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 2xct_1_U DATA FIRST_RESID 418 DATA SEQUENCE LADCSSKSPE ECEIFLVEGD SAGGSTKSGR DSRTQAILPL RGKILNVEKA DATA SEQUENCE RLDRILNNNE IRQMITAFGT GIGGDFDLAK ARYHKIVIMT DADVDGAHIR DATA SEQUENCE TLLLTFFYRF MRPLIEAGYV YIAQPPTXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXKGLGEMN ADQLWETTMN PEHRALLQVK LEDAIEADQT DATA SEQUENCE FEMLMGDVVE NRRQFIEDNA VYXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXNITSE DATA SEQUENCE MRESFLDYAM SVIVARALPD VRDGLKPVHR RILYGLNEQG MTPDKSYKKS DATA SEQUENCE ARIVGDVMGK YHPHGDSSIY EAMVRMAQDF SYRYPLVDGQ GNFGSMDGDG DATA SEQUENCE AAAMRFTEAR MTKITLELLR DINKDTIDFI DNYDGNEREP SVLPARFPNL DATA SEQUENCE LANGASGIAV GMATNIPPHN LTELINGVLS LSKNPDISIA ELMEDIEGPD DATA SEQUENCE FPTAGLILGK SGIRRAYETG RGSIQMRSRA VIEERGGGRQ RIVVTEIPFQ DATA SEQUENCE VNKARMIEKI AELVRDKKID GITDLRDETS LRTGVRVVID VRKDANASVI DATA SEQUENCE LNNLYKQTPL QTSFGVNMIA LVNGRPKLIN LKEALVHYLE HQKTVVRRRT DATA SEQUENCE QYNLRKAKDR AHILEGLRIA LDHIDEIIST IRESDTDKVA MESLQQRFKL DATA SEQUENCE SEKQAQAILD MRLRRLTGLE RDKIEAEYNE LLNYISELET ILADEEVLLQ DATA SEQUENCE LVRDELTEIR DRFGDDRRTE IQLG 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 418 L HA 0.000 nan 4.340 nan 0.000 0.249 418 L C 0.000 176.897 176.870 0.046 0.000 1.165 418 L CA 0.000 54.860 54.840 0.034 0.000 0.813 418 L CB 0.000 42.082 42.059 0.038 0.000 0.961 419 A N 2.980 125.833 122.820 0.055 0.000 2.276 419 A HA 0.702 5.024 4.320 0.004 0.000 0.316 419 A C -0.820 176.817 177.584 0.089 0.000 1.229 419 A CA -0.392 51.681 52.037 0.061 0.000 0.851 419 A CB 0.705 19.736 19.000 0.052 0.000 1.165 419 A HN 0.647 nan 8.150 nan 0.000 0.513 420 D N 1.275 121.731 120.400 0.093 0.000 2.217 420 D HA 0.445 5.087 4.640 0.004 0.000 0.248 420 D C 0.401 176.771 176.300 0.118 0.000 1.008 420 D CA -0.375 53.704 54.000 0.131 0.000 0.914 420 D CB 1.482 42.358 40.800 0.126 0.000 1.182 420 D HN 0.749 nan 8.370 nan 0.000 0.451 421 C N 1.116 120.508 119.300 0.152 0.000 2.676 421 C HA 0.327 4.789 4.460 0.004 0.000 0.416 421 C C 1.799 176.827 174.990 0.064 0.000 1.299 421 C CA -0.486 58.600 59.018 0.114 0.000 2.048 421 C CB 0.017 27.842 27.740 0.142 0.000 2.713 421 C HN 0.493 nan 8.230 nan 0.000 0.624 422 S N 1.110 116.835 115.700 0.042 0.000 2.436 422 S HA -0.039 4.434 4.470 0.004 0.000 0.228 422 S C 1.155 175.759 174.600 0.006 0.000 1.014 422 S CA 0.914 59.127 58.200 0.021 0.000 0.950 422 S CB -0.230 62.979 63.200 0.014 0.000 0.784 422 S HN 0.958 nan 8.310 nan 0.000 0.504 423 S N 1.048 116.748 115.700 0.001 0.000 2.603 423 S HA 0.499 4.972 4.470 0.004 0.000 0.268 423 S C 0.321 174.893 174.600 -0.046 0.000 1.317 423 S CA -0.199 57.988 58.200 -0.021 0.000 1.012 423 S CB 0.883 64.069 63.200 -0.024 0.000 0.926 423 S HN 0.337 nan 8.310 nan 0.000 0.539 424 K N 1.417 121.783 120.400 -0.057 0.000 3.010 424 K HA 0.457 4.779 4.320 0.004 0.000 0.211 424 K C -0.008 176.535 176.600 -0.096 0.000 1.146 424 K CA -0.178 56.063 56.287 -0.077 0.000 1.070 424 K CB 0.477 32.947 32.500 -0.050 0.000 0.908 424 K HN 0.511 nan 8.250 nan 0.000 0.463 425 S N 1.441 117.072 115.700 -0.115 0.000 2.601 425 S HA 0.457 4.930 4.470 0.004 0.000 0.312 425 S C -2.201 172.292 174.600 -0.178 0.000 1.107 425 S CA -1.594 56.529 58.200 -0.128 0.000 1.129 425 S CB 1.446 64.581 63.200 -0.107 0.000 0.982 425 S HN 0.207 nan 8.310 nan 0.000 0.469 426 P HA -0.106 nan 4.420 nan 0.000 0.216 426 P C 1.089 178.204 177.300 -0.309 0.000 1.153 426 P CA 0.902 63.900 63.100 -0.171 0.000 0.844 426 P CB -0.002 31.671 31.700 -0.045 0.000 0.787 427 E N 0.787 120.625 120.200 -0.603 0.000 2.510 427 E HA -0.202 4.150 4.350 0.004 0.000 0.202 427 E C 1.297 177.474 176.600 -0.705 0.000 1.072 427 E CA 1.034 56.602 56.400 -1.386 0.000 0.883 427 E CB -0.483 28.766 29.700 -0.753 0.000 0.818 427 E HN 0.460 nan 8.360 nan 0.000 0.548 428 E N -0.807 119.178 120.200 -0.360 0.000 2.502 428 E HA 0.157 4.509 4.350 0.004 0.000 0.206 428 E C 0.384 176.926 176.600 -0.097 0.000 0.821 428 E CA -0.331 55.957 56.400 -0.187 0.000 1.354 428 E CB -0.272 29.347 29.700 -0.135 0.000 1.336 428 E HN 0.079 nan 8.360 nan 0.000 0.675 429 C N 2.888 122.138 119.300 -0.083 0.000 2.741 429 C HA 0.184 4.646 4.460 0.004 0.000 0.403 429 C C 0.124 175.216 174.990 0.171 0.000 1.282 429 C CA 0.251 59.285 59.018 0.028 0.000 2.053 429 C CB -0.297 27.370 27.740 -0.122 0.000 2.731 429 C HN 0.526 nan 8.230 nan 0.000 0.680 430 E N 2.013 122.401 120.200 0.313 0.000 2.349 430 E HA 0.383 4.735 4.350 0.004 0.000 0.290 430 E C -1.472 175.061 176.600 -0.112 0.000 0.901 430 E CA -0.472 55.982 56.400 0.091 0.000 0.800 430 E CB 0.991 30.597 29.700 -0.158 0.000 1.303 430 E HN 0.718 nan 8.360 nan 0.000 0.397 431 I N 3.897 124.240 120.570 -0.378 0.000 2.396 431 I HA 0.404 4.577 4.170 0.004 0.000 0.292 431 I C -1.206 174.728 176.117 -0.304 0.000 0.999 431 I CA -0.752 60.241 61.300 -0.512 0.000 1.310 431 I CB 0.478 38.040 38.000 -0.730 0.000 1.404 431 I HN 0.526 nan 8.210 nan 0.000 0.496 432 F N 6.999 126.931 119.950 -0.031 0.000 2.436 432 F HA 0.415 4.944 4.527 0.004 0.000 0.340 432 F C -0.415 175.416 175.800 0.052 0.000 1.113 432 F CA -0.773 57.246 58.000 0.031 0.000 1.022 432 F CB 1.540 40.559 39.000 0.031 0.000 1.128 432 F HN 0.218 nan 8.300 nan 0.000 0.466 433 L N 6.002 127.405 121.223 0.300 0.000 2.297 433 L HA 0.491 4.833 4.340 0.004 0.000 0.277 433 L C -0.057 176.913 176.870 0.167 0.000 1.040 433 L CA -0.864 54.100 54.840 0.207 0.000 0.867 433 L CB 0.307 42.505 42.059 0.231 0.000 1.244 433 L HN 0.413 nan 8.230 nan 0.000 0.433 434 V N -0.450 119.529 119.914 0.108 0.000 3.262 434 V HA 0.374 4.496 4.120 0.004 0.000 0.313 434 V C 0.907 177.013 176.094 0.021 0.000 1.070 434 V CA -0.410 61.920 62.300 0.051 0.000 1.049 434 V CB 1.845 33.672 31.823 0.008 0.000 1.157 434 V HN 0.689 nan 8.190 nan 0.000 0.454 435 E N 0.731 120.925 120.200 -0.010 0.000 2.489 435 E HA 0.324 4.676 4.350 0.004 0.000 0.193 435 E C 0.531 177.108 176.600 -0.038 0.000 1.057 435 E CA 0.897 57.284 56.400 -0.021 0.000 0.866 435 E CB 0.543 30.220 29.700 -0.038 0.000 0.916 435 E HN 1.062 nan 8.360 nan 0.000 0.500 436 G N 0.031 108.806 108.800 -0.041 0.000 2.315 436 G HA2 -0.007 3.955 3.960 0.004 0.000 0.294 436 G HA3 -0.007 3.955 3.960 0.004 0.000 0.294 436 G C -0.545 174.337 174.900 -0.029 0.000 1.300 436 G CA -0.473 44.606 45.100 -0.035 0.000 0.843 436 G HN -0.137 nan 8.290 nan 0.000 0.527 437 D N 0.036 120.432 120.400 -0.006 0.000 2.123 437 D HA 0.023 4.665 4.640 0.004 0.000 0.200 437 D C 2.603 178.902 176.300 -0.001 0.000 0.976 437 D CA 1.769 55.774 54.000 0.008 0.000 0.831 437 D CB -0.077 40.742 40.800 0.031 0.000 0.974 437 D HN 0.229 nan 8.370 nan 0.000 0.469 438 S N 0.434 116.127 115.700 -0.011 0.000 2.368 438 S HA -0.054 4.418 4.470 0.004 0.000 0.224 438 S C 2.007 176.523 174.600 -0.140 0.000 1.029 438 S CA 1.041 59.217 58.200 -0.041 0.000 0.988 438 S CB -0.124 63.027 63.200 -0.082 0.000 0.838 438 S HN 0.359 nan 8.310 nan 0.000 0.462 439 A N 1.130 123.835 122.820 -0.191 0.000 2.208 439 A HA 0.389 4.712 4.320 0.004 0.000 0.209 439 A C 2.089 179.618 177.584 -0.092 0.000 1.161 439 A CA 0.891 52.829 52.037 -0.165 0.000 0.782 439 A CB -0.813 18.077 19.000 -0.183 0.000 0.816 439 A HN 0.478 nan 8.150 nan 0.000 0.477 440 G N 0.140 108.903 108.800 -0.061 0.000 2.404 440 G HA2 0.043 4.005 3.960 0.004 0.000 0.215 440 G HA3 0.043 4.005 3.960 0.004 0.000 0.215 440 G C 1.477 176.364 174.900 -0.022 0.000 1.174 440 G CA 1.150 46.232 45.100 -0.030 0.000 0.780 440 G HN 0.575 nan 8.290 nan 0.000 0.537 441 G N 0.665 109.456 108.800 -0.016 0.000 2.414 441 G HA2 -0.128 3.834 3.960 0.004 0.000 0.215 441 G HA3 -0.128 3.834 3.960 0.004 0.000 0.215 441 G C 2.077 176.969 174.900 -0.012 0.000 1.188 441 G CA 1.385 46.482 45.100 -0.005 0.000 0.783 441 G HN 0.378 nan 8.290 nan 0.000 0.537 442 S N 0.189 115.874 115.700 -0.025 0.000 2.409 442 S HA -0.206 4.266 4.470 0.004 0.000 0.237 442 S C 2.301 176.892 174.600 -0.015 0.000 1.060 442 S CA 1.961 60.148 58.200 -0.022 0.000 1.052 442 S CB -0.429 62.743 63.200 -0.047 0.000 0.871 442 S HN 0.463 nan 8.310 nan 0.000 0.465 443 T N 0.351 114.885 114.554 -0.034 0.000 3.044 443 T HA 0.103 4.455 4.350 0.004 0.000 0.255 443 T C 1.728 176.418 174.700 -0.017 0.000 1.073 443 T CA 0.883 62.956 62.100 -0.046 0.000 1.125 443 T CB 0.012 68.815 68.868 -0.108 0.000 0.908 443 T HN 0.404 nan 8.240 nan 0.000 0.480 444 K N 1.055 121.450 120.400 -0.009 0.000 2.217 444 K HA 0.103 4.425 4.320 0.004 0.000 0.202 444 K C 2.254 178.847 176.600 -0.011 0.000 1.051 444 K CA 0.939 57.228 56.287 0.004 0.000 0.952 444 K CB -0.018 32.488 32.500 0.010 0.000 0.736 444 K HN 0.049 nan 8.250 nan 0.000 0.453 445 S N -0.269 115.418 115.700 -0.022 0.000 2.356 445 S HA 0.018 4.490 4.470 0.004 0.000 0.219 445 S C 1.785 176.331 174.600 -0.090 0.000 1.036 445 S CA 0.946 59.117 58.200 -0.048 0.000 0.965 445 S CB -0.226 62.952 63.200 -0.037 0.000 0.864 445 S HN 0.578 nan 8.310 nan 0.000 0.471 446 G N 2.616 111.379 108.800 -0.062 0.000 2.740 446 G HA2 -0.081 3.881 3.960 0.004 0.000 0.208 446 G HA3 -0.081 3.881 3.960 0.004 0.000 0.208 446 G C 0.407 175.278 174.900 -0.050 0.000 1.148 446 G CA -0.056 44.991 45.100 -0.087 0.000 0.795 446 G HN 0.560 nan 8.290 nan 0.000 0.526 447 R N -0.619 119.864 120.500 -0.028 0.000 2.596 447 R HA 0.559 4.901 4.340 0.004 0.000 0.267 447 R C -1.217 175.079 176.300 -0.007 0.000 1.026 447 R CA -0.920 55.212 56.100 0.053 0.000 1.087 447 R CB 0.937 31.289 30.300 0.087 0.000 1.132 447 R HN -0.074 nan 8.270 nan 0.000 0.531 448 D N 0.669 121.116 120.400 0.079 0.000 2.427 448 D HA 0.062 4.704 4.640 0.004 0.000 0.226 448 D C 0.535 176.875 176.300 0.068 0.000 1.076 448 D CA -0.587 53.442 54.000 0.049 0.000 0.849 448 D CB 1.562 42.426 40.800 0.106 0.000 1.052 448 D HN 0.665 nan 8.370 nan 0.000 0.515 449 S N 2.756 118.477 115.700 0.035 0.000 2.442 449 S HA -0.207 4.265 4.470 0.004 0.000 0.236 449 S C 2.150 176.781 174.600 0.051 0.000 1.007 449 S CA 1.192 59.419 58.200 0.045 0.000 0.965 449 S CB -0.383 62.830 63.200 0.022 0.000 0.773 449 S HN 0.520 nan 8.310 nan 0.000 0.504 450 R N 1.745 122.270 120.500 0.042 0.000 2.057 450 R HA 0.048 4.390 4.340 0.004 0.000 0.229 450 R C 2.483 178.811 176.300 0.045 0.000 1.136 450 R CA 1.922 58.041 56.100 0.032 0.000 0.952 450 R CB -1.990 28.322 30.300 0.019 0.000 0.848 450 R HN 0.836 nan 8.270 nan 0.000 0.430 451 T N -3.034 111.561 114.554 0.068 0.000 3.174 451 T HA 0.359 4.711 4.350 0.004 0.000 0.269 451 T C 0.057 174.846 174.700 0.148 0.000 1.017 451 T CA -0.317 61.832 62.100 0.082 0.000 0.899 451 T CB 0.150 69.052 68.868 0.057 0.000 1.077 451 T HN 0.507 nan 8.240 nan 0.000 0.552 452 Q N 0.562 120.469 119.800 0.178 0.000 2.263 452 Q HA 0.699 5.041 4.340 0.004 0.000 0.266 452 Q C -1.591 174.549 176.000 0.232 0.000 1.002 452 Q CA -0.751 55.195 55.803 0.239 0.000 0.790 452 Q CB 2.433 31.341 28.738 0.284 0.000 1.272 452 Q HN 0.461 nan 8.270 nan 0.000 0.435 453 A N 3.227 126.202 122.820 0.259 0.000 2.386 453 A HA 0.859 5.181 4.320 0.004 0.000 0.311 453 A C -0.785 176.894 177.584 0.159 0.000 1.068 453 A CA -0.595 51.566 52.037 0.207 0.000 0.743 453 A CB 0.900 20.068 19.000 0.281 0.000 1.258 453 A HN 0.702 nan 8.150 nan 0.000 0.429 454 I N 0.239 120.893 120.570 0.140 0.000 2.707 454 I HA 0.673 4.845 4.170 0.004 0.000 0.309 454 I C -0.947 175.221 176.117 0.086 0.000 1.001 454 I CA -1.063 60.325 61.300 0.147 0.000 1.129 454 I CB 1.689 39.763 38.000 0.124 0.000 1.308 454 I HN 0.432 nan 8.210 nan 0.000 0.466 455 L N 5.615 126.892 121.223 0.090 0.000 2.415 455 L HA 0.568 4.910 4.340 0.004 0.000 0.268 455 L C -2.684 174.215 176.870 0.050 0.000 0.984 455 L CA -1.728 53.140 54.840 0.047 0.000 0.853 455 L CB 1.541 43.612 42.059 0.020 0.000 1.215 455 L HN 0.284 nan 8.230 nan 0.000 0.419 456 P HA 0.264 nan 4.420 nan 0.000 0.282 456 P C -0.777 176.521 177.300 -0.003 0.000 1.262 456 P CA -0.113 62.995 63.100 0.014 0.000 0.773 456 P CB 0.649 32.353 31.700 0.007 0.000 0.879 457 L N 4.037 125.258 121.223 -0.004 0.000 2.349 457 L HA 0.318 4.661 4.340 0.004 0.000 0.275 457 L C 1.379 178.240 176.870 -0.015 0.000 1.115 457 L CA -0.458 54.369 54.840 -0.021 0.000 0.820 457 L CB 0.563 42.609 42.059 -0.021 0.000 1.135 457 L HN 0.270 nan 8.230 nan 0.000 0.445 458 R N 2.673 123.160 120.500 -0.022 0.000 4.559 458 R HA 0.100 4.442 4.340 0.004 0.000 0.177 458 R C 1.038 177.336 176.300 -0.003 0.000 1.875 458 R CA 0.661 56.755 56.100 -0.010 0.000 1.509 458 R CB -0.598 29.693 30.300 -0.015 0.000 1.395 458 R HN 1.022 nan 8.270 nan 0.000 0.830 459 G N 1.405 110.207 108.800 0.004 0.000 2.687 459 G HA2 -0.332 3.630 3.960 0.004 0.000 0.303 459 G HA3 -0.332 3.630 3.960 0.004 0.000 0.303 459 G C -0.311 174.600 174.900 0.018 0.000 1.209 459 G CA -0.084 45.025 45.100 0.016 0.000 0.968 459 G HN 0.343 nan 8.290 nan 0.000 0.549 460 K N 0.629 121.045 120.400 0.026 0.000 2.185 460 K HA 0.608 4.930 4.320 0.004 0.000 0.271 460 K C -0.294 176.308 176.600 0.004 0.000 1.013 460 K CA -0.587 55.724 56.287 0.041 0.000 0.943 460 K CB 1.606 34.147 32.500 0.068 0.000 0.998 460 K HN 0.341 nan 8.250 nan 0.000 0.468 461 I N 2.669 123.233 120.570 -0.010 0.000 2.460 461 I HA 0.178 4.350 4.170 0.004 0.000 0.298 461 I C -0.268 175.820 176.117 -0.047 0.000 0.989 461 I CA -1.344 59.920 61.300 -0.061 0.000 1.173 461 I CB 1.272 39.208 38.000 -0.107 0.000 1.338 461 I HN 0.472 nan 8.210 nan 0.000 0.456 462 L N 6.712 127.895 121.223 -0.067 0.000 2.529 462 L HA 0.084 4.426 4.340 0.004 0.000 0.287 462 L C -0.002 176.845 176.870 -0.039 0.000 1.241 462 L CA 0.467 55.280 54.840 -0.044 0.000 0.857 462 L CB 0.088 42.109 42.059 -0.064 0.000 1.113 462 L HN 0.738 nan 8.230 nan 0.000 0.504 463 N N 3.081 121.782 118.700 0.001 0.000 2.462 463 N HA 0.159 4.901 4.740 0.004 0.000 0.242 463 N C 0.840 176.369 175.510 0.031 0.000 1.010 463 N CA -0.047 53.016 53.050 0.022 0.000 0.939 463 N CB 0.994 39.512 38.487 0.051 0.000 1.127 463 N HN 0.573 nan 8.380 nan 0.000 0.509 464 V N 1.456 121.387 119.914 0.028 0.000 2.332 464 V HA -0.173 3.949 4.120 0.004 0.000 0.248 464 V C 1.945 178.100 176.094 0.101 0.000 1.055 464 V CA 1.389 63.707 62.300 0.029 0.000 1.038 464 V CB -0.585 31.221 31.823 -0.029 0.000 0.651 464 V HN 0.528 nan 8.190 nan 0.000 0.450 465 E N 1.250 121.528 120.200 0.129 0.000 2.035 465 E HA -0.263 4.089 4.350 0.004 0.000 0.204 465 E C 2.245 178.907 176.600 0.103 0.000 1.025 465 E CA 2.473 58.956 56.400 0.138 0.000 0.835 465 E CB -0.292 29.497 29.700 0.148 0.000 0.764 465 E HN 0.765 nan 8.360 nan 0.000 0.457 466 K N 0.569 121.019 120.400 0.084 0.000 1.973 466 K HA -0.024 4.298 4.320 0.004 0.000 0.212 466 K C 1.275 177.911 176.600 0.059 0.000 1.047 466 K CA 0.840 57.166 56.287 0.066 0.000 0.937 466 K CB -0.361 32.174 32.500 0.058 0.000 0.721 466 K HN 0.054 nan 8.250 nan 0.000 0.440 467 A N 2.271 125.123 122.820 0.054 0.000 2.555 467 A HA -0.008 4.314 4.320 0.004 0.000 0.233 467 A C 0.099 177.718 177.584 0.058 0.000 1.060 467 A CA 0.144 52.208 52.037 0.044 0.000 0.759 467 A CB 0.122 19.138 19.000 0.028 0.000 0.995 467 A HN 0.222 nan 8.150 nan 0.000 0.506 468 R N 0.472 121.002 120.500 0.050 0.000 2.583 468 R HA 0.206 4.548 4.340 0.004 0.000 0.268 468 R C 1.100 177.444 176.300 0.074 0.000 1.101 468 R CA -0.682 55.453 56.100 0.059 0.000 1.180 468 R CB 0.288 30.614 30.300 0.043 0.000 1.128 468 R HN 0.709 nan 8.270 nan 0.000 0.568 469 L N 1.779 123.058 121.223 0.093 0.000 2.201 469 L HA -0.157 4.186 4.340 0.004 0.000 0.212 469 L C 1.683 178.603 176.870 0.085 0.000 1.105 469 L CA 2.000 56.916 54.840 0.125 0.000 0.775 469 L CB -0.579 41.560 42.059 0.134 0.000 0.913 469 L HN 0.726 nan 8.230 nan 0.000 0.440 470 D N -1.094 119.340 120.400 0.056 0.000 2.219 470 D HA -0.233 4.410 4.640 0.004 0.000 0.205 470 D C 2.167 178.485 176.300 0.029 0.000 0.970 470 D CA 1.297 55.321 54.000 0.040 0.000 0.851 470 D CB -0.245 40.573 40.800 0.030 0.000 0.943 470 D HN 0.373 nan 8.370 nan 0.000 0.488 471 R N -0.253 120.264 120.500 0.028 0.000 2.057 471 R HA 0.220 4.562 4.340 0.004 0.000 0.224 471 R C 2.579 178.878 176.300 -0.003 0.000 1.136 471 R CA 0.582 56.690 56.100 0.012 0.000 0.968 471 R CB -0.229 30.079 30.300 0.013 0.000 0.863 471 R HN 0.139 nan 8.270 nan 0.000 0.433 472 I N 1.071 121.642 120.570 0.001 0.000 2.236 472 I HA -0.317 3.855 4.170 0.004 0.000 0.249 472 I C 1.542 177.634 176.117 -0.040 0.000 1.102 472 I CA 1.352 62.626 61.300 -0.042 0.000 1.365 472 I CB -0.100 37.867 38.000 -0.054 0.000 1.051 472 I HN 0.212 nan 8.210 nan 0.000 0.420 473 L N 0.518 121.748 121.223 0.011 0.000 2.672 473 L HA 0.052 4.395 4.340 0.004 0.000 0.236 473 L C 1.290 178.161 176.870 0.002 0.000 1.186 473 L CA 0.403 55.257 54.840 0.022 0.000 0.977 473 L CB -0.584 41.511 42.059 0.060 0.000 1.203 473 L HN 0.321 nan 8.230 nan 0.000 0.448 474 N N -1.382 117.308 118.700 -0.016 0.000 2.419 474 N HA 0.004 4.746 4.740 0.004 0.000 0.216 474 N C 0.589 176.074 175.510 -0.042 0.000 1.118 474 N CA -0.188 52.850 53.050 -0.021 0.000 0.850 474 N CB 0.596 39.075 38.487 -0.012 0.000 1.292 474 N HN 0.254 nan 8.380 nan 0.000 0.467 475 N N 2.131 120.794 118.700 -0.063 0.000 2.440 475 N HA -0.009 4.733 4.740 0.004 0.000 0.265 475 N C 0.042 175.483 175.510 -0.114 0.000 1.239 475 N CA 0.052 53.048 53.050 -0.089 0.000 0.909 475 N CB 0.623 39.040 38.487 -0.115 0.000 1.066 475 N HN 0.170 nan 8.380 nan 0.000 0.474 476 N N 3.561 122.203 118.700 -0.097 0.000 2.106 476 N HA -0.135 4.607 4.740 0.004 0.000 0.188 476 N C 0.900 176.326 175.510 -0.140 0.000 1.029 476 N CA 1.259 54.249 53.050 -0.099 0.000 0.848 476 N CB -0.160 38.286 38.487 -0.069 0.000 1.007 476 N HN 0.614 nan 8.380 nan 0.000 0.423 477 E N 0.393 120.503 120.200 -0.150 0.000 2.204 477 E HA -0.022 4.330 4.350 0.004 0.000 0.195 477 E C 1.722 178.142 176.600 -0.301 0.000 0.990 477 E CA 0.274 56.564 56.400 -0.184 0.000 0.821 477 E CB -0.164 29.446 29.700 -0.150 0.000 0.750 477 E HN 0.233 nan 8.360 nan 0.000 0.477 478 I N 0.539 120.902 120.570 -0.344 0.000 2.202 478 I HA -0.194 3.978 4.170 0.004 0.000 0.242 478 I C 1.950 177.812 176.117 -0.425 0.000 1.091 478 I CA 1.369 62.348 61.300 -0.534 0.000 1.368 478 I CB -0.789 36.934 38.000 -0.462 0.000 1.058 478 I HN 0.100 nan 8.210 nan 0.000 0.410 479 R N 0.210 120.561 120.500 -0.249 0.000 2.115 479 R HA -0.131 4.211 4.340 0.004 0.000 0.230 479 R C 2.091 178.289 176.300 -0.169 0.000 1.111 479 R CA 0.895 56.897 56.100 -0.163 0.000 0.976 479 R CB -0.269 29.974 30.300 -0.096 0.000 0.870 479 R HN 0.525 nan 8.270 nan 0.000 0.445 480 Q N 0.061 119.747 119.800 -0.189 0.000 2.245 480 Q HA -0.023 4.319 4.340 0.004 0.000 0.201 480 Q C 2.025 177.859 176.000 -0.277 0.000 0.955 480 Q CA 0.930 56.630 55.803 -0.172 0.000 0.870 480 Q CB 0.038 28.698 28.738 -0.128 0.000 0.945 480 Q HN 0.316 nan 8.270 nan 0.000 0.461 481 M N 0.355 119.705 119.600 -0.416 0.000 2.123 481 M HA -0.111 4.371 4.480 0.004 0.000 0.263 481 M C 1.861 177.560 176.300 -1.001 0.000 1.069 481 M CA 1.480 56.342 55.300 -0.730 0.000 1.133 481 M CB 0.129 32.321 32.600 -0.680 0.000 1.356 481 M HN 0.198 nan 8.290 nan 0.000 0.415 482 I N -0.493 119.776 120.570 -0.501 0.000 2.286 482 I HA -0.259 3.913 4.170 0.004 0.000 0.248 482 I C 1.990 178.069 176.117 -0.063 0.000 1.115 482 I CA 1.305 62.517 61.300 -0.146 0.000 1.392 482 I CB -0.609 37.413 38.000 0.037 0.000 1.065 482 I HN 0.334 nan 8.210 nan 0.000 0.418 483 T N 0.628 115.119 114.554 -0.104 0.000 2.851 483 T HA -0.010 4.342 4.350 0.004 0.000 0.262 483 T C 2.122 176.837 174.700 0.025 0.000 1.043 483 T CA 1.179 63.270 62.100 -0.015 0.000 1.140 483 T CB -0.219 68.633 68.868 -0.025 0.000 0.872 483 T HN 0.430 nan 8.240 nan 0.000 0.446 484 A N 1.779 124.563 122.820 -0.060 0.000 1.845 484 A HA -0.019 4.303 4.320 0.004 0.000 0.215 484 A C 1.921 179.714 177.584 0.349 0.000 1.195 484 A CA 1.414 53.502 52.037 0.085 0.000 0.616 484 A CB -1.036 17.938 19.000 -0.043 0.000 0.832 484 A HN 0.375 nan 8.150 nan 0.000 0.443 485 F N -0.593 119.504 119.950 0.246 0.000 2.025 485 F HA 0.071 4.600 4.527 0.004 0.000 0.297 485 F C 2.497 178.448 175.800 0.251 0.000 1.132 485 F CA 1.082 59.266 58.000 0.305 0.000 1.191 485 F CB -1.528 37.659 39.000 0.311 0.000 0.963 485 F HN 0.515 nan 8.300 nan 0.000 0.481 486 G N -1.332 107.698 108.800 0.382 0.000 2.195 486 G HA2 -0.358 3.604 3.960 0.004 0.000 0.246 486 G HA3 -0.358 3.604 3.960 0.004 0.000 0.246 486 G C 1.210 176.246 174.900 0.227 0.000 0.984 486 G CA 1.309 46.554 45.100 0.242 0.000 0.633 486 G HN 0.635 nan 8.290 nan 0.000 0.525 487 T N -1.077 113.659 114.554 0.304 0.000 2.720 487 T HA 0.350 4.702 4.350 0.004 0.000 0.268 487 T C 2.275 177.090 174.700 0.191 0.000 1.037 487 T CA 2.153 64.368 62.100 0.192 0.000 1.144 487 T CB -0.234 68.753 68.868 0.199 0.000 0.864 487 T HN 2.573 nan 8.240 nan 0.000 0.444 488 G N 1.133 110.115 108.800 0.303 0.000 2.566 488 G HA2 0.152 4.114 3.960 0.004 0.000 0.599 488 G HA3 0.152 4.114 3.960 0.004 0.000 0.599 488 G C -0.854 174.287 174.900 0.402 0.000 1.292 488 G CA -0.558 44.708 45.100 0.276 0.000 0.922 488 G HN 1.269 nan 8.290 nan 0.000 0.514 489 I N -1.885 118.861 120.570 0.295 0.000 2.686 489 I HA 0.778 4.950 4.170 0.004 0.000 0.295 489 I C 0.974 177.158 176.117 0.111 0.000 1.114 489 I CA -0.310 61.133 61.300 0.238 0.000 1.038 489 I CB 1.290 39.457 38.000 0.277 0.000 1.238 489 I HN 2.567 nan 8.210 nan 0.000 0.420 490 G N 4.140 112.923 108.800 -0.029 0.000 2.588 490 G HA2 -0.256 3.706 3.960 0.004 0.000 0.273 490 G HA3 -0.256 3.706 3.960 0.004 0.000 0.273 490 G C 0.706 175.592 174.900 -0.024 0.000 1.211 490 G CA 0.448 45.468 45.100 -0.134 0.000 0.958 490 G HN 1.232 nan 8.290 nan 0.000 0.543 491 G N -0.178 108.608 108.800 -0.024 0.000 2.403 491 G HA2 0.143 4.105 3.960 0.004 0.000 0.216 491 G HA3 0.143 4.105 3.960 0.004 0.000 0.216 491 G C 1.046 175.972 174.900 0.044 0.000 1.154 491 G CA 1.695 46.796 45.100 0.001 0.000 0.784 491 G HN 0.637 nan 8.290 nan 0.000 0.538 492 D N 0.014 120.449 120.400 0.060 0.000 2.338 492 D HA 0.002 4.644 4.640 0.004 0.000 0.239 492 D C 0.327 176.696 176.300 0.115 0.000 1.095 492 D CA -0.436 53.605 54.000 0.069 0.000 0.888 492 D CB -0.302 40.536 40.800 0.064 0.000 0.899 492 D HN 0.216 nan 8.370 nan 0.000 0.525 493 F N 2.460 122.403 119.950 -0.011 0.000 2.574 493 F HA 0.023 4.552 4.527 0.004 0.000 0.332 493 F C 0.241 176.034 175.800 -0.011 0.000 1.289 493 F CA -0.904 57.094 58.000 -0.002 0.000 1.029 493 F CB -0.311 38.668 39.000 -0.035 0.000 1.346 493 F HN -0.300 nan 8.300 nan 0.000 0.647 494 D N 5.156 125.422 120.400 -0.222 0.000 2.393 494 D HA 0.033 4.676 4.640 0.004 0.000 0.232 494 D C 1.046 177.092 176.300 -0.424 0.000 1.192 494 D CA -0.114 53.731 54.000 -0.258 0.000 0.882 494 D CB 0.735 41.473 40.800 -0.104 0.000 1.038 494 D HN 0.576 nan 8.370 nan 0.000 0.499 495 L N 4.036 124.930 121.223 -0.548 0.000 2.265 495 L HA 0.007 4.349 4.340 0.004 0.000 0.215 495 L C 1.789 178.517 176.870 -0.236 0.000 1.117 495 L CA 1.517 56.039 54.840 -0.530 0.000 0.782 495 L CB -0.038 41.734 42.059 -0.479 0.000 0.914 495 L HN 0.517 nan 8.230 nan 0.000 0.441 496 A N -2.075 120.654 122.820 -0.151 0.000 2.308 496 A HA 0.077 4.399 4.320 0.004 0.000 0.217 496 A C 1.910 179.485 177.584 -0.014 0.000 1.216 496 A CA 0.037 52.044 52.037 -0.049 0.000 0.864 496 A CB -0.256 18.722 19.000 -0.037 0.000 0.902 496 A HN 0.309 nan 8.150 nan 0.000 0.499 497 K N 0.289 120.673 120.400 -0.028 0.000 2.374 497 K HA 0.270 4.593 4.320 0.004 0.000 0.196 497 K C 0.569 177.210 176.600 0.068 0.000 1.023 497 K CA 0.276 56.574 56.287 0.019 0.000 1.103 497 K CB 0.256 32.769 32.500 0.020 0.000 0.848 497 K HN 0.428 nan 8.250 nan 0.000 0.528 498 A N 1.669 124.535 122.820 0.076 0.000 2.524 498 A HA 0.023 4.345 4.320 0.004 0.000 0.250 498 A C 0.749 178.428 177.584 0.158 0.000 1.078 498 A CA 0.067 52.199 52.037 0.158 0.000 0.761 498 A CB 0.177 19.267 19.000 0.150 0.000 1.012 498 A HN 0.268 nan 8.150 nan 0.000 0.500 499 R N 0.790 121.403 120.500 0.188 0.000 2.310 499 R HA 0.112 4.454 4.340 0.004 0.000 0.202 499 R C -1.143 174.949 176.300 -0.348 0.000 0.933 499 R CA 0.612 56.680 56.100 -0.053 0.000 1.054 499 R CB 0.039 30.305 30.300 -0.057 0.000 0.985 499 R HN 0.751 nan 8.270 nan 0.000 0.489 500 Y N -1.449 118.939 120.300 0.146 0.000 2.399 500 Y HA 0.233 4.785 4.550 0.004 0.000 0.327 500 Y C 0.752 176.733 175.900 0.133 0.000 1.111 500 Y CA -0.862 57.301 58.100 0.105 0.000 1.047 500 Y CB 1.092 39.601 38.460 0.082 0.000 1.259 500 Y HN -0.064 nan 8.280 nan 0.000 0.434 501 H N 1.226 120.304 119.070 0.013 0.000 2.470 501 H HA 0.096 4.654 4.556 0.004 0.000 0.289 501 H C -0.243 174.967 175.328 -0.197 0.000 1.033 501 H CA 0.716 56.628 56.048 -0.227 0.000 1.331 501 H CB 0.676 30.216 29.762 -0.370 0.000 1.414 501 H HN 0.378 nan 8.280 nan 0.000 0.545 502 K N 1.327 121.770 120.400 0.071 0.000 2.307 502 K HA 0.330 4.652 4.320 0.004 0.000 0.263 502 K C -1.189 175.400 176.600 -0.017 0.000 0.973 502 K CA -0.534 55.802 56.287 0.081 0.000 0.846 502 K CB 2.195 34.597 32.500 -0.164 0.000 1.100 502 K HN -0.041 nan 8.250 nan 0.000 0.438 503 I N 3.266 123.847 120.570 0.018 0.000 2.428 503 I HA 0.153 4.325 4.170 0.004 0.000 0.279 503 I C -0.831 175.259 176.117 -0.046 0.000 1.040 503 I CA -0.626 60.595 61.300 -0.133 0.000 1.171 503 I CB 1.475 39.256 38.000 -0.364 0.000 1.312 503 I HN 0.188 nan 8.210 nan 0.000 0.470 504 V N 6.717 126.552 119.914 -0.131 0.000 2.328 504 V HA 0.390 4.512 4.120 0.004 0.000 0.278 504 V C 0.438 176.650 176.094 0.197 0.000 1.021 504 V CA -0.595 61.701 62.300 -0.006 0.000 0.838 504 V CB 1.310 33.010 31.823 -0.206 0.000 0.999 504 V HN 0.450 nan 8.190 nan 0.000 0.447 505 I N 5.139 125.842 120.570 0.221 0.000 2.389 505 I HA 0.243 4.415 4.170 0.004 0.000 0.295 505 I C 0.398 176.646 176.117 0.220 0.000 1.117 505 I CA 0.273 61.719 61.300 0.243 0.000 1.317 505 I CB 0.185 38.322 38.000 0.229 0.000 1.431 505 I HN 0.570 nan 8.210 nan 0.000 0.521 506 M N 7.405 127.142 119.600 0.229 0.000 2.497 506 M HA 0.143 4.626 4.480 0.004 0.000 0.336 506 M C 0.411 176.753 176.300 0.070 0.000 1.378 506 M CA -0.076 55.298 55.300 0.124 0.000 1.375 506 M CB 0.240 32.867 32.600 0.046 0.000 1.337 506 M HN 0.748 nan 8.290 nan 0.000 0.461 507 T N 0.460 115.053 114.554 0.065 0.000 2.944 507 T HA 0.521 4.873 4.350 0.004 0.000 0.284 507 T C -0.586 174.125 174.700 0.018 0.000 1.010 507 T CA -0.990 61.133 62.100 0.038 0.000 1.025 507 T CB 1.089 69.987 68.868 0.050 0.000 1.079 507 T HN 0.597 nan 8.240 nan 0.000 0.516 508 D N 1.102 121.503 120.400 0.003 0.000 2.210 508 D HA 0.460 5.102 4.640 0.004 0.000 0.249 508 D C 0.025 176.331 176.300 0.009 0.000 1.062 508 D CA -0.841 53.155 54.000 -0.006 0.000 0.891 508 D CB 0.836 41.618 40.800 -0.030 0.000 1.186 508 D HN 0.747 nan 8.370 nan 0.000 0.432 509 A N 2.537 125.362 122.820 0.009 0.000 3.051 509 A HA 0.308 4.630 4.320 0.004 0.000 0.275 509 A C -0.288 177.305 177.584 0.016 0.000 1.900 509 A CA -0.318 51.728 52.037 0.015 0.000 1.496 509 A CB -1.045 17.963 19.000 0.014 0.000 1.013 509 A HN 0.628 nan 8.150 nan 0.000 0.611 510 D N -0.950 119.462 120.400 0.020 0.000 2.758 510 D HA 0.253 4.895 4.640 0.004 0.000 0.279 510 D C 1.156 177.473 176.300 0.029 0.000 1.111 510 D CA 0.114 54.127 54.000 0.022 0.000 1.109 510 D CB 0.449 41.263 40.800 0.022 0.000 1.428 510 D HN 0.400 nan 8.370 nan 0.000 0.586 511 V N -1.477 118.453 119.914 0.027 0.000 2.407 511 V HA -0.160 3.962 4.120 0.004 0.000 0.248 511 V C 1.237 177.366 176.094 0.059 0.000 1.055 511 V CA 2.030 64.350 62.300 0.033 0.000 1.049 511 V CB -0.675 31.158 31.823 0.017 0.000 0.662 511 V HN 0.446 nan 8.190 nan 0.000 0.455 512 D N 1.470 121.902 120.400 0.053 0.000 2.097 512 D HA -0.073 4.569 4.640 0.004 0.000 0.197 512 D C 2.278 178.637 176.300 0.098 0.000 0.984 512 D CA 1.856 55.904 54.000 0.079 0.000 0.826 512 D CB -0.537 40.294 40.800 0.051 0.000 0.973 512 D HN 0.596 nan 8.370 nan 0.000 0.460 513 G N 1.425 110.262 108.800 0.061 0.000 2.476 513 G HA2 -0.271 3.691 3.960 0.004 0.000 0.218 513 G HA3 -0.271 3.691 3.960 0.004 0.000 0.218 513 G C 1.780 176.716 174.900 0.059 0.000 1.164 513 G CA 1.508 46.638 45.100 0.050 0.000 0.768 513 G HN 0.374 nan 8.290 nan 0.000 0.560 514 A N 0.088 122.944 122.820 0.061 0.000 1.917 514 A HA -0.214 4.108 4.320 0.004 0.000 0.219 514 A C 2.158 179.784 177.584 0.069 0.000 1.182 514 A CA 2.041 54.113 52.037 0.058 0.000 0.633 514 A CB -0.902 18.129 19.000 0.053 0.000 0.819 514 A HN 0.596 nan 8.150 nan 0.000 0.448 515 H N 0.211 119.289 119.070 0.014 0.000 2.389 515 H HA -0.025 4.533 4.556 0.004 0.000 0.299 515 H C 1.627 176.968 175.328 0.022 0.000 1.081 515 H CA 1.715 57.771 56.048 0.014 0.000 1.345 515 H CB -0.087 29.681 29.762 0.010 0.000 1.393 515 H HN 0.513 nan 8.280 nan 0.000 0.520 516 I N 0.125 120.667 120.570 -0.047 0.000 3.564 516 I HA -0.054 4.118 4.170 0.004 0.000 0.294 516 I C 2.477 178.573 176.117 -0.036 0.000 1.289 516 I CA 0.257 61.510 61.300 -0.078 0.000 1.325 516 I CB -0.232 37.776 38.000 0.014 0.000 1.039 516 I HN 0.081 nan 8.210 nan 0.000 0.474 517 R N 1.472 121.965 120.500 -0.012 0.000 2.052 517 R HA -0.100 4.243 4.340 0.004 0.000 0.224 517 R C 2.734 179.047 176.300 0.021 0.000 1.149 517 R CA 2.030 58.152 56.100 0.038 0.000 0.962 517 R CB -0.346 29.980 30.300 0.045 0.000 0.856 517 R HN 0.449 nan 8.270 nan 0.000 0.433 518 T N -0.066 114.459 114.554 -0.049 0.000 2.665 518 T HA -0.206 4.146 4.350 0.004 0.000 0.268 518 T C 1.926 176.596 174.700 -0.049 0.000 1.035 518 T CA 1.540 63.587 62.100 -0.087 0.000 1.151 518 T CB -0.564 68.226 68.868 -0.130 0.000 0.862 518 T HN 0.135 nan 8.240 nan 0.000 0.438 519 L N 0.439 121.584 121.223 -0.130 0.000 1.924 519 L HA -0.067 4.275 4.340 0.004 0.000 0.222 519 L C 3.012 179.905 176.870 0.038 0.000 1.081 519 L CA 1.739 56.528 54.840 -0.086 0.000 0.780 519 L CB -0.805 41.137 42.059 -0.194 0.000 0.891 519 L HN 0.254 nan 8.230 nan 0.000 0.434 520 L N -0.401 120.833 121.223 0.018 0.000 2.034 520 L HA -0.321 4.021 4.340 0.004 0.000 0.217 520 L C 2.643 179.621 176.870 0.181 0.000 1.077 520 L CA 1.715 56.559 54.840 0.007 0.000 0.769 520 L CB -0.748 41.366 42.059 0.092 0.000 0.890 520 L HN 0.396 nan 8.230 nan 0.000 0.435 521 L N -0.662 120.784 121.223 0.372 0.000 1.990 521 L HA -0.286 4.056 4.340 0.004 0.000 0.213 521 L C 2.582 179.793 176.870 0.568 0.000 1.072 521 L CA 2.078 57.247 54.840 0.549 0.000 0.755 521 L CB -1.046 41.269 42.059 0.428 0.000 0.889 521 L HN 0.308 nan 8.230 nan 0.000 0.432 522 T N -0.229 114.700 114.554 0.626 0.000 2.778 522 T HA -0.271 4.081 4.350 0.004 0.000 0.269 522 T C 1.496 176.362 174.700 0.276 0.000 1.050 522 T CA 1.879 64.356 62.100 0.628 0.000 1.137 522 T CB -0.430 68.716 68.868 0.463 0.000 0.860 522 T HN 0.337 nan 8.240 nan 0.000 0.468 523 F N 0.824 120.785 119.950 0.019 0.000 2.128 523 F HA 0.060 4.590 4.527 0.004 0.000 0.295 523 F C 1.785 177.558 175.800 -0.046 0.000 1.100 523 F CA 0.920 58.829 58.000 -0.152 0.000 1.260 523 F CB -0.570 38.188 39.000 -0.404 0.000 1.009 523 F HN 0.138 nan 8.300 nan 0.000 0.476 524 F N -1.089 118.933 119.950 0.119 0.000 2.134 524 F HA -0.241 4.288 4.527 0.004 0.000 0.299 524 F C 2.327 177.994 175.800 -0.222 0.000 1.097 524 F CA 1.540 59.511 58.000 -0.049 0.000 1.264 524 F CB -0.809 38.282 39.000 0.152 0.000 1.001 524 F HN 0.090 nan 8.300 nan 0.000 0.479 525 Y N 0.683 120.893 120.300 -0.150 0.000 2.373 525 Y HA -0.067 4.485 4.550 0.004 0.000 0.293 525 Y C 2.187 177.841 175.900 -0.411 0.000 1.129 525 Y CA 1.114 58.953 58.100 -0.436 0.000 1.226 525 Y CB -0.103 37.693 38.460 -1.106 0.000 1.000 525 Y HN -0.219 nan 8.280 nan 0.000 0.549 526 R N -1.337 119.007 120.500 -0.259 0.000 2.173 526 R HA 0.056 4.398 4.340 0.004 0.000 0.208 526 R C 0.883 176.959 176.300 -0.374 0.000 1.035 526 R CA 0.766 56.727 56.100 -0.232 0.000 1.004 526 R CB -0.427 29.953 30.300 0.133 0.000 0.917 526 R HN 0.376 nan 8.270 nan 0.000 0.462 527 F N -1.341 118.245 119.950 -0.607 0.000 2.789 527 F HA 0.349 4.878 4.527 0.004 0.000 0.320 527 F C 0.665 176.025 175.800 -0.732 0.000 1.079 527 F CA 0.148 57.770 58.000 -0.630 0.000 1.205 527 F CB 0.498 39.015 39.000 -0.804 0.000 1.046 527 F HN -0.231 nan 8.300 nan 0.000 0.586 528 M N 0.405 119.620 119.600 -0.642 0.000 3.951 528 M HA 0.245 4.727 4.480 0.004 0.000 0.444 528 M C 0.968 176.830 176.300 -0.730 0.000 1.957 528 M CA 0.022 54.659 55.300 -1.106 0.000 0.521 528 M CB 0.772 33.017 32.600 -0.591 0.000 1.436 528 M HN -0.033 nan 8.290 nan 0.000 0.525 529 R N -0.951 119.180 120.500 -0.615 0.000 2.275 529 R HA 0.190 4.533 4.340 0.004 0.000 0.199 529 R C -1.387 174.775 176.300 -0.231 0.000 0.989 529 R CA 0.294 56.156 56.100 -0.397 0.000 1.016 529 R CB -1.055 28.891 30.300 -0.590 0.000 0.918 529 R HN 0.188 nan 8.270 nan 0.000 0.473 530 P HA -0.074 nan 4.420 nan 0.000 0.220 530 P C 1.396 178.767 177.300 0.117 0.000 1.152 530 P CA 0.385 63.532 63.100 0.078 0.000 0.812 530 P CB 0.030 31.900 31.700 0.284 0.000 0.792 531 L N 0.099 121.499 121.223 0.294 0.000 2.051 531 L HA -0.183 4.159 4.340 0.004 0.000 0.214 531 L C 1.909 178.666 176.870 -0.187 0.000 1.076 531 L CA 1.980 56.862 54.840 0.070 0.000 0.758 531 L CB -1.480 40.702 42.059 0.205 0.000 0.890 531 L HN -0.095 nan 8.230 nan 0.000 0.433 532 I N -0.445 120.038 120.570 -0.145 0.000 2.614 532 I HA -0.198 3.974 4.170 0.004 0.000 0.258 532 I C 2.331 178.370 176.117 -0.130 0.000 1.189 532 I CA 0.821 62.035 61.300 -0.143 0.000 1.462 532 I CB -0.385 37.579 38.000 -0.060 0.000 1.092 532 I HN 0.369 nan 8.210 nan 0.000 0.442 533 E N 1.196 121.323 120.200 -0.122 0.000 2.047 533 E HA -0.169 4.183 4.350 0.004 0.000 0.191 533 E C 2.347 178.868 176.600 -0.132 0.000 0.987 533 E CA 1.321 57.660 56.400 -0.103 0.000 0.799 533 E CB -0.227 29.421 29.700 -0.086 0.000 0.752 533 E HN 0.508 nan 8.360 nan 0.000 0.449 534 A N 0.916 123.594 122.820 -0.236 0.000 2.172 534 A HA 0.062 4.384 4.320 0.004 0.000 0.216 534 A C 1.721 179.241 177.584 -0.107 0.000 1.154 534 A CA 0.948 52.811 52.037 -0.290 0.000 0.701 534 A CB -0.762 17.730 19.000 -0.848 0.000 0.789 534 A HN 0.342 nan 8.150 nan 0.000 0.465 535 G N -1.440 107.260 108.800 -0.165 0.000 2.366 535 G HA2 -0.314 3.648 3.960 0.004 0.000 0.299 535 G HA3 -0.314 3.648 3.960 0.004 0.000 0.299 535 G C 0.337 175.102 174.900 -0.225 0.000 1.020 535 G CA 0.632 45.616 45.100 -0.194 0.000 1.026 535 G HN 0.712 nan 8.290 nan 0.000 0.512 536 Y N -1.565 118.479 120.300 -0.426 0.000 2.511 536 Y HA 0.214 4.766 4.550 0.004 0.000 0.279 536 Y C 1.478 177.065 175.900 -0.521 0.000 1.157 536 Y CA -0.292 57.581 58.100 -0.378 0.000 1.300 536 Y CB 0.735 39.071 38.460 -0.206 0.000 1.052 536 Y HN 0.228 nan 8.280 nan 0.000 0.529 537 V N 1.458 121.088 119.914 -0.473 0.000 2.383 537 V HA 0.126 4.248 4.120 0.004 0.000 0.275 537 V C -0.973 174.832 176.094 -0.481 0.000 1.036 537 V CA -0.571 61.480 62.300 -0.414 0.000 0.889 537 V CB -0.086 31.467 31.823 -0.449 0.000 0.985 537 V HN 0.025 nan 8.190 nan 0.000 0.459 538 Y N 4.372 124.626 120.300 -0.077 0.000 2.462 538 Y HA 0.662 5.214 4.550 0.004 0.000 0.346 538 Y C 0.011 175.912 175.900 0.002 0.000 0.976 538 Y CA -1.488 56.595 58.100 -0.029 0.000 1.044 538 Y CB 1.293 39.735 38.460 -0.031 0.000 1.230 538 Y HN 0.427 nan 8.280 nan 0.000 0.455 539 I N 2.841 123.514 120.570 0.171 0.000 2.315 539 I HA 0.596 4.769 4.170 0.004 0.000 0.291 539 I C 0.607 176.807 176.117 0.138 0.000 1.006 539 I CA -0.866 60.521 61.300 0.145 0.000 1.265 539 I CB 1.020 39.085 38.000 0.108 0.000 1.387 539 I HN 0.806 nan 8.210 nan 0.000 0.475 540 A N 6.120 129.030 122.820 0.150 0.000 2.364 540 A HA 0.260 4.582 4.320 0.004 0.000 0.258 540 A C 0.114 177.742 177.584 0.072 0.000 1.131 540 A CA 0.094 52.202 52.037 0.118 0.000 0.800 540 A CB 0.234 19.320 19.000 0.145 0.000 1.086 540 A HN 0.805 nan 8.150 nan 0.000 0.508 541 Q N -0.091 119.734 119.800 0.041 0.000 3.412 541 Q HA 0.280 4.622 4.340 0.004 0.000 0.219 541 Q C -2.713 173.290 176.000 0.004 0.000 0.913 541 Q CA -1.495 54.323 55.803 0.025 0.000 0.722 541 Q CB 1.486 30.238 28.738 0.024 0.000 1.385 541 Q HN 0.480 nan 8.270 nan 0.000 0.461 542 P HA 0.182 nan 4.420 nan 0.000 0.275 542 P C -2.405 174.891 177.300 -0.007 0.000 1.227 542 P CA -1.182 61.909 63.100 -0.015 0.000 0.781 542 P CB 0.028 31.715 31.700 -0.021 0.000 0.906 543 P HA 0.015 nan 4.420 nan 0.000 0.267 543 P C 0.398 177.700 177.300 0.003 0.000 1.200 543 P CA 0.031 63.130 63.100 -0.001 0.000 0.772 543 P CB 0.053 31.753 31.700 -0.000 0.000 0.855 582 G N 0.313 109.104 108.800 -0.014 0.000 2.519 582 G HA2 0.523 4.485 3.960 0.004 0.000 0.307 582 G HA3 0.523 4.485 3.960 0.004 0.000 0.307 582 G C 0.427 175.271 174.900 -0.093 0.000 1.266 582 G CA -0.335 44.736 45.100 -0.048 0.000 0.970 582 G HN 0.457 nan 8.290 nan 0.000 0.481 583 L N 1.442 122.594 121.223 -0.117 0.000 2.351 583 L HA -0.067 4.275 4.340 0.004 0.000 0.220 583 L C 2.518 179.276 176.870 -0.186 0.000 1.127 583 L CA 2.222 56.984 54.840 -0.130 0.000 0.786 583 L CB -0.984 41.003 42.059 -0.120 0.000 0.914 583 L HN 0.727 nan 8.230 nan 0.000 0.443 584 G N -1.195 107.416 108.800 -0.316 0.000 2.662 584 G HA2 -0.063 3.899 3.960 0.004 0.000 0.212 584 G HA3 -0.063 3.899 3.960 0.004 0.000 0.212 584 G C 1.549 176.328 174.900 -0.201 0.000 1.141 584 G CA 0.772 45.618 45.100 -0.424 0.000 0.797 584 G HN 0.475 nan 8.290 nan 0.000 0.531 585 E N 0.710 120.842 120.200 -0.113 0.000 2.158 585 E HA 0.303 4.655 4.350 0.004 0.000 0.191 585 E C 1.401 177.986 176.600 -0.025 0.000 0.982 585 E CA 0.232 56.623 56.400 -0.014 0.000 0.823 585 E CB -0.441 29.273 29.700 0.024 0.000 0.766 585 E HN 0.488 nan 8.360 nan 0.000 0.468 586 M N 2.541 122.120 119.600 -0.034 0.000 2.227 586 M HA 0.166 4.648 4.480 0.004 0.000 0.349 586 M C -0.575 175.724 176.300 -0.003 0.000 1.443 586 M CA -0.676 54.617 55.300 -0.012 0.000 1.110 586 M CB 0.418 33.011 32.600 -0.011 0.000 1.773 586 M HN 0.091 nan 8.290 nan 0.000 0.463 587 N N 2.216 120.931 118.700 0.025 0.000 2.151 587 N HA -0.108 4.635 4.740 0.004 0.000 0.265 587 N C 0.977 176.518 175.510 0.052 0.000 1.254 587 N CA 0.503 53.584 53.050 0.051 0.000 0.823 587 N CB 0.353 38.885 38.487 0.076 0.000 1.061 587 N HN 0.839 nan 8.380 nan 0.000 0.472 588 A N 2.774 125.623 122.820 0.048 0.000 1.958 588 A HA -0.279 4.043 4.320 0.004 0.000 0.221 588 A C 1.690 179.336 177.584 0.103 0.000 1.178 588 A CA 2.102 54.169 52.037 0.051 0.000 0.642 588 A CB -0.436 18.581 19.000 0.029 0.000 0.816 588 A HN 0.876 nan 8.150 nan 0.000 0.453 589 D N -0.827 119.634 120.400 0.101 0.000 2.083 589 D HA -0.248 4.394 4.640 0.004 0.000 0.199 589 D C 1.864 178.289 176.300 0.208 0.000 0.980 589 D CA 1.453 55.548 54.000 0.157 0.000 0.851 589 D CB -1.043 39.822 40.800 0.109 0.000 0.997 589 D HN 0.583 nan 8.370 nan 0.000 0.449 590 Q N 0.096 119.975 119.800 0.131 0.000 2.207 590 Q HA -0.229 4.113 4.340 0.004 0.000 0.215 590 Q C 2.417 178.465 176.000 0.080 0.000 1.006 590 Q CA 1.520 57.381 55.803 0.096 0.000 0.903 590 Q CB -0.275 28.500 28.738 0.063 0.000 0.947 590 Q HN 0.293 nan 8.270 nan 0.000 0.414 591 L N 0.371 121.642 121.223 0.081 0.000 1.950 591 L HA -0.197 4.145 4.340 0.004 0.000 0.210 591 L C 2.022 178.927 176.870 0.059 0.000 1.079 591 L CA 1.907 56.773 54.840 0.044 0.000 0.754 591 L CB -1.007 41.069 42.059 0.029 0.000 0.889 591 L HN 0.531 nan 8.230 nan 0.000 0.433 592 W N 0.941 122.209 121.300 -0.054 0.000 2.297 592 W HA -0.395 4.267 4.660 0.004 0.000 0.343 592 W C 2.032 178.541 176.519 -0.018 0.000 1.393 592 W CA 2.313 59.627 57.345 -0.052 0.000 1.240 592 W CB -0.881 28.559 29.460 -0.032 0.000 1.092 592 W HN 0.332 nan 8.180 nan 0.000 0.476 593 E N -0.075 119.904 120.200 -0.368 0.000 2.081 593 E HA -0.300 4.052 4.350 0.004 0.000 0.235 593 E C 2.012 178.417 176.600 -0.325 0.000 1.043 593 E CA 3.407 59.555 56.400 -0.419 0.000 0.924 593 E CB -1.455 28.259 29.700 0.023 0.000 0.821 593 E HN 0.518 nan 8.360 nan 0.000 0.517 594 T N -1.201 113.272 114.554 -0.134 0.000 2.918 594 T HA -0.131 4.221 4.350 0.004 0.000 0.271 594 T C 1.686 176.310 174.700 -0.127 0.000 1.104 594 T CA 1.880 63.924 62.100 -0.093 0.000 1.114 594 T CB -0.253 68.589 68.868 -0.044 0.000 0.855 594 T HN 0.083 nan 8.240 nan 0.000 0.518 595 T N 0.856 115.291 114.554 -0.199 0.000 3.311 595 T HA 0.353 4.705 4.350 0.004 0.000 0.239 595 T C 1.441 175.996 174.700 -0.242 0.000 0.976 595 T CA -0.006 61.988 62.100 -0.177 0.000 1.283 595 T CB 0.017 68.800 68.868 -0.141 0.000 1.113 595 T HN 0.273 nan 8.240 nan 0.000 0.392 596 M N 1.682 121.057 119.600 -0.375 0.000 2.419 596 M HA 0.291 4.773 4.480 0.004 0.000 0.252 596 M C 0.461 176.270 176.300 -0.818 0.000 1.143 596 M CA -0.013 55.076 55.300 -0.352 0.000 0.985 596 M CB 0.023 32.520 32.600 -0.172 0.000 1.489 596 M HN 0.119 nan 8.290 nan 0.000 0.484 597 N N 3.402 121.364 118.700 -1.231 0.000 2.439 597 N HA 0.134 4.876 4.740 0.004 0.000 0.243 597 N C -1.837 173.366 175.510 -0.513 0.000 1.088 597 N CA -1.457 50.855 53.050 -1.229 0.000 0.940 597 N CB 1.141 38.930 38.487 -1.164 0.000 1.180 597 N HN -0.020 nan 8.380 nan 0.000 0.505 598 P HA -0.144 nan 4.420 nan 0.000 0.229 598 P C 0.227 177.401 177.300 -0.210 0.000 1.150 598 P CA 1.156 64.142 63.100 -0.189 0.000 0.765 598 P CB 0.346 31.983 31.700 -0.105 0.000 0.783 599 E N -0.477 119.531 120.200 -0.319 0.000 2.075 599 E HA -0.099 4.253 4.350 0.004 0.000 0.190 599 E C 0.978 177.304 176.600 -0.457 0.000 0.969 599 E CA 0.955 57.097 56.400 -0.429 0.000 0.815 599 E CB -0.414 28.933 29.700 -0.588 0.000 0.776 599 E HN 0.602 nan 8.360 nan 0.000 0.457 600 H N 0.120 119.135 119.070 -0.092 0.000 2.784 600 H HA 0.174 4.732 4.556 0.004 0.000 0.273 600 H C 0.210 175.484 175.328 -0.089 0.000 1.112 600 H CA -0.496 55.507 56.048 -0.075 0.000 1.162 600 H CB 0.204 29.928 29.762 -0.063 0.000 1.586 600 H HN -0.019 nan 8.280 nan 0.000 0.548 601 R N 1.378 121.837 120.500 -0.068 0.000 2.641 601 R HA 0.542 4.884 4.340 0.004 0.000 0.269 601 R C -0.432 175.845 176.300 -0.037 0.000 1.074 601 R CA -0.291 55.762 56.100 -0.078 0.000 1.133 601 R CB 0.686 30.903 30.300 -0.139 0.000 1.029 601 R HN 0.082 nan 8.270 nan 0.000 0.488 602 A N 5.259 128.068 122.820 -0.019 0.000 2.736 602 A HA 0.327 4.649 4.320 0.004 0.000 0.335 602 A C -0.453 177.144 177.584 0.022 0.000 1.446 602 A CA -0.796 51.244 52.037 0.004 0.000 1.028 602 A CB 0.111 19.117 19.000 0.011 0.000 1.154 602 A HN 0.668 nan 8.150 nan 0.000 0.507 603 L N 3.886 125.123 121.223 0.024 0.000 2.301 603 L HA 0.330 4.672 4.340 0.004 0.000 0.278 603 L C -0.631 176.312 176.870 0.121 0.000 1.022 603 L CA -0.361 54.513 54.840 0.057 0.000 0.854 603 L CB 1.219 43.264 42.059 -0.022 0.000 1.226 603 L HN 0.552 nan 8.230 nan 0.000 0.429 604 L N 4.086 125.388 121.223 0.132 0.000 2.325 604 L HA 0.238 4.580 4.340 0.004 0.000 0.284 604 L C 0.503 177.467 176.870 0.158 0.000 1.089 604 L CA -0.032 54.882 54.840 0.123 0.000 0.836 604 L CB 0.775 42.880 42.059 0.077 0.000 1.184 604 L HN 0.638 nan 8.230 nan 0.000 0.444 605 Q N 2.613 122.510 119.800 0.162 0.000 2.286 605 Q HA 0.180 4.522 4.340 0.004 0.000 0.267 605 Q C -0.710 175.248 176.000 -0.071 0.000 1.028 605 Q CA -0.489 55.305 55.803 -0.016 0.000 0.901 605 Q CB 1.184 29.921 28.738 -0.002 0.000 1.183 605 Q HN 0.459 nan 8.270 nan 0.000 0.392 606 V N 5.865 125.698 119.914 -0.136 0.000 2.439 606 V HA 0.112 4.234 4.120 0.004 0.000 0.271 606 V C 0.262 176.320 176.094 -0.060 0.000 1.040 606 V CA 0.011 62.271 62.300 -0.068 0.000 1.002 606 V CB 0.504 32.295 31.823 -0.054 0.000 1.000 606 V HN 0.623 nan 8.190 nan 0.000 0.477 607 K N 3.789 124.175 120.400 -0.023 0.000 2.139 607 K HA 0.705 5.027 4.320 0.004 0.000 0.243 607 K C -0.825 175.777 176.600 0.002 0.000 0.983 607 K CA -0.948 55.329 56.287 -0.015 0.000 0.890 607 K CB 2.314 34.810 32.500 -0.006 0.000 1.090 607 K HN 0.508 nan 8.250 nan 0.000 0.445 608 L N 1.470 122.695 121.223 0.003 0.000 2.376 608 L HA 0.308 4.650 4.340 0.004 0.000 0.275 608 L C 0.423 177.301 176.870 0.015 0.000 0.987 608 L CA 0.255 55.106 54.840 0.018 0.000 0.828 608 L CB 1.346 43.409 42.059 0.007 0.000 1.249 608 L HN 0.542 nan 8.230 nan 0.000 0.409 609 E N 1.708 121.922 120.200 0.023 0.000 2.592 609 E HA 0.171 4.523 4.350 0.004 0.000 0.184 609 E C -0.735 175.876 176.600 0.017 0.000 1.056 609 E CA 0.068 56.476 56.400 0.015 0.000 1.151 609 E CB 0.399 30.105 29.700 0.010 0.000 1.435 609 E HN 0.687 nan 8.360 nan 0.000 0.496 610 D N -0.553 119.862 120.400 0.024 0.000 2.350 610 D HA 0.396 5.039 4.640 0.004 0.000 0.245 610 D C 0.052 176.379 176.300 0.045 0.000 1.036 610 D CA -0.177 53.837 54.000 0.024 0.000 0.848 610 D CB 2.158 42.968 40.800 0.016 0.000 1.307 610 D HN 0.044 nan 8.370 nan 0.000 0.469 611 A N 3.869 126.712 122.820 0.038 0.000 1.984 611 A HA 0.028 4.350 4.320 0.004 0.000 0.214 611 A C 1.928 179.554 177.584 0.070 0.000 1.173 611 A CA 0.392 52.462 52.037 0.054 0.000 0.673 611 A CB -0.154 18.853 19.000 0.012 0.000 0.830 611 A HN 0.594 nan 8.150 nan 0.000 0.453 612 I N 0.149 120.744 120.570 0.041 0.000 2.206 612 I HA -0.112 4.060 4.170 0.004 0.000 0.239 612 I C 2.256 178.398 176.117 0.042 0.000 1.078 612 I CA 1.370 62.691 61.300 0.034 0.000 1.367 612 I CB -1.225 36.783 38.000 0.014 0.000 1.078 612 I HN 0.502 nan 8.210 nan 0.000 0.413 613 E N 0.832 121.049 120.200 0.028 0.000 2.463 613 E HA -0.157 4.195 4.350 0.004 0.000 0.201 613 E C 1.798 178.416 176.600 0.029 0.000 1.045 613 E CA 0.917 57.325 56.400 0.014 0.000 0.872 613 E CB 0.261 29.960 29.700 -0.001 0.000 0.797 613 E HN 0.435 nan 8.360 nan 0.000 0.538 614 A N 0.274 123.141 122.820 0.078 0.000 2.115 614 A HA 0.002 4.324 4.320 0.004 0.000 0.211 614 A C 1.489 179.215 177.584 0.236 0.000 1.169 614 A CA 0.402 52.511 52.037 0.119 0.000 0.787 614 A CB 0.220 19.323 19.000 0.170 0.000 0.858 614 A HN 0.103 nan 8.150 nan 0.000 0.474 615 D N -0.099 120.442 120.400 0.235 0.000 2.234 615 D HA -0.044 4.598 4.640 0.004 0.000 0.205 615 D C 2.132 178.527 176.300 0.158 0.000 0.962 615 D CA 0.901 55.047 54.000 0.242 0.000 0.855 615 D CB -0.027 40.844 40.800 0.119 0.000 0.951 615 D HN 0.583 nan 8.370 nan 0.000 0.500 616 Q N -0.304 119.548 119.800 0.087 0.000 1.994 616 Q HA -0.058 4.284 4.340 0.004 0.000 0.198 616 Q C 2.129 178.132 176.000 0.005 0.000 0.976 616 Q CA 1.231 57.054 55.803 0.034 0.000 0.828 616 Q CB -0.344 28.392 28.738 -0.002 0.000 0.894 616 Q HN 0.094 nan 8.270 nan 0.000 0.432 617 T N 0.921 115.454 114.554 -0.034 0.000 2.597 617 T HA -0.195 4.157 4.350 0.004 0.000 0.267 617 T C 1.242 175.861 174.700 -0.136 0.000 1.053 617 T CA 1.430 63.443 62.100 -0.146 0.000 1.165 617 T CB -0.405 68.352 68.868 -0.186 0.000 0.863 617 T HN 0.170 nan 8.240 nan 0.000 0.427 618 F N 1.529 121.383 119.950 -0.161 0.000 2.664 618 F HA 0.067 4.596 4.527 0.004 0.000 0.297 618 F C 2.416 178.205 175.800 -0.018 0.000 1.164 618 F CA 1.085 59.018 58.000 -0.111 0.000 1.472 618 F CB -0.225 38.694 39.000 -0.136 0.000 1.108 618 F HN 0.357 nan 8.300 nan 0.000 0.596 619 E N -0.051 120.223 120.200 0.123 0.000 2.290 619 E HA 0.033 4.385 4.350 0.004 0.000 0.199 619 E C 1.875 178.497 176.600 0.035 0.000 0.912 619 E CA 0.580 57.035 56.400 0.092 0.000 0.924 619 E CB -0.570 29.179 29.700 0.081 0.000 0.901 619 E HN 0.420 nan 8.360 nan 0.000 0.487 620 M N 0.167 119.757 119.600 -0.017 0.000 2.419 620 M HA 0.158 4.640 4.480 0.004 0.000 0.264 620 M C 1.769 178.057 176.300 -0.021 0.000 1.082 620 M CA 1.001 56.283 55.300 -0.030 0.000 1.119 620 M CB -0.177 32.375 32.600 -0.080 0.000 1.398 620 M HN 0.289 nan 8.290 nan 0.000 0.453 621 L N 0.361 121.549 121.223 -0.059 0.000 2.068 621 L HA -0.042 4.300 4.340 0.004 0.000 0.204 621 L C 1.820 178.707 176.870 0.029 0.000 1.076 621 L CA 0.688 55.517 54.840 -0.020 0.000 0.753 621 L CB -0.414 41.574 42.059 -0.118 0.000 0.910 621 L HN 0.381 nan 8.230 nan 0.000 0.439 622 M N -0.337 119.283 119.600 0.034 0.000 2.346 622 M HA 0.328 4.810 4.480 0.004 0.000 0.280 622 M C 0.729 177.076 176.300 0.078 0.000 1.075 622 M CA -0.036 55.305 55.300 0.069 0.000 0.989 622 M CB -0.582 32.074 32.600 0.094 0.000 1.447 622 M HN -0.018 nan 8.290 nan 0.000 0.511 623 G N 1.631 110.470 108.800 0.066 0.000 2.420 623 G HA2 0.355 4.318 3.960 0.004 0.000 0.284 623 G HA3 0.355 4.318 3.960 0.004 0.000 0.284 623 G C 0.158 175.090 174.900 0.053 0.000 1.177 623 G CA -0.431 44.707 45.100 0.062 0.000 0.841 623 G HN 0.398 nan 8.290 nan 0.000 0.527 624 D N 0.023 120.452 120.400 0.049 0.000 2.338 624 D HA -0.089 4.553 4.640 0.004 0.000 0.239 624 D C 0.755 177.077 176.300 0.037 0.000 1.095 624 D CA -0.123 53.903 54.000 0.043 0.000 0.888 624 D CB -0.036 40.787 40.800 0.039 0.000 0.899 624 D HN 0.050 nan 8.370 nan 0.000 0.525 625 V N 1.668 121.604 119.914 0.037 0.000 2.299 625 V HA 0.014 4.136 4.120 0.004 0.000 0.255 625 V C 1.714 177.832 176.094 0.039 0.000 1.100 625 V CA -0.488 61.833 62.300 0.034 0.000 0.938 625 V CB 0.780 32.622 31.823 0.031 0.000 1.139 625 V HN -0.031 nan 8.190 nan 0.000 0.490 626 V N 3.279 123.215 119.914 0.037 0.000 2.278 626 V HA -0.282 3.840 4.120 0.004 0.000 0.251 626 V C 2.553 178.672 176.094 0.043 0.000 1.062 626 V CA 2.578 64.901 62.300 0.039 0.000 1.038 626 V CB -0.404 31.438 31.823 0.031 0.000 0.646 626 V HN 0.951 nan 8.190 nan 0.000 0.447 627 E N 1.007 121.229 120.200 0.037 0.000 2.153 627 E HA -0.207 4.145 4.350 0.004 0.000 0.194 627 E C 1.822 178.451 176.600 0.048 0.000 0.988 627 E CA 1.554 57.976 56.400 0.038 0.000 0.811 627 E CB -0.503 29.215 29.700 0.030 0.000 0.746 627 E HN 0.642 nan 8.360 nan 0.000 0.466 628 N N 0.315 119.043 118.700 0.047 0.000 2.192 628 N HA -0.187 4.555 4.740 0.004 0.000 0.188 628 N C 1.695 177.260 175.510 0.091 0.000 1.013 628 N CA 1.357 54.439 53.050 0.054 0.000 0.863 628 N CB -0.289 38.220 38.487 0.037 0.000 0.990 628 N HN 0.218 nan 8.380 nan 0.000 0.430 629 R N 0.776 121.334 120.500 0.096 0.000 2.046 629 R HA 0.153 4.495 4.340 0.004 0.000 0.223 629 R C 2.237 178.614 176.300 0.128 0.000 1.179 629 R CA 0.537 56.725 56.100 0.146 0.000 0.952 629 R CB -0.138 30.227 30.300 0.108 0.000 0.843 629 R HN 0.008 nan 8.270 nan 0.000 0.439 630 R N 0.339 120.878 120.500 0.065 0.000 2.189 630 R HA -0.350 3.992 4.340 0.004 0.000 0.252 630 R C 2.294 178.609 176.300 0.025 0.000 1.134 630 R CA 2.560 58.676 56.100 0.028 0.000 0.954 630 R CB -0.383 29.932 30.300 0.025 0.000 0.890 630 R HN 0.276 nan 8.270 nan 0.000 0.443 631 Q N -0.107 119.728 119.800 0.057 0.000 2.002 631 Q HA -0.228 4.114 4.340 0.004 0.000 0.204 631 Q C 1.844 177.900 176.000 0.093 0.000 0.988 631 Q CA 2.334 58.175 55.803 0.063 0.000 0.843 631 Q CB -0.725 28.055 28.738 0.070 0.000 0.908 631 Q HN 0.443 nan 8.270 nan 0.000 0.420 632 F N 0.571 120.512 119.950 -0.014 0.000 2.063 632 F HA -0.266 4.263 4.527 0.004 0.000 0.298 632 F C 1.943 177.723 175.800 -0.034 0.000 1.105 632 F CA 1.961 59.947 58.000 -0.023 0.000 1.215 632 F CB -0.925 38.059 39.000 -0.027 0.000 0.972 632 F HN 0.254 nan 8.300 nan 0.000 0.483 633 I N 0.020 120.332 120.570 -0.429 0.000 2.286 633 I HA -0.269 3.903 4.170 0.004 0.000 0.248 633 I C 2.624 178.540 176.117 -0.335 0.000 1.115 633 I CA 1.878 62.845 61.300 -0.556 0.000 1.392 633 I CB -0.425 37.389 38.000 -0.310 0.000 1.065 633 I HN 0.404 nan 8.210 nan 0.000 0.418 634 E N 0.693 120.794 120.200 -0.166 0.000 2.042 634 E HA -0.200 4.153 4.350 0.004 0.000 0.189 634 E C 1.581 178.146 176.600 -0.059 0.000 0.974 634 E CA 1.118 57.466 56.400 -0.087 0.000 0.806 634 E CB 0.037 29.725 29.700 -0.021 0.000 0.769 634 E HN 0.377 nan 8.360 nan 0.000 0.451 635 D N 1.102 121.486 120.400 -0.027 0.000 2.149 635 D HA -0.181 4.461 4.640 0.004 0.000 0.194 635 D C 1.358 177.642 176.300 -0.027 0.000 1.001 635 D CA 1.078 55.080 54.000 0.003 0.000 0.849 635 D CB -0.418 40.413 40.800 0.051 0.000 0.939 635 D HN 0.210 nan 8.370 nan 0.000 0.449 636 N N 0.290 118.932 118.700 -0.098 0.000 2.280 636 N HA 0.154 4.896 4.740 0.004 0.000 0.192 636 N C 0.186 175.559 175.510 -0.229 0.000 1.109 636 N CA -0.032 52.933 53.050 -0.141 0.000 0.855 636 N CB 0.561 38.925 38.487 -0.205 0.000 0.974 636 N HN 0.050 nan 8.380 nan 0.000 0.482 637 A N 0.761 123.431 122.820 -0.251 0.000 2.520 637 A HA 0.229 4.552 4.320 0.004 0.000 0.235 637 A C 0.372 177.791 177.584 -0.276 0.000 1.065 637 A CA 0.295 52.108 52.037 -0.373 0.000 0.764 637 A CB 0.429 19.189 19.000 -0.400 0.000 1.002 637 A HN 0.017 nan 8.150 nan 0.000 0.502 638 V N 4.584 124.288 119.914 -0.350 0.000 2.467 638 V HA 0.417 4.539 4.120 0.004 0.000 0.260 638 V C -1.111 174.967 176.094 -0.028 0.000 0.963 638 V CA -0.486 61.737 62.300 -0.129 0.000 0.856 638 V CB -0.530 31.242 31.823 -0.085 0.000 1.087 638 V HN 0.873 nan 8.190 nan 0.000 0.467 1014 I N 2.710 123.285 120.570 0.008 0.000 3.620 1014 I HA 0.008 4.180 4.170 0.004 0.000 0.305 1014 I C 0.477 176.599 176.117 0.008 0.000 1.243 1014 I CA 0.786 62.091 61.300 0.008 0.000 1.196 1014 I CB 0.099 38.102 38.000 0.004 0.000 1.004 1014 I HN 0.515 nan 8.210 nan 0.000 0.487 1015 T N -1.381 113.179 114.554 0.009 0.000 3.098 1015 T HA 0.020 4.372 4.350 0.004 0.000 0.246 1015 T C 1.847 176.557 174.700 0.016 0.000 0.983 1015 T CA 0.796 62.901 62.100 0.009 0.000 1.094 1015 T CB 0.320 69.191 68.868 0.005 0.000 1.035 1015 T HN 0.317 nan 8.240 nan 0.000 0.456 1016 S N 2.047 117.757 115.700 0.017 0.000 2.359 1016 S HA -0.168 4.304 4.470 0.004 0.000 0.224 1016 S C 1.912 176.530 174.600 0.030 0.000 1.035 1016 S CA 1.526 59.739 58.200 0.021 0.000 1.018 1016 S CB -0.370 62.841 63.200 0.018 0.000 0.876 1016 S HN 0.437 nan 8.310 nan 0.000 0.448 1017 E N 1.421 121.638 120.200 0.028 0.000 2.070 1017 E HA -0.140 4.212 4.350 0.004 0.000 0.197 1017 E C 2.015 178.646 176.600 0.050 0.000 1.004 1017 E CA 1.314 57.734 56.400 0.035 0.000 0.805 1017 E CB -0.282 29.434 29.700 0.027 0.000 0.744 1017 E HN 0.269 nan 8.360 nan 0.000 0.451 1018 M N 0.167 119.793 119.600 0.044 0.000 2.159 1018 M HA -0.112 4.370 4.480 0.004 0.000 0.263 1018 M C 2.139 178.493 176.300 0.089 0.000 1.063 1018 M CA 1.554 56.888 55.300 0.058 0.000 1.110 1018 M CB -0.775 31.838 32.600 0.021 0.000 1.374 1018 M HN 0.141 nan 8.290 nan 0.000 0.411 1019 R N 0.002 120.544 120.500 0.070 0.000 2.052 1019 R HA -0.073 4.269 4.340 0.004 0.000 0.226 1019 R C 2.089 178.454 176.300 0.109 0.000 1.145 1019 R CA 1.139 57.292 56.100 0.089 0.000 0.952 1019 R CB -0.481 29.852 30.300 0.056 0.000 0.847 1019 R HN 0.461 nan 8.270 nan 0.000 0.431 1020 E N 0.818 121.064 120.200 0.077 0.000 2.065 1020 E HA -0.214 4.138 4.350 0.004 0.000 0.201 1020 E C 2.139 178.788 176.600 0.082 0.000 1.016 1020 E CA 1.969 58.410 56.400 0.068 0.000 0.818 1020 E CB -0.100 29.629 29.700 0.048 0.000 0.749 1020 E HN 0.186 nan 8.360 nan 0.000 0.453 1021 S N -0.142 115.614 115.700 0.093 0.000 2.368 1021 S HA -0.101 4.371 4.470 0.004 0.000 0.224 1021 S C 1.601 176.280 174.600 0.132 0.000 1.029 1021 S CA 0.832 59.088 58.200 0.094 0.000 0.988 1021 S CB -0.175 63.076 63.200 0.085 0.000 0.838 1021 S HN 0.260 nan 8.310 nan 0.000 0.462 1022 F N 0.925 120.909 119.950 0.056 0.000 2.473 1022 F HA 0.218 4.747 4.527 0.002 0.000 0.294 1022 F C 1.702 177.569 175.800 0.112 0.000 1.103 1022 F CA 0.078 58.133 58.000 0.091 0.000 1.442 1022 F CB -0.011 39.026 39.000 0.060 0.000 1.097 1022 F HN 0.079 nan 8.300 nan 0.000 0.547 1023 L N 0.751 122.128 121.223 0.257 0.000 1.994 1023 L HA -0.227 4.115 4.340 0.004 0.000 0.208 1023 L C 1.990 178.887 176.870 0.046 0.000 1.071 1023 L CA 2.042 56.974 54.840 0.154 0.000 0.745 1023 L CB -1.072 41.056 42.059 0.114 0.000 0.892 1023 L HN 0.053 nan 8.230 nan 0.000 0.431 1024 D N -1.792 118.637 120.400 0.048 0.000 2.218 1024 D HA -0.334 4.308 4.640 0.004 0.000 0.194 1024 D C 1.950 178.250 176.300 -0.001 0.000 1.007 1024 D CA 1.979 55.995 54.000 0.026 0.000 0.879 1024 D CB -0.092 40.736 40.800 0.047 0.000 0.918 1024 D HN 0.608 nan 8.370 nan 0.000 0.449 1025 Y N -0.575 119.603 120.300 -0.202 0.000 2.524 1025 Y HA 0.373 4.925 4.550 0.003 0.000 0.270 1025 Y C 1.924 177.633 175.900 -0.318 0.000 1.094 1025 Y CA 0.854 58.791 58.100 -0.271 0.000 1.276 1025 Y CB -0.197 38.041 38.460 -0.371 0.000 1.130 1025 Y HN -0.041 nan 8.280 nan 0.000 0.536 1026 A N 1.651 124.231 122.820 -0.400 0.000 1.851 1026 A HA -0.195 4.127 4.320 0.004 0.000 0.216 1026 A C 2.168 179.596 177.584 -0.260 0.000 1.195 1026 A CA 2.295 54.144 52.037 -0.313 0.000 0.622 1026 A CB -0.813 18.175 19.000 -0.020 0.000 0.831 1026 A HN 0.477 nan 8.150 nan 0.000 0.444 1027 M N -0.401 119.108 119.600 -0.152 0.000 2.088 1027 M HA -0.171 4.311 4.480 0.004 0.000 0.256 1027 M C 2.511 178.719 176.300 -0.153 0.000 1.071 1027 M CA 2.097 57.330 55.300 -0.111 0.000 1.097 1027 M CB -1.650 30.915 32.600 -0.059 0.000 1.315 1027 M HN 0.522 nan 8.290 nan 0.000 0.406 1028 S N 0.499 116.081 115.700 -0.197 0.000 2.354 1028 S HA -0.112 4.360 4.470 0.004 0.000 0.219 1028 S C 2.006 176.456 174.600 -0.250 0.000 1.035 1028 S CA 1.696 59.781 58.200 -0.192 0.000 1.037 1028 S CB -0.375 62.730 63.200 -0.160 0.000 0.956 1028 S HN 0.281 nan 8.310 nan 0.000 0.428 1029 V N 2.523 122.169 119.914 -0.446 0.000 2.418 1029 V HA -0.267 3.856 4.120 0.004 0.000 0.258 1029 V C 2.074 178.039 176.094 -0.216 0.000 1.088 1029 V CA 2.060 64.127 62.300 -0.387 0.000 1.091 1029 V CB -0.909 30.583 31.823 -0.551 0.000 0.669 1029 V HN 0.468 nan 8.190 nan 0.000 0.461 1030 I N 0.298 120.753 120.570 -0.192 0.000 3.062 1030 I HA -0.093 4.080 4.170 0.004 0.000 0.217 1030 I C 2.390 178.452 176.117 -0.091 0.000 1.045 1030 I CA 1.547 62.777 61.300 -0.117 0.000 1.415 1030 I CB -0.684 37.259 38.000 -0.095 0.000 1.269 1030 I HN 0.285 nan 8.210 nan 0.000 0.414 1031 V N -0.238 119.628 119.914 -0.080 0.000 3.284 1031 V HA -0.054 4.068 4.120 0.004 0.000 0.273 1031 V C 1.189 177.250 176.094 -0.055 0.000 1.178 1031 V CA 1.558 63.821 62.300 -0.062 0.000 1.177 1031 V CB -0.989 30.802 31.823 -0.053 0.000 0.793 1031 V HN 0.514 nan 8.190 nan 0.000 0.536 1032 A N -0.739 122.042 122.820 -0.065 0.000 2.594 1032 A HA 0.716 5.038 4.320 0.004 0.000 0.292 1032 A C 1.183 178.738 177.584 -0.049 0.000 1.026 1032 A CA 0.224 52.234 52.037 -0.044 0.000 0.983 1032 A CB 0.236 19.211 19.000 -0.041 0.000 1.233 1032 A HN 0.575 nan 8.150 nan 0.000 0.519 1033 R N -2.880 117.588 120.500 -0.054 0.000 4.102 1033 R HA 0.106 4.448 4.340 0.004 0.000 0.031 1033 R C 1.501 177.783 176.300 -0.031 0.000 0.815 1033 R CA 0.949 57.017 56.100 -0.053 0.000 2.664 1033 R CB -0.992 29.245 30.300 -0.105 0.000 1.047 1033 R HN 0.362 nan 8.270 nan 0.000 0.497 1034 A N 1.813 124.602 122.820 -0.052 0.000 1.975 1034 A HA 0.339 4.661 4.320 0.004 0.000 0.215 1034 A C 0.847 178.413 177.584 -0.030 0.000 1.170 1034 A CA 0.436 52.452 52.037 -0.034 0.000 0.656 1034 A CB -0.080 18.890 19.000 -0.050 0.000 0.821 1034 A HN 0.179 nan 8.150 nan 0.000 0.449 1035 L N 0.800 121.997 121.223 -0.043 0.000 2.325 1035 L HA 0.386 4.728 4.340 0.004 0.000 0.279 1035 L C -2.566 174.274 176.870 -0.050 0.000 1.054 1035 L CA -2.199 52.614 54.840 -0.046 0.000 0.804 1035 L CB 1.800 43.828 42.059 -0.051 0.000 1.200 1035 L HN 0.071 nan 8.230 nan 0.000 0.436 1036 P HA 0.192 nan 4.420 nan 0.000 0.287 1036 P C -1.355 175.893 177.300 -0.086 0.000 1.270 1036 P CA -0.683 62.373 63.100 -0.074 0.000 0.844 1036 P CB 0.968 32.618 31.700 -0.083 0.000 1.068 1037 D N 1.420 121.759 120.400 -0.102 0.000 2.336 1037 D HA -0.025 4.617 4.640 0.004 0.000 0.249 1037 D C 1.473 177.694 176.300 -0.132 0.000 1.213 1037 D CA -0.032 53.896 54.000 -0.120 0.000 0.870 1037 D CB 1.038 41.757 40.800 -0.136 0.000 1.076 1037 D HN 0.037 nan 8.370 nan 0.000 0.483 1038 V N 5.367 125.206 119.914 -0.125 0.000 2.680 1038 V HA -0.344 3.778 4.120 0.004 0.000 0.267 1038 V C 1.710 177.750 176.094 -0.090 0.000 1.137 1038 V CA 2.110 64.345 62.300 -0.108 0.000 1.143 1038 V CB -0.120 31.609 31.823 -0.156 0.000 0.711 1038 V HN 0.510 nan 8.190 nan 0.000 0.490 1039 R N 0.324 120.729 120.500 -0.158 0.000 2.056 1039 R HA 0.094 4.436 4.340 0.004 0.000 0.215 1039 R C 1.929 178.050 176.300 -0.299 0.000 1.205 1039 R CA 1.222 57.172 56.100 -0.251 0.000 1.020 1039 R CB -0.531 29.479 30.300 -0.484 0.000 0.911 1039 R HN 0.714 nan 8.270 nan 0.000 0.451 1040 D N -0.869 119.329 120.400 -0.336 0.000 2.354 1040 D HA 0.096 4.738 4.640 0.004 0.000 0.209 1040 D C 1.048 177.217 176.300 -0.219 0.000 1.015 1040 D CA 0.700 54.537 54.000 -0.271 0.000 0.867 1040 D CB 0.312 40.974 40.800 -0.230 0.000 0.933 1040 D HN 0.390 nan 8.370 nan 0.000 0.520 1041 G N -0.032 108.656 108.800 -0.186 0.000 2.148 1041 G HA2 -0.276 3.686 3.960 0.004 0.000 0.254 1041 G HA3 -0.276 3.686 3.960 0.004 0.000 0.254 1041 G C 0.032 174.849 174.900 -0.139 0.000 0.981 1041 G CA 0.593 45.596 45.100 -0.161 0.000 0.670 1041 G HN 0.399 nan 8.290 nan 0.000 0.528 1042 L N -0.910 120.241 121.223 -0.121 0.000 2.416 1042 L HA 0.673 5.015 4.340 0.004 0.000 0.263 1042 L C 1.013 177.841 176.870 -0.070 0.000 1.065 1042 L CA -1.005 53.782 54.840 -0.087 0.000 0.798 1042 L CB 0.785 42.819 42.059 -0.042 0.000 1.267 1042 L HN -0.015 nan 8.230 nan 0.000 0.467 1043 K N 0.303 120.702 120.400 -0.002 0.000 2.288 1043 K HA 0.348 4.670 4.320 0.004 0.000 0.234 1043 K C -1.820 174.808 176.600 0.047 0.000 1.037 1043 K CA -1.628 54.690 56.287 0.051 0.000 0.914 1043 K CB 1.033 33.627 32.500 0.156 0.000 1.197 1043 K HN 0.131 nan 8.250 nan 0.000 0.471 1044 P HA -0.209 nan 4.420 nan 0.000 0.216 1044 P C 1.428 178.680 177.300 -0.080 0.000 1.153 1044 P CA 0.917 64.010 63.100 -0.012 0.000 0.858 1044 P CB 0.207 31.925 31.700 0.031 0.000 0.789 1045 V N -1.415 118.435 119.914 -0.106 0.000 2.407 1045 V HA -0.225 3.897 4.120 0.004 0.000 0.245 1045 V C 2.077 178.005 176.094 -0.278 0.000 1.041 1045 V CA 1.945 64.009 62.300 -0.393 0.000 1.040 1045 V CB -1.035 30.596 31.823 -0.320 0.000 0.671 1045 V HN 0.087 nan 8.190 nan 0.000 0.455 1046 H N 0.268 119.277 119.070 -0.102 0.000 2.267 1046 H HA -0.141 4.417 4.556 0.003 0.000 0.297 1046 H C 2.441 177.726 175.328 -0.071 0.000 1.080 1046 H CA 2.486 58.499 56.048 -0.058 0.000 1.278 1046 H CB -0.299 29.465 29.762 0.004 0.000 1.365 1046 H HN 0.308 nan 8.280 nan 0.000 0.489 1047 R N 1.004 121.534 120.500 0.050 0.000 2.103 1047 R HA -0.171 4.171 4.340 0.004 0.000 0.242 1047 R C 2.167 178.418 176.300 -0.081 0.000 1.142 1047 R CA 1.648 57.727 56.100 -0.035 0.000 0.960 1047 R CB -0.070 30.172 30.300 -0.097 0.000 0.858 1047 R HN 0.252 nan 8.270 nan 0.000 0.439 1048 R N -0.132 120.286 120.500 -0.137 0.000 2.152 1048 R HA -0.063 4.279 4.340 0.004 0.000 0.232 1048 R C 2.105 178.377 176.300 -0.046 0.000 1.117 1048 R CA 1.374 57.370 56.100 -0.173 0.000 0.981 1048 R CB -0.063 30.107 30.300 -0.217 0.000 0.870 1048 R HN 0.372 nan 8.270 nan 0.000 0.451 1049 I N 0.059 120.601 120.570 -0.047 0.000 2.585 1049 I HA -0.175 3.997 4.170 0.004 0.000 0.254 1049 I C 1.945 178.077 176.117 0.026 0.000 1.129 1049 I CA 0.706 62.002 61.300 -0.007 0.000 1.455 1049 I CB -0.230 37.729 38.000 -0.068 0.000 1.111 1049 I HN 0.127 nan 8.210 nan 0.000 0.433 1050 L N 0.243 121.482 121.223 0.028 0.000 1.989 1050 L HA -0.279 4.063 4.340 0.004 0.000 0.211 1050 L C 2.795 179.703 176.870 0.064 0.000 1.071 1050 L CA 1.950 56.814 54.840 0.039 0.000 0.749 1050 L CB -1.056 41.030 42.059 0.046 0.000 0.890 1050 L HN 0.242 nan 8.230 nan 0.000 0.431 1051 Y N 1.051 121.310 120.300 -0.070 0.000 2.293 1051 Y HA -0.104 4.448 4.550 0.004 0.000 0.291 1051 Y C 2.316 178.210 175.900 -0.010 0.000 1.137 1051 Y CA 1.224 59.276 58.100 -0.081 0.000 1.202 1051 Y CB -0.378 37.961 38.460 -0.201 0.000 0.990 1051 Y HN 0.071 nan 8.280 nan 0.000 0.537 1052 G N 0.729 109.606 108.800 0.128 0.000 2.442 1052 G HA2 -0.246 3.716 3.960 0.004 0.000 0.219 1052 G HA3 -0.246 3.716 3.960 0.004 0.000 0.219 1052 G C 1.552 176.482 174.900 0.050 0.000 1.141 1052 G CA 1.332 46.551 45.100 0.199 0.000 0.763 1052 G HN 0.452 nan 8.290 nan 0.000 0.554 1053 L N 0.272 121.508 121.223 0.022 0.000 1.973 1053 L HA -0.099 4.243 4.340 0.004 0.000 0.208 1053 L C 2.712 179.554 176.870 -0.046 0.000 1.073 1053 L CA 1.399 56.239 54.840 0.001 0.000 0.746 1053 L CB -0.756 41.307 42.059 0.007 0.000 0.891 1053 L HN 0.266 nan 8.230 nan 0.000 0.433 1054 N N 0.119 118.775 118.700 -0.073 0.000 2.096 1054 N HA -0.270 4.473 4.740 0.004 0.000 0.195 1054 N C 1.638 177.066 175.510 -0.136 0.000 1.017 1054 N CA 1.791 54.785 53.050 -0.093 0.000 0.870 1054 N CB 0.059 38.490 38.487 -0.093 0.000 1.024 1054 N HN 0.371 nan 8.380 nan 0.000 0.434 1055 E N -0.040 120.015 120.200 -0.241 0.000 2.274 1055 E HA -0.081 4.271 4.350 0.004 0.000 0.194 1055 E C 0.914 177.466 176.600 -0.079 0.000 0.996 1055 E CA 0.671 56.945 56.400 -0.210 0.000 0.840 1055 E CB -0.016 29.486 29.700 -0.330 0.000 0.772 1055 E HN 0.532 nan 8.360 nan 0.000 0.491 1056 Q N -0.345 119.426 119.800 -0.049 0.000 2.212 1056 Q HA 0.171 4.513 4.340 0.004 0.000 0.213 1056 Q C 0.853 176.845 176.000 -0.012 0.000 0.874 1056 Q CA 0.263 56.058 55.803 -0.013 0.000 0.965 1056 Q CB 0.698 29.441 28.738 0.008 0.000 1.074 1056 Q HN 0.336 nan 8.270 nan 0.000 0.473 1057 G N 1.589 110.375 108.800 -0.023 0.000 2.212 1057 G HA2 -0.336 3.626 3.960 0.004 0.000 0.267 1057 G HA3 -0.336 3.626 3.960 0.004 0.000 0.267 1057 G C 0.639 175.528 174.900 -0.017 0.000 1.002 1057 G CA 0.664 45.753 45.100 -0.018 0.000 0.729 1057 G HN 0.414 nan 8.290 nan 0.000 0.517 1058 M N 2.232 121.823 119.600 -0.015 0.000 2.781 1058 M HA 0.101 4.583 4.480 0.004 0.000 0.208 1058 M C 1.477 177.758 176.300 -0.031 0.000 1.231 1058 M CA 0.780 56.070 55.300 -0.015 0.000 1.029 1058 M CB -0.544 32.060 32.600 0.007 0.000 1.753 1058 M HN 0.424 nan 8.290 nan 0.000 0.448 1059 T N -2.108 112.428 114.554 -0.031 0.000 2.855 1059 T HA 0.078 4.430 4.350 0.004 0.000 0.314 1059 T C -1.839 172.828 174.700 -0.055 0.000 1.077 1059 T CA -1.236 60.845 62.100 -0.032 0.000 1.095 1059 T CB 0.162 69.019 68.868 -0.018 0.000 0.987 1059 T HN 0.102 nan 8.240 nan 0.000 0.546 1060 P HA -0.050 nan 4.420 nan 0.000 0.225 1060 P C 1.053 178.305 177.300 -0.080 0.000 1.148 1060 P CA 1.110 64.167 63.100 -0.072 0.000 0.779 1060 P CB -0.134 31.548 31.700 -0.030 0.000 0.780 1061 D N -0.391 119.976 120.400 -0.054 0.000 2.084 1061 D HA -0.104 4.539 4.640 0.004 0.000 0.194 1061 D C 1.165 177.420 176.300 -0.074 0.000 0.990 1061 D CA 1.351 55.322 54.000 -0.049 0.000 0.826 1061 D CB -0.965 39.818 40.800 -0.027 0.000 0.971 1061 D HN 0.075 nan 8.370 nan 0.000 0.453 1062 K N 0.751 121.103 120.400 -0.081 0.000 2.273 1062 K HA 0.482 4.805 4.320 0.004 0.000 0.240 1062 K C 0.960 177.468 176.600 -0.153 0.000 1.056 1062 K CA -0.038 56.198 56.287 -0.084 0.000 0.910 1062 K CB -0.568 31.901 32.500 -0.053 0.000 1.196 1062 K HN 0.463 nan 8.250 nan 0.000 0.509 1063 S N -1.468 114.169 115.700 -0.106 0.000 2.650 1063 S HA 0.299 4.771 4.470 0.004 0.000 0.251 1063 S C 0.193 174.671 174.600 -0.204 0.000 1.325 1063 S CA -0.127 58.004 58.200 -0.116 0.000 0.967 1063 S CB -0.272 62.938 63.200 0.017 0.000 1.000 1063 S HN 0.474 nan 8.310 nan 0.000 0.584 1064 Y N 0.040 120.368 120.300 0.046 0.000 2.354 1064 Y HA 0.608 5.160 4.550 0.003 0.000 0.322 1064 Y C 0.974 176.907 175.900 0.056 0.000 1.253 1064 Y CA -0.273 57.861 58.100 0.058 0.000 1.272 1064 Y CB 0.473 38.984 38.460 0.084 0.000 1.255 1064 Y HN 0.947 nan 8.280 nan 0.000 0.500 1065 K N 1.471 122.001 120.400 0.216 0.000 2.168 1065 K HA 0.502 4.824 4.320 0.004 0.000 0.239 1065 K C -0.368 176.327 176.600 0.157 0.000 0.999 1065 K CA -1.233 55.142 56.287 0.147 0.000 0.900 1065 K CB 0.477 33.037 32.500 0.099 0.000 1.111 1065 K HN 0.486 nan 8.250 nan 0.000 0.452 1066 K N 1.204 121.665 120.400 0.103 0.000 2.401 1066 K HA 0.096 4.418 4.320 0.004 0.000 0.278 1066 K C 1.238 177.891 176.600 0.088 0.000 1.018 1066 K CA 0.187 56.520 56.287 0.077 0.000 0.981 1066 K CB 1.162 33.678 32.500 0.026 0.000 0.933 1066 K HN 0.702 nan 8.250 nan 0.000 0.477 1067 S N 2.599 118.363 115.700 0.107 0.000 2.369 1067 S HA -0.305 4.167 4.470 0.004 0.000 0.225 1067 S C 1.870 176.484 174.600 0.024 0.000 1.043 1067 S CA 1.885 60.166 58.200 0.134 0.000 1.074 1067 S CB -0.209 63.072 63.200 0.134 0.000 0.962 1067 S HN 0.771 nan 8.310 nan 0.000 0.433 1068 A N 1.691 124.460 122.820 -0.084 0.000 1.887 1068 A HA -0.343 3.979 4.320 0.004 0.000 0.225 1068 A C 2.114 179.680 177.584 -0.031 0.000 1.464 1068 A CA 2.508 54.484 52.037 -0.101 0.000 0.717 1068 A CB -1.034 17.897 19.000 -0.115 0.000 0.848 1068 A HN 0.508 nan 8.150 nan 0.000 0.477 1069 R N -0.798 119.699 120.500 -0.005 0.000 2.070 1069 R HA -0.099 4.244 4.340 0.004 0.000 0.232 1069 R C 2.241 178.561 176.300 0.034 0.000 1.138 1069 R CA 1.728 57.835 56.100 0.012 0.000 0.936 1069 R CB -0.505 29.807 30.300 0.021 0.000 0.839 1069 R HN 0.645 nan 8.270 nan 0.000 0.429 1070 I N 0.336 120.940 120.570 0.057 0.000 2.147 1070 I HA -0.388 3.784 4.170 0.004 0.000 0.245 1070 I C 2.272 178.441 176.117 0.087 0.000 1.059 1070 I CA 1.692 63.041 61.300 0.081 0.000 1.320 1070 I CB -0.290 37.775 38.000 0.109 0.000 1.021 1070 I HN 0.125 nan 8.210 nan 0.000 0.415 1071 V N 0.495 120.457 119.914 0.081 0.000 2.273 1071 V HA -0.132 3.990 4.120 0.004 0.000 0.242 1071 V C 2.565 178.696 176.094 0.062 0.000 1.035 1071 V CA 2.036 64.389 62.300 0.088 0.000 1.013 1071 V CB -1.255 30.614 31.823 0.076 0.000 0.652 1071 V HN 0.555 nan 8.190 nan 0.000 0.452 1072 G N -0.034 108.782 108.800 0.026 0.000 2.485 1072 G HA2 -0.367 3.595 3.960 0.004 0.000 0.221 1072 G HA3 -0.367 3.595 3.960 0.004 0.000 0.221 1072 G C 1.301 176.211 174.900 0.018 0.000 1.115 1072 G CA 1.364 46.472 45.100 0.013 0.000 0.751 1072 G HN 0.604 nan 8.290 nan 0.000 0.567 1073 D N 0.135 120.551 120.400 0.026 0.000 2.085 1073 D HA -0.094 4.548 4.640 0.004 0.000 0.199 1073 D C 2.613 178.913 176.300 -0.001 0.000 0.981 1073 D CA 1.123 55.131 54.000 0.013 0.000 0.834 1073 D CB -0.445 40.375 40.800 0.034 0.000 0.992 1073 D HN 0.135 nan 8.370 nan 0.000 0.457 1074 V N 0.800 120.762 119.914 0.080 0.000 2.295 1074 V HA -0.234 3.888 4.120 0.004 0.000 0.246 1074 V C 2.727 178.903 176.094 0.137 0.000 1.049 1074 V CA 1.983 64.384 62.300 0.169 0.000 1.024 1074 V CB -0.613 31.337 31.823 0.211 0.000 0.648 1074 V HN 0.358 nan 8.190 nan 0.000 0.447 1075 M N 0.052 119.727 119.600 0.124 0.000 2.149 1075 M HA -0.147 4.335 4.480 0.004 0.000 0.261 1075 M C 1.960 178.292 176.300 0.054 0.000 1.064 1075 M CA 2.208 57.575 55.300 0.112 0.000 1.102 1075 M CB -0.505 32.140 32.600 0.075 0.000 1.369 1075 M HN 0.456 nan 8.290 nan 0.000 0.408 1076 G N -0.006 108.809 108.800 0.024 0.000 2.394 1076 G HA2 -0.178 3.785 3.960 0.004 0.000 0.214 1076 G HA3 -0.178 3.785 3.960 0.004 0.000 0.214 1076 G C 1.565 176.484 174.900 0.030 0.000 1.176 1076 G CA 0.596 45.716 45.100 0.032 0.000 0.786 1076 G HN 0.403 nan 8.290 nan 0.000 0.533 1077 K N -0.959 119.309 120.400 -0.219 0.000 2.076 1077 K HA 0.065 4.387 4.320 0.004 0.000 0.204 1077 K C 1.615 178.012 176.600 -0.337 0.000 1.051 1077 K CA 1.165 57.152 56.287 -0.501 0.000 0.949 1077 K CB -0.001 31.855 32.500 -1.073 0.000 0.726 1077 K HN 0.589 nan 8.250 nan 0.000 0.443 1078 Y N -3.410 117.096 120.300 0.343 0.000 2.476 1078 Y HA 0.286 4.838 4.550 0.003 0.000 0.261 1078 Y C 0.079 176.172 175.900 0.321 0.000 1.077 1078 Y CA -0.752 57.567 58.100 0.365 0.000 1.240 1078 Y CB 0.378 38.971 38.460 0.222 0.000 1.317 1078 Y HN -0.080 nan 8.280 nan 0.000 0.540 1079 H N 2.710 121.853 119.070 0.122 0.000 2.860 1079 H HA 0.434 4.992 4.556 0.004 0.000 0.312 1079 H C -2.876 172.283 175.328 -0.281 0.000 0.995 1079 H CA -3.232 52.821 56.048 0.008 0.000 1.311 1079 H CB 1.983 31.833 29.762 0.147 0.000 1.478 1079 H HN -0.190 nan 8.280 nan 0.000 0.508 1080 P HA 0.178 nan 4.420 nan 0.000 0.218 1080 P C -0.519 176.318 177.300 -0.770 0.000 1.826 1080 P CA 0.089 62.675 63.100 -0.856 0.000 0.946 1080 P CB 0.081 31.132 31.700 -1.082 0.000 1.728 1081 H N -0.959 117.873 119.070 -0.397 0.000 2.896 1081 H HA 0.483 5.041 4.556 0.003 0.000 0.318 1081 H C 0.792 176.042 175.328 -0.129 0.000 1.409 1081 H CA -0.907 54.962 56.048 -0.299 0.000 1.328 1081 H CB 0.934 30.429 29.762 -0.446 0.000 1.940 1081 H HN 0.026 nan 8.280 nan 0.000 0.665 1082 G N -0.151 108.698 108.800 0.081 0.000 2.491 1082 G HA2 -0.043 3.920 3.960 0.004 0.000 0.238 1082 G HA3 -0.043 3.920 3.960 0.004 0.000 0.238 1082 G C 0.435 175.377 174.900 0.070 0.000 1.277 1082 G CA 0.206 45.337 45.100 0.053 0.000 0.851 1082 G HN 0.719 nan 8.290 nan 0.000 0.573 1083 D N 0.495 120.923 120.400 0.046 0.000 2.172 1083 D HA -0.189 4.453 4.640 0.004 0.000 0.196 1083 D C 2.041 178.396 176.300 0.091 0.000 0.999 1083 D CA 1.793 55.822 54.000 0.048 0.000 0.856 1083 D CB 0.032 40.837 40.800 0.008 0.000 0.934 1083 D HN 0.272 nan 8.370 nan 0.000 0.453 1084 S N -0.943 114.812 115.700 0.093 0.000 2.501 1084 S HA 0.068 4.540 4.470 0.004 0.000 0.220 1084 S C 1.785 176.458 174.600 0.122 0.000 0.997 1084 S CA 0.132 58.408 58.200 0.126 0.000 0.919 1084 S CB 0.221 63.476 63.200 0.092 0.000 0.778 1084 S HN 0.212 nan 8.310 nan 0.000 0.523 1085 S N 1.340 117.104 115.700 0.106 0.000 2.446 1085 S HA 0.254 4.726 4.470 0.004 0.000 0.225 1085 S C 1.632 176.287 174.600 0.093 0.000 1.016 1085 S CA 0.299 58.553 58.200 0.090 0.000 0.943 1085 S CB -0.097 63.150 63.200 0.079 0.000 0.786 1085 S HN 0.417 nan 8.310 nan 0.000 0.508 1086 I N -0.236 120.419 120.570 0.141 0.000 2.333 1086 I HA -0.097 4.075 4.170 0.004 0.000 0.246 1086 I C 2.119 178.308 176.117 0.119 0.000 1.106 1086 I CA 1.057 62.426 61.300 0.114 0.000 1.411 1086 I CB -0.275 37.826 38.000 0.168 0.000 1.082 1086 I HN 0.270 nan 8.210 nan 0.000 0.420 1087 Y N 1.947 122.263 120.300 0.026 0.000 2.293 1087 Y HA -0.179 4.373 4.550 0.003 0.000 0.291 1087 Y C 1.940 177.862 175.900 0.036 0.000 1.137 1087 Y CA 1.461 59.579 58.100 0.031 0.000 1.202 1087 Y CB -0.122 38.354 38.460 0.027 0.000 0.990 1087 Y HN 0.170 nan 8.280 nan 0.000 0.537 1088 E N -1.134 119.052 120.200 -0.023 0.000 2.444 1088 E HA 0.230 4.582 4.350 0.004 0.000 0.191 1088 E C 1.375 177.938 176.600 -0.061 0.000 1.041 1088 E CA 0.371 56.723 56.400 -0.081 0.000 0.883 1088 E CB 0.246 29.956 29.700 0.017 0.000 1.024 1088 E HN 0.466 nan 8.360 nan 0.000 0.470 1089 A N 0.378 123.135 122.820 -0.105 0.000 1.993 1089 A HA 0.114 4.436 4.320 0.004 0.000 0.202 1089 A C 1.830 179.307 177.584 -0.179 0.000 1.461 1089 A CA -0.068 51.872 52.037 -0.160 0.000 0.824 1089 A CB -0.220 18.539 19.000 -0.402 0.000 1.024 1089 A HN 0.259 nan 8.150 nan 0.000 0.507 1090 M N 0.214 119.701 119.600 -0.189 0.000 2.346 1090 M HA -0.084 4.398 4.480 0.004 0.000 0.263 1090 M C 1.091 177.279 176.300 -0.186 0.000 1.064 1090 M CA 1.431 56.638 55.300 -0.155 0.000 1.083 1090 M CB -0.044 32.525 32.600 -0.053 0.000 1.399 1090 M HN 0.151 nan 8.290 nan 0.000 0.435 1091 V N 0.013 119.787 119.914 -0.235 0.000 3.573 1091 V HA -0.062 4.060 4.120 0.004 0.000 0.270 1091 V C 2.055 178.081 176.094 -0.114 0.000 1.221 1091 V CA 0.913 63.084 62.300 -0.214 0.000 1.163 1091 V CB -0.680 30.895 31.823 -0.413 0.000 0.847 1091 V HN 0.468 nan 8.190 nan 0.000 0.468 1092 R N -0.910 119.541 120.500 -0.081 0.000 2.146 1092 R HA 0.194 4.536 4.340 0.004 0.000 0.206 1092 R C 1.979 178.173 176.300 -0.176 0.000 1.049 1092 R CA 0.532 56.641 56.100 0.014 0.000 1.029 1092 R CB -0.045 30.418 30.300 0.271 0.000 0.949 1092 R HN 0.372 nan 8.270 nan 0.000 0.471 1093 M N -0.004 119.279 119.600 -0.529 0.000 2.700 1093 M HA -0.008 4.474 4.480 0.004 0.000 0.249 1093 M C 1.002 176.957 176.300 -0.574 0.000 1.082 1093 M CA 0.669 55.286 55.300 -1.139 0.000 1.077 1093 M CB 0.476 32.606 32.600 -0.784 0.000 1.477 1093 M HN 0.121 nan 8.290 nan 0.000 0.529 1094 A N -0.732 121.863 122.820 -0.374 0.000 2.571 1094 A HA 0.249 4.571 4.320 0.004 0.000 0.274 1094 A C 0.216 177.646 177.584 -0.257 0.000 1.196 1094 A CA -0.312 51.528 52.037 -0.329 0.000 0.957 1094 A CB 0.409 19.119 19.000 -0.483 0.000 1.150 1094 A HN 0.364 nan 8.150 nan 0.000 0.539 1095 Q N 0.795 120.452 119.800 -0.239 0.000 2.322 1095 Q HA 0.251 4.593 4.340 0.004 0.000 0.265 1095 Q C -0.461 175.347 176.000 -0.320 0.000 0.985 1095 Q CA -0.575 55.019 55.803 -0.349 0.000 0.849 1095 Q CB 1.517 29.871 28.738 -0.640 0.000 1.274 1095 Q HN 0.480 nan 8.270 nan 0.000 0.449 1096 D N 1.535 121.822 120.400 -0.189 0.000 2.363 1096 D HA -0.121 4.521 4.640 0.004 0.000 0.220 1096 D C 0.744 177.068 176.300 0.039 0.000 0.994 1096 D CA 0.546 54.526 54.000 -0.034 0.000 0.890 1096 D CB -0.158 40.676 40.800 0.057 0.000 0.906 1096 D HN 0.563 nan 8.370 nan 0.000 0.530 1097 F N -1.972 118.022 119.950 0.073 0.000 2.661 1097 F HA 0.559 5.088 4.527 0.004 0.000 0.306 1097 F C 1.263 177.156 175.800 0.154 0.000 1.094 1097 F CA -0.725 57.330 58.000 0.092 0.000 1.254 1097 F CB 0.263 39.307 39.000 0.073 0.000 1.040 1097 F HN -0.157 nan 8.300 nan 0.000 0.562 1098 S N -1.485 114.108 115.700 -0.178 0.000 3.334 1098 S HA 0.177 4.649 4.470 0.004 0.000 0.224 1098 S C -0.503 174.129 174.600 0.053 0.000 0.959 1098 S CA -0.079 58.126 58.200 0.008 0.000 0.815 1098 S CB -0.248 62.883 63.200 -0.115 0.000 0.861 1098 S HN 0.160 nan 8.310 nan 0.000 0.596 1099 Y N 3.473 123.714 120.300 -0.097 0.000 2.584 1099 Y HA 0.298 4.850 4.550 0.003 0.000 0.351 1099 Y C 1.354 177.184 175.900 -0.118 0.000 1.030 1099 Y CA -0.607 57.453 58.100 -0.066 0.000 1.332 1099 Y CB 0.473 38.896 38.460 -0.062 0.000 1.148 1099 Y HN 0.101 nan 8.280 nan 0.000 0.528 1100 R N 2.253 122.667 120.500 -0.143 0.000 2.211 1100 R HA -0.156 4.187 4.340 0.004 0.000 0.240 1100 R C -1.017 174.882 176.300 -0.667 0.000 1.144 1100 R CA 1.665 57.519 56.100 -0.412 0.000 0.992 1100 R CB -0.251 29.723 30.300 -0.543 0.000 0.869 1100 R HN 0.594 nan 8.270 nan 0.000 0.462 1101 Y N -0.492 119.837 120.300 0.049 0.000 2.541 1101 Y HA 0.367 4.919 4.550 0.003 0.000 0.350 1101 Y C -2.277 173.655 175.900 0.053 0.000 1.075 1101 Y CA -3.496 54.610 58.100 0.011 0.000 1.302 1101 Y CB 1.177 39.615 38.460 -0.038 0.000 1.094 1101 Y HN -0.030 nan 8.280 nan 0.000 0.579 1102 P HA -0.089 nan 4.420 nan 0.000 0.262 1102 P C 0.439 177.736 177.300 -0.004 0.000 1.151 1102 P CA 0.906 64.020 63.100 0.024 0.000 0.757 1102 P CB 0.797 32.480 31.700 -0.029 0.000 0.754 1103 L N 2.160 123.331 121.223 -0.087 0.000 2.808 1103 L HA 0.223 4.565 4.340 0.004 0.000 0.246 1103 L C 0.229 177.022 176.870 -0.129 0.000 1.153 1103 L CA -0.058 54.738 54.840 -0.073 0.000 0.956 1103 L CB 0.455 42.490 42.059 -0.041 0.000 1.270 1103 L HN 0.149 nan 8.230 nan 0.000 0.528 1104 V N -1.176 118.634 119.914 -0.174 0.000 3.078 1104 V HA 0.390 4.512 4.120 0.004 0.000 0.311 1104 V C -1.231 174.775 176.094 -0.146 0.000 1.138 1104 V CA -0.673 61.529 62.300 -0.164 0.000 1.007 1104 V CB 3.005 34.694 31.823 -0.224 0.000 1.045 1104 V HN -0.108 nan 8.190 nan 0.000 0.432 1105 D N 1.720 122.059 120.400 -0.102 0.000 2.378 1105 D HA 0.427 5.069 4.640 0.004 0.000 0.265 1105 D C 0.094 176.403 176.300 0.014 0.000 1.229 1105 D CA -0.041 53.940 54.000 -0.032 0.000 0.914 1105 D CB 1.202 42.021 40.800 0.032 0.000 1.140 1105 D HN 0.750 nan 8.370 nan 0.000 0.516 1106 G N 1.566 110.150 108.800 -0.359 0.000 2.420 1106 G HA2 0.398 4.360 3.960 0.004 0.000 0.284 1106 G HA3 0.398 4.360 3.960 0.004 0.000 0.284 1106 G C -0.517 174.225 174.900 -0.263 0.000 1.177 1106 G CA -0.500 44.155 45.100 -0.741 0.000 0.841 1106 G HN 0.395 nan 8.290 nan 0.000 0.527 1107 Q N 1.192 120.964 119.800 -0.046 0.000 2.357 1107 Q HA 0.579 4.921 4.340 0.004 0.000 0.266 1107 Q C 0.063 176.210 176.000 0.246 0.000 1.021 1107 Q CA -0.188 55.552 55.803 -0.105 0.000 0.784 1107 Q CB 1.035 29.214 28.738 -0.932 0.000 1.243 1107 Q HN 1.093 nan 8.270 nan 0.000 0.465 1108 G N 2.874 111.832 108.800 0.263 0.000 2.339 1108 G HA2 -0.118 3.844 3.960 0.004 0.000 0.275 1108 G HA3 -0.118 3.844 3.960 0.004 0.000 0.275 1108 G C -1.526 173.397 174.900 0.037 0.000 1.323 1108 G CA -0.915 44.202 45.100 0.028 0.000 0.927 1108 G HN 0.625 nan 8.290 nan 0.000 0.486 1109 N N 0.015 118.658 118.700 -0.095 0.000 2.406 1109 N HA 0.462 5.204 4.740 0.004 0.000 0.265 1109 N C -0.442 174.967 175.510 -0.168 0.000 1.203 1109 N CA -0.145 52.879 53.050 -0.044 0.000 0.945 1109 N CB -0.240 38.229 38.487 -0.031 0.000 1.165 1109 N HN 0.351 nan 8.380 nan 0.000 0.485 1110 F N 3.098 123.090 119.950 0.070 0.000 2.942 1110 F HA 0.400 4.929 4.527 0.003 0.000 0.324 1110 F C 1.532 177.380 175.800 0.080 0.000 1.265 1110 F CA 0.144 58.179 58.000 0.059 0.000 1.255 1110 F CB 0.051 39.064 39.000 0.022 0.000 1.048 1110 F HN 0.712 nan 8.300 nan 0.000 0.512 1111 G N 1.229 110.135 108.800 0.177 0.000 2.801 1111 G HA2 -0.009 3.954 3.960 0.004 0.000 0.244 1111 G HA3 -0.009 3.954 3.960 0.004 0.000 0.244 1111 G C -0.062 174.988 174.900 0.250 0.000 1.385 1111 G CA -0.166 45.040 45.100 0.177 0.000 0.894 1111 G HN 0.933 nan 8.290 nan 0.000 0.562 1112 S N -2.603 113.243 115.700 0.242 0.000 2.800 1112 S HA 0.614 5.086 4.470 0.004 0.000 0.293 1112 S C 1.203 175.760 174.600 -0.073 0.000 1.209 1112 S CA 0.251 58.562 58.200 0.185 0.000 0.884 1112 S CB 0.608 63.810 63.200 0.004 0.000 1.244 1112 S HN 0.987 nan 8.310 nan 0.000 0.540 1113 M N 1.127 120.353 119.600 -0.623 0.000 2.562 1113 M HA 0.071 4.553 4.480 0.004 0.000 0.257 1113 M C 0.363 176.516 176.300 -0.245 0.000 1.099 1113 M CA 0.888 55.785 55.300 -0.671 0.000 1.099 1113 M CB -0.751 31.379 32.600 -0.784 0.000 1.427 1113 M HN 0.561 nan 8.290 nan 0.000 0.489 1114 D N 0.416 120.726 120.400 -0.150 0.000 2.213 1114 D HA 0.047 4.690 4.640 0.004 0.000 0.205 1114 D C 1.665 177.946 176.300 -0.031 0.000 0.961 1114 D CA 1.461 55.415 54.000 -0.078 0.000 0.853 1114 D CB 0.234 40.999 40.800 -0.058 0.000 0.967 1114 D HN 0.507 nan 8.370 nan 0.000 0.496 1115 G N 0.872 109.671 108.800 -0.002 0.000 2.198 1115 G HA2 -0.185 3.777 3.960 0.004 0.000 0.156 1115 G HA3 -0.185 3.777 3.960 0.004 0.000 0.156 1115 G C -0.589 174.337 174.900 0.044 0.000 1.012 1115 G CA -0.379 44.740 45.100 0.032 0.000 0.692 1115 G HN 0.229 nan 8.290 nan 0.000 0.492 1116 D N 0.915 121.340 120.400 0.041 0.000 2.571 1116 D HA 0.428 5.070 4.640 0.004 0.000 0.231 1116 D C 1.307 177.650 176.300 0.070 0.000 1.133 1116 D CA 1.517 55.546 54.000 0.048 0.000 0.862 1116 D CB 0.700 41.527 40.800 0.045 0.000 1.179 1116 D HN 0.467 nan 8.370 nan 0.000 0.474 1117 G N 0.935 109.773 108.800 0.063 0.000 2.441 1117 G HA2 0.384 4.346 3.960 0.004 0.000 0.243 1117 G HA3 0.384 4.346 3.960 0.004 0.000 0.243 1117 G C -0.155 174.794 174.900 0.082 0.000 1.281 1117 G CA -0.610 44.534 45.100 0.074 0.000 0.854 1117 G HN 0.610 nan 8.290 nan 0.000 0.560 1118 A N 1.798 124.674 122.820 0.093 0.000 2.409 1118 A HA 0.656 4.978 4.320 0.004 0.000 0.267 1118 A C 1.045 178.684 177.584 0.092 0.000 1.127 1118 A CA 0.216 52.300 52.037 0.079 0.000 0.795 1118 A CB 0.070 19.109 19.000 0.065 0.000 1.061 1118 A HN 1.982 nan 8.150 nan 0.000 0.502 1119 A N 2.657 125.493 122.820 0.028 0.000 2.587 1119 A HA 0.441 4.763 4.320 0.004 0.000 0.235 1119 A C 1.194 178.868 177.584 0.150 0.000 1.044 1119 A CA 0.325 52.416 52.037 0.089 0.000 0.754 1119 A CB -0.605 18.411 19.000 0.028 0.000 0.968 1119 A HN 2.476 nan 8.150 nan 0.000 0.509 1120 A N 2.711 125.662 122.820 0.218 0.000 2.664 1120 A HA 0.135 4.457 4.320 0.004 0.000 0.228 1120 A C 1.369 178.765 177.584 -0.313 0.000 1.091 1120 A CA 1.050 53.050 52.037 -0.061 0.000 0.793 1120 A CB -0.430 18.397 19.000 -0.288 0.000 1.003 1120 A HN 1.843 nan 8.150 nan 0.000 0.510 1121 M N 1.157 120.359 119.600 -0.664 0.000 2.686 1121 M HA -0.018 4.464 4.480 0.004 0.000 0.246 1121 M C 1.378 177.328 176.300 -0.582 0.000 1.096 1121 M CA 1.585 56.193 55.300 -1.154 0.000 1.076 1121 M CB -0.224 31.404 32.600 -1.621 0.000 1.504 1121 M HN 0.778 nan 8.290 nan 0.000 0.524 1122 R N 0.151 120.318 120.500 -0.555 0.000 2.167 1122 R HA 0.156 4.498 4.340 0.004 0.000 0.201 1122 R C 0.813 176.918 176.300 -0.326 0.000 1.024 1122 R CA 0.366 56.185 56.100 -0.468 0.000 1.053 1122 R CB -0.885 29.051 30.300 -0.605 0.000 0.987 1122 R HN 0.422 nan 8.270 nan 0.000 0.493 1123 F N 3.481 123.360 119.950 -0.118 0.000 2.703 1123 F HA 0.127 4.656 4.527 0.004 0.000 0.299 1123 F C 0.298 176.006 175.800 -0.154 0.000 1.229 1123 F CA -0.142 57.792 58.000 -0.109 0.000 1.430 1123 F CB 0.107 39.045 39.000 -0.103 0.000 1.053 1123 F HN 0.046 nan 8.300 nan 0.000 0.513 1124 T N -3.116 111.423 114.554 -0.025 0.000 2.956 1124 T HA 0.574 4.926 4.350 0.004 0.000 0.312 1124 T C -0.866 173.893 174.700 0.098 0.000 1.151 1124 T CA -0.922 61.130 62.100 -0.081 0.000 1.024 1124 T CB 2.622 71.310 68.868 -0.300 0.000 1.140 1124 T HN 0.060 nan 8.240 nan 0.000 0.473 1125 E N 0.327 120.637 120.200 0.183 0.000 2.320 1125 E HA 0.812 5.164 4.350 0.004 0.000 0.264 1125 E C -0.931 175.881 176.600 0.355 0.000 0.923 1125 E CA -1.306 55.225 56.400 0.218 0.000 0.796 1125 E CB 2.304 32.075 29.700 0.118 0.000 1.262 1125 E HN 1.056 nan 8.360 nan 0.000 0.428 1126 A N 1.413 124.466 122.820 0.389 0.000 2.604 1126 A HA 0.736 5.058 4.320 0.004 0.000 0.295 1126 A C -1.190 176.599 177.584 0.342 0.000 1.067 1126 A CA -0.850 51.399 52.037 0.353 0.000 0.683 1126 A CB 1.362 20.492 19.000 0.217 0.000 1.281 1126 A HN 0.681 nan 8.150 nan 0.000 0.407 1127 R N 0.639 121.279 120.500 0.234 0.000 3.003 1127 R HA 0.831 5.173 4.340 0.004 0.000 0.251 1127 R C -0.670 175.628 176.300 -0.003 0.000 1.265 1127 R CA -1.011 55.116 56.100 0.045 0.000 1.026 1127 R CB 0.891 31.110 30.300 -0.135 0.000 1.307 1127 R HN 0.566 nan 8.270 nan 0.000 0.475 1128 M N 1.795 121.376 119.600 -0.032 0.000 2.274 1128 M HA 0.226 4.708 4.480 0.004 0.000 0.344 1128 M C -0.387 175.887 176.300 -0.044 0.000 1.161 1128 M CA -0.360 54.918 55.300 -0.036 0.000 1.126 1128 M CB 1.838 34.422 32.600 -0.026 0.000 1.522 1128 M HN 0.700 nan 8.290 nan 0.000 0.461 1129 T N 0.676 115.199 114.554 -0.051 0.000 2.913 1129 T HA 0.219 4.571 4.350 0.004 0.000 0.297 1129 T C 0.921 175.586 174.700 -0.059 0.000 1.029 1129 T CA -0.769 61.299 62.100 -0.055 0.000 1.104 1129 T CB 0.973 69.794 68.868 -0.078 0.000 0.964 1129 T HN 0.590 nan 8.240 nan 0.000 0.532 1130 K N 0.951 121.340 120.400 -0.018 0.000 2.209 1130 K HA -0.002 4.320 4.320 0.004 0.000 0.204 1130 K C 1.702 178.230 176.600 -0.120 0.000 1.048 1130 K CA 0.840 57.163 56.287 0.060 0.000 0.940 1130 K CB -0.257 32.391 32.500 0.247 0.000 0.729 1130 K HN 0.571 nan 8.250 nan 0.000 0.451 1131 I N 1.515 121.787 120.570 -0.496 0.000 3.550 1131 I HA -0.124 4.048 4.170 0.004 0.000 0.295 1131 I C 0.741 176.617 176.117 -0.400 0.000 1.291 1131 I CA 0.678 61.392 61.300 -0.976 0.000 1.298 1131 I CB 0.081 37.380 38.000 -1.169 0.000 1.026 1131 I HN 0.110 nan 8.210 nan 0.000 0.491 1132 T N 0.371 114.830 114.554 -0.159 0.000 3.033 1132 T HA 0.090 4.442 4.350 0.004 0.000 0.248 1132 T C 1.795 176.515 174.700 0.033 0.000 1.040 1132 T CA 0.389 62.481 62.100 -0.013 0.000 1.133 1132 T CB -0.000 68.862 68.868 -0.009 0.000 0.895 1132 T HN 0.252 nan 8.240 nan 0.000 0.465 1133 L N 1.365 122.600 121.223 0.020 0.000 2.129 1133 L HA -0.149 4.194 4.340 0.004 0.000 0.212 1133 L C 2.699 179.623 176.870 0.091 0.000 1.087 1133 L CA 1.179 56.053 54.840 0.058 0.000 0.757 1133 L CB -0.772 41.330 42.059 0.071 0.000 0.896 1133 L HN 0.204 nan 8.230 nan 0.000 0.434 1134 E N 0.514 120.778 120.200 0.107 0.000 2.072 1134 E HA -0.156 4.196 4.350 0.004 0.000 0.191 1134 E C 2.413 179.135 176.600 0.203 0.000 0.985 1134 E CA 0.998 57.502 56.400 0.174 0.000 0.801 1134 E CB -0.341 29.484 29.700 0.207 0.000 0.750 1134 E HN 0.523 nan 8.360 nan 0.000 0.452 1135 L N 0.351 121.707 121.223 0.222 0.000 2.043 1135 L HA -0.191 4.151 4.340 0.004 0.000 0.212 1135 L C 2.441 179.375 176.870 0.106 0.000 1.075 1135 L CA 1.111 56.041 54.840 0.150 0.000 0.752 1135 L CB -0.407 41.727 42.059 0.124 0.000 0.891 1135 L HN 0.106 nan 8.230 nan 0.000 0.432 1136 L N -1.446 119.836 121.223 0.099 0.000 2.446 1136 L HA 0.045 4.387 4.340 0.004 0.000 0.219 1136 L C 1.346 178.267 176.870 0.084 0.000 1.116 1136 L CA -0.150 54.745 54.840 0.090 0.000 0.844 1136 L CB -0.252 41.855 42.059 0.079 0.000 0.970 1136 L HN 0.093 nan 8.230 nan 0.000 0.457 1137 R N 1.402 121.953 120.500 0.086 0.000 2.502 1137 R HA -0.075 4.267 4.340 0.004 0.000 0.292 1137 R C -0.010 176.320 176.300 0.051 0.000 0.998 1137 R CA 0.591 56.734 56.100 0.071 0.000 1.056 1137 R CB 0.188 30.539 30.300 0.085 0.000 0.939 1137 R HN 0.202 nan 8.270 nan 0.000 0.411 1138 D N 1.493 121.911 120.400 0.030 0.000 2.384 1138 D HA -0.286 4.356 4.640 0.004 0.000 0.170 1138 D C 1.060 177.351 176.300 -0.015 0.000 1.010 1138 D CA 1.332 55.327 54.000 -0.007 0.000 1.035 1138 D CB -1.115 39.677 40.800 -0.014 0.000 1.093 1138 D HN 0.643 nan 8.370 nan 0.000 0.476 1139 I N 0.912 121.508 120.570 0.043 0.000 2.191 1139 I HA -0.396 3.777 4.170 0.004 0.000 0.248 1139 I C 1.831 178.019 176.117 0.118 0.000 1.061 1139 I CA 1.954 63.317 61.300 0.105 0.000 1.329 1139 I CB -0.032 38.070 38.000 0.170 0.000 1.024 1139 I HN 0.120 nan 8.210 nan 0.000 0.423 1140 N N 1.231 119.955 118.700 0.041 0.000 2.244 1140 N HA -0.117 4.626 4.740 0.004 0.000 0.183 1140 N C 0.399 175.789 175.510 -0.200 0.000 1.016 1140 N CA 0.982 54.019 53.050 -0.022 0.000 0.866 1140 N CB -0.170 38.305 38.487 -0.020 0.000 0.980 1140 N HN 0.472 nan 8.380 nan 0.000 0.430 1141 K N 1.854 122.033 120.400 -0.369 0.000 2.480 1141 K HA 0.034 4.356 4.320 0.004 0.000 0.241 1141 K C -0.237 175.983 176.600 -0.634 0.000 1.261 1141 K CA -0.204 55.493 56.287 -0.984 0.000 1.193 1141 K CB -0.036 31.898 32.500 -0.942 0.000 1.598 1141 K HN -0.095 nan 8.250 nan 0.000 0.278 1142 D N 1.542 121.765 120.400 -0.294 0.000 2.781 1142 D HA -0.227 4.415 4.640 0.004 0.000 0.225 1142 D C 1.068 177.357 176.300 -0.018 0.000 1.177 1142 D CA 1.557 55.535 54.000 -0.037 0.000 0.620 1142 D CB -0.501 40.362 40.800 0.104 0.000 1.038 1142 D HN 0.656 nan 8.370 nan 0.000 0.415 1143 T N -2.968 111.561 114.554 -0.042 0.000 2.978 1143 T HA 0.129 4.481 4.350 0.004 0.000 0.262 1143 T C 1.189 175.882 174.700 -0.011 0.000 1.063 1143 T CA 0.895 62.971 62.100 -0.040 0.000 1.140 1143 T CB 0.008 68.840 68.868 -0.060 0.000 0.886 1143 T HN 0.403 nan 8.240 nan 0.000 0.470 1144 I N -1.932 118.675 120.570 0.062 0.000 3.457 1144 I HA 0.811 4.983 4.170 0.004 0.000 0.307 1144 I C -1.927 174.280 176.117 0.150 0.000 1.138 1144 I CA -1.529 59.809 61.300 0.063 0.000 0.974 1144 I CB 1.374 39.388 38.000 0.023 0.000 1.324 1144 I HN -0.307 nan 8.210 nan 0.000 0.485 1145 D N 1.464 121.908 120.400 0.074 0.000 2.217 1145 D HA 0.496 5.138 4.640 0.004 0.000 0.243 1145 D C -1.306 175.019 176.300 0.041 0.000 1.054 1145 D CA 0.266 54.338 54.000 0.120 0.000 0.838 1145 D CB 1.186 42.017 40.800 0.051 0.000 1.162 1145 D HN 0.275 nan 8.370 nan 0.000 0.472 1146 F N 2.135 122.069 119.950 -0.026 0.000 2.408 1146 F HA 0.422 4.950 4.527 0.003 0.000 0.344 1146 F C 0.806 176.589 175.800 -0.028 0.000 1.112 1146 F CA -0.928 57.048 58.000 -0.041 0.000 1.096 1146 F CB 0.653 39.643 39.000 -0.016 0.000 1.129 1146 F HN 0.188 nan 8.300 nan 0.000 0.486 1147 I N -1.368 119.228 120.570 0.044 0.000 3.100 1147 I HA 0.610 4.783 4.170 0.004 0.000 0.312 1147 I C -0.660 175.500 176.117 0.070 0.000 1.063 1147 I CA -1.189 60.138 61.300 0.044 0.000 1.031 1147 I CB 1.225 39.222 38.000 -0.004 0.000 1.243 1147 I HN 0.190 nan 8.210 nan 0.000 0.483 1148 D N 2.741 123.179 120.400 0.063 0.000 2.350 1148 D HA 0.158 4.801 4.640 0.004 0.000 0.249 1148 D C 0.003 176.352 176.300 0.081 0.000 1.119 1148 D CA 0.063 54.103 54.000 0.067 0.000 0.886 1148 D CB 0.610 41.439 40.800 0.048 0.000 1.195 1148 D HN 0.604 nan 8.370 nan 0.000 0.437 1149 N N 1.570 120.333 118.700 0.104 0.000 2.332 1149 N HA -0.080 4.662 4.740 0.004 0.000 0.282 1149 N C 1.265 176.862 175.510 0.145 0.000 1.288 1149 N CA -0.208 52.944 53.050 0.170 0.000 0.949 1149 N CB -0.324 38.302 38.487 0.232 0.000 1.108 1149 N HN 0.505 nan 8.380 nan 0.000 0.542 1150 Y N -1.439 118.910 120.300 0.083 0.000 2.315 1150 Y HA -0.048 4.504 4.550 0.003 0.000 0.288 1150 Y C 0.842 176.759 175.900 0.029 0.000 1.154 1150 Y CA 1.638 59.766 58.100 0.048 0.000 1.229 1150 Y CB -0.752 37.725 38.460 0.028 0.000 0.980 1150 Y HN 0.576 nan 8.280 nan 0.000 0.540 1151 D N -2.721 117.454 120.400 -0.374 0.000 2.473 1151 D HA 0.290 4.933 4.640 0.004 0.000 0.230 1151 D C 1.834 178.037 176.300 -0.162 0.000 1.097 1151 D CA 0.594 54.414 54.000 -0.298 0.000 0.861 1151 D CB 0.129 40.640 40.800 -0.483 0.000 1.114 1151 D HN 0.429 nan 8.370 nan 0.000 0.500 1152 G N 0.580 109.301 108.800 -0.132 0.000 2.218 1152 G HA2 -0.267 3.695 3.960 0.004 0.000 0.216 1152 G HA3 -0.267 3.695 3.960 0.004 0.000 0.216 1152 G C 0.743 175.618 174.900 -0.041 0.000 0.994 1152 G CA 0.082 45.151 45.100 -0.052 0.000 0.637 1152 G HN 0.237 nan 8.290 nan 0.000 0.505 1153 N N 1.754 120.403 118.700 -0.085 0.000 2.501 1153 N HA 0.137 4.879 4.740 0.004 0.000 0.195 1153 N C 0.181 175.688 175.510 -0.005 0.000 1.213 1153 N CA 1.122 54.141 53.050 -0.053 0.000 0.864 1153 N CB 0.170 38.606 38.487 -0.085 0.000 0.999 1153 N HN 0.673 nan 8.380 nan 0.000 0.454 1154 E N -0.084 120.137 120.200 0.035 0.000 2.416 1154 E HA 0.320 4.672 4.350 0.004 0.000 0.280 1154 E C -0.592 176.113 176.600 0.174 0.000 1.055 1154 E CA -0.669 55.805 56.400 0.123 0.000 0.825 1154 E CB 1.739 31.538 29.700 0.165 0.000 1.312 1154 E HN -0.104 nan 8.360 nan 0.000 0.452 1155 R N 1.204 121.852 120.500 0.247 0.000 2.598 1155 R HA 0.498 4.840 4.340 0.004 0.000 0.279 1155 R C 0.036 176.473 176.300 0.229 0.000 0.984 1155 R CA -0.489 55.771 56.100 0.267 0.000 0.999 1155 R CB 1.363 31.877 30.300 0.356 0.000 1.114 1155 R HN 0.705 nan 8.270 nan 0.000 0.493 1156 E N 1.031 121.219 120.200 -0.020 0.000 2.383 1156 E HA 0.454 4.806 4.350 0.004 0.000 0.275 1156 E C -2.733 173.421 176.600 -0.743 0.000 0.918 1156 E CA -2.308 53.781 56.400 -0.520 0.000 0.764 1156 E CB 2.629 32.059 29.700 -0.450 0.000 1.252 1156 E HN 0.140 nan 8.360 nan 0.000 0.449 1157 P HA -0.011 nan 4.420 nan 0.000 0.277 1157 P C 0.770 177.733 177.300 -0.561 0.000 1.354 1157 P CA -0.230 62.241 63.100 -1.049 0.000 0.891 1157 P CB 0.848 32.000 31.700 -0.915 0.000 1.058 1158 S N 2.593 118.061 115.700 -0.386 0.000 2.547 1158 S HA -0.016 4.456 4.470 0.004 0.000 0.255 1158 S C 0.643 175.133 174.600 -0.184 0.000 0.977 1158 S CA 0.384 58.452 58.200 -0.219 0.000 0.960 1158 S CB -0.876 62.244 63.200 -0.133 0.000 0.746 1158 S HN 0.472 nan 8.310 nan 0.000 0.532 1159 V N -0.161 119.622 119.914 -0.218 0.000 2.827 1159 V HA 0.256 4.379 4.120 0.004 0.000 0.250 1159 V C -1.308 174.719 176.094 -0.113 0.000 1.755 1159 V CA -0.972 61.242 62.300 -0.145 0.000 0.888 1159 V CB 1.031 32.810 31.823 -0.074 0.000 1.303 1159 V HN 0.392 nan 8.190 nan 0.000 0.470 1160 L N 7.528 128.701 121.223 -0.085 0.000 2.439 1160 L HA 0.460 4.803 4.340 0.004 0.000 0.261 1160 L C -1.380 175.567 176.870 0.128 0.000 1.153 1160 L CA -1.545 53.289 54.840 -0.009 0.000 0.808 1160 L CB 0.900 42.954 42.059 -0.008 0.000 1.126 1160 L HN 0.445 nan 8.230 nan 0.000 0.460 1161 P HA -0.231 nan 4.420 nan 0.000 0.216 1161 P C 0.314 177.799 177.300 0.308 0.000 1.153 1161 P CA 1.431 64.653 63.100 0.202 0.000 0.858 1161 P CB 0.031 31.779 31.700 0.081 0.000 0.789 1162 A N -0.841 122.073 122.820 0.157 0.000 2.136 1162 A HA -0.233 4.089 4.320 0.004 0.000 0.274 1162 A C 1.180 178.864 177.584 0.167 0.000 1.388 1162 A CA 0.427 52.506 52.037 0.070 0.000 0.741 1162 A CB -1.492 17.475 19.000 -0.055 0.000 1.173 1162 A HN 0.093 nan 8.150 nan 0.000 0.329 1163 R N -0.512 120.113 120.500 0.209 0.000 2.357 1163 R HA 0.093 4.435 4.340 0.004 0.000 0.202 1163 R C 0.524 177.030 176.300 0.343 0.000 1.047 1163 R CA 1.424 57.657 56.100 0.222 0.000 1.034 1163 R CB -1.001 29.408 30.300 0.182 0.000 0.875 1163 R HN 1.037 nan 8.270 nan 0.000 0.473 1164 F N -1.422 118.631 119.950 0.171 0.000 2.577 1164 F HA 0.603 5.132 4.527 0.004 0.000 0.318 1164 F C -2.655 173.190 175.800 0.075 0.000 1.065 1164 F CA -3.552 54.531 58.000 0.138 0.000 0.929 1164 F CB 1.687 40.669 39.000 -0.030 0.000 1.237 1164 F HN -0.301 nan 8.300 nan 0.000 0.468 1165 P HA 0.100 nan 4.420 nan 0.000 0.262 1165 P C -0.486 176.329 177.300 -0.809 0.000 1.455 1165 P CA 0.482 62.757 63.100 -1.375 0.000 1.217 1165 P CB 0.283 31.333 31.700 -1.084 0.000 1.625 1166 N N 2.830 121.032 118.700 -0.830 0.000 2.409 1166 N HA -0.055 4.687 4.740 0.004 0.000 0.174 1166 N C 1.284 176.590 175.510 -0.340 0.000 1.037 1166 N CA 0.391 52.987 53.050 -0.756 0.000 0.898 1166 N CB -0.516 37.417 38.487 -0.923 0.000 1.010 1166 N HN 0.119 nan 8.380 nan 0.000 0.445 1167 L N 0.456 121.499 121.223 -0.301 0.000 1.994 1167 L HA 0.020 4.362 4.340 0.004 0.000 0.208 1167 L C 1.885 178.679 176.870 -0.126 0.000 1.071 1167 L CA 1.590 56.320 54.840 -0.183 0.000 0.745 1167 L CB -0.507 41.460 42.059 -0.153 0.000 0.892 1167 L HN 0.213 nan 8.230 nan 0.000 0.431 1168 L N -1.045 120.086 121.223 -0.153 0.000 2.179 1168 L HA -0.063 4.279 4.340 0.004 0.000 0.208 1168 L C 2.609 179.500 176.870 0.036 0.000 1.096 1168 L CA 0.779 55.574 54.840 -0.075 0.000 0.779 1168 L CB -0.769 41.166 42.059 -0.208 0.000 0.922 1168 L HN 0.389 nan 8.230 nan 0.000 0.443 1169 A N 0.573 123.398 122.820 0.009 0.000 1.841 1169 A HA -0.221 4.101 4.320 0.004 0.000 0.216 1169 A C 2.047 179.751 177.584 0.201 0.000 1.199 1169 A CA 2.082 54.234 52.037 0.191 0.000 0.621 1169 A CB -0.548 18.602 19.000 0.251 0.000 0.835 1169 A HN 0.410 nan 8.150 nan 0.000 0.445 1170 N N -0.784 117.993 118.700 0.129 0.000 2.395 1170 N HA 0.247 4.990 4.740 0.004 0.000 0.175 1170 N C 0.990 176.408 175.510 -0.153 0.000 1.029 1170 N CA 1.222 54.265 53.050 -0.013 0.000 0.897 1170 N CB 0.245 38.737 38.487 0.009 0.000 0.991 1170 N HN 0.768 nan 8.380 nan 0.000 0.441 1171 G N -0.119 108.624 108.800 -0.094 0.000 2.549 1171 G HA2 0.278 4.240 3.960 0.004 0.000 0.404 1171 G HA3 0.278 4.240 3.960 0.004 0.000 0.404 1171 G C -1.504 173.351 174.900 -0.076 0.000 1.292 1171 G CA -0.365 44.703 45.100 -0.053 0.000 0.935 1171 G HN 0.506 nan 8.290 nan 0.000 0.512 1172 A N -1.204 121.616 122.820 -0.000 0.000 2.594 1172 A HA 1.098 5.420 4.320 0.004 0.000 0.295 1172 A C -0.092 177.522 177.584 0.049 0.000 1.071 1172 A CA 0.686 52.710 52.037 -0.023 0.000 0.685 1172 A CB 1.541 20.518 19.000 -0.038 0.000 1.285 1172 A HN 2.612 nan 8.150 nan 0.000 0.405 1173 S N 0.422 116.132 115.700 0.017 0.000 2.545 1173 S HA 0.685 5.157 4.470 0.004 0.000 0.259 1173 S C -0.377 174.223 174.600 0.000 0.000 1.092 1173 S CA 0.128 58.341 58.200 0.022 0.000 1.054 1173 S CB 0.584 63.817 63.200 0.055 0.000 1.146 1173 S HN 2.256 nan 8.310 nan 0.000 0.447 1174 G N 1.646 110.440 108.800 -0.010 0.000 2.605 1174 G HA2 0.756 4.718 3.960 0.004 0.000 0.296 1174 G HA3 0.756 4.718 3.960 0.004 0.000 0.296 1174 G C -1.314 173.578 174.900 -0.014 0.000 1.304 1174 G CA -0.996 44.100 45.100 -0.007 0.000 0.941 1174 G HN 0.789 nan 8.290 nan 0.000 0.475 1175 I N 1.550 122.116 120.570 -0.007 0.000 2.382 1175 I HA 0.469 4.641 4.170 0.004 0.000 0.285 1175 I C 0.831 176.945 176.117 -0.005 0.000 1.007 1175 I CA -0.594 60.703 61.300 -0.005 0.000 1.142 1175 I CB 1.677 39.680 38.000 0.005 0.000 1.289 1175 I HN 0.650 nan 8.210 nan 0.000 0.453 1176 A N 6.069 128.882 122.820 -0.012 0.000 3.669 1176 A HA 0.752 5.074 4.320 0.004 0.000 0.190 1176 A C -0.003 177.577 177.584 -0.007 0.000 1.964 1176 A CA -0.085 51.933 52.037 -0.033 0.000 1.580 1176 A CB 0.596 19.569 19.000 -0.046 0.000 1.200 1176 A HN 0.374 nan 8.150 nan 0.000 0.359 1177 V N -1.031 118.882 119.914 -0.001 0.000 2.663 1177 V HA 0.546 4.668 4.120 0.004 0.000 0.286 1177 V C 0.515 176.657 176.094 0.079 0.000 1.085 1177 V CA 0.338 62.678 62.300 0.068 0.000 0.916 1177 V CB 0.522 32.375 31.823 0.050 0.000 1.039 1177 V HN 2.006 nan 8.190 nan 0.000 0.453 1178 G N 4.778 113.630 108.800 0.086 0.000 2.234 1178 G HA2 -0.188 3.774 3.960 0.004 0.000 0.235 1178 G HA3 -0.188 3.774 3.960 0.004 0.000 0.235 1178 G C -0.105 174.814 174.900 0.031 0.000 0.997 1178 G CA 0.535 45.674 45.100 0.064 0.000 0.623 1178 G HN 0.939 nan 8.290 nan 0.000 0.514 1179 M N -1.413 118.199 119.600 0.021 0.000 2.773 1179 M HA 0.807 5.289 4.480 0.004 0.000 0.270 1179 M C -0.366 175.931 176.300 -0.005 0.000 1.238 1179 M CA -0.479 54.822 55.300 0.003 0.000 0.832 1179 M CB 1.535 34.133 32.600 -0.004 0.000 1.672 1179 M HN 1.144 nan 8.290 nan 0.000 0.480 1180 A N 0.182 122.994 122.820 -0.014 0.000 2.539 1180 A HA 1.033 5.355 4.320 0.004 0.000 0.272 1180 A C -0.943 176.626 177.584 -0.025 0.000 1.286 1180 A CA -0.571 51.453 52.037 -0.021 0.000 0.792 1180 A CB 1.927 20.911 19.000 -0.027 0.000 1.355 1180 A HN 0.919 nan 8.150 nan 0.000 0.472 1181 T N -0.516 114.020 114.554 -0.029 0.000 2.889 1181 T HA 0.579 4.932 4.350 0.004 0.000 0.315 1181 T C -2.076 172.607 174.700 -0.029 0.000 1.291 1181 T CA -0.529 61.555 62.100 -0.025 0.000 1.028 1181 T CB 1.341 70.198 68.868 -0.019 0.000 1.235 1181 T HN 1.006 nan 8.240 nan 0.000 0.491 1182 N N 2.411 121.098 118.700 -0.022 0.000 2.406 1182 N HA 0.672 5.415 4.740 0.004 0.000 0.283 1182 N C -1.953 173.609 175.510 0.087 0.000 1.074 1182 N CA -0.428 52.614 53.050 -0.013 0.000 0.916 1182 N CB 1.228 39.612 38.487 -0.172 0.000 1.639 1182 N HN 0.695 nan 8.380 nan 0.000 0.485 1183 I N 3.344 124.048 120.570 0.224 0.000 2.680 1183 I HA 0.436 4.608 4.170 0.004 0.000 0.291 1183 I C -2.518 173.803 176.117 0.341 0.000 1.244 1183 I CA -1.394 60.065 61.300 0.265 0.000 1.042 1183 I CB 3.142 41.223 38.000 0.136 0.000 1.277 1183 I HN 0.352 nan 8.210 nan 0.000 0.423 1184 P HA 0.389 nan 4.420 nan 0.000 0.290 1184 P C -2.828 174.250 177.300 -0.370 0.000 1.275 1184 P CA -2.259 60.716 63.100 -0.207 0.000 0.841 1184 P CB 1.046 32.460 31.700 -0.477 0.000 1.042 1185 P HA 0.139 nan 4.420 nan 0.000 0.269 1185 P C -0.638 176.316 177.300 -0.576 0.000 1.209 1185 P CA 0.533 63.383 63.100 -0.417 0.000 0.776 1185 P CB 0.385 31.778 31.700 -0.512 0.000 0.876 1186 H N -0.543 118.399 119.070 -0.214 0.000 2.824 1186 H HA 0.378 4.936 4.556 0.004 0.000 0.345 1186 H C 0.399 175.704 175.328 -0.038 0.000 1.252 1186 H CA -0.778 55.174 56.048 -0.159 0.000 1.246 1186 H CB 0.671 30.373 29.762 -0.099 0.000 1.908 1186 H HN 0.342 nan 8.280 nan 0.000 0.601 1187 N N 1.165 119.935 118.700 0.118 0.000 2.499 1187 N HA -0.010 4.732 4.740 0.004 0.000 0.281 1187 N C 0.707 176.295 175.510 0.131 0.000 1.098 1187 N CA -0.169 52.964 53.050 0.137 0.000 0.979 1187 N CB 1.155 39.679 38.487 0.061 0.000 1.121 1187 N HN 0.386 nan 8.380 nan 0.000 0.466 1188 L N 3.969 125.291 121.223 0.165 0.000 1.989 1188 L HA -0.163 4.179 4.340 0.004 0.000 0.211 1188 L C 2.116 178.987 176.870 0.002 0.000 1.071 1188 L CA 1.968 56.802 54.840 -0.011 0.000 0.749 1188 L CB -1.285 40.650 42.059 -0.207 0.000 0.890 1188 L HN 0.662 nan 8.230 nan 0.000 0.431 1189 T N -0.315 114.252 114.554 0.023 0.000 2.536 1189 T HA -0.297 4.055 4.350 0.004 0.000 0.263 1189 T C 1.639 176.340 174.700 0.002 0.000 1.115 1189 T CA 2.034 64.141 62.100 0.013 0.000 1.180 1189 T CB -0.503 68.377 68.868 0.019 0.000 0.864 1189 T HN 0.458 nan 8.240 nan 0.000 0.419 1190 E N 0.739 120.940 120.200 0.003 0.000 2.219 1190 E HA -0.094 4.258 4.350 0.004 0.000 0.198 1190 E C 2.267 178.842 176.600 -0.042 0.000 0.998 1190 E CA 0.712 57.101 56.400 -0.018 0.000 0.818 1190 E CB -0.329 29.363 29.700 -0.013 0.000 0.741 1190 E HN 0.432 nan 8.360 nan 0.000 0.477 1191 L N 0.459 121.661 121.223 -0.034 0.000 1.993 1191 L HA -0.149 4.193 4.340 0.004 0.000 0.206 1191 L C 2.491 179.336 176.870 -0.042 0.000 1.074 1191 L CA 0.963 55.762 54.840 -0.069 0.000 0.746 1191 L CB -0.367 41.648 42.059 -0.074 0.000 0.896 1191 L HN 0.154 nan 8.230 nan 0.000 0.435 1192 I N -0.119 120.445 120.570 -0.010 0.000 2.127 1192 I HA -0.346 3.826 4.170 0.004 0.000 0.241 1192 I C 2.247 178.369 176.117 0.009 0.000 1.075 1192 I CA 1.234 62.547 61.300 0.021 0.000 1.334 1192 I CB -0.754 37.267 38.000 0.035 0.000 1.040 1192 I HN 0.356 nan 8.210 nan 0.000 0.405 1193 N N 1.435 120.133 118.700 -0.003 0.000 2.103 1193 N HA -0.221 4.521 4.740 0.004 0.000 0.200 1193 N C 1.832 177.332 175.510 -0.017 0.000 1.016 1193 N CA 2.239 55.283 53.050 -0.010 0.000 0.890 1193 N CB -1.090 37.387 38.487 -0.016 0.000 1.075 1193 N HN 0.498 nan 8.380 nan 0.000 0.506 1194 G N 0.341 109.120 108.800 -0.035 0.000 2.408 1194 G HA2 -0.134 3.828 3.960 0.004 0.000 0.217 1194 G HA3 -0.134 3.828 3.960 0.004 0.000 0.217 1194 G C 1.750 176.633 174.900 -0.030 0.000 1.150 1194 G CA 0.943 46.014 45.100 -0.047 0.000 0.776 1194 G HN 0.216 nan 8.290 nan 0.000 0.542 1195 V N 1.576 121.482 119.914 -0.014 0.000 2.217 1195 V HA -0.277 3.845 4.120 0.004 0.000 0.248 1195 V C 2.898 179.004 176.094 0.020 0.000 1.050 1195 V CA 2.111 64.425 62.300 0.024 0.000 1.007 1195 V CB -0.918 30.954 31.823 0.081 0.000 0.639 1195 V HN 0.412 nan 8.190 nan 0.000 0.452 1196 L N 0.206 121.442 121.223 0.022 0.000 2.095 1196 L HA -0.357 3.985 4.340 0.004 0.000 0.229 1196 L C 2.558 179.429 176.870 0.000 0.000 1.097 1196 L CA 2.238 57.085 54.840 0.012 0.000 0.813 1196 L CB -1.244 40.821 42.059 0.009 0.000 0.907 1196 L HN 0.343 nan 8.230 nan 0.000 0.445 1197 S N -0.114 115.582 115.700 -0.007 0.000 2.365 1197 S HA -0.214 4.258 4.470 0.004 0.000 0.225 1197 S C 1.822 176.415 174.600 -0.013 0.000 1.039 1197 S CA 1.819 60.011 58.200 -0.013 0.000 1.033 1197 S CB -0.500 62.688 63.200 -0.020 0.000 0.887 1197 S HN 0.379 nan 8.310 nan 0.000 0.447 1198 L N 2.801 124.016 121.223 -0.013 0.000 1.990 1198 L HA -0.125 4.217 4.340 0.004 0.000 0.213 1198 L C 2.138 179.002 176.870 -0.011 0.000 1.072 1198 L CA 2.514 57.346 54.840 -0.014 0.000 0.755 1198 L CB -1.269 40.784 42.059 -0.010 0.000 0.889 1198 L HN 0.380 nan 8.230 nan 0.000 0.432 1199 S N -1.597 114.100 115.700 -0.006 0.000 2.641 1199 S HA -0.115 4.357 4.470 0.004 0.000 0.239 1199 S C 1.326 175.920 174.600 -0.010 0.000 0.972 1199 S CA 1.127 59.322 58.200 -0.008 0.000 0.954 1199 S CB -0.657 62.540 63.200 -0.004 0.000 0.767 1199 S HN 0.733 nan 8.310 nan 0.000 0.539 1200 K N 0.258 120.651 120.400 -0.010 0.000 2.477 1200 K HA 0.245 4.568 4.320 0.004 0.000 0.208 1200 K C -0.072 176.521 176.600 -0.011 0.000 1.117 1200 K CA -0.031 56.250 56.287 -0.010 0.000 1.039 1200 K CB 0.491 32.986 32.500 -0.008 0.000 0.937 1200 K HN 0.304 nan 8.250 nan 0.000 0.570 1201 N N 0.746 119.438 118.700 -0.013 0.000 2.946 1201 N HA 0.140 4.882 4.740 0.004 0.000 0.213 1201 N C -2.680 172.820 175.510 -0.017 0.000 1.440 1201 N CA -1.455 51.587 53.050 -0.014 0.000 0.745 1201 N CB 1.040 39.520 38.487 -0.013 0.000 1.471 1201 N HN -0.278 nan 8.380 nan 0.000 0.569 1202 P HA -0.202 nan 4.420 nan 0.000 0.219 1202 P C 0.225 177.512 177.300 -0.023 0.000 1.159 1202 P CA 1.634 64.720 63.100 -0.023 0.000 0.944 1202 P CB 0.168 31.854 31.700 -0.024 0.000 0.792 1203 D N -0.832 119.557 120.400 -0.019 0.000 2.407 1203 D HA -0.058 4.585 4.640 0.004 0.000 0.234 1203 D C 0.977 177.268 176.300 -0.015 0.000 1.029 1203 D CA 0.190 54.180 54.000 -0.016 0.000 0.937 1203 D CB -0.976 39.816 40.800 -0.013 0.000 0.882 1203 D HN 0.280 nan 8.370 nan 0.000 0.531 1204 I N 2.017 122.577 120.570 -0.017 0.000 2.828 1204 I HA -0.145 4.027 4.170 0.004 0.000 0.292 1204 I C 0.551 176.659 176.117 -0.016 0.000 1.206 1204 I CA 0.110 61.401 61.300 -0.017 0.000 1.420 1204 I CB 0.332 38.320 38.000 -0.020 0.000 1.368 1204 I HN -0.091 nan 8.210 nan 0.000 0.556 1205 S N 7.562 123.255 115.700 -0.012 0.000 2.548 1205 S HA 0.172 4.644 4.470 0.004 0.000 0.277 1205 S C 1.463 176.058 174.600 -0.008 0.000 1.315 1205 S CA -0.941 57.255 58.200 -0.007 0.000 1.050 1205 S CB 1.429 64.627 63.200 -0.002 0.000 0.918 1205 S HN 0.619 nan 8.310 nan 0.000 0.497 1206 I N 1.986 122.556 120.570 -0.001 0.000 2.358 1206 I HA -0.310 3.862 4.170 0.004 0.000 0.257 1206 I C 2.600 178.714 176.117 -0.004 0.000 1.123 1206 I CA 1.821 63.122 61.300 0.001 0.000 1.393 1206 I CB -2.248 35.770 38.000 0.031 0.000 1.073 1206 I HN 0.912 nan 8.210 nan 0.000 0.437 1207 A N 0.179 123.000 122.820 0.002 0.000 1.845 1207 A HA -0.250 4.072 4.320 0.004 0.000 0.215 1207 A C 2.390 179.966 177.584 -0.014 0.000 1.195 1207 A CA 1.781 53.819 52.037 0.002 0.000 0.616 1207 A CB -0.777 18.227 19.000 0.007 0.000 0.832 1207 A HN 0.469 nan 8.150 nan 0.000 0.443 1208 E N -0.218 119.972 120.200 -0.016 0.000 2.118 1208 E HA -0.180 4.172 4.350 0.004 0.000 0.195 1208 E C 1.918 178.495 176.600 -0.038 0.000 0.992 1208 E CA 1.046 57.432 56.400 -0.022 0.000 0.804 1208 E CB -0.243 29.446 29.700 -0.018 0.000 0.741 1208 E HN 0.615 nan 8.360 nan 0.000 0.458 1209 L N 0.091 121.284 121.223 -0.050 0.000 2.127 1209 L HA -0.213 4.129 4.340 0.004 0.000 0.211 1209 L C 2.457 179.259 176.870 -0.112 0.000 1.089 1209 L CA 1.019 55.810 54.840 -0.082 0.000 0.757 1209 L CB -0.330 41.671 42.059 -0.098 0.000 0.899 1209 L HN 0.331 nan 8.230 nan 0.000 0.434 1210 M N -1.083 118.459 119.600 -0.096 0.000 2.619 1210 M HA -0.100 4.383 4.480 0.004 0.000 0.251 1210 M C 1.645 177.907 176.300 -0.062 0.000 1.106 1210 M CA 0.970 56.208 55.300 -0.104 0.000 1.086 1210 M CB -0.222 32.349 32.600 -0.049 0.000 1.465 1210 M HN 0.243 nan 8.290 nan 0.000 0.506 1211 E N 0.845 121.017 120.200 -0.047 0.000 2.051 1211 E HA -0.136 4.216 4.350 0.004 0.000 0.189 1211 E C 1.458 178.038 176.600 -0.033 0.000 0.979 1211 E CA 0.963 57.345 56.400 -0.030 0.000 0.803 1211 E CB 0.066 29.753 29.700 -0.022 0.000 0.761 1211 E HN 0.459 nan 8.360 nan 0.000 0.451 1212 D N 0.572 120.945 120.400 -0.045 0.000 2.149 1212 D HA -0.048 4.594 4.640 0.004 0.000 0.201 1212 D C 0.550 176.817 176.300 -0.056 0.000 0.972 1212 D CA 0.924 54.898 54.000 -0.044 0.000 0.835 1212 D CB 0.247 41.019 40.800 -0.046 0.000 0.966 1212 D HN 0.158 nan 8.370 nan 0.000 0.476 1213 I N 1.530 122.045 120.570 -0.093 0.000 2.388 1213 I HA 0.090 4.262 4.170 0.004 0.000 0.281 1213 I C 1.083 177.136 176.117 -0.106 0.000 1.046 1213 I CA -0.256 60.971 61.300 -0.121 0.000 1.187 1213 I CB 1.479 39.330 38.000 -0.249 0.000 1.351 1213 I HN -0.228 nan 8.210 nan 0.000 0.472 1214 E N 3.800 123.982 120.200 -0.030 0.000 2.006 1214 E HA 0.082 4.434 4.350 0.004 0.000 0.192 1214 E C 1.142 177.799 176.600 0.095 0.000 0.993 1214 E CA 0.846 57.256 56.400 0.016 0.000 0.808 1214 E CB 0.119 29.831 29.700 0.020 0.000 0.764 1214 E HN 0.762 nan 8.360 nan 0.000 0.449 1215 G N -0.340 108.527 108.800 0.111 0.000 2.650 1215 G HA2 0.349 4.311 3.960 0.004 0.000 0.310 1215 G HA3 0.349 4.311 3.960 0.004 0.000 0.310 1215 G C -2.943 171.947 174.900 -0.018 0.000 1.270 1215 G CA -0.970 44.255 45.100 0.210 0.000 0.810 1215 G HN -0.119 nan 8.290 nan 0.000 0.493 1216 P HA 0.385 nan 4.420 nan 0.000 0.276 1216 P C -1.328 175.475 177.300 -0.828 0.000 1.252 1216 P CA -0.198 62.321 63.100 -0.967 0.000 0.802 1216 P CB 1.320 32.242 31.700 -1.296 0.000 1.035 1217 D N 0.768 120.637 120.400 -0.885 0.000 2.389 1217 D HA 0.305 4.948 4.640 0.004 0.000 0.256 1217 D C -1.096 174.778 176.300 -0.710 0.000 1.239 1217 D CA -0.455 53.185 54.000 -0.601 0.000 0.925 1217 D CB -0.128 40.492 40.800 -0.299 0.000 1.145 1217 D HN 0.055 nan 8.370 nan 0.000 0.542 1218 F N 2.928 122.592 119.950 -0.478 0.000 2.412 1218 F HA 0.311 4.840 4.527 0.003 0.000 0.348 1218 F C -1.055 174.550 175.800 -0.326 0.000 1.102 1218 F CA -1.846 55.782 58.000 -0.621 0.000 1.196 1218 F CB 0.664 39.275 39.000 -0.648 0.000 1.144 1218 F HN 0.208 nan 8.300 nan 0.000 0.541 1219 P HA -0.075 nan 4.420 nan 0.000 0.229 1219 P C 1.176 178.518 177.300 0.070 0.000 1.160 1219 P CA 1.062 64.135 63.100 -0.045 0.000 0.777 1219 P CB -0.233 31.441 31.700 -0.043 0.000 0.814 1220 T N -2.650 111.990 114.554 0.144 0.000 3.007 1220 T HA 0.294 4.646 4.350 0.004 0.000 0.270 1220 T C 1.030 175.771 174.700 0.069 0.000 1.107 1220 T CA 0.583 62.762 62.100 0.131 0.000 1.118 1220 T CB -0.736 68.221 68.868 0.149 0.000 0.889 1220 T HN 0.332 nan 8.240 nan 0.000 0.506 1221 A N 0.246 123.103 122.820 0.062 0.000 6.197 1221 A HA 0.373 4.695 4.320 0.004 0.000 0.231 1221 A C 0.751 178.358 177.584 0.038 0.000 2.326 1221 A CA -0.064 51.998 52.037 0.042 0.000 0.698 1221 A CB -1.477 17.537 19.000 0.024 0.000 0.901 1221 A HN 2.239 nan 8.150 nan 0.000 0.349 1222 G N -3.731 105.080 108.800 0.019 0.000 2.483 1222 G HA2 0.524 4.486 3.960 0.004 0.000 0.521 1222 G HA3 0.524 4.486 3.960 0.004 0.000 0.521 1222 G C -1.001 173.901 174.900 0.002 0.000 1.278 1222 G CA 0.092 45.187 45.100 -0.009 0.000 0.965 1222 G HN 2.090 nan 8.290 nan 0.000 0.504 1223 L N -0.390 120.816 121.223 -0.028 0.000 2.371 1223 L HA 0.804 5.146 4.340 0.004 0.000 0.262 1223 L C 0.171 177.029 176.870 -0.021 0.000 1.006 1223 L CA -0.733 54.098 54.840 -0.014 0.000 0.818 1223 L CB 2.151 44.196 42.059 -0.024 0.000 1.354 1223 L HN 0.653 nan 8.230 nan 0.000 0.415 1224 I N 3.034 123.611 120.570 0.011 0.000 2.410 1224 I HA 0.285 4.457 4.170 0.004 0.000 0.286 1224 I C -0.098 176.024 176.117 0.009 0.000 1.009 1224 I CA -0.533 60.778 61.300 0.020 0.000 1.111 1224 I CB 1.664 39.709 38.000 0.075 0.000 1.262 1224 I HN 0.463 nan 8.210 nan 0.000 0.443 1225 L N 6.366 127.584 121.223 -0.008 0.000 2.803 1225 L HA 0.431 4.773 4.340 0.004 0.000 0.241 1225 L C 0.746 177.621 176.870 0.007 0.000 1.404 1225 L CA -0.186 54.649 54.840 -0.009 0.000 1.211 1225 L CB -1.472 40.571 42.059 -0.026 0.000 1.585 1225 L HN 0.946 nan 8.230 nan 0.000 0.430 1226 G N -0.929 107.882 108.800 0.018 0.000 2.484 1226 G HA2 0.044 4.006 3.960 0.004 0.000 0.685 1226 G HA3 0.044 4.006 3.960 0.004 0.000 0.685 1226 G C -0.079 174.843 174.900 0.036 0.000 1.294 1226 G CA -0.363 44.751 45.100 0.025 0.000 0.879 1226 G HN 0.147 nan 8.290 nan 0.000 0.646 1227 K N 0.075 120.501 120.400 0.043 0.000 2.836 1227 K HA 0.514 4.836 4.320 0.004 0.000 0.236 1227 K C 2.054 178.683 176.600 0.049 0.000 1.015 1227 K CA 1.518 57.841 56.287 0.060 0.000 1.194 1227 K CB -0.857 31.684 32.500 0.069 0.000 1.002 1227 K HN 1.800 nan 8.250 nan 0.000 0.479 1228 S N -0.634 115.087 115.700 0.035 0.000 2.436 1228 S HA -0.093 4.379 4.470 0.004 0.000 0.215 1228 S C 2.287 176.899 174.600 0.020 0.000 1.047 1228 S CA 1.311 59.526 58.200 0.025 0.000 1.086 1228 S CB -0.796 62.415 63.200 0.018 0.000 1.072 1228 S HN 0.649 nan 8.310 nan 0.000 0.411 1229 G N 0.210 109.018 108.800 0.013 0.000 2.777 1229 G HA2 0.257 4.219 3.960 0.004 0.000 0.211 1229 G HA3 0.257 4.219 3.960 0.004 0.000 0.211 1229 G C 1.294 176.172 174.900 -0.038 0.000 1.149 1229 G CA -0.009 45.088 45.100 -0.005 0.000 0.785 1229 G HN 0.455 nan 8.290 nan 0.000 0.536 1230 I N 0.136 120.693 120.570 -0.021 0.000 2.194 1230 I HA -0.211 3.961 4.170 0.004 0.000 0.246 1230 I C 2.788 178.862 176.117 -0.072 0.000 1.093 1230 I CA 1.269 62.527 61.300 -0.071 0.000 1.355 1230 I CB -0.056 37.989 38.000 0.075 0.000 1.046 1230 I HN 0.182 nan 8.210 nan 0.000 0.413 1231 R N 0.557 121.086 120.500 0.049 0.000 2.173 1231 R HA -0.084 4.258 4.340 0.004 0.000 0.208 1231 R C 2.363 178.696 176.300 0.056 0.000 1.035 1231 R CA 0.497 56.665 56.100 0.114 0.000 1.004 1231 R CB 0.022 30.383 30.300 0.102 0.000 0.917 1231 R HN 0.178 nan 8.270 nan 0.000 0.462 1232 R N -0.079 120.425 120.500 0.007 0.000 2.189 1232 R HA 0.030 4.372 4.340 0.004 0.000 0.218 1232 R C 1.709 177.989 176.300 -0.033 0.000 1.074 1232 R CA 1.092 57.191 56.100 -0.002 0.000 0.991 1232 R CB 0.016 30.313 30.300 -0.005 0.000 0.883 1232 R HN 0.215 nan 8.270 nan 0.000 0.457 1233 A N 0.135 122.887 122.820 -0.113 0.000 1.826 1233 A HA -0.112 4.210 4.320 0.004 0.000 0.214 1233 A C 1.695 179.195 177.584 -0.140 0.000 1.212 1233 A CA 0.979 52.900 52.037 -0.194 0.000 0.605 1233 A CB -0.885 17.880 19.000 -0.392 0.000 0.861 1233 A HN 0.390 nan 8.150 nan 0.000 0.447 1234 Y N 0.587 120.921 120.300 0.057 0.000 2.224 1234 Y HA -0.135 4.417 4.550 0.003 0.000 0.289 1234 Y C 2.494 178.407 175.900 0.021 0.000 1.146 1234 Y CA 1.158 59.279 58.100 0.035 0.000 1.182 1234 Y CB -0.503 37.975 38.460 0.029 0.000 0.983 1234 Y HN 0.328 nan 8.280 nan 0.000 0.524 1235 E N -0.557 119.738 120.200 0.159 0.000 2.077 1235 E HA -0.167 4.185 4.350 0.004 0.000 0.193 1235 E C 2.074 178.712 176.600 0.063 0.000 0.989 1235 E CA 2.048 58.505 56.400 0.094 0.000 0.800 1235 E CB -0.217 29.524 29.700 0.069 0.000 0.746 1235 E HN 0.562 nan 8.360 nan 0.000 0.452 1236 T N -3.966 110.617 114.554 0.048 0.000 2.975 1236 T HA 0.297 4.649 4.350 0.004 0.000 0.257 1236 T C 1.438 176.155 174.700 0.028 0.000 1.003 1236 T CA 1.066 63.185 62.100 0.031 0.000 0.932 1236 T CB 0.916 69.795 68.868 0.018 0.000 1.087 1236 T HN 0.241 nan 8.240 nan 0.000 0.512 1237 G N 2.221 111.041 108.800 0.033 0.000 2.347 1237 G HA2 -0.261 3.701 3.960 0.004 0.000 0.247 1237 G HA3 -0.261 3.701 3.960 0.004 0.000 0.247 1237 G C 0.290 175.191 174.900 0.002 0.000 1.037 1237 G CA 0.143 45.260 45.100 0.028 0.000 0.622 1237 G HN 0.679 nan 8.290 nan 0.000 0.521 1238 R N 0.879 121.376 120.500 -0.005 0.000 2.312 1238 R HA 0.562 4.904 4.340 0.004 0.000 0.310 1238 R C 0.308 176.594 176.300 -0.023 0.000 1.064 1238 R CA 0.280 56.370 56.100 -0.016 0.000 0.983 1238 R CB 1.300 31.593 30.300 -0.011 0.000 1.139 1238 R HN 0.442 nan 8.270 nan 0.000 0.536 1239 G N -0.098 108.680 108.800 -0.036 0.000 2.798 1239 G HA2 0.412 4.375 3.960 0.004 0.000 0.286 1239 G HA3 0.412 4.375 3.960 0.004 0.000 0.286 1239 G C -1.371 173.513 174.900 -0.026 0.000 1.389 1239 G CA -0.406 44.673 45.100 -0.035 0.000 0.894 1239 G HN 0.270 nan 8.290 nan 0.000 0.488 1240 S N -0.770 114.922 115.700 -0.013 0.000 2.502 1240 S HA 0.692 5.164 4.470 0.004 0.000 0.304 1240 S C -0.848 173.771 174.600 0.031 0.000 1.097 1240 S CA -0.661 57.543 58.200 0.005 0.000 1.045 1240 S CB 0.697 63.894 63.200 -0.005 0.000 1.019 1240 S HN 0.419 nan 8.310 nan 0.000 0.481 1241 I N 4.348 124.969 120.570 0.085 0.000 2.382 1241 I HA 0.321 4.493 4.170 0.004 0.000 0.286 1241 I C -0.330 175.858 176.117 0.120 0.000 1.002 1241 I CA -0.628 60.743 61.300 0.120 0.000 1.135 1241 I CB 1.859 39.975 38.000 0.194 0.000 1.288 1241 I HN 0.495 nan 8.210 nan 0.000 0.448 1242 Q N 7.694 127.529 119.800 0.058 0.000 2.835 1242 Q HA 0.368 4.710 4.340 0.004 0.000 0.235 1242 Q C 0.000 175.981 176.000 -0.032 0.000 1.313 1242 Q CA -0.148 55.661 55.803 0.010 0.000 1.053 1242 Q CB 0.554 29.288 28.738 -0.007 0.000 1.443 1242 Q HN 0.636 nan 8.270 nan 0.000 0.576 1243 M N 0.845 120.406 119.600 -0.066 0.000 1.887 1243 M HA 0.183 4.665 4.480 0.004 0.000 0.205 1243 M C 0.470 176.671 176.300 -0.165 0.000 1.315 1243 M CA 0.566 55.765 55.300 -0.169 0.000 0.919 1243 M CB 0.331 32.726 32.600 -0.340 0.000 1.230 1243 M HN 0.239 nan 8.290 nan 0.000 0.381 1244 R N -0.510 119.879 120.500 -0.186 0.000 4.828 1244 R HA 0.148 4.490 4.340 0.004 0.000 0.253 1244 R C -1.523 174.680 176.300 -0.162 0.000 1.005 1244 R CA -0.148 55.818 56.100 -0.223 0.000 1.405 1244 R CB 0.887 31.007 30.300 -0.300 0.000 1.224 1244 R HN 0.826 nan 8.270 nan 0.000 0.617 1245 S N 2.364 117.993 115.700 -0.118 0.000 2.572 1245 S HA 0.088 4.560 4.470 0.004 0.000 0.267 1245 S C 0.032 174.632 174.600 0.001 0.000 1.361 1245 S CA -0.185 57.995 58.200 -0.032 0.000 1.009 1245 S CB 0.526 63.742 63.200 0.028 0.000 0.888 1245 S HN 0.498 nan 8.310 nan 0.000 0.553 1246 R N 0.798 121.310 120.500 0.019 0.000 2.221 1246 R HA 0.553 4.895 4.340 0.004 0.000 0.327 1246 R C -1.012 175.323 176.300 0.058 0.000 1.033 1246 R CA -0.293 55.827 56.100 0.033 0.000 0.887 1246 R CB 0.294 30.605 30.300 0.019 0.000 1.057 1246 R HN 0.613 nan 8.270 nan 0.000 0.455 1247 A N 4.854 127.724 122.820 0.084 0.000 2.402 1247 A HA 0.495 4.817 4.320 0.004 0.000 0.291 1247 A C -0.991 176.627 177.584 0.057 0.000 1.051 1247 A CA -0.727 51.358 52.037 0.080 0.000 0.716 1247 A CB 1.402 20.478 19.000 0.126 0.000 1.223 1247 A HN 0.532 nan 8.150 nan 0.000 0.425 1248 V N 0.338 120.271 119.914 0.031 0.000 2.881 1248 V HA 0.712 4.834 4.120 0.004 0.000 0.316 1248 V C -0.165 175.932 176.094 0.005 0.000 1.070 1248 V CA -0.781 61.530 62.300 0.019 0.000 0.976 1248 V CB 1.632 33.464 31.823 0.015 0.000 1.038 1248 V HN 0.663 nan 8.190 nan 0.000 0.446 1249 I N 2.432 123.002 120.570 -0.000 0.000 2.502 1249 I HA 0.322 4.494 4.170 0.004 0.000 0.276 1249 I C 0.153 176.267 176.117 -0.006 0.000 1.057 1249 I CA -0.290 61.004 61.300 -0.009 0.000 1.163 1249 I CB 0.879 38.869 38.000 -0.017 0.000 1.288 1249 I HN 0.840 nan 8.210 nan 0.000 0.479 1250 E N 3.424 123.621 120.200 -0.005 0.000 2.289 1250 E HA 0.325 4.677 4.350 0.004 0.000 0.278 1250 E C 0.242 176.839 176.600 -0.006 0.000 1.032 1250 E CA -0.531 55.866 56.400 -0.004 0.000 0.854 1250 E CB 0.799 30.497 29.700 -0.003 0.000 1.046 1250 E HN 0.561 nan 8.360 nan 0.000 0.409 1251 E N 2.764 122.961 120.200 -0.005 0.000 1.800 1251 E HA 0.071 4.423 4.350 0.004 0.000 0.262 1251 E C 1.293 177.890 176.600 -0.006 0.000 1.219 1251 E CA 0.592 56.988 56.400 -0.006 0.000 1.051 1251 E CB -0.669 29.028 29.700 -0.004 0.000 1.074 1251 E HN 0.670 nan 8.360 nan 0.000 0.433 1252 R N 1.135 121.631 120.500 -0.007 0.000 2.119 1252 R HA 0.136 4.479 4.340 0.004 0.000 0.246 1252 R C 1.728 178.025 176.300 -0.006 0.000 1.146 1252 R CA 1.950 58.046 56.100 -0.007 0.000 0.962 1252 R CB -0.779 29.516 30.300 -0.008 0.000 0.863 1252 R HN 2.224 nan 8.270 nan 0.000 0.442 1253 G N -4.035 104.762 108.800 -0.006 0.000 3.071 1253 G HA2 0.527 4.489 3.960 0.004 0.000 0.620 1253 G HA3 0.527 4.489 3.960 0.004 0.000 0.620 1253 G C 0.654 175.550 174.900 -0.005 0.000 1.204 1253 G CA 0.370 45.467 45.100 -0.005 0.000 1.200 1253 G HN 1.711 nan 8.290 nan 0.000 0.530 1254 G N -0.201 108.596 108.800 -0.005 0.000 2.370 1254 G HA2 0.493 4.455 3.960 0.004 0.000 0.174 1254 G HA3 0.493 4.455 3.960 0.004 0.000 0.174 1254 G C 1.789 176.686 174.900 -0.006 0.000 1.002 1254 G CA 1.288 46.385 45.100 -0.006 0.000 0.730 1254 G HN 2.799 nan 8.290 nan 0.000 0.497 1255 G N -1.526 107.270 108.800 -0.006 0.000 2.179 1255 G HA2 0.276 4.238 3.960 0.004 0.000 0.260 1255 G HA3 0.276 4.238 3.960 0.004 0.000 0.260 1255 G C 0.616 175.511 174.900 -0.008 0.000 0.977 1255 G CA 1.625 46.721 45.100 -0.006 0.000 0.641 1255 G HN 1.964 nan 8.290 nan 0.000 0.533 1256 R N -0.463 120.032 120.500 -0.008 0.000 2.691 1256 R HA 0.927 5.269 4.340 0.004 0.000 0.259 1256 R C 0.212 176.505 176.300 -0.011 0.000 1.048 1256 R CA 0.386 56.479 56.100 -0.010 0.000 1.086 1256 R CB 0.435 30.729 30.300 -0.011 0.000 1.166 1256 R HN 0.648 nan 8.270 nan 0.000 0.526 1257 Q N -0.227 119.564 119.800 -0.014 0.000 2.496 1257 Q HA 0.657 5.000 4.340 0.004 0.000 0.286 1257 Q C -0.929 175.060 176.000 -0.017 0.000 1.103 1257 Q CA -1.026 54.768 55.803 -0.015 0.000 0.813 1257 Q CB 2.593 31.321 28.738 -0.017 0.000 1.444 1257 Q HN 0.749 nan 8.270 nan 0.000 0.443 1258 R N 0.128 120.617 120.500 -0.017 0.000 2.522 1258 R HA 0.484 4.826 4.340 0.004 0.000 0.283 1258 R C -1.408 174.881 176.300 -0.020 0.000 1.074 1258 R CA -0.610 55.478 56.100 -0.019 0.000 0.925 1258 R CB 0.510 30.801 30.300 -0.015 0.000 1.205 1258 R HN 0.508 nan 8.270 nan 0.000 0.436 1259 I N 2.233 122.787 120.570 -0.026 0.000 2.779 1259 I HA 0.215 4.387 4.170 0.004 0.000 0.285 1259 I C -0.117 175.991 176.117 -0.016 0.000 1.134 1259 I CA -0.768 60.516 61.300 -0.027 0.000 1.398 1259 I CB 1.314 39.287 38.000 -0.045 0.000 1.404 1259 I HN 0.348 nan 8.210 nan 0.000 0.587 1260 V N 5.604 125.514 119.914 -0.006 0.000 2.516 1260 V HA 0.132 4.254 4.120 0.004 0.000 0.271 1260 V C -0.268 175.831 176.094 0.008 0.000 0.992 1260 V CA -0.753 61.546 62.300 -0.002 0.000 0.857 1260 V CB 1.141 32.963 31.823 -0.002 0.000 1.047 1260 V HN 0.475 nan 8.190 nan 0.000 0.455 1261 V N 2.623 122.542 119.914 0.009 0.000 2.381 1261 V HA 0.170 4.292 4.120 0.004 0.000 0.257 1261 V C 1.426 177.525 176.094 0.008 0.000 1.057 1261 V CA 0.604 62.915 62.300 0.019 0.000 1.013 1261 V CB 0.080 31.915 31.823 0.021 0.000 1.069 1261 V HN 0.944 nan 8.190 nan 0.000 0.484 1262 T N 1.219 115.780 114.554 0.011 0.000 3.037 1262 T HA 0.284 4.636 4.350 0.004 0.000 0.251 1262 T C 0.375 175.076 174.700 0.003 0.000 1.079 1262 T CA 0.026 62.128 62.100 0.004 0.000 1.067 1262 T CB 0.235 69.108 68.868 0.007 0.000 0.948 1262 T HN 0.694 nan 8.240 nan 0.000 0.496 1263 E N 0.655 120.859 120.200 0.006 0.000 2.366 1263 E HA 0.655 5.007 4.350 0.004 0.000 0.278 1263 E C -1.019 175.579 176.600 -0.003 0.000 0.923 1263 E CA -1.007 55.394 56.400 0.002 0.000 0.761 1263 E CB 2.775 32.478 29.700 0.005 0.000 1.231 1263 E HN 0.422 nan 8.360 nan 0.000 0.443 1264 I N -2.415 118.149 120.570 -0.010 0.000 3.264 1264 I HA 0.737 4.909 4.170 0.004 0.000 0.309 1264 I C -2.747 173.347 176.117 -0.040 0.000 1.099 1264 I CA -2.936 58.352 61.300 -0.021 0.000 0.989 1264 I CB 1.938 39.924 38.000 -0.023 0.000 1.250 1264 I HN 0.207 nan 8.210 nan 0.000 0.478 1265 P HA 0.187 nan 4.420 nan 0.000 0.278 1265 P C -0.784 176.481 177.300 -0.058 0.000 1.238 1265 P CA -0.077 62.954 63.100 -0.116 0.000 0.794 1265 P CB 0.302 31.934 31.700 -0.113 0.000 0.955 1266 F N 2.584 122.321 119.950 -0.356 0.000 2.628 1266 F HA -0.056 4.473 4.527 0.003 0.000 0.362 1266 F C 1.484 177.237 175.800 -0.079 0.000 1.148 1266 F CA 0.659 58.510 58.000 -0.247 0.000 1.352 1266 F CB -0.285 38.376 39.000 -0.566 0.000 1.081 1266 F HN 0.540 nan 8.300 nan 0.000 0.605 1267 Q N 0.513 119.930 119.800 -0.638 0.000 2.426 1267 Q HA -0.204 4.138 4.340 0.004 0.000 0.254 1267 Q C -0.791 175.096 176.000 -0.189 0.000 1.017 1267 Q CA 0.652 56.149 55.803 -0.510 0.000 1.083 1267 Q CB -1.394 26.945 28.738 -0.666 0.000 1.552 1267 Q HN 0.387 nan 8.270 nan 0.000 0.532 1268 V N 0.394 120.245 119.914 -0.105 0.000 2.966 1268 V HA 0.423 4.545 4.120 0.004 0.000 0.317 1268 V C 0.326 176.396 176.094 -0.040 0.000 1.070 1268 V CA -0.840 61.424 62.300 -0.060 0.000 1.008 1268 V CB 1.906 33.699 31.823 -0.051 0.000 1.070 1268 V HN 0.178 nan 8.190 nan 0.000 0.457 1269 N N 1.386 120.065 118.700 -0.036 0.000 2.417 1269 N HA 0.273 5.015 4.740 0.004 0.000 0.274 1269 N C 0.484 175.968 175.510 -0.044 0.000 0.987 1269 N CA -0.382 52.646 53.050 -0.037 0.000 0.912 1269 N CB 1.788 40.261 38.487 -0.023 0.000 1.177 1269 N HN 0.730 nan 8.380 nan 0.000 0.490 1270 K N 3.082 123.443 120.400 -0.066 0.000 2.001 1270 K HA -0.004 4.319 4.320 0.004 0.000 0.208 1270 K C 1.422 177.994 176.600 -0.046 0.000 1.048 1270 K CA 1.538 57.788 56.287 -0.063 0.000 0.932 1270 K CB -0.109 32.336 32.500 -0.091 0.000 0.715 1270 K HN 0.539 nan 8.250 nan 0.000 0.437 1271 A N 0.900 123.692 122.820 -0.047 0.000 2.121 1271 A HA -0.088 4.234 4.320 0.004 0.000 0.218 1271 A C 2.038 179.609 177.584 -0.021 0.000 1.154 1271 A CA 1.092 53.109 52.037 -0.033 0.000 0.679 1271 A CB -0.388 18.593 19.000 -0.031 0.000 0.795 1271 A HN 0.367 nan 8.150 nan 0.000 0.458 1272 R N -1.138 119.350 120.500 -0.021 0.000 2.128 1272 R HA 0.128 4.470 4.340 0.004 0.000 0.211 1272 R C 2.137 178.429 176.300 -0.013 0.000 1.067 1272 R CA 0.964 57.056 56.100 -0.014 0.000 1.010 1272 R CB -0.249 30.044 30.300 -0.012 0.000 0.922 1272 R HN 0.581 nan 8.270 nan 0.000 0.457 1273 M N 0.610 120.201 119.600 -0.016 0.000 2.117 1273 M HA -0.159 4.323 4.480 0.004 0.000 0.262 1273 M C 1.696 177.991 176.300 -0.008 0.000 1.065 1273 M CA 1.761 57.055 55.300 -0.010 0.000 1.114 1273 M CB -0.050 32.544 32.600 -0.011 0.000 1.361 1273 M HN 0.169 nan 8.290 nan 0.000 0.408 1274 I N 0.076 120.638 120.570 -0.013 0.000 2.361 1274 I HA -0.240 3.932 4.170 0.004 0.000 0.251 1274 I C 2.314 178.425 176.117 -0.010 0.000 1.133 1274 I CA 1.168 62.460 61.300 -0.013 0.000 1.413 1274 I CB -0.534 37.456 38.000 -0.017 0.000 1.073 1274 I HN 0.371 nan 8.210 nan 0.000 0.424 1275 E N 1.659 121.854 120.200 -0.009 0.000 2.107 1275 E HA -0.153 4.200 4.350 0.004 0.000 0.191 1275 E C 1.943 178.540 176.600 -0.005 0.000 0.982 1275 E CA 1.346 57.742 56.400 -0.006 0.000 0.809 1275 E CB -0.038 29.659 29.700 -0.005 0.000 0.756 1275 E HN 0.272 nan 8.360 nan 0.000 0.459 1276 K N -0.110 120.288 120.400 -0.005 0.000 2.442 1276 K HA -0.013 4.309 4.320 0.004 0.000 0.198 1276 K C 1.865 178.464 176.600 -0.003 0.000 1.042 1276 K CA 0.725 57.011 56.287 -0.003 0.000 0.958 1276 K CB 0.014 32.513 32.500 -0.002 0.000 0.766 1276 K HN 0.258 nan 8.250 nan 0.000 0.474 1277 I N 0.481 121.048 120.570 -0.005 0.000 2.296 1277 I HA -0.147 4.025 4.170 0.004 0.000 0.242 1277 I C 2.345 178.457 176.117 -0.008 0.000 1.087 1277 I CA 0.664 61.959 61.300 -0.007 0.000 1.393 1277 I CB -0.357 37.638 38.000 -0.009 0.000 1.093 1277 I HN 0.043 nan 8.210 nan 0.000 0.421 1278 A N 0.116 122.931 122.820 -0.008 0.000 2.139 1278 A HA -0.249 4.073 4.320 0.004 0.000 0.221 1278 A C 2.203 179.783 177.584 -0.006 0.000 1.159 1278 A CA 1.774 53.806 52.037 -0.007 0.000 0.662 1278 A CB -0.620 18.377 19.000 -0.006 0.000 0.796 1278 A HN 0.511 nan 8.150 nan 0.000 0.463 1279 E N -0.666 119.531 120.200 -0.005 0.000 2.102 1279 E HA 0.037 4.389 4.350 0.004 0.000 0.190 1279 E C 1.876 178.473 176.600 -0.005 0.000 0.971 1279 E CA 0.225 56.623 56.400 -0.004 0.000 0.821 1279 E CB -0.090 29.608 29.700 -0.003 0.000 0.777 1279 E HN 0.622 nan 8.360 nan 0.000 0.460 1280 L N 0.436 121.656 121.223 -0.006 0.000 2.046 1280 L HA -0.186 4.156 4.340 0.004 0.000 0.208 1280 L C 2.387 179.252 176.870 -0.009 0.000 1.077 1280 L CA 0.793 55.629 54.840 -0.007 0.000 0.747 1280 L CB -0.158 41.897 42.059 -0.008 0.000 0.896 1280 L HN 0.114 nan 8.230 nan 0.000 0.432 1281 V N -0.318 119.590 119.914 -0.010 0.000 2.358 1281 V HA -0.280 3.842 4.120 0.004 0.000 0.246 1281 V C 2.450 178.539 176.094 -0.008 0.000 1.047 1281 V CA 1.807 64.101 62.300 -0.011 0.000 1.035 1281 V CB -0.610 31.206 31.823 -0.012 0.000 0.658 1281 V HN 0.454 nan 8.190 nan 0.000 0.452 1282 R N -0.431 120.065 120.500 -0.006 0.000 2.323 1282 R HA -0.075 4.267 4.340 0.004 0.000 0.198 1282 R C 0.888 177.185 176.300 -0.004 0.000 0.988 1282 R CA 0.973 57.070 56.100 -0.005 0.000 1.041 1282 R CB 0.023 30.321 30.300 -0.003 0.000 0.926 1282 R HN 0.419 nan 8.270 nan 0.000 0.476 1283 D N -0.552 119.845 120.400 -0.005 0.000 2.469 1283 D HA 0.123 4.765 4.640 0.004 0.000 0.215 1283 D C 0.770 177.067 176.300 -0.005 0.000 1.154 1283 D CA 0.845 54.843 54.000 -0.004 0.000 0.832 1283 D CB 1.293 42.090 40.800 -0.004 0.000 1.008 1283 D HN 0.226 nan 8.370 nan 0.000 0.506 1284 K N 0.510 120.906 120.400 -0.006 0.000 3.596 1284 K HA -0.350 3.972 4.320 0.004 0.000 0.295 1284 K C 1.444 178.040 176.600 -0.007 0.000 1.230 1284 K CA 1.867 58.150 56.287 -0.006 0.000 1.029 1284 K CB -2.547 29.950 32.500 -0.005 0.000 1.303 1284 K HN 0.320 nan 8.250 nan 0.000 0.442 1285 K N -0.780 119.616 120.400 -0.006 0.000 2.442 1285 K HA 0.252 4.574 4.320 0.004 0.000 0.198 1285 K C 0.897 177.492 176.600 -0.009 0.000 1.044 1285 K CA 1.283 57.566 56.287 -0.006 0.000 0.948 1285 K CB -0.215 32.282 32.500 -0.005 0.000 0.762 1285 K HN 0.744 nan 8.250 nan 0.000 0.472 1286 I N 0.317 120.881 120.570 -0.011 0.000 3.074 1286 I HA 0.129 4.301 4.170 0.004 0.000 0.310 1286 I C -1.672 174.436 176.117 -0.015 0.000 1.153 1286 I CA -0.935 60.356 61.300 -0.015 0.000 0.993 1286 I CB 2.286 40.275 38.000 -0.018 0.000 1.237 1286 I HN 0.013 nan 8.210 nan 0.000 0.443 1287 D N 2.043 122.432 120.400 -0.019 0.000 2.639 1287 D HA 0.518 5.160 4.640 0.004 0.000 0.271 1287 D C 0.099 176.386 176.300 -0.022 0.000 1.254 1287 D CA 0.166 54.156 54.000 -0.018 0.000 0.810 1287 D CB 1.405 42.196 40.800 -0.015 0.000 1.351 1287 D HN 0.792 nan 8.370 nan 0.000 0.427 1288 G N -0.743 108.045 108.800 -0.020 0.000 2.213 1288 G HA2 -0.184 3.778 3.960 0.004 0.000 0.226 1288 G HA3 -0.184 3.778 3.960 0.004 0.000 0.226 1288 G C 0.244 175.130 174.900 -0.024 0.000 0.992 1288 G CA 0.202 45.289 45.100 -0.022 0.000 0.632 1288 G HN 0.622 nan 8.290 nan 0.000 0.511 1289 I N 0.626 121.182 120.570 -0.023 0.000 3.110 1289 I HA 0.599 4.771 4.170 0.004 0.000 0.314 1289 I C 1.698 177.804 176.117 -0.019 0.000 1.020 1289 I CA 0.404 61.690 61.300 -0.023 0.000 1.169 1289 I CB 1.516 39.501 38.000 -0.024 0.000 1.437 1289 I HN 0.338 nan 8.210 nan 0.000 0.595 1290 T N -2.689 111.855 114.554 -0.018 0.000 3.545 1290 T HA 0.139 4.491 4.350 0.004 0.000 0.274 1290 T C -0.309 174.383 174.700 -0.014 0.000 0.989 1290 T CA -0.143 61.948 62.100 -0.015 0.000 1.129 1290 T CB 0.309 69.169 68.868 -0.014 0.000 1.165 1290 T HN 0.551 nan 8.240 nan 0.000 0.436 1291 D N 0.308 120.699 120.400 -0.014 0.000 2.671 1291 D HA 0.650 5.292 4.640 0.004 0.000 0.232 1291 D C -1.514 174.777 176.300 -0.015 0.000 1.114 1291 D CA -0.643 53.349 54.000 -0.013 0.000 0.858 1291 D CB 2.282 43.074 40.800 -0.012 0.000 1.544 1291 D HN 0.393 nan 8.370 nan 0.000 0.471 1292 L N 2.186 123.401 121.223 -0.014 0.000 2.371 1292 L HA 0.744 5.086 4.340 0.004 0.000 0.262 1292 L C -1.443 175.418 176.870 -0.014 0.000 1.006 1292 L CA -0.401 54.430 54.840 -0.015 0.000 0.818 1292 L CB 1.758 43.808 42.059 -0.015 0.000 1.354 1292 L HN 0.583 nan 8.230 nan 0.000 0.415 1293 R N 2.002 122.492 120.500 -0.016 0.000 2.563 1293 R HA 0.291 4.633 4.340 0.004 0.000 0.262 1293 R C -1.903 174.384 176.300 -0.021 0.000 1.128 1293 R CA -0.835 55.255 56.100 -0.017 0.000 0.969 1293 R CB 1.581 31.871 30.300 -0.016 0.000 1.251 1293 R HN 0.620 nan 8.270 nan 0.000 0.442 1294 D N 2.195 122.581 120.400 -0.024 0.000 2.443 1294 D HA 0.100 4.742 4.640 0.004 0.000 0.221 1294 D C -0.226 176.051 176.300 -0.038 0.000 1.097 1294 D CA -0.173 53.808 54.000 -0.031 0.000 0.865 1294 D CB 0.945 41.724 40.800 -0.035 0.000 1.034 1294 D HN 0.442 nan 8.370 nan 0.000 0.511 1295 E N 2.545 122.723 120.200 -0.037 0.000 2.511 1295 E HA 0.115 4.467 4.350 0.004 0.000 0.214 1295 E C -0.124 176.446 176.600 -0.050 0.000 1.062 1295 E CA -0.240 56.136 56.400 -0.041 0.000 1.213 1295 E CB 0.459 30.140 29.700 -0.031 0.000 1.214 1295 E HN 0.383 nan 8.360 nan 0.000 0.441 1296 T N 1.114 115.633 114.554 -0.060 0.000 2.899 1296 T HA 0.256 4.609 4.350 0.004 0.000 0.295 1296 T C 0.584 175.233 174.700 -0.085 0.000 1.033 1296 T CA -0.201 61.859 62.100 -0.066 0.000 1.084 1296 T CB 1.232 70.056 68.868 -0.073 0.000 0.979 1296 T HN 0.282 nan 8.240 nan 0.000 0.532 1297 S N 0.973 116.626 115.700 -0.078 0.000 3.287 1297 S HA 0.480 4.952 4.470 0.004 0.000 0.324 1297 S C 0.615 175.176 174.600 -0.063 0.000 1.205 1297 S CA -0.960 57.183 58.200 -0.096 0.000 1.020 1297 S CB 0.484 63.620 63.200 -0.107 0.000 1.398 1297 S HN 0.406 nan 8.310 nan 0.000 0.679 1298 L N 0.439 121.631 121.223 -0.052 0.000 2.316 1298 L HA 0.255 4.598 4.340 0.004 0.000 0.207 1298 L C 2.660 179.526 176.870 -0.006 0.000 1.070 1298 L CA 0.332 55.162 54.840 -0.018 0.000 0.820 1298 L CB -0.460 41.599 42.059 -0.000 0.000 0.992 1298 L HN 0.494 nan 8.230 nan 0.000 0.466 1299 R N 0.210 120.705 120.500 -0.009 0.000 2.082 1299 R HA -0.127 4.216 4.340 0.004 0.000 0.234 1299 R C 2.204 178.503 176.300 -0.003 0.000 1.136 1299 R CA 2.295 58.397 56.100 0.002 0.000 0.935 1299 R CB -1.514 28.790 30.300 0.006 0.000 0.842 1299 R HN 0.291 nan 8.270 nan 0.000 0.430 1300 T N -1.135 113.411 114.554 -0.014 0.000 2.739 1300 T HA 0.324 4.677 4.350 0.004 0.000 0.249 1300 T C 1.046 175.738 174.700 -0.015 0.000 1.050 1300 T CA 0.783 62.875 62.100 -0.014 0.000 1.165 1300 T CB -0.686 68.168 68.868 -0.023 0.000 0.872 1300 T HN 0.583 nan 8.240 nan 0.000 0.411 1301 G N 0.732 109.517 108.800 -0.025 0.000 2.712 1301 G HA2 -0.085 3.877 3.960 0.004 0.000 0.683 1301 G HA3 -0.085 3.877 3.960 0.004 0.000 0.683 1301 G C -0.343 174.537 174.900 -0.033 0.000 1.320 1301 G CA -0.857 44.227 45.100 -0.026 0.000 0.847 1301 G HN 0.919 nan 8.290 nan 0.000 0.553 1302 V N -0.017 119.874 119.914 -0.038 0.000 3.099 1302 V HA -0.050 4.072 4.120 0.004 0.000 0.268 1302 V C 1.211 177.289 176.094 -0.027 0.000 0.988 1302 V CA 2.085 64.362 62.300 -0.039 0.000 1.157 1302 V CB -0.906 30.898 31.823 -0.033 0.000 0.771 1302 V HN 0.920 nan 8.190 nan 0.000 0.439 1303 R N 4.002 124.484 120.500 -0.031 0.000 2.487 1303 R HA 0.480 4.822 4.340 0.004 0.000 0.288 1303 R C -1.052 175.233 176.300 -0.025 0.000 1.394 1303 R CA -0.582 55.504 56.100 -0.023 0.000 1.155 1303 R CB 1.471 31.758 30.300 -0.022 0.000 1.156 1303 R HN 0.485 nan 8.270 nan 0.000 0.553 1304 V N 5.311 125.213 119.914 -0.020 0.000 2.313 1304 V HA 0.147 4.269 4.120 0.004 0.000 0.252 1304 V C 0.396 176.481 176.094 -0.015 0.000 1.112 1304 V CA -0.598 61.690 62.300 -0.019 0.000 0.984 1304 V CB 0.855 32.668 31.823 -0.015 0.000 1.157 1304 V HN 0.378 nan 8.190 nan 0.000 0.493 1305 V N 6.866 126.770 119.914 -0.017 0.000 2.508 1305 V HA 0.314 4.437 4.120 0.004 0.000 0.281 1305 V C 0.166 176.250 176.094 -0.017 0.000 1.041 1305 V CA 0.087 62.377 62.300 -0.016 0.000 1.016 1305 V CB 0.728 32.542 31.823 -0.015 0.000 0.984 1305 V HN 0.657 nan 8.190 nan 0.000 0.478 1306 I N 3.462 124.021 120.570 -0.019 0.000 2.436 1306 I HA 0.502 4.674 4.170 0.004 0.000 0.289 1306 I C -0.874 175.230 176.117 -0.022 0.000 1.010 1306 I CA -0.666 60.621 61.300 -0.022 0.000 1.098 1306 I CB 1.897 39.880 38.000 -0.027 0.000 1.266 1306 I HN 0.422 nan 8.210 nan 0.000 0.434 1307 D N 4.795 125.182 120.400 -0.020 0.000 2.175 1307 D HA 0.591 5.233 4.640 0.004 0.000 0.248 1307 D C -0.597 175.691 176.300 -0.021 0.000 1.047 1307 D CA -0.077 53.911 54.000 -0.019 0.000 0.883 1307 D CB 2.422 43.212 40.800 -0.016 0.000 1.180 1307 D HN 0.118 nan 8.370 nan 0.000 0.438 1308 V N 1.927 121.829 119.914 -0.020 0.000 2.769 1308 V HA 0.431 4.553 4.120 0.004 0.000 0.312 1308 V C 0.188 176.272 176.094 -0.017 0.000 1.061 1308 V CA -0.984 61.303 62.300 -0.021 0.000 0.931 1308 V CB 2.095 33.903 31.823 -0.025 0.000 1.010 1308 V HN 0.405 nan 8.190 nan 0.000 0.433 1309 R N 2.182 122.672 120.500 -0.017 0.000 2.543 1309 R HA 0.242 4.584 4.340 0.004 0.000 0.277 1309 R C 0.288 176.580 176.300 -0.014 0.000 1.074 1309 R CA -0.362 55.729 56.100 -0.014 0.000 1.076 1309 R CB 0.479 30.771 30.300 -0.014 0.000 0.993 1309 R HN 0.676 nan 8.270 nan 0.000 0.459 1310 K N 2.542 122.935 120.400 -0.012 0.000 2.524 1310 K HA -0.154 4.168 4.320 0.004 0.000 0.279 1310 K C -0.609 175.984 176.600 -0.011 0.000 0.993 1310 K CA 0.983 57.264 56.287 -0.011 0.000 1.030 1310 K CB 0.263 32.758 32.500 -0.009 0.000 0.891 1310 K HN 0.717 nan 8.250 nan 0.000 0.488 1311 D N 0.141 120.535 120.400 -0.011 0.000 2.911 1311 D HA -0.218 4.425 4.640 0.004 0.000 0.227 1311 D C -0.930 175.362 176.300 -0.013 0.000 1.164 1311 D CA 1.390 55.383 54.000 -0.011 0.000 0.782 1311 D CB -1.065 39.729 40.800 -0.009 0.000 1.094 1311 D HN 0.588 nan 8.370 nan 0.000 0.425 1312 A N 0.349 123.160 122.820 -0.015 0.000 2.290 1312 A HA 0.462 4.784 4.320 0.004 0.000 0.310 1312 A C 0.512 178.083 177.584 -0.021 0.000 1.202 1312 A CA -0.477 51.550 52.037 -0.018 0.000 0.837 1312 A CB 0.677 19.665 19.000 -0.019 0.000 1.139 1312 A HN 0.133 nan 8.150 nan 0.000 0.509 1313 N N 2.300 120.987 118.700 -0.021 0.000 2.406 1313 N HA 0.178 4.920 4.740 0.004 0.000 0.269 1313 N C 1.165 176.656 175.510 -0.032 0.000 1.210 1313 N CA 0.560 53.596 53.050 -0.023 0.000 0.966 1313 N CB 1.039 39.514 38.487 -0.020 0.000 1.293 1313 N HN 0.680 nan 8.380 nan 0.000 0.491 1314 A N 2.573 125.373 122.820 -0.034 0.000 1.969 1314 A HA -0.084 4.238 4.320 0.004 0.000 0.218 1314 A C 1.998 179.545 177.584 -0.062 0.000 1.169 1314 A CA 1.147 53.155 52.037 -0.047 0.000 0.635 1314 A CB -0.125 18.850 19.000 -0.041 0.000 0.810 1314 A HN 0.603 nan 8.150 nan 0.000 0.445 1315 S N -0.584 115.088 115.700 -0.047 0.000 2.595 1315 S HA 0.023 4.495 4.470 0.004 0.000 0.235 1315 S C 1.221 175.787 174.600 -0.058 0.000 0.974 1315 S CA 1.172 59.343 58.200 -0.049 0.000 0.942 1315 S CB -0.070 63.115 63.200 -0.025 0.000 0.766 1315 S HN 0.415 nan 8.310 nan 0.000 0.536 1316 V N -0.269 119.609 119.914 -0.059 0.000 3.612 1316 V HA 0.239 4.361 4.120 0.004 0.000 0.268 1316 V C 1.689 177.736 176.094 -0.078 0.000 1.365 1316 V CA -0.009 62.257 62.300 -0.057 0.000 1.044 1316 V CB -0.287 31.515 31.823 -0.035 0.000 0.820 1316 V HN 0.396 nan 8.190 nan 0.000 0.444 1317 I N 0.333 120.850 120.570 -0.088 0.000 2.202 1317 I HA -0.211 3.961 4.170 0.004 0.000 0.242 1317 I C 2.374 178.402 176.117 -0.147 0.000 1.091 1317 I CA 1.853 63.097 61.300 -0.094 0.000 1.368 1317 I CB -0.067 37.884 38.000 -0.081 0.000 1.058 1317 I HN 0.342 nan 8.210 nan 0.000 0.410 1318 L N 1.006 122.096 121.223 -0.221 0.000 2.072 1318 L HA -0.130 4.212 4.340 0.004 0.000 0.205 1318 L C 2.023 178.574 176.870 -0.532 0.000 1.079 1318 L CA 1.778 56.362 54.840 -0.428 0.000 0.752 1318 L CB -0.611 41.150 42.059 -0.497 0.000 0.906 1318 L HN 0.141 nan 8.230 nan 0.000 0.436 1319 N N 0.279 118.793 118.700 -0.311 0.000 2.289 1319 N HA -0.158 4.585 4.740 0.004 0.000 0.184 1319 N C 1.380 176.857 175.510 -0.054 0.000 1.016 1319 N CA 1.112 54.078 53.050 -0.140 0.000 0.872 1319 N CB -0.456 38.003 38.487 -0.047 0.000 0.973 1319 N HN 0.393 nan 8.380 nan 0.000 0.433 1320 N N -0.138 118.516 118.700 -0.076 0.000 2.424 1320 N HA 0.131 4.873 4.740 0.004 0.000 0.178 1320 N C 1.323 176.818 175.510 -0.025 0.000 1.060 1320 N CA 0.165 53.195 53.050 -0.033 0.000 0.901 1320 N CB 0.133 38.601 38.487 -0.031 0.000 0.979 1320 N HN 0.254 nan 8.380 nan 0.000 0.451 1321 L N -0.736 120.442 121.223 -0.075 0.000 2.446 1321 L HA 0.036 4.378 4.340 0.004 0.000 0.219 1321 L C 1.301 178.228 176.870 0.096 0.000 1.116 1321 L CA 0.378 55.200 54.840 -0.031 0.000 0.844 1321 L CB -0.089 41.918 42.059 -0.088 0.000 0.970 1321 L HN 0.099 nan 8.230 nan 0.000 0.457 1322 Y N 0.502 120.796 120.300 -0.010 0.000 2.314 1322 Y HA -0.109 4.443 4.550 0.004 0.000 0.293 1322 Y C 2.332 178.226 175.900 -0.010 0.000 1.129 1322 Y CA 0.615 58.708 58.100 -0.011 0.000 1.201 1322 Y CB -0.169 38.285 38.460 -0.009 0.000 0.999 1322 Y HN 0.126 nan 8.280 nan 0.000 0.541 1323 K N -0.511 119.981 120.400 0.154 0.000 2.172 1323 K HA 0.031 4.354 4.320 0.004 0.000 0.203 1323 K C 1.401 178.031 176.600 0.050 0.000 1.040 1323 K CA 0.457 56.792 56.287 0.080 0.000 0.974 1323 K CB -0.085 32.451 32.500 0.060 0.000 0.857 1323 K HN 0.222 nan 8.250 nan 0.000 0.464 1324 Q N 1.220 121.043 119.800 0.040 0.000 2.329 1324 Q HA 0.022 4.364 4.340 0.004 0.000 0.208 1324 Q C -0.561 175.453 176.000 0.022 0.000 0.934 1324 Q CA 0.450 56.266 55.803 0.022 0.000 0.951 1324 Q CB 0.296 29.040 28.738 0.010 0.000 1.017 1324 Q HN 0.268 nan 8.270 nan 0.000 0.490 1325 T N -4.102 110.475 114.554 0.038 0.000 2.886 1325 T HA 0.194 4.546 4.350 0.004 0.000 0.330 1325 T C -2.908 171.817 174.700 0.042 0.000 1.488 1325 T CA -1.575 60.545 62.100 0.033 0.000 1.054 1325 T CB 1.438 70.322 68.868 0.027 0.000 1.348 1325 T HN -0.321 nan 8.240 nan 0.000 0.489 1326 P HA 0.084 nan 4.420 nan 0.000 0.288 1326 P C 1.122 178.437 177.300 0.024 0.000 1.448 1326 P CA -0.118 62.989 63.100 0.012 0.000 0.764 1326 P CB -0.301 31.398 31.700 -0.002 0.000 1.472 1327 L N -0.932 120.331 121.223 0.066 0.000 2.275 1327 L HA -0.024 4.318 4.340 0.004 0.000 0.215 1327 L C 0.829 177.748 176.870 0.083 0.000 1.119 1327 L CA 1.661 56.569 54.840 0.113 0.000 0.790 1327 L CB -0.431 41.750 42.059 0.204 0.000 0.919 1327 L HN 0.041 nan 8.230 nan 0.000 0.443 1328 Q N -1.259 118.560 119.800 0.030 0.000 2.379 1328 Q HA 0.423 4.765 4.340 0.004 0.000 0.278 1328 Q C -1.416 174.553 176.000 -0.051 0.000 1.068 1328 Q CA -0.590 55.165 55.803 -0.079 0.000 0.816 1328 Q CB 2.113 30.729 28.738 -0.203 0.000 1.387 1328 Q HN 0.052 nan 8.270 nan 0.000 0.413 1329 T N 1.156 115.668 114.554 -0.070 0.000 2.894 1329 T HA 0.443 4.795 4.350 0.004 0.000 0.309 1329 T C -1.152 173.528 174.700 -0.034 0.000 1.208 1329 T CA -0.463 61.611 62.100 -0.043 0.000 1.016 1329 T CB 1.648 70.494 68.868 -0.036 0.000 1.192 1329 T HN 0.689 nan 8.240 nan 0.000 0.491 1330 S N 1.462 117.160 115.700 -0.003 0.000 2.654 1330 S HA 0.791 5.263 4.470 0.004 0.000 0.283 1330 S C -0.957 173.712 174.600 0.114 0.000 1.180 1330 S CA -0.629 57.592 58.200 0.034 0.000 1.021 1330 S CB 0.938 64.145 63.200 0.011 0.000 1.018 1330 S HN 0.502 nan 8.310 nan 0.000 0.532 1331 F N 1.460 121.403 119.950 -0.012 0.000 2.402 1331 F HA 0.611 5.140 4.527 0.004 0.000 0.355 1331 F C 0.614 176.433 175.800 0.033 0.000 1.123 1331 F CA -0.695 57.331 58.000 0.043 0.000 1.021 1331 F CB 1.234 40.329 39.000 0.159 0.000 1.160 1331 F HN 0.867 nan 8.300 nan 0.000 0.451 1332 G N 6.087 114.678 108.800 -0.348 0.000 2.977 1332 G HA2 0.397 4.359 3.960 0.004 0.000 0.306 1332 G HA3 0.397 4.359 3.960 0.004 0.000 0.306 1332 G C -0.596 174.145 174.900 -0.264 0.000 0.885 1332 G CA -0.434 44.527 45.100 -0.232 0.000 1.649 1332 G HN 0.513 nan 8.290 nan 0.000 0.514 1333 V N 1.981 121.822 119.914 -0.122 0.000 2.539 1333 V HA -0.033 4.089 4.120 0.004 0.000 0.300 1333 V C 0.688 176.746 176.094 -0.060 0.000 1.019 1333 V CA 0.302 62.573 62.300 -0.050 0.000 1.160 1333 V CB 0.263 32.099 31.823 0.022 0.000 0.901 1333 V HN 0.759 nan 8.190 nan 0.000 0.481 1334 N N 5.367 124.035 118.700 -0.053 0.000 2.617 1334 N HA 0.372 5.114 4.740 0.004 0.000 0.263 1334 N C -0.311 175.196 175.510 -0.006 0.000 1.074 1334 N CA -0.641 52.389 53.050 -0.033 0.000 0.841 1334 N CB 0.723 39.181 38.487 -0.049 0.000 1.221 1334 N HN 0.653 nan 8.380 nan 0.000 0.529 1335 M N 4.796 124.402 119.600 0.010 0.000 3.586 1335 M HA 0.256 4.738 4.480 0.004 0.000 0.225 1335 M C -0.529 175.779 176.300 0.013 0.000 1.428 1335 M CA 0.109 55.424 55.300 0.026 0.000 1.613 1335 M CB -0.378 32.249 32.600 0.046 0.000 1.063 1335 M HN 0.378 nan 8.290 nan 0.000 0.593 1336 I N 1.619 122.189 120.570 0.001 0.000 2.312 1336 I HA 0.553 4.726 4.170 0.004 0.000 0.290 1336 I C 0.116 176.222 176.117 -0.019 0.000 1.008 1336 I CA -0.403 60.892 61.300 -0.009 0.000 1.226 1336 I CB 1.132 39.124 38.000 -0.014 0.000 1.371 1336 I HN 0.481 nan 8.210 nan 0.000 0.468 1337 A N 6.729 129.533 122.820 -0.028 0.000 2.569 1337 A HA 0.738 5.060 4.320 0.004 0.000 0.290 1337 A C -0.963 176.581 177.584 -0.067 0.000 1.136 1337 A CA -0.654 51.355 52.037 -0.047 0.000 0.710 1337 A CB 1.441 20.411 19.000 -0.050 0.000 1.303 1337 A HN 0.615 nan 8.150 nan 0.000 0.413 1338 L N 1.697 122.872 121.223 -0.081 0.000 2.356 1338 L HA 0.295 4.637 4.340 0.004 0.000 0.282 1338 L C -0.862 175.930 176.870 -0.131 0.000 1.132 1338 L CA -0.351 54.434 54.840 -0.091 0.000 0.923 1338 L CB 0.542 42.552 42.059 -0.082 0.000 1.278 1338 L HN 0.400 nan 8.230 nan 0.000 0.436 1339 V N 4.326 124.145 119.914 -0.159 0.000 2.348 1339 V HA 0.209 4.331 4.120 0.004 0.000 0.270 1339 V C 0.537 176.527 176.094 -0.174 0.000 1.037 1339 V CA -0.442 61.700 62.300 -0.264 0.000 0.872 1339 V CB 0.904 32.466 31.823 -0.435 0.000 1.002 1339 V HN 0.848 nan 8.190 nan 0.000 0.464 1340 N N 4.338 122.952 118.700 -0.144 0.000 2.747 1340 N HA -0.193 4.549 4.740 0.004 0.000 0.249 1340 N C 1.087 176.562 175.510 -0.057 0.000 1.107 1340 N CA 1.375 54.379 53.050 -0.077 0.000 0.707 1340 N CB -1.037 37.420 38.487 -0.050 0.000 1.054 1340 N HN 1.428 nan 8.380 nan 0.000 0.555 1341 G N -0.797 107.964 108.800 -0.065 0.000 2.143 1341 G HA2 -0.341 3.621 3.960 0.004 0.000 0.248 1341 G HA3 -0.341 3.621 3.960 0.004 0.000 0.248 1341 G C 0.031 174.903 174.900 -0.046 0.000 0.991 1341 G CA 0.704 45.773 45.100 -0.051 0.000 0.689 1341 G HN 0.581 nan 8.290 nan 0.000 0.522 1342 R N 0.067 120.535 120.500 -0.053 0.000 2.670 1342 R HA 0.512 4.854 4.340 0.004 0.000 0.289 1342 R C -2.733 173.538 176.300 -0.048 0.000 0.965 1342 R CA -2.168 53.907 56.100 -0.042 0.000 0.899 1342 R CB 1.961 32.241 30.300 -0.033 0.000 1.173 1342 R HN 0.014 nan 8.270 nan 0.000 0.456 1343 P HA 0.017 nan 4.420 nan 0.000 0.269 1343 P C -1.032 176.252 177.300 -0.027 0.000 1.217 1343 P CA 0.023 63.103 63.100 -0.033 0.000 0.783 1343 P CB 0.592 32.279 31.700 -0.022 0.000 0.898 1344 K N 1.181 121.568 120.400 -0.023 0.000 2.622 1344 K HA 0.250 4.572 4.320 0.004 0.000 0.263 1344 K C -1.924 174.676 176.600 -0.000 0.000 0.947 1344 K CA -0.742 55.540 56.287 -0.008 0.000 0.885 1344 K CB 1.052 33.546 32.500 -0.009 0.000 1.362 1344 K HN 0.174 nan 8.250 nan 0.000 0.413 1345 L N 6.110 127.340 121.223 0.010 0.000 2.319 1345 L HA 0.490 4.832 4.340 0.004 0.000 0.280 1345 L C -0.258 176.632 176.870 0.033 0.000 1.099 1345 L CA -0.213 54.637 54.840 0.016 0.000 0.828 1345 L CB 0.423 42.490 42.059 0.014 0.000 1.150 1345 L HN 0.558 nan 8.230 nan 0.000 0.442 1346 I N 2.097 122.691 120.570 0.040 0.000 2.545 1346 I HA 0.567 4.739 4.170 0.004 0.000 0.292 1346 I C -0.460 175.695 176.117 0.064 0.000 1.040 1346 I CA -0.866 60.471 61.300 0.062 0.000 1.068 1346 I CB 2.017 40.068 38.000 0.085 0.000 1.251 1346 I HN 0.669 nan 8.210 nan 0.000 0.424 1347 N N 4.785 123.525 118.700 0.067 0.000 2.405 1347 N HA 0.223 4.966 4.740 0.004 0.000 0.269 1347 N C 0.628 176.187 175.510 0.083 0.000 1.249 1347 N CA -0.836 52.263 53.050 0.080 0.000 0.974 1347 N CB 0.695 39.224 38.487 0.071 0.000 1.204 1347 N HN 0.820 nan 8.380 nan 0.000 0.565 1348 L N -0.790 120.499 121.223 0.110 0.000 2.079 1348 L HA -0.122 4.220 4.340 0.004 0.000 0.210 1348 L C 2.182 179.045 176.870 -0.010 0.000 1.081 1348 L CA 1.800 56.665 54.840 0.041 0.000 0.752 1348 L CB -0.484 41.557 42.059 -0.030 0.000 0.896 1348 L HN 0.744 nan 8.230 nan 0.000 0.433 1349 K N -0.243 120.159 120.400 0.002 0.000 1.968 1349 K HA -0.207 4.115 4.320 0.004 0.000 0.215 1349 K C 1.875 178.473 176.600 -0.004 0.000 1.040 1349 K CA 1.906 58.186 56.287 -0.012 0.000 0.959 1349 K CB -0.275 32.217 32.500 -0.012 0.000 0.740 1349 K HN 0.344 nan 8.250 nan 0.000 0.443 1350 E N 0.241 120.443 120.200 0.004 0.000 2.164 1350 E HA -0.319 4.034 4.350 0.004 0.000 0.206 1350 E C 1.900 178.562 176.600 0.104 0.000 1.032 1350 E CA 1.664 58.071 56.400 0.012 0.000 0.832 1350 E CB -0.335 29.411 29.700 0.077 0.000 0.742 1350 E HN 0.476 nan 8.360 nan 0.000 0.460 1351 A N 1.022 123.901 122.820 0.098 0.000 1.877 1351 A HA -0.163 4.159 4.320 0.004 0.000 0.216 1351 A C 2.238 179.877 177.584 0.092 0.000 1.186 1351 A CA 1.267 53.362 52.037 0.097 0.000 0.620 1351 A CB -0.604 18.419 19.000 0.038 0.000 0.822 1351 A HN 0.163 nan 8.150 nan 0.000 0.443 1352 L N -0.614 120.635 121.223 0.044 0.000 2.072 1352 L HA -0.112 4.230 4.340 0.004 0.000 0.205 1352 L C 2.491 179.433 176.870 0.118 0.000 1.079 1352 L CA 0.887 55.767 54.840 0.066 0.000 0.752 1352 L CB -0.379 41.681 42.059 0.002 0.000 0.906 1352 L HN 0.255 nan 8.230 nan 0.000 0.436 1353 V N -1.160 118.775 119.914 0.036 0.000 2.548 1353 V HA -0.253 3.869 4.120 0.004 0.000 0.249 1353 V C 2.435 178.519 176.094 -0.018 0.000 1.055 1353 V CA 1.328 63.614 62.300 -0.023 0.000 1.065 1353 V CB -0.770 30.988 31.823 -0.107 0.000 0.681 1353 V HN 0.442 nan 8.190 nan 0.000 0.462 1354 H N -1.316 117.783 119.070 0.048 0.000 2.423 1354 H HA -0.154 4.404 4.556 0.003 0.000 0.297 1354 H C 2.108 177.482 175.328 0.077 0.000 1.075 1354 H CA 2.029 58.105 56.048 0.046 0.000 1.342 1354 H CB -0.050 29.732 29.762 0.034 0.000 1.395 1354 H HN 0.660 nan 8.280 nan 0.000 0.530 1355 Y N 0.374 120.736 120.300 0.105 0.000 2.420 1355 Y HA -0.038 4.514 4.550 0.003 0.000 0.292 1355 Y C 2.291 178.234 175.900 0.072 0.000 1.119 1355 Y CA 0.329 58.466 58.100 0.062 0.000 1.229 1355 Y CB -0.278 38.177 38.460 -0.008 0.000 1.026 1355 Y HN 0.020 nan 8.280 nan 0.000 0.554 1356 L N 0.936 122.108 121.223 -0.085 0.000 2.017 1356 L HA -0.135 4.207 4.340 0.004 0.000 0.208 1356 L C 2.375 179.137 176.870 -0.179 0.000 1.073 1356 L CA 2.254 56.978 54.840 -0.193 0.000 0.745 1356 L CB -0.843 41.193 42.059 -0.039 0.000 0.894 1356 L HN 0.251 nan 8.230 nan 0.000 0.432 1357 E N -0.770 119.387 120.200 -0.072 0.000 2.070 1357 E HA -0.343 4.009 4.350 0.004 0.000 0.197 1357 E C 2.246 178.811 176.600 -0.058 0.000 1.004 1357 E CA 1.908 58.283 56.400 -0.042 0.000 0.805 1357 E CB -0.365 29.349 29.700 0.024 0.000 0.744 1357 E HN 0.725 nan 8.360 nan 0.000 0.451 1358 H N -0.382 118.604 119.070 -0.140 0.000 2.387 1358 H HA -0.033 4.525 4.556 0.003 0.000 0.299 1358 H C 1.682 176.883 175.328 -0.211 0.000 1.090 1358 H CA 1.953 57.912 56.048 -0.150 0.000 1.332 1358 H CB 0.170 29.852 29.762 -0.132 0.000 1.386 1358 H HN 0.117 nan 8.280 nan 0.000 0.516 1359 Q N 0.240 119.834 119.800 -0.344 0.000 2.378 1359 Q HA -0.036 4.307 4.340 0.004 0.000 0.205 1359 Q C 1.910 177.770 176.000 -0.233 0.000 0.954 1359 Q CA 0.721 56.314 55.803 -0.351 0.000 0.901 1359 Q CB 0.191 28.649 28.738 -0.467 0.000 0.981 1359 Q HN 0.559 nan 8.270 nan 0.000 0.483 1360 K N 0.113 120.398 120.400 -0.191 0.000 2.021 1360 K HA -0.031 4.291 4.320 0.004 0.000 0.205 1360 K C 2.134 178.658 176.600 -0.126 0.000 1.047 1360 K CA 1.614 57.825 56.287 -0.126 0.000 0.943 1360 K CB 0.027 32.472 32.500 -0.092 0.000 0.725 1360 K HN 0.152 nan 8.250 nan 0.000 0.439 1361 T N 0.938 115.403 114.554 -0.147 0.000 2.867 1361 T HA -0.088 4.264 4.350 0.004 0.000 0.268 1361 T C 2.073 176.685 174.700 -0.147 0.000 1.057 1361 T CA 0.994 63.018 62.100 -0.127 0.000 1.136 1361 T CB -0.338 68.460 68.868 -0.116 0.000 0.874 1361 T HN -0.095 nan 8.240 nan 0.000 0.466 1362 V N 1.330 121.106 119.914 -0.229 0.000 2.221 1362 V HA -0.151 3.971 4.120 0.004 0.000 0.240 1362 V C 2.682 178.709 176.094 -0.112 0.000 1.041 1362 V CA 1.204 63.388 62.300 -0.193 0.000 0.991 1362 V CB -1.115 30.550 31.823 -0.263 0.000 0.634 1362 V HN 0.259 nan 8.190 nan 0.000 0.450 1363 V N 0.518 120.369 119.914 -0.104 0.000 2.311 1363 V HA -0.398 3.724 4.120 0.004 0.000 0.256 1363 V C 2.689 178.759 176.094 -0.040 0.000 1.077 1363 V CA 2.899 65.164 62.300 -0.058 0.000 1.067 1363 V CB -0.813 30.979 31.823 -0.052 0.000 0.659 1363 V HN 0.595 nan 8.190 nan 0.000 0.451 1364 R N -0.263 120.207 120.500 -0.050 0.000 2.057 1364 R HA -0.141 4.201 4.340 0.004 0.000 0.229 1364 R C 2.537 178.828 176.300 -0.016 0.000 1.136 1364 R CA 1.590 57.671 56.100 -0.032 0.000 0.952 1364 R CB -0.288 29.989 30.300 -0.038 0.000 0.848 1364 R HN 0.457 nan 8.270 nan 0.000 0.430 1365 R N 0.282 120.769 120.500 -0.021 0.000 2.112 1365 R HA -0.201 4.141 4.340 0.004 0.000 0.242 1365 R C 2.629 178.954 176.300 0.042 0.000 1.137 1365 R CA 2.099 58.203 56.100 0.006 0.000 0.944 1365 R CB -0.664 29.628 30.300 -0.012 0.000 0.857 1365 R HN 0.283 nan 8.270 nan 0.000 0.435 1366 R N 0.424 120.929 120.500 0.007 0.000 2.112 1366 R HA -0.183 4.159 4.340 0.004 0.000 0.242 1366 R C 2.111 178.465 176.300 0.091 0.000 1.137 1366 R CA 2.414 58.531 56.100 0.027 0.000 0.944 1366 R CB -0.520 29.774 30.300 -0.010 0.000 0.857 1366 R HN 0.276 nan 8.270 nan 0.000 0.435 1367 T N 1.094 115.673 114.554 0.041 0.000 2.597 1367 T HA -0.247 4.106 4.350 0.004 0.000 0.267 1367 T C 1.813 176.525 174.700 0.020 0.000 1.053 1367 T CA 1.941 64.053 62.100 0.021 0.000 1.165 1367 T CB -0.325 68.540 68.868 -0.005 0.000 0.863 1367 T HN 0.459 nan 8.240 nan 0.000 0.427 1368 Q N -0.756 119.060 119.800 0.028 0.000 2.297 1368 Q HA -0.126 4.217 4.340 0.004 0.000 0.208 1368 Q C 1.875 177.908 176.000 0.055 0.000 0.981 1368 Q CA 1.348 57.164 55.803 0.021 0.000 0.876 1368 Q CB -0.192 28.559 28.738 0.021 0.000 0.921 1368 Q HN 0.745 nan 8.270 nan 0.000 0.446 1369 Y N 0.836 121.115 120.300 -0.035 0.000 2.186 1369 Y HA -0.097 4.455 4.550 0.003 0.000 0.286 1369 Y C 1.907 177.790 175.900 -0.028 0.000 1.109 1369 Y CA 0.857 58.943 58.100 -0.023 0.000 1.099 1369 Y CB -0.243 38.214 38.460 -0.006 0.000 1.030 1369 Y HN -0.016 nan 8.280 nan 0.000 0.495 1370 N N 1.289 120.187 118.700 0.331 0.000 2.171 1370 N HA -0.309 4.433 4.740 0.004 0.000 0.200 1370 N C 1.812 177.259 175.510 -0.105 0.000 0.991 1370 N CA 2.126 55.268 53.050 0.153 0.000 0.906 1370 N CB -1.004 37.585 38.487 0.170 0.000 1.060 1370 N HN 0.563 nan 8.380 nan 0.000 0.510 1371 L N 1.325 122.448 121.223 -0.166 0.000 1.955 1371 L HA -0.180 4.162 4.340 0.004 0.000 0.213 1371 L C 2.307 179.070 176.870 -0.177 0.000 1.072 1371 L CA 1.793 56.498 54.840 -0.223 0.000 0.755 1371 L CB -0.600 41.357 42.059 -0.170 0.000 0.888 1371 L HN 0.032 nan 8.230 nan 0.000 0.432 1372 R N 0.233 120.632 120.500 -0.168 0.000 2.119 1372 R HA -0.224 4.118 4.340 0.004 0.000 0.246 1372 R C 2.447 178.632 176.300 -0.192 0.000 1.146 1372 R CA 2.486 58.483 56.100 -0.172 0.000 0.962 1372 R CB -0.984 29.208 30.300 -0.181 0.000 0.863 1372 R HN 0.575 nan 8.270 nan 0.000 0.442 1373 K N 0.498 120.734 120.400 -0.273 0.000 2.365 1373 K HA 0.147 4.469 4.320 0.004 0.000 0.199 1373 K C 1.920 178.471 176.600 -0.083 0.000 1.045 1373 K CA 1.359 57.517 56.287 -0.215 0.000 0.962 1373 K CB -0.370 31.951 32.500 -0.299 0.000 0.759 1373 K HN 0.401 nan 8.250 nan 0.000 0.469 1374 A N 0.575 123.355 122.820 -0.066 0.000 1.997 1374 A HA 0.283 4.606 4.320 0.004 0.000 0.212 1374 A C 2.563 180.142 177.584 -0.007 0.000 1.178 1374 A CA 1.545 53.584 52.037 0.002 0.000 0.698 1374 A CB -0.256 18.747 19.000 0.006 0.000 0.842 1374 A HN 0.568 nan 8.150 nan 0.000 0.458 1375 K N 0.152 120.526 120.400 -0.044 0.000 2.062 1375 K HA -0.116 4.206 4.320 0.004 0.000 0.205 1375 K C 1.618 178.233 176.600 0.025 0.000 1.051 1375 K CA 1.644 57.920 56.287 -0.018 0.000 0.941 1375 K CB -0.997 31.472 32.500 -0.051 0.000 0.719 1375 K HN 0.397 nan 8.250 nan 0.000 0.440 1376 D N 0.071 120.466 120.400 -0.008 0.000 2.126 1376 D HA -0.192 4.450 4.640 0.004 0.000 0.190 1376 D C 2.116 178.465 176.300 0.083 0.000 1.001 1376 D CA 1.817 55.829 54.000 0.019 0.000 0.841 1376 D CB -0.141 40.644 40.800 -0.025 0.000 0.949 1376 D HN 0.480 nan 8.370 nan 0.000 0.446 1377 R N 0.746 121.283 120.500 0.062 0.000 2.070 1377 R HA -0.029 4.313 4.340 0.004 0.000 0.233 1377 R C 2.068 178.444 176.300 0.127 0.000 1.137 1377 R CA 1.991 58.140 56.100 0.081 0.000 0.945 1377 R CB -0.770 29.572 30.300 0.071 0.000 0.845 1377 R HN 0.088 nan 8.270 nan 0.000 0.430 1378 A N -0.237 122.667 122.820 0.141 0.000 1.883 1378 A HA -0.253 4.069 4.320 0.004 0.000 0.217 1378 A C 2.159 179.899 177.584 0.260 0.000 1.186 1378 A CA 2.021 54.200 52.037 0.236 0.000 0.624 1378 A CB -1.165 17.904 19.000 0.114 0.000 0.822 1378 A HN 0.727 nan 8.150 nan 0.000 0.444 1379 H N -0.446 118.692 119.070 0.113 0.000 2.353 1379 H HA -0.125 4.433 4.556 0.004 0.000 0.298 1379 H C 1.739 177.105 175.328 0.062 0.000 1.103 1379 H CA 2.071 58.169 56.048 0.083 0.000 1.293 1379 H CB -0.071 29.715 29.762 0.040 0.000 1.372 1379 H HN 0.349 nan 8.280 nan 0.000 0.501 1380 I N 0.088 120.708 120.570 0.083 0.000 2.252 1380 I HA -0.209 3.963 4.170 0.004 0.000 0.245 1380 I C 2.267 178.367 176.117 -0.028 0.000 1.102 1380 I CA 0.985 62.292 61.300 0.012 0.000 1.385 1380 I CB -0.792 37.242 38.000 0.057 0.000 1.064 1380 I HN 0.364 nan 8.210 nan 0.000 0.414 1381 L N 0.217 121.460 121.223 0.034 0.000 2.093 1381 L HA -0.190 4.152 4.340 0.004 0.000 0.208 1381 L C 2.386 179.167 176.870 -0.148 0.000 1.085 1381 L CA 1.148 55.989 54.840 0.002 0.000 0.755 1381 L CB -0.567 41.589 42.059 0.160 0.000 0.904 1381 L HN 0.220 nan 8.230 nan 0.000 0.435 1382 E N 0.132 120.251 120.200 -0.136 0.000 2.097 1382 E HA -0.212 4.140 4.350 0.004 0.000 0.196 1382 E C 2.217 178.694 176.600 -0.206 0.000 1.000 1382 E CA 1.234 57.499 56.400 -0.226 0.000 0.804 1382 E CB -0.305 29.326 29.700 -0.115 0.000 0.740 1382 E HN 0.574 nan 8.360 nan 0.000 0.454 1383 G N 0.634 109.311 108.800 -0.205 0.000 2.403 1383 G HA2 -0.177 3.785 3.960 0.004 0.000 0.216 1383 G HA3 -0.177 3.785 3.960 0.004 0.000 0.216 1383 G C 1.512 176.340 174.900 -0.120 0.000 1.154 1383 G CA 0.107 45.112 45.100 -0.159 0.000 0.784 1383 G HN 0.095 nan 8.290 nan 0.000 0.538 1384 L N -0.139 121.018 121.223 -0.110 0.000 2.191 1384 L HA -0.033 4.309 4.340 0.004 0.000 0.212 1384 L C 3.146 179.961 176.870 -0.092 0.000 1.103 1384 L CA 0.743 55.530 54.840 -0.089 0.000 0.769 1384 L CB -0.225 41.795 42.059 -0.065 0.000 0.908 1384 L HN 0.226 nan 8.230 nan 0.000 0.438 1385 R N 0.089 120.514 120.500 -0.125 0.000 2.055 1385 R HA -0.074 4.268 4.340 0.004 0.000 0.228 1385 R C 2.241 178.518 176.300 -0.039 0.000 1.143 1385 R CA 1.061 57.092 56.100 -0.116 0.000 0.945 1385 R CB -0.395 29.781 30.300 -0.207 0.000 0.841 1385 R HN 0.162 nan 8.270 nan 0.000 0.429 1386 I N 1.192 121.753 120.570 -0.015 0.000 2.191 1386 I HA -0.381 3.791 4.170 0.004 0.000 0.248 1386 I C 2.332 178.530 176.117 0.135 0.000 1.061 1386 I CA 1.859 63.218 61.300 0.099 0.000 1.329 1386 I CB -0.479 37.543 38.000 0.038 0.000 1.024 1386 I HN 0.318 nan 8.210 nan 0.000 0.423 1387 A N -0.374 122.443 122.820 -0.006 0.000 2.132 1387 A HA 0.140 4.462 4.320 0.004 0.000 0.213 1387 A C 2.075 179.639 177.584 -0.033 0.000 1.154 1387 A CA 0.467 52.464 52.037 -0.067 0.000 0.753 1387 A CB -0.178 18.733 19.000 -0.148 0.000 0.826 1387 A HN 0.415 nan 8.150 nan 0.000 0.469 1388 L N -1.129 120.081 121.223 -0.021 0.000 2.554 1388 L HA 0.115 4.457 4.340 0.004 0.000 0.225 1388 L C 0.895 177.748 176.870 -0.029 0.000 1.104 1388 L CA 0.277 55.100 54.840 -0.028 0.000 0.866 1388 L CB 0.232 42.269 42.059 -0.036 0.000 1.047 1388 L HN 0.129 nan 8.230 nan 0.000 0.468 1389 D N -1.742 118.646 120.400 -0.020 0.000 2.389 1389 D HA 0.039 4.681 4.640 0.004 0.000 0.206 1389 D C 1.035 177.183 176.300 -0.254 0.000 1.055 1389 D CA 0.714 54.647 54.000 -0.113 0.000 0.856 1389 D CB 0.350 41.083 40.800 -0.112 0.000 0.957 1389 D HN 0.256 nan 8.370 nan 0.000 0.509 1390 H N 0.145 119.238 119.070 0.039 0.000 2.492 1390 H HA 0.139 4.697 4.556 0.004 0.000 0.264 1390 H C 1.414 176.780 175.328 0.063 0.000 1.150 1390 H CA -0.308 55.798 56.048 0.098 0.000 0.962 1390 H CB 0.868 30.777 29.762 0.246 0.000 1.766 1390 H HN 0.013 nan 8.280 nan 0.000 0.589 1391 I N 1.437 122.047 120.570 0.068 0.000 2.145 1391 I HA -0.300 3.872 4.170 0.004 0.000 0.244 1391 I C 1.715 177.848 176.117 0.027 0.000 1.075 1391 I CA 1.743 63.055 61.300 0.020 0.000 1.332 1391 I CB -0.026 37.972 38.000 -0.005 0.000 1.033 1391 I HN 0.161 nan 8.210 nan 0.000 0.410 1392 D N 0.309 120.738 120.400 0.047 0.000 2.084 1392 D HA -0.183 4.459 4.640 0.004 0.000 0.194 1392 D C 2.076 178.420 176.300 0.073 0.000 0.990 1392 D CA 1.595 55.622 54.000 0.046 0.000 0.826 1392 D CB -0.198 40.628 40.800 0.043 0.000 0.971 1392 D HN 0.526 nan 8.370 nan 0.000 0.453 1393 E N 0.747 121.028 120.200 0.136 0.000 2.013 1393 E HA -0.167 4.185 4.350 0.004 0.000 0.202 1393 E C 2.318 179.007 176.600 0.148 0.000 1.018 1393 E CA 0.600 57.120 56.400 0.201 0.000 0.834 1393 E CB -0.115 29.825 29.700 0.400 0.000 0.770 1393 E HN 0.145 nan 8.360 nan 0.000 0.459 1394 I N 1.151 121.758 120.570 0.061 0.000 2.191 1394 I HA -0.339 3.833 4.170 0.004 0.000 0.248 1394 I C 2.266 178.336 176.117 -0.078 0.000 1.061 1394 I CA 1.442 62.636 61.300 -0.177 0.000 1.329 1394 I CB -0.878 36.965 38.000 -0.261 0.000 1.024 1394 I HN 0.247 nan 8.210 nan 0.000 0.423 1395 I N 0.765 121.319 120.570 -0.027 0.000 2.133 1395 I HA -0.236 3.936 4.170 0.004 0.000 0.238 1395 I C 2.845 178.965 176.117 0.006 0.000 1.074 1395 I CA 1.918 63.209 61.300 -0.015 0.000 1.342 1395 I CB -1.427 36.570 38.000 -0.005 0.000 1.053 1395 I HN 0.312 nan 8.210 nan 0.000 0.404 1396 S N -0.041 115.677 115.700 0.029 0.000 2.419 1396 S HA -0.168 4.304 4.470 0.004 0.000 0.235 1396 S C 1.839 176.466 174.600 0.045 0.000 1.019 1396 S CA 1.756 59.978 58.200 0.038 0.000 0.982 1396 S CB -1.082 62.148 63.200 0.049 0.000 0.789 1396 S HN 0.423 nan 8.310 nan 0.000 0.490 1397 T N 1.460 116.051 114.554 0.063 0.000 3.072 1397 T HA 0.285 4.637 4.350 0.004 0.000 0.266 1397 T C 1.418 176.137 174.700 0.032 0.000 1.127 1397 T CA 0.891 63.037 62.100 0.076 0.000 1.107 1397 T CB -0.248 68.706 68.868 0.144 0.000 0.910 1397 T HN 0.453 nan 8.240 nan 0.000 0.513 1398 I N 0.124 120.698 120.570 0.008 0.000 3.132 1398 I HA 0.070 4.243 4.170 0.004 0.000 0.255 1398 I C 2.388 178.505 176.117 -0.000 0.000 1.118 1398 I CA 0.085 61.381 61.300 -0.006 0.000 1.463 1398 I CB 0.017 38.002 38.000 -0.026 0.000 1.356 1398 I HN -0.006 nan 8.210 nan 0.000 0.463 1399 R N 1.804 122.304 120.500 0.001 0.000 2.133 1399 R HA -0.238 4.104 4.340 0.004 0.000 0.247 1399 R C 1.746 178.049 176.300 0.005 0.000 1.151 1399 R CA 2.006 58.107 56.100 0.002 0.000 0.971 1399 R CB -0.757 29.545 30.300 0.003 0.000 0.866 1399 R HN 0.579 nan 8.270 nan 0.000 0.447 1400 E N 0.928 121.134 120.200 0.010 0.000 2.511 1400 E HA 0.039 4.391 4.350 0.004 0.000 0.196 1400 E C -0.304 176.303 176.600 0.011 0.000 1.066 1400 E CA 0.199 56.606 56.400 0.012 0.000 0.871 1400 E CB 0.298 30.008 29.700 0.016 0.000 0.863 1400 E HN 0.014 nan 8.360 nan 0.000 0.520 1401 S N 2.445 118.150 115.700 0.009 0.000 2.457 1401 S HA 0.036 4.508 4.470 0.004 0.000 0.289 1401 S C 0.488 175.090 174.600 0.004 0.000 1.163 1401 S CA -0.622 57.583 58.200 0.008 0.000 1.078 1401 S CB 1.323 64.528 63.200 0.008 0.000 0.987 1401 S HN 0.325 nan 8.310 nan 0.000 0.482 1402 D N 1.940 122.343 120.400 0.004 0.000 2.162 1402 D HA -0.083 4.559 4.640 0.004 0.000 0.203 1402 D C 1.075 177.375 176.300 0.001 0.000 0.967 1402 D CA 0.816 54.818 54.000 0.002 0.000 0.840 1402 D CB -0.219 40.583 40.800 0.003 0.000 0.972 1402 D HN 0.570 nan 8.370 nan 0.000 0.482 1403 T N -2.326 112.229 114.554 0.001 0.000 2.940 1403 T HA 0.306 4.658 4.350 0.004 0.000 0.288 1403 T C 0.350 175.049 174.700 -0.001 0.000 1.045 1403 T CA -0.560 61.540 62.100 0.000 0.000 1.018 1403 T CB 2.423 71.291 68.868 0.001 0.000 1.151 1403 T HN -0.343 nan 8.240 nan 0.000 0.529 1404 D N 0.600 120.999 120.400 -0.002 0.000 2.084 1404 D HA 0.002 4.644 4.640 0.004 0.000 0.194 1404 D C 2.546 178.845 176.300 -0.001 0.000 0.990 1404 D CA 2.604 56.602 54.000 -0.004 0.000 0.826 1404 D CB -0.369 40.429 40.800 -0.004 0.000 0.971 1404 D HN 0.785 nan 8.370 nan 0.000 0.453 1405 K N 0.405 120.805 120.400 0.000 0.000 2.107 1405 K HA -0.226 4.096 4.320 0.004 0.000 0.211 1405 K C 2.165 178.767 176.600 0.004 0.000 1.049 1405 K CA 2.013 58.302 56.287 0.002 0.000 0.927 1405 K CB -1.392 31.110 32.500 0.003 0.000 0.714 1405 K HN 0.138 nan 8.250 nan 0.000 0.452 1406 V N 0.340 120.257 119.914 0.004 0.000 2.249 1406 V HA -0.035 4.087 4.120 0.004 0.000 0.239 1406 V C 2.904 179.003 176.094 0.008 0.000 1.038 1406 V CA 1.648 63.952 62.300 0.007 0.000 1.005 1406 V CB -1.022 30.805 31.823 0.007 0.000 0.646 1406 V HN 0.686 nan 8.190 nan 0.000 0.455 1407 A N -0.295 122.528 122.820 0.004 0.000 2.009 1407 A HA -0.306 4.017 4.320 0.004 0.000 0.222 1407 A C 2.242 179.824 177.584 -0.002 0.000 1.175 1407 A CA 2.378 54.415 52.037 0.000 0.000 0.651 1407 A CB -0.584 18.410 19.000 -0.010 0.000 0.815 1407 A HN 0.442 nan 8.150 nan 0.000 0.459 1408 M N -1.406 118.194 119.600 -0.001 0.000 2.065 1408 M HA -0.160 4.322 4.480 0.004 0.000 0.259 1408 M C 2.153 178.459 176.300 0.011 0.000 1.071 1408 M CA 2.190 57.491 55.300 0.000 0.000 1.109 1408 M CB -1.125 31.476 32.600 0.002 0.000 1.313 1408 M HN 0.537 nan 8.290 nan 0.000 0.408 1409 E N 0.493 120.701 120.200 0.014 0.000 2.023 1409 E HA -0.122 4.230 4.350 0.004 0.000 0.196 1409 E C 1.941 178.561 176.600 0.033 0.000 1.003 1409 E CA 2.225 58.637 56.400 0.020 0.000 0.809 1409 E CB -0.360 29.349 29.700 0.016 0.000 0.755 1409 E HN 0.360 nan 8.360 nan 0.000 0.449 1410 S N 0.298 116.019 115.700 0.035 0.000 2.381 1410 S HA -0.228 4.244 4.470 0.004 0.000 0.230 1410 S C 1.985 176.644 174.600 0.098 0.000 1.052 1410 S CA 1.478 59.713 58.200 0.058 0.000 1.068 1410 S CB -0.484 62.749 63.200 0.055 0.000 0.918 1410 S HN 0.267 nan 8.310 nan 0.000 0.448 1411 L N 0.814 122.081 121.223 0.073 0.000 2.093 1411 L HA -0.163 4.179 4.340 0.004 0.000 0.208 1411 L C 2.700 179.644 176.870 0.123 0.000 1.085 1411 L CA 1.321 56.209 54.840 0.078 0.000 0.755 1411 L CB -0.470 41.568 42.059 -0.036 0.000 0.904 1411 L HN 0.410 nan 8.230 nan 0.000 0.435 1412 Q N -1.154 118.691 119.800 0.075 0.000 2.172 1412 Q HA -0.181 4.161 4.340 0.004 0.000 0.200 1412 Q C 2.226 178.271 176.000 0.075 0.000 0.964 1412 Q CA 1.006 56.850 55.803 0.068 0.000 0.855 1412 Q CB 0.098 28.861 28.738 0.042 0.000 0.918 1412 Q HN 0.467 nan 8.270 nan 0.000 0.444 1413 Q N 0.449 120.289 119.800 0.068 0.000 1.984 1413 Q HA -0.056 4.286 4.340 0.004 0.000 0.196 1413 Q C 2.037 178.053 176.000 0.026 0.000 0.975 1413 Q CA 0.897 56.723 55.803 0.038 0.000 0.827 1413 Q CB -0.187 28.565 28.738 0.022 0.000 0.894 1413 Q HN 0.240 nan 8.270 nan 0.000 0.438 1414 R N -0.662 119.873 120.500 0.059 0.000 2.261 1414 R HA -0.143 4.199 4.340 0.004 0.000 0.236 1414 R C 0.701 176.793 176.300 -0.348 0.000 1.141 1414 R CA 1.134 57.183 56.100 -0.084 0.000 1.001 1414 R CB 0.119 30.455 30.300 0.059 0.000 0.866 1414 R HN 0.142 nan 8.270 nan 0.000 0.468 1415 F N -1.373 118.539 119.950 -0.063 0.000 2.856 1415 F HA 0.286 4.815 4.527 0.003 0.000 0.338 1415 F C 0.211 175.964 175.800 -0.079 0.000 1.100 1415 F CA -0.556 57.389 58.000 -0.092 0.000 1.150 1415 F CB 0.670 39.612 39.000 -0.097 0.000 1.101 1415 F HN -0.242 nan 8.300 nan 0.000 0.548 1416 K N 1.484 121.930 120.400 0.077 0.000 3.125 1416 K HA -0.177 4.145 4.320 0.004 0.000 0.268 1416 K C -0.613 176.018 176.600 0.051 0.000 1.078 1416 K CA 0.250 56.563 56.287 0.042 0.000 0.775 1416 K CB -1.448 31.058 32.500 0.010 0.000 1.253 1416 K HN 0.293 nan 8.250 nan 0.000 0.486 1417 L N -0.119 121.142 121.223 0.064 0.000 2.358 1417 L HA 0.366 4.708 4.340 0.004 0.000 0.268 1417 L C 1.289 178.185 176.870 0.044 0.000 1.032 1417 L CA -0.563 54.297 54.840 0.033 0.000 0.805 1417 L CB 1.662 43.728 42.059 0.012 0.000 1.253 1417 L HN 0.247 nan 8.230 nan 0.000 0.452 1418 S N -0.940 114.793 115.700 0.055 0.000 2.552 1418 S HA 0.147 4.619 4.470 0.004 0.000 0.271 1418 S C 0.784 175.420 174.600 0.059 0.000 1.168 1418 S CA -0.261 57.993 58.200 0.090 0.000 1.026 1418 S CB 0.773 64.094 63.200 0.202 0.000 1.120 1418 S HN 0.733 nan 8.310 nan 0.000 0.514 1419 E N 0.239 120.474 120.200 0.059 0.000 2.122 1419 E HA 0.003 4.355 4.350 0.004 0.000 0.190 1419 E C 1.792 178.413 176.600 0.035 0.000 0.977 1419 E CA 0.472 56.894 56.400 0.036 0.000 0.820 1419 E CB -0.099 29.617 29.700 0.026 0.000 0.770 1419 E HN 0.603 nan 8.360 nan 0.000 0.462 1420 K N -0.007 120.428 120.400 0.059 0.000 2.137 1420 K HA -0.053 4.269 4.320 0.004 0.000 0.202 1420 K C 2.282 178.910 176.600 0.047 0.000 1.052 1420 K CA 0.974 57.297 56.287 0.060 0.000 0.961 1420 K CB 0.083 32.641 32.500 0.096 0.000 0.741 1420 K HN 0.092 nan 8.250 nan 0.000 0.452 1421 Q N 0.375 120.202 119.800 0.046 0.000 2.049 1421 Q HA -0.032 4.310 4.340 0.004 0.000 0.198 1421 Q C 2.181 178.161 176.000 -0.032 0.000 0.971 1421 Q CA 1.342 57.135 55.803 -0.018 0.000 0.833 1421 Q CB -0.106 28.589 28.738 -0.071 0.000 0.896 1421 Q HN 0.298 nan 8.270 nan 0.000 0.434 1422 A N 0.670 123.479 122.820 -0.019 0.000 1.940 1422 A HA -0.292 4.031 4.320 0.004 0.000 0.219 1422 A C 2.028 179.594 177.584 -0.030 0.000 1.176 1422 A CA 1.805 53.822 52.037 -0.032 0.000 0.631 1422 A CB -0.509 18.484 19.000 -0.011 0.000 0.814 1422 A HN 0.288 nan 8.150 nan 0.000 0.446 1423 Q N -0.189 119.604 119.800 -0.012 0.000 1.990 1423 Q HA 0.021 4.363 4.340 0.004 0.000 0.200 1423 Q C 2.107 178.098 176.000 -0.015 0.000 0.980 1423 Q CA 2.269 58.066 55.803 -0.009 0.000 0.832 1423 Q CB -0.700 28.040 28.738 0.003 0.000 0.897 1423 Q HN 0.517 nan 8.270 nan 0.000 0.427 1424 A N 0.245 123.058 122.820 -0.011 0.000 2.032 1424 A HA -0.173 4.149 4.320 0.004 0.000 0.221 1424 A C 2.082 179.648 177.584 -0.029 0.000 1.165 1424 A CA 1.588 53.617 52.037 -0.013 0.000 0.645 1424 A CB -0.831 18.165 19.000 -0.007 0.000 0.807 1424 A HN 0.536 nan 8.150 nan 0.000 0.453 1425 I N -1.018 119.525 120.570 -0.045 0.000 2.406 1425 I HA -0.165 4.007 4.170 0.004 0.000 0.249 1425 I C 2.176 178.260 176.117 -0.056 0.000 1.122 1425 I CA 0.782 62.044 61.300 -0.064 0.000 1.431 1425 I CB -0.269 37.672 38.000 -0.099 0.000 1.087 1425 I HN 0.279 nan 8.210 nan 0.000 0.424 1426 L N 0.394 121.589 121.223 -0.047 0.000 2.141 1426 L HA -0.173 4.169 4.340 0.004 0.000 0.209 1426 L C 0.632 177.486 176.870 -0.027 0.000 1.094 1426 L CA 1.121 55.938 54.840 -0.038 0.000 0.763 1426 L CB -0.456 41.585 42.059 -0.030 0.000 0.908 1426 L HN 0.175 nan 8.230 nan 0.000 0.437 1427 D N 0.138 120.525 120.400 -0.023 0.000 2.881 1427 D HA 0.143 4.785 4.640 0.004 0.000 0.240 1427 D C 0.066 176.356 176.300 -0.017 0.000 1.249 1427 D CA 0.342 54.333 54.000 -0.016 0.000 0.839 1427 D CB 0.072 40.866 40.800 -0.010 0.000 1.042 1427 D HN 0.123 nan 8.370 nan 0.000 0.475 1428 M N 0.356 119.942 119.600 -0.023 0.000 2.227 1428 M HA 0.521 5.003 4.480 0.004 0.000 0.335 1428 M C -0.027 176.260 176.300 -0.021 0.000 1.053 1428 M CA -0.567 54.719 55.300 -0.024 0.000 0.973 1428 M CB 0.970 33.550 32.600 -0.034 0.000 1.623 1428 M HN 0.007 nan 8.290 nan 0.000 0.434 1429 R N 3.675 124.165 120.500 -0.016 0.000 2.441 1429 R HA 0.447 4.789 4.340 0.004 0.000 0.284 1429 R C 0.297 176.588 176.300 -0.015 0.000 1.070 1429 R CA -0.311 55.781 56.100 -0.014 0.000 1.047 1429 R CB -0.386 29.909 30.300 -0.010 0.000 1.016 1429 R HN 1.049 nan 8.270 nan 0.000 0.477 1430 L N 1.387 122.602 121.223 -0.014 0.000 2.127 1430 L HA -0.209 4.133 4.340 0.004 0.000 0.211 1430 L C 2.855 179.718 176.870 -0.012 0.000 1.089 1430 L CA 2.166 56.998 54.840 -0.014 0.000 0.757 1430 L CB -0.205 41.847 42.059 -0.012 0.000 0.899 1430 L HN 0.897 nan 8.230 nan 0.000 0.434 1431 R N -0.054 120.440 120.500 -0.010 0.000 2.303 1431 R HA -0.202 4.140 4.340 0.004 0.000 0.225 1431 R C 2.045 178.339 176.300 -0.010 0.000 1.114 1431 R CA 1.133 57.227 56.100 -0.009 0.000 1.007 1431 R CB -0.497 29.799 30.300 -0.007 0.000 0.861 1431 R HN 0.166 nan 8.270 nan 0.000 0.471 1432 R N 0.421 120.913 120.500 -0.012 0.000 2.235 1432 R HA 0.075 4.417 4.340 0.004 0.000 0.213 1432 R C 1.079 177.369 176.300 -0.016 0.000 1.059 1432 R CA 0.600 56.692 56.100 -0.014 0.000 0.997 1432 R CB 0.031 30.321 30.300 -0.016 0.000 0.884 1432 R HN 0.196 nan 8.270 nan 0.000 0.462 1433 L N 0.431 121.644 121.223 -0.017 0.000 2.591 1433 L HA 0.107 4.449 4.340 0.004 0.000 0.228 1433 L C 0.588 177.449 176.870 -0.015 0.000 1.133 1433 L CA 0.472 55.301 54.840 -0.018 0.000 0.880 1433 L CB -0.566 41.482 42.059 -0.018 0.000 1.033 1433 L HN 0.100 nan 8.230 nan 0.000 0.450 1434 T N -3.514 111.032 114.554 -0.012 0.000 2.734 1434 T HA 0.234 4.586 4.350 0.004 0.000 0.314 1434 T C 1.578 176.271 174.700 -0.011 0.000 1.057 1434 T CA -0.032 62.061 62.100 -0.011 0.000 1.047 1434 T CB 0.647 69.510 68.868 -0.008 0.000 0.991 1434 T HN 0.212 nan 8.240 nan 0.000 0.540 1435 G N -0.020 108.774 108.800 -0.010 0.000 2.524 1435 G HA2 -0.097 3.865 3.960 0.004 0.000 0.215 1435 G HA3 -0.097 3.865 3.960 0.004 0.000 0.215 1435 G C 1.441 176.335 174.900 -0.010 0.000 1.239 1435 G CA 0.587 45.681 45.100 -0.011 0.000 0.798 1435 G HN 0.685 nan 8.290 nan 0.000 0.557 1436 L N 0.579 121.797 121.223 -0.008 0.000 2.151 1436 L HA -0.180 4.163 4.340 0.004 0.000 0.215 1436 L C 2.945 179.812 176.870 -0.005 0.000 1.084 1436 L CA 1.310 56.147 54.840 -0.006 0.000 0.764 1436 L CB -0.292 41.764 42.059 -0.004 0.000 0.891 1436 L HN 0.229 nan 8.230 nan 0.000 0.435 1437 E N -0.250 119.946 120.200 -0.007 0.000 2.085 1437 E HA -0.270 4.082 4.350 0.004 0.000 0.194 1437 E C 2.228 178.823 176.600 -0.008 0.000 0.994 1437 E CA 1.090 57.486 56.400 -0.007 0.000 0.801 1437 E CB -0.212 29.482 29.700 -0.009 0.000 0.743 1437 E HN 0.283 nan 8.360 nan 0.000 0.453 1438 R N 1.411 121.904 120.500 -0.013 0.000 2.159 1438 R HA -0.131 4.211 4.340 0.004 0.000 0.237 1438 R C 1.215 177.509 176.300 -0.010 0.000 1.131 1438 R CA 1.460 57.550 56.100 -0.017 0.000 0.982 1438 R CB -0.193 30.094 30.300 -0.022 0.000 0.868 1438 R HN 0.045 nan 8.270 nan 0.000 0.453 1439 D N -0.798 119.600 120.400 -0.004 0.000 2.366 1439 D HA -0.039 4.603 4.640 0.004 0.000 0.205 1439 D C 1.239 177.546 176.300 0.011 0.000 1.022 1439 D CA 0.519 54.521 54.000 0.004 0.000 0.868 1439 D CB 0.047 40.849 40.800 0.002 0.000 0.953 1439 D HN 0.350 nan 8.370 nan 0.000 0.514 1440 K N 0.682 121.087 120.400 0.008 0.000 2.365 1440 K HA 0.022 4.344 4.320 0.004 0.000 0.199 1440 K C 1.466 178.080 176.600 0.022 0.000 1.045 1440 K CA 0.672 56.967 56.287 0.012 0.000 0.962 1440 K CB 0.196 32.700 32.500 0.006 0.000 0.759 1440 K HN 0.106 nan 8.250 nan 0.000 0.469 1441 I N -0.014 120.569 120.570 0.022 0.000 3.790 1441 I HA -0.015 4.157 4.170 0.004 0.000 0.305 1441 I C 1.891 178.045 176.117 0.061 0.000 1.253 1441 I CA 0.108 61.428 61.300 0.034 0.000 1.355 1441 I CB 0.285 38.288 38.000 0.006 0.000 1.137 1441 I HN 0.134 nan 8.210 nan 0.000 0.435 1442 E N 1.962 122.189 120.200 0.045 0.000 2.072 1442 E HA -0.109 4.243 4.350 0.004 0.000 0.190 1442 E C 2.185 178.852 176.600 0.112 0.000 0.982 1442 E CA 1.580 58.026 56.400 0.076 0.000 0.803 1442 E CB -0.040 29.683 29.700 0.038 0.000 0.755 1442 E HN 0.352 nan 8.360 nan 0.000 0.453 1443 A N 0.935 123.796 122.820 0.067 0.000 1.873 1443 A HA -0.300 4.023 4.320 0.004 0.000 0.218 1443 A C 2.242 179.864 177.584 0.064 0.000 1.193 1443 A CA 2.086 54.156 52.037 0.054 0.000 0.629 1443 A CB -0.881 18.137 19.000 0.030 0.000 0.826 1443 A HN 0.471 nan 8.150 nan 0.000 0.447 1444 E N -1.832 118.411 120.200 0.072 0.000 2.077 1444 E HA -0.250 4.102 4.350 0.004 0.000 0.193 1444 E C 1.858 178.524 176.600 0.111 0.000 0.989 1444 E CA 1.442 57.885 56.400 0.072 0.000 0.800 1444 E CB -0.341 29.400 29.700 0.069 0.000 0.746 1444 E HN 0.736 nan 8.360 nan 0.000 0.452 1445 Y N 1.237 121.545 120.300 0.013 0.000 2.181 1445 Y HA -0.230 4.322 4.550 0.004 0.000 0.288 1445 Y C 2.056 177.972 175.900 0.026 0.000 1.146 1445 Y CA 1.880 59.992 58.100 0.020 0.000 1.164 1445 Y CB 0.008 38.475 38.460 0.013 0.000 0.982 1445 Y HN 0.124 nan 8.280 nan 0.000 0.515 1446 N N 0.472 119.221 118.700 0.082 0.000 2.080 1446 N HA -0.225 4.517 4.740 0.004 0.000 0.189 1446 N C 1.851 177.341 175.510 -0.032 0.000 1.036 1446 N CA 1.631 54.681 53.050 0.000 0.000 0.846 1446 N CB -0.703 37.812 38.487 0.047 0.000 1.015 1446 N HN 0.538 nan 8.380 nan 0.000 0.423 1447 E N 0.955 121.152 120.200 -0.005 0.000 2.114 1447 E HA -0.180 4.172 4.350 0.004 0.000 0.199 1447 E C 2.036 178.630 176.600 -0.009 0.000 1.008 1447 E CA 0.881 57.272 56.400 -0.016 0.000 0.810 1447 E CB -0.120 29.568 29.700 -0.020 0.000 0.739 1447 E HN 0.277 nan 8.360 nan 0.000 0.456 1448 L N 0.337 121.551 121.223 -0.015 0.000 2.072 1448 L HA -0.143 4.199 4.340 0.004 0.000 0.205 1448 L C 2.512 179.364 176.870 -0.030 0.000 1.079 1448 L CA 0.623 55.474 54.840 0.019 0.000 0.752 1448 L CB -0.143 41.896 42.059 -0.034 0.000 0.906 1448 L HN 0.326 nan 8.230 nan 0.000 0.436 1449 L N -0.380 120.745 121.223 -0.164 0.000 2.046 1449 L HA -0.254 4.088 4.340 0.004 0.000 0.208 1449 L C 2.146 178.984 176.870 -0.054 0.000 1.077 1449 L CA 1.714 56.451 54.840 -0.172 0.000 0.747 1449 L CB -0.644 41.275 42.059 -0.233 0.000 0.896 1449 L HN 0.465 nan 8.230 nan 0.000 0.432 1450 N N -1.174 117.518 118.700 -0.012 0.000 2.120 1450 N HA -0.250 4.492 4.740 0.004 0.000 0.188 1450 N C 1.857 177.422 175.510 0.092 0.000 1.024 1450 N CA 0.905 53.971 53.050 0.026 0.000 0.852 1450 N CB -0.185 38.316 38.487 0.022 0.000 1.003 1450 N HN 0.201 nan 8.380 nan 0.000 0.424 1451 Y N 2.728 122.998 120.300 -0.051 0.000 2.036 1451 Y HA -0.145 4.408 4.550 0.004 0.000 0.273 1451 Y C 2.212 178.089 175.900 -0.038 0.000 1.135 1451 Y CA 1.129 59.206 58.100 -0.037 0.000 1.106 1451 Y CB -0.790 37.648 38.460 -0.037 0.000 0.976 1451 Y HN -0.041 nan 8.280 nan 0.000 0.483 1452 I N -0.824 119.717 120.570 -0.048 0.000 2.399 1452 I HA -0.343 3.829 4.170 0.004 0.000 0.254 1452 I C 2.701 178.745 176.117 -0.123 0.000 1.146 1452 I CA 1.631 62.820 61.300 -0.185 0.000 1.412 1452 I CB -0.808 37.114 38.000 -0.130 0.000 1.076 1452 I HN 0.201 nan 8.210 nan 0.000 0.432 1453 S N 0.627 116.292 115.700 -0.060 0.000 2.348 1453 S HA -0.195 4.277 4.470 0.004 0.000 0.221 1453 S C 1.931 176.507 174.600 -0.040 0.000 1.033 1453 S CA 1.442 59.617 58.200 -0.042 0.000 1.010 1453 S CB -0.128 63.060 63.200 -0.020 0.000 0.891 1453 S HN 0.431 nan 8.310 nan 0.000 0.442 1454 E N 0.708 120.898 120.200 -0.017 0.000 2.049 1454 E HA -0.175 4.177 4.350 0.004 0.000 0.198 1454 E C 2.146 178.724 176.600 -0.037 0.000 1.007 1454 E CA 1.582 57.981 56.400 -0.002 0.000 0.809 1454 E CB -0.431 29.306 29.700 0.061 0.000 0.749 1454 E HN 0.520 nan 8.360 nan 0.000 0.450 1455 L N 0.707 121.869 121.223 -0.102 0.000 2.131 1455 L HA -0.170 4.172 4.340 0.004 0.000 0.210 1455 L C 2.293 179.111 176.870 -0.088 0.000 1.092 1455 L CA 1.073 55.840 54.840 -0.121 0.000 0.759 1455 L CB -0.538 41.373 42.059 -0.247 0.000 0.903 1455 L HN 0.126 nan 8.230 nan 0.000 0.435 1456 E N -0.086 120.062 120.200 -0.087 0.000 2.072 1456 E HA -0.160 4.192 4.350 0.004 0.000 0.191 1456 E C 2.135 178.710 176.600 -0.041 0.000 0.985 1456 E CA 1.678 58.041 56.400 -0.062 0.000 0.801 1456 E CB -0.100 29.565 29.700 -0.059 0.000 0.750 1456 E HN 0.380 nan 8.360 nan 0.000 0.452 1457 T N 1.198 115.731 114.554 -0.034 0.000 2.867 1457 T HA -0.070 4.282 4.350 0.004 0.000 0.268 1457 T C 1.900 176.589 174.700 -0.019 0.000 1.057 1457 T CA 0.658 62.745 62.100 -0.022 0.000 1.136 1457 T CB -0.087 68.773 68.868 -0.014 0.000 0.874 1457 T HN 0.101 nan 8.240 nan 0.000 0.466 1458 I N 0.707 121.264 120.570 -0.022 0.000 2.133 1458 I HA -0.127 4.045 4.170 0.004 0.000 0.238 1458 I C 2.355 178.458 176.117 -0.022 0.000 1.074 1458 I CA 1.146 62.435 61.300 -0.018 0.000 1.342 1458 I CB -0.395 37.595 38.000 -0.016 0.000 1.053 1458 I HN 0.187 nan 8.210 nan 0.000 0.404 1459 L N 0.602 121.808 121.223 -0.029 0.000 2.079 1459 L HA -0.253 4.089 4.340 0.004 0.000 0.210 1459 L C 2.838 179.694 176.870 -0.024 0.000 1.081 1459 L CA 1.648 56.471 54.840 -0.028 0.000 0.752 1459 L CB -0.945 41.094 42.059 -0.033 0.000 0.896 1459 L HN 0.312 nan 8.230 nan 0.000 0.433 1460 A N -0.361 122.444 122.820 -0.024 0.000 1.824 1460 A HA -0.216 4.106 4.320 0.004 0.000 0.215 1460 A C 1.118 178.692 177.584 -0.016 0.000 1.209 1460 A CA 1.215 53.240 52.037 -0.020 0.000 0.614 1460 A CB -0.647 18.342 19.000 -0.019 0.000 0.852 1460 A HN 0.374 nan 8.150 nan 0.000 0.447 1461 D N 0.027 120.418 120.400 -0.015 0.000 2.346 1461 D HA 0.077 4.719 4.640 0.004 0.000 0.260 1461 D C 0.675 176.967 176.300 -0.014 0.000 1.252 1461 D CA -0.037 53.956 54.000 -0.013 0.000 0.895 1461 D CB 0.667 41.461 40.800 -0.010 0.000 1.097 1461 D HN 0.222 nan 8.370 nan 0.000 0.489 1462 E N 2.845 123.036 120.200 -0.014 0.000 2.265 1462 E HA -0.182 4.171 4.350 0.004 0.000 0.196 1462 E C 1.117 177.708 176.600 -0.016 0.000 0.996 1462 E CA 0.732 57.123 56.400 -0.016 0.000 0.832 1462 E CB 0.302 29.993 29.700 -0.015 0.000 0.756 1462 E HN 0.566 nan 8.360 nan 0.000 0.491 1463 E N -0.504 119.688 120.200 -0.013 0.000 2.400 1463 E HA 0.005 4.358 4.350 0.004 0.000 0.195 1463 E C 1.822 178.416 176.600 -0.011 0.000 1.012 1463 E CA 0.031 56.424 56.400 -0.012 0.000 0.875 1463 E CB 0.210 29.904 29.700 -0.010 0.000 0.859 1463 E HN -0.052 nan 8.360 nan 0.000 0.498 1464 V N 0.525 120.433 119.914 -0.010 0.000 2.323 1464 V HA -0.189 3.934 4.120 0.004 0.000 0.244 1464 V C 2.261 178.350 176.094 -0.008 0.000 1.041 1464 V CA 1.600 63.895 62.300 -0.008 0.000 1.025 1464 V CB -0.358 31.461 31.823 -0.008 0.000 0.656 1464 V HN 0.350 nan 8.190 nan 0.000 0.451 1465 L N -0.312 120.904 121.223 -0.013 0.000 1.970 1465 L HA -0.168 4.174 4.340 0.004 0.000 0.212 1465 L C 2.280 179.139 176.870 -0.018 0.000 1.071 1465 L CA 2.039 56.869 54.840 -0.016 0.000 0.751 1465 L CB -0.730 41.316 42.059 -0.021 0.000 0.889 1465 L HN 0.257 nan 8.230 nan 0.000 0.432 1466 L N -0.000 121.211 121.223 -0.020 0.000 2.151 1466 L HA -0.273 4.069 4.340 0.004 0.000 0.215 1466 L C 2.506 179.367 176.870 -0.014 0.000 1.084 1466 L CA 2.261 57.088 54.840 -0.020 0.000 0.764 1466 L CB -1.183 40.864 42.059 -0.019 0.000 0.891 1466 L HN 0.667 nan 8.230 nan 0.000 0.435 1467 Q N -1.060 118.734 119.800 -0.010 0.000 2.062 1467 Q HA -0.148 4.194 4.340 0.004 0.000 0.196 1467 Q C 2.105 178.104 176.000 -0.002 0.000 0.967 1467 Q CA 1.693 57.493 55.803 -0.005 0.000 0.832 1467 Q CB -0.761 27.974 28.738 -0.004 0.000 0.899 1467 Q HN 0.413 nan 8.270 nan 0.000 0.442 1468 L N -0.056 121.166 121.223 -0.001 0.000 2.043 1468 L HA -0.138 4.204 4.340 0.004 0.000 0.212 1468 L C 2.232 179.105 176.870 0.004 0.000 1.075 1468 L CA 1.490 56.333 54.840 0.004 0.000 0.752 1468 L CB -1.007 41.056 42.059 0.007 0.000 0.891 1468 L HN 0.173 nan 8.230 nan 0.000 0.432 1469 V N 0.086 119.997 119.914 -0.005 0.000 2.250 1469 V HA -0.422 3.700 4.120 0.004 0.000 0.253 1469 V C 2.733 178.832 176.094 0.008 0.000 1.065 1469 V CA 2.557 64.853 62.300 -0.008 0.000 1.039 1469 V CB -0.545 31.263 31.823 -0.026 0.000 0.647 1469 V HN 0.531 nan 8.190 nan 0.000 0.446 1470 R N -0.373 120.132 120.500 0.008 0.000 2.115 1470 R HA -0.124 4.218 4.340 0.004 0.000 0.230 1470 R C 1.966 178.276 176.300 0.017 0.000 1.111 1470 R CA 1.489 57.598 56.100 0.015 0.000 0.976 1470 R CB -0.415 29.890 30.300 0.009 0.000 0.870 1470 R HN 0.533 nan 8.270 nan 0.000 0.445 1471 D N 0.697 121.105 120.400 0.013 0.000 2.149 1471 D HA -0.112 4.530 4.640 0.004 0.000 0.201 1471 D C 1.675 177.985 176.300 0.017 0.000 0.972 1471 D CA 1.086 55.093 54.000 0.012 0.000 0.835 1471 D CB 0.045 40.851 40.800 0.009 0.000 0.966 1471 D HN 0.352 nan 8.370 nan 0.000 0.476 1472 E N 0.358 120.572 120.200 0.023 0.000 2.051 1472 E HA -0.027 4.326 4.350 0.004 0.000 0.189 1472 E C 2.408 179.039 176.600 0.051 0.000 0.979 1472 E CA 0.143 56.564 56.400 0.034 0.000 0.803 1472 E CB 0.029 29.750 29.700 0.036 0.000 0.761 1472 E HN 0.221 nan 8.360 nan 0.000 0.451 1473 L N 0.934 122.190 121.223 0.055 0.000 2.046 1473 L HA -0.171 4.171 4.340 0.004 0.000 0.208 1473 L C 2.461 179.367 176.870 0.060 0.000 1.077 1473 L CA 1.347 56.234 54.840 0.079 0.000 0.747 1473 L CB -0.485 41.625 42.059 0.086 0.000 0.896 1473 L HN 0.217 nan 8.230 nan 0.000 0.432 1474 T N -1.383 113.193 114.554 0.037 0.000 2.857 1474 T HA -0.158 4.194 4.350 0.004 0.000 0.266 1474 T C 1.749 176.455 174.700 0.010 0.000 1.048 1474 T CA 0.784 62.897 62.100 0.021 0.000 1.139 1474 T CB -0.053 68.823 68.868 0.012 0.000 0.874 1474 T HN 0.293 nan 8.240 nan 0.000 0.455 1475 E N 1.627 121.832 120.200 0.009 0.000 2.021 1475 E HA -0.170 4.182 4.350 0.004 0.000 0.200 1475 E C 2.223 178.815 176.600 -0.014 0.000 1.015 1475 E CA 1.204 57.600 56.400 -0.007 0.000 0.824 1475 E CB -0.341 29.356 29.700 -0.004 0.000 0.762 1475 E HN 0.274 nan 8.360 nan 0.000 0.454 1476 I N 1.302 121.885 120.570 0.021 0.000 2.091 1476 I HA -0.323 3.849 4.170 0.004 0.000 0.240 1476 I C 2.625 178.754 176.117 0.020 0.000 1.046 1476 I CA 1.486 62.815 61.300 0.049 0.000 1.306 1476 I CB -1.295 36.774 38.000 0.116 0.000 1.018 1476 I HN 0.257 nan 8.210 nan 0.000 0.404 1477 R N 0.711 121.223 120.500 0.021 0.000 2.447 1477 R HA -0.178 4.164 4.340 0.004 0.000 0.215 1477 R C 0.862 177.155 176.300 -0.011 0.000 1.130 1477 R CA 0.923 57.028 56.100 0.007 0.000 1.075 1477 R CB -0.090 30.217 30.300 0.011 0.000 0.824 1477 R HN 0.486 nan 8.270 nan 0.000 0.484 1478 D N -1.130 119.248 120.400 -0.037 0.000 2.995 1478 D HA -0.039 4.603 4.640 0.004 0.000 0.289 1478 D C 1.595 177.832 176.300 -0.105 0.000 1.116 1478 D CA 0.270 54.237 54.000 -0.056 0.000 0.994 1478 D CB -0.276 40.489 40.800 -0.057 0.000 1.209 1478 D HN 0.099 nan 8.370 nan 0.000 0.458 1479 R N -0.468 119.915 120.500 -0.196 0.000 2.148 1479 R HA -0.030 4.312 4.340 0.004 0.000 0.227 1479 R C 0.994 176.993 176.300 -0.502 0.000 1.103 1479 R CA 1.162 57.026 56.100 -0.392 0.000 0.983 1479 R CB -0.005 29.942 30.300 -0.588 0.000 0.874 1479 R HN 0.061 nan 8.270 nan 0.000 0.451 1480 F N -0.889 119.004 119.950 -0.094 0.000 2.746 1480 F HA 0.376 4.905 4.527 0.004 0.000 0.313 1480 F C 1.131 176.865 175.800 -0.110 0.000 1.095 1480 F CA -0.169 57.753 58.000 -0.130 0.000 1.224 1480 F CB 0.034 38.891 39.000 -0.239 0.000 1.060 1480 F HN -0.046 nan 8.300 nan 0.000 0.584 1481 G N 1.491 110.327 108.800 0.060 0.000 2.353 1481 G HA2 0.321 4.283 3.960 0.004 0.000 0.239 1481 G HA3 0.321 4.283 3.960 0.004 0.000 0.239 1481 G C -0.622 174.319 174.900 0.069 0.000 1.295 1481 G CA 0.026 45.151 45.100 0.041 0.000 0.884 1481 G HN 0.251 nan 8.290 nan 0.000 0.537 1482 D N 0.420 120.879 120.400 0.099 0.000 2.552 1482 D HA 0.415 5.058 4.640 0.004 0.000 0.239 1482 D C -0.592 175.751 176.300 0.072 0.000 1.139 1482 D CA -0.874 53.183 54.000 0.095 0.000 0.914 1482 D CB 0.984 41.864 40.800 0.133 0.000 1.461 1482 D HN 0.233 nan 8.370 nan 0.000 0.462 1483 D N -0.544 119.884 120.400 0.046 0.000 2.414 1483 D HA 0.238 4.880 4.640 0.004 0.000 0.259 1483 D C 0.260 176.572 176.300 0.020 0.000 1.269 1483 D CA -0.317 53.700 54.000 0.028 0.000 1.028 1483 D CB 0.487 41.298 40.800 0.018 0.000 1.093 1483 D HN 0.396 nan 8.370 nan 0.000 0.545 1484 R N -0.356 120.148 120.500 0.006 0.000 2.531 1484 R HA 0.297 4.639 4.340 0.004 0.000 0.273 1484 R C 0.658 176.949 176.300 -0.015 0.000 1.070 1484 R CA -0.165 55.928 56.100 -0.012 0.000 1.112 1484 R CB 0.696 30.988 30.300 -0.012 0.000 1.049 1484 R HN 0.344 nan 8.270 nan 0.000 0.508 1485 R N 0.621 121.103 120.500 -0.030 0.000 2.276 1485 R HA 0.134 4.477 4.340 0.004 0.000 0.195 1485 R C -0.099 176.200 176.300 -0.002 0.000 0.908 1485 R CA 0.203 56.294 56.100 -0.015 0.000 1.083 1485 R CB 0.401 30.688 30.300 -0.022 0.000 1.182 1485 R HN 0.496 nan 8.270 nan 0.000 0.608 1486 T N 2.799 117.349 114.554 -0.006 0.000 2.776 1486 T HA 0.047 4.400 4.350 0.004 0.000 0.292 1486 T C -0.226 174.485 174.700 0.020 0.000 0.921 1486 T CA -0.049 62.073 62.100 0.037 0.000 1.038 1486 T CB 0.844 69.780 68.868 0.113 0.000 0.910 1486 T HN 0.106 nan 8.240 nan 0.000 0.536 1487 E N 4.003 124.215 120.200 0.021 0.000 2.299 1487 E HA 0.078 4.430 4.350 0.004 0.000 0.272 1487 E C -0.321 176.292 176.600 0.022 0.000 1.043 1487 E CA -0.324 56.085 56.400 0.016 0.000 0.895 1487 E CB 0.397 30.104 29.700 0.012 0.000 1.011 1487 E HN 0.582 nan 8.360 nan 0.000 0.432 1488 I N 5.876 126.460 120.570 0.022 0.000 2.260 1488 I HA 0.023 4.195 4.170 0.004 0.000 0.297 1488 I C 1.151 177.280 176.117 0.021 0.000 1.143 1488 I CA -0.206 61.111 61.300 0.028 0.000 1.271 1488 I CB 0.233 38.254 38.000 0.034 0.000 1.461 1488 I HN 0.528 nan 8.210 nan 0.000 0.530 1489 Q N 4.780 124.589 119.800 0.015 0.000 2.839 1489 Q HA 0.267 4.609 4.340 0.004 0.000 0.229 1489 Q C -0.540 175.468 176.000 0.014 0.000 1.140 1489 Q CA 0.239 56.048 55.803 0.010 0.000 1.077 1489 Q CB 0.903 29.641 28.738 -0.000 0.000 1.335 1489 Q HN 0.568 nan 8.270 nan 0.000 0.610 1490 L N -3.583 117.647 121.223 0.012 0.000 2.424 1490 L HA 0.944 5.286 4.340 0.004 0.000 0.258 1490 L C -0.411 176.466 176.870 0.012 0.000 0.995 1490 L CA -0.285 54.563 54.840 0.014 0.000 0.821 1490 L CB 2.214 44.282 42.059 0.016 0.000 1.383 1490 L HN 0.690 nan 8.230 nan 0.000 0.410 1491 G N 0.000 108.808 108.800 0.013 0.000 5.446 1491 G HA2 0.000 3.962 3.960 0.004 0.000 0.244 1491 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 1491 G CA 0.000 45.107 45.100 0.012 0.000 0.502 1491 G HN 0.000 nan 8.290 nan 0.000 0.925