1.057 1208 E CA -0.050 56.332 56.400 -0.030 0.000 0.866 1208 E CB -0.000 29.684 29.700 -0.026 0.000 0.916 1208 E HN 0.629 nan 8.360 nan 0.000 0.500 1209 L N -0.065 121.112 121.223 -0.076 0.000 2.463 1209 L HA 0.131 4.472 4.340 0.000 0.000 0.219 1209 L C 2.188 178.969 176.870 -0.148 0.000 1.088 1209 L CA 0.137 54.902 54.840 -0.125 0.000 0.849 1209 L CB 0.066 42.019 42.059 -0.177 0.000 1.012 1209 L HN 0.219 nan 8.230 nan 0.000 0.468 1210 M N -0.684 118.857 119.600 -0.097 0.000 2.619 1210 M HA -0.124 4.356 4.480 0.000 0.000 0.251 1210 M C 1.675 177.970 176.300 -0.009 0.000 1.106 1210 M CA 0.999 56.279 55.300 -0.033 0.000 1.086 1210 M CB 0.037 32.675 32.600 0.065 0.000 1.465 1210 M HN 0.190 nan 8.290 nan 0.000 0.506 1211 E N 0.497 120.682 120.200 -0.025 0.000 2.047 1211 E HA -0.187 4.163 4.350 0.000 0.000 0.191 1211 E C 1.201 177.790 176.600 -0.019 0.000 0.987 1211 E CA 1.167 57.557 56.400 -0.016 0.000 0.799 1211 E CB 0.148 29.836 29.700 -0.020 0.000 0.752 1211 E HN 0.556 nan 8.360 nan 0.000 0.449 1212 D N -0.134 120.244 120.400 -0.036 0.000 2.262 1212 D HA 0.011 4.651 4.640 0.000 0.000 0.212 1212 D C 0.298 176.577 176.300 -0.035 0.000 0.964 1212 D CA 0.435 54.414 54.000 -0.035 0.000 0.875 1212 D CB 0.478 41.251 40.800 -0.045 0.000 0.996 1212 D HN 0.076 nan 8.370 nan 0.000 0.497 1213 I N 2.404 122.937 120.570 -0.062 0.000 2.313 1213 I HA 0.054 4.224 4.170 0.000 0.000 0.286 1213 I C 1.297 177.436 176.117 0.037 0.000 1.091 1213 I CA -0.124 61.152 61.300 -0.040 0.000 1.216 1213 I CB 0.936 38.842 38.000 -0.157 0.000 1.434 1213 I HN -0.161 nan 8.210 nan 0.000 0.487 1214 E N 3.558 123.791 120.200 0.056 0.000 2.204 1214 E HA 0.178 4.528 4.350 0.000 0.000 0.194 1214 E C 1.085 177.753 176.600 0.114 0.000 0.989 1214 E CA 0.476 56.916 56.400 0.066 0.000 0.824 1214 E CB 0.169 29.885 29.700 0.027 0.000 0.756 1214 E HN 0.771 nan 8.360 nan 0.000 0.477 1215 G N 0.748 109.635 108.800 0.144 0.000 2.325 1215 G HA2 0.204 4.164 3.960 0.000 0.000 0.295 1215 G HA3 0.204 4.164 3.960 0.000 0.000 0.295 1215 G C -3.142 171.808 174.900 0.083 0.000 1.274 1215 G CA -1.131 44.042 45.100 0.121 0.000 0.857 1215 G HN -0.193 nan 8.290 nan 0.000 0.499 1216 P HA 0.403 nan 4.420 nan 0.000 0.278 1216 P C -1.267 175.629 177.300 -0.673 0.000 1.238 1216 P CA 0.023 62.737 63.100 -0.643 0.000 0.794 1216 P CB 1.346 32.484 31.700 -0.937 0.000 0.955 1217 D N 2.058 122.112 120.400 -0.576 0.000 2.420 1217 D HA 0.297 4.938 4.640 0.000 0.000 0.255 1217 D C -0.903 175.222 176.300 -0.291 0.000 1.185 1217 D CA -0.511 53.248 54.000 -0.403 0.000 0.904 1217 D CB -0.081 40.636 40.800 -0.137 0.000 1.102 1217 D HN -0.052 nan 8.370 nan 0.000 0.534 1218 F N 3.259 123.178 119.950 -0.052 0.000 2.444 1218 F HA 0.259 4.787 4.527 0.000 0.000 0.331 1218 F C -0.737 175.114 175.800 0.085 0.000 1.167 1218 F CA -1.946 56.104 58.000 0.083 0.000 1.262 1218 F CB 0.033 39.167 39.000 0.223 0.000 1.196 1218 F HN 0.262 nan 8.300 nan 0.000 0.583 1219 P HA -0.125 nan 4.420 nan 0.000 0.216 1219 P C 1.199 178.566 177.300 0.111 0.000 1.153 1219 P CA 2.271 65.441 63.100 0.117 0.000 0.844 1219 P CB -0.255 31.476 31.700 0.052 0.000 0.787 1220 T N -4.290 110.348 114.554 0.141 0.000 3.081 1220 T HA 0.459 4.809 4.350 0.000 0.000 0.255 1220 T C 0.984 175.766 174.700 0.135 0.000 1.113 1220 T CA 0.538 62.703 62.100 0.109 0.000 1.082 1220 T CB -0.516 68.384 68.868 0.053 0.000 0.939 1220 T HN 0.360 nan 8.240 nan 0.000 0.506 1221 A N 0.182 123.131 122.820 0.216 0.000 5.920 1221 A HA 0.353 4.673 4.320 0.000 0.000 0.242 1221 A C 1.093 178.801 177.584 0.208 0.000 2.290 1221 A CA 0.332 52.484 52.037 0.192 0.000 0.705 1221 A CB -1.636 17.425 19.000 0.101 0.000 0.960 1221 A HN 2.258 nan 8.150 nan 0.000 0.345 1222 G N -3.206 105.675 108.800 0.135 0.000 2.456 1222 G HA2 0.461 4.421 3.960 0.000 0.000 0.204 1222 G HA3 0.461 4.421 3.960 0.000 0.000 0.204 1222 G C -0.795 174.162 174.900 0.096 0.000 1.193 1222 G CA 0.280 45.452 45.100 0.119 0.000 1.220 1222 G HN 2.051 nan 8.290 nan 0.000 0.565 1223 L N 1.111 122.394 121.223 0.101 0.000 2.408 1223 L HA 0.819 5.160 4.340 0.000 0.000 0.268 1223 L C 0.036 176.946 176.870 0.067 0.000 0.986 1223 L CA -0.688 54.187 54.840 0.059 0.000 0.820 1223 L CB 1.925 44.004 42.059 0.032 0.000 1.303 1223 L HN 0.837 nan 8.230 nan 0.000 0.411 1224 I N 1.169 121.760 120.570 0.034 0.000 2.533 1224 I HA 0.578 4.748 4.170 0.000 0.000 0.290 1224 I C -1.066 175.043 176.117 -0.012 0.000 1.056 1224 I CA -0.926 60.390 61.300 0.027 0.000 1.057 1224 I CB 1.763 39.787 38.000 0.041 0.000 1.240 1224 I HN 0.323 nan 8.210 nan 0.000 0.423 1225 L N 5.238 126.448 121.223 -0.022 0.000 2.326 1225 L HA 0.832 5.173 4.340 0.000 0.000 0.278 1225 L C 0.774 177.627 176.870 -0.028 0.000 1.092 1225 L CA -0.478 54.342 54.840 -0.034 0.000 0.810 1225 L CB 0.796 42.823 42.059 -0.052 0.000 1.153 1225 L HN 1.034 nan 8.230 nan 0.000 0.439 1226 G N 1.920 110.705 108.800 -0.026 0.000 3.295 1226 G HA2 -0.198 3.762 3.960 0.000 0.000 0.686 1226 G HA3 -0.198 3.762 3.960 0.000 0.000 0.686 1226 G C 0.163 175.048 174.900 -0.025 0.000 0.958 1226 G CA -0.528 44.559 45.100 -0.023 0.000 0.787 1226 G HN 0.775 nan 8.290 nan 0.000 0.523 1227 K N 0.827 121.217 120.400 -0.017 0.000 2.365 1227 K HA -0.054 4.266 4.320 0.000 0.000 0.199 1227 K C 2.717 179.307 176.600 -0.017 0.000 1.045 1227 K CA 1.391 57.669 56.287 -0.014 0.000 0.962 1227 K CB -0.044 32.457 32.500 0.002 0.000 0.759 1227 K HN 0.695 nan 8.250 nan 0.000 0.469 1228 S N -0.317 115.373 115.700 -0.016 0.000 2.414 1228 S HA -0.048 4.422 4.470 0.000 0.000 0.227 1228 S C 2.156 176.741 174.600 -0.025 0.000 1.022 1228 S CA 0.788 58.980 58.200 -0.014 0.000 0.958 1228 S CB -0.337 62.858 63.200 -0.008 0.000 0.797 1228 S HN 0.325 nan 8.310 nan 0.000 0.493 1229 G N 1.041 109.821 108.800 -0.033 0.000 2.509 1229 G HA2 0.092 4.053 3.960 0.000 0.000 0.218 1229 G HA3 0.092 4.053 3.960 0.000 0.000 0.218 1229 G C 1.224 176.079 174.900 -0.075 0.000 1.124 1229 G CA 0.682 45.759 45.100 -0.038 0.000 0.776 1229 G HN 0.573 nan 8.290 nan 0.000 0.547 1230 I N -1.306 119.197 120.570 -0.111 0.000 3.300 1230 I HA 0.167 4.338 4.170 0.000 0.000 0.279 1230 I C 2.502 178.490 176.117 -0.214 0.000 1.172 1230 I CA -0.144 61.012 61.300 -0.240 0.000 1.431 1230 I CB -0.019 37.815 38.000 -0.277 0.000 1.240 1230 I HN -0.012 nan 8.210 nan 0.000 0.453 1231 R N 1.442 121.904 120.500 -0.063 0.000 2.185 1231 R HA -0.243 4.098 4.340 0.000 0.000 0.247 1231 R C 2.335 178.657 176.300 0.036 0.000 1.159 1231 R CA 1.741 57.861 56.100 0.034 0.000 0.988 1231 R CB -0.163 30.157 30.300 0.034 0.000 0.871 1231 R HN 0.277 nan 8.270 nan 0.000 0.458 1232 R N -0.438 120.059 120.500 -0.006 0.000 2.066 1232 R HA 0.030 4.370 4.340 0.000 0.000 0.224 1232 R C 1.995 178.299 176.300 0.006 0.000 1.122 1232 R CA 1.053 57.158 56.100 0.008 0.000 0.974 1232 R CB -0.250 30.050 30.300 -0.000 0.000 0.871 1232 R HN 0.217 nan 8.270 nan 0.000 0.435 1233 A N 0.019 122.805 122.820 -0.057 0.000 2.131 1233 A HA -0.153 4.168 4.320 0.000 0.000 0.220 1233 A C 1.193 178.784 177.584 0.012 0.000 1.158 1233 A CA 0.963 52.961 52.037 -0.065 0.000 0.665 1233 A CB -0.405 18.507 19.000 -0.146 0.000 0.795 1233 A HN 0.473 nan 8.150 nan 0.000 0.460 1234 Y N -0.643 119.671 120.300 0.022 0.000 2.497 1234 Y HA 0.144 4.694 4.550 0.000 0.000 0.265 1234 Y C 2.080 177.982 175.900 0.004 0.000 1.111 1234 Y CA 0.435 58.541 58.100 0.010 0.000 1.288 1234 Y CB -0.039 38.422 38.460 0.002 0.000 1.082 1234 Y HN 0.494 nan 8.280 nan 0.000 0.536 1235 E N -1.037 119.260 120.200 0.163 0.000 2.166 1235 E HA -0.051 4.300 4.350 0.000 0.000 0.192 1235 E C 1.581 178.222 176.600 0.070 0.000 0.967 1235 E CA 1.506 57.961 56.400 0.091 0.000 0.840 1235 E CB 0.056 29.795 29.700 0.065 0.000 0.795 1235 E HN 0.302 nan 8.360 nan 0.000 0.470 1236 T N -3.105 111.488 114.554 0.066 0.000 3.040 1236 T HA 0.292 4.642 4.350 0.000 0.000 0.266 1236 T C 1.476 176.207 174.700 0.052 0.000 1.005 1236 T CA 0.416 62.545 62.100 0.048 0.000 0.906 1236 T CB 0.794 69.683 68.868 0.035 0.000 1.082 1236 T HN 0.241 nan 8.240 nan 0.000 0.531 1237 G N 1.768 110.611 108.800 0.071 0.000 2.186 1237 G HA2 -0.286 3.674 3.960 0.000 0.000 0.266 1237 G HA3 -0.286 3.674 3.960 0.000 0.000 0.266 1237 G C 0.113 175.045 174.900 0.054 0.000 0.982 1237 G CA 0.547 45.691 45.100 0.074 0.000 0.670 1237 G HN 0.732 nan 8.290 nan 0.000 0.533 1238 R N -0.871 119.652 120.500 0.039 0.000 2.837 1238 R HA 0.697 5.037 4.340 0.000 0.000 0.271 1238 R C 0.030 176.339 176.300 0.015 0.000 0.993 1238 R CA -0.132 55.984 56.100 0.028 0.000 0.931 1238 R CB 2.209 32.523 30.300 0.023 0.000 1.206 1238 R HN 1.096 nan 8.270 nan 0.000 0.474 1239 G N 0.139 108.946 108.800 0.013 0.000 2.322 1239 G HA2 0.041 4.002 3.960 0.000 0.000 0.289 1239 G HA3 0.041 4.002 3.960 0.000 0.000 0.289 1239 G C -1.508 173.400 174.900 0.014 0.000 1.687 1239 G CA -0.709 44.393 45.100 0.003 0.000 0.944 1239 G HN 0.374 nan 8.290 nan 0.000 0.718 1240 S N 0.172 115.879 115.700 0.012 0.000 2.537 1240 S HA 0.705 5.175 4.470 0.000 0.000 0.275 1240 S C 0.002 174.622 174.600 0.034 0.000 1.272 1240 S CA -0.621 57.594 58.200 0.025 0.000 1.050 1240 S CB 0.534 63.742 63.200 0.012 0.000 0.961 1240 S HN 0.542 nan 8.310 nan 0.000 0.496 1241 I N 4.560 125.175 120.570 0.075 0.000 2.418 1241 I HA 0.357 4.527 4.170 0.000 0.000 0.287 1241 I C -0.724 175.448 176.117 0.091 0.000 1.008 1241 I CA -0.725 60.621 61.300 0.077 0.000 1.104 1241 I CB 1.803 39.860 38.000 0.095 0.000 1.264 1241 I HN 0.610 nan 8.210 nan 0.000 0.438 1242 Q N 7.541 127.374 119.800 0.053 0.000 2.360 1242 Q HA 0.473 4.814 4.340 0.000 0.000 0.254 1242 Q C -0.305 175.726 176.000 0.052 0.000 0.975 1242 Q CA -0.187 55.642 55.803 0.043 0.000 0.912 1242 Q CB 1.879 30.623 28.738 0.010 0.000 1.212 1242 Q HN 0.569 nan 8.270 nan 0.000 0.452 1243 M N 1.563 121.205 119.600 0.071 0.000 2.369 1243 M HA 0.560 5.040 4.480 0.000 0.000 0.291 1243 M C 0.250 176.583 176.300 0.055 0.000 1.178 1243 M CA -0.252 55.099 55.300 0.085 0.000 0.996 1243 M CB 1.372 34.020 32.600 0.080 0.000 1.472 1243 M HN 0.388 nan 8.290 nan 0.000 0.496 1244 R N -1.186 119.358 120.500 0.073 0.000 2.789 1244 R HA 0.440 4.780 4.340 0.000 0.000 0.279 1244 R C -1.613 174.766 176.300 0.131 0.000 1.010 1244 R CA -0.657 55.496 56.100 0.088 0.000 0.855 1244 R CB 2.136 32.404 30.300 -0.053 0.000 1.312 1244 R HN 0.734 nan 8.270 nan 0.000 0.479 1245 S N 0.185 116.008 115.700 0.205 0.000 2.681 1245 S HA 0.399 4.869 4.470 0.000 0.000 0.299 1245 S C -0.461 174.226 174.600 0.144 0.000 1.113 1245 S CA -0.769 57.526 58.200 0.157 0.000 1.013 1245 S CB 1.558 64.839 63.200 0.135 0.000 1.076 1245 S HN 0.451 nan 8.310 nan 0.000 0.534 1246 R N 1.560 122.119 120.500 0.098 0.000 3.266 1246 R HA 0.424 4.764 4.340 0.000 0.000 0.224 1246 R C -0.449 175.894 176.300 0.071 0.000 1.525 1246 R CA -0.264 55.884 56.100 0.080 0.000 1.364 1246 R CB -0.662 29.673 30.300 0.059 0.000 1.276 1246 R HN 0.646 nan 8.270 nan 0.000 0.660 1247 A N 3.526 126.402 122.820 0.093 0.000 2.309 1247 A HA 0.444 4.764 4.320 0.000 0.000 0.290 1247 A C -0.287 177.329 177.584 0.053 0.000 1.206 1247 A CA -0.589 51.484 52.037 0.060 0.000 0.850 1247 A CB 0.753 19.782 19.000 0.049 0.000 1.118 1247 A HN 0.430 nan 8.150 nan 0.000 0.523 1248 V N 1.668 121.601 119.914 0.031 0.000 2.628 1248 V HA 0.651 4.772 4.120 0.000 0.000 0.306 1248 V C -0.329 175.774 176.094 0.015 0.000 1.045 1248 V CA -0.659 61.656 62.300 0.026 0.000 0.905 1248 V CB 1.347 33.183 31.823 0.022 0.000 0.997 1248 V HN 0.647 nan 8.190 nan 0.000 0.436 1249 I N 3.399 123.978 120.570 0.015 0.000 2.382 1249 I HA 0.618 4.789 4.170 0.000 0.000 0.285 1249 I C 0.150 176.271 176.117 0.007 0.000 1.007 1249 I CA -0.325 60.979 61.300 0.008 0.000 1.142 1249 I CB 1.251 39.257 38.000 0.009 0.000 1.289 1249 I HN 0.946 nan 8.210 nan 0.000 0.453 1250 E N 5.745 125.946 120.200 0.003 0.000 2.412 1250 E HA 0.688 5.039 4.350 0.000 0.000 0.255 1250 E C -1.236 175.364 176.600 0.001 0.000 0.933 1250 E CA -1.036 55.366 56.400 0.003 0.000 0.823 1250 E CB 1.744 31.446 29.700 0.003 0.000 1.352 1250 E HN 0.637 nan 8.360 nan 0.000 0.406 1251 E N -0.224 119.977 120.200 0.001 0.000 2.336 1251 E HA 0.336 4.687 4.350 0.000 0.000 0.267 1251 E C 0.139 176.738 176.600 -0.001 0.000 0.906 1251 E CA -1.025 55.375 56.400 -0.000 0.000 0.781 1251 E CB 2.237 31.937 29.700 0.000 0.000 1.261 1251 E HN 0.645 nan 8.360 nan 0.000 0.436 1252 R N 1.355 121.854 120.500 -0.002 0.000 2.335 1252 R HA 0.288 4.628 4.340 0.000 0.000 0.210 1252 R C 0.209 176.508 176.300 -0.001 0.000 0.892 1252 R CA 0.656 56.755 56.100 -0.002 0.000 1.048 1252 R CB 0.329 30.627 30.300 -0.003 0.000 1.067 1252 R HN 0.776 nan 8.270 nan 0.000 0.524 1253 G N -0.129 108.670 108.800 -0.001 0.000 2.785 1253 G HA2 -0.017 3.943 3.960 0.000 0.000 0.686 1253 G HA3 -0.017 3.943 3.960 0.000 0.000 0.686 1253 G C -0.401 174.498 174.900 -0.001 0.000 1.155 1253 G CA -0.530 44.569 45.100 -0.001 0.000 0.760 1253 G HN 0.477 nan 8.290 nan 0.000 0.624 1254 G N -0.137 108.662 108.800 -0.001 0.000 2.437 1254 G HA2 0.791 4.751 3.960 0.000 0.000 0.315 1254 G HA3 0.791 4.751 3.960 0.000 0.000 0.315 1254 G C 0.913 175.813 174.900 -0.000 0.000 1.210 1254 G CA 0.949 46.049 45.100 -0.000 0.000 0.943 1254 G HN 2.448 nan 8.290 nan 0.000 0.471 1255 G N 1.129 109.929 108.800 0.000 0.000 2.415 1255 G HA2 -0.060 3.900 3.960 0.000 0.000 0.283 1255 G HA3 -0.060 3.900 3.960 0.000 0.000 0.283 1255 G C -0.039 174.861 174.900 -0.001 0.000 1.014 1255 G CA 0.582 45.682 45.100 0.000 0.000 1.323 1255 G HN 1.083 nan 8.290 nan 0.000 0.502 1256 R N 0.244 120.743 120.500 -0.001 0.000 3.737 1256 R HA 0.293 4.634 4.340 0.000 0.000 0.240 1256 R C -0.434 175.864 176.300 -0.003 0.000 1.044 1256 R CA -0.603 55.495 56.100 -0.002 0.000 1.164 1256 R CB 0.743 31.042 30.300 -0.003 0.000 1.244 1256 R HN 0.496 nan 8.270 nan 0.000 0.537 1257 Q N 2.867 122.665 119.800 -0.004 0.000 2.486 1257 Q HA 0.667 5.007 4.340 0.000 0.000 0.274 1257 Q C -0.772 175.224 176.000 -0.007 0.000 1.076 1257 Q CA -1.258 54.542 55.803 -0.004 0.000 0.872 1257 Q CB 2.603 31.339 28.738 -0.003 0.000 1.383 1257 Q HN 0.674 nan 8.270 nan 0.000 0.478 1258 R N -0.709 119.787 120.500 -0.008 0.000 2.663 1258 R HA 0.583 4.923 4.340 0.000 0.000 0.267 1258 R C -1.529 174.764 176.300 -0.012 0.000 1.038 1258 R CA -0.731 55.362 56.100 -0.011 0.000 0.886 1258 R CB 0.798 31.092 30.300 -0.010 0.000 1.249 1258 R HN 0.549 nan 8.270 nan 0.000 0.463 1259 I N 1.696 122.254 120.570 -0.019 0.000 2.377 1259 I HA 0.452 4.622 4.170 0.000 0.000 0.293 1259 I C -0.411 175.694 176.117 -0.019 0.000 0.987 1259 I CA -1.449 59.838 61.300 -0.021 0.000 1.185 1259 I CB 1.916 39.894 38.000 -0.038 0.000 1.341 1259 I HN 0.241 nan 8.210 nan 0.000 0.455 1260 V N 6.746 126.654 119.914 -0.011 0.000 2.417 1260 V HA 0.372 4.492 4.120 0.000 0.000 0.291 1260 V C -0.046 176.046 176.094 -0.003 0.000 1.024 1260 V CA -0.619 61.676 62.300 -0.007 0.000 0.861 1260 V CB 2.140 33.963 31.823 -0.001 0.000 0.985 1260 V HN 0.480 nan 8.190 nan 0.000 0.436 1261 V N 4.191 124.102 119.914 -0.006 0.000 2.357 1261 V HA 0.384 4.504 4.120 0.000 0.000 0.284 1261 V C 0.800 176.897 176.094 0.006 0.000 1.018 1261 V CA -0.184 62.117 62.300 0.003 0.000 0.841 1261 V CB 1.296 33.116 31.823 -0.005 0.000 0.991 1261 V HN 0.995 nan 8.190 nan 0.000 0.437 1262 T N 0.381 114.945 114.554 0.016 0.000 3.044 1262 T HA 0.343 4.693 4.350 0.000 0.000 0.260 1262 T C 0.247 174.959 174.700 0.020 0.000 1.019 1262 T CA -0.109 62.000 62.100 0.014 0.000 0.921 1262 T CB 0.203 69.081 68.868 0.017 0.000 1.053 1262 T HN 0.664 nan 8.240 nan 0.000 0.533 1263 E N 1.827 122.044 120.200 0.029 0.000 2.317 1263 E HA 0.441 4.791 4.350 0.000 0.000 0.270 1263 E C -0.567 176.059 176.600 0.043 0.000 0.899 1263 E CA -0.669 55.754 56.400 0.039 0.000 0.814 1263 E CB 2.170 31.903 29.700 0.056 0.000 1.296 1263 E HN 0.494 nan 8.360 nan 0.000 0.404 1264 I N -0.670 119.916 120.570 0.026 0.000 3.110 1264 I HA 0.621 4.791 4.170 0.000 0.000 0.314 1264 I C -2.429 173.713 176.117 0.042 0.000 1.020 1264 I CA -2.253 59.062 61.300 0.025 0.000 1.169 1264 I CB 0.455 38.451 38.000 -0.007 0.000 1.437 1264 I HN 0.168 nan 8.210 nan 0.000 0.595 1265 P HA 0.310 nan 4.420 nan 0.000 0.285 1265 P C -0.817 176.493 177.300 0.016 0.000 1.280 1265 P CA -0.599 62.528 63.100 0.045 0.000 0.862 1265 P CB 0.546 32.277 31.700 0.052 0.000 1.153 1266 F N 1.714 121.517 119.950 -0.246 0.000 2.594 1266 F HA -0.205 4.322 4.527 0.000 0.000 0.384 1266 F C 1.555 177.287 175.800 -0.113 0.000 1.060 1266 F CA 1.323 59.141 58.000 -0.303 0.000 1.278 1266 F CB -0.017 38.467 39.000 -0.860 0.000 0.977 1266 F HN 0.485 nan 8.300 nan 0.000 0.576 1267 Q N 1.194 120.799 119.800 -0.326 0.000 2.436 1267 Q HA -0.222 4.118 4.340 0.000 0.000 0.264 1267 Q C -0.983 175.017 176.000 0.000 0.000 1.093 1267 Q CA 0.551 56.294 55.803 -0.100 0.000 0.994 1267 Q CB -1.163 27.650 28.738 0.124 0.000 1.434 1267 Q HN 0.363 nan 8.270 nan 0.000 0.520 1268 V N 1.779 121.680 119.914 -0.021 0.000 2.328 1268 V HA 0.180 4.300 4.120 0.000 0.000 0.278 1268 V C 0.442 176.515 176.094 -0.034 0.000 1.021 1268 V CA -0.758 61.537 62.300 -0.008 0.000 0.838 1268 V CB 1.477 33.303 31.823 0.006 0.000 0.999 1268 V HN 0.256 nan 8.190 nan 0.000 0.447 1269 N N 4.363 123.046 118.700 -0.028 0.000 2.412 1269 N HA -0.010 4.731 4.740 0.000 0.000 0.258 1269 N C 0.902 176.383 175.510 -0.048 0.000 1.236 1269 N CA 0.530 53.554 53.050 -0.043 0.000 0.882 1269 N CB 0.950 39.420 38.487 -0.027 0.000 1.066 1269 N HN 0.715 nan 8.380 nan 0.000 0.465 1270 K N 3.198 123.556 120.400 -0.069 0.000 2.099 1270 K HA 0.096 4.416 4.320 0.000 0.000 0.203 1270 K C 1.477 178.047 176.600 -0.049 0.000 1.047 1270 K CA 0.760 57.009 56.287 -0.063 0.000 0.963 1270 K CB -0.095 32.354 32.500 -0.086 0.000 0.759 1270 K HN 0.581 nan 8.250 nan 0.000 0.451 1271 A N 0.618 123.407 122.820 -0.052 0.000 2.168 1271 A HA -0.004 4.316 4.320 0.000 0.000 0.215 1271 A C 1.735 179.301 177.584 -0.031 0.000 1.152 1271 A CA 0.868 52.881 52.037 -0.040 0.000 0.716 1271 A CB -0.127 18.848 19.000 -0.042 0.000 0.794 1271 A HN 0.147 nan 8.150 nan 0.000 0.465 1272 R N -1.467 119.015 120.500 -0.029 0.000 2.280 1272 R HA 0.313 4.653 4.340 0.000 0.000 0.195 1272 R C 1.810 178.099 176.300 -0.018 0.000 0.935 1272 R CA 0.455 56.543 56.100 -0.021 0.000 1.033 1272 R CB -0.388 29.902 30.300 -0.017 0.000 0.964 1272 R HN 0.643 nan 8.270 nan 0.000 0.489 1273 M N -0.531 119.056 119.600 -0.021 0.000 2.191 1273 M HA 0.007 4.487 4.480 0.000 0.000 0.262 1273 M C 1.654 177.942 176.300 -0.020 0.000 1.083 1273 M CA 1.509 56.799 55.300 -0.017 0.000 1.154 1273 M CB -0.008 32.582 32.600 -0.017 0.000 1.344 1273 M HN 0.086 nan 8.290 nan 0.000 0.431 1274 I N 0.771 121.327 120.570 -0.024 0.000 2.145 1274 I HA -0.366 3.805 4.170 0.000 0.000 0.244 1274 I C 2.329 178.433 176.117 -0.021 0.000 1.075 1274 I CA 1.433 62.718 61.300 -0.025 0.000 1.332 1274 I CB -0.500 37.484 38.000 -0.027 0.000 1.033 1274 I HN 0.368 nan 8.210 nan 0.000 0.410 1275 E N 0.586 120.774 120.200 -0.019 0.000 2.171 1275 E HA -0.292 4.058 4.350 0.000 0.000 0.197 1275 E C 2.032 178.623 176.600 -0.014 0.000 0.997 1275 E CA 1.328 57.718 56.400 -0.016 0.000 0.810 1275 E CB -0.153 29.538 29.700 -0.015 0.000 0.738 1275 E HN 0.453 nan 8.360 nan 0.000 0.467 1276 K N 0.164 120.556 120.400 -0.013 0.000 2.365 1276 K HA 0.053 4.373 4.320 0.000 0.000 0.197 1276 K C 1.984 178.575 176.600 -0.014 0.000 1.042 1276 K CA 0.235 56.515 56.287 -0.011 0.000 0.987 1276 K CB 0.147 32.643 32.500 -0.008 0.000 0.779 1276 K HN 0.047 nan 8.250 nan 0.000 0.484 1277 I N 0.299 120.858 120.570 -0.019 0.000 2.584 1277 I HA -0.055 4.116 4.170 0.000 0.000 0.255 1277 I C 1.998 178.102 176.117 -0.020 0.000 1.145 1277 I CA 0.757 62.043 61.300 -0.023 0.000 1.462 1277 I CB -0.074 37.907 38.000 -0.031 0.000 1.102 1277 I HN 0.119 nan 8.210 nan 0.000 0.433 1278 A N 0.165 122.974 122.820 -0.018 0.000 2.275 1278 A HA -0.044 4.277 4.320 0.000 0.000 0.212 1278 A C 2.087 179.663 177.584 -0.013 0.000 1.201 1278 A CA 0.319 52.346 52.037 -0.016 0.000 0.843 1278 A CB -0.413 18.578 19.000 -0.016 0.000 0.873 1278 A HN 0.456 nan 8.150 nan 0.000 0.492 1279 E N -0.337 119.856 120.200 -0.012 0.000 2.447 1279 E HA 0.104 4.454 4.350 0.000 0.000 0.195 1279 E C 1.167 177.762 176.600 -0.008 0.000 1.028 1279 E CA 0.178 56.573 56.400 -0.009 0.000 0.876 1279 E CB 0.026 29.721 29.700 -0.008 0.000 0.885 1279 E HN 0.611 nan 8.360 nan 0.000 0.500 1280 L N -0.265 120.952 121.223 -0.010 0.000 2.537 1280 L HA 0.087 4.427 4.340 0.000 0.000 0.224 1280 L C 2.136 178.999 176.870 -0.010 0.000 1.065 1280 L CA 0.021 54.856 54.840 -0.009 0.000 0.860 1280 L CB 0.321 42.374 42.059 -0.010 0.000 1.086 1280 L HN 0.015 nan 8.230 nan 0.000 0.482 1281 V N 0.474 120.380 119.914 -0.013 0.000 2.295 1281 V HA -0.264 3.856 4.120 0.000 0.000 0.246 1281 V C 2.593 178.681 176.094 -0.009 0.000 1.049 1281 V CA 1.933 64.225 62.300 -0.012 0.000 1.024 1281 V CB -0.621 31.194 31.823 -0.014 0.000 0.648 1281 V HN 0.447 nan 8.190 nan 0.000 0.447 1282 R N -0.056 120.439 120.500 -0.009 0.000 2.115 1282 R HA -0.166 4.175 4.340 0.000 0.000 0.226 1282 R C 1.830 178.127 176.300 -0.006 0.000 1.100 1282 R CA 1.694 57.790 56.100 -0.007 0.000 0.980 1282 R CB -0.249 30.047 30.300 -0.007 0.000 0.875 1282 R HN 0.473 nan 8.270 nan 0.000 0.445 1283 D N 0.392 120.788 120.400 -0.006 0.000 2.355 1283 D HA -0.021 4.620 4.640 0.000 0.000 0.218 1283 D C -0.460 175.838 176.300 -0.004 0.000 1.004 1283 D CA 0.491 54.489 54.000 -0.004 0.000 0.880 1283 D CB 0.234 41.031 40.800 -0.004 0.000 0.911 1283 D HN 0.102 nan 8.370 nan 0.000 0.528 1284 K N -0.546 119.851 120.400 -0.005 0.000 3.939 1284 K HA -0.237 4.084 4.320 0.000 0.000 0.281 1284 K C 0.366 176.963 176.600 -0.004 0.000 0.981 1284 K CA 0.274 56.558 56.287 -0.005 0.000 0.833 1284 K CB -1.140 31.358 32.500 -0.004 0.000 1.501 1284 K HN 0.067 nan 8.250 nan 0.000 0.445 1285 K N 0.556 120.953 120.400 -0.005 0.000 2.440 1285 K HA 0.387 4.707 4.320 0.000 0.000 0.207 1285 K C -0.000 176.597 176.600 -0.004 0.000 1.112 1285 K CA -0.011 56.274 56.287 -0.003 0.000 1.036 1285 K CB 0.842 33.340 32.500 -0.003 0.000 0.935 1285 K HN 0.475 nan 8.250 nan 0.000 0.564 1286 I N -0.017 120.549 120.570 -0.007 0.000 2.752 1286 I HA 0.242 4.412 4.170 0.000 0.000 0.295 1286 I C -1.798 174.313 176.117 -0.010 0.000 1.219 1286 I CA -0.853 60.441 61.300 -0.009 0.000 1.030 1286 I CB 1.809 39.800 38.000 -0.015 0.000 1.259 1286 I HN -0.090 nan 8.210 nan 0.000 0.423 1287 D N 5.171 125.566 120.400 -0.009 0.000 2.264 1287 D HA 0.432 5.072 4.640 0.000 0.000 0.250 1287 D C 0.446 176.739 176.300 -0.011 0.000 1.113 1287 D CA 1.032 55.027 54.000 -0.008 0.000 0.871 1287 D CB 1.566 42.362 40.800 -0.005 0.000 1.167 1287 D HN 0.913 nan 8.370 nan 0.000 0.447 1288 G N 3.588 112.382 108.800 -0.011 0.000 2.370 1288 G HA2 -0.186 3.775 3.960 0.000 0.000 0.268 1288 G HA3 -0.186 3.775 3.960 0.000 0.000 0.268 1288 G C -0.045 174.846 174.900 -0.015 0.000 1.122 1288 G CA -0.164 44.929 45.100 -0.011 0.000 0.963 1288 G HN 0.510 nan 8.290 nan 0.000 0.500 1289 I N 1.055 121.616 120.570 -0.015 0.000 2.476 1289 I HA 0.317 4.487 4.170 0.000 0.000 0.281 1289 I C 1.393 177.501 176.117 -0.015 0.000 1.040 1289 I CA -0.148 61.141 61.300 -0.018 0.000 1.094 1289 I CB 1.703 39.690 38.000 -0.022 0.000 1.219 1289 I HN 0.294 nan 8.210 nan 0.000 0.450 1290 T N 0.028 114.574 114.554 -0.014 0.000 3.039 1290 T HA 0.152 4.502 4.350 0.000 0.000 0.250 1290 T C 0.402 175.095 174.700 -0.012 0.000 1.052 1290 T CA 0.435 62.528 62.100 -0.011 0.000 1.125 1290 T CB 0.350 69.212 68.868 -0.010 0.000 0.908 1290 T HN 0.414 nan 8.240 nan 0.000 0.473 1291 D N -0.181 120.211 120.400 -0.013 0.000 2.661 1291 D HA 0.564 5.204 4.640 0.000 0.000 0.228 1291 D C -1.859 174.431 176.300 -0.016 0.000 1.210 1291 D CA -0.803 53.188 54.000 -0.014 0.000 0.826 1291 D CB 2.382 43.175 40.800 -0.012 0.000 1.542 1291 D HN 0.333 nan 8.370 nan 0.000 0.447 1292 L N 2.055 123.268 121.223 -0.017 0.000 2.491 1292 L HA 0.624 4.964 4.340 0.000 0.000 0.267 1292 L C -1.487 175.372 176.870 -0.018 0.000 0.971 1292 L CA -0.439 54.389 54.840 -0.019 0.000 0.857 1292 L CB 1.134 43.180 42.059 -0.022 0.000 1.226 1292 L HN 0.291 nan 8.230 nan 0.000 0.408 1293 R N 2.795 123.284 120.500 -0.019 0.000 2.670 1293 R HA 0.426 4.766 4.340 0.000 0.000 0.289 1293 R C -1.439 174.849 176.300 -0.020 0.000 0.965 1293 R CA -0.901 55.189 56.100 -0.017 0.000 0.899 1293 R CB 2.057 32.348 30.300 -0.015 0.000 1.173 1293 R HN 0.563 nan 8.270 nan 0.000 0.456 1294 D N 2.238 122.626 120.400 -0.020 0.000 2.392 1294 D HA 0.098 4.738 4.640 0.000 0.000 0.228 1294 D C -0.525 175.763 176.300 -0.020 0.000 1.074 1294 D CA -0.141 53.846 54.000 -0.023 0.000 0.838 1294 D CB 1.157 41.941 40.800 -0.027 0.000 1.067 1294 D HN 0.531 nan 8.370 nan 0.000 0.511 1295 E N 2.138 122.327 120.200 -0.019 0.000 2.815 1295 E HA 0.124 4.474 4.350 0.000 0.000 0.211 1295 E C -0.486 176.104 176.600 -0.016 0.000 1.004 1295 E CA -0.260 56.131 56.400 -0.015 0.000 1.173 1295 E CB 0.802 30.495 29.700 -0.012 0.000 1.163 1295 E HN 0.267 nan 8.360 nan 0.000 0.449 1296 T N 1.686 116.226 114.554 -0.023 0.000 2.775 1296 T HA 0.142 4.492 4.350 0.000 0.000 0.287 1296 T C 0.074 174.761 174.700 -0.022 0.000 0.909 1296 T CA -0.120 61.964 62.100 -0.026 0.000 1.081 1296 T CB 0.261 69.104 68.868 -0.041 0.000 0.891 1296 T HN 0.163 nan 8.240 nan 0.000 0.544 1297 S N 3.101 118.793 115.700 -0.014 0.000 2.634 1297 S HA 0.555 5.025 4.470 0.000 0.000 0.296 1297 S C 0.904 175.502 174.600 -0.003 0.000 1.104 1297 S CA -0.997 57.198 58.200 -0.009 0.000 0.920 1297 S CB 1.237 64.434 63.200 -0.005 0.000 1.111 1297 S HN 0.262 nan 8.310 nan 0.000 0.493 1298 L N 1.011 122.236 121.223 0.002 0.000 2.042 1298 L HA 0.126 4.466 4.340 0.000 0.000 0.210 1298 L C 2.551 179.428 176.870 0.011 0.000 1.076 1298 L CA 1.812 56.657 54.840 0.009 0.000 0.749 1298 L CB -0.772 41.296 42.059 0.015 0.000 0.893 1298 L HN 0.787 nan 8.230 nan 0.000 0.432 1299 R N -1.959 118.547 120.500 0.009 0.000 2.313 1299 R HA 0.011 4.352 4.340 0.000 0.000 0.199 1299 R C 1.733 178.037 176.300 0.008 0.000 0.958 1299 R CA 1.019 57.125 56.100 0.010 0.000 1.047 1299 R CB -0.135 30.170 30.300 0.009 0.000 0.955 1299 R HN 0.584 nan 8.270 nan 0.000 0.481 1300 T N -4.140 110.417 114.554 0.006 0.000 3.098 1300 T HA 0.428 4.778 4.350 0.000 0.000 0.246 1300 T C 0.936 175.639 174.700 0.005 0.000 0.983 1300 T CA 0.430 62.533 62.100 0.005 0.000 1.094 1300 T CB 0.855 69.724 68.868 0.002 0.000 1.035 1300 T HN 0.280 nan 8.240 nan 0.000 0.456 1301 G N 0.706 109.508 108.800 0.003 0.000 2.331 1301 G HA2 0.176 4.137 3.960 0.000 0.000 0.479 1301 G HA3 0.176 4.137 3.960 0.000 0.000 0.479 1301 G C -1.014 173.882 174.900 -0.006 0.000 1.262 1301 G CA -0.544 44.557 45.100 0.003 0.000 1.029 1301 G HN 0.845 nan 8.290 nan 0.000 0.487 1302 V N 0.232 120.142 119.914 -0.007 0.000 2.529 1302 V HA 0.583 4.703 4.120 0.000 0.000 0.292 1302 V C 0.743 176.831 176.094 -0.010 0.000 1.028 1302 V CA 1.007 63.297 62.300 -0.016 0.000 1.074 1302 V CB 1.003 32.816 31.823 -0.015 0.000 0.958 1302 V HN 1.017 nan 8.190 nan 0.000 0.481 1303 R N 3.765 124.256 120.500 -0.015 0.000 2.605 1303 R HA 0.588 4.928 4.340 0.000 0.000 0.291 1303 R C -1.841 174.449 176.300 -0.017 0.000 1.226 1303 R CA -0.370 55.723 56.100 -0.012 0.000 0.981 1303 R CB 1.707 32.002 30.300 -0.008 0.000 1.215 1303 R HN 0.557 nan 8.270 nan 0.000 0.428 1304 V N 3.416 123.320 119.914 -0.017 0.000 2.459 1304 V HA 0.665 4.785 4.120 0.000 0.000 0.295 1304 V C -0.362 175.721 176.094 -0.019 0.000 1.029 1304 V CA -0.924 61.364 62.300 -0.021 0.000 0.874 1304 V CB 1.661 33.470 31.823 -0.024 0.000 0.985 1304 V HN 0.457 nan 8.190 nan 0.000 0.438 1305 V N 5.577 125.479 119.914 -0.020 0.000 2.735 1305 V HA 0.633 4.754 4.120 0.000 0.000 0.310 1305 V C -0.584 175.497 176.094 -0.022 0.000 1.061 1305 V CA -0.467 61.822 62.300 -0.019 0.000 0.913 1305 V CB 2.065 33.879 31.823 -0.014 0.000 1.005 1305 V HN 0.832 nan 8.190 nan 0.000 0.428 1306 I N 1.123 121.679 120.570 -0.024 0.000 2.534 1306 I HA 0.609 4.779 4.170 0.000 0.000 0.288 1306 I C -1.425 174.679 176.117 -0.023 0.000 1.077 1306 I CA -0.778 60.506 61.300 -0.026 0.000 1.051 1306 I CB 2.127 40.106 38.000 -0.034 0.000 1.234 1306 I HN 0.356 nan 8.210 nan 0.000 0.425 1307 D N 4.819 125.208 120.400 -0.019 0.000 2.210 1307 D HA 0.531 5.171 4.640 0.000 0.000 0.249 1307 D C -0.153 176.138 176.300 -0.016 0.000 1.078 1307 D CA -0.107 53.883 54.000 -0.015 0.000 0.875 1307 D CB 2.479 43.272 40.800 -0.012 0.000 1.175 1307 D HN 0.258 nan 8.370 nan 0.000 0.440 1308 V N 2.101 122.007 119.914 -0.014 0.000 2.732 1308 V HA 0.373 4.493 4.120 0.000 0.000 0.310 1308 V C 0.762 176.851 176.094 -0.010 0.000 1.053 1308 V CA -0.962 61.330 62.300 -0.013 0.000 0.957 1308 V CB 1.741 33.556 31.823 -0.013 0.000 1.018 1308 V HN 0.422 nan 8.190 nan 0.000 0.452 1309 R N 1.709 122.204 120.500 -0.009 0.000 2.734 1309 R HA 0.129 4.469 4.340 0.000 0.000 0.266 1309 R C 0.315 176.612 176.300 -0.005 0.000 1.044 1309 R CA -0.298 55.798 56.100 -0.007 0.000 1.128 1309 R CB 0.347 30.643 30.300 -0.006 0.000 1.010 1309 R HN 0.646 nan 8.270 nan 0.000 0.461 1310 K N 2.136 122.534 120.400 -0.004 0.000 2.472 1310 K HA -0.167 4.154 4.320 0.000 0.000 0.280 1310 K C -0.332 176.267 176.600 -0.002 0.000 1.028 1310 K CA 0.746 57.032 56.287 -0.003 0.000 1.045 1310 K CB 0.281 32.780 32.500 -0.002 0.000 0.902 1310 K HN 0.646 nan 8.250 nan 0.000 0.478 1311 D N 0.487 120.886 120.400 -0.002 0.000 2.078 1311 D HA -0.174 4.467 4.640 0.000 0.000 0.169 1311 D C -0.500 175.799 176.300 -0.001 0.000 1.364 1311 D CA 1.560 55.559 54.000 -0.001 0.000 1.286 1311 D CB -0.980 39.820 40.800 -0.000 0.000 1.274 1311 D HN 0.680 nan 8.370 nan 0.000 0.522 1312 A N 1.277 124.096 122.820 -0.002 0.000 2.526 1312 A HA 0.231 4.551 4.320 0.000 0.000 0.267 1312 A C 0.462 178.045 177.584 -0.002 0.000 1.095 1312 A CA 0.376 52.412 52.037 -0.003 0.000 0.775 1312 A CB -0.180 18.817 19.000 -0.005 0.000 1.036 1312 A HN 0.273 nan 8.150 nan 0.000 0.510 1313 N N 2.623 121.324 118.700 0.000 0.000 2.414 1313 N HA 0.187 4.927 4.740 0.000 0.000 0.268 1313 N C 1.089 176.600 175.510 0.001 0.000 1.286 1313 N CA 0.794 53.845 53.050 0.002 0.000 0.896 1313 N CB 0.704 39.195 38.487 0.006 0.000 1.093 1313 N HN 0.612 nan 8.380 nan 0.000 0.480 1314 A N 2.820 125.639 122.820 -0.000 0.000 2.066 1314 A HA -0.063 4.257 4.320 0.000 0.000 0.218 1314 A C 2.177 179.761 177.584 0.001 0.000 1.157 1314 A CA 1.030 53.064 52.037 -0.005 0.000 0.670 1314 A CB -0.416 18.580 19.000 -0.007 0.000 0.804 1314 A HN 0.689 nan 8.150 nan 0.000 0.453 1315 S N -0.314 115.393 115.700 0.012 0.000 2.380 1315 S HA -0.178 4.292 4.470 0.000 0.000 0.229 1315 S C 1.853 176.471 174.600 0.029 0.000 1.043 1315 S CA 1.750 59.966 58.200 0.027 0.000 1.038 1315 S CB -0.389 62.828 63.200 0.028 0.000 0.872 1315 S HN 0.397 nan 8.310 nan 0.000 0.456 1316 V N 1.474 121.399 119.914 0.017 0.000 2.407 1316 V HA -0.037 4.083 4.120 0.000 0.000 0.245 1316 V C 1.980 178.075 176.094 0.001 0.000 1.041 1316 V CA 1.179 63.488 62.300 0.016 0.000 1.040 1316 V CB -0.553 31.278 31.823 0.012 0.000 0.671 1316 V HN 0.440 nan 8.190 nan 0.000 0.455 1317 I N -0.438 120.123 120.570 -0.015 0.000 2.361 1317 I HA -0.248 3.922 4.170 0.000 0.000 0.251 1317 I C 2.331 178.401 176.117 -0.078 0.000 1.133 1317 I CA 1.164 62.441 61.300 -0.038 0.000 1.413 1317 I CB -0.265 37.712 38.000 -0.038 0.000 1.073 1317 I HN 0.302 nan 8.210 nan 0.000 0.424 1318 L N 0.928 122.107 121.223 -0.074 0.000 1.961 1318 L HA -0.214 4.126 4.340 0.000 0.000 0.210 1318 L C 2.093 178.863 176.870 -0.167 0.000 1.072 1318 L CA 1.974 56.721 54.840 -0.155 0.000 0.749 1318 L CB -0.883 41.158 42.059 -0.031 0.000 0.889 1318 L HN 0.216 nan 8.230 nan 0.000 0.432 1319 N N -0.270 118.470 118.700 0.068 0.000 2.513 1319 N HA -0.165 4.576 4.740 0.000 0.000 0.187 1319 N C 1.105 176.692 175.510 0.128 0.000 1.056 1319 N CA 0.783 53.962 53.050 0.216 0.000 0.907 1319 N CB -0.116 38.468 38.487 0.161 0.000 0.954 1319 N HN 0.460 nan 8.380 nan 0.000 0.445 1320 N N 0.884 119.596 118.700 0.019 0.000 2.197 1320 N HA 0.056 4.796 4.740 0.000 0.000 0.184 1320 N C 1.883 177.377 175.510 -0.027 0.000 1.030 1320 N CA 0.341 53.394 53.050 0.006 0.000 0.851 1320 N CB -0.464 38.016 38.487 -0.012 0.000 1.003 1320 N HN 0.112 nan 8.380 nan 0.000 0.430 1321 L N 0.202 121.349 121.223 -0.127 0.000 2.089 1321 L HA -0.249 4.091 4.340 0.000 0.000 0.213 1321 L C 1.893 178.688 176.870 -0.125 0.000 1.079 1321 L CA 1.301 56.038 54.840 -0.172 0.000 0.758 1321 L CB -0.563 41.321 42.059 -0.292 0.000 0.891 1321 L HN 0.202 nan 8.230 nan 0.000 0.433 1322 Y N 0.108 120.413 120.300 0.008 0.000 2.089 1322 Y HA -0.250 4.300 4.550 0.000 0.000 0.282 1322 Y C 2.591 178.497 175.900 0.009 0.000 1.139 1322 Y CA 1.193 59.299 58.100 0.010 0.000 1.123 1322 Y CB -0.685 37.783 38.460 0.012 0.000 0.980 1322 Y HN 0.027 nan 8.280 nan 0.000 0.493 1323 K N -0.153 120.349 120.400 0.171 0.000 2.103 1323 K HA -0.229 4.091 4.320 0.000 0.000 0.207 1323 K C 1.943 178.579 176.600 0.060 0.000 1.048 1323 K CA 1.987 58.331 56.287 0.096 0.000 0.930 1323 K CB -0.195 32.348 32.500 0.071 0.000 0.716 1323 K HN 0.525 nan 8.250 nan 0.000 0.444 1324 Q N -0.287 119.538 119.800 0.042 0.000 2.387 1324 Q HA 0.002 4.342 4.340 0.000 0.000 0.208 1324 Q C 1.132 177.142 176.000 0.018 0.000 0.935 1324 Q CA 0.778 56.595 55.803 0.022 0.000 0.891 1324 Q CB 0.314 29.058 28.738 0.009 0.000 1.007 1324 Q HN 0.306 nan 8.270 nan 0.000 0.548 1325 T N -0.918 113.643 114.554 0.012 0.000 2.824 1325 T HA 0.185 4.535 4.350 0.000 0.000 0.277 1325 T C -2.157 172.559 174.700 0.028 0.000 0.975 1325 T CA -1.691 60.414 62.100 0.008 0.000 0.966 1325 T CB 0.845 69.706 68.868 -0.013 0.000 1.054 1325 T HN -0.199 nan 8.240 nan 0.000 0.533 1326 P HA 0.085 nan 4.420 nan 0.000 0.230 1326 P C 1.554 178.886 177.300 0.055 0.000 1.158 1326 P CA -0.004 63.117 63.100 0.034 0.000 0.769 1326 P CB -0.139 31.573 31.700 0.020 0.000 0.807 1327 L N -0.263 120.992 121.223 0.053 0.000 2.151 1327 L HA -0.182 4.158 4.340 0.000 0.000 0.215 1327 L C 1.110 178.084 176.870 0.174 0.000 1.084 1327 L CA 1.789 56.679 54.840 0.084 0.000 0.764 1327 L CB -0.758 41.318 42.059 0.028 0.000 0.891 1327 L HN 0.053 nan 8.230 nan 0.000 0.435 1328 Q N -0.407 119.507 119.800 0.190 0.000 2.357 1328 Q HA 0.353 4.694 4.340 0.000 0.000 0.266 1328 Q C -1.137 174.918 176.000 0.093 0.000 1.021 1328 Q CA -0.397 55.500 55.803 0.157 0.000 0.784 1328 Q CB 1.102 29.944 28.738 0.174 0.000 1.243 1328 Q HN 0.131 nan 8.270 nan 0.000 0.465 1329 T N 2.030 116.629 114.554 0.074 0.000 2.912 1329 T HA 0.537 4.887 4.350 0.000 0.000 0.288 1329 T C -0.635 174.102 174.700 0.061 0.000 1.030 1329 T CA -0.727 61.407 62.100 0.057 0.000 1.020 1329 T CB 1.601 70.500 68.868 0.052 0.000 1.056 1329 T HN 0.688 nan 8.240 nan 0.000 0.480 1330 S N 1.148 116.878 115.700 0.050 0.000 2.525 1330 S HA 0.693 5.164 4.470 0.000 0.000 0.290 1330 S C -0.880 173.767 174.600 0.080 0.000 1.152 1330 S CA -0.817 57.422 58.200 0.064 0.000 1.072 1330 S CB 0.613 63.835 63.200 0.037 0.000 1.027 1330 S HN 0.573 nan 8.310 nan 0.000 0.500 1331 F N 2.328 122.252 119.950 -0.043 0.000 2.385 1331 F HA 0.596 5.123 4.527 0.000 0.000 0.360 1331 F C 0.717 176.489 175.800 -0.046 0.000 1.122 1331 F CA -0.310 57.650 58.000 -0.067 0.000 1.090 1331 F CB 0.771 39.690 39.000 -0.134 0.000 1.150 1331 F HN 0.888 nan 8.300 nan 0.000 0.472 1332 G N 5.844 114.510 108.800 -0.224 0.000 2.356 1332 G HA2 0.432 4.392 3.960 0.000 0.000 0.300 1332 G HA3 0.432 4.392 3.960 0.000 0.000 0.300 1332 G C -1.024 173.838 174.900 -0.063 0.000 1.107 1332 G CA -0.446 44.588 45.100 -0.111 0.000 0.960 1332 G HN 0.523 nan 8.290 nan 0.000 0.418 1333 V N 3.508 123.468 119.914 0.078 0.000 2.408 1333 V HA 0.186 4.307 4.120 0.000 0.000 0.267 1333 V C 0.469 176.598 176.094 0.059 0.000 1.047 1333 V CA -0.312 62.063 62.300 0.124 0.000 0.937 1333 V CB 0.845 32.735 31.823 0.111 0.000 0.999 1333 V HN 0.824 nan 8.190 nan 0.000 0.472 1334 N N 5.257 123.992 118.700 0.059 0.000 2.762 1334 N HA 0.344 5.084 4.740 0.000 0.000 0.252 1334 N C -0.042 175.499 175.510 0.052 0.000 1.269 1334 N CA -0.469 52.604 53.050 0.038 0.000 0.799 1334 N CB 0.581 39.074 38.487 0.009 0.000 1.173 1334 N HN 0.615 nan 8.380 nan 0.000 0.516 1335 M N 3.555 123.192 119.600 0.061 0.000 3.709 1335 M HA 0.180 4.660 4.480 0.000 0.000 0.197 1335 M C -0.422 175.903 176.300 0.042 0.000 1.511 1335 M CA 0.452 55.790 55.300 0.064 0.000 1.688 1335 M CB -0.548 32.100 32.600 0.080 0.000 1.109 1335 M HN 0.359 nan 8.290 nan 0.000 0.561 1336 I N 1.455 122.044 120.570 0.032 0.000 2.330 1336 I HA 0.448 4.619 4.170 0.000 0.000 0.286 1336 I C 0.126 176.246 176.117 0.005 0.000 1.025 1336 I CA -0.406 60.903 61.300 0.016 0.000 1.197 1336 I CB 1.055 39.065 38.000 0.017 0.000 1.358 1336 I HN 0.431 nan 8.210 nan 0.000 0.467 1337 A N 7.124 129.938 122.820 -0.010 0.000 2.389 1337 A HA 0.799 5.119 4.320 0.000 0.000 0.293 1337 A C -0.816 176.735 177.584 -0.054 0.000 1.186 1337 A CA -0.694 51.326 52.037 -0.028 0.000 0.828 1337 A CB 1.273 20.254 19.000 -0.033 0.000 1.369 1337 A HN 0.597 nan 8.150 nan 0.000 0.446 1338 L N 1.124 122.307 121.223 -0.067 0.000 2.281 1338 L HA 0.458 4.798 4.340 0.000 0.000 0.285 1338 L C -1.066 175.720 176.870 -0.140 0.000 1.074 1338 L CA -0.428 54.356 54.840 -0.094 0.000 0.817 1338 L CB 1.057 43.073 42.059 -0.072 0.000 1.168 1338 L HN 0.369 nan 8.230 nan 0.000 0.434 1339 V N 3.871 123.676 119.914 -0.182 0.000 2.531 1339 V HA 0.288 4.408 4.120 0.000 0.000 0.301 1339 V C 0.516 176.464 176.094 -0.242 0.000 1.034 1339 V CA -0.385 61.755 62.300 -0.266 0.000 0.865 1339 V CB 1.458 33.081 31.823 -0.333 0.000 0.995 1339 V HN 0.954 nan 8.190 nan 0.000 0.424 1340 N N 3.470 122.037 118.700 -0.221 0.000 2.955 1340 N HA -0.209 4.531 4.740 0.000 0.000 0.230 1340 N C 0.925 176.356 175.510 -0.131 0.000 0.891 1340 N CA 2.554 55.512 53.050 -0.153 0.000 1.002 1340 N CB -1.106 37.296 38.487 -0.142 0.000 1.063 1340 N HN 1.633 nan 8.380 nan 0.000 0.601 1341 G N -1.944 106.768 108.800 -0.147 0.000 2.296 1341 G HA2 -0.166 3.794 3.960 0.000 0.000 0.188 1341 G HA3 -0.166 3.794 3.960 0.000 0.000 0.188 1341 G C -0.109 174.682 174.900 -0.182 0.000 1.000 1341 G CA 0.068 45.099 45.100 -0.115 0.000 0.672 1341 G HN 0.601 nan 8.290 nan 0.000 0.483 1342 R N 0.472 120.780 120.500 -0.321 0.000 2.832 1342 R HA 0.626 4.966 4.340 0.000 0.000 0.271 1342 R C -3.004 173.119 176.300 -0.294 0.000 0.996 1342 R CA -2.058 53.710 56.100 -0.554 0.000 0.977 1342 R CB 1.631 31.422 30.300 -0.848 0.000 1.168 1342 R HN 0.028 nan 8.270 nan 0.000 0.482 1343 P HA 0.222 nan 4.420 nan 0.000 0.274 1343 P C -1.249 175.996 177.300 -0.092 0.000 1.246 1343 P CA -0.460 62.581 63.100 -0.100 0.000 0.795 1343 P CB 0.701 32.387 31.700 -0.024 0.000 1.006 1344 K N 0.648 121.016 120.400 -0.053 0.000 2.583 1344 K HA 0.363 4.684 4.320 0.000 0.000 0.260 1344 K C -1.915 174.680 176.600 -0.008 0.000 0.931 1344 K CA -0.768 55.497 56.287 -0.035 0.000 0.849 1344 K CB 1.105 33.574 32.500 -0.051 0.000 1.347 1344 K HN 0.193 nan 8.250 nan 0.000 0.425 1345 L N 6.448 127.675 121.223 0.007 0.000 2.278 1345 L HA 0.534 4.874 4.340 0.000 0.000 0.287 1345 L C -0.766 176.121 176.870 0.028 0.000 1.072 1345 L CA -0.075 54.777 54.840 0.020 0.000 0.819 1345 L CB 0.263 42.336 42.059 0.023 0.000 1.176 1345 L HN 0.542 nan 8.230 nan 0.000 0.435 1346 I N 1.995 122.587 120.570 0.036 0.000 2.689 1346 I HA 0.651 4.821 4.170 0.000 0.000 0.299 1346 I C -0.428 175.725 176.117 0.059 0.000 1.059 1346 I CA -0.903 60.426 61.300 0.048 0.000 1.055 1346 I CB 2.084 40.118 38.000 0.056 0.000 1.243 1346 I HN 0.679 nan 8.210 nan 0.000 0.425 1347 N N 3.809 122.544 118.700 0.058 0.000 2.476 1347 N HA 0.292 5.032 4.740 0.000 0.000 0.287 1347 N C 0.571 176.110 175.510 0.049 0.000 1.262 1347 N CA -0.843 52.248 53.050 0.068 0.000 0.980 1347 N CB 0.605 39.127 38.487 0.058 0.000 1.163 1347 N HN 0.742 nan 8.380 nan 0.000 0.592 1348 L N -0.172 121.073 121.223 0.036 0.000 2.005 1348 L HA -0.022 4.318 4.340 0.000 0.000 0.207 1348 L C 2.212 179.029 176.870 -0.090 0.000 1.072 1348 L CA 1.813 56.609 54.840 -0.073 0.000 0.744 1348 L CB -0.968 40.926 42.059 -0.275 0.000 0.895 1348 L HN 0.817 nan 8.230 nan 0.000 0.433 1349 K N -0.650 119.703 120.400 -0.077 0.000 2.152 1349 K HA -0.221 4.099 4.320 0.000 0.000 0.206 1349 K C 1.933 178.500 176.600 -0.054 0.000 1.048 1349 K CA 1.730 57.975 56.287 -0.071 0.000 0.933 1349 K CB -0.107 32.357 32.500 -0.061 0.000 0.721 1349 K HN 0.500 nan 8.250 nan 0.000 0.447 1350 E N -0.259 119.924 120.200 -0.027 0.000 2.072 1350 E HA -0.126 4.225 4.350 0.000 0.000 0.190 1350 E C 1.880 178.507 176.600 0.044 0.000 0.982 1350 E CA 0.850 57.241 56.400 -0.015 0.000 0.803 1350 E CB -0.021 29.705 29.700 0.043 0.000 0.755 1350 E HN 0.448 nan 8.360 nan 0.000 0.453 1351 A N 0.798 123.650 122.820 0.054 0.000 2.015 1351 A HA -0.104 4.216 4.320 0.000 0.000 0.219 1351 A C 2.012 179.641 177.584 0.076 0.000 1.163 1351 A CA 0.901 52.984 52.037 0.077 0.000 0.646 1351 A CB -0.323 18.689 19.000 0.021 0.000 0.806 1351 A HN 0.147 nan 8.150 nan 0.000 0.448 1352 L N -1.246 119.990 121.223 0.022 0.000 2.529 1352 L HA 0.046 4.386 4.340 0.000 0.000 0.223 1352 L C 2.110 179.015 176.870 0.059 0.000 1.113 1352 L CA -0.007 54.867 54.840 0.057 0.000 0.861 1352 L CB -0.194 41.855 42.059 -0.016 0.000 1.012 1352 L HN 0.153 nan 8.230 nan 0.000 0.461 1353 V N -0.370 119.529 119.914 -0.025 0.000 2.283 1353 V HA -0.229 3.891 4.120 0.000 0.000 0.243 1353 V C 2.581 178.613 176.094 -0.103 0.000 1.039 1353 V CA 1.598 63.834 62.300 -0.107 0.000 1.016 1353 V CB -0.517 31.169 31.823 -0.228 0.000 0.650 1353 V HN 0.445 nan 8.190 nan 0.000 0.449 1354 H N -1.490 117.595 119.070 0.025 0.000 2.389 1354 H HA -0.172 4.385 4.556 0.000 0.000 0.299 1354 H C 2.136 177.489 175.328 0.042 0.000 1.081 1354 H CA 2.139 58.199 56.048 0.020 0.000 1.345 1354 H CB -0.363 29.405 29.762 0.010 0.000 1.393 1354 H HN 0.615 nan 8.280 nan 0.000 0.520 1355 Y N 1.193 121.544 120.300 0.085 0.000 2.114 1355 Y HA -0.207 4.343 4.550 0.000 0.000 0.284 1355 Y C 2.477 178.413 175.900 0.060 0.000 1.143 1355 Y CA 1.010 59.132 58.100 0.036 0.000 1.135 1355 Y CB -0.451 38.001 38.460 -0.014 0.000 0.980 1355 Y HN 0.047 nan 8.280 nan 0.000 0.499 1356 L N 1.242 122.440 121.223 -0.042 0.000 2.127 1356 L HA -0.184 4.156 4.340 0.000 0.000 0.211 1356 L C 2.084 178.863 176.870 -0.152 0.000 1.089 1356 L CA 2.215 56.973 54.840 -0.137 0.000 0.757 1356 L CB -1.209 40.847 42.059 -0.005 0.000 0.899 1356 L HN 0.412 nan 8.230 nan 0.000 0.434 1357 E N -1.492 118.661 120.200 -0.077 0.000 2.208 1357 E HA -0.245 4.105 4.350 0.000 0.000 0.193 1357 E C 2.194 178.761 176.600 -0.054 0.000 0.988 1357 E CA 1.311 57.681 56.400 -0.049 0.000 0.828 1357 E CB -0.189 29.514 29.700 0.005 0.000 0.763 1357 E HN 0.744 nan 8.360 nan 0.000 0.478 1358 H N -0.816 118.149 119.070 -0.175 0.000 2.470 1358 H HA 0.106 4.662 4.556 0.000 0.000 0.289 1358 H C 1.648 176.829 175.328 -0.244 0.000 1.033 1358 H CA 1.151 57.087 56.048 -0.187 0.000 1.331 1358 H CB 0.336 29.994 29.762 -0.173 0.000 1.414 1358 H HN 0.033 nan 8.280 nan 0.000 0.545 1359 Q N 0.674 120.288 119.800 -0.310 0.000 2.187 1359 Q HA -0.059 4.281 4.340 0.000 0.000 0.199 1359 Q C 1.991 177.862 176.000 -0.216 0.000 0.957 1359 Q CA 0.692 56.312 55.803 -0.306 0.000 0.857 1359 Q CB 0.066 28.579 28.738 -0.376 0.000 0.929 1359 Q HN 0.517 nan 8.270 nan 0.000 0.453 1360 K N 0.031 120.322 120.400 -0.181 0.000 2.074 1360 K HA -0.116 4.204 4.320 0.000 0.000 0.209 1360 K C 1.984 178.502 176.600 -0.137 0.000 1.048 1360 K CA 1.721 57.932 56.287 -0.127 0.000 0.926 1360 K CB 0.034 32.475 32.500 -0.099 0.000 0.713 1360 K HN 0.149 nan 8.250 nan 0.000 0.444 1361 T N 0.340 114.783 114.554 -0.184 0.000 2.978 1361 T HA -0.019 4.331 4.350 0.000 0.000 0.262 1361 T C 1.890 176.464 174.700 -0.211 0.000 1.063 1361 T CA 0.559 62.550 62.100 -0.183 0.000 1.140 1361 T CB 0.154 68.909 68.868 -0.188 0.000 0.886 1361 T HN -0.066 nan 8.240 nan 0.000 0.470 1362 V N 1.448 121.186 119.914 -0.294 0.000 2.667 1362 V HA -0.079 4.041 4.120 0.000 0.000 0.252 1362 V C 2.569 178.583 176.094 -0.134 0.000 1.065 1362 V CA 0.980 63.133 62.300 -0.246 0.000 1.083 1362 V CB -0.486 31.154 31.823 -0.305 0.000 0.692 1362 V HN 0.311 nan 8.190 nan 0.000 0.468 1363 V N 0.357 120.201 119.914 -0.116 0.000 2.307 1363 V HA -0.245 3.875 4.120 0.000 0.000 0.245 1363 V C 2.530 178.591 176.094 -0.056 0.000 1.045 1363 V CA 2.312 64.573 62.300 -0.065 0.000 1.024 1363 V CB -0.802 30.988 31.823 -0.055 0.000 0.651 1363 V HN 0.540 nan 8.190 nan 0.000 0.449 1364 R N 0.588 121.045 120.500 -0.072 0.000 2.115 1364 R HA -0.241 4.099 4.340 0.000 0.000 0.239 1364 R C 2.500 178.774 176.300 -0.043 0.000 1.133 1364 R CA 2.265 58.330 56.100 -0.058 0.000 0.935 1364 R CB -0.310 29.951 30.300 -0.066 0.000 0.853 1364 R HN 0.429 nan 8.270 nan 0.000 0.433 1365 R N -0.299 120.169 120.500 -0.053 0.000 2.096 1365 R HA -0.086 4.255 4.340 0.000 0.000 0.235 1365 R C 2.635 178.944 176.300 0.016 0.000 1.127 1365 R CA 1.535 57.617 56.100 -0.029 0.000 0.968 1365 R CB -0.422 29.843 30.300 -0.059 0.000 0.861 1365 R HN 0.289 nan 8.270 nan 0.000 0.440 1366 R N 0.632 121.138 120.500 0.009 0.000 2.083 1366 R HA -0.136 4.205 4.340 0.000 0.000 0.237 1366 R C 1.833 178.185 176.300 0.086 0.000 1.137 1366 R CA 2.190 58.330 56.100 0.067 0.000 0.951 1366 R CB -0.349 29.976 30.300 0.042 0.000 0.851 1366 R HN 0.234 nan 8.270 nan 0.000 0.434 1367 T N 0.889 115.458 114.554 0.025 0.000 2.665 1367 T HA -0.227 4.123 4.350 0.000 0.000 0.268 1367 T C 1.822 176.518 174.700 -0.008 0.000 1.035 1367 T CA 1.745 63.838 62.100 -0.012 0.000 1.151 1367 T CB -0.300 68.542 68.868 -0.044 0.000 0.862 1367 T HN 0.439 nan 8.240 nan 0.000 0.438 1368 Q N -0.608 119.201 119.800 0.016 0.000 2.224 1368 Q HA -0.056 4.285 4.340 0.000 0.000 0.203 1368 Q C 1.998 178.046 176.000 0.079 0.000 0.970 1368 Q CA 0.984 56.801 55.803 0.023 0.000 0.865 1368 Q CB -0.261 28.489 28.738 0.020 0.000 0.922 1368 Q HN 0.627 nan 8.270 nan 0.000 0.445 1369 Y N 1.498 121.790 120.300 -0.014 0.000 2.263 1369 Y HA -0.140 4.410 4.550 0.000 0.000 0.292 1369 Y C 1.664 177.573 175.900 0.015 0.000 1.130 1369 Y CA 1.013 59.115 58.100 0.005 0.000 1.179 1369 Y CB -0.034 38.436 38.460 0.016 0.000 0.998 1369 Y HN 0.104 nan 8.280 nan 0.000 0.532 1370 N N 0.461 119.145 118.700 -0.027 0.000 2.022 1370 N HA -0.208 4.532 4.740 0.000 0.000 0.194 1370 N C 1.927 177.373 175.510 -0.107 0.000 1.057 1370 N CA 1.602 54.605 53.050 -0.078 0.000 0.849 1370 N CB -0.963 37.531 38.487 0.011 0.000 1.044 1370 N HN 0.376 nan 8.380 nan 0.000 0.424 1371 L N 1.698 122.856 121.223 -0.109 0.000 2.270 1371 L HA -0.157 4.183 4.340 0.000 0.000 0.217 1371 L C 2.445 179.265 176.870 -0.083 0.000 1.107 1371 L CA 1.379 56.153 54.840 -0.110 0.000 0.772 1371 L CB -0.140 41.856 42.059 -0.105 0.000 0.902 1371 L HN 0.148 nan 8.230 nan 0.000 0.439 1372 R N -1.130 119.317 120.500 -0.089 0.000 2.066 1372 R HA -0.041 4.299 4.340 0.000 0.000 0.224 1372 R C 1.665 177.899 176.300 -0.110 0.000 1.122 1372 R CA 0.627 56.680 56.100 -0.079 0.000 0.974 1372 R CB 0.100 30.376 30.300 -0.040 0.000 0.871 1372 R HN 0.126 nan 8.270 nan 0.000 0.435 1373 K N 0.038 120.318 120.400 -0.201 0.000 2.525 1373 K HA 0.083 4.403 4.320 0.000 0.000 0.192 1373 K C 1.238 177.778 176.600 -0.099 0.000 1.029 1373 K CA 0.616 56.791 56.287 -0.185 0.000 1.029 1373 K CB 0.597 32.898 32.500 -0.332 0.000 0.814 1373 K HN 0.190 nan 8.250 nan 0.000 0.503 1374 A N 0.632 123.409 122.820 -0.072 0.000 2.115 1374 A HA 0.039 4.360 4.320 0.000 0.000 0.211 1374 A C 1.875 179.447 177.584 -0.021 0.000 1.169 1374 A CA 0.476 52.504 52.037 -0.015 0.000 0.787 1374 A CB 0.139 19.154 19.000 0.026 0.000 0.858 1374 A HN 0.138 nan 8.150 nan 0.000 0.474 1375 K N 0.009 120.391 120.400 -0.030 0.000 2.067 1375 K HA -0.034 4.286 4.320 0.000 0.000 0.203 1375 K C 1.160 177.774 176.600 0.024 0.000 1.048 1375 K CA 1.058 57.340 56.287 -0.008 0.000 0.954 1375 K CB -0.130 32.359 32.500 -0.019 0.000 0.737 1375 K HN 0.236 nan 8.250 nan 0.000 0.444 1376 D N 0.987 121.383 120.400 -0.006 0.000 2.103 1376 D HA -0.208 4.433 4.640 0.000 0.000 0.190 1376 D C 1.946 178.282 176.300 0.061 0.000 0.997 1376 D CA 1.426 55.429 54.000 0.006 0.000 0.833 1376 D CB -0.134 40.650 40.800 -0.027 0.000 0.961 1376 D HN 0.017 nan 8.370 nan 0.000 0.447 1377 R N 1.028 121.547 120.500 0.032 0.000 2.075 1377 R HA 0.010 4.351 4.340 0.000 0.000 0.232 1377 R C 1.956 178.302 176.300 0.076 0.000 1.126 1377 R CA 1.767 57.894 56.100 0.044 0.000 0.963 1377 R CB -0.745 29.564 30.300 0.014 0.000 0.858 1377 R HN 0.089 nan 8.270 nan 0.000 0.435 1378 A N -0.697 122.155 122.820 0.053 0.000 2.024 1378 A HA -0.204 4.116 4.320 0.000 0.000 0.220 1378 A C 2.008 179.692 177.584 0.167 0.000 1.164 1378 A CA 1.861 53.925 52.037 0.046 0.000 0.643 1378 A CB -0.833 18.130 19.000 -0.061 0.000 0.806 1378 A HN 0.667 nan 8.150 nan 0.000 0.451 1379 H N -0.655 118.452 119.070 0.061 0.000 2.436 1379 H HA 0.094 4.651 4.556 0.001 0.000 0.294 1379 H C 1.677 177.049 175.328 0.073 0.000 1.048 1379 H CA 1.420 57.509 56.048 0.069 0.000 1.353 1379 H CB 0.048 29.831 29.762 0.036 0.000 1.414 1379 H HN 0.366 nan 8.280 nan 0.000 0.536 1380 I N -0.153 120.509 120.570 0.153 0.000 2.617 1380 I HA -0.144 4.026 4.170 0.000 0.000 0.256 1380 I C 1.673 177.827 176.117 0.061 0.000 1.167 1380 I CA 0.604 61.955 61.300 0.086 0.000 1.469 1380 I CB -0.444 37.606 38.000 0.083 0.000 1.098 1380 I HN 0.285 nan 8.210 nan 0.000 0.436 1381 L N 0.832 122.127 121.223 0.119 0.000 2.056 1381 L HA -0.147 4.193 4.340 0.000 0.000 0.207 1381 L C 2.459 179.357 176.870 0.047 0.000 1.078 1381 L CA 1.476 56.402 54.840 0.144 0.000 0.749 1381 L CB -0.548 41.732 42.059 0.367 0.000 0.901 1381 L HN 0.197 nan 8.230 nan 0.000 0.433 1382 E N -0.518 119.729 120.200 0.077 0.000 2.160 1382 E HA -0.202 4.148 4.350 0.000 0.000 0.195 1382 E C 2.191 178.745 176.600 -0.077 0.000 0.991 1382 E CA 1.058 57.427 56.400 -0.052 0.000 0.810 1382 E CB -0.436 29.241 29.700 -0.038 0.000 0.742 1382 E HN 0.602 nan 8.360 nan 0.000 0.466 1383 G N 0.786 109.543 108.800 -0.071 0.000 2.471 1383 G HA2 -0.152 3.808 3.960 0.000 0.000 0.219 1383 G HA3 -0.152 3.808 3.960 0.000 0.000 0.219 1383 G C 1.501 176.377 174.900 -0.040 0.000 1.125 1383 G CA 0.311 45.375 45.100 -0.060 0.000 0.775 1383 G HN 0.069 nan 8.290 nan 0.000 0.548 1384 L N -0.796 120.407 121.223 -0.034 0.000 2.189 1384 L HA 0.151 4.492 4.340 0.000 0.000 0.199 1384 L C 3.032 179.878 176.870 -0.041 0.000 1.074 1384 L CA 0.182 55.003 54.840 -0.032 0.000 0.783 1384 L CB -0.391 41.657 42.059 -0.019 0.000 0.955 1384 L HN 0.047 nan 8.230 nan 0.000 0.460 1385 R N 0.525 120.979 120.500 -0.076 0.000 2.159 1385 R HA -0.255 4.085 4.340 0.000 0.000 0.249 1385 R C 2.200 178.471 176.300 -0.048 0.000 1.136 1385 R CA 1.871 57.910 56.100 -0.102 0.000 0.951 1385 R CB -0.797 29.381 30.300 -0.203 0.000 0.876 1385 R HN 0.320 nan 8.270 nan 0.000 0.440 1386 I N 0.527 121.090 120.570 -0.013 0.000 2.099 1386 I HA -0.278 3.892 4.170 0.000 0.000 0.239 1386 I C 2.330 178.537 176.117 0.150 0.000 1.066 1386 I CA 1.612 62.969 61.300 0.095 0.000 1.324 1386 I CB -0.456 37.613 38.000 0.116 0.000 1.037 1386 I HN 0.278 nan 8.210 nan 0.000 0.401 1387 A N -0.150 122.705 122.820 0.058 0.000 2.239 1387 A HA 0.017 4.337 4.320 0.000 0.000 0.209 1387 A C 2.060 179.657 177.584 0.021 0.000 1.171 1387 A CA 0.689 52.737 52.037 0.020 0.000 0.768 1387 A CB -0.379 18.573 19.000 -0.080 0.000 0.790 1387 A HN 0.440 nan 8.150 nan 0.000 0.478 1388 L N -1.420 119.812 121.223 0.014 0.000 2.463 1388 L HA 0.035 4.375 4.340 0.000 0.000 0.219 1388 L C 1.308 178.173 176.870 -0.008 0.000 1.088 1388 L CA 0.541 55.379 54.840 -0.003 0.000 0.849 1388 L CB -0.192 41.855 42.059 -0.020 0.000 1.012 1388 L HN 0.349 nan 8.230 nan 0.000 0.468 1389 D N -0.789 119.596 120.400 -0.025 0.000 2.162 1389 D HA -0.110 4.530 4.640 0.000 0.000 0.205 1389 D C 1.890 178.125 176.300 -0.109 0.000 0.964 1389 D CA 0.971 54.913 54.000 -0.097 0.000 0.847 1389 D CB 0.136 40.833 40.800 -0.171 0.000 0.988 1389 D HN 0.360 nan 8.370 nan 0.000 0.480 1390 H N 0.606 119.720 119.070 0.073 0.000 2.436 1390 H HA -0.040 4.516 4.556 0.000 0.000 0.294 1390 H C 2.112 177.493 175.328 0.089 0.000 1.048 1390 H CA 0.215 56.345 56.048 0.137 0.000 1.353 1390 H CB 0.111 30.081 29.762 0.348 0.000 1.414 1390 H HN 0.064 nan 8.280 nan 0.000 0.536 1391 I N 1.626 122.282 120.570 0.143 0.000 4.475 1391 I HA -0.501 3.669 4.170 0.000 0.000 0.089 1391 I C 1.690 177.840 176.117 0.054 0.000 0.638 1391 I CA 2.363 63.698 61.300 0.057 0.000 0.756 1391 I CB -0.795 37.219 38.000 0.024 0.000 0.671 1391 I HN 0.147 nan 8.210 nan 0.000 0.195 1392 D N -0.347 120.091 120.400 0.063 0.000 2.219 1392 D HA -0.171 4.469 4.640 0.000 0.000 0.205 1392 D C 2.128 178.471 176.300 0.072 0.000 0.970 1392 D CA 1.486 55.517 54.000 0.051 0.000 0.851 1392 D CB -0.140 40.685 40.800 0.042 0.000 0.943 1392 D HN 0.753 nan 8.370 nan 0.000 0.488 1393 E N 0.084 120.361 120.200 0.129 0.000 2.158 1393 E HA -0.088 4.262 4.350 0.000 0.000 0.191 1393 E C 2.108 178.796 176.600 0.148 0.000 0.982 1393 E CA 0.251 56.752 56.400 0.169 0.000 0.823 1393 E CB 0.165 30.023 29.700 0.263 0.000 0.766 1393 E HN 0.095 nan 8.360 nan 0.000 0.468 1394 I N 0.933 121.541 120.570 0.064 0.000 2.194 1394 I HA -0.284 3.886 4.170 0.000 0.000 0.246 1394 I C 2.193 178.265 176.117 -0.075 0.000 1.093 1394 I CA 1.131 62.344 61.300 -0.146 0.000 1.355 1394 I CB -0.893 36.985 38.000 -0.202 0.000 1.046 1394 I HN 0.233 nan 8.210 nan 0.000 0.413 1395 I N 0.787 121.343 120.570 -0.023 0.000 2.202 1395 I HA -0.203 3.967 4.170 0.000 0.000 0.242 1395 I C 2.748 178.865 176.117 0.000 0.000 1.091 1395 I CA 1.242 62.533 61.300 -0.016 0.000 1.368 1395 I CB -0.632 37.365 38.000 -0.005 0.000 1.058 1395 I HN 0.048 nan 8.210 nan 0.000 0.410 1396 S N -0.116 115.597 115.700 0.022 0.000 2.387 1396 S HA -0.227 4.243 4.470 0.000 0.000 0.230 1396 S C 2.075 176.692 174.600 0.029 0.000 1.035 1396 S CA 2.056 60.273 58.200 0.029 0.000 1.014 1396 S CB -0.476 62.752 63.200 0.046 0.000 0.836 1396 S HN 0.539 nan 8.310 nan 0.000 0.466 1397 T N 1.618 116.192 114.554 0.034 0.000 2.821 1397 T HA 0.044 4.395 4.350 0.000 0.000 0.267 1397 T C 1.605 176.307 174.700 0.003 0.000 1.046 1397 T CA 1.047 63.167 62.100 0.034 0.000 1.139 1397 T CB -0.251 68.648 68.868 0.051 0.000 0.871 1397 T HN 0.337 nan 8.240 nan 0.000 0.454 1398 I N 0.652 121.213 120.570 -0.016 0.000 2.716 1398 I HA 0.029 4.199 4.170 0.000 0.000 0.259 1398 I C 2.446 178.557 176.117 -0.009 0.000 1.172 1398 I CA 0.737 62.025 61.300 -0.020 0.000 1.478 1398 I CB -0.264 37.716 38.000 -0.033 0.000 1.104 1398 I HN 0.029 nan 8.210 nan 0.000 0.439 1399 R N 0.938 121.437 120.500 -0.003 0.000 2.189 1399 R HA -0.129 4.211 4.340 0.000 0.000 0.218 1399 R C 1.899 178.200 176.300 0.003 0.000 1.074 1399 R CA 1.366 57.466 56.100 -0.000 0.000 0.991 1399 R CB -0.337 29.964 30.300 0.002 0.000 0.883 1399 R HN 0.586 nan 8.270 nan 0.000 0.457 1400 E N 0.734 120.938 120.200 0.006 0.000 2.307 1400 E HA 0.058 4.408 4.350 0.000 0.000 0.195 1400 E C -0.016 176.588 176.600 0.007 0.000 0.975 1400 E CA 0.004 56.409 56.400 0.008 0.000 0.878 1400 E CB 0.252 29.961 29.700 0.014 0.000 0.845 1400 E HN -0.089 nan 8.360 nan 0.000 0.488 1401 S N 0.981 116.685 115.700 0.006 0.000 2.579 1401 S HA 0.012 4.482 4.470 0.000 0.000 0.275 1401 S C 0.129 174.729 174.600 0.000 0.000 1.345 1401 S CA -0.166 58.036 58.200 0.003 0.000 1.031 1401 S CB 1.225 64.426 63.200 0.001 0.000 0.892 1401 S HN 0.261 nan 8.310 nan 0.000 0.529 1402 D N 0.167 120.567 120.400 -0.000 0.000 2.469 1402 D HA 0.073 4.713 4.640 0.000 0.000 0.240 1402 D C 0.643 176.942 176.300 -0.002 0.000 1.087 1402 D CA 0.560 54.559 54.000 -0.001 0.000 0.876 1402 D CB 0.592 41.392 40.800 0.000 0.000 1.160 1402 D HN 0.657 nan 8.370 nan 0.000 0.497 1403 T N -1.278 113.275 114.554 -0.002 0.000 2.895 1403 T HA 0.314 4.665 4.350 0.000 0.000 0.283 1403 T C 0.536 175.233 174.700 -0.005 0.000 1.014 1403 T CA -0.594 61.504 62.100 -0.003 0.000 1.037 1403 T CB 1.915 70.782 68.868 -0.002 0.000 1.006 1403 T HN -0.333 nan 8.240 nan 0.000 0.468 1404 D N 0.668 121.064 120.400 -0.006 0.000 2.265 1404 D HA -0.052 4.588 4.640 0.000 0.000 0.208 1404 D C 1.828 178.124 176.300 -0.008 0.000 0.977 1404 D CA 1.039 55.033 54.000 -0.009 0.000 0.871 1404 D CB 0.054 40.849 40.800 -0.009 0.000 0.925 1404 D HN 0.713 nan 8.370 nan 0.000 0.485 1405 K N 0.335 120.732 120.400 -0.005 0.000 2.062 1405 K HA -0.060 4.261 4.320 0.000 0.000 0.205 1405 K C 1.917 178.516 176.600 -0.001 0.000 1.051 1405 K CA 0.604 56.889 56.287 -0.003 0.000 0.941 1405 K CB -0.113 32.386 32.500 -0.002 0.000 0.719 1405 K HN 0.016 nan 8.250 nan 0.000 0.440 1406 V N 0.892 120.806 119.914 -0.001 0.000 2.548 1406 V HA -0.104 4.016 4.120 0.000 0.000 0.249 1406 V C 2.114 178.210 176.094 0.002 0.000 1.055 1406 V CA 1.792 64.094 62.300 0.002 0.000 1.065 1406 V CB -0.146 31.679 31.823 0.003 0.000 0.681 1406 V HN 0.461 nan 8.190 nan 0.000 0.462 1407 A N -0.350 122.468 122.820 -0.003 0.000 1.902 1407 A HA -0.210 4.110 4.320 0.000 0.000 0.217 1407 A C 2.241 179.817 177.584 -0.014 0.000 1.181 1407 A CA 2.133 54.164 52.037 -0.009 0.000 0.623 1407 A CB -0.540 18.450 19.000 -0.017 0.000 0.818 1407 A HN 0.462 nan 8.150 nan 0.000 0.443 1408 M N -0.141 119.452 119.600 -0.012 0.000 2.180 1408 M HA -0.202 4.278 4.480 0.000 0.000 0.260 1408 M C 2.056 178.356 176.300 -0.000 0.000 1.071 1408 M CA 2.091 57.385 55.300 -0.011 0.000 1.096 1408 M CB -1.523 31.073 32.600 -0.005 0.000 1.276 1408 M HN 0.551 nan 8.290 nan 0.000 0.426 1409 E N -0.757 119.447 120.200 0.007 0.000 2.153 1409 E HA -0.120 4.230 4.350 0.000 0.000 0.194 1409 E C 2.048 178.664 176.600 0.027 0.000 0.988 1409 E CA 1.260 57.669 56.400 0.016 0.000 0.811 1409 E CB -0.152 29.556 29.700 0.013 0.000 0.746 1409 E HN 0.433 nan 8.360 nan 0.000 0.466 1410 S N 1.045 116.760 115.700 0.026 0.000 2.383 1410 S HA -0.135 4.335 4.470 0.000 0.000 0.229 1410 S C 1.972 176.621 174.600 0.082 0.000 1.030 1410 S CA 0.864 59.091 58.200 0.045 0.000 1.002 1410 S CB -0.090 63.132 63.200 0.036 0.000 0.829 1410 S HN 0.099 nan 8.310 nan 0.000 0.467 1411 L N 1.366 122.616 121.223 0.044 0.000 2.023 1411 L HA -0.064 4.276 4.340 0.000 0.000 0.205 1411 L C 2.640 179.573 176.870 0.104 0.000 1.073 1411 L CA 1.416 56.277 54.840 0.034 0.000 0.745 1411 L CB -0.597 41.395 42.059 -0.111 0.000 0.900 1411 L HN 0.249 nan 8.230 nan 0.000 0.435 1412 Q N -0.846 118.986 119.800 0.054 0.000 2.133 1412 Q HA -0.327 4.013 4.340 0.000 0.000 0.208 1412 Q C 2.302 178.348 176.000 0.078 0.000 0.991 1412 Q CA 2.076 57.915 55.803 0.059 0.000 0.867 1412 Q CB -0.185 28.576 28.738 0.038 0.000 0.911 1412 Q HN 0.544 nan 8.270 nan 0.000 0.417 1413 Q N -0.086 119.756 119.800 0.071 0.000 2.096 1413 Q HA -0.065 4.275 4.340 0.000 0.000 0.197 1413 Q C 2.054 178.078 176.000 0.040 0.000 0.964 1413 Q CA 0.602 56.432 55.803 0.046 0.000 0.838 1413 Q CB 0.139 28.895 28.738 0.031 0.000 0.906 1413 Q HN 0.158 nan 8.270 nan 0.000 0.444 1414 R N -1.005 119.551 120.500 0.093 0.000 2.115 1414 R HA -0.081 4.259 4.340 0.000 0.000 0.230 1414 R C 0.547 176.731 176.300 -0.193 0.000 1.111 1414 R CA 1.101 57.205 56.100 0.007 0.000 0.976 1414 R CB 0.237 30.638 30.300 0.168 0.000 0.870 1414 R HN 0.186 nan 8.270 nan 0.000 0.445 1415 F N -0.339 119.550 119.950 -0.101 0.000 2.729 1415 F HA 0.306 4.833 4.527 0.000 0.000 0.315 1415 F C -0.132 175.614 175.800 -0.090 0.000 1.102 1415 F CA -0.432 57.482 58.000 -0.143 0.000 1.204 1415 F CB 0.719 39.618 39.000 -0.168 0.000 1.052 1415 F HN -0.210 nan 8.300 nan 0.000 0.551 1416 K N 1.136 121.583 120.400 0.080 0.000 3.162 1416 K HA -0.178 4.142 4.320 0.000 0.000 0.268 1416 K C -1.078 175.556 176.600 0.057 0.000 1.062 1416 K CA 0.298 56.613 56.287 0.048 0.000 0.769 1416 K CB -2.056 30.456 32.500 0.020 0.000 1.274 1416 K HN 0.244 nan 8.250 nan 0.000 0.478 1417 L N 0.524 121.786 121.223 0.066 0.000 2.346 1417 L HA 0.414 4.754 4.340 0.000 0.000 0.276 1417 L C 0.900 177.800 176.870 0.050 0.000 1.006 1417 L CA -0.943 53.922 54.840 0.042 0.000 0.817 1417 L CB 1.869 43.945 42.059 0.028 0.000 1.272 1417 L HN 0.251 nan 8.230 nan 0.000 0.421 1418 S N 0.147 115.889 115.700 0.069 0.000 2.593 1418 S HA 0.050 4.520 4.470 0.000 0.000 0.269 1418 S C 0.978 175.631 174.600 0.089 0.000 1.334 1418 S CA -0.208 58.059 58.200 0.112 0.000 1.015 1418 S CB 1.185 64.534 63.200 0.249 0.000 0.912 1418 S HN 0.821 nan 8.310 nan 0.000 0.541 1419 E N 1.558 121.800 120.200 0.069 0.000 2.171 1419 E HA -0.220 4.130 4.350 0.000 0.000 0.197 1419 E C 1.637 178.268 176.600 0.050 0.000 0.997 1419 E CA 1.474 57.901 56.400 0.045 0.000 0.810 1419 E CB -0.101 29.617 29.700 0.029 0.000 0.738 1419 E HN 0.709 nan 8.360 nan 0.000 0.467 1420 K N 0.104 120.554 120.400 0.083 0.000 1.984 1420 K HA -0.183 4.137 4.320 0.000 0.000 0.209 1420 K C 2.369 179.021 176.600 0.086 0.000 1.046 1420 K CA 1.791 58.134 56.287 0.092 0.000 0.934 1420 K CB -0.258 32.324 32.500 0.136 0.000 0.717 1420 K HN 0.241 nan 8.250 nan 0.000 0.438 1421 Q N 0.492 120.352 119.800 0.101 0.000 2.181 1421 Q HA -0.124 4.216 4.340 0.000 0.000 0.205 1421 Q C 2.104 178.105 176.000 0.002 0.000 0.980 1421 Q CA 1.490 57.313 55.803 0.034 0.000 0.862 1421 Q CB -0.269 28.455 28.738 -0.023 0.000 0.905 1421 Q HN 0.356 nan 8.270 nan 0.000 0.429 1422 A N 0.669 123.492 122.820 0.004 0.000 1.902 1422 A HA -0.231 4.089 4.320 0.000 0.000 0.217 1422 A C 2.083 179.655 177.584 -0.021 0.000 1.181 1422 A CA 1.185 53.210 52.037 -0.020 0.000 0.623 1422 A CB -0.323 18.672 19.000 -0.008 0.000 0.818 1422 A HN 0.211 nan 8.150 nan 0.000 0.443 1423 Q N -0.505 119.294 119.800 -0.002 0.000 1.967 1423 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 1423 Q C 2.486 178.481 176.000 -0.009 0.000 0.985 1423 Q CA 1.844 57.645 55.803 -0.004 0.000 0.839 1423 Q CB -0.924 27.817 28.738 0.005 0.000 0.906 1423 Q HN 0.608 nan 8.270 nan 0.000 0.423 1424 A N 0.328 123.148 122.820 0.000 0.000 2.084 1424 A HA -0.188 4.133 4.320 0.000 0.000 0.221 1424 A C 2.060 179.634 177.584 -0.017 0.000 1.161 1424 A CA 1.195 53.231 52.037 -0.002 0.000 0.653 1424 A CB -0.538 18.469 19.000 0.011 0.000 0.802 1424 A HN 0.312 nan 8.150 nan 0.000 0.457 1425 I N -0.378 120.173 120.570 -0.031 0.000 2.353 1425 I HA -0.140 4.030 4.170 0.000 0.000 0.248 1425 I C 2.297 178.383 176.117 -0.052 0.000 1.119 1425 I CA 0.905 62.173 61.300 -0.052 0.000 1.417 1425 I CB -0.162 37.785 38.000 -0.088 0.000 1.078 1425 I HN 0.294 nan 8.210 nan 0.000 0.421 1426 L N -0.219 120.977 121.223 -0.045 0.000 2.027 1426 L HA -0.185 4.156 4.340 0.000 0.000 0.206 1426 L C 1.470 178.324 176.870 -0.027 0.000 1.074 1426 L CA 1.367 56.184 54.840 -0.038 0.000 0.745 1426 L CB -0.948 41.092 42.059 -0.032 0.000 0.898 1426 L HN 0.191 nan 8.230 nan 0.000 0.433 1427 D N -0.254 120.134 120.400 -0.020 0.000 2.378 1427 D HA -0.017 4.623 4.640 0.000 0.000 0.227 1427 D C 0.881 177.173 176.300 -0.013 0.000 1.012 1427 D CA 0.450 54.441 54.000 -0.014 0.000 0.905 1427 D CB -0.040 40.755 40.800 -0.009 0.000 0.895 1427 D HN 0.194 nan 8.370 nan 0.000 0.532 1428 M N 0.932 120.521 119.600 -0.018 0.000 2.233 1428 M HA 0.163 4.644 4.480 0.000 0.000 0.350 1428 M C -0.174 176.116 176.300 -0.015 0.000 1.176 1428 M CA -0.272 55.018 55.300 -0.016 0.000 1.150 1428 M CB 0.790 33.377 32.600 -0.021 0.000 1.530 1428 M HN -0.258 nan 8.290 nan 0.000 0.459 1429 R N 3.829 124.322 120.500 -0.012 0.000 2.457 1429 R HA 0.305 4.645 4.340 0.000 0.000 0.284 1429 R C 0.868 177.161 176.300 -0.011 0.000 1.024 1429 R CA -0.688 55.405 56.100 -0.011 0.000 1.025 1429 R CB 0.672 30.968 30.300 -0.008 0.000 1.063 1429 R HN 0.825 nan 8.270 nan 0.000 0.493 1430 L N 1.962 123.178 121.223 -0.011 0.000 2.081 1430 L HA -0.228 4.113 4.340 0.000 0.000 0.212 1430 L C 2.399 179.264 176.870 -0.009 0.000 1.080 1430 L CA 1.628 56.462 54.840 -0.010 0.000 0.754 1430 L CB -0.504 41.550 42.059 -0.009 0.000 0.893 1430 L HN 0.658 nan 8.230 nan 0.000 0.433 1431 R N -0.210 120.286 120.500 -0.007 0.000 2.397 1431 R HA -0.119 4.221 4.340 0.000 0.000 0.213 1431 R C 1.847 178.143 176.300 -0.006 0.000 1.102 1431 R CA 0.706 56.802 56.100 -0.006 0.000 1.040 1431 R CB -0.304 29.993 30.300 -0.005 0.000 0.844 1431 R HN 0.212 nan 8.270 nan 0.000 0.478 1432 R N 0.585 121.081 120.500 -0.008 0.000 2.276 1432 R HA 0.172 4.512 4.340 0.000 0.000 0.196 1432 R C 1.785 178.080 176.300 -0.009 0.000 0.961 1432 R CA 0.373 56.468 56.100 -0.008 0.000 1.024 1432 R CB -0.060 30.235 30.300 -0.009 0.000 0.940 1432 R HN 0.360 nan 8.270 nan 0.000 0.480 1433 L N 1.034 122.251 121.223 -0.009 0.000 2.240 1433 L HA -0.028 4.312 4.340 0.000 0.000 0.211 1433 L C 0.816 177.681 176.870 -0.008 0.000 1.106 1433 L CA 0.528 55.363 54.840 -0.010 0.000 0.793 1433 L CB -0.685 41.368 42.059 -0.009 0.000 0.927 1433 L HN 0.133 nan 8.230 nan 0.000 0.446 1434 T N -1.964 112.586 114.554 -0.007 0.000 2.939 1434 T HA -0.044 4.307 4.350 0.000 0.000 0.312 1434 T C 1.559 176.255 174.700 -0.007 0.000 1.064 1434 T CA 0.025 62.122 62.100 -0.006 0.000 1.136 1434 T CB 0.982 69.847 68.868 -0.005 0.000 1.035 1434 T HN 0.342 nan 8.240 nan 0.000 0.538 1435 G N 1.548 110.344 108.800 -0.007 0.000 2.545 1435 G HA2 -0.211 3.749 3.960 0.000 0.000 0.222 1435 G HA3 -0.211 3.749 3.960 0.000 0.000 0.222 1435 G C 1.249 176.145 174.900 -0.008 0.000 1.126 1435 G CA 0.857 45.953 45.100 -0.008 0.000 0.754 1435 G HN 0.644 nan 8.290 nan 0.000 0.583 1436 L N 0.484 121.703 121.223 -0.006 0.000 2.072 1436 L HA 0.054 4.394 4.340 0.000 0.000 0.205 1436 L C 2.833 179.700 176.870 -0.005 0.000 1.079 1436 L CA 1.450 56.286 54.840 -0.005 0.000 0.752 1436 L CB -0.325 41.732 42.059 -0.004 0.000 0.906 1436 L HN 0.266 nan 8.230 nan 0.000 0.436 1437 E N -0.278 119.918 120.200 -0.005 0.000 2.150 1437 E HA -0.207 4.143 4.350 0.000 0.000 0.193 1437 E C 2.118 178.715 176.600 -0.006 0.000 0.985 1437 E CA 0.882 57.280 56.400 -0.004 0.000 0.814 1437 E CB -0.170 29.528 29.700 -0.004 0.000 0.752 1437 E HN 0.535 nan 8.360 nan 0.000 0.466 1438 R N 1.128 121.623 120.500 -0.009 0.000 2.235 1438 R HA -0.050 4.290 4.340 0.000 0.000 0.213 1438 R C 1.589 177.880 176.300 -0.015 0.000 1.059 1438 R CA 1.065 57.156 56.100 -0.015 0.000 0.997 1438 R CB -0.035 30.254 30.300 -0.018 0.000 0.884 1438 R HN 0.120 nan 8.270 nan 0.000 0.462 1439 D N 0.957 121.351 120.400 -0.010 0.000 2.149 1439 D HA -0.102 4.538 4.640 0.000 0.000 0.206 1439 D C 1.533 177.832 176.300 -0.001 0.000 0.967 1439 D CA 1.017 55.012 54.000 -0.008 0.000 0.848 1439 D CB -0.057 40.740 40.800 -0.006 0.000 0.998 1439 D HN 0.118 nan 8.370 nan 0.000 0.474 1440 K N 0.051 120.452 120.400 0.001 0.000 2.217 1440 K HA -0.034 4.286 4.320 0.000 0.000 0.202 1440 K C 2.020 178.630 176.600 0.016 0.000 1.051 1440 K CA 0.188 56.479 56.287 0.007 0.000 0.952 1440 K CB 0.056 32.558 32.500 0.004 0.000 0.736 1440 K HN -0.082 nan 8.250 nan 0.000 0.453 1441 I N 1.513 122.090 120.570 0.012 0.000 2.226 1441 I HA -0.224 3.947 4.170 0.000 0.000 0.245 1441 I C 2.110 178.250 176.117 0.038 0.000 1.100 1441 I CA 1.384 62.698 61.300 0.024 0.000 1.374 1441 I CB -0.241 37.764 38.000 0.007 0.000 1.057 1441 I HN 0.165 nan 8.210 nan 0.000 0.413 1442 E N 0.518 120.723 120.200 0.009 0.000 2.265 1442 E HA -0.171 4.179 4.350 0.000 0.000 0.196 1442 E C 2.069 178.707 176.600 0.063 0.000 0.996 1442 E CA 1.364 57.768 56.400 0.007 0.000 0.832 1442 E CB -0.110 29.578 29.700 -0.021 0.000 0.756 1442 E HN 0.477 nan 8.360 nan 0.000 0.491 1443 A N 0.286 123.137 122.820 0.051 0.000 1.984 1443 A HA -0.033 4.287 4.320 0.000 0.000 0.214 1443 A C 2.095 179.715 177.584 0.060 0.000 1.173 1443 A CA 1.051 53.118 52.037 0.050 0.000 0.673 1443 A CB -0.397 18.618 19.000 0.025 0.000 0.830 1443 A HN 0.376 nan 8.150 nan 0.000 0.453 1444 E N -1.627 118.612 120.200 0.065 0.000 2.216 1444 E HA -0.182 4.168 4.350 0.000 0.000 0.192 1444 E C 1.591 178.241 176.600 0.083 0.000 0.988 1444 E CA 0.764 57.196 56.400 0.052 0.000 0.834 1444 E CB -0.244 29.479 29.700 0.037 0.000 0.772 1444 E HN 0.686 nan 8.360 nan 0.000 0.479 1445 Y N 1.484 121.783 120.300 -0.002 0.000 2.242 1445 Y HA -0.122 4.428 4.550 0.000 0.000 0.291 1445 Y C 1.805 177.712 175.900 0.012 0.000 1.137 1445 Y CA 1.743 59.847 58.100 0.006 0.000 1.181 1445 Y CB 0.046 38.509 38.460 0.004 0.000 0.989 1445 Y HN 0.092 nan 8.280 nan 0.000 0.527 1446 N N 0.368 119.166 118.700 0.163 0.000 2.396 1446 N HA -0.107 4.633 4.740 0.000 0.000 0.180 1446 N C 1.405 176.930 175.510 0.024 0.000 1.028 1446 N CA 1.368 54.474 53.050 0.093 0.000 0.893 1446 N CB -0.120 38.428 38.487 0.101 0.000 0.967 1446 N HN 0.584 nan 8.380 nan 0.000 0.440 1447 E N 0.210 120.415 120.200 0.008 0.000 2.112 1447 E HA -0.068 4.282 4.350 0.000 0.000 0.190 1447 E C 1.606 178.201 176.600 -0.009 0.000 0.979 1447 E CA 0.273 56.667 56.400 -0.009 0.000 0.814 1447 E CB -0.030 29.648 29.700 -0.036 0.000 0.762 1447 E HN 0.067 nan 8.360 nan 0.000 0.460 1448 L N 1.152 122.344 121.223 -0.051 0.000 2.191 1448 L HA -0.135 4.205 4.340 0.000 0.000 0.212 1448 L C 1.753 178.592 176.870 -0.052 0.000 1.103 1448 L CA 1.464 56.276 54.840 -0.047 0.000 0.769 1448 L CB -0.291 41.686 42.059 -0.136 0.000 0.908 1448 L HN 0.102 nan 8.230 nan 0.000 0.438 1449 L N -0.797 120.358 121.223 -0.114 0.000 2.007 1449 L HA -0.175 4.165 4.340 0.000 0.000 0.205 1449 L C 2.403 179.266 176.870 -0.012 0.000 1.073 1449 L CA 1.739 56.526 54.840 -0.089 0.000 0.744 1449 L CB -1.056 40.958 42.059 -0.075 0.000 0.898 1449 L HN 0.394 nan 8.230 nan 0.000 0.435 1450 N N -0.627 118.083 118.700 0.017 0.000 2.192 1450 N HA -0.284 4.457 4.740 0.000 0.000 0.188 1450 N C 2.093 177.657 175.510 0.089 0.000 1.013 1450 N CA 1.272 54.347 53.050 0.042 0.000 0.863 1450 N CB 0.008 38.521 38.487 0.044 0.000 0.990 1450 N HN 0.258 nan 8.380 nan 0.000 0.430 1451 Y N 2.211 122.482 120.300 -0.049 0.000 2.109 1451 Y HA -0.072 4.479 4.550 0.001 0.000 0.285 1451 Y C 2.370 178.243 175.900 -0.046 0.000 1.131 1451 Y CA 1.239 59.312 58.100 -0.045 0.000 1.121 1451 Y CB -0.572 37.857 38.460 -0.052 0.000 0.987 1451 Y HN 0.024 nan 8.280 nan 0.000 0.495 1452 I N -0.742 119.785 120.570 -0.073 0.000 2.248 1452 I HA -0.329 3.842 4.170 0.000 0.000 0.248 1452 I C 2.553 178.589 176.117 -0.135 0.000 1.107 1452 I CA 1.981 63.184 61.300 -0.161 0.000 1.373 1452 I CB -1.415 36.530 38.000 -0.091 0.000 1.055 1452 I HN 0.277 nan 8.210 nan 0.000 0.418 1453 S N 0.303 115.957 115.700 -0.076 0.000 2.428 1453 S HA -0.123 4.348 4.470 0.000 0.000 0.230 1453 S C 1.798 176.362 174.600 -0.060 0.000 1.014 1453 S CA 1.000 59.167 58.200 -0.054 0.000 0.957 1453 S CB -0.018 63.167 63.200 -0.025 0.000 0.784 1453 S HN 0.497 nan 8.310 nan 0.000 0.499 1454 E N 0.487 120.644 120.200 -0.071 0.000 2.086 1454 E HA 0.090 4.440 4.350 0.000 0.000 0.190 1454 E C 2.046 178.572 176.600 -0.123 0.000 0.975 1454 E CA 0.593 56.954 56.400 -0.065 0.000 0.813 1454 E CB -0.163 29.529 29.700 -0.014 0.000 0.768 1454 E HN 0.424 nan 8.360 nan 0.000 0.457 1455 L N 1.031 122.111 121.223 -0.239 0.000 2.042 1455 L HA -0.244 4.096 4.340 0.000 0.000 0.210 1455 L C 2.499 179.275 176.870 -0.156 0.000 1.076 1455 L CA 1.435 56.114 54.840 -0.267 0.000 0.749 1455 L CB -0.186 41.619 42.059 -0.423 0.000 0.893 1455 L HN 0.181 nan 8.230 nan 0.000 0.432 1456 E N -0.675 119.447 120.200 -0.130 0.000 2.051 1456 E HA -0.172 4.178 4.350 0.000 0.000 0.189 1456 E C 2.087 178.648 176.600 -0.064 0.000 0.979 1456 E CA 1.487 57.834 56.400 -0.088 0.000 0.803 1456 E CB 0.139 29.793 29.700 -0.076 0.000 0.761 1456 E HN 0.516 nan 8.360 nan 0.000 0.451 1457 T N -0.636 113.884 114.554 -0.056 0.000 2.803 1457 T HA -0.147 4.203 4.350 0.000 0.000 0.269 1457 T C 1.851 176.526 174.700 -0.041 0.000 1.052 1457 T CA 1.115 63.191 62.100 -0.041 0.000 1.136 1457 T CB -0.314 68.534 68.868 -0.032 0.000 0.864 1457 T HN 0.119 nan 8.240 nan 0.000 0.467 1458 I N 0.122 120.661 120.570 -0.051 0.000 2.480 1458 I HA 0.046 4.217 4.170 0.000 0.000 0.251 1458 I C 2.552 178.640 176.117 -0.047 0.000 1.124 1458 I CA 0.332 61.604 61.300 -0.046 0.000 1.444 1458 I CB -0.302 37.669 38.000 -0.049 0.000 1.098 1458 I HN 0.185 nan 8.210 nan 0.000 0.428 1459 L N 1.275 122.464 121.223 -0.057 0.000 2.046 1459 L HA -0.193 4.147 4.340 0.000 0.000 0.208 1459 L C 2.612 179.457 176.870 -0.041 0.000 1.077 1459 L CA 2.464 57.273 54.840 -0.052 0.000 0.747 1459 L CB -0.943 41.081 42.059 -0.059 0.000 0.896 1459 L HN 0.224 nan 8.230 nan 0.000 0.432 1460 A N -1.022 121.774 122.820 -0.039 0.000 1.843 1460 A HA -0.125 4.196 4.320 0.000 0.000 0.213 1460 A C 1.011 178.578 177.584 -0.029 0.000 1.202 1460 A CA 0.544 52.562 52.037 -0.032 0.000 0.607 1460 A CB -0.571 18.411 19.000 -0.029 0.000 0.847 1460 A HN 0.438 nan 8.150 nan 0.000 0.445 1461 D N 0.302 120.685 120.400 -0.028 0.000 2.401 1461 D HA 0.060 4.700 4.640 0.000 0.000 0.254 1461 D C 0.727 177.012 176.300 -0.026 0.000 1.192 1461 D CA 0.037 54.023 54.000 -0.024 0.000 0.885 1461 D CB 0.673 41.459 40.800 -0.022 0.000 1.147 1461 D HN 0.310 nan 8.370 nan 0.000 0.478 1462 E N 3.011 123.196 120.200 -0.024 0.000 2.047 1462 E HA -0.211 4.140 4.350 0.000 0.000 0.191 1462 E C 1.403 177.988 176.600 -0.024 0.000 0.987 1462 E CA 0.854 57.239 56.400 -0.026 0.000 0.799 1462 E CB 0.105 29.790 29.700 -0.025 0.000 0.752 1462 E HN 0.565 nan 8.360 nan 0.000 0.449 1463 E N 0.879 121.067 120.200 -0.020 0.000 2.204 1463 E HA -0.109 4.241 4.350 0.000 0.000 0.195 1463 E C 1.798 178.389 176.600 -0.016 0.000 0.990 1463 E CA 0.633 57.023 56.400 -0.017 0.000 0.821 1463 E CB 0.049 29.740 29.700 -0.015 0.000 0.750 1463 E HN 0.001 nan 8.360 nan 0.000 0.477 1464 V N 0.667 120.571 119.914 -0.017 0.000 3.235 1464 V HA -0.004 4.116 4.120 0.000 0.000 0.259 1464 V C 2.128 178.211 176.094 -0.018 0.000 1.133 1464 V CA 1.024 63.314 62.300 -0.016 0.000 1.128 1464 V CB -0.185 31.628 31.823 -0.016 0.000 0.757 1464 V HN 0.343 nan 8.190 nan 0.000 0.469 1465 L N -0.702 120.508 121.223 -0.023 0.000 2.162 1465 L HA 0.004 4.345 4.340 0.000 0.000 0.205 1465 L C 2.283 179.140 176.870 -0.023 0.000 1.086 1465 L CA 1.010 55.835 54.840 -0.025 0.000 0.778 1465 L CB -0.140 41.899 42.059 -0.033 0.000 0.928 1465 L HN 0.220 nan 8.230 nan 0.000 0.446 1466 L N 0.325 121.534 121.223 -0.022 0.000 1.990 1466 L HA -0.273 4.068 4.340 0.000 0.000 0.213 1466 L C 2.577 179.441 176.870 -0.011 0.000 1.072 1466 L CA 1.924 56.752 54.840 -0.019 0.000 0.755 1466 L CB -1.250 40.798 42.059 -0.018 0.000 0.889 1466 L HN 0.422 nan 8.230 nan 0.000 0.432 1467 Q N -0.627 119.168 119.800 -0.008 0.000 2.062 1467 Q HA -0.244 4.096 4.340 0.000 0.000 0.209 1467 Q C 2.248 178.249 176.000 0.002 0.000 0.996 1467 Q CA 2.118 57.920 55.803 -0.002 0.000 0.859 1467 Q CB -0.700 28.037 28.738 -0.002 0.000 0.920 1467 Q HN 0.439 nan 8.270 nan 0.000 0.415 1468 L N -0.953 120.270 121.223 -0.001 0.000 1.997 1468 L HA -0.234 4.106 4.340 0.000 0.000 0.216 1468 L C 2.268 179.142 176.870 0.007 0.000 1.074 1468 L CA 1.643 56.486 54.840 0.004 0.000 0.763 1468 L CB -0.776 41.282 42.059 -0.001 0.000 0.890 1468 L HN 0.156 nan 8.230 nan 0.000 0.434 1469 V N -1.081 118.832 119.914 -0.003 0.000 2.490 1469 V HA -0.267 3.853 4.120 0.000 0.000 0.250 1469 V C 2.513 178.618 176.094 0.019 0.000 1.061 1469 V CA 1.660 63.959 62.300 -0.001 0.000 1.064 1469 V CB -0.849 30.958 31.823 -0.027 0.000 0.670 1469 V HN 0.407 nan 8.190 nan 0.000 0.461 1470 R N 0.477 120.986 120.500 0.015 0.000 2.075 1470 R HA -0.144 4.196 4.340 0.000 0.000 0.230 1470 R C 2.197 178.515 176.300 0.029 0.000 1.140 1470 R CA 1.931 58.045 56.100 0.023 0.000 0.928 1470 R CB -0.635 29.673 30.300 0.013 0.000 0.834 1470 R HN 0.477 nan 8.270 nan 0.000 0.429 1471 D N 0.754 121.168 120.400 0.023 0.000 2.116 1471 D HA -0.184 4.456 4.640 0.000 0.000 0.193 1471 D C 1.749 178.071 176.300 0.036 0.000 0.998 1471 D CA 1.379 55.394 54.000 0.026 0.000 0.836 1471 D CB -0.324 40.489 40.800 0.022 0.000 0.951 1471 D HN 0.328 nan 8.370 nan 0.000 0.449 1472 E N -0.147 120.078 120.200 0.041 0.000 2.209 1472 E HA -0.100 4.250 4.350 0.000 0.000 0.196 1472 E C 2.216 178.859 176.600 0.071 0.000 0.993 1472 E CA 0.419 56.851 56.400 0.055 0.000 0.819 1472 E CB 0.031 29.764 29.700 0.054 0.000 0.745 1472 E HN 0.290 nan 8.360 nan 0.000 0.477 1473 L N -0.069 121.197 121.223 0.071 0.000 2.127 1473 L HA -0.073 4.267 4.340 0.000 0.000 0.203 1473 L C 2.310 179.217 176.870 0.063 0.000 1.080 1473 L CA 1.099 55.991 54.840 0.086 0.000 0.768 1473 L CB -0.593 41.526 42.059 0.100 0.000 0.924 1473 L HN 0.134 nan 8.230 nan 0.000 0.444 1474 T N -0.826 113.756 114.554 0.047 0.000 2.897 1474 T HA -0.186 4.164 4.350 0.000 0.000 0.271 1474 T C 1.763 176.483 174.700 0.033 0.000 1.084 1474 T CA 1.067 63.187 62.100 0.033 0.000 1.123 1474 T CB -0.086 68.797 68.868 0.024 0.000 0.865 1474 T HN 0.265 nan 8.240 nan 0.000 0.496 1475 E N 0.908 121.134 120.200 0.042 0.000 2.086 1475 E HA 0.030 4.380 4.350 0.000 0.000 0.190 1475 E C 2.166 178.799 176.600 0.055 0.000 0.975 1475 E CA 0.502 56.927 56.400 0.041 0.000 0.813 1475 E CB -0.076 29.650 29.700 0.044 0.000 0.768 1475 E HN 0.512 nan 8.360 nan 0.000 0.457 1476 I N 0.859 121.481 120.570 0.086 0.000 2.286 1476 I HA -0.225 3.945 4.170 0.000 0.000 0.248 1476 I C 2.829 179.009 176.117 0.106 0.000 1.115 1476 I CA 0.804 62.187 61.300 0.138 0.000 1.392 1476 I CB -0.375 37.705 38.000 0.133 0.000 1.065 1476 I HN 0.014 nan 8.210 nan 0.000 0.418 1477 R N 1.246 121.780 120.500 0.056 0.000 2.117 1477 R HA -0.218 4.122 4.340 0.000 0.000 0.243 1477 R C 1.609 177.922 176.300 0.021 0.000 1.143 1477 R CA 2.223 58.342 56.100 0.032 0.000 0.968 1477 R CB -0.182 30.131 30.300 0.022 0.000 0.863 1477 R HN 0.360 nan 8.270 nan 0.000 0.444 1478 D N -0.507 119.898 120.400 0.009 0.000 2.137 1478 D HA -0.124 4.516 4.640 0.000 0.000 0.202 1478 D C 1.924 178.186 176.300 -0.063 0.000 0.970 1478 D CA 0.969 54.958 54.000 -0.018 0.000 0.837 1478 D CB -0.267 40.523 40.800 -0.017 0.000 0.981 1478 D HN 0.221 nan 8.370 nan 0.000 0.475 1479 R N -1.023 119.420 120.500 -0.096 0.000 2.153 1479 R HA 0.016 4.357 4.340 0.000 0.000 0.218 1479 R C 1.144 177.127 176.300 -0.527 0.000 1.072 1479 R CA 0.906 56.833 56.100 -0.289 0.000 0.990 1479 R CB 0.020 30.137 30.300 -0.305 0.000 0.889 1479 R HN 0.089 nan 8.270 nan 0.000 0.452 1480 F N -1.302 118.610 119.950 -0.062 0.000 2.711 1480 F HA 0.382 4.909 4.527 0.001 0.000 0.296 1480 F C 1.197 176.969 175.800 -0.047 0.000 1.096 1480 F CA 0.069 58.018 58.000 -0.085 0.000 1.280 1480 F CB 0.021 38.900 39.000 -0.202 0.000 1.060 1480 F HN -0.034 nan 8.300 nan 0.000 0.608 1481 G N 1.595 110.455 108.800 0.099 0.000 2.313 1481 G HA2 0.321 4.281 3.960 0.000 0.000 0.250 1481 G HA3 0.321 4.281 3.960 0.000 0.000 0.250 1481 G C -0.548 174.405 174.900 0.088 0.000 1.281 1481 G CA -0.093 45.057 45.100 0.082 0.000 0.917 1481 G HN 0.267 nan 8.290 nan 0.000 0.501 1482 D N 1.185 121.664 120.400 0.131 0.000 2.607 1482 D HA 0.451 5.092 4.640 0.000 0.000 0.253 1482 D C -0.543 175.798 176.300 0.067 0.000 1.171 1482 D CA -0.789 53.266 54.000 0.092 0.000 1.084 1482 D CB 0.427 41.287 40.800 0.099 0.000 1.203 1482 D HN 0.294 nan 8.370 nan 0.000 0.629 1483 D N -1.592 118.836 120.400 0.046 0.000 2.277 1483 D HA 0.336 4.976 4.640 0.000 0.000 0.250 1483 D C -0.346 175.971 176.300 0.028 0.000 1.032 1483 D CA -0.650 53.368 54.000 0.031 0.000 0.947 1483 D CB 1.078 41.889 40.800 0.019 0.000 1.159 1483 D HN 0.277 nan 8.370 nan 0.000 0.460 1484 R N 1.274 121.785 120.500 0.019 0.000 2.370 1484 R HA 0.143 4.483 4.340 0.000 0.000 0.309 1484 R C 0.566 176.866 176.300 -0.000 0.000 1.059 1484 R CA 0.069 56.174 56.100 0.007 0.000 0.981 1484 R CB 0.374 30.674 30.300 -0.000 0.000 0.972 1484 R HN 0.479 nan 8.270 nan 0.000 0.437 1485 R N 1.734 122.230 120.500 -0.007 0.000 2.112 1485 R HA 0.036 4.377 4.340 0.000 0.000 0.216 1485 R C 0.344 176.649 176.300 0.008 0.000 1.080 1485 R CA 0.685 56.788 56.100 0.004 0.000 0.996 1485 R CB 0.294 30.600 30.300 0.009 0.000 0.902 1485 R HN 0.441 nan 8.270 nan 0.000 0.449 1486 T N 0.902 115.443 114.554 -0.023 0.000 2.824 1486 T HA 0.183 4.534 4.350 0.000 0.000 0.280 1486 T C -0.993 173.682 174.700 -0.042 0.000 0.995 1486 T CA -0.468 61.619 62.100 -0.022 0.000 1.009 1486 T CB 1.835 70.656 68.868 -0.078 0.000 0.955 1486 T HN 0.049 nan 8.240 nan 0.000 0.452 1487 E N 3.249 123.443 120.200 -0.011 0.000 2.214 1487 E HA 0.572 4.923 4.350 0.000 0.000 0.274 1487 E C -0.627 175.960 176.600 -0.021 0.000 0.977 1487 E CA -0.781 55.610 56.400 -0.014 0.000 0.827 1487 E CB 0.851 30.553 29.700 0.003 0.000 1.130 1487 E HN 0.616 nan 8.360 nan 0.000 0.394 1488 I N 0.784 121.338 120.570 -0.026 0.000 2.436 1488 I HA 0.476 4.646 4.170 0.000 0.000 0.289 1488 I C -0.807 175.299 176.117 -0.019 0.000 1.010 1488 I CA -0.892 60.390 61.300 -0.029 0.000 1.098 1488 I CB 1.707 39.684 38.000 -0.038 0.000 1.266 1488 I HN 0.423 nan 8.210 nan 0.000 0.434 1489 Q N 4.335 124.123 119.800 -0.020 0.000 2.375 1489 Q HA 0.465 4.805 4.340 0.000 0.000 0.271 1489 Q C -1.010 174.979 176.000 -0.019 0.000 1.074 1489 Q CA -0.906 54.886 55.803 -0.017 0.000 0.808 1489 Q CB 3.214 31.940 28.738 -0.020 0.000 1.327 1489 Q HN 0.790 nan 8.270 nan 0.000 0.441 1490 L N 0.000 121.215 121.223 -0.014 0.000 2.949 1490 L HA 0.000 4.340 4.340 0.000 0.000 0.249 1490 L CA 0.000 54.832 54.840 -0.013 0.000 0.813 1490 L CB 0.000 42.054 42.059 -0.008 0.000 0.961 1490 L HN 0.000 nan 8.230 nan 0.000 0.502