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 2fnq_1_B DATA FIRST_RESID 374 DATA SEQUENCE AIYNVEVETG DREHAGTDAT ITIRITGAKG RTDYLKLDKW FHNDFEAGSK DATA SEQUENCE EQYTVQGFDV GDIQLIELHS DGGGYWXXDP DWFVNRVIII SSTQDRVYSF DATA SEQUENCE PCFRWVIKDM VLFPGEATLP FNEVPAIVSE QRQKELEQRK LTYQWDYVSD DATA SEQUENCE DMPGNIKAKT HDDLPRDVQF TDEKSRSYQE SRKAALVNLG IGSLFTMFEN DATA SEQUENCE WDSYDDYHIL YRNWILGGTP NMADRWHEDR WFGYQFLNGA NPVILTRCDA DATA SEQUENCE LPSNFPVTNE HVNASLDRXX NLDEEIKDGH IYIVDFKVLV GAKSYXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXADIRY CAAPLALFYV NKLGHLMPIA IQINQEPGPE DATA SEQUENCE NPIWTPHEEN EHDWMMAKFW LGVAESNFHQ LNTHLLRTHL TTESFALSTW DATA SEQUENCE RNLASAHPVF KLLQPHIYGV LAIDTIGRKE LIGSGGIVDQ SLSLGGGGHV DATA SEQUENCE TFMEKCFKEV NLQDYHLPNA LKKRGVDDPS KLPGFYYRDD GLALWEAIET DATA SEQUENCE FIGEIIAIFY KNDDDVKRDN EIQSWIYDVH KNGWRVNPGH QDHGVPASFE DATA SEQUENCE SREQLKEVLT SLVFTFSCQH AAVNFSQKDH YGFTPNAPAV LRHPPPKKKG DATA SEQUENCE EATLQSILST LPSKSQAAKA IATVYILTKF SEDERYLGNY SATAWEDKDA DATA SEQUENCE LDAINRFQDK LEDISKKIKQ RNENLEVPYI YLLPERIPNG TAI 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 374 A HA 0.000 nan 4.320 nan 0.000 0.244 374 A C 0.000 177.287 177.584 -0.495 0.000 1.274 374 A CA 0.000 51.851 52.037 -0.311 0.000 0.836 374 A CB 0.000 18.916 19.000 -0.141 0.000 0.831 375 I N 1.769 122.117 120.570 -0.371 0.000 8.182 375 I HA -0.268 3.903 4.170 0.001 0.000 0.126 375 I C -1.191 174.705 176.117 -0.369 0.000 1.835 375 I CA 0.950 62.096 61.300 -0.257 0.000 2.072 375 I CB -0.865 37.045 38.000 -0.149 0.000 3.753 375 I HN 0.652 nan 8.210 nan 0.000 0.180 376 Y N 5.100 125.407 120.300 0.011 0.000 2.446 376 Y HA 0.459 5.010 4.550 0.001 0.000 0.345 376 Y C 0.630 176.552 175.900 0.036 0.000 0.984 376 Y CA -0.721 57.391 58.100 0.019 0.000 1.058 376 Y CB 1.458 39.912 38.460 -0.009 0.000 1.220 376 Y HN 0.345 nan 8.280 nan 0.000 0.455 377 N N 1.780 120.608 118.700 0.213 0.000 2.426 377 N HA 0.445 5.185 4.740 0.001 0.000 0.257 377 N C -1.559 174.054 175.510 0.172 0.000 1.002 377 N CA -0.409 52.735 53.050 0.157 0.000 0.942 377 N CB 1.252 39.811 38.487 0.119 0.000 1.112 377 N HN 0.242 nan 8.380 nan 0.000 0.499 378 V N 2.464 122.483 119.914 0.174 0.000 2.313 378 V HA 0.164 4.284 4.120 0.001 0.000 0.278 378 V C 0.141 176.371 176.094 0.227 0.000 1.017 378 V CA -0.703 61.696 62.300 0.164 0.000 0.823 378 V CB 1.036 32.927 31.823 0.114 0.000 1.010 378 V HN 0.664 nan 8.190 nan 0.000 0.443 379 E N 4.354 124.667 120.200 0.188 0.000 2.152 379 E HA 0.416 4.766 4.350 0.001 0.000 0.285 379 E C -1.142 175.581 176.600 0.206 0.000 1.043 379 E CA -0.395 56.120 56.400 0.192 0.000 0.839 379 E CB 1.347 31.130 29.700 0.138 0.000 1.069 379 E HN 0.522 nan 8.360 nan 0.000 0.399 380 V N 5.792 125.891 119.914 0.308 0.000 2.266 380 V HA 0.159 4.280 4.120 0.001 0.000 0.271 380 V C -0.027 176.264 176.094 0.327 0.000 1.032 380 V CA -0.700 61.796 62.300 0.327 0.000 0.806 380 V CB 0.764 32.931 31.823 0.573 0.000 1.052 380 V HN 0.715 nan 8.190 nan 0.000 0.449 381 E N 3.058 123.348 120.200 0.151 0.000 2.259 381 E HA 0.323 4.673 4.350 0.001 0.000 0.281 381 E C -0.478 176.158 176.600 0.061 0.000 1.037 381 E CA -0.297 56.171 56.400 0.114 0.000 0.854 381 E CB 0.946 30.669 29.700 0.038 0.000 1.051 381 E HN 0.585 nan 8.360 nan 0.000 0.409 382 T N 3.471 118.127 114.554 0.170 0.000 2.829 382 T HA 0.406 4.757 4.350 0.001 0.000 0.282 382 T C 0.288 175.053 174.700 0.108 0.000 0.990 382 T CA -0.383 61.815 62.100 0.164 0.000 1.028 382 T CB 1.505 70.632 68.868 0.433 0.000 0.951 382 T HN 0.628 nan 8.240 nan 0.000 0.460 383 G N 1.261 110.118 108.800 0.094 0.000 2.630 383 G HA2 0.125 4.085 3.960 0.001 0.000 0.236 383 G HA3 0.125 4.085 3.960 0.001 0.000 0.236 383 G C 0.678 175.640 174.900 0.104 0.000 1.248 383 G CA -0.558 44.642 45.100 0.166 0.000 0.844 383 G HN 0.858 nan 8.290 nan 0.000 0.588 384 D N 0.055 120.493 120.400 0.063 0.000 2.340 384 D HA -0.017 4.623 4.640 0.001 0.000 0.217 384 D C 0.751 177.058 176.300 0.012 0.000 1.081 384 D CA -0.240 53.788 54.000 0.046 0.000 0.842 384 D CB 0.272 41.100 40.800 0.046 0.000 0.934 384 D HN 0.275 nan 8.370 nan 0.000 0.511 385 R N 1.006 121.477 120.500 -0.047 0.000 2.679 385 R HA 0.263 4.603 4.340 0.001 0.000 0.268 385 R C 0.684 177.026 176.300 0.070 0.000 1.044 385 R CA 0.322 56.396 56.100 -0.043 0.000 1.105 385 R CB 0.120 30.296 30.300 -0.208 0.000 0.989 385 R HN 0.265 nan 8.270 nan 0.000 0.447 386 E N 2.668 122.917 120.200 0.082 0.000 2.417 386 E HA -0.047 4.304 4.350 0.001 0.000 0.261 386 E C 0.303 176.974 176.600 0.118 0.000 1.000 386 E CA 0.084 56.465 56.400 -0.031 0.000 0.919 386 E CB -0.346 29.298 29.700 -0.093 0.000 0.955 386 E HN 0.915 nan 8.360 nan 0.000 0.455 387 H N -0.122 119.082 119.070 0.223 0.000 4.035 387 H HA -0.226 4.331 4.556 0.001 0.000 0.138 387 H C 1.848 177.467 175.328 0.484 0.000 0.736 387 H CA 1.277 57.510 56.048 0.308 0.000 1.252 387 H CB -1.864 28.063 29.762 0.274 0.000 0.742 387 H HN 1.038 nan 8.280 nan 0.000 0.535 388 A N 1.701 124.794 122.820 0.454 0.000 2.054 388 A HA -0.005 4.316 4.320 0.001 0.000 0.223 388 A C 1.857 179.668 177.584 0.378 0.000 1.169 388 A CA 1.960 54.137 52.037 0.235 0.000 0.655 388 A CB -0.641 18.404 19.000 0.075 0.000 0.812 388 A HN 0.553 nan 8.150 nan 0.000 0.462 389 G N -2.115 106.892 108.800 0.344 0.000 2.502 389 G HA2 0.509 4.470 3.960 0.001 0.000 0.305 389 G HA3 0.509 4.470 3.960 0.001 0.000 0.305 389 G C -0.007 175.045 174.900 0.254 0.000 1.190 389 G CA 0.391 45.684 45.100 0.321 0.000 0.933 389 G HN 0.663 nan 8.290 nan 0.000 0.503 390 T N -2.844 111.763 114.554 0.088 0.000 2.669 390 T HA 0.626 4.977 4.350 0.001 0.000 0.283 390 T C -0.881 173.791 174.700 -0.047 0.000 1.019 390 T CA -0.631 61.467 62.100 -0.004 0.000 1.039 390 T CB 2.437 71.212 68.868 -0.155 0.000 1.374 390 T HN 0.247 nan 8.240 nan 0.000 0.523 391 D N -0.405 119.959 120.400 -0.061 0.000 2.704 391 D HA 0.442 5.083 4.640 0.001 0.000 0.291 391 D C 0.095 176.363 176.300 -0.054 0.000 1.610 391 D CA -0.277 53.697 54.000 -0.044 0.000 0.807 391 D CB 0.740 41.529 40.800 -0.018 0.000 1.233 391 D HN 0.866 nan 8.370 nan 0.000 0.445 392 A N -0.126 122.627 122.820 -0.112 0.000 2.304 392 A HA 0.566 4.886 4.320 0.001 0.000 0.271 392 A C 0.476 177.974 177.584 -0.144 0.000 1.091 392 A CA -0.048 51.916 52.037 -0.122 0.000 0.812 392 A CB 0.404 19.312 19.000 -0.154 0.000 1.056 392 A HN 0.031 nan 8.150 nan 0.000 0.489 393 T N 2.098 116.586 114.554 -0.110 0.000 2.727 393 T HA 0.387 4.738 4.350 0.001 0.000 0.295 393 T C -0.170 174.444 174.700 -0.144 0.000 0.915 393 T CA 0.357 62.408 62.100 -0.082 0.000 1.066 393 T CB -0.495 68.351 68.868 -0.035 0.000 0.891 393 T HN 0.328 nan 8.240 nan 0.000 0.516 394 I N 4.166 124.632 120.570 -0.174 0.000 2.385 394 I HA 0.443 4.613 4.170 0.001 0.000 0.294 394 I C 0.848 176.921 176.117 -0.072 0.000 0.988 394 I CA -0.128 61.021 61.300 -0.252 0.000 1.265 394 I CB 1.534 39.102 38.000 -0.719 0.000 1.388 394 I HN 0.732 nan 8.210 nan 0.000 0.480 395 T N 4.694 119.262 114.554 0.023 0.000 2.909 395 T HA 0.728 5.078 4.350 0.001 0.000 0.299 395 T C -0.654 174.166 174.700 0.200 0.000 1.073 395 T CA -0.675 61.505 62.100 0.133 0.000 0.999 395 T CB 1.408 70.410 68.868 0.224 0.000 1.098 395 T HN 0.483 nan 8.240 nan 0.000 0.477 396 I N 1.124 121.732 120.570 0.063 0.000 2.693 396 I HA 0.711 4.882 4.170 0.001 0.000 0.303 396 I C -0.723 175.173 176.117 -0.368 0.000 1.025 396 I CA -1.464 59.768 61.300 -0.113 0.000 1.086 396 I CB 1.915 39.815 38.000 -0.168 0.000 1.268 396 I HN 0.821 nan 8.210 nan 0.000 0.440 397 R N 7.845 127.942 120.500 -0.671 0.000 2.468 397 R HA 0.509 4.850 4.340 0.001 0.000 0.302 397 R C -1.552 174.429 176.300 -0.532 0.000 1.041 397 R CA -0.583 55.037 56.100 -0.799 0.000 0.899 397 R CB 0.969 30.363 30.300 -1.510 0.000 1.167 397 R HN 0.617 nan 8.270 nan 0.000 0.483 398 I N 3.485 123.780 120.570 -0.458 0.000 2.474 398 I HA 0.197 4.367 4.170 0.001 0.000 0.287 398 I C 0.030 175.965 176.117 -0.304 0.000 1.048 398 I CA 0.134 61.167 61.300 -0.446 0.000 1.383 398 I CB 1.731 39.333 38.000 -0.663 0.000 1.412 398 I HN 0.538 nan 8.210 nan 0.000 0.531 399 T N 3.996 118.415 114.554 -0.225 0.000 2.893 399 T HA 0.763 5.114 4.350 0.001 0.000 0.291 399 T C 0.111 174.765 174.700 -0.077 0.000 1.028 399 T CA -0.611 61.415 62.100 -0.124 0.000 0.995 399 T CB 2.141 70.960 68.868 -0.082 0.000 1.051 399 T HN 0.941 nan 8.240 nan 0.000 0.470 400 G N 0.110 108.886 108.800 -0.040 0.000 2.529 400 G HA2 0.608 4.568 3.960 0.001 0.000 0.238 400 G HA3 0.608 4.568 3.960 0.001 0.000 0.238 400 G C 0.730 175.634 174.900 0.008 0.000 1.207 400 G CA 0.149 45.243 45.100 -0.011 0.000 0.928 400 G HN 0.760 nan 8.290 nan 0.000 0.495 401 A N 0.131 122.965 122.820 0.022 0.000 1.836 401 A HA 0.034 4.355 4.320 0.001 0.000 0.215 401 A C 2.070 179.667 177.584 0.021 0.000 1.214 401 A CA 2.384 54.436 52.037 0.026 0.000 0.636 401 A CB -0.722 18.300 19.000 0.037 0.000 0.847 401 A HN 0.399 nan 8.150 nan 0.000 0.451 402 K N 0.008 120.424 120.400 0.026 0.000 2.519 402 K HA 0.103 4.424 4.320 0.001 0.000 0.196 402 K C 0.933 177.543 176.600 0.017 0.000 1.041 402 K CA 0.886 57.186 56.287 0.023 0.000 0.954 402 K CB -0.629 31.888 32.500 0.028 0.000 0.774 402 K HN 0.836 nan 8.250 nan 0.000 0.480 403 G N -0.945 107.863 108.800 0.012 0.000 2.302 403 G HA2 0.259 4.220 3.960 0.001 0.000 0.276 403 G HA3 0.259 4.220 3.960 0.001 0.000 0.276 403 G C -1.393 173.501 174.900 -0.011 0.000 1.316 403 G CA -0.439 44.663 45.100 0.003 0.000 0.988 403 G HN 0.387 nan 8.290 nan 0.000 0.479 404 R N -1.096 119.391 120.500 -0.022 0.000 2.854 404 R HA 0.973 5.313 4.340 0.001 0.000 0.271 404 R C 0.992 177.263 176.300 -0.047 0.000 0.996 404 R CA 0.829 56.895 56.100 -0.057 0.000 0.961 404 R CB 0.768 31.027 30.300 -0.069 0.000 1.182 404 R HN 2.138 nan 8.270 nan 0.000 0.479 405 T N -1.657 112.846 114.554 -0.085 0.000 3.204 405 T HA 0.545 4.896 4.350 0.001 0.000 0.312 405 T C -0.490 174.174 174.700 -0.061 0.000 1.254 405 T CA -0.223 61.848 62.100 -0.049 0.000 0.913 405 T CB 0.687 69.527 68.868 -0.046 0.000 2.143 405 T HN 0.534 nan 8.240 nan 0.000 0.569 406 D N -0.295 120.082 120.400 -0.039 0.000 2.575 406 D HA 0.319 4.960 4.640 0.001 0.000 0.236 406 D C -1.098 175.204 176.300 0.003 0.000 1.075 406 D CA -0.433 53.576 54.000 0.015 0.000 0.860 406 D CB 1.012 41.852 40.800 0.066 0.000 1.475 406 D HN 0.512 nan 8.370 nan 0.000 0.474 407 Y N 0.794 121.077 120.300 -0.027 0.000 2.865 407 Y HA -0.048 4.502 4.550 0.001 0.000 0.338 407 Y C 0.615 176.514 175.900 -0.001 0.000 1.269 407 Y CA 0.509 58.596 58.100 -0.022 0.000 1.585 407 Y CB -0.103 38.351 38.460 -0.010 0.000 1.224 407 Y HN 0.046 nan 8.280 nan 0.000 0.554 408 L N 4.909 126.175 121.223 0.072 0.000 2.282 408 L HA 0.368 4.708 4.340 0.001 0.000 0.288 408 L C 0.233 177.149 176.870 0.077 0.000 1.033 408 L CA -1.040 53.841 54.840 0.068 0.000 0.807 408 L CB 1.237 43.318 42.059 0.036 0.000 1.209 408 L HN 0.473 nan 8.230 nan 0.000 0.423 409 K N 4.101 124.554 120.400 0.087 0.000 2.412 409 K HA 0.278 4.599 4.320 0.001 0.000 0.284 409 K C -0.957 175.685 176.600 0.070 0.000 1.046 409 K CA -0.329 56.006 56.287 0.080 0.000 0.999 409 K CB 0.408 32.964 32.500 0.093 0.000 0.941 409 K HN 0.525 nan 8.250 nan 0.000 0.474 410 L N 4.634 125.870 121.223 0.021 0.000 2.257 410 L HA 0.276 4.616 4.340 0.001 0.000 0.290 410 L C -0.634 176.251 176.870 0.025 0.000 1.044 410 L CA -0.211 54.578 54.840 -0.086 0.000 0.810 410 L CB 0.987 42.819 42.059 -0.379 0.000 1.193 410 L HN 0.736 nan 8.230 nan 0.000 0.425 411 D N 2.139 122.754 120.400 0.358 0.000 2.301 411 D HA 0.127 4.767 4.640 0.001 0.000 0.187 411 D C -1.167 175.249 176.300 0.193 0.000 1.264 411 D CA -0.662 53.561 54.000 0.371 0.000 0.849 411 D CB 1.050 41.960 40.800 0.184 0.000 1.828 411 D HN -0.003 nan 8.370 nan 0.000 0.526 412 K N 2.925 123.400 120.400 0.125 0.000 2.322 412 K HA 0.230 4.550 4.320 0.001 0.000 0.283 412 K C 0.178 176.840 176.600 0.104 0.000 1.042 412 K CA -0.377 55.848 56.287 -0.103 0.000 0.958 412 K CB 0.444 32.781 32.500 -0.272 0.000 0.984 412 K HN 0.422 nan 8.250 nan 0.000 0.473 413 W N 2.228 123.546 121.300 0.029 0.000 2.079 413 W HA 0.047 4.708 4.660 0.001 0.000 0.354 413 W C 0.647 177.183 176.519 0.028 0.000 1.302 413 W CA -0.963 56.336 57.345 -0.077 0.000 1.281 413 W CB -0.644 28.805 29.460 -0.020 0.000 1.165 413 W HN 0.545 nan 8.180 nan 0.000 0.603 414 F N 0.227 120.355 119.950 0.296 0.000 2.925 414 F HA -0.288 4.239 4.527 0.001 0.000 0.239 414 F C 0.284 176.204 175.800 0.199 0.000 1.009 414 F CA 1.645 59.753 58.000 0.180 0.000 0.847 414 F CB -2.223 36.862 39.000 0.142 0.000 0.719 414 F HN 0.361 nan 8.300 nan 0.000 0.826 415 H N -0.289 118.844 119.070 0.104 0.000 3.038 415 H HA 0.394 4.951 4.556 0.001 0.000 0.362 415 H C -0.864 174.467 175.328 0.006 0.000 1.167 415 H CA -1.313 54.764 56.048 0.048 0.000 1.197 415 H CB 1.046 30.809 29.762 0.001 0.000 1.840 415 H HN 0.040 nan 8.280 nan 0.000 0.540 416 N N 3.528 121.849 118.700 -0.633 0.000 2.521 416 N HA 0.090 4.830 4.740 0.001 0.000 0.236 416 N C -1.166 173.841 175.510 -0.839 0.000 1.067 416 N CA -0.209 52.534 53.050 -0.511 0.000 0.939 416 N CB 0.210 38.549 38.487 -0.247 0.000 1.201 416 N HN 0.649 nan 8.380 nan 0.000 0.511 417 D N 1.769 121.802 120.400 -0.612 0.000 2.357 417 D HA 0.139 4.780 4.640 0.001 0.000 0.242 417 D C 0.249 176.363 176.300 -0.311 0.000 1.153 417 D CA 0.196 53.888 54.000 -0.512 0.000 0.918 417 D CB 0.218 40.739 40.800 -0.464 0.000 1.181 417 D HN 0.396 nan 8.370 nan 0.000 0.435 418 F N -0.915 119.070 119.950 0.059 0.000 2.866 418 F HA -0.231 4.297 4.527 0.001 0.000 0.254 418 F C 0.789 176.598 175.800 0.016 0.000 1.009 418 F CA 0.264 58.282 58.000 0.031 0.000 0.907 418 F CB -1.055 37.740 39.000 -0.342 0.000 0.859 418 F HN 0.249 nan 8.300 nan 0.000 0.842 419 E N 0.152 120.443 120.200 0.152 0.000 2.284 419 E HA 0.746 5.097 4.350 0.001 0.000 0.255 419 E C 1.368 178.054 176.600 0.144 0.000 1.052 419 E CA 0.268 56.733 56.400 0.108 0.000 0.904 419 E CB 0.860 30.577 29.700 0.028 0.000 1.217 419 E HN 0.188 nan 8.360 nan 0.000 0.438 420 A N 0.818 123.698 122.820 0.099 0.000 2.028 420 A HA -0.301 4.019 4.320 0.001 0.000 0.296 420 A C 1.239 178.892 177.584 0.115 0.000 3.464 420 A CA 3.037 55.127 52.037 0.088 0.000 1.008 420 A CB -1.408 17.625 19.000 0.054 0.000 0.658 420 A HN 0.628 nan 8.150 nan 0.000 0.482 421 G N -1.659 107.205 108.800 0.108 0.000 4.904 421 G HA2 0.516 4.476 3.960 0.001 0.000 0.265 421 G HA3 0.516 4.476 3.960 0.001 0.000 0.265 421 G C 0.105 175.079 174.900 0.123 0.000 1.227 421 G CA 1.103 46.270 45.100 0.113 0.000 0.926 421 G HN 1.379 nan 8.290 nan 0.000 0.581 422 S N 0.013 115.809 115.700 0.160 0.000 2.598 422 S HA 0.518 4.989 4.470 0.001 0.000 0.256 422 S C 0.027 174.730 174.600 0.171 0.000 1.350 422 S CA -0.061 58.237 58.200 0.163 0.000 0.984 422 S CB 1.784 65.101 63.200 0.195 0.000 0.930 422 S HN 0.389 nan 8.310 nan 0.000 0.577 423 K N 0.629 121.120 120.400 0.151 0.000 2.670 423 K HA 0.315 4.635 4.320 0.001 0.000 0.274 423 K C -1.851 174.815 176.600 0.111 0.000 1.068 423 K CA -0.171 56.201 56.287 0.142 0.000 0.967 423 K CB 1.245 33.803 32.500 0.096 0.000 1.297 423 K HN 0.723 nan 8.250 nan 0.000 0.477 424 E N 1.918 122.214 120.200 0.161 0.000 2.277 424 E HA 0.252 4.603 4.350 0.001 0.000 0.266 424 E C -1.657 174.985 176.600 0.070 0.000 0.901 424 E CA -0.535 55.886 56.400 0.034 0.000 0.782 424 E CB 1.864 31.536 29.700 -0.047 0.000 1.228 424 E HN 0.410 nan 8.360 nan 0.000 0.424 425 Q N 2.763 122.496 119.800 -0.112 0.000 2.466 425 Q HA 0.295 4.636 4.340 0.001 0.000 0.242 425 Q C -1.860 174.063 176.000 -0.128 0.000 1.046 425 Q CA -0.315 55.471 55.803 -0.029 0.000 0.841 425 Q CB 0.179 28.891 28.738 -0.043 0.000 1.193 425 Q HN 0.444 nan 8.270 nan 0.000 0.508 426 Y N 1.718 122.021 120.300 0.007 0.000 2.341 426 Y HA 0.382 4.933 4.550 0.001 0.000 0.340 426 Y C 0.290 176.194 175.900 0.006 0.000 0.997 426 Y CA -0.540 57.554 58.100 -0.010 0.000 1.149 426 Y CB 1.734 40.214 38.460 0.035 0.000 1.171 426 Y HN 0.384 nan 8.280 nan 0.000 0.494 427 T N 4.359 118.963 114.554 0.084 0.000 2.744 427 T HA 0.485 4.836 4.350 0.001 0.000 0.291 427 T C -0.750 173.995 174.700 0.076 0.000 0.957 427 T CA -0.415 61.724 62.100 0.066 0.000 1.002 427 T CB 0.661 69.529 68.868 -0.000 0.000 0.919 427 T HN 0.447 nan 8.240 nan 0.000 0.468 428 V N 3.556 123.540 119.914 0.116 0.000 3.040 428 V HA 0.676 4.797 4.120 0.001 0.000 0.312 428 V C -1.347 174.825 176.094 0.131 0.000 1.115 428 V CA -0.785 61.585 62.300 0.116 0.000 0.998 428 V CB 2.342 34.242 31.823 0.128 0.000 1.042 428 V HN 0.865 nan 8.190 nan 0.000 0.433 429 Q N 2.294 122.156 119.800 0.103 0.000 2.323 429 Q HA 0.739 5.079 4.340 0.001 0.000 0.271 429 Q C -0.673 175.388 176.000 0.101 0.000 1.048 429 Q CA -0.027 55.817 55.803 0.068 0.000 0.792 429 Q CB 2.025 30.772 28.738 0.015 0.000 1.280 429 Q HN 1.105 nan 8.270 nan 0.000 0.441 430 G N 0.850 109.728 108.800 0.130 0.000 2.706 430 G HA2 0.620 4.581 3.960 0.001 0.000 0.307 430 G HA3 0.620 4.581 3.960 0.001 0.000 0.307 430 G C -0.849 174.123 174.900 0.120 0.000 1.307 430 G CA -0.298 44.885 45.100 0.139 0.000 0.790 430 G HN 0.678 nan 8.290 nan 0.000 0.503 431 F N -0.337 119.677 119.950 0.108 0.000 2.633 431 F HA 0.417 4.944 4.527 0.001 0.000 0.338 431 F C 0.593 176.466 175.800 0.121 0.000 1.206 431 F CA 0.836 58.884 58.000 0.080 0.000 1.378 431 F CB 0.167 39.203 39.000 0.059 0.000 1.116 431 F HN 0.460 nan 8.300 nan 0.000 0.615 432 D N 2.049 122.490 120.400 0.070 0.000 2.494 432 D HA 0.388 5.029 4.640 0.001 0.000 0.217 432 D C -0.119 176.250 176.300 0.115 0.000 1.153 432 D CA 0.048 54.094 54.000 0.077 0.000 0.954 432 D CB 0.300 41.105 40.800 0.009 0.000 1.034 432 D HN 0.333 nan 8.370 nan 0.000 0.518 433 V N 3.725 123.755 119.914 0.194 0.000 2.599 433 V HA 0.162 4.282 4.120 0.001 0.000 0.300 433 V C 1.996 178.142 176.094 0.088 0.000 1.034 433 V CA 0.601 62.957 62.300 0.094 0.000 1.115 433 V CB 1.082 32.916 31.823 0.018 0.000 0.934 433 V HN 0.666 nan 8.190 nan 0.000 0.485 434 G N 3.726 112.559 108.800 0.054 0.000 2.982 434 G HA2 -0.298 3.662 3.960 0.001 0.000 0.193 434 G HA3 -0.298 3.662 3.960 0.001 0.000 0.193 434 G C 0.914 175.864 174.900 0.084 0.000 1.431 434 G CA 1.225 46.361 45.100 0.060 0.000 0.787 434 G HN 0.812 nan 8.290 nan 0.000 0.720 435 D N -0.265 120.187 120.400 0.087 0.000 2.363 435 D HA 0.133 4.774 4.640 0.001 0.000 0.214 435 D C 0.581 176.947 176.300 0.110 0.000 1.093 435 D CA -0.603 53.493 54.000 0.160 0.000 0.837 435 D CB -0.203 40.695 40.800 0.164 0.000 0.948 435 D HN 0.214 nan 8.370 nan 0.000 0.507 436 I N 1.358 121.897 120.570 -0.050 0.000 8.192 436 I HA -0.283 3.888 4.170 0.001 0.000 0.126 436 I C 0.521 176.647 176.117 0.016 0.000 1.847 436 I CA 0.468 61.654 61.300 -0.191 0.000 2.049 436 I CB -1.314 36.202 38.000 -0.807 0.000 3.776 436 I HN 0.379 nan 8.210 nan 0.000 0.173 437 Q N 4.585 124.413 119.800 0.047 0.000 2.352 437 Q HA 0.340 4.681 4.340 0.001 0.000 0.212 437 Q C 0.052 176.165 176.000 0.189 0.000 0.888 437 Q CA 0.373 56.237 55.803 0.102 0.000 0.934 437 Q CB 0.695 29.465 28.738 0.054 0.000 1.093 437 Q HN 0.671 nan 8.270 nan 0.000 0.523 438 L N -2.294 119.047 121.223 0.198 0.000 2.948 438 L HA 0.414 4.754 4.340 0.001 0.000 0.248 438 L C -1.363 175.523 176.870 0.027 0.000 0.977 438 L CA -1.070 53.945 54.840 0.291 0.000 1.002 438 L CB 0.573 42.847 42.059 0.360 0.000 1.519 438 L HN 0.032 nan 8.230 nan 0.000 0.422 439 I N -1.584 118.909 120.570 -0.128 0.000 3.100 439 I HA 0.904 5.075 4.170 0.001 0.000 0.312 439 I C -0.893 175.055 176.117 -0.281 0.000 1.063 439 I CA -0.574 60.502 61.300 -0.374 0.000 1.031 439 I CB 2.284 39.831 38.000 -0.756 0.000 1.243 439 I HN 0.795 nan 8.210 nan 0.000 0.483 440 E N 2.802 122.820 120.200 -0.303 0.000 2.317 440 E HA 0.472 4.823 4.350 0.001 0.000 0.270 440 E C -1.539 174.997 176.600 -0.107 0.000 0.899 440 E CA -0.509 55.782 56.400 -0.182 0.000 0.814 440 E CB 2.517 32.132 29.700 -0.142 0.000 1.296 440 E HN 0.456 nan 8.360 nan 0.000 0.404 441 L N 2.748 123.948 121.223 -0.038 0.000 2.312 441 L HA 0.467 4.807 4.340 0.001 0.000 0.281 441 L C -0.394 176.613 176.870 0.228 0.000 1.070 441 L CA -0.682 54.192 54.840 0.058 0.000 0.805 441 L CB 0.650 42.688 42.059 -0.035 0.000 1.174 441 L HN 0.543 nan 8.230 nan 0.000 0.434 442 H N 1.711 120.880 119.070 0.165 0.000 2.689 442 H HA 0.400 4.956 4.556 0.001 0.000 0.346 442 H C -0.616 174.725 175.328 0.021 0.000 1.037 442 H CA -0.256 55.844 56.048 0.088 0.000 1.234 442 H CB 1.964 31.724 29.762 -0.004 0.000 1.572 442 H HN 0.571 nan 8.280 nan 0.000 0.524 443 S N 2.465 117.860 115.700 -0.508 0.000 2.647 443 S HA 0.461 4.931 4.470 0.001 0.000 0.284 443 S C -1.138 173.115 174.600 -0.577 0.000 1.134 443 S CA -0.108 57.846 58.200 -0.410 0.000 1.027 443 S CB 0.527 63.630 63.200 -0.161 0.000 1.180 443 S HN 0.856 nan 8.310 nan 0.000 0.521 444 D N -1.041 119.183 120.400 -0.294 0.000 2.362 444 D HA 0.213 4.854 4.640 0.001 0.000 0.228 444 D C 0.618 176.855 176.300 -0.105 0.000 1.326 444 D CA 0.158 54.037 54.000 -0.201 0.000 0.927 444 D CB -0.152 40.553 40.800 -0.160 0.000 1.501 444 D HN 0.911 nan 8.370 nan 0.000 0.519 445 G N 1.345 110.098 108.800 -0.078 0.000 2.298 445 G HA2 -0.029 3.931 3.960 0.001 0.000 0.271 445 G HA3 -0.029 3.931 3.960 0.001 0.000 0.271 445 G C 1.101 175.981 174.900 -0.034 0.000 1.004 445 G CA 1.618 46.690 45.100 -0.046 0.000 0.664 445 G HN 1.884 nan 8.290 nan 0.000 0.553 446 G N -2.053 106.722 108.800 -0.043 0.000 2.587 446 G HA2 0.454 4.415 3.960 0.001 0.000 0.212 446 G HA3 0.454 4.415 3.960 0.001 0.000 0.212 446 G C 0.442 175.340 174.900 -0.003 0.000 1.327 446 G CA 0.471 45.556 45.100 -0.024 0.000 0.898 446 G HN 2.062 nan 8.290 nan 0.000 0.551 447 G N -2.361 106.456 108.800 0.027 0.000 2.511 447 G HA2 0.656 4.617 3.960 0.001 0.000 0.318 447 G HA3 0.656 4.617 3.960 0.001 0.000 0.318 447 G C 0.413 175.415 174.900 0.170 0.000 1.210 447 G CA 0.610 45.759 45.100 0.082 0.000 0.969 447 G HN 1.108 nan 8.290 nan 0.000 0.484 448 Y N 0.194 120.541 120.300 0.080 0.000 2.009 448 Y HA -0.025 4.526 4.550 0.001 0.000 0.260 448 Y C 1.497 177.539 175.900 0.237 0.000 1.118 448 Y CA 0.642 58.822 58.100 0.134 0.000 1.087 448 Y CB -0.461 38.078 38.460 0.133 0.000 0.970 448 Y HN 0.507 nan 8.280 nan 0.000 0.481 453 P HA 0.102 nan 4.420 nan 0.000 0.278 453 P C -0.693 176.688 177.300 0.135 0.000 1.366 453 P CA 0.446 63.586 63.100 0.066 0.000 0.750 453 P CB -0.196 31.513 31.700 0.015 0.000 1.271 454 D N 0.364 120.896 120.400 0.219 0.000 2.313 454 D HA 0.141 4.781 4.640 0.001 0.000 0.239 454 D C -0.680 176.010 176.300 0.650 0.000 1.142 454 D CA -0.121 54.106 54.000 0.378 0.000 0.847 454 D CB 0.324 41.278 40.800 0.257 0.000 1.082 454 D HN 0.078 nan 8.370 nan 0.000 0.480 455 W N 5.000 126.473 121.300 0.289 0.000 2.349 455 W HA 0.369 5.030 4.660 0.001 0.000 0.309 455 W C -1.333 175.187 176.519 0.001 0.000 1.083 455 W CA -1.563 55.861 57.345 0.133 0.000 1.224 455 W CB 0.362 29.793 29.460 -0.048 0.000 1.256 455 W HN 0.206 nan 8.180 nan 0.000 0.461 456 F N 7.728 127.470 119.950 -0.346 0.000 2.384 456 F HA 0.368 4.896 4.527 0.001 0.000 0.359 456 F C -0.217 175.124 175.800 -0.765 0.000 1.143 456 F CA -0.649 56.820 58.000 -0.885 0.000 1.216 456 F CB 0.133 38.289 39.000 -1.407 0.000 1.512 456 F HN -0.042 nan 8.300 nan 0.000 0.573 457 V N 6.544 125.708 119.914 -1.250 0.000 2.479 457 V HA -0.045 4.076 4.120 0.001 0.000 0.281 457 V C 1.078 176.552 176.094 -1.033 0.000 1.031 457 V CA 0.424 62.020 62.300 -1.172 0.000 1.038 457 V CB 0.678 31.739 31.823 -1.271 0.000 0.981 457 V HN 0.784 nan 8.190 nan 0.000 0.478 458 N N 3.351 121.582 118.700 -0.781 0.000 2.220 458 N HA 0.125 4.866 4.740 0.001 0.000 0.182 458 N C 0.864 175.740 175.510 -1.056 0.000 1.023 458 N CA 0.365 52.781 53.050 -1.056 0.000 0.856 458 N CB 0.353 38.482 38.487 -0.596 0.000 0.997 458 N HN 0.603 nan 8.380 nan 0.000 0.429 459 R N -0.184 119.985 120.500 -0.551 0.000 2.690 459 R HA 0.436 4.776 4.340 0.001 0.000 0.269 459 R C -2.210 174.002 176.300 -0.147 0.000 1.037 459 R CA -0.477 55.439 56.100 -0.306 0.000 0.877 459 R CB 1.664 31.854 30.300 -0.184 0.000 1.255 459 R HN -0.210 nan 8.270 nan 0.000 0.467 460 V N 3.880 123.785 119.914 -0.015 0.000 2.686 460 V HA 0.532 4.652 4.120 0.001 0.000 0.306 460 V C -0.742 175.494 176.094 0.237 0.000 1.065 460 V CA -0.589 61.737 62.300 0.044 0.000 0.894 460 V CB 1.997 33.765 31.823 -0.092 0.000 1.004 460 V HN 0.573 nan 8.190 nan 0.000 0.424 461 I N 6.433 127.130 120.570 0.212 0.000 2.476 461 I HA 0.526 4.696 4.170 0.001 0.000 0.281 461 I C -0.305 175.970 176.117 0.263 0.000 1.040 461 I CA -0.341 61.130 61.300 0.286 0.000 1.094 461 I CB 1.520 39.631 38.000 0.185 0.000 1.219 461 I HN 0.618 nan 8.210 nan 0.000 0.450 462 I N 4.874 125.654 120.570 0.350 0.000 2.707 462 I HA 0.674 4.844 4.170 0.001 0.000 0.309 462 I C -1.125 175.217 176.117 0.375 0.000 1.001 462 I CA -0.629 60.825 61.300 0.257 0.000 1.129 462 I CB 2.235 40.277 38.000 0.070 0.000 1.308 462 I HN 0.415 nan 8.210 nan 0.000 0.466 463 I N 3.882 124.644 120.570 0.320 0.000 2.499 463 I HA 0.218 4.389 4.170 0.001 0.000 0.288 463 I C -0.257 176.063 176.117 0.339 0.000 1.048 463 I CA -0.505 61.005 61.300 0.352 0.000 1.062 463 I CB 2.093 40.228 38.000 0.225 0.000 1.238 463 I HN 0.640 nan 8.210 nan 0.000 0.426 464 S N 2.802 118.729 115.700 0.378 0.000 2.489 464 S HA 0.134 4.605 4.470 0.001 0.000 0.277 464 S C 1.057 175.712 174.600 0.092 0.000 1.230 464 S CA -0.588 57.764 58.200 0.253 0.000 1.053 464 S CB 0.744 64.118 63.200 0.289 0.000 0.955 464 S HN 0.720 nan 8.310 nan 0.000 0.488 465 S N 2.780 118.441 115.700 -0.066 0.000 2.881 465 S HA 0.027 4.497 4.470 0.001 0.000 0.228 465 S C 1.031 175.608 174.600 -0.039 0.000 0.965 465 S CA 0.462 58.630 58.200 -0.053 0.000 0.998 465 S CB -0.640 62.496 63.200 -0.108 0.000 0.795 465 S HN 0.876 nan 8.310 nan 0.000 0.518 466 T N -3.511 111.041 114.554 -0.003 0.000 3.186 466 T HA 0.256 4.606 4.350 0.001 0.000 0.292 466 T C -0.274 174.465 174.700 0.065 0.000 0.915 466 T CA -0.447 61.662 62.100 0.015 0.000 0.902 466 T CB 0.228 69.092 68.868 -0.007 0.000 1.192 466 T HN 0.205 nan 8.240 nan 0.000 0.563 467 Q N 1.036 120.905 119.800 0.116 0.000 2.321 467 Q HA 0.441 4.782 4.340 0.001 0.000 0.270 467 Q C -0.380 175.696 176.000 0.127 0.000 1.032 467 Q CA 0.176 56.075 55.803 0.159 0.000 0.784 467 Q CB 1.437 30.364 28.738 0.315 0.000 1.264 467 Q HN 0.507 nan 8.270 nan 0.000 0.448 468 D N 0.464 120.904 120.400 0.066 0.000 2.494 468 D HA 0.329 4.970 4.640 0.001 0.000 0.249 468 D C 0.690 176.978 176.300 -0.020 0.000 1.223 468 D CA 0.767 54.782 54.000 0.026 0.000 0.865 468 D CB -0.209 40.599 40.800 0.012 0.000 0.974 468 D HN 0.526 nan 8.370 nan 0.000 0.491 469 R N -0.870 119.597 120.500 -0.055 0.000 2.919 469 R HA 0.877 5.218 4.340 0.001 0.000 0.260 469 R C -0.337 175.816 176.300 -0.245 0.000 1.067 469 R CA -0.075 55.881 56.100 -0.240 0.000 1.003 469 R CB 1.357 31.353 30.300 -0.506 0.000 1.192 469 R HN 0.762 nan 8.270 nan 0.000 0.488 470 V N 2.377 122.123 119.914 -0.281 0.000 2.289 470 V HA 0.522 4.642 4.120 0.001 0.000 0.272 470 V C -1.311 174.687 176.094 -0.160 0.000 1.026 470 V CA -0.884 61.355 62.300 -0.103 0.000 0.807 470 V CB 0.135 31.946 31.823 -0.021 0.000 1.044 470 V HN 0.716 nan 8.190 nan 0.000 0.443 471 Y N 3.908 124.249 120.300 0.068 0.000 2.605 471 Y HA 0.383 4.934 4.550 0.001 0.000 0.336 471 Y C 1.258 177.125 175.900 -0.055 0.000 1.111 471 Y CA 0.322 58.413 58.100 -0.015 0.000 1.422 471 Y CB 0.412 38.985 38.460 0.188 0.000 1.193 471 Y HN 0.624 nan 8.280 nan 0.000 0.526 472 S N 3.853 119.458 115.700 -0.158 0.000 2.541 472 S HA 0.541 5.012 4.470 0.001 0.000 0.283 472 S C -0.713 173.647 174.600 -0.400 0.000 1.196 472 S CA -0.660 57.484 58.200 -0.093 0.000 1.062 472 S CB 0.469 63.641 63.200 -0.046 0.000 1.009 472 S HN 0.476 nan 8.310 nan 0.000 0.502 473 F N 2.542 122.511 119.950 0.033 0.000 2.593 473 F HA 0.297 4.824 4.527 0.001 0.000 0.336 473 F C -2.326 173.436 175.800 -0.064 0.000 1.491 473 F CA -1.950 56.043 58.000 -0.011 0.000 1.114 473 F CB 0.763 39.733 39.000 -0.051 0.000 1.468 473 F HN 0.288 nan 8.300 nan 0.000 0.579 474 P HA -0.068 nan 4.420 nan 0.000 0.263 474 P C 0.200 177.502 177.300 0.003 0.000 1.175 474 P CA 0.470 63.605 63.100 0.060 0.000 0.761 474 P CB 2.183 33.985 31.700 0.170 0.000 0.794 475 C N 3.328 122.538 119.300 -0.151 0.000 3.226 475 C HA 0.354 4.814 4.460 0.001 0.000 0.173 475 C C 0.193 175.126 174.990 -0.096 0.000 2.588 475 C CA 0.109 59.004 59.018 -0.204 0.000 1.088 475 C CB -1.148 26.343 27.740 -0.415 0.000 1.236 475 C HN 0.531 nan 8.230 nan 0.000 0.720 476 F N 1.682 121.361 119.950 -0.451 0.000 2.985 476 F HA -0.068 4.460 4.527 0.001 0.000 0.303 476 F C 0.056 175.472 175.800 -0.641 0.000 0.976 476 F CA 0.809 58.473 58.000 -0.561 0.000 1.013 476 F CB -1.392 37.533 39.000 -0.125 0.000 1.060 476 F HN 0.475 nan 8.300 nan 0.000 0.780 477 R N -1.754 118.186 120.500 -0.933 0.000 2.734 477 R HA 0.581 4.921 4.340 0.001 0.000 0.271 477 R C -1.306 174.590 176.300 -0.674 0.000 1.021 477 R CA -0.931 54.915 56.100 -0.423 0.000 0.893 477 R CB 0.880 31.167 30.300 -0.022 0.000 1.244 477 R HN 0.135 nan 8.270 nan 0.000 0.464 478 W N 0.692 121.979 121.300 -0.022 0.000 2.202 478 W HA 0.401 5.062 4.660 0.001 0.000 0.332 478 W C -0.198 176.283 176.519 -0.064 0.000 1.263 478 W CA -0.250 57.119 57.345 0.040 0.000 1.223 478 W CB 0.760 30.323 29.460 0.172 0.000 1.128 478 W HN 0.047 nan 8.180 nan 0.000 0.573 479 V N 6.179 126.177 119.914 0.140 0.000 2.275 479 V HA 0.063 4.183 4.120 0.001 0.000 0.272 479 V C 0.631 176.832 176.094 0.179 0.000 1.028 479 V CA -0.680 61.666 62.300 0.078 0.000 0.810 479 V CB -0.626 31.180 31.823 -0.027 0.000 1.043 479 V HN 0.469 nan 8.190 nan 0.000 0.453 480 I N 4.440 125.091 120.570 0.135 0.000 2.402 480 I HA 0.125 4.296 4.170 0.001 0.000 0.221 480 I C 2.374 178.520 176.117 0.048 0.000 1.059 480 I CA 1.800 63.157 61.300 0.095 0.000 1.371 480 I CB -1.169 36.867 38.000 0.059 0.000 1.182 480 I HN 0.456 nan 8.210 nan 0.000 0.403 481 K N -0.321 120.100 120.400 0.034 0.000 2.121 481 K HA 0.223 4.544 4.320 0.001 0.000 0.203 481 K C 0.577 177.222 176.600 0.075 0.000 1.041 481 K CA 1.393 57.689 56.287 0.015 0.000 0.969 481 K CB -1.139 31.395 32.500 0.057 0.000 0.799 481 K HN 0.623 nan 8.250 nan 0.000 0.456 482 D N -2.128 118.340 120.400 0.114 0.000 2.531 482 D HA 0.637 5.278 4.640 0.001 0.000 0.244 482 D C -0.997 175.333 176.300 0.051 0.000 1.090 482 D CA -0.475 53.610 54.000 0.143 0.000 0.989 482 D CB 1.970 42.863 40.800 0.154 0.000 1.433 482 D HN 0.070 nan 8.370 nan 0.000 0.492 483 M N 2.056 121.666 119.600 0.017 0.000 2.457 483 M HA 0.167 4.647 4.480 0.001 0.000 0.186 483 M C -1.977 174.249 176.300 -0.123 0.000 0.962 483 M CA -0.382 54.876 55.300 -0.070 0.000 0.909 483 M CB 1.301 33.829 32.600 -0.120 0.000 2.798 483 M HN 0.190 nan 8.290 nan 0.000 0.412 484 V N 5.159 124.982 119.914 -0.153 0.000 2.555 484 V HA 0.388 4.508 4.120 0.001 0.000 0.286 484 V C 0.112 175.994 176.094 -0.353 0.000 1.044 484 V CA -0.023 62.142 62.300 -0.226 0.000 1.026 484 V CB 1.147 32.831 31.823 -0.233 0.000 0.981 484 V HN 0.643 nan 8.190 nan 0.000 0.480 485 L N 5.824 126.875 121.223 -0.287 0.000 2.376 485 L HA 0.554 4.895 4.340 0.001 0.000 0.275 485 L C -0.530 176.390 176.870 0.083 0.000 0.987 485 L CA -0.255 54.474 54.840 -0.185 0.000 0.828 485 L CB 1.530 43.579 42.059 -0.016 0.000 1.249 485 L HN 0.459 nan 8.230 nan 0.000 0.409 486 F N 3.516 123.558 119.950 0.153 0.000 2.382 486 F HA 0.336 4.863 4.527 0.001 0.000 0.331 486 F C -1.245 174.551 175.800 -0.007 0.000 1.121 486 F CA -1.816 56.251 58.000 0.111 0.000 1.183 486 F CB 0.478 39.482 39.000 0.007 0.000 1.207 486 F HN 0.333 nan 8.300 nan 0.000 0.555 487 P HA -0.044 nan 4.420 nan 0.000 0.293 487 P C 0.697 177.845 177.300 -0.253 0.000 1.285 487 P CA 0.168 62.969 63.100 -0.499 0.000 0.775 487 P CB 0.011 31.559 31.700 -0.252 0.000 1.351 488 G N -0.100 108.557 108.800 -0.240 0.000 2.981 488 G HA2 -0.169 3.792 3.960 0.001 0.000 0.199 488 G HA3 -0.169 3.792 3.960 0.001 0.000 0.199 488 G C 0.048 174.954 174.900 0.010 0.000 1.434 488 G CA 0.379 45.424 45.100 -0.093 0.000 0.800 488 G HN 0.567 nan 8.290 nan 0.000 0.702 489 E N 1.333 121.553 120.200 0.033 0.000 3.056 489 E HA 0.162 4.513 4.350 0.001 0.000 0.264 489 E C 0.637 177.316 176.600 0.131 0.000 0.899 489 E CA 0.503 56.968 56.400 0.109 0.000 0.966 489 E CB -0.154 29.584 29.700 0.064 0.000 0.913 489 E HN 0.501 nan 8.360 nan 0.000 0.522 490 A N 3.697 126.665 122.820 0.247 0.000 2.371 490 A HA 0.453 4.773 4.320 0.001 0.000 0.257 490 A C 0.569 178.222 177.584 0.116 0.000 1.089 490 A CA 0.047 52.147 52.037 0.106 0.000 0.794 490 A CB 0.369 19.341 19.000 -0.048 0.000 1.029 490 A HN 0.657 nan 8.150 nan 0.000 0.488 491 T N -0.138 114.375 114.554 -0.067 0.000 2.896 491 T HA 0.663 5.014 4.350 0.001 0.000 0.297 491 T C -0.414 174.060 174.700 -0.377 0.000 1.108 491 T CA -0.775 61.234 62.100 -0.152 0.000 1.004 491 T CB 0.718 69.478 68.868 -0.180 0.000 1.159 491 T HN 0.463 nan 8.240 nan 0.000 0.499 492 L N 2.513 123.399 121.223 -0.562 0.000 2.399 492 L HA 0.388 4.729 4.340 0.001 0.000 0.266 492 L C -0.943 175.472 176.870 -0.758 0.000 1.114 492 L CA -2.605 51.684 54.840 -0.919 0.000 0.804 492 L CB 1.285 42.474 42.059 -1.450 0.000 1.146 492 L HN 0.546 nan 8.230 nan 0.000 0.451 493 P HA -0.222 nan 4.420 nan 0.000 0.218 493 P C 1.129 178.309 177.300 -0.200 0.000 1.146 493 P CA 1.637 64.559 63.100 -0.297 0.000 0.813 493 P CB 0.002 31.618 31.700 -0.139 0.000 0.778 494 F N -0.918 118.958 119.950 -0.123 0.000 2.698 494 F HA 0.250 4.778 4.527 0.001 0.000 0.295 494 F C 1.206 176.947 175.800 -0.098 0.000 1.124 494 F CA -0.856 57.086 58.000 -0.096 0.000 1.426 494 F CB -2.205 36.745 39.000 -0.082 0.000 1.120 494 F HN -0.165 nan 8.300 nan 0.000 0.583 495 N N 1.637 120.237 118.700 -0.166 0.000 2.237 495 N HA 0.307 5.048 4.740 0.001 0.000 0.222 495 N C 0.471 175.968 175.510 -0.021 0.000 1.311 495 N CA 0.343 53.371 53.050 -0.037 0.000 0.880 495 N CB -0.483 37.888 38.487 -0.193 0.000 1.106 495 N HN 0.783 nan 8.380 nan 0.000 0.435 496 E N -0.255 119.939 120.200 -0.011 0.000 2.341 496 E HA 0.457 4.808 4.350 0.001 0.000 0.256 496 E C -0.471 176.092 176.600 -0.062 0.000 1.125 496 E CA -0.199 56.186 56.400 -0.024 0.000 0.939 496 E CB -0.521 29.169 29.700 -0.017 0.000 0.991 496 E HN 0.769 nan 8.360 nan 0.000 0.458 497 V N 5.935 125.804 119.914 -0.075 0.000 2.531 497 V HA 0.474 4.594 4.120 0.001 0.000 0.301 497 V C -2.055 173.985 176.094 -0.090 0.000 1.034 497 V CA -1.651 60.579 62.300 -0.116 0.000 0.865 497 V CB 1.963 33.679 31.823 -0.178 0.000 0.995 497 V HN 0.840 nan 8.190 nan 0.000 0.424 498 P HA 0.066 nan 4.420 nan 0.000 0.265 498 P C 0.884 178.151 177.300 -0.055 0.000 1.187 498 P CA 0.342 63.411 63.100 -0.052 0.000 0.766 498 P CB 0.900 32.578 31.700 -0.037 0.000 0.820 499 A N 3.744 126.544 122.820 -0.033 0.000 1.893 499 A HA -0.295 4.026 4.320 0.001 0.000 0.222 499 A C 2.056 179.625 177.584 -0.026 0.000 1.309 499 A CA 2.445 54.467 52.037 -0.025 0.000 0.681 499 A CB -1.620 17.373 19.000 -0.011 0.000 0.842 499 A HN 0.567 nan 8.150 nan 0.000 0.468 500 I N -0.433 120.128 120.570 -0.014 0.000 2.264 500 I HA -0.166 4.005 4.170 0.001 0.000 0.248 500 I C 2.227 178.345 176.117 0.002 0.000 1.111 500 I CA 1.365 62.667 61.300 0.004 0.000 1.382 500 I CB -0.226 37.783 38.000 0.016 0.000 1.060 500 I HN 0.123 nan 8.210 nan 0.000 0.418 501 V N -0.022 119.855 119.914 -0.061 0.000 2.759 501 V HA -0.134 3.987 4.120 0.001 0.000 0.256 501 V C 1.343 177.269 176.094 -0.281 0.000 1.080 501 V CA 1.055 63.235 62.300 -0.201 0.000 1.101 501 V CB -0.934 30.685 31.823 -0.340 0.000 0.698 501 V HN 0.362 nan 8.190 nan 0.000 0.477 502 S N -1.207 114.405 115.700 -0.147 0.000 2.738 502 S HA 0.441 4.912 4.470 0.001 0.000 0.284 502 S C 0.959 175.550 174.600 -0.015 0.000 1.146 502 S CA 0.084 58.225 58.200 -0.099 0.000 0.997 502 S CB 1.756 64.909 63.200 -0.079 0.000 1.081 502 S HN 0.393 nan 8.310 nan 0.000 0.553 503 E N -0.293 119.912 120.200 0.010 0.000 4.586 503 E HA -0.292 4.058 4.350 0.001 0.000 0.271 503 E C 0.999 177.636 176.600 0.062 0.000 0.767 503 E CA 2.004 58.423 56.400 0.030 0.000 1.491 503 E CB -1.093 28.619 29.700 0.021 0.000 1.758 503 E HN 0.550 nan 8.360 nan 0.000 0.398 504 Q N -0.284 119.576 119.800 0.100 0.000 2.373 504 Q HA 0.295 4.635 4.340 0.001 0.000 0.210 504 Q C 1.973 178.144 176.000 0.286 0.000 0.913 504 Q CA 1.425 57.340 55.803 0.187 0.000 0.911 504 Q CB 0.063 28.968 28.738 0.279 0.000 1.040 504 Q HN 0.389 nan 8.270 nan 0.000 0.521 505 R N -0.151 120.506 120.500 0.263 0.000 2.055 505 R HA -0.098 4.242 4.340 0.001 0.000 0.221 505 R C 2.205 178.573 176.300 0.113 0.000 1.154 505 R CA 1.333 57.592 56.100 0.264 0.000 0.975 505 R CB -0.133 30.217 30.300 0.083 0.000 0.869 505 R HN 0.348 nan 8.270 nan 0.000 0.437 506 Q N 0.756 120.593 119.800 0.063 0.000 2.248 506 Q HA -0.228 4.113 4.340 0.001 0.000 0.208 506 Q C 1.741 177.772 176.000 0.053 0.000 0.984 506 Q CA 1.901 57.732 55.803 0.046 0.000 0.875 506 Q CB -0.092 28.666 28.738 0.034 0.000 0.910 506 Q HN 0.094 nan 8.270 nan 0.000 0.433 507 K N 1.527 121.967 120.400 0.066 0.000 1.977 507 K HA -0.274 4.047 4.320 0.001 0.000 0.218 507 K C 1.951 178.579 176.600 0.047 0.000 1.051 507 K CA 2.356 58.678 56.287 0.057 0.000 0.953 507 K CB -0.411 32.129 32.500 0.068 0.000 0.727 507 K HN 0.648 nan 8.250 nan 0.000 0.445 508 E N 0.482 120.708 120.200 0.043 0.000 2.130 508 E HA -0.240 4.110 4.350 0.001 0.000 0.196 508 E C 2.106 178.718 176.600 0.021 0.000 0.998 508 E CA 1.670 58.080 56.400 0.017 0.000 0.806 508 E CB -0.637 29.049 29.700 -0.023 0.000 0.738 508 E HN 0.345 nan 8.360 nan 0.000 0.459 509 L N 0.812 122.050 121.223 0.024 0.000 2.079 509 L HA -0.205 4.136 4.340 0.001 0.000 0.210 509 L C 3.106 180.004 176.870 0.048 0.000 1.081 509 L CA 1.900 56.758 54.840 0.028 0.000 0.752 509 L CB -0.976 41.105 42.059 0.036 0.000 0.896 509 L HN 0.478 nan 8.230 nan 0.000 0.433 510 E N -0.047 120.183 120.200 0.049 0.000 2.150 510 E HA -0.234 4.116 4.350 0.001 0.000 0.193 510 E C 2.190 178.824 176.600 0.057 0.000 0.985 510 E CA 1.608 58.040 56.400 0.054 0.000 0.814 510 E CB -0.956 28.772 29.700 0.047 0.000 0.752 510 E HN 0.653 nan 8.360 nan 0.000 0.466 511 Q N 0.642 120.474 119.800 0.054 0.000 2.083 511 Q HA -0.081 4.260 4.340 0.001 0.000 0.198 511 Q C 2.383 178.441 176.000 0.097 0.000 0.969 511 Q CA 1.410 57.251 55.803 0.063 0.000 0.838 511 Q CB -0.379 28.391 28.738 0.052 0.000 0.900 511 Q HN 0.519 nan 8.270 nan 0.000 0.436 512 R N 0.709 121.266 120.500 0.095 0.000 2.073 512 R HA -0.049 4.291 4.340 0.001 0.000 0.234 512 R C 1.956 178.347 176.300 0.152 0.000 1.134 512 R CA 1.493 57.667 56.100 0.123 0.000 0.952 512 R CB -0.318 29.996 30.300 0.022 0.000 0.850 512 R HN 0.533 nan 8.270 nan 0.000 0.433 513 K N 0.713 121.174 120.400 0.101 0.000 2.611 513 K HA -0.032 4.289 4.320 0.001 0.000 0.193 513 K C 1.153 177.812 176.600 0.097 0.000 1.026 513 K CA 0.222 56.568 56.287 0.099 0.000 1.063 513 K CB 0.109 32.665 32.500 0.094 0.000 0.839 513 K HN -0.027 nan 8.250 nan 0.000 0.505 514 L N -0.601 120.685 121.223 0.105 0.000 2.653 514 L HA 0.018 4.359 4.340 0.001 0.000 0.230 514 L C 1.623 178.523 176.870 0.050 0.000 1.055 514 L CA 1.195 56.077 54.840 0.070 0.000 0.880 514 L CB 0.473 42.565 42.059 0.056 0.000 1.195 514 L HN 0.066 nan 8.230 nan 0.000 0.492 515 T N -3.407 111.204 114.554 0.096 0.000 3.145 515 T HA 0.224 4.574 4.350 0.001 0.000 0.255 515 T C -0.434 174.156 174.700 -0.184 0.000 1.039 515 T CA 0.098 62.180 62.100 -0.030 0.000 0.928 515 T CB -0.350 68.499 68.868 -0.033 0.000 1.029 515 T HN 0.058 nan 8.240 nan 0.000 0.554 516 Y N 2.442 122.679 120.300 -0.105 0.000 2.484 516 Y HA 0.352 4.903 4.550 0.001 0.000 0.348 516 Y C -0.295 175.498 175.900 -0.179 0.000 1.103 516 Y CA -1.431 56.577 58.100 -0.154 0.000 1.317 516 Y CB 0.837 39.226 38.460 -0.118 0.000 1.096 516 Y HN 0.310 nan 8.280 nan 0.000 0.568 517 Q N -0.453 119.308 119.800 -0.064 0.000 2.348 517 Q HA 0.515 4.856 4.340 0.001 0.000 0.271 517 Q C -0.953 174.983 176.000 -0.107 0.000 1.067 517 Q CA -1.164 54.596 55.803 -0.071 0.000 0.839 517 Q CB 2.101 30.855 28.738 0.026 0.000 1.354 517 Q HN 0.468 nan 8.270 nan 0.000 0.447 518 W N 1.176 122.471 121.300 -0.008 0.000 2.123 518 W HA 0.246 4.906 4.660 0.001 0.000 0.351 518 W C 0.335 176.755 176.519 -0.166 0.000 1.292 518 W CA 0.806 58.067 57.345 -0.140 0.000 1.263 518 W CB 0.531 29.921 29.460 -0.116 0.000 1.165 518 W HN 0.592 nan 8.180 nan 0.000 0.590 519 D N -0.045 120.299 120.400 -0.093 0.000 2.717 519 D HA 0.279 4.920 4.640 0.001 0.000 0.223 519 D C -1.910 174.155 176.300 -0.393 0.000 1.240 519 D CA -0.848 53.106 54.000 -0.077 0.000 0.801 519 D CB 1.215 42.003 40.800 -0.020 0.000 1.556 519 D HN 0.184 nan 8.370 nan 0.000 0.462 520 Y N 0.671 121.011 120.300 0.066 0.000 2.499 520 Y HA 0.349 4.900 4.550 0.001 0.000 0.347 520 Y C 1.171 177.072 175.900 0.001 0.000 0.987 520 Y CA -0.899 57.216 58.100 0.025 0.000 1.044 520 Y CB 2.050 40.508 38.460 -0.004 0.000 1.245 520 Y HN 0.106 nan 8.280 nan 0.000 0.461 521 V N 0.356 120.330 119.914 0.100 0.000 2.725 521 V HA 0.042 4.163 4.120 0.001 0.000 0.247 521 V C 0.436 176.561 176.094 0.051 0.000 1.058 521 V CA 1.319 63.645 62.300 0.043 0.000 1.080 521 V CB 0.034 31.852 31.823 -0.009 0.000 0.713 521 V HN 0.805 nan 8.190 nan 0.000 0.465 522 S N -2.266 113.477 115.700 0.072 0.000 2.615 522 S HA 0.290 4.760 4.470 0.001 0.000 0.269 522 S C -0.191 174.455 174.600 0.076 0.000 1.161 522 S CA -0.519 57.714 58.200 0.055 0.000 0.817 522 S CB 1.430 64.646 63.200 0.027 0.000 1.131 522 S HN 0.085 nan 8.310 nan 0.000 0.467 523 D N 0.476 120.911 120.400 0.058 0.000 2.312 523 D HA 0.023 4.664 4.640 0.001 0.000 0.211 523 D C -0.259 176.175 176.300 0.224 0.000 0.964 523 D CA 1.020 55.053 54.000 0.056 0.000 0.877 523 D CB -0.100 40.703 40.800 0.005 0.000 0.924 523 D HN 0.552 nan 8.370 nan 0.000 0.515 524 D N -0.025 120.525 120.400 0.250 0.000 2.615 524 D HA 0.142 4.783 4.640 0.001 0.000 0.236 524 D C 0.311 176.719 176.300 0.180 0.000 1.233 524 D CA 0.004 54.245 54.000 0.401 0.000 0.829 524 D CB 0.523 41.486 40.800 0.272 0.000 1.024 524 D HN 0.036 nan 8.370 nan 0.000 0.490 525 M N 1.255 120.808 119.600 -0.079 0.000 2.446 525 M HA 0.316 4.796 4.480 0.001 0.000 0.294 525 M C -2.664 173.215 176.300 -0.701 0.000 1.158 525 M CA -2.156 52.776 55.300 -0.614 0.000 0.899 525 M CB 2.730 35.152 32.600 -0.296 0.000 1.687 525 M HN -0.311 nan 8.290 nan 0.000 0.455 526 P HA 0.074 nan 4.420 nan 0.000 0.267 526 P C 0.216 177.445 177.300 -0.119 0.000 1.200 526 P CA 0.085 62.869 63.100 -0.526 0.000 0.772 526 P CB 0.322 31.695 31.700 -0.546 0.000 0.855 527 G N 2.843 111.658 108.800 0.026 0.000 2.554 527 G HA2 0.193 4.154 3.960 0.001 0.000 0.238 527 G HA3 0.193 4.154 3.960 0.001 0.000 0.238 527 G C 0.115 175.127 174.900 0.188 0.000 1.259 527 G CA -0.425 44.569 45.100 -0.177 0.000 0.843 527 G HN 0.792 nan 8.290 nan 0.000 0.582 528 N N 0.344 119.073 118.700 0.048 0.000 2.761 528 N HA 0.314 5.055 4.740 0.001 0.000 0.283 528 N C -0.683 174.806 175.510 -0.034 0.000 1.377 528 N CA -1.086 52.001 53.050 0.060 0.000 0.791 528 N CB 1.756 40.233 38.487 -0.017 0.000 1.540 528 N HN 0.475 nan 8.380 nan 0.000 0.539 529 I N 0.108 120.623 120.570 -0.092 0.000 2.556 529 I HA 0.064 4.234 4.170 0.001 0.000 0.284 529 I C 0.624 176.662 176.117 -0.131 0.000 1.114 529 I CA -0.427 60.782 61.300 -0.151 0.000 1.418 529 I CB 0.433 38.346 38.000 -0.144 0.000 1.394 529 I HN 0.552 nan 8.210 nan 0.000 0.552 530 K N 6.940 127.262 120.400 -0.129 0.000 2.368 530 K HA 0.553 4.874 4.320 0.001 0.000 0.282 530 K C -1.024 175.494 176.600 -0.137 0.000 1.035 530 K CA -0.036 56.190 56.287 -0.101 0.000 0.973 530 K CB 0.576 33.035 32.500 -0.067 0.000 0.957 530 K HN 0.794 nan 8.250 nan 0.000 0.474 531 A N 4.068 126.817 122.820 -0.118 0.000 2.319 531 A HA 0.107 4.428 4.320 0.001 0.000 0.298 531 A C -0.204 177.316 177.584 -0.106 0.000 1.003 531 A CA -0.914 51.041 52.037 -0.137 0.000 0.901 531 A CB 0.411 19.298 19.000 -0.189 0.000 1.042 531 A HN 0.726 nan 8.150 nan 0.000 0.352 532 K N 0.754 121.100 120.400 -0.090 0.000 1.984 532 K HA 0.059 4.380 4.320 0.001 0.000 0.209 532 K C 0.737 177.295 176.600 -0.070 0.000 1.046 532 K CA 2.147 58.394 56.287 -0.068 0.000 0.934 532 K CB -0.628 31.838 32.500 -0.056 0.000 0.717 532 K HN 0.752 nan 8.250 nan 0.000 0.438 533 T N 0.070 114.577 114.554 -0.078 0.000 2.926 533 T HA 0.142 4.493 4.350 0.001 0.000 0.289 533 T C 0.928 175.578 174.700 -0.083 0.000 1.054 533 T CA -0.697 61.367 62.100 -0.061 0.000 1.015 533 T CB 1.967 70.814 68.868 -0.035 0.000 1.167 533 T HN 0.271 nan 8.240 nan 0.000 0.526 534 H N 1.383 120.361 119.070 -0.154 0.000 2.265 534 H HA -0.144 4.413 4.556 0.001 0.000 0.295 534 H C 0.731 175.960 175.328 -0.166 0.000 1.084 534 H CA 2.522 58.457 56.048 -0.189 0.000 1.261 534 H CB -0.303 29.333 29.762 -0.209 0.000 1.360 534 H HN 0.607 nan 8.280 nan 0.000 0.487 535 D N 0.174 120.565 120.400 -0.015 0.000 2.403 535 D HA -0.094 4.547 4.640 0.001 0.000 0.227 535 D C 1.658 177.848 176.300 -0.183 0.000 0.995 535 D CA 0.773 54.717 54.000 -0.094 0.000 0.928 535 D CB -0.165 40.647 40.800 0.019 0.000 0.887 535 D HN 0.454 nan 8.370 nan 0.000 0.529 536 D N -0.071 120.212 120.400 -0.195 0.000 2.301 536 D HA -0.025 4.616 4.640 0.001 0.000 0.206 536 D C 0.388 176.539 176.300 -0.248 0.000 0.979 536 D CA 0.081 53.970 54.000 -0.185 0.000 0.874 536 D CB 0.428 41.142 40.800 -0.143 0.000 0.968 536 D HN 0.141 nan 8.370 nan 0.000 0.510 537 L N 0.244 121.273 121.223 -0.324 0.000 2.439 537 L HA 0.482 4.822 4.340 0.001 0.000 0.261 537 L C -2.327 174.295 176.870 -0.413 0.000 1.153 537 L CA -2.131 52.481 54.840 -0.381 0.000 0.808 537 L CB -1.132 40.691 42.059 -0.393 0.000 1.126 537 L HN -0.250 nan 8.230 nan 0.000 0.460 538 P HA -0.072 nan 4.420 nan 0.000 0.261 538 P C 0.295 177.396 177.300 -0.332 0.000 1.165 538 P CA 0.206 63.032 63.100 -0.457 0.000 0.759 538 P CB 0.480 31.731 31.700 -0.748 0.000 0.772 539 R N 3.099 123.441 120.500 -0.264 0.000 2.139 539 R HA -0.181 4.159 4.340 0.001 0.000 0.243 539 R C 1.429 177.713 176.300 -0.027 0.000 1.145 539 R CA 1.716 57.649 56.100 -0.278 0.000 0.976 539 R CB -0.325 29.686 30.300 -0.480 0.000 0.866 539 R HN 0.437 nan 8.270 nan 0.000 0.449 540 D N -0.353 120.107 120.400 0.101 0.000 2.221 540 D HA -0.140 4.500 4.640 0.001 0.000 0.204 540 D C 1.639 178.108 176.300 0.281 0.000 0.982 540 D CA 1.729 55.910 54.000 0.301 0.000 0.857 540 D CB 0.180 41.021 40.800 0.067 0.000 0.934 540 D HN 0.352 nan 8.370 nan 0.000 0.475 541 V N -2.123 117.827 119.914 0.060 0.000 3.660 541 V HA 0.150 4.270 4.120 0.001 0.000 0.276 541 V C 0.896 177.057 176.094 0.112 0.000 1.317 541 V CA -0.197 62.184 62.300 0.134 0.000 1.097 541 V CB -0.140 31.633 31.823 -0.085 0.000 0.863 541 V HN -0.094 nan 8.190 nan 0.000 0.438 542 Q N 0.312 120.137 119.800 0.042 0.000 2.492 542 Q HA 0.252 4.593 4.340 0.001 0.000 0.238 542 Q C -0.591 175.677 176.000 0.447 0.000 1.045 542 Q CA -0.474 55.334 55.803 0.008 0.000 0.934 542 Q CB 0.547 29.189 28.738 -0.159 0.000 1.276 542 Q HN 0.469 nan 8.270 nan 0.000 0.521 543 F N 1.024 121.262 119.950 0.480 0.000 2.484 543 F HA 0.036 4.564 4.527 0.001 0.000 0.360 543 F C 0.711 176.673 175.800 0.271 0.000 1.101 543 F CA -0.266 57.916 58.000 0.303 0.000 1.251 543 F CB 0.578 39.633 39.000 0.092 0.000 1.132 543 F HN 0.376 nan 8.300 nan 0.000 0.570 544 T N 3.950 118.741 114.554 0.396 0.000 2.903 544 T HA -0.075 4.275 4.350 0.001 0.000 0.314 544 T C 1.259 176.046 174.700 0.145 0.000 1.078 544 T CA -0.073 62.169 62.100 0.237 0.000 1.114 544 T CB 0.453 69.407 68.868 0.144 0.000 0.987 544 T HN 0.621 nan 8.240 nan 0.000 0.548 545 D N 1.017 121.517 120.400 0.167 0.000 2.149 545 D HA -0.180 4.461 4.640 0.001 0.000 0.194 545 D C 1.925 178.262 176.300 0.062 0.000 1.001 545 D CA 1.527 55.611 54.000 0.140 0.000 0.849 545 D CB 0.061 40.973 40.800 0.188 0.000 0.939 545 D HN 0.620 nan 8.370 nan 0.000 0.449 546 E N 0.349 120.571 120.200 0.036 0.000 2.051 546 E HA -0.183 4.168 4.350 0.001 0.000 0.192 546 E C 1.840 178.392 176.600 -0.081 0.000 0.991 546 E CA 1.299 57.696 56.400 -0.004 0.000 0.799 546 E CB -0.099 29.603 29.700 0.003 0.000 0.748 546 E HN 0.086 nan 8.360 nan 0.000 0.449 547 K N 0.150 120.424 120.400 -0.210 0.000 2.057 547 K HA -0.027 4.294 4.320 0.001 0.000 0.207 547 K C 2.399 178.703 176.600 -0.492 0.000 1.049 547 K CA 1.275 57.196 56.287 -0.609 0.000 0.931 547 K CB -0.547 31.132 32.500 -1.368 0.000 0.714 547 K HN 0.079 nan 8.250 nan 0.000 0.440 548 S N 0.368 115.958 115.700 -0.184 0.000 2.345 548 S HA -0.159 4.312 4.470 0.001 0.000 0.220 548 S C 2.434 177.098 174.600 0.108 0.000 1.031 548 S CA 1.804 60.056 58.200 0.086 0.000 0.996 548 S CB -0.276 62.973 63.200 0.082 0.000 0.882 548 S HN 0.504 nan 8.310 nan 0.000 0.445 549 R N 1.160 121.689 120.500 0.049 0.000 2.096 549 R HA -0.050 4.291 4.340 0.001 0.000 0.240 549 R C 2.423 178.746 176.300 0.039 0.000 1.139 549 R CA 2.210 58.338 56.100 0.046 0.000 0.952 549 R CB -1.681 28.640 30.300 0.035 0.000 0.854 549 R HN 0.422 nan 8.270 nan 0.000 0.436 550 S N -1.091 114.623 115.700 0.023 0.000 2.355 550 S HA -0.142 4.329 4.470 0.001 0.000 0.222 550 S C 1.916 176.545 174.600 0.049 0.000 1.031 550 S CA 1.425 59.644 58.200 0.031 0.000 0.993 550 S CB -0.531 62.680 63.200 0.018 0.000 0.859 550 S HN 0.709 nan 8.310 nan 0.000 0.453 551 Y N 1.962 122.251 120.300 -0.019 0.000 2.053 551 Y HA -0.236 4.314 4.550 0.001 0.000 0.277 551 Y C 2.374 178.308 175.900 0.056 0.000 1.159 551 Y CA 2.457 60.587 58.100 0.051 0.000 1.125 551 Y CB -0.873 37.669 38.460 0.137 0.000 0.969 551 Y HN 0.349 nan 8.280 nan 0.000 0.492 552 Q N -0.213 119.555 119.800 -0.053 0.000 2.020 552 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 552 Q C 2.566 178.486 176.000 -0.133 0.000 0.982 552 Q CA 2.461 58.185 55.803 -0.131 0.000 0.838 552 Q CB -0.558 28.210 28.738 0.050 0.000 0.899 552 Q HN 0.688 nan 8.270 nan 0.000 0.423 553 E N 0.647 120.816 120.200 -0.053 0.000 2.049 553 E HA -0.244 4.106 4.350 0.001 0.000 0.198 553 E C 1.987 178.562 176.600 -0.042 0.000 1.007 553 E CA 1.839 58.219 56.400 -0.033 0.000 0.809 553 E CB -1.131 28.572 29.700 0.005 0.000 0.749 553 E HN 0.377 nan 8.360 nan 0.000 0.450 554 S N -0.059 115.624 115.700 -0.029 0.000 2.419 554 S HA -0.003 4.468 4.470 0.001 0.000 0.233 554 S C 1.504 176.082 174.600 -0.037 0.000 1.016 554 S CA 0.712 58.949 58.200 0.062 0.000 0.974 554 S CB -0.236 62.981 63.200 0.028 0.000 0.786 554 S HN 0.574 nan 8.310 nan 0.000 0.492 555 R N 2.248 122.591 120.500 -0.261 0.000 3.157 555 R HA 0.099 4.439 4.340 0.001 0.000 0.290 555 R C 1.473 177.675 176.300 -0.163 0.000 1.050 555 R CA 1.402 57.306 56.100 -0.326 0.000 1.189 555 R CB -0.244 29.819 30.300 -0.395 0.000 1.179 555 R HN 0.093 nan 8.270 nan 0.000 0.536 556 K N 1.040 121.358 120.400 -0.138 0.000 2.588 556 K HA -0.112 4.209 4.320 0.001 0.000 0.196 556 K C 1.835 178.342 176.600 -0.154 0.000 1.044 556 K CA 1.986 58.198 56.287 -0.126 0.000 0.934 556 K CB -1.235 31.194 32.500 -0.118 0.000 0.773 556 K HN 0.683 nan 8.250 nan 0.000 0.489 557 A N 0.522 123.257 122.820 -0.142 0.000 1.897 557 A HA 0.347 4.668 4.320 0.001 0.000 0.215 557 A C 2.687 180.180 177.584 -0.152 0.000 1.181 557 A CA 1.428 53.389 52.037 -0.127 0.000 0.620 557 A CB -0.475 18.466 19.000 -0.098 0.000 0.821 557 A HN 0.990 nan 8.150 nan 0.000 0.443 558 A N -0.132 122.579 122.820 -0.181 0.000 2.239 558 A HA 0.226 4.546 4.320 0.001 0.000 0.209 558 A C 1.919 179.243 177.584 -0.433 0.000 1.171 558 A CA 1.110 52.959 52.037 -0.313 0.000 0.768 558 A CB -0.721 18.083 19.000 -0.326 0.000 0.790 558 A HN 0.946 nan 8.150 nan 0.000 0.478 559 L N -1.722 119.339 121.223 -0.270 0.000 2.072 559 L HA -0.032 4.309 4.340 0.001 0.000 0.205 559 L C 1.939 178.723 176.870 -0.143 0.000 1.079 559 L CA 1.924 56.654 54.840 -0.184 0.000 0.752 559 L CB -1.174 40.803 42.059 -0.136 0.000 0.906 559 L HN 0.007 nan 8.230 nan 0.000 0.436 560 V N 1.008 120.829 119.914 -0.156 0.000 2.407 560 V HA -0.207 3.914 4.120 0.001 0.000 0.248 560 V C 2.073 178.110 176.094 -0.094 0.000 1.055 560 V CA 1.975 64.209 62.300 -0.111 0.000 1.049 560 V CB -1.322 30.436 31.823 -0.109 0.000 0.662 560 V HN 0.519 nan 8.190 nan 0.000 0.455 561 N N -0.033 118.586 118.700 -0.135 0.000 2.515 561 N HA 0.051 4.791 4.740 0.001 0.000 0.185 561 N C 1.396 176.840 175.510 -0.110 0.000 1.109 561 N CA 0.649 53.632 53.050 -0.112 0.000 0.903 561 N CB -0.191 38.219 38.487 -0.129 0.000 0.969 561 N HN 0.428 nan 8.380 nan 0.000 0.450 562 L N -1.071 120.066 121.223 -0.143 0.000 2.477 562 L HA 0.225 4.566 4.340 0.001 0.000 0.220 562 L C 0.831 177.711 176.870 0.017 0.000 1.106 562 L CA 0.055 54.846 54.840 -0.082 0.000 0.851 562 L CB -0.122 41.845 42.059 -0.153 0.000 0.994 562 L HN 0.193 nan 8.230 nan 0.000 0.462 563 G N 0.913 109.718 108.800 0.009 0.000 2.256 563 G HA2 -0.264 3.697 3.960 0.001 0.000 0.272 563 G HA3 -0.264 3.697 3.960 0.001 0.000 0.272 563 G C 0.444 175.384 174.900 0.067 0.000 1.076 563 G CA 0.469 45.590 45.100 0.035 0.000 0.882 563 G HN 0.427 nan 8.290 nan 0.000 0.497 564 I N -0.803 119.835 120.570 0.113 0.000 4.312 564 I HA 0.184 4.354 4.170 0.001 0.000 0.324 564 I C 2.721 179.038 176.117 0.333 0.000 1.298 564 I CA 0.345 61.747 61.300 0.170 0.000 1.231 564 I CB -0.302 37.800 38.000 0.170 0.000 1.152 564 I HN 0.233 nan 8.210 nan 0.000 0.421 565 G N 2.373 111.346 108.800 0.288 0.000 2.728 565 G HA2 -0.450 3.511 3.960 0.001 0.000 0.224 565 G HA3 -0.450 3.511 3.960 0.001 0.000 0.224 565 G C 1.785 176.826 174.900 0.234 0.000 1.139 565 G CA 2.056 47.256 45.100 0.167 0.000 0.761 565 G HN 0.524 nan 8.290 nan 0.000 0.621 566 S N 0.615 116.385 115.700 0.118 0.000 2.368 566 S HA 0.024 4.495 4.470 0.001 0.000 0.224 566 S C 2.401 177.004 174.600 0.006 0.000 1.029 566 S CA 1.302 59.528 58.200 0.042 0.000 0.988 566 S CB -0.465 62.727 63.200 -0.013 0.000 0.838 566 S HN 0.361 nan 8.310 nan 0.000 0.462 567 L N -0.310 120.892 121.223 -0.036 0.000 2.189 567 L HA -0.113 4.227 4.340 0.001 0.000 0.214 567 L C 2.454 179.153 176.870 -0.285 0.000 1.097 567 L CA 1.441 56.152 54.840 -0.215 0.000 0.764 567 L CB -0.987 40.922 42.059 -0.249 0.000 0.900 567 L HN 0.255 nan 8.230 nan 0.000 0.436 568 F N 0.449 120.263 119.950 -0.226 0.000 2.095 568 F HA -0.193 4.334 4.527 0.001 0.000 0.298 568 F C 2.525 178.054 175.800 -0.452 0.000 1.104 568 F CA 1.660 59.500 58.000 -0.267 0.000 1.232 568 F CB -1.052 37.860 39.000 -0.147 0.000 0.987 568 F HN -0.037 nan 8.300 nan 0.000 0.475 569 T N 0.490 114.983 114.554 -0.101 0.000 3.194 569 T HA 0.090 4.440 4.350 0.001 0.000 0.251 569 T C 0.598 175.129 174.700 -0.283 0.000 1.132 569 T CA 0.404 62.448 62.100 -0.093 0.000 1.028 569 T CB -0.504 68.413 68.868 0.083 0.000 0.976 569 T HN 0.015 nan 8.240 nan 0.000 0.535 570 M N 1.511 120.779 119.600 -0.554 0.000 2.047 570 M HA 0.370 4.851 4.480 0.001 0.000 0.342 570 M C -0.649 175.256 176.300 -0.658 0.000 1.058 570 M CA -0.421 54.622 55.300 -0.428 0.000 0.991 570 M CB 0.864 33.264 32.600 -0.334 0.000 1.474 570 M HN 0.054 nan 8.290 nan 0.000 0.419 571 F N -0.040 119.840 119.950 -0.118 0.000 2.668 571 F HA 0.277 4.805 4.527 0.001 0.000 0.297 571 F C 1.523 177.245 175.800 -0.129 0.000 1.124 571 F CA -0.332 57.604 58.000 -0.108 0.000 1.353 571 F CB -0.816 38.144 39.000 -0.068 0.000 0.992 571 F HN 0.601 nan 8.300 nan 0.000 0.524 572 E N 0.457 120.607 120.200 -0.083 0.000 2.620 572 E HA 0.421 4.771 4.350 0.001 0.000 0.255 572 E C -0.109 176.370 176.600 -0.201 0.000 1.346 572 E CA -0.366 55.956 56.400 -0.129 0.000 1.013 572 E CB 0.254 29.841 29.700 -0.189 0.000 1.131 572 E HN 0.311 nan 8.360 nan 0.000 0.608 573 N N -1.876 116.715 118.700 -0.182 0.000 2.593 573 N HA 0.604 5.345 4.740 0.001 0.000 0.304 573 N C -1.043 174.293 175.510 -0.290 0.000 1.296 573 N CA -0.412 52.558 53.050 -0.133 0.000 0.950 573 N CB 0.469 38.936 38.487 -0.034 0.000 1.127 573 N HN 0.688 nan 8.380 nan 0.000 0.587 574 W N -0.398 120.757 121.300 -0.242 0.000 2.719 574 W HA 0.389 5.050 4.660 0.001 0.000 0.352 574 W C 0.500 176.896 176.519 -0.206 0.000 1.085 574 W CA -0.511 56.635 57.345 -0.331 0.000 1.187 574 W CB 0.946 29.997 29.460 -0.682 0.000 1.417 574 W HN 0.417 nan 8.180 nan 0.000 0.557 575 D N 0.380 120.819 120.400 0.065 0.000 2.289 575 D HA -0.009 4.632 4.640 0.001 0.000 0.207 575 D C 0.381 176.691 176.300 0.016 0.000 0.966 575 D CA 0.965 54.977 54.000 0.019 0.000 0.868 575 D CB 0.339 41.145 40.800 0.009 0.000 0.943 575 D HN 0.241 nan 8.370 nan 0.000 0.514 576 S N -1.812 113.923 115.700 0.058 0.000 2.587 576 S HA 0.246 4.717 4.470 0.001 0.000 0.269 576 S C 0.361 175.046 174.600 0.141 0.000 1.154 576 S CA -0.873 57.336 58.200 0.015 0.000 0.824 576 S CB 0.453 63.696 63.200 0.071 0.000 1.118 576 S HN -0.003 nan 8.310 nan 0.000 0.462 577 Y N 0.785 121.232 120.300 0.245 0.000 2.070 577 Y HA -0.181 4.369 4.550 0.001 0.000 0.280 577 Y C 2.185 178.280 175.900 0.325 0.000 1.148 577 Y CA 1.547 59.785 58.100 0.231 0.000 1.125 577 Y CB -0.329 38.362 38.460 0.385 0.000 0.975 577 Y HN 0.633 nan 8.280 nan 0.000 0.492 578 D N 0.054 120.781 120.400 0.545 0.000 2.311 578 D HA -0.170 4.471 4.640 0.001 0.000 0.212 578 D C 1.514 178.067 176.300 0.423 0.000 0.972 578 D CA 1.061 55.379 54.000 0.530 0.000 0.887 578 D CB -0.394 40.672 40.800 0.443 0.000 0.915 578 D HN 0.396 nan 8.370 nan 0.000 0.497 579 D N -0.289 120.279 120.400 0.281 0.000 2.097 579 D HA -0.165 4.475 4.640 0.001 0.000 0.195 579 D C 1.849 178.210 176.300 0.101 0.000 0.989 579 D CA 0.692 54.833 54.000 0.236 0.000 0.827 579 D CB -0.257 40.725 40.800 0.304 0.000 0.966 579 D HN 0.318 nan 8.370 nan 0.000 0.456 580 Y N 0.890 120.942 120.300 -0.413 0.000 2.219 580 Y HA -0.266 4.285 4.550 0.001 0.000 0.283 580 Y C 2.448 178.119 175.900 -0.382 0.000 1.191 580 Y CA 1.359 58.860 58.100 -0.998 0.000 1.199 580 Y CB -0.588 37.157 38.460 -1.191 0.000 0.972 580 Y HN 0.279 nan 8.280 nan 0.000 0.527 581 H N -0.094 119.033 119.070 0.095 0.000 2.478 581 H HA -0.234 4.323 4.556 0.001 0.000 0.294 581 H C 2.108 177.085 175.328 -0.585 0.000 1.125 581 H CA 1.933 57.780 56.048 -0.336 0.000 1.225 581 H CB -0.572 29.034 29.762 -0.259 0.000 1.360 581 H HN 0.450 nan 8.280 nan 0.000 0.519 582 I N 0.491 121.014 120.570 -0.078 0.000 2.099 582 I HA -0.305 3.866 4.170 0.001 0.000 0.239 582 I C 2.460 178.559 176.117 -0.029 0.000 1.066 582 I CA 1.083 62.369 61.300 -0.024 0.000 1.324 582 I CB -0.735 37.339 38.000 0.123 0.000 1.037 582 I HN 0.075 nan 8.210 nan 0.000 0.401 583 L N 0.360 121.610 121.223 0.045 0.000 2.408 583 L HA -0.262 4.079 4.340 0.001 0.000 0.220 583 L C 2.047 179.082 176.870 0.276 0.000 1.112 583 L CA 1.519 56.443 54.840 0.139 0.000 0.782 583 L CB -0.812 41.326 42.059 0.131 0.000 0.898 583 L HN 0.589 nan 8.230 nan 0.000 0.442 584 Y N -3.634 116.824 120.300 0.264 0.000 2.588 584 Y HA 0.458 5.008 4.550 0.001 0.000 0.247 584 Y C 2.121 178.175 175.900 0.256 0.000 1.157 584 Y CA -0.119 58.172 58.100 0.318 0.000 1.215 584 Y CB -1.131 37.445 38.460 0.193 0.000 1.245 584 Y HN -0.109 nan 8.280 nan 0.000 0.534 585 R N 1.628 122.328 120.500 0.333 0.000 2.073 585 R HA -0.075 4.266 4.340 0.001 0.000 0.234 585 R C 1.106 177.569 176.300 0.271 0.000 1.134 585 R CA 2.057 58.325 56.100 0.281 0.000 0.952 585 R CB -1.576 28.802 30.300 0.130 0.000 0.850 585 R HN 0.554 nan 8.270 nan 0.000 0.433 586 N N -0.723 118.126 118.700 0.248 0.000 2.362 586 N HA -0.023 4.717 4.740 0.001 0.000 0.211 586 N C -0.494 175.193 175.510 0.295 0.000 1.170 586 N CA -0.070 53.105 53.050 0.209 0.000 0.828 586 N CB 0.235 38.797 38.487 0.125 0.000 1.034 586 N HN 0.674 nan 8.380 nan 0.000 0.475 587 W N 1.694 123.096 121.300 0.169 0.000 1.843 587 W HA 0.413 5.073 4.660 0.001 0.000 0.309 587 W C 1.208 177.832 176.519 0.176 0.000 0.773 587 W CA -1.697 55.772 57.345 0.207 0.000 2.405 587 W CB -1.032 28.587 29.460 0.266 0.000 2.324 587 W HN -0.078 nan 8.180 nan 0.000 0.517 588 I N 1.268 122.085 120.570 0.410 0.000 2.236 588 I HA -0.236 3.935 4.170 0.001 0.000 0.249 588 I C 1.447 177.705 176.117 0.236 0.000 1.102 588 I CA 1.436 62.889 61.300 0.255 0.000 1.365 588 I CB -1.075 37.037 38.000 0.185 0.000 1.051 588 I HN 0.190 nan 8.210 nan 0.000 0.420 589 L N -0.103 121.339 121.223 0.364 0.000 2.483 589 L HA 0.382 4.723 4.340 0.001 0.000 0.277 589 L C 1.899 178.870 176.870 0.167 0.000 1.248 589 L CA 1.036 56.051 54.840 0.293 0.000 0.825 589 L CB 0.298 42.592 42.059 0.391 0.000 1.096 589 L HN 0.713 nan 8.230 nan 0.000 0.512 590 G N 1.242 110.110 108.800 0.113 0.000 2.343 590 G HA2 -0.254 3.707 3.960 0.001 0.000 0.264 590 G HA3 -0.254 3.707 3.960 0.001 0.000 0.264 590 G C 0.764 175.617 174.900 -0.078 0.000 0.989 590 G CA 0.674 45.786 45.100 0.020 0.000 0.627 590 G HN 1.639 nan 8.290 nan 0.000 0.549 591 G N -2.133 106.612 108.800 -0.090 0.000 2.660 591 G HA2 0.250 4.211 3.960 0.001 0.000 0.215 591 G HA3 0.250 4.211 3.960 0.001 0.000 0.215 591 G C -0.056 174.690 174.900 -0.256 0.000 1.345 591 G CA 0.190 45.215 45.100 -0.125 0.000 0.877 591 G HN 1.544 nan 8.290 nan 0.000 0.549 592 T N 3.008 117.410 114.554 -0.254 0.000 2.907 592 T HA 0.526 4.876 4.350 0.001 0.000 0.298 592 T C -2.012 172.428 174.700 -0.433 0.000 1.017 592 T CA -0.158 61.691 62.100 -0.418 0.000 1.118 592 T CB 1.207 69.913 68.868 -0.270 0.000 0.948 592 T HN 0.547 nan 8.240 nan 0.000 0.531 593 P HA 0.090 nan 4.420 nan 0.000 0.266 593 P C 0.785 177.944 177.300 -0.236 0.000 1.195 593 P CA -0.308 62.565 63.100 -0.379 0.000 0.768 593 P CB 0.483 31.957 31.700 -0.377 0.000 0.838 594 N N 2.526 121.128 118.700 -0.164 0.000 2.000 594 N HA -0.168 4.572 4.740 0.001 0.000 0.198 594 N C 1.242 176.641 175.510 -0.186 0.000 1.057 594 N CA 1.652 54.596 53.050 -0.177 0.000 0.858 594 N CB -0.814 37.587 38.487 -0.142 0.000 1.057 594 N HN 0.352 nan 8.380 nan 0.000 0.423 595 M N 1.139 120.672 119.600 -0.110 0.000 2.706 595 M HA 0.077 4.558 4.480 0.001 0.000 0.251 595 M C 1.671 178.061 176.300 0.151 0.000 1.070 595 M CA -0.154 55.140 55.300 -0.010 0.000 1.073 595 M CB -1.007 31.636 32.600 0.071 0.000 1.449 595 M HN 0.233 nan 8.290 nan 0.000 0.531 596 A N 0.381 123.228 122.820 0.045 0.000 2.234 596 A HA -0.131 4.190 4.320 0.001 0.000 0.216 596 A C 1.285 178.926 177.584 0.094 0.000 1.167 596 A CA 1.887 53.934 52.037 0.017 0.000 0.698 596 A CB -0.759 18.234 19.000 -0.012 0.000 0.779 596 A HN 0.614 nan 8.150 nan 0.000 0.475 597 D N -2.593 117.876 120.400 0.115 0.000 2.538 597 D HA 0.028 4.669 4.640 0.001 0.000 0.241 597 D C 0.961 177.322 176.300 0.103 0.000 1.297 597 D CA 0.178 54.255 54.000 0.128 0.000 0.804 597 D CB -0.351 40.439 40.800 -0.016 0.000 1.122 597 D HN 0.567 nan 8.370 nan 0.000 0.519 598 R N 0.100 120.599 120.500 -0.002 0.000 2.555 598 R HA 0.172 4.512 4.340 0.001 0.000 0.312 598 R C 1.564 177.708 176.300 -0.260 0.000 0.938 598 R CA -0.386 55.532 56.100 -0.302 0.000 1.112 598 R CB -0.854 29.029 30.300 -0.696 0.000 1.535 598 R HN 0.124 nan 8.270 nan 0.000 0.525 599 W N 4.150 125.462 121.300 0.020 0.000 2.305 599 W HA -0.272 4.388 4.660 0.001 0.000 0.308 599 W C 1.391 177.951 176.519 0.069 0.000 1.226 599 W CA 1.958 59.367 57.345 0.106 0.000 1.253 599 W CB -1.376 28.210 29.460 0.210 0.000 1.146 599 W HN 0.259 nan 8.180 nan 0.000 0.507 600 H N 0.626 118.727 119.070 -1.616 0.000 2.456 600 H HA 0.081 4.638 4.556 0.001 0.000 0.296 600 H C -0.233 174.752 175.328 -0.571 0.000 1.079 600 H CA 1.202 56.333 56.048 -1.530 0.000 1.322 600 H CB -1.089 27.662 29.762 -1.687 0.000 1.388 600 H HN 0.231 nan 8.280 nan 0.000 0.538 601 E N 1.848 121.586 120.200 -0.770 0.000 2.257 601 E HA -0.007 4.344 4.350 0.001 0.000 0.278 601 E C 0.075 176.671 176.600 -0.007 0.000 1.049 601 E CA -0.285 55.927 56.400 -0.312 0.000 0.876 601 E CB 0.932 30.502 29.700 -0.217 0.000 1.035 601 E HN 0.242 nan 8.360 nan 0.000 0.419 602 D N 2.431 122.861 120.400 0.051 0.000 2.154 602 D HA -0.269 4.372 4.640 0.001 0.000 0.190 602 D C 1.790 178.229 176.300 0.232 0.000 1.003 602 D CA 1.446 55.575 54.000 0.215 0.000 0.849 602 D CB 0.022 40.943 40.800 0.201 0.000 0.942 602 D HN 0.395 nan 8.370 nan 0.000 0.446 603 R N -0.419 120.099 120.500 0.030 0.000 2.113 603 R HA -0.191 4.150 4.340 0.001 0.000 0.244 603 R C 2.003 178.160 176.300 -0.238 0.000 1.142 603 R CA 1.754 57.741 56.100 -0.189 0.000 0.953 603 R CB -0.541 29.453 30.300 -0.510 0.000 0.860 603 R HN 0.346 nan 8.270 nan 0.000 0.438 604 W N -0.738 120.596 121.300 0.057 0.000 2.678 604 W HA -0.011 4.650 4.660 0.001 0.000 0.256 604 W C 1.824 178.455 176.519 0.187 0.000 1.280 604 W CA -0.306 57.080 57.345 0.067 0.000 1.345 604 W CB -0.227 29.185 29.460 -0.080 0.000 1.118 604 W HN 0.112 nan 8.180 nan 0.000 0.629 605 F N 0.806 120.903 119.950 0.245 0.000 2.259 605 F HA 0.055 4.582 4.527 0.001 0.000 0.298 605 F C 2.093 178.139 175.800 0.410 0.000 1.088 605 F CA 1.955 60.115 58.000 0.268 0.000 1.358 605 F CB -0.697 38.442 39.000 0.233 0.000 1.040 605 F HN -0.153 nan 8.300 nan 0.000 0.505 606 G N -1.294 107.736 108.800 0.383 0.000 2.396 606 G HA2 -0.286 3.675 3.960 0.001 0.000 0.214 606 G HA3 -0.286 3.675 3.960 0.001 0.000 0.214 606 G C 1.607 176.585 174.900 0.130 0.000 1.166 606 G CA 0.612 45.883 45.100 0.284 0.000 0.793 606 G HN 0.495 nan 8.290 nan 0.000 0.533 607 Y N 1.528 121.823 120.300 -0.009 0.000 2.096 607 Y HA -0.348 4.203 4.550 0.001 0.000 0.278 607 Y C 3.013 178.919 175.900 0.011 0.000 1.192 607 Y CA 2.587 60.675 58.100 -0.020 0.000 1.143 607 Y CB -0.039 38.469 38.460 0.080 0.000 0.963 607 Y HN 0.286 nan 8.280 nan 0.000 0.505 608 Q N -1.187 118.784 119.800 0.286 0.000 2.291 608 Q HA -0.180 4.161 4.340 0.001 0.000 0.206 608 Q C 1.768 177.644 176.000 -0.207 0.000 0.976 608 Q CA 1.264 57.116 55.803 0.082 0.000 0.875 608 Q CB -0.334 28.365 28.738 -0.065 0.000 0.927 608 Q HN 0.553 nan 8.270 nan 0.000 0.450 609 F N -0.146 119.664 119.950 -0.234 0.000 2.699 609 F HA -0.038 4.489 4.527 0.001 0.000 0.298 609 F C 1.668 177.261 175.800 -0.345 0.000 1.154 609 F CA 0.730 58.523 58.000 -0.346 0.000 1.457 609 F CB 0.256 38.862 39.000 -0.658 0.000 1.106 609 F HN 0.023 nan 8.300 nan 0.000 0.585 610 L N -1.465 119.652 121.223 -0.178 0.000 2.526 610 L HA 0.138 4.479 4.340 0.001 0.000 0.210 610 L C 1.072 178.029 176.870 0.145 0.000 1.048 610 L CA 0.392 55.141 54.840 -0.151 0.000 0.852 610 L CB -0.051 41.764 42.059 -0.408 0.000 1.128 610 L HN -0.076 nan 8.230 nan 0.000 0.482 611 N N 0.187 118.866 118.700 -0.036 0.000 2.200 611 N HA 0.148 4.889 4.740 0.001 0.000 0.224 611 N C 0.628 176.349 175.510 0.352 0.000 1.179 611 N CA 0.221 53.334 53.050 0.104 0.000 0.877 611 N CB 1.384 39.919 38.487 0.079 0.000 1.072 611 N HN 0.159 nan 8.380 nan 0.000 0.519 612 G N 0.368 109.273 108.800 0.175 0.000 2.546 612 G HA2 0.392 4.353 3.960 0.001 0.000 0.239 612 G HA3 0.392 4.353 3.960 0.001 0.000 0.239 612 G C 0.815 175.681 174.900 -0.056 0.000 1.476 612 G CA 0.350 45.538 45.100 0.146 0.000 1.064 612 G HN 0.138 nan 8.290 nan 0.000 0.561 613 A N -1.377 121.221 122.820 -0.371 0.000 2.195 613 A HA 0.223 4.544 4.320 0.001 0.000 0.210 613 A C 1.316 178.691 177.584 -0.350 0.000 1.165 613 A CA 0.263 51.937 52.037 -0.605 0.000 0.806 613 A CB -0.163 18.063 19.000 -1.290 0.000 0.847 613 A HN 0.529 nan 8.150 nan 0.000 0.482 614 N N 0.324 118.864 118.700 -0.265 0.000 2.735 614 N HA 0.212 4.952 4.740 0.001 0.000 0.312 614 N C -2.402 173.075 175.510 -0.056 0.000 1.843 614 N CA -1.360 51.673 53.050 -0.029 0.000 0.945 614 N CB 0.798 39.331 38.487 0.078 0.000 1.299 614 N HN 0.031 nan 8.380 nan 0.000 0.489 615 P HA -0.049 nan 4.420 nan 0.000 0.242 615 P C 0.751 178.032 177.300 -0.032 0.000 1.198 615 P CA 0.432 63.427 63.100 -0.176 0.000 0.756 615 P CB 0.330 31.556 31.700 -0.790 0.000 0.911 616 V N 0.067 119.990 119.914 0.015 0.000 6.227 616 V HA -0.047 4.073 4.120 0.001 0.000 0.208 616 V C 2.353 178.485 176.094 0.064 0.000 1.547 616 V CA 0.296 62.657 62.300 0.101 0.000 0.816 616 V CB -1.222 30.707 31.823 0.177 0.000 1.454 616 V HN 0.057 nan 8.190 nan 0.000 0.355 617 I N -1.072 119.520 120.570 0.036 0.000 4.613 617 I HA -0.421 3.749 4.170 0.001 0.000 0.067 617 I C 1.136 177.190 176.117 -0.104 0.000 0.627 617 I CA 1.571 62.788 61.300 -0.138 0.000 0.700 617 I CB -1.770 36.005 38.000 -0.375 0.000 0.645 617 I HN 0.417 nan 8.210 nan 0.000 0.174 618 L N 3.188 124.358 121.223 -0.087 0.000 2.776 618 L HA 0.031 4.371 4.340 0.001 0.000 0.283 618 L C 0.438 177.285 176.870 -0.037 0.000 1.194 618 L CA 1.847 56.623 54.840 -0.107 0.000 0.947 618 L CB -0.127 41.793 42.059 -0.233 0.000 1.255 618 L HN 0.700 nan 8.230 nan 0.000 0.481 619 T N 3.065 117.635 114.554 0.026 0.000 2.900 619 T HA 0.424 4.775 4.350 0.001 0.000 0.295 619 T C -0.196 174.575 174.700 0.118 0.000 1.044 619 T CA -1.112 61.029 62.100 0.069 0.000 0.995 619 T CB 1.329 70.212 68.868 0.025 0.000 1.072 619 T HN 0.681 nan 8.240 nan 0.000 0.473 620 R N 0.693 121.248 120.500 0.091 0.000 2.537 620 R HA 0.328 4.669 4.340 0.001 0.000 0.280 620 R C -0.427 175.777 176.300 -0.160 0.000 1.058 620 R CA -0.481 55.501 56.100 -0.198 0.000 1.057 620 R CB 0.066 30.230 30.300 -0.226 0.000 0.973 620 R HN 0.828 nan 8.270 nan 0.000 0.438 621 C N 5.910 125.079 119.300 -0.218 0.000 2.256 621 C HA 0.206 4.666 4.460 0.001 0.000 0.333 621 C C 0.817 175.740 174.990 -0.112 0.000 1.183 621 C CA -0.786 58.172 59.018 -0.100 0.000 1.692 621 C CB -0.469 27.247 27.740 -0.039 0.000 2.274 621 C HN 0.829 nan 8.230 nan 0.000 0.509 622 D N 3.147 123.502 120.400 -0.075 0.000 2.289 622 D HA 0.193 4.834 4.640 0.001 0.000 0.207 622 D C 0.616 176.887 176.300 -0.047 0.000 0.966 622 D CA 0.958 54.917 54.000 -0.067 0.000 0.868 622 D CB 0.423 41.193 40.800 -0.050 0.000 0.943 622 D HN 0.756 nan 8.370 nan 0.000 0.514 623 A N 0.191 122.993 122.820 -0.030 0.000 2.547 623 A HA 0.383 4.704 4.320 0.001 0.000 0.298 623 A C -0.948 176.639 177.584 0.005 0.000 1.062 623 A CA -0.675 51.352 52.037 -0.018 0.000 0.748 623 A CB 0.602 19.594 19.000 -0.014 0.000 1.288 623 A HN 0.047 nan 8.150 nan 0.000 0.396 624 L N 4.042 125.267 121.223 0.002 0.000 2.559 624 L HA 0.194 4.534 4.340 0.001 0.000 0.274 624 L C -1.388 175.524 176.870 0.070 0.000 1.205 624 L CA -0.987 53.872 54.840 0.032 0.000 0.907 624 L CB 0.494 42.536 42.059 -0.027 0.000 1.153 624 L HN 0.556 nan 8.230 nan 0.000 0.490 625 P HA -0.011 nan 4.420 nan 0.000 0.264 625 P C 0.656 178.030 177.300 0.123 0.000 1.193 625 P CA -0.201 62.971 63.100 0.121 0.000 0.763 625 P CB 0.801 32.586 31.700 0.141 0.000 0.810 626 S N 2.515 118.263 115.700 0.079 0.000 2.461 626 S HA -0.262 4.209 4.470 0.001 0.000 0.246 626 S C 1.031 175.681 174.600 0.084 0.000 1.007 626 S CA 1.612 59.852 58.200 0.066 0.000 0.976 626 S CB -1.245 61.982 63.200 0.045 0.000 0.763 626 S HN 0.744 nan 8.310 nan 0.000 0.508 627 N N -0.999 117.769 118.700 0.113 0.000 2.204 627 N HA 0.228 4.969 4.740 0.001 0.000 0.219 627 N C -0.336 175.300 175.510 0.210 0.000 1.151 627 N CA -0.528 52.594 53.050 0.119 0.000 0.867 627 N CB 0.182 38.718 38.487 0.081 0.000 1.043 627 N HN 0.304 nan 8.380 nan 0.000 0.516 628 F N 1.722 121.684 119.950 0.019 0.000 2.449 628 F HA 0.534 5.061 4.527 0.001 0.000 0.344 628 F C -2.653 173.158 175.800 0.018 0.000 1.180 628 F CA -3.509 54.500 58.000 0.016 0.000 1.209 628 F CB 1.332 40.343 39.000 0.018 0.000 1.440 628 F HN -0.085 nan 8.300 nan 0.000 0.526 629 P HA -0.009 nan 4.420 nan 0.000 0.262 629 P C -0.154 177.127 177.300 -0.031 0.000 1.647 629 P CA 0.466 63.577 63.100 0.017 0.000 0.865 629 P CB -0.359 31.383 31.700 0.070 0.000 1.834 630 V N 0.690 120.439 119.914 -0.274 0.000 2.585 630 V HA 0.139 4.260 4.120 0.001 0.000 0.296 630 V C 1.104 177.216 176.094 0.030 0.000 1.035 630 V CA 0.372 62.544 62.300 -0.214 0.000 1.084 630 V CB 0.316 31.785 31.823 -0.590 0.000 0.953 630 V HN 0.315 nan 8.190 nan 0.000 0.483 631 T N 0.705 115.421 114.554 0.269 0.000 2.924 631 T HA 0.298 4.648 4.350 0.001 0.000 0.291 631 T C 0.922 175.550 174.700 -0.120 0.000 1.045 631 T CA -0.741 61.306 62.100 -0.089 0.000 1.015 631 T CB 1.559 70.228 68.868 -0.331 0.000 1.103 631 T HN 0.425 nan 8.240 nan 0.000 0.496 632 N N 0.688 119.307 118.700 -0.135 0.000 2.205 632 N HA -0.160 4.581 4.740 0.001 0.000 0.186 632 N C 1.997 177.420 175.510 -0.145 0.000 1.015 632 N CA 1.748 54.724 53.050 -0.124 0.000 0.862 632 N CB -0.383 38.036 38.487 -0.114 0.000 0.986 632 N HN 0.937 nan 8.380 nan 0.000 0.429 633 E N 0.264 120.337 120.200 -0.211 0.000 2.472 633 E HA -0.147 4.204 4.350 0.001 0.000 0.200 633 E C 1.423 177.891 176.600 -0.220 0.000 1.046 633 E CA 0.824 57.087 56.400 -0.228 0.000 0.871 633 E CB -0.640 28.901 29.700 -0.266 0.000 0.806 633 E HN 0.521 nan 8.360 nan 0.000 0.533 634 H N -0.790 118.214 119.070 -0.109 0.000 2.297 634 H HA 0.118 4.675 4.556 0.001 0.000 0.317 634 H C 2.430 177.704 175.328 -0.090 0.000 1.062 634 H CA 1.501 57.489 56.048 -0.099 0.000 1.431 634 H CB -0.305 29.389 29.762 -0.113 0.000 1.452 634 H HN 0.307 nan 8.280 nan 0.000 0.565 635 V N 1.405 121.351 119.914 0.052 0.000 2.229 635 V HA -0.233 3.888 4.120 0.001 0.000 0.243 635 V C 2.413 178.459 176.094 -0.080 0.000 1.042 635 V CA 2.189 64.478 62.300 -0.019 0.000 1.000 635 V CB -1.518 30.259 31.823 -0.076 0.000 0.637 635 V HN 0.759 nan 8.190 nan 0.000 0.446 636 N N 0.320 118.946 118.700 -0.124 0.000 1.972 636 N HA -0.495 4.246 4.740 0.001 0.000 0.131 636 N C 1.950 177.366 175.510 -0.156 0.000 0.187 636 N CA 4.071 57.032 53.050 -0.148 0.000 1.494 636 N CB -1.739 36.664 38.487 -0.140 0.000 1.036 636 N HN 1.037 nan 8.380 nan 0.000 0.738 637 A N -0.183 122.513 122.820 -0.207 0.000 1.923 637 A HA -0.079 4.242 4.320 0.001 0.000 0.222 637 A C 2.126 179.667 177.584 -0.071 0.000 1.258 637 A CA 3.533 55.415 52.037 -0.257 0.000 0.670 637 A CB -1.250 17.286 19.000 -0.773 0.000 0.834 637 A HN 1.973 nan 8.150 nan 0.000 0.470 638 S N -0.736 115.000 115.700 0.060 0.000 3.324 638 S HA 0.617 5.087 4.470 0.001 0.000 0.229 638 S C -0.332 174.222 174.600 -0.076 0.000 1.417 638 S CA -0.312 57.943 58.200 0.093 0.000 1.211 638 S CB -0.500 62.791 63.200 0.152 0.000 1.157 638 S HN 0.326 nan 8.310 nan 0.000 0.491 639 L N 1.463 122.599 121.223 -0.145 0.000 2.457 639 L HA 0.503 4.844 4.340 0.001 0.000 0.266 639 L C 0.391 177.241 176.870 -0.032 0.000 0.979 639 L CA -0.330 54.303 54.840 -0.345 0.000 0.857 639 L CB 1.276 43.086 42.059 -0.415 0.000 1.213 639 L HN 0.488 nan 8.230 nan 0.000 0.418 640 D N 1.745 122.272 120.400 0.211 0.000 2.414 640 D HA 0.793 5.434 4.640 0.001 0.000 0.259 640 D C 0.737 177.125 176.300 0.148 0.000 1.269 640 D CA 0.677 54.774 54.000 0.162 0.000 1.028 640 D CB 0.454 41.354 40.800 0.167 0.000 1.093 640 D HN 0.915 nan 8.370 nan 0.000 0.545 645 L N 2.135 123.298 121.223 -0.101 0.000 2.062 645 L HA 0.430 4.771 4.340 0.001 0.000 0.202 645 L C 0.953 177.782 176.870 -0.069 0.000 1.079 645 L CA 1.987 56.766 54.840 -0.102 0.000 0.755 645 L CB -1.048 40.945 42.059 -0.110 0.000 0.913 645 L HN 0.814 nan 8.230 nan 0.000 0.445 646 D N -0.358 120.003 120.400 -0.065 0.000 2.265 646 D HA -0.169 4.472 4.640 0.001 0.000 0.208 646 D C 1.911 178.182 176.300 -0.048 0.000 0.977 646 D CA 1.232 55.199 54.000 -0.056 0.000 0.871 646 D CB 0.158 40.926 40.800 -0.054 0.000 0.925 646 D HN 0.556 nan 8.370 nan 0.000 0.485 647 E N 0.110 120.283 120.200 -0.044 0.000 2.086 647 E HA -0.126 4.224 4.350 0.001 0.000 0.190 647 E C 1.745 178.327 176.600 -0.031 0.000 0.975 647 E CA 0.535 56.913 56.400 -0.036 0.000 0.813 647 E CB 0.095 29.779 29.700 -0.027 0.000 0.768 647 E HN 0.114 nan 8.360 nan 0.000 0.457 648 E N 1.163 121.358 120.200 -0.009 0.000 2.023 648 E HA -0.133 4.218 4.350 0.001 0.000 0.196 648 E C 1.033 177.636 176.600 0.005 0.000 1.003 648 E CA 0.988 57.419 56.400 0.051 0.000 0.809 648 E CB -0.498 29.253 29.700 0.086 0.000 0.755 648 E HN 0.222 nan 8.360 nan 0.000 0.449 649 I N -0.574 119.986 120.570 -0.018 0.000 2.813 649 I HA 0.408 4.579 4.170 0.001 0.000 0.287 649 I C 1.295 177.367 176.117 -0.076 0.000 1.196 649 I CA 0.885 62.152 61.300 -0.055 0.000 1.421 649 I CB -1.367 36.600 38.000 -0.054 0.000 1.365 649 I HN 0.509 nan 8.210 nan 0.000 0.591 650 K N 2.410 122.750 120.400 -0.101 0.000 3.512 650 K HA -0.219 4.102 4.320 0.001 0.000 0.309 650 K C 0.647 177.177 176.600 -0.117 0.000 1.350 650 K CA 1.839 58.069 56.287 -0.094 0.000 0.960 650 K CB -2.494 29.965 32.500 -0.068 0.000 1.290 650 K HN 1.702 nan 8.250 nan 0.000 0.454 651 D N -1.824 118.473 120.400 -0.172 0.000 2.539 651 D HA 0.372 5.012 4.640 0.001 0.000 0.232 651 D C 1.078 177.104 176.300 -0.456 0.000 1.256 651 D CA 1.668 55.505 54.000 -0.272 0.000 0.810 651 D CB 0.338 40.981 40.800 -0.262 0.000 1.090 651 D HN 1.425 nan 8.370 nan 0.000 0.519 652 G N 1.381 110.012 108.800 -0.281 0.000 2.198 652 G HA2 -0.287 3.674 3.960 0.001 0.000 0.260 652 G HA3 -0.287 3.674 3.960 0.001 0.000 0.260 652 G C 0.433 175.328 174.900 -0.008 0.000 1.025 652 G CA 0.403 45.381 45.100 -0.203 0.000 0.769 652 G HN 0.466 nan 8.290 nan 0.000 0.507 653 H N -0.951 118.132 119.070 0.021 0.000 2.581 653 H HA 0.456 5.013 4.556 0.001 0.000 0.275 653 H C 0.841 176.298 175.328 0.216 0.000 1.126 653 H CA -0.423 55.723 56.048 0.162 0.000 1.097 653 H CB 0.452 30.323 29.762 0.183 0.000 1.626 653 H HN 0.481 nan 8.280 nan 0.000 0.565 654 I N 1.111 121.700 120.570 0.031 0.000 2.534 654 I HA 0.222 4.392 4.170 0.001 0.000 0.288 654 I C -1.194 174.717 176.117 -0.344 0.000 1.077 654 I CA -0.759 60.568 61.300 0.045 0.000 1.051 654 I CB 1.869 39.907 38.000 0.063 0.000 1.234 654 I HN -0.090 nan 8.210 nan 0.000 0.425 655 Y N 6.050 126.435 120.300 0.143 0.000 2.570 655 Y HA 0.680 5.230 4.550 0.001 0.000 0.345 655 Y C -0.273 175.745 175.900 0.198 0.000 1.014 655 Y CA -0.891 57.269 58.100 0.101 0.000 1.063 655 Y CB 2.286 40.747 38.460 0.002 0.000 1.272 655 Y HN 0.345 nan 8.280 nan 0.000 0.477 656 I N 1.003 121.726 120.570 0.254 0.000 2.969 656 I HA 0.747 4.918 4.170 0.001 0.000 0.307 656 I C -1.813 174.376 176.117 0.120 0.000 1.149 656 I CA -1.050 60.395 61.300 0.241 0.000 1.008 656 I CB 2.018 40.131 38.000 0.188 0.000 1.232 656 I HN 0.393 nan 8.210 nan 0.000 0.435 657 V N 4.183 124.150 119.914 0.088 0.000 2.540 657 V HA 0.440 4.561 4.120 0.001 0.000 0.302 657 V C -1.261 174.729 176.094 -0.173 0.000 1.035 657 V CA -0.378 61.860 62.300 -0.104 0.000 0.873 657 V CB 1.716 33.507 31.823 -0.055 0.000 0.992 657 V HN 0.709 nan 8.190 nan 0.000 0.428 658 D N 2.828 123.038 120.400 -0.318 0.000 2.363 658 D HA 0.373 5.014 4.640 0.001 0.000 0.258 658 D C -0.275 175.862 176.300 -0.272 0.000 1.259 658 D CA -0.389 53.474 54.000 -0.227 0.000 0.921 658 D CB 0.503 41.227 40.800 -0.127 0.000 1.201 658 D HN 0.341 nan 8.370 nan 0.000 0.524 659 F N 2.529 122.436 119.950 -0.071 0.000 2.730 659 F HA 0.080 4.607 4.527 0.001 0.000 0.333 659 F C 2.103 177.943 175.800 0.067 0.000 1.215 659 F CA 0.013 57.996 58.000 -0.028 0.000 1.388 659 F CB -0.070 38.926 39.000 -0.006 0.000 1.418 659 F HN 0.372 nan 8.300 nan 0.000 0.576 660 K N -1.169 119.318 120.400 0.143 0.000 2.209 660 K HA -0.138 4.183 4.320 0.001 0.000 0.204 660 K C 1.993 178.720 176.600 0.213 0.000 1.048 660 K CA 1.366 57.739 56.287 0.143 0.000 0.940 660 K CB -0.682 31.867 32.500 0.082 0.000 0.729 660 K HN 0.361 nan 8.250 nan 0.000 0.451 661 V N 1.627 121.720 119.914 0.298 0.000 2.688 661 V HA -0.061 4.060 4.120 0.001 0.000 0.256 661 V C 0.631 177.025 176.094 0.500 0.000 1.084 661 V CA 0.927 63.460 62.300 0.389 0.000 1.103 661 V CB -0.333 31.788 31.823 0.497 0.000 0.688 661 V HN 0.232 nan 8.190 nan 0.000 0.480 662 L N 0.192 121.663 121.223 0.414 0.000 2.417 662 L HA 0.335 4.675 4.340 0.001 0.000 0.268 662 L C 0.735 177.697 176.870 0.154 0.000 1.158 662 L CA 0.654 55.624 54.840 0.216 0.000 0.819 662 L CB 1.174 43.298 42.059 0.108 0.000 1.112 662 L HN 0.107 nan 8.230 nan 0.000 0.458 663 V N 1.373 121.343 119.914 0.093 0.000 5.892 663 V HA 0.019 4.140 4.120 0.001 0.000 0.943 663 V C 0.674 176.805 176.094 0.061 0.000 2.652 663 V CA 0.309 62.658 62.300 0.082 0.000 4.634 663 V CB 0.208 32.097 31.823 0.110 0.000 0.644 663 V HN 0.914 nan 8.190 nan 0.000 0.634 664 G N 0.405 109.220 108.800 0.026 0.000 2.611 664 G HA2 0.553 4.514 3.960 0.001 0.000 0.273 664 G HA3 0.553 4.514 3.960 0.001 0.000 0.273 664 G C 0.160 175.058 174.900 -0.003 0.000 1.305 664 G CA 0.358 45.472 45.100 0.024 0.000 1.010 664 G HN 0.866 nan 8.290 nan 0.000 0.509 665 A N 0.101 122.926 122.820 0.009 0.000 2.252 665 A HA 0.635 4.956 4.320 0.001 0.000 0.309 665 A C 0.416 177.989 177.584 -0.018 0.000 1.285 665 A CA -0.554 51.478 52.037 -0.008 0.000 0.900 665 A CB 0.706 19.711 19.000 0.007 0.000 1.157 665 A HN 0.553 nan 8.150 nan 0.000 0.536 666 K N 1.261 121.625 120.400 -0.059 0.000 2.952 666 K HA 0.661 4.981 4.320 0.001 0.000 0.323 666 K C 0.928 177.489 176.600 -0.065 0.000 1.003 666 K CA 0.505 56.751 56.287 -0.069 0.000 1.156 666 K CB -0.236 32.192 32.500 -0.120 0.000 1.339 666 K HN 1.208 nan 8.250 nan 0.000 0.516 667 S N -2.808 112.845 115.700 -0.078 0.000 3.795 667 S HA -0.016 4.455 4.470 0.001 0.000 0.682 667 S C -0.839 173.752 174.600 -0.015 0.000 1.792 667 S CA 0.484 58.654 58.200 -0.051 0.000 1.892 667 S CB -1.627 61.532 63.200 -0.067 0.000 0.343 667 S HN 1.260 nan 8.310 nan 0.000 1.341 690 D N 3.426 123.829 120.400 0.005 0.000 2.367 690 D HA 0.314 4.954 4.640 0.001 0.000 0.255 690 D C -0.394 175.920 176.300 0.023 0.000 1.300 690 D CA 0.596 54.609 54.000 0.023 0.000 0.959 690 D CB 0.134 40.954 40.800 0.032 0.000 1.064 690 D HN 0.477 nan 8.370 nan 0.000 0.509 691 I N 3.994 124.590 120.570 0.042 0.000 2.418 691 I HA 0.358 4.529 4.170 0.001 0.000 0.287 691 I C 0.549 176.730 176.117 0.108 0.000 1.008 691 I CA -0.828 60.505 61.300 0.055 0.000 1.104 691 I CB 1.687 39.758 38.000 0.118 0.000 1.264 691 I HN 0.026 nan 8.210 nan 0.000 0.438 692 R N 4.441 124.955 120.500 0.024 0.000 2.782 692 R HA 0.747 5.087 4.340 0.001 0.000 0.258 692 R C -1.535 174.775 176.300 0.017 0.000 1.055 692 R CA -0.825 55.330 56.100 0.091 0.000 1.065 692 R CB 1.717 32.025 30.300 0.013 0.000 1.172 692 R HN 0.362 nan 8.270 nan 0.000 0.510 693 Y N -1.056 119.268 120.300 0.040 0.000 2.588 693 Y HA 0.578 5.129 4.550 0.001 0.000 0.343 693 Y C -0.505 175.499 175.900 0.173 0.000 1.065 693 Y CA -0.857 57.335 58.100 0.153 0.000 1.038 693 Y CB 2.296 40.962 38.460 0.344 0.000 1.297 693 Y HN 0.551 nan 8.280 nan 0.000 0.467 694 C N 1.284 120.820 119.300 0.393 0.000 3.241 694 C HA 0.918 5.379 4.460 0.001 0.000 0.348 694 C C -1.013 174.133 174.990 0.261 0.000 1.180 694 C CA -0.194 59.003 59.018 0.298 0.000 1.273 694 C CB 0.268 28.051 27.740 0.072 0.000 1.620 694 C HN 1.084 nan 8.230 nan 0.000 0.510 695 A N 2.101 125.064 122.820 0.239 0.000 2.389 695 A HA 0.974 5.295 4.320 0.001 0.000 0.293 695 A C -0.379 177.255 177.584 0.082 0.000 1.186 695 A CA 0.087 52.193 52.037 0.115 0.000 0.828 695 A CB 1.290 20.335 19.000 0.076 0.000 1.369 695 A HN 2.179 nan 8.150 nan 0.000 0.446 696 A N 1.217 124.086 122.820 0.082 0.000 3.258 696 A HA 0.639 4.960 4.320 0.001 0.000 0.318 696 A C -2.660 174.996 177.584 0.120 0.000 0.990 696 A CA -1.228 50.890 52.037 0.135 0.000 0.885 696 A CB 0.121 19.195 19.000 0.124 0.000 1.090 696 A HN 0.524 nan 8.150 nan 0.000 0.479 697 P HA 0.694 nan 4.420 nan 0.000 0.302 697 P C -0.668 176.676 177.300 0.073 0.000 1.307 697 P CA -0.482 62.671 63.100 0.088 0.000 0.754 697 P CB 1.198 32.970 31.700 0.121 0.000 1.298 698 L N -4.041 117.109 121.223 -0.122 0.000 2.565 698 L HA 0.890 5.231 4.340 0.001 0.000 0.261 698 L C -1.434 175.174 176.870 -0.436 0.000 0.932 698 L CA -1.119 53.535 54.840 -0.310 0.000 0.878 698 L CB 1.626 43.341 42.059 -0.574 0.000 1.333 698 L HN 0.366 nan 8.230 nan 0.000 0.409 699 A N 3.310 126.060 122.820 -0.117 0.000 2.380 699 A HA 0.886 5.207 4.320 0.001 0.000 0.315 699 A C -1.414 176.225 177.584 0.091 0.000 1.101 699 A CA -0.680 51.368 52.037 0.017 0.000 0.771 699 A CB 2.181 21.124 19.000 -0.094 0.000 1.287 699 A HN 0.677 nan 8.150 nan 0.000 0.436 700 L N 1.767 123.015 121.223 0.042 0.000 2.313 700 L HA 0.686 5.027 4.340 0.001 0.000 0.283 700 L C -1.681 175.017 176.870 -0.286 0.000 1.013 700 L CA -0.210 54.650 54.840 0.033 0.000 0.816 700 L CB 0.751 42.847 42.059 0.062 0.000 1.236 700 L HN 0.698 nan 8.230 nan 0.000 0.419 701 F N 4.588 124.627 119.950 0.148 0.000 2.523 701 F HA 0.474 5.002 4.527 0.001 0.000 0.329 701 F C -0.530 175.430 175.800 0.266 0.000 1.061 701 F CA -0.649 57.448 58.000 0.161 0.000 0.967 701 F CB 1.690 40.718 39.000 0.047 0.000 1.218 701 F HN 0.376 nan 8.300 nan 0.000 0.480 702 Y N 1.105 121.579 120.300 0.291 0.000 2.386 702 Y HA 0.623 5.173 4.550 0.001 0.000 0.334 702 Y C -1.500 174.496 175.900 0.160 0.000 1.002 702 Y CA -1.548 56.679 58.100 0.212 0.000 1.068 702 Y CB 1.306 39.840 38.460 0.124 0.000 1.203 702 Y HN 0.353 nan 8.280 nan 0.000 0.443 703 V N 6.483 126.096 119.914 -0.500 0.000 2.397 703 V HA 0.077 4.197 4.120 0.001 0.000 0.262 703 V C 0.704 176.185 176.094 -1.023 0.000 1.047 703 V CA -0.255 61.690 62.300 -0.592 0.000 1.003 703 V CB -0.592 31.012 31.823 -0.364 0.000 1.037 703 V HN 0.914 nan 8.190 nan 0.000 0.480 704 N N 3.313 121.603 118.700 -0.682 0.000 2.146 704 N HA -0.060 4.681 4.740 0.001 0.000 0.215 704 N C 1.563 176.840 175.510 -0.389 0.000 1.313 704 N CA 0.618 53.396 53.050 -0.454 0.000 0.877 704 N CB 0.304 38.636 38.487 -0.258 0.000 1.076 704 N HN 0.755 nan 8.380 nan 0.000 0.437 705 K N 0.894 121.178 120.400 -0.193 0.000 2.283 705 K HA -0.053 4.268 4.320 0.001 0.000 0.202 705 K C 0.982 177.456 176.600 -0.209 0.000 1.048 705 K CA 1.306 57.507 56.287 -0.143 0.000 0.948 705 K CB -0.935 31.536 32.500 -0.049 0.000 0.742 705 K HN 0.552 nan 8.250 nan 0.000 0.458 706 L N -2.431 118.611 121.223 -0.302 0.000 2.599 706 L HA 0.603 4.944 4.340 0.001 0.000 0.241 706 L C 1.063 177.548 176.870 -0.642 0.000 1.207 706 L CA -0.633 53.957 54.840 -0.417 0.000 0.987 706 L CB 0.052 41.849 42.059 -0.436 0.000 1.318 706 L HN 0.205 nan 8.230 nan 0.000 0.458 707 G N 0.348 108.902 108.800 -0.411 0.000 2.424 707 G HA2 -0.328 3.633 3.960 0.001 0.000 0.323 707 G HA3 -0.328 3.633 3.960 0.001 0.000 0.323 707 G C 0.255 174.999 174.900 -0.260 0.000 0.949 707 G CA 0.806 45.709 45.100 -0.329 0.000 0.769 707 G HN 0.823 nan 8.290 nan 0.000 0.512 708 H N -1.399 117.549 119.070 -0.202 0.000 2.668 708 H HA 0.409 4.966 4.556 0.001 0.000 0.303 708 H C 0.230 175.445 175.328 -0.188 0.000 1.074 708 H CA -1.362 54.570 56.048 -0.193 0.000 1.406 708 H CB 1.495 31.155 29.762 -0.171 0.000 1.442 708 H HN 0.136 nan 8.280 nan 0.000 0.482 709 L N 4.524 125.709 121.223 -0.063 0.000 2.418 709 L HA 0.099 4.440 4.340 0.001 0.000 0.274 709 L C -0.732 176.213 176.870 0.126 0.000 1.135 709 L CA 0.267 55.072 54.840 -0.058 0.000 0.870 709 L CB 0.025 41.959 42.059 -0.209 0.000 1.154 709 L HN 0.627 nan 8.230 nan 0.000 0.462 710 M N 7.742 127.481 119.600 0.231 0.000 2.436 710 M HA 0.481 4.961 4.480 0.001 0.000 0.331 710 M C -2.469 174.107 176.300 0.460 0.000 1.135 710 M CA -2.122 53.378 55.300 0.333 0.000 0.987 710 M CB 1.734 34.481 32.600 0.245 0.000 1.687 710 M HN 0.370 nan 8.290 nan 0.000 0.445 711 P HA 0.284 nan 4.420 nan 0.000 0.287 711 P C 0.181 177.578 177.300 0.162 0.000 1.307 711 P CA -0.149 63.079 63.100 0.213 0.000 0.777 711 P CB 0.291 32.395 31.700 0.673 0.000 0.883 712 I N 0.830 121.400 120.570 -0.000 0.000 4.139 712 I HA 0.573 4.744 4.170 0.001 0.000 0.320 712 I C 0.290 176.385 176.117 -0.037 0.000 1.290 712 I CA -0.301 60.975 61.300 -0.041 0.000 1.253 712 I CB 0.599 38.602 38.000 0.005 0.000 1.122 712 I HN 0.130 nan 8.210 nan 0.000 0.421 713 A N 1.899 124.760 122.820 0.068 0.000 2.465 713 A HA 0.784 5.105 4.320 0.001 0.000 0.292 713 A C -1.137 176.677 177.584 0.384 0.000 1.041 713 A CA -0.299 51.849 52.037 0.186 0.000 0.718 713 A CB 1.175 20.168 19.000 -0.012 0.000 1.266 713 A HN 0.257 nan 8.150 nan 0.000 0.403 714 I N 2.164 123.030 120.570 0.494 0.000 2.439 714 I HA 0.311 4.482 4.170 0.001 0.000 0.283 714 I C -0.181 176.207 176.117 0.451 0.000 1.023 714 I CA -0.219 61.324 61.300 0.406 0.000 1.100 714 I CB 1.971 40.143 38.000 0.287 0.000 1.238 714 I HN 0.813 nan 8.210 nan 0.000 0.445 715 Q N 6.083 126.054 119.800 0.284 0.000 2.368 715 Q HA 0.402 4.743 4.340 0.001 0.000 0.256 715 Q C 0.621 176.692 176.000 0.118 0.000 0.980 715 Q CA -0.402 55.539 55.803 0.230 0.000 0.887 715 Q CB 1.437 30.251 28.738 0.127 0.000 1.221 715 Q HN 0.738 nan 8.270 nan 0.000 0.458 716 I N 2.508 123.196 120.570 0.197 0.000 2.335 716 I HA -0.184 3.986 4.170 0.001 0.000 0.251 716 I C 0.601 176.728 176.117 0.017 0.000 1.129 716 I CA 0.909 62.253 61.300 0.074 0.000 1.402 716 I CB 0.020 37.995 38.000 -0.042 0.000 1.069 716 I HN 0.586 nan 8.210 nan 0.000 0.424 717 N N -0.483 118.231 118.700 0.022 0.000 2.242 717 N HA 0.138 4.879 4.740 0.001 0.000 0.292 717 N C 0.314 175.831 175.510 0.012 0.000 1.125 717 N CA -0.478 52.577 53.050 0.008 0.000 0.783 717 N CB 1.950 40.430 38.487 -0.010 0.000 1.558 717 N HN -0.071 nan 8.380 nan 0.000 0.472 718 Q N 0.390 120.199 119.800 0.014 0.000 2.103 718 Q HA -0.211 4.129 4.340 0.001 0.000 0.213 718 Q C 0.310 176.328 176.000 0.030 0.000 1.008 718 Q CA 1.951 57.763 55.803 0.015 0.000 0.879 718 Q CB -0.887 27.870 28.738 0.032 0.000 0.946 718 Q HN 0.813 nan 8.270 nan 0.000 0.413 719 E N 3.934 124.154 120.200 0.033 0.000 2.029 719 E HA 0.232 4.583 4.350 0.001 0.000 0.276 719 E C -2.266 174.358 176.600 0.041 0.000 1.163 719 E CA -1.763 54.659 56.400 0.037 0.000 0.909 719 E CB -0.491 29.227 29.700 0.031 0.000 1.046 719 E HN 0.156 nan 8.360 nan 0.000 0.406 720 P HA 0.433 nan 4.420 nan 0.000 0.267 720 P C 0.409 177.730 177.300 0.034 0.000 1.200 720 P CA 0.637 63.771 63.100 0.057 0.000 0.772 720 P CB 1.267 33.013 31.700 0.077 0.000 0.855 721 G N 1.882 110.693 108.800 0.020 0.000 2.325 721 G HA2 0.246 4.206 3.960 0.001 0.000 0.297 721 G HA3 0.246 4.206 3.960 0.001 0.000 0.297 721 G C -2.627 172.266 174.900 -0.011 0.000 1.448 721 G CA -0.733 44.371 45.100 0.008 0.000 0.838 721 G HN 0.208 nan 8.290 nan 0.000 0.579 722 P HA -0.011 nan 4.420 nan 0.000 0.221 722 P C 1.379 178.665 177.300 -0.024 0.000 1.145 722 P CA 2.344 65.428 63.100 -0.027 0.000 0.795 722 P CB 0.166 31.858 31.700 -0.014 0.000 0.775 723 E N -0.030 120.169 120.200 -0.002 0.000 2.102 723 E HA -0.010 4.341 4.350 0.001 0.000 0.190 723 E C 1.565 178.184 176.600 0.031 0.000 0.971 723 E CA 1.065 57.476 56.400 0.018 0.000 0.821 723 E CB -1.514 28.199 29.700 0.021 0.000 0.777 723 E HN 0.489 nan 8.360 nan 0.000 0.460 724 N N 2.607 121.320 118.700 0.022 0.000 3.105 724 N HA 0.405 5.145 4.740 0.001 0.000 0.256 724 N C -2.393 173.116 175.510 -0.003 0.000 1.174 724 N CA -1.101 51.978 53.050 0.049 0.000 1.030 724 N CB 0.313 38.827 38.487 0.046 0.000 1.305 724 N HN 0.310 nan 8.380 nan 0.000 0.509 725 P HA 0.344 nan 4.420 nan 0.000 0.274 725 P C -0.623 176.449 177.300 -0.381 0.000 1.256 725 P CA -0.436 62.464 63.100 -0.333 0.000 0.795 725 P CB 1.251 32.572 31.700 -0.631 0.000 1.038 726 I N 1.125 121.464 120.570 -0.384 0.000 2.301 726 I HA 0.143 4.313 4.170 0.001 0.000 0.292 726 I C -0.060 175.870 176.117 -0.311 0.000 1.046 726 I CA -0.398 60.748 61.300 -0.257 0.000 1.282 726 I CB -0.692 37.035 38.000 -0.456 0.000 1.409 726 I HN 0.339 nan 8.210 nan 0.000 0.484 727 W N 5.500 126.869 121.300 0.113 0.000 2.351 727 W HA 0.411 5.071 4.660 0.001 0.000 0.311 727 W C 0.907 177.573 176.519 0.244 0.000 1.168 727 W CA -0.349 57.122 57.345 0.209 0.000 1.200 727 W CB 0.835 30.484 29.460 0.315 0.000 1.221 727 W HN 0.348 nan 8.180 nan 0.000 0.519 728 T N 3.546 118.244 114.554 0.241 0.000 2.950 728 T HA 0.385 4.735 4.350 0.001 0.000 0.288 728 T C -1.786 172.395 174.700 -0.866 0.000 1.035 728 T CA -2.605 59.379 62.100 -0.194 0.000 1.028 728 T CB 1.458 70.284 68.868 -0.072 0.000 1.109 728 T HN 0.242 nan 8.240 nan 0.000 0.514 729 P HA 0.114 nan 4.420 nan 0.000 0.263 729 P C 0.161 176.645 177.300 -1.360 0.000 1.386 729 P CA 0.423 62.060 63.100 -2.439 0.000 0.797 729 P CB -0.109 30.510 31.700 -1.801 0.000 1.381 730 H N -1.318 117.464 119.070 -0.481 0.000 2.893 730 H HA 0.166 4.723 4.556 0.001 0.000 0.270 730 H C 0.282 175.557 175.328 -0.089 0.000 1.095 730 H CA -0.270 55.644 56.048 -0.224 0.000 1.186 730 H CB 0.437 30.098 29.762 -0.167 0.000 1.562 730 H HN 0.153 nan 8.280 nan 0.000 0.536 731 E N 2.656 122.875 120.200 0.032 0.000 2.924 731 E HA -0.144 4.207 4.350 0.001 0.000 0.236 731 E C 1.418 178.098 176.600 0.132 0.000 1.028 731 E CA 0.247 56.751 56.400 0.174 0.000 0.952 731 E CB 0.393 30.312 29.700 0.365 0.000 0.918 731 E HN 0.591 nan 8.360 nan 0.000 0.536 732 E N 3.184 123.448 120.200 0.107 0.000 2.301 732 E HA -0.305 4.046 4.350 0.001 0.000 0.202 732 E C 0.389 177.037 176.600 0.081 0.000 1.017 732 E CA 1.513 57.960 56.400 0.078 0.000 0.831 732 E CB -0.009 29.730 29.700 0.064 0.000 0.742 732 E HN 0.468 nan 8.360 nan 0.000 0.491 733 N N 0.260 119.035 118.700 0.124 0.000 3.234 733 N HA 0.328 5.068 4.740 0.001 0.000 0.272 733 N C 0.863 176.441 175.510 0.113 0.000 1.254 733 N CA 0.861 53.980 53.050 0.116 0.000 1.087 733 N CB -0.394 38.193 38.487 0.167 0.000 1.356 733 N HN 0.439 nan 8.380 nan 0.000 0.511 734 E N -0.131 120.091 120.200 0.037 0.000 2.446 734 E HA -0.416 3.935 4.350 0.001 0.000 0.248 734 E C 1.394 178.062 176.600 0.113 0.000 1.081 734 E CA 2.624 59.040 56.400 0.027 0.000 1.143 734 E CB -1.890 27.736 29.700 -0.123 0.000 1.012 734 E HN 1.002 nan 8.360 nan 0.000 0.487 735 H N 0.333 119.490 119.070 0.145 0.000 2.394 735 H HA -0.099 4.458 4.556 0.001 0.000 0.297 735 H C 2.227 177.604 175.328 0.081 0.000 1.113 735 H CA 0.973 57.099 56.048 0.131 0.000 1.277 735 H CB 0.089 29.931 29.762 0.134 0.000 1.370 735 H HN 0.574 nan 8.280 nan 0.000 0.506 736 D N -0.062 120.472 120.400 0.223 0.000 2.144 736 D HA -0.189 4.451 4.640 0.001 0.000 0.200 736 D C 1.947 178.250 176.300 0.004 0.000 0.978 736 D CA 0.797 54.847 54.000 0.082 0.000 0.833 736 D CB -0.324 40.661 40.800 0.310 0.000 0.961 736 D HN 0.604 nan 8.370 nan 0.000 0.470 737 W N 1.133 122.425 121.300 -0.013 0.000 2.453 737 W HA -0.099 4.562 4.660 0.001 0.000 0.289 737 W C 2.034 178.440 176.519 -0.189 0.000 1.215 737 W CA 0.215 57.523 57.345 -0.062 0.000 1.297 737 W CB -0.073 29.368 29.460 -0.032 0.000 1.113 737 W HN -0.110 nan 8.180 nan 0.000 0.551 738 M N 1.072 120.506 119.600 -0.277 0.000 2.132 738 M HA -0.213 4.268 4.480 0.001 0.000 0.263 738 M C 2.279 178.217 176.300 -0.603 0.000 1.065 738 M CA 1.975 56.940 55.300 -0.559 0.000 1.122 738 M CB -0.662 31.798 32.600 -0.234 0.000 1.365 738 M HN -0.037 nan 8.290 nan 0.000 0.411 739 M N 0.125 119.594 119.600 -0.218 0.000 2.159 739 M HA -0.013 4.468 4.480 0.001 0.000 0.263 739 M C 1.985 178.228 176.300 -0.095 0.000 1.063 739 M CA 1.933 57.221 55.300 -0.019 0.000 1.110 739 M CB -0.752 31.858 32.600 0.018 0.000 1.374 739 M HN 0.367 nan 8.290 nan 0.000 0.411 740 A N 0.147 122.738 122.820 -0.383 0.000 1.845 740 A HA -0.225 4.095 4.320 0.001 0.000 0.215 740 A C 2.141 179.557 177.584 -0.280 0.000 1.195 740 A CA 2.141 53.948 52.037 -0.383 0.000 0.616 740 A CB -0.723 17.985 19.000 -0.486 0.000 0.832 740 A HN 0.573 nan 8.150 nan 0.000 0.443 741 K N -1.075 118.927 120.400 -0.664 0.000 2.044 741 K HA -0.180 4.141 4.320 0.001 0.000 0.210 741 K C 1.802 178.310 176.600 -0.154 0.000 1.049 741 K CA 1.817 57.733 56.287 -0.618 0.000 0.927 741 K CB -0.506 31.143 32.500 -1.418 0.000 0.713 741 K HN 0.580 nan 8.250 nan 0.000 0.443 742 F N -0.241 119.570 119.950 -0.232 0.000 2.065 742 F HA -0.272 4.256 4.527 0.001 0.000 0.298 742 F C 2.348 178.021 175.800 -0.210 0.000 1.112 742 F CA 0.875 58.736 58.000 -0.231 0.000 1.212 742 F CB -0.399 38.395 39.000 -0.343 0.000 0.975 742 F HN 0.145 nan 8.300 nan 0.000 0.476 743 W N -0.001 121.344 121.300 0.075 0.000 2.318 743 W HA -0.255 4.406 4.660 0.001 0.000 0.313 743 W C 2.309 178.828 176.519 0.000 0.000 1.221 743 W CA 0.762 58.110 57.345 0.006 0.000 1.266 743 W CB -0.840 28.595 29.460 -0.042 0.000 1.150 743 W HN 0.010 nan 8.180 nan 0.000 0.496 744 L N 0.930 122.310 121.223 0.262 0.000 2.129 744 L HA -0.070 4.270 4.340 0.001 0.000 0.212 744 L C 2.184 179.134 176.870 0.134 0.000 1.087 744 L CA 2.487 57.460 54.840 0.222 0.000 0.757 744 L CB -1.341 40.949 42.059 0.385 0.000 0.896 744 L HN 0.004 nan 8.230 nan 0.000 0.434 745 G N -1.389 107.519 108.800 0.180 0.000 2.414 745 G HA2 -0.218 3.743 3.960 0.001 0.000 0.215 745 G HA3 -0.218 3.743 3.960 0.001 0.000 0.215 745 G C 1.638 176.544 174.900 0.009 0.000 1.188 745 G CA 0.817 45.992 45.100 0.126 0.000 0.783 745 G HN 0.302 nan 8.290 nan 0.000 0.537 746 V N 1.490 121.375 119.914 -0.048 0.000 2.380 746 V HA -0.132 3.989 4.120 0.001 0.000 0.251 746 V C 3.158 179.211 176.094 -0.068 0.000 1.063 746 V CA 2.626 64.872 62.300 -0.090 0.000 1.055 746 V CB -0.686 31.039 31.823 -0.163 0.000 0.657 746 V HN 0.458 nan 8.190 nan 0.000 0.455 747 A N -0.634 122.117 122.820 -0.114 0.000 1.845 747 A HA -0.279 4.042 4.320 0.001 0.000 0.215 747 A C 2.247 179.580 177.584 -0.418 0.000 1.195 747 A CA 2.029 53.893 52.037 -0.288 0.000 0.616 747 A CB -0.830 17.887 19.000 -0.471 0.000 0.832 747 A HN 0.703 nan 8.150 nan 0.000 0.443 748 E N 0.045 119.891 120.200 -0.590 0.000 2.049 748 E HA -0.208 4.143 4.350 0.001 0.000 0.198 748 E C 2.189 178.925 176.600 0.226 0.000 1.007 748 E CA 1.699 57.986 56.400 -0.187 0.000 0.809 748 E CB -0.194 29.534 29.700 0.048 0.000 0.749 748 E HN 0.535 nan 8.360 nan 0.000 0.450 749 S N 1.050 116.854 115.700 0.173 0.000 2.378 749 S HA -0.248 4.223 4.470 0.001 0.000 0.229 749 S C 1.686 176.457 174.600 0.285 0.000 1.052 749 S CA 1.966 60.325 58.200 0.266 0.000 1.084 749 S CB -0.617 62.639 63.200 0.094 0.000 0.950 749 S HN 0.369 nan 8.310 nan 0.000 0.440 750 N N 0.544 119.344 118.700 0.166 0.000 2.216 750 N HA 0.044 4.784 4.740 0.001 0.000 0.183 750 N C 1.438 177.139 175.510 0.319 0.000 1.017 750 N CA 0.881 54.024 53.050 0.156 0.000 0.861 750 N CB -0.433 38.052 38.487 -0.003 0.000 0.986 750 N HN 0.430 nan 8.380 nan 0.000 0.428 751 F N 1.554 121.659 119.950 0.258 0.000 2.069 751 F HA -0.257 4.271 4.527 0.001 0.000 0.298 751 F C 2.693 178.741 175.800 0.414 0.000 1.113 751 F CA 1.718 60.007 58.000 0.482 0.000 1.214 751 F CB -0.418 38.941 39.000 0.598 0.000 0.978 751 F HN 0.225 nan 8.300 nan 0.000 0.474 752 H N -0.005 119.380 119.070 0.526 0.000 2.293 752 H HA -0.191 4.366 4.556 0.001 0.000 0.300 752 H C 2.187 177.641 175.328 0.210 0.000 1.082 752 H CA 2.064 58.313 56.048 0.335 0.000 1.308 752 H CB -0.674 29.258 29.762 0.282 0.000 1.375 752 H HN 0.376 nan 8.280 nan 0.000 0.495 753 Q N 0.872 120.761 119.800 0.150 0.000 2.002 753 Q HA -0.095 4.246 4.340 0.001 0.000 0.204 753 Q C 2.862 178.863 176.000 0.002 0.000 0.988 753 Q CA 2.231 58.066 55.803 0.053 0.000 0.843 753 Q CB -0.531 28.336 28.738 0.216 0.000 0.908 753 Q HN 0.593 nan 8.270 nan 0.000 0.420 754 L N -0.065 121.203 121.223 0.074 0.000 2.027 754 L HA -0.097 4.244 4.340 0.001 0.000 0.206 754 L C 2.297 179.124 176.870 -0.073 0.000 1.074 754 L CA 1.371 56.242 54.840 0.050 0.000 0.745 754 L CB -0.632 41.565 42.059 0.230 0.000 0.898 754 L HN 0.312 nan 8.230 nan 0.000 0.433 755 N N 0.062 118.676 118.700 -0.142 0.000 2.187 755 N HA -0.145 4.595 4.740 0.001 0.000 0.190 755 N C 1.814 177.185 175.510 -0.232 0.000 1.052 755 N CA 2.065 54.926 53.050 -0.315 0.000 0.863 755 N CB -0.312 37.784 38.487 -0.652 0.000 1.041 755 N HN 0.235 nan 8.380 nan 0.000 0.447 756 T N -2.343 112.071 114.554 -0.234 0.000 3.098 756 T HA -0.063 4.288 4.350 0.001 0.000 0.266 756 T C 1.491 176.191 174.700 -0.001 0.000 1.145 756 T CA 1.049 63.100 62.100 -0.082 0.000 1.092 756 T CB -0.397 68.496 68.868 0.042 0.000 0.908 756 T HN 0.435 nan 8.240 nan 0.000 0.526 757 H N -0.529 118.438 119.070 -0.172 0.000 2.570 757 H HA 0.253 4.809 4.556 0.001 0.000 0.268 757 H C 1.681 177.064 175.328 0.092 0.000 1.175 757 H CA -0.262 55.739 56.048 -0.078 0.000 1.686 757 H CB 0.010 29.632 29.762 -0.233 0.000 1.456 757 H HN 0.115 nan 8.280 nan 0.000 0.592 758 L N 1.075 122.116 121.223 -0.303 0.000 1.997 758 L HA -0.211 4.129 4.340 0.001 0.000 0.216 758 L C 2.673 179.489 176.870 -0.089 0.000 1.074 758 L CA 1.411 56.059 54.840 -0.320 0.000 0.763 758 L CB -0.903 40.982 42.059 -0.291 0.000 0.890 758 L HN 0.394 nan 8.230 nan 0.000 0.434 759 L N -0.657 120.515 121.223 -0.086 0.000 2.022 759 L HA -0.084 4.257 4.340 0.001 0.000 0.204 759 L C 2.559 179.431 176.870 0.004 0.000 1.076 759 L CA 1.542 56.333 54.840 -0.081 0.000 0.749 759 L CB -0.552 41.422 42.059 -0.142 0.000 0.903 759 L HN 0.102 nan 8.230 nan 0.000 0.439 760 R N -1.031 119.486 120.500 0.029 0.000 2.341 760 R HA -0.072 4.268 4.340 0.001 0.000 0.213 760 R C 1.573 178.052 176.300 0.298 0.000 1.082 760 R CA 1.350 57.531 56.100 0.135 0.000 1.017 760 R CB -0.393 29.913 30.300 0.010 0.000 0.860 760 R HN 0.719 nan 8.270 nan 0.000 0.473 761 T N -4.279 110.428 114.554 0.255 0.000 3.174 761 T HA 0.102 4.452 4.350 0.001 0.000 0.252 761 T C 1.537 176.338 174.700 0.168 0.000 0.984 761 T CA -0.232 62.028 62.100 0.267 0.000 1.113 761 T CB -0.029 69.062 68.868 0.370 0.000 1.088 761 T HN 0.073 nan 8.240 nan 0.000 0.442 762 H N 1.470 120.622 119.070 0.136 0.000 2.501 762 H HA 0.309 4.866 4.556 0.001 0.000 0.317 762 H C 2.373 177.744 175.328 0.072 0.000 1.057 762 H CA 1.224 57.321 56.048 0.081 0.000 1.371 762 H CB -0.512 29.235 29.762 -0.024 0.000 1.501 762 H HN 0.106 nan 8.280 nan 0.000 0.620 763 L N 0.661 121.984 121.223 0.166 0.000 2.058 763 L HA -0.310 4.031 4.340 0.001 0.000 0.226 763 L C 2.877 179.771 176.870 0.040 0.000 1.089 763 L CA 2.379 57.242 54.840 0.038 0.000 0.799 763 L CB -1.163 40.846 42.059 -0.083 0.000 0.900 763 L HN 0.540 nan 8.230 nan 0.000 0.442 764 T N -3.897 110.673 114.554 0.027 0.000 2.701 764 T HA -0.202 4.149 4.350 0.001 0.000 0.263 764 T C 1.814 176.778 174.700 0.440 0.000 1.040 764 T CA 1.673 63.812 62.100 0.065 0.000 1.147 764 T CB -1.125 67.684 68.868 -0.098 0.000 0.865 764 T HN 0.511 nan 8.240 nan 0.000 0.426 765 T N -0.115 114.614 114.554 0.292 0.000 3.051 765 T HA -0.024 4.326 4.350 0.001 0.000 0.269 765 T C 1.758 176.692 174.700 0.390 0.000 1.127 765 T CA 1.300 63.519 62.100 0.198 0.000 1.107 765 T CB -0.563 68.115 68.868 -0.317 0.000 0.898 765 T HN 0.641 nan 8.240 nan 0.000 0.517 766 E N 1.083 121.504 120.200 0.368 0.000 2.051 766 E HA -0.150 4.201 4.350 0.001 0.000 0.192 766 E C 2.288 179.104 176.600 0.360 0.000 0.991 766 E CA 1.362 57.965 56.400 0.339 0.000 0.799 766 E CB -0.303 29.526 29.700 0.214 0.000 0.748 766 E HN 0.616 nan 8.360 nan 0.000 0.449 767 S N 0.278 116.243 115.700 0.442 0.000 2.368 767 S HA -0.210 4.261 4.470 0.001 0.000 0.226 767 S C 1.618 176.407 174.600 0.315 0.000 1.044 767 S CA 1.615 60.132 58.200 0.528 0.000 1.062 767 S CB -0.584 62.989 63.200 0.622 0.000 0.931 767 S HN 0.291 nan 8.310 nan 0.000 0.440 768 F N 1.761 121.792 119.950 0.135 0.000 2.126 768 F HA -0.154 4.374 4.527 0.001 0.000 0.299 768 F C 2.600 178.519 175.800 0.200 0.000 1.096 768 F CA 0.981 58.965 58.000 -0.026 0.000 1.255 768 F CB -0.818 38.132 39.000 -0.084 0.000 0.997 768 F HN 0.198 nan 8.300 nan 0.000 0.479 769 A N -0.522 122.619 122.820 0.535 0.000 1.972 769 A HA -0.160 4.161 4.320 0.001 0.000 0.219 769 A C 2.080 179.880 177.584 0.360 0.000 1.169 769 A CA 1.532 53.852 52.037 0.472 0.000 0.635 769 A CB -0.966 18.302 19.000 0.447 0.000 0.810 769 A HN 0.379 nan 8.150 nan 0.000 0.446 770 L N -0.601 120.734 121.223 0.186 0.000 2.109 770 L HA -0.025 4.316 4.340 0.001 0.000 0.207 770 L C 2.567 179.409 176.870 -0.047 0.000 1.086 770 L CA 2.257 57.098 54.840 0.003 0.000 0.760 770 L CB -0.530 41.267 42.059 -0.437 0.000 0.910 770 L HN 0.318 nan 8.230 nan 0.000 0.437 771 S N -1.591 114.075 115.700 -0.056 0.000 2.399 771 S HA -0.193 4.277 4.470 0.001 0.000 0.231 771 S C 1.869 176.670 174.600 0.335 0.000 1.022 771 S CA 1.805 60.006 58.200 0.002 0.000 0.983 771 S CB -0.418 62.598 63.200 -0.306 0.000 0.803 771 S HN 0.656 nan 8.310 nan 0.000 0.480 772 T N 0.160 115.015 114.554 0.503 0.000 2.708 772 T HA -0.093 4.258 4.350 0.001 0.000 0.266 772 T C 1.163 175.969 174.700 0.176 0.000 1.037 772 T CA 1.552 63.951 62.100 0.498 0.000 1.146 772 T CB -0.428 68.636 68.868 0.326 0.000 0.865 772 T HN 0.641 nan 8.240 nan 0.000 0.435 773 W N 1.516 122.852 121.300 0.060 0.000 2.418 773 W HA 0.099 4.760 4.660 0.001 0.000 0.292 773 W C 2.615 178.964 176.519 -0.283 0.000 1.213 773 W CA 0.231 57.444 57.345 -0.221 0.000 1.283 773 W CB -0.103 28.857 29.460 -0.833 0.000 1.119 773 W HN 0.092 nan 8.180 nan 0.000 0.542 774 R N -0.166 120.369 120.500 0.058 0.000 2.115 774 R HA -0.047 4.293 4.340 0.001 0.000 0.226 774 R C 1.341 177.700 176.300 0.097 0.000 1.100 774 R CA 1.179 57.306 56.100 0.045 0.000 0.980 774 R CB -0.303 30.007 30.300 0.017 0.000 0.875 774 R HN 0.240 nan 8.270 nan 0.000 0.445 775 N N -0.495 118.304 118.700 0.164 0.000 2.317 775 N HA 0.120 4.861 4.740 0.001 0.000 0.199 775 N C 0.064 175.652 175.510 0.130 0.000 1.145 775 N CA 0.178 53.340 53.050 0.187 0.000 0.882 775 N CB 1.034 39.701 38.487 0.300 0.000 1.113 775 N HN 0.036 nan 8.380 nan 0.000 0.486 776 L N 1.222 122.479 121.223 0.057 0.000 2.325 776 L HA 0.608 4.948 4.340 0.001 0.000 0.279 776 L C 0.178 176.925 176.870 -0.205 0.000 1.054 776 L CA -0.801 54.009 54.840 -0.051 0.000 0.804 776 L CB 1.566 43.511 42.059 -0.191 0.000 1.200 776 L HN -0.082 nan 8.230 nan 0.000 0.436 777 A N 1.468 124.181 122.820 -0.178 0.000 2.303 777 A HA 0.404 4.725 4.320 0.001 0.000 0.317 777 A C 1.118 178.359 177.584 -0.573 0.000 1.149 777 A CA -0.401 51.443 52.037 -0.322 0.000 0.822 777 A CB 1.062 20.003 19.000 -0.099 0.000 1.131 777 A HN 0.819 nan 8.150 nan 0.000 0.493 778 S N 1.080 116.331 115.700 -0.749 0.000 2.434 778 S HA -0.290 4.180 4.470 0.001 0.000 0.243 778 S C 1.927 176.386 174.600 -0.236 0.000 1.045 778 S CA 2.050 59.839 58.200 -0.684 0.000 1.019 778 S CB -0.321 62.664 63.200 -0.359 0.000 0.811 778 S HN 1.056 nan 8.310 nan 0.000 0.485 779 A N 0.319 123.077 122.820 -0.104 0.000 1.975 779 A HA 0.084 4.404 4.320 0.001 0.000 0.215 779 A C 0.867 178.406 177.584 -0.074 0.000 1.170 779 A CA 0.152 52.180 52.037 -0.016 0.000 0.656 779 A CB -0.550 18.494 19.000 0.073 0.000 0.821 779 A HN 0.623 nan 8.150 nan 0.000 0.449 780 H N 0.496 119.453 119.070 -0.190 0.000 3.107 780 H HA 0.094 4.651 4.556 0.001 0.000 0.301 780 H C -1.632 173.517 175.328 -0.298 0.000 0.981 780 H CA -1.355 54.564 56.048 -0.214 0.000 1.443 780 H CB 0.947 30.610 29.762 -0.166 0.000 1.479 780 H HN 0.077 nan 8.280 nan 0.000 0.564 781 P HA -0.285 nan 4.420 nan 0.000 0.217 781 P C 1.347 178.481 177.300 -0.277 0.000 1.158 781 P CA 1.302 64.141 63.100 -0.435 0.000 0.887 781 P CB 0.189 31.390 31.700 -0.831 0.000 0.792 782 V N -1.457 118.361 119.914 -0.161 0.000 2.427 782 V HA -0.220 3.901 4.120 0.001 0.000 0.248 782 V C 2.167 177.970 176.094 -0.484 0.000 1.051 782 V CA 1.588 63.664 62.300 -0.373 0.000 1.048 782 V CB -1.426 30.038 31.823 -0.598 0.000 0.666 782 V HN 0.022 nan 8.190 nan 0.000 0.456 783 F N 1.630 121.216 119.950 -0.607 0.000 2.126 783 F HA -0.193 4.334 4.527 0.001 0.000 0.299 783 F C 2.338 177.794 175.800 -0.575 0.000 1.096 783 F CA 1.809 59.467 58.000 -0.570 0.000 1.255 783 F CB -0.228 38.477 39.000 -0.492 0.000 0.997 783 F HN 0.027 nan 8.300 nan 0.000 0.479 784 K N -0.193 119.825 120.400 -0.637 0.000 2.211 784 K HA -0.127 4.193 4.320 0.001 0.000 0.203 784 K C 1.902 177.904 176.600 -0.997 0.000 1.050 784 K CA 1.349 57.017 56.287 -1.031 0.000 0.945 784 K CB -0.403 31.139 32.500 -1.597 0.000 0.732 784 K HN 0.340 nan 8.250 nan 0.000 0.451 785 L N 0.760 121.652 121.223 -0.553 0.000 2.162 785 L HA -0.009 4.331 4.340 0.001 0.000 0.205 785 L C 1.745 178.557 176.870 -0.097 0.000 1.086 785 L CA 1.257 56.056 54.840 -0.068 0.000 0.778 785 L CB -0.014 42.100 42.059 0.093 0.000 0.928 785 L HN 0.041 nan 8.230 nan 0.000 0.446 786 L N -0.989 120.071 121.223 -0.273 0.000 2.127 786 L HA -0.080 4.261 4.340 0.001 0.000 0.203 786 L C 2.537 179.253 176.870 -0.257 0.000 1.080 786 L CA 1.099 55.838 54.840 -0.169 0.000 0.768 786 L CB -0.657 41.271 42.059 -0.217 0.000 0.924 786 L HN 0.416 nan 8.230 nan 0.000 0.444 787 Q N 1.238 120.674 119.800 -0.608 0.000 2.146 787 Q HA -0.252 4.089 4.340 0.001 0.000 0.217 787 Q C -0.802 175.014 176.000 -0.307 0.000 1.023 787 Q CA 2.815 58.240 55.803 -0.630 0.000 0.903 787 Q CB -1.027 27.209 28.738 -0.836 0.000 0.990 787 Q HN 0.310 nan 8.270 nan 0.000 0.413 788 P HA -0.109 nan 4.420 nan 0.000 0.242 788 P C 0.157 177.265 177.300 -0.320 0.000 1.197 788 P CA 1.248 64.209 63.100 -0.232 0.000 0.765 788 P CB 0.040 31.635 31.700 -0.174 0.000 0.936 789 H N -0.611 118.410 119.070 -0.081 0.000 2.800 789 H HA 0.212 4.769 4.556 0.001 0.000 0.257 789 H C 1.966 176.954 175.328 -0.567 0.000 0.967 789 H CA 0.356 56.322 56.048 -0.136 0.000 1.192 789 H CB 0.430 30.222 29.762 0.050 0.000 1.441 789 H HN 0.196 nan 8.280 nan 0.000 0.461 790 I N -1.574 118.755 120.570 -0.401 0.000 3.428 790 I HA 0.023 4.194 4.170 0.001 0.000 0.286 790 I C 0.683 176.668 176.117 -0.221 0.000 1.287 790 I CA -0.055 60.881 61.300 -0.606 0.000 1.396 790 I CB -0.396 37.498 38.000 -0.177 0.000 1.062 790 I HN -0.136 nan 8.210 nan 0.000 0.471 791 Y N 3.214 123.408 120.300 -0.177 0.000 2.497 791 Y HA 0.408 4.959 4.550 0.001 0.000 0.334 791 Y C 1.385 177.282 175.900 -0.005 0.000 1.199 791 Y CA 0.810 58.904 58.100 -0.011 0.000 1.425 791 Y CB 0.793 39.267 38.460 0.025 0.000 1.291 791 Y HN 0.385 nan 8.280 nan 0.000 0.562 792 G N 2.701 111.027 108.800 -0.791 0.000 2.268 792 G HA2 -0.324 3.636 3.960 0.001 0.000 0.240 792 G HA3 -0.324 3.636 3.960 0.001 0.000 0.240 792 G C 0.803 175.555 174.900 -0.247 0.000 1.010 792 G CA 0.410 45.194 45.100 -0.526 0.000 0.618 792 G HN 0.730 nan 8.290 nan 0.000 0.516 793 V N 1.837 121.655 119.914 -0.161 0.000 2.229 793 V HA -0.068 4.053 4.120 0.001 0.000 0.243 793 V C 2.900 178.965 176.094 -0.049 0.000 1.042 793 V CA 2.315 64.597 62.300 -0.030 0.000 1.000 793 V CB -1.012 30.866 31.823 0.091 0.000 0.637 793 V HN 0.426 nan 8.190 nan 0.000 0.446 794 L N 0.360 121.558 121.223 -0.042 0.000 2.010 794 L HA -0.315 4.025 4.340 0.001 0.000 0.219 794 L C 2.765 179.527 176.870 -0.180 0.000 1.077 794 L CA 2.117 56.913 54.840 -0.073 0.000 0.773 794 L CB -0.998 41.034 42.059 -0.045 0.000 0.892 794 L HN 0.421 nan 8.230 nan 0.000 0.436 795 A N -0.178 122.475 122.820 -0.279 0.000 1.835 795 A HA -0.223 4.097 4.320 0.001 0.000 0.215 795 A C 2.237 179.520 177.584 -0.502 0.000 1.199 795 A CA 1.756 53.544 52.037 -0.415 0.000 0.615 795 A CB -0.782 17.857 19.000 -0.602 0.000 0.838 795 A HN 0.314 nan 8.150 nan 0.000 0.444 796 I N 0.369 120.588 120.570 -0.586 0.000 2.335 796 I HA -0.195 3.976 4.170 0.001 0.000 0.251 796 I C 1.390 177.365 176.117 -0.237 0.000 1.129 796 I CA 1.765 62.802 61.300 -0.437 0.000 1.402 796 I CB -1.137 36.767 38.000 -0.161 0.000 1.069 796 I HN 0.302 nan 8.210 nan 0.000 0.424 797 D N -0.261 120.051 120.400 -0.147 0.000 2.149 797 D HA -0.100 4.541 4.640 0.001 0.000 0.201 797 D C 2.104 178.324 176.300 -0.133 0.000 0.972 797 D CA 1.281 55.217 54.000 -0.106 0.000 0.835 797 D CB -0.109 40.674 40.800 -0.029 0.000 0.966 797 D HN 0.261 nan 8.370 nan 0.000 0.476 798 T N 1.404 115.865 114.554 -0.155 0.000 2.569 798 T HA -0.144 4.206 4.350 0.001 0.000 0.263 798 T C 2.231 176.847 174.700 -0.141 0.000 1.074 798 T CA 0.961 62.976 62.100 -0.141 0.000 1.176 798 T CB -0.529 68.244 68.868 -0.158 0.000 0.863 798 T HN 0.131 nan 8.240 nan 0.000 0.410 799 I N 1.529 121.983 120.570 -0.193 0.000 2.143 799 I HA -0.243 3.928 4.170 0.001 0.000 0.245 799 I C 2.912 178.934 176.117 -0.158 0.000 1.068 799 I CA 1.639 62.808 61.300 -0.218 0.000 1.326 799 I CB -0.998 36.749 38.000 -0.422 0.000 1.028 799 I HN 0.387 nan 8.210 nan 0.000 0.412 800 G N 0.540 109.240 108.800 -0.166 0.000 2.440 800 G HA2 -0.242 3.718 3.960 0.001 0.000 0.218 800 G HA3 -0.242 3.718 3.960 0.001 0.000 0.218 800 G C 1.772 176.623 174.900 -0.082 0.000 1.154 800 G CA 0.565 45.592 45.100 -0.121 0.000 0.767 800 G HN 0.334 nan 8.290 nan 0.000 0.552 801 R N 0.649 121.101 120.500 -0.081 0.000 2.159 801 R HA 0.006 4.347 4.340 0.001 0.000 0.237 801 R C 2.892 179.175 176.300 -0.029 0.000 1.131 801 R CA 1.674 57.743 56.100 -0.052 0.000 0.982 801 R CB -0.227 30.040 30.300 -0.055 0.000 0.868 801 R HN 0.488 nan 8.270 nan 0.000 0.453 802 K N 1.490 121.868 120.400 -0.036 0.000 2.079 802 K HA -0.050 4.271 4.320 0.001 0.000 0.214 802 K C 1.781 178.380 176.600 -0.000 0.000 1.024 802 K CA 0.997 57.274 56.287 -0.016 0.000 0.948 802 K CB -0.863 31.625 32.500 -0.021 0.000 0.830 802 K HN 0.211 nan 8.250 nan 0.000 0.452 803 E N 0.886 121.089 120.200 0.006 0.000 2.114 803 E HA -0.179 4.171 4.350 0.001 0.000 0.199 803 E C 2.122 178.746 176.600 0.039 0.000 1.008 803 E CA 1.329 57.756 56.400 0.044 0.000 0.810 803 E CB -0.291 29.474 29.700 0.108 0.000 0.739 803 E HN 0.315 nan 8.360 nan 0.000 0.456 804 L N 0.523 121.753 121.223 0.012 0.000 2.004 804 L HA -0.010 4.331 4.340 0.001 0.000 0.205 804 L C 2.608 179.467 176.870 -0.018 0.000 1.089 804 L CA 1.249 56.086 54.840 -0.004 0.000 0.756 804 L CB -0.729 41.301 42.059 -0.048 0.000 0.900 804 L HN 0.193 nan 8.230 nan 0.000 0.440 805 I N -2.886 117.678 120.570 -0.009 0.000 3.883 805 I HA 0.274 4.444 4.170 0.001 0.000 0.326 805 I C 1.163 177.353 176.117 0.121 0.000 1.283 805 I CA -0.213 61.115 61.300 0.046 0.000 1.161 805 I CB -0.552 37.498 38.000 0.084 0.000 1.012 805 I HN 0.056 nan 8.210 nan 0.000 0.421 806 G N 1.048 109.882 108.800 0.058 0.000 2.611 806 G HA2 0.183 4.143 3.960 0.001 0.000 0.273 806 G HA3 0.183 4.143 3.960 0.001 0.000 0.273 806 G C -0.266 174.678 174.900 0.073 0.000 1.305 806 G CA -0.246 44.892 45.100 0.064 0.000 1.010 806 G HN 0.262 nan 8.290 nan 0.000 0.509 807 S N -1.476 114.261 115.700 0.062 0.000 2.572 807 S HA 0.406 4.877 4.470 0.001 0.000 0.279 807 S C 1.655 176.272 174.600 0.028 0.000 1.341 807 S CA 0.962 59.195 58.200 0.055 0.000 1.043 807 S CB 0.191 63.419 63.200 0.046 0.000 0.887 807 S HN 2.165 nan 8.310 nan 0.000 0.516 808 G N 2.778 111.590 108.800 0.019 0.000 2.200 808 G HA2 -0.216 3.745 3.960 0.001 0.000 0.268 808 G HA3 -0.216 3.745 3.960 0.001 0.000 0.268 808 G C 0.554 175.460 174.900 0.009 0.000 0.986 808 G CA 0.416 45.525 45.100 0.014 0.000 0.677 808 G HN 1.264 nan 8.290 nan 0.000 0.532 809 G N -0.093 108.707 108.800 -0.000 0.000 2.491 809 G HA2 0.512 4.473 3.960 0.001 0.000 0.242 809 G HA3 0.512 4.473 3.960 0.001 0.000 0.242 809 G C 1.237 176.131 174.900 -0.010 0.000 1.266 809 G CA -0.062 45.038 45.100 0.000 0.000 0.844 809 G HN 0.830 nan 8.290 nan 0.000 0.571 810 I N 1.763 122.340 120.570 0.012 0.000 2.381 810 I HA -0.188 3.982 4.170 0.001 0.000 0.255 810 I C 2.137 178.248 176.117 -0.009 0.000 1.140 810 I CA 0.813 62.125 61.300 0.020 0.000 1.404 810 I CB -1.091 36.935 38.000 0.043 0.000 1.075 810 I HN 0.235 nan 8.210 nan 0.000 0.433 811 V N 1.235 121.126 119.914 -0.038 0.000 2.300 811 V HA -0.204 3.917 4.120 0.001 0.000 0.241 811 V C 2.468 178.472 176.094 -0.150 0.000 1.034 811 V CA 1.950 64.204 62.300 -0.076 0.000 1.021 811 V CB -0.811 30.965 31.823 -0.078 0.000 0.662 811 V HN 0.556 nan 8.190 nan 0.000 0.458 812 D N 1.313 121.578 120.400 -0.225 0.000 2.191 812 D HA -0.288 4.352 4.640 0.001 0.000 0.190 812 D C 1.514 177.710 176.300 -0.173 0.000 1.007 812 D CA 2.233 56.035 54.000 -0.330 0.000 0.865 812 D CB -0.017 40.656 40.800 -0.212 0.000 0.929 812 D HN 0.729 nan 8.370 nan 0.000 0.447 813 Q N -0.346 119.401 119.800 -0.088 0.000 2.526 813 Q HA 0.324 4.664 4.340 0.001 0.000 0.353 813 Q C 0.621 176.595 176.000 -0.043 0.000 0.977 813 Q CA -0.266 55.511 55.803 -0.042 0.000 1.027 813 Q CB 1.028 29.767 28.738 0.003 0.000 1.272 813 Q HN 0.002 nan 8.270 nan 0.000 0.420 814 S N -0.365 115.290 115.700 -0.075 0.000 3.084 814 S HA 0.243 4.713 4.470 0.001 0.000 0.262 814 S C 0.104 174.639 174.600 -0.108 0.000 1.081 814 S CA -0.250 57.898 58.200 -0.085 0.000 0.855 814 S CB 0.441 63.593 63.200 -0.080 0.000 0.857 814 S HN 0.316 nan 8.310 nan 0.000 0.449 815 L N 2.069 123.229 121.223 -0.104 0.000 2.431 815 L HA 0.579 4.920 4.340 0.001 0.000 0.260 815 L C 1.339 178.165 176.870 -0.073 0.000 1.098 815 L CA 0.127 54.912 54.840 -0.093 0.000 0.800 815 L CB 0.444 42.464 42.059 -0.066 0.000 1.210 815 L HN 0.162 nan 8.230 nan 0.000 0.465 816 S N 0.427 116.091 115.700 -0.060 0.000 2.561 816 S HA 0.158 4.628 4.470 0.001 0.000 0.225 816 S C 1.354 175.938 174.600 -0.028 0.000 0.977 816 S CA 0.312 58.490 58.200 -0.038 0.000 0.926 816 S CB -0.056 63.133 63.200 -0.019 0.000 0.769 816 S HN 0.413 nan 8.310 nan 0.000 0.533 817 L N 0.678 121.888 121.223 -0.021 0.000 2.818 817 L HA 0.280 4.621 4.340 0.001 0.000 0.243 817 L C 1.991 178.917 176.870 0.094 0.000 1.185 817 L CA -0.108 54.750 54.840 0.030 0.000 0.988 817 L CB -0.280 41.796 42.059 0.029 0.000 1.292 817 L HN 0.295 nan 8.230 nan 0.000 0.519 818 G N 0.157 108.947 108.800 -0.017 0.000 2.559 818 G HA2 -0.130 3.830 3.960 0.001 0.000 0.216 818 G HA3 -0.130 3.830 3.960 0.001 0.000 0.216 818 G C 1.483 176.393 174.900 0.016 0.000 1.126 818 G CA 0.666 45.690 45.100 -0.126 0.000 0.778 818 G HN 0.476 nan 8.290 nan 0.000 0.543 819 G N -0.015 108.843 108.800 0.095 0.000 2.432 819 G HA2 0.274 4.234 3.960 0.001 0.000 0.219 819 G HA3 0.274 4.234 3.960 0.001 0.000 0.219 819 G C 1.190 176.204 174.900 0.190 0.000 1.135 819 G CA 1.119 46.281 45.100 0.103 0.000 0.767 819 G HN 1.258 nan 8.290 nan 0.000 0.550 820 G N -1.800 107.195 108.800 0.325 0.000 3.578 820 G HA2 0.035 3.995 3.960 0.001 0.000 0.220 820 G HA3 0.035 3.995 3.960 0.001 0.000 0.220 820 G C 1.290 176.166 174.900 -0.039 0.000 0.933 820 G CA 0.469 45.636 45.100 0.113 0.000 0.847 820 G HN 0.780 nan 8.290 nan 0.000 0.612 821 G N 1.232 110.103 108.800 0.118 0.000 2.479 821 G HA2 -0.146 3.814 3.960 0.001 0.000 0.220 821 G HA3 -0.146 3.814 3.960 0.001 0.000 0.220 821 G C 1.522 176.497 174.900 0.126 0.000 1.115 821 G CA 1.948 47.098 45.100 0.084 0.000 0.757 821 G HN 0.814 nan 8.290 nan 0.000 0.560 822 H N 0.647 119.770 119.070 0.088 0.000 2.387 822 H HA -0.085 4.472 4.556 0.001 0.000 0.299 822 H C 2.544 177.949 175.328 0.128 0.000 1.090 822 H CA 1.696 57.827 56.048 0.139 0.000 1.332 822 H CB -1.172 28.638 29.762 0.080 0.000 1.386 822 H HN 0.373 nan 8.280 nan 0.000 0.516 823 V N 1.103 120.664 119.914 -0.588 0.000 2.307 823 V HA -0.196 3.924 4.120 0.001 0.000 0.245 823 V C 2.569 178.586 176.094 -0.128 0.000 1.045 823 V CA 2.530 64.609 62.300 -0.368 0.000 1.024 823 V CB -1.300 30.281 31.823 -0.404 0.000 0.651 823 V HN 0.562 nan 8.190 nan 0.000 0.449 824 T N -0.984 113.529 114.554 -0.069 0.000 2.708 824 T HA -0.196 4.155 4.350 0.001 0.000 0.266 824 T C 1.836 176.581 174.700 0.076 0.000 1.037 824 T CA 1.764 63.870 62.100 0.011 0.000 1.146 824 T CB -0.915 67.973 68.868 0.034 0.000 0.865 824 T HN 0.517 nan 8.240 nan 0.000 0.435 825 F N 2.122 122.063 119.950 -0.015 0.000 2.154 825 F HA -0.039 4.489 4.527 0.001 0.000 0.301 825 F C 2.241 178.041 175.800 -0.000 0.000 1.087 825 F CA 0.892 58.902 58.000 0.016 0.000 1.274 825 F CB -0.577 38.449 39.000 0.044 0.000 1.009 825 F HN 0.018 nan 8.300 nan 0.000 0.485 826 M N -0.000 119.508 119.600 -0.152 0.000 2.159 826 M HA -0.197 4.284 4.480 0.001 0.000 0.263 826 M C 2.009 178.181 176.300 -0.213 0.000 1.063 826 M CA 1.756 56.899 55.300 -0.261 0.000 1.110 826 M CB -0.808 31.710 32.600 -0.136 0.000 1.374 826 M HN 0.260 nan 8.290 nan 0.000 0.411 827 E N 0.151 120.281 120.200 -0.117 0.000 2.110 827 E HA -0.206 4.145 4.350 0.001 0.000 0.193 827 E C 1.988 178.548 176.600 -0.066 0.000 0.988 827 E CA 0.956 57.329 56.400 -0.046 0.000 0.804 827 E CB -0.219 29.481 29.700 -0.001 0.000 0.745 827 E HN 0.484 nan 8.360 nan 0.000 0.458 828 K N 0.975 121.313 120.400 -0.104 0.000 2.002 828 K HA -0.152 4.168 4.320 0.001 0.000 0.209 828 K C 2.297 178.799 176.600 -0.164 0.000 1.048 828 K CA 1.644 57.876 56.287 -0.092 0.000 0.930 828 K CB -0.170 32.315 32.500 -0.025 0.000 0.714 828 K HN 0.133 nan 8.250 nan 0.000 0.438 829 C N 0.437 119.548 119.300 -0.315 0.000 2.398 829 C HA -0.157 4.304 4.460 0.001 0.000 0.276 829 C C 2.467 177.354 174.990 -0.172 0.000 1.222 829 C CA 0.632 59.471 59.018 -0.298 0.000 1.746 829 C CB -1.143 26.300 27.740 -0.495 0.000 2.039 829 C HN 0.569 nan 8.230 nan 0.000 0.470 830 F N 2.058 121.819 119.950 -0.315 0.000 2.186 830 F HA -0.077 4.451 4.527 0.001 0.000 0.299 830 F C 2.222 177.845 175.800 -0.296 0.000 1.090 830 F CA 1.490 59.287 58.000 -0.338 0.000 1.307 830 F CB -0.574 38.194 39.000 -0.386 0.000 1.019 830 F HN 0.152 nan 8.300 nan 0.000 0.489 831 K N 0.066 120.202 120.400 -0.439 0.000 2.442 831 K HA -0.191 4.130 4.320 0.001 0.000 0.200 831 K C 1.117 177.552 176.600 -0.274 0.000 1.045 831 K CA 1.642 57.610 56.287 -0.532 0.000 0.937 831 K CB -0.237 32.114 32.500 -0.249 0.000 0.757 831 K HN 0.484 nan 8.250 nan 0.000 0.474 832 E N 0.072 120.142 120.200 -0.217 0.000 2.562 832 E HA 0.043 4.394 4.350 0.001 0.000 0.214 832 E C -0.351 176.203 176.600 -0.076 0.000 0.979 832 E CA -0.233 56.095 56.400 -0.121 0.000 1.002 832 E CB 1.150 30.808 29.700 -0.071 0.000 1.048 832 E HN -0.062 nan 8.360 nan 0.000 0.488 833 V N 1.490 121.325 119.914 -0.132 0.000 2.811 833 V HA 0.174 4.294 4.120 0.001 0.000 0.302 833 V C -0.567 175.616 176.094 0.148 0.000 1.063 833 V CA 0.217 62.483 62.300 -0.055 0.000 1.088 833 V CB 1.096 32.813 31.823 -0.176 0.000 0.982 833 V HN 0.222 nan 8.190 nan 0.000 0.485 834 N N 3.492 122.341 118.700 0.249 0.000 2.264 834 N HA 0.328 5.068 4.740 0.001 0.000 0.288 834 N C 0.151 176.022 175.510 0.601 0.000 1.094 834 N CA -0.789 52.500 53.050 0.398 0.000 0.817 834 N CB 1.492 40.116 38.487 0.229 0.000 1.604 834 N HN 0.587 nan 8.380 nan 0.000 0.473 835 L N 2.759 124.424 121.223 0.737 0.000 2.261 835 L HA -0.068 4.273 4.340 0.001 0.000 0.216 835 L C 1.473 178.667 176.870 0.541 0.000 1.114 835 L CA 1.892 57.157 54.840 0.709 0.000 0.777 835 L CB -0.539 41.746 42.059 0.377 0.000 0.910 835 L HN 0.744 nan 8.230 nan 0.000 0.440 836 Q N -1.003 119.019 119.800 0.370 0.000 2.488 836 Q HA -0.129 4.212 4.340 0.001 0.000 0.211 836 Q C 1.232 177.362 176.000 0.217 0.000 0.967 836 Q CA 0.985 56.942 55.803 0.257 0.000 0.926 836 Q CB -0.009 28.824 28.738 0.159 0.000 0.992 836 Q HN 0.585 nan 8.270 nan 0.000 0.506 837 D N -0.335 120.201 120.400 0.226 0.000 2.194 837 D HA -0.103 4.538 4.640 0.001 0.000 0.204 837 D C 0.843 177.144 176.300 0.002 0.000 0.964 837 D CA 0.937 54.961 54.000 0.041 0.000 0.846 837 D CB 0.003 40.736 40.800 -0.111 0.000 0.962 837 D HN 0.360 nan 8.370 nan 0.000 0.490 838 Y N 0.044 120.484 120.300 0.234 0.000 2.578 838 Y HA 0.001 4.552 4.550 0.001 0.000 0.297 838 Y C 0.738 176.785 175.900 0.245 0.000 1.176 838 Y CA 0.210 58.465 58.100 0.258 0.000 1.315 838 Y CB -0.713 37.901 38.460 0.257 0.000 1.031 838 Y HN 0.048 nan 8.280 nan 0.000 0.524 839 H N 0.537 119.685 119.070 0.130 0.000 2.787 839 H HA 0.156 4.713 4.556 0.001 0.000 0.275 839 H C 1.212 176.234 175.328 -0.511 0.000 1.183 839 H CA -0.597 55.339 56.048 -0.187 0.000 1.290 839 H CB 0.472 30.206 29.762 -0.046 0.000 1.438 839 H HN 0.198 nan 8.280 nan 0.000 0.487 840 L N 7.118 127.864 121.223 -0.795 0.000 1.978 840 L HA -0.100 4.241 4.340 0.001 0.000 0.218 840 L C -0.973 175.636 176.870 -0.434 0.000 1.075 840 L CA 1.886 56.365 54.840 -0.601 0.000 0.767 840 L CB -0.924 40.596 42.059 -0.897 0.000 0.890 840 L HN 0.594 nan 8.230 nan 0.000 0.434 841 P HA -0.180 nan 4.420 nan 0.000 0.215 841 P C 1.084 178.291 177.300 -0.155 0.000 1.163 841 P CA 2.202 65.126 63.100 -0.294 0.000 0.894 841 P CB -0.214 31.341 31.700 -0.242 0.000 0.791 842 N N -0.907 117.676 118.700 -0.195 0.000 2.039 842 N HA -0.163 4.577 4.740 0.001 0.000 0.193 842 N C 1.828 177.271 175.510 -0.113 0.000 1.044 842 N CA 1.074 53.965 53.050 -0.265 0.000 0.847 842 N CB -0.603 37.600 38.487 -0.473 0.000 1.030 842 N HN -0.003 nan 8.380 nan 0.000 0.422 843 A N 1.863 124.642 122.820 -0.069 0.000 1.859 843 A HA -0.219 4.102 4.320 0.001 0.000 0.218 843 A C 2.211 179.805 177.584 0.017 0.000 1.209 843 A CA 1.454 53.486 52.037 -0.008 0.000 0.639 843 A CB -1.242 17.770 19.000 0.019 0.000 0.835 843 A HN 0.243 nan 8.150 nan 0.000 0.450 844 L N -0.734 120.498 121.223 0.016 0.000 1.991 844 L HA -0.317 4.023 4.340 0.001 0.000 0.221 844 L C 2.780 179.681 176.870 0.052 0.000 1.079 844 L CA 2.419 57.300 54.840 0.068 0.000 0.778 844 L CB -0.509 41.565 42.059 0.025 0.000 0.893 844 L HN 0.564 nan 8.230 nan 0.000 0.437 845 K N 0.613 121.014 120.400 0.003 0.000 2.032 845 K HA -0.233 4.087 4.320 0.001 0.000 0.209 845 K C 2.195 178.799 176.600 0.007 0.000 1.048 845 K CA 2.050 58.339 56.287 0.002 0.000 0.927 845 K CB -0.110 32.373 32.500 -0.030 0.000 0.712 845 K HN 0.222 nan 8.250 nan 0.000 0.441 846 K N 1.556 121.953 120.400 -0.005 0.000 2.585 846 K HA -0.092 4.229 4.320 0.001 0.000 0.194 846 K C 1.639 178.250 176.600 0.018 0.000 1.037 846 K CA 1.289 57.577 56.287 0.000 0.000 0.964 846 K CB -0.467 32.028 32.500 -0.008 0.000 0.787 846 K HN 0.377 nan 8.250 nan 0.000 0.488 847 R N -1.950 118.573 120.500 0.038 0.000 2.335 847 R HA 0.196 4.536 4.340 0.001 0.000 0.210 847 R C 1.071 177.410 176.300 0.065 0.000 0.892 847 R CA 0.397 56.528 56.100 0.051 0.000 1.048 847 R CB 0.656 31.000 30.300 0.072 0.000 1.067 847 R HN 0.494 nan 8.270 nan 0.000 0.524 848 G N 1.316 110.156 108.800 0.066 0.000 2.160 848 G HA2 -0.225 3.735 3.960 0.001 0.000 0.244 848 G HA3 -0.225 3.735 3.960 0.001 0.000 0.244 848 G C 0.464 175.472 174.900 0.181 0.000 1.022 848 G CA 0.293 45.441 45.100 0.080 0.000 0.741 848 G HN 0.226 nan 8.290 nan 0.000 0.508 849 V N -0.165 119.841 119.914 0.152 0.000 3.528 849 V HA 0.115 4.236 4.120 0.001 0.000 0.294 849 V C 2.037 178.226 176.094 0.159 0.000 1.404 849 V CA 0.944 63.325 62.300 0.136 0.000 1.065 849 V CB 0.784 32.662 31.823 0.091 0.000 0.904 849 V HN 0.450 nan 8.190 nan 0.000 0.435 850 D N 0.975 121.450 120.400 0.125 0.000 2.178 850 D HA -0.141 4.499 4.640 0.001 0.000 0.201 850 D C 0.865 177.213 176.300 0.080 0.000 0.980 850 D CA 0.930 54.985 54.000 0.091 0.000 0.842 850 D CB 0.204 41.036 40.800 0.053 0.000 0.948 850 D HN 0.456 nan 8.370 nan 0.000 0.472 851 D N -0.338 120.114 120.400 0.087 0.000 2.295 851 D HA 0.071 4.711 4.640 0.001 0.000 0.248 851 D C -1.843 174.496 176.300 0.066 0.000 1.154 851 D CA -1.824 52.219 54.000 0.072 0.000 0.857 851 D CB 2.184 43.029 40.800 0.074 0.000 1.117 851 D HN -0.041 nan 8.370 nan 0.000 0.468 852 P HA -0.140 nan 4.420 nan 0.000 0.215 852 P C 1.526 178.842 177.300 0.026 0.000 1.157 852 P CA 1.220 64.339 63.100 0.032 0.000 0.863 852 P CB 0.129 31.849 31.700 0.033 0.000 0.787 853 S N -0.658 115.068 115.700 0.042 0.000 2.382 853 S HA -0.133 4.337 4.470 0.001 0.000 0.228 853 S C 1.788 176.440 174.600 0.086 0.000 1.027 853 S CA 1.081 59.312 58.200 0.051 0.000 0.991 853 S CB -0.815 62.418 63.200 0.056 0.000 0.823 853 S HN 0.065 nan 8.310 nan 0.000 0.469 854 K N 0.367 120.841 120.400 0.123 0.000 2.099 854 K HA 0.301 4.622 4.320 0.001 0.000 0.203 854 K C 0.355 177.048 176.600 0.154 0.000 1.047 854 K CA 0.259 56.688 56.287 0.236 0.000 0.963 854 K CB -0.553 32.101 32.500 0.256 0.000 0.759 854 K HN 0.364 nan 8.250 nan 0.000 0.451 855 L N 4.050 125.296 121.223 0.039 0.000 2.335 855 L HA 0.305 4.645 4.340 0.001 0.000 0.268 855 L C -2.642 174.132 176.870 -0.159 0.000 1.037 855 L CA -2.245 52.471 54.840 -0.207 0.000 0.895 855 L CB 1.189 43.006 42.059 -0.403 0.000 1.266 855 L HN -0.086 nan 8.230 nan 0.000 0.439 856 P HA 0.413 nan 4.420 nan 0.000 0.283 856 P C 0.290 177.463 177.300 -0.210 0.000 1.271 856 P CA -0.125 62.898 63.100 -0.128 0.000 0.841 856 P CB 1.621 33.263 31.700 -0.097 0.000 1.122 857 G N 0.182 108.845 108.800 -0.228 0.000 2.147 857 G HA2 -0.258 3.702 3.960 0.001 0.000 0.244 857 G HA3 -0.258 3.702 3.960 0.001 0.000 0.244 857 G C -0.400 173.940 174.900 -0.933 0.000 1.005 857 G CA -0.274 44.510 45.100 -0.527 0.000 0.713 857 G HN 0.503 nan 8.290 nan 0.000 0.515 858 F N 2.111 121.584 119.950 -0.796 0.000 2.359 858 F HA 0.614 5.142 4.527 0.001 0.000 0.355 858 F C 1.205 176.675 175.800 -0.550 0.000 1.132 858 F CA -2.562 55.049 58.000 -0.648 0.000 1.246 858 F CB -0.234 38.550 39.000 -0.360 0.000 1.569 858 F HN 0.196 nan 8.300 nan 0.000 0.561 859 Y N 2.476 122.618 120.300 -0.263 0.000 2.314 859 Y HA -0.258 4.292 4.550 0.001 0.000 0.293 859 Y C 2.151 177.701 175.900 -0.583 0.000 1.129 859 Y CA 1.190 59.066 58.100 -0.373 0.000 1.201 859 Y CB -0.627 37.649 38.460 -0.306 0.000 0.999 859 Y HN 0.563 nan 8.280 nan 0.000 0.541 860 Y N 1.982 121.735 120.300 -0.913 0.000 2.114 860 Y HA -0.325 4.225 4.550 0.001 0.000 0.282 860 Y C 2.704 178.315 175.900 -0.482 0.000 1.165 860 Y CA 1.903 59.645 58.100 -0.597 0.000 1.148 860 Y CB -0.494 37.682 38.460 -0.473 0.000 0.972 860 Y HN 0.013 nan 8.280 nan 0.000 0.504 861 R N 0.359 120.194 120.500 -1.108 0.000 2.075 861 R HA -0.184 4.156 4.340 0.001 0.000 0.230 861 R C 1.782 177.838 176.300 -0.406 0.000 1.140 861 R CA 2.245 57.837 56.100 -0.847 0.000 0.928 861 R CB -0.677 29.101 30.300 -0.869 0.000 0.834 861 R HN 0.345 nan 8.270 nan 0.000 0.429 862 D N 0.857 121.096 120.400 -0.269 0.000 2.137 862 D HA -0.189 4.452 4.640 0.001 0.000 0.189 862 D C 1.681 177.968 176.300 -0.021 0.000 0.998 862 D CA 1.867 55.823 54.000 -0.074 0.000 0.839 862 D CB -0.797 40.024 40.800 0.036 0.000 0.962 862 D HN 0.348 nan 8.370 nan 0.000 0.446 863 D N -0.228 120.191 120.400 0.031 0.000 2.149 863 D HA -0.070 4.571 4.640 0.001 0.000 0.198 863 D C 2.131 178.492 176.300 0.102 0.000 0.990 863 D CA 1.481 55.557 54.000 0.127 0.000 0.839 863 D CB -0.643 40.343 40.800 0.309 0.000 0.948 863 D HN 0.308 nan 8.370 nan 0.000 0.460 864 G N 0.371 109.146 108.800 -0.042 0.000 2.414 864 G HA2 -0.185 3.775 3.960 0.001 0.000 0.215 864 G HA3 -0.185 3.775 3.960 0.001 0.000 0.215 864 G C 1.667 176.613 174.900 0.077 0.000 1.188 864 G CA 0.324 45.436 45.100 0.019 0.000 0.783 864 G HN 0.249 nan 8.290 nan 0.000 0.537 865 L N 0.831 122.017 121.223 -0.062 0.000 2.046 865 L HA -0.084 4.257 4.340 0.001 0.000 0.208 865 L C 3.444 180.381 176.870 0.112 0.000 1.077 865 L CA 0.974 55.803 54.840 -0.019 0.000 0.747 865 L CB -0.518 41.502 42.059 -0.065 0.000 0.896 865 L HN 0.309 nan 8.230 nan 0.000 0.432 866 A N 0.569 123.449 122.820 0.101 0.000 1.873 866 A HA -0.220 4.101 4.320 0.001 0.000 0.218 866 A C 2.254 179.947 177.584 0.182 0.000 1.193 866 A CA 1.842 53.954 52.037 0.125 0.000 0.629 866 A CB -0.859 18.203 19.000 0.104 0.000 0.826 866 A HN 0.369 nan 8.150 nan 0.000 0.447 867 L N -1.866 119.501 121.223 0.239 0.000 2.017 867 L HA -0.202 4.138 4.340 0.001 0.000 0.208 867 L C 2.674 179.759 176.870 0.358 0.000 1.073 867 L CA 1.525 56.551 54.840 0.311 0.000 0.745 867 L CB -0.665 41.625 42.059 0.384 0.000 0.894 867 L HN 0.804 nan 8.230 nan 0.000 0.432 868 W N 1.901 123.286 121.300 0.142 0.000 2.321 868 W HA -0.268 4.393 4.660 0.001 0.000 0.306 868 W C 2.155 178.667 176.519 -0.012 0.000 1.217 868 W CA 2.155 59.462 57.345 -0.063 0.000 1.257 868 W CB -0.176 29.015 29.460 -0.448 0.000 1.145 868 W HN 0.321 nan 8.180 nan 0.000 0.509 869 E N 0.122 120.477 120.200 0.260 0.000 2.268 869 E HA -0.119 4.232 4.350 0.001 0.000 0.195 869 E C 2.184 178.838 176.600 0.091 0.000 0.995 869 E CA 1.122 57.625 56.400 0.171 0.000 0.836 869 E CB -0.084 29.722 29.700 0.177 0.000 0.763 869 E HN 0.229 nan 8.360 nan 0.000 0.491 870 A N 0.576 123.479 122.820 0.139 0.000 1.887 870 A HA 0.018 4.338 4.320 0.001 0.000 0.212 870 A C 2.022 179.693 177.584 0.146 0.000 1.198 870 A CA 0.313 52.479 52.037 0.214 0.000 0.628 870 A CB -0.329 18.864 19.000 0.321 0.000 0.847 870 A HN 0.216 nan 8.150 nan 0.000 0.449 871 I N 0.021 120.653 120.570 0.104 0.000 2.208 871 I HA -0.301 3.870 4.170 0.001 0.000 0.245 871 I C 2.559 178.511 176.117 -0.276 0.000 1.097 871 I CA 1.995 63.232 61.300 -0.105 0.000 1.363 871 I CB -0.296 37.682 38.000 -0.035 0.000 1.051 871 I HN 0.577 nan 8.210 nan 0.000 0.413 872 E N 0.628 120.589 120.200 -0.398 0.000 2.051 872 E HA -0.213 4.138 4.350 0.001 0.000 0.192 872 E C 2.080 178.552 176.600 -0.213 0.000 0.991 872 E CA 1.964 58.106 56.400 -0.430 0.000 0.799 872 E CB 0.021 29.424 29.700 -0.496 0.000 0.748 872 E HN 0.367 nan 8.360 nan 0.000 0.449 873 T N 0.772 115.261 114.554 -0.109 0.000 2.580 873 T HA -0.219 4.132 4.350 0.001 0.000 0.265 873 T C 1.371 176.025 174.700 -0.077 0.000 1.063 873 T CA 1.660 63.734 62.100 -0.044 0.000 1.170 873 T CB -0.642 68.252 68.868 0.044 0.000 0.863 873 T HN 0.276 nan 8.240 nan 0.000 0.418 874 F N 1.828 121.618 119.950 -0.266 0.000 2.011 874 F HA -0.173 4.355 4.527 0.001 0.000 0.296 874 F C 2.169 177.783 175.800 -0.309 0.000 1.144 874 F CA 1.303 59.078 58.000 -0.376 0.000 1.185 874 F CB -0.802 37.612 39.000 -0.976 0.000 0.961 874 F HN 0.104 nan 8.300 nan 0.000 0.485 875 I N 0.567 120.934 120.570 -0.339 0.000 2.181 875 I HA -0.399 3.772 4.170 0.001 0.000 0.247 875 I C 2.682 178.590 176.117 -0.349 0.000 1.081 875 I CA 1.591 62.672 61.300 -0.365 0.000 1.340 875 I CB -1.651 36.203 38.000 -0.244 0.000 1.036 875 I HN 0.454 nan 8.210 nan 0.000 0.417 876 G N 0.793 109.433 108.800 -0.266 0.000 2.639 876 G HA2 -0.284 3.676 3.960 0.001 0.000 0.216 876 G HA3 -0.284 3.676 3.960 0.001 0.000 0.216 876 G C 1.365 176.142 174.900 -0.204 0.000 1.267 876 G CA 1.071 46.053 45.100 -0.198 0.000 0.801 876 G HN 0.494 nan 8.290 nan 0.000 0.592 877 E N 0.149 120.217 120.200 -0.221 0.000 2.169 877 E HA -0.224 4.126 4.350 0.001 0.000 0.202 877 E C 2.498 178.959 176.600 -0.232 0.000 1.016 877 E CA 1.243 57.518 56.400 -0.208 0.000 0.817 877 E CB -0.276 29.299 29.700 -0.208 0.000 0.736 877 E HN 0.455 nan 8.360 nan 0.000 0.462 878 I N 1.136 121.494 120.570 -0.354 0.000 2.202 878 I HA -0.250 3.920 4.170 0.001 0.000 0.242 878 I C 2.372 178.530 176.117 0.068 0.000 1.091 878 I CA 1.173 62.347 61.300 -0.209 0.000 1.368 878 I CB -0.361 37.412 38.000 -0.379 0.000 1.058 878 I HN 0.095 nan 8.210 nan 0.000 0.410 879 I N 0.473 121.023 120.570 -0.034 0.000 2.194 879 I HA -0.371 3.800 4.170 0.001 0.000 0.246 879 I C 2.670 178.880 176.117 0.156 0.000 1.093 879 I CA 1.472 62.801 61.300 0.047 0.000 1.355 879 I CB -0.796 37.110 38.000 -0.156 0.000 1.046 879 I HN 0.235 nan 8.210 nan 0.000 0.413 880 A N 1.627 124.461 122.820 0.024 0.000 1.851 880 A HA -0.209 4.112 4.320 0.001 0.000 0.216 880 A C 2.326 179.899 177.584 -0.018 0.000 1.195 880 A CA 1.744 53.784 52.037 0.005 0.000 0.622 880 A CB -0.939 18.029 19.000 -0.055 0.000 0.831 880 A HN 0.369 nan 8.150 nan 0.000 0.444 881 I N -1.772 118.735 120.570 -0.106 0.000 2.113 881 I HA -0.333 3.838 4.170 0.001 0.000 0.242 881 I C 2.240 178.075 176.117 -0.471 0.000 1.057 881 I CA 2.051 63.142 61.300 -0.349 0.000 1.314 881 I CB -0.498 37.166 38.000 -0.559 0.000 1.022 881 I HN 0.384 nan 8.210 nan 0.000 0.408 882 F N -1.408 118.553 119.950 0.018 0.000 2.656 882 F HA 0.088 4.616 4.527 0.001 0.000 0.291 882 F C 0.449 176.185 175.800 -0.107 0.000 1.122 882 F CA -0.096 57.886 58.000 -0.031 0.000 1.427 882 F CB -0.172 38.829 39.000 0.002 0.000 1.125 882 F HN -0.124 nan 8.300 nan 0.000 0.583 883 Y N 0.781 121.166 120.300 0.141 0.000 2.593 883 Y HA 0.431 4.981 4.550 0.001 0.000 0.331 883 Y C 1.268 177.199 175.900 0.053 0.000 0.986 883 Y CA -1.073 57.095 58.100 0.113 0.000 1.262 883 Y CB 0.489 39.001 38.460 0.086 0.000 1.098 883 Y HN -0.011 nan 8.280 nan 0.000 0.506 884 K N 2.127 122.592 120.400 0.108 0.000 2.211 884 K HA -0.050 4.271 4.320 0.001 0.000 0.203 884 K C 0.287 176.926 176.600 0.065 0.000 1.050 884 K CA 2.078 58.398 56.287 0.055 0.000 0.945 884 K CB -0.677 31.835 32.500 0.021 0.000 0.732 884 K HN 0.897 nan 8.250 nan 0.000 0.451 885 N N -2.868 115.894 118.700 0.103 0.000 3.127 885 N HA 0.141 4.882 4.740 0.001 0.000 0.239 885 N C -0.808 174.775 175.510 0.122 0.000 1.407 885 N CA -0.210 52.891 53.050 0.085 0.000 0.891 885 N CB 0.407 38.919 38.487 0.041 0.000 1.447 885 N HN -0.119 nan 8.380 nan 0.000 0.507 886 D N -0.790 119.665 120.400 0.092 0.000 2.357 886 D HA -0.131 4.510 4.640 0.001 0.000 0.216 886 D C 0.544 176.906 176.300 0.103 0.000 0.973 886 D CA 1.176 55.236 54.000 0.099 0.000 0.912 886 D CB 0.029 40.869 40.800 0.067 0.000 0.900 886 D HN 0.594 nan 8.370 nan 0.000 0.501 887 D N 0.039 120.480 120.400 0.069 0.000 2.149 887 D HA -0.102 4.538 4.640 0.001 0.000 0.206 887 D C 1.345 177.661 176.300 0.027 0.000 0.967 887 D CA 0.686 54.702 54.000 0.025 0.000 0.848 887 D CB 0.011 40.794 40.800 -0.029 0.000 0.998 887 D HN -0.038 nan 8.370 nan 0.000 0.474 888 D N 0.063 120.492 120.400 0.049 0.000 2.158 888 D HA -0.138 4.503 4.640 0.001 0.000 0.197 888 D C 2.210 178.709 176.300 0.332 0.000 0.995 888 D CA 0.581 54.634 54.000 0.089 0.000 0.846 888 D CB -0.062 40.845 40.800 0.179 0.000 0.941 888 D HN 0.148 nan 8.370 nan 0.000 0.456 889 V N 1.186 121.369 119.914 0.448 0.000 2.223 889 V HA -0.257 3.863 4.120 0.001 0.000 0.244 889 V C 2.421 178.737 176.094 0.371 0.000 1.045 889 V CA 1.707 64.328 62.300 0.534 0.000 1.000 889 V CB -0.353 31.644 31.823 0.290 0.000 0.635 889 V HN 0.158 nan 8.190 nan 0.000 0.445 890 K N -0.007 120.532 120.400 0.231 0.000 2.074 890 K HA -0.248 4.073 4.320 0.001 0.000 0.209 890 K C 2.524 179.210 176.600 0.144 0.000 1.048 890 K CA 2.100 58.486 56.287 0.165 0.000 0.926 890 K CB -0.407 32.149 32.500 0.093 0.000 0.713 890 K HN 0.521 nan 8.250 nan 0.000 0.444 891 R N 1.855 122.413 120.500 0.097 0.000 2.096 891 R HA -0.111 4.230 4.340 0.001 0.000 0.235 891 R C 1.112 177.561 176.300 0.249 0.000 1.127 891 R CA 1.725 57.839 56.100 0.023 0.000 0.968 891 R CB -1.289 28.791 30.300 -0.366 0.000 0.861 891 R HN 0.232 nan 8.270 nan 0.000 0.440 892 D N 1.281 121.935 120.400 0.424 0.000 2.389 892 D HA -0.083 4.558 4.640 0.001 0.000 0.278 892 D C 0.883 177.365 176.300 0.304 0.000 1.398 892 D CA 0.543 54.789 54.000 0.409 0.000 1.090 892 D CB -0.161 40.910 40.800 0.453 0.000 1.108 892 D HN 0.601 nan 8.370 nan 0.000 0.532 893 N N 3.233 122.073 118.700 0.233 0.000 2.149 893 N HA -0.233 4.508 4.740 0.001 0.000 0.188 893 N C 1.298 176.928 175.510 0.199 0.000 1.019 893 N CA 1.427 54.582 53.050 0.175 0.000 0.857 893 N CB -0.011 38.552 38.487 0.126 0.000 0.997 893 N HN 0.433 nan 8.380 nan 0.000 0.426 894 E N -0.474 119.857 120.200 0.218 0.000 2.031 894 E HA -0.135 4.216 4.350 0.001 0.000 0.193 894 E C 1.722 178.531 176.600 0.348 0.000 0.994 894 E CA 1.125 57.685 56.400 0.266 0.000 0.800 894 E CB -0.179 29.701 29.700 0.300 0.000 0.752 894 E HN 0.376 nan 8.360 nan 0.000 0.447 895 I N 1.243 122.085 120.570 0.452 0.000 2.567 895 I HA -0.247 3.924 4.170 0.001 0.000 0.257 895 I C 1.893 178.312 176.117 0.504 0.000 1.184 895 I CA 1.220 62.807 61.300 0.478 0.000 1.451 895 I CB -0.028 38.293 38.000 0.534 0.000 1.089 895 I HN 0.060 nan 8.210 nan 0.000 0.441 896 Q N -0.186 119.837 119.800 0.371 0.000 2.083 896 Q HA -0.068 4.272 4.340 0.001 0.000 0.198 896 Q C 2.427 178.554 176.000 0.212 0.000 0.969 896 Q CA 1.750 57.698 55.803 0.241 0.000 0.838 896 Q CB -0.588 28.252 28.738 0.170 0.000 0.900 896 Q HN 0.471 nan 8.270 nan 0.000 0.436 897 S N 0.340 116.186 115.700 0.244 0.000 2.368 897 S HA -0.137 4.334 4.470 0.001 0.000 0.224 897 S C 1.337 176.125 174.600 0.314 0.000 1.029 897 S CA 0.827 59.182 58.200 0.258 0.000 0.988 897 S CB -0.368 62.967 63.200 0.225 0.000 0.838 897 S HN 0.466 nan 8.310 nan 0.000 0.462 898 W N 2.289 123.666 121.300 0.127 0.000 2.260 898 W HA -0.199 4.461 4.660 0.001 0.000 0.326 898 W C 1.937 178.467 176.519 0.018 0.000 1.229 898 W CA 1.277 58.674 57.345 0.087 0.000 1.190 898 W CB -1.028 28.496 29.460 0.107 0.000 1.177 898 W HN 0.211 nan 8.180 nan 0.000 0.457 899 I N 0.046 120.676 120.570 0.101 0.000 2.502 899 I HA -0.303 3.868 4.170 0.001 0.000 0.258 899 I C 2.159 178.117 176.117 -0.266 0.000 1.172 899 I CA 1.802 62.905 61.300 -0.327 0.000 1.430 899 I CB -0.933 36.740 38.000 -0.544 0.000 1.086 899 I HN 0.303 nan 8.210 nan 0.000 0.440 900 Y N 0.323 120.519 120.300 -0.173 0.000 2.314 900 Y HA -0.090 4.461 4.550 0.001 0.000 0.294 900 Y C 2.146 178.020 175.900 -0.043 0.000 1.119 900 Y CA 1.570 59.622 58.100 -0.080 0.000 1.179 900 Y CB -0.359 38.090 38.460 -0.017 0.000 1.025 900 Y HN 0.218 nan 8.280 nan 0.000 0.541 901 D N -0.546 119.838 120.400 -0.028 0.000 2.149 901 D HA -0.175 4.465 4.640 0.001 0.000 0.198 901 D C 2.070 178.271 176.300 -0.165 0.000 0.990 901 D CA 1.649 55.651 54.000 0.004 0.000 0.839 901 D CB -0.013 40.910 40.800 0.206 0.000 0.948 901 D HN 0.254 nan 8.370 nan 0.000 0.460 902 V N -0.575 119.113 119.914 -0.377 0.000 2.548 902 V HA -0.165 3.956 4.120 0.001 0.000 0.249 902 V C 2.124 177.908 176.094 -0.516 0.000 1.055 902 V CA 1.699 63.634 62.300 -0.608 0.000 1.065 902 V CB -0.619 30.426 31.823 -1.296 0.000 0.681 902 V HN 0.333 nan 8.190 nan 0.000 0.462 903 H N 1.619 120.369 119.070 -0.533 0.000 2.326 903 H HA -0.075 4.482 4.556 0.001 0.000 0.301 903 H C 2.087 177.182 175.328 -0.388 0.000 1.081 903 H CA 2.616 58.421 56.048 -0.405 0.000 1.334 903 H CB 0.021 29.565 29.762 -0.363 0.000 1.385 903 H HN 0.371 nan 8.280 nan 0.000 0.504 904 K N -0.309 119.690 120.400 -0.668 0.000 2.352 904 K HA 0.194 4.514 4.320 0.001 0.000 0.194 904 K C 1.360 177.683 176.600 -0.461 0.000 1.038 904 K CA 1.003 56.925 56.287 -0.610 0.000 1.023 904 K CB -0.051 32.041 32.500 -0.680 0.000 0.840 904 K HN 0.674 nan 8.250 nan 0.000 0.519 905 N N -1.670 116.720 118.700 -0.517 0.000 2.129 905 N HA 0.130 4.871 4.740 0.001 0.000 0.222 905 N C 1.741 176.651 175.510 -0.999 0.000 1.303 905 N CA 0.301 52.936 53.050 -0.692 0.000 0.897 905 N CB 0.791 38.769 38.487 -0.847 0.000 1.093 905 N HN 0.290 nan 8.380 nan 0.000 0.501 906 G N 0.017 108.384 108.800 -0.721 0.000 2.551 906 G HA2 -0.083 3.877 3.960 0.001 0.000 0.214 906 G HA3 -0.083 3.877 3.960 0.001 0.000 0.214 906 G C -0.453 174.535 174.900 0.146 0.000 1.250 906 G CA 0.244 45.060 45.100 -0.473 0.000 0.825 906 G HN 0.154 nan 8.290 nan 0.000 0.549 907 W N 2.494 123.711 121.300 -0.139 0.000 2.227 907 W HA 0.578 5.238 4.660 0.001 0.000 0.308 907 W C -0.152 176.397 176.519 0.051 0.000 0.882 907 W CA -1.993 55.388 57.345 0.060 0.000 1.707 907 W CB -0.519 28.973 29.460 0.052 0.000 1.782 907 W HN 0.021 nan 8.180 nan 0.000 0.385 908 R N 0.975 121.604 120.500 0.215 0.000 2.502 908 R HA 0.095 4.436 4.340 0.001 0.000 0.292 908 R C 0.878 177.292 176.300 0.191 0.000 0.998 908 R CA 0.034 56.165 56.100 0.052 0.000 1.056 908 R CB 0.630 30.882 30.300 -0.081 0.000 0.939 908 R HN 0.149 nan 8.270 nan 0.000 0.411 909 V N 0.736 120.686 119.914 0.060 0.000 3.111 909 V HA 0.029 4.149 4.120 0.001 0.000 0.381 909 V C 0.431 176.414 176.094 -0.184 0.000 1.387 909 V CA -0.748 61.558 62.300 0.010 0.000 1.550 909 V CB -1.190 30.587 31.823 -0.078 0.000 1.305 909 V HN 0.552 nan 8.190 nan 0.000 0.494 910 N N 2.411 120.901 118.700 -0.350 0.000 2.207 910 N HA 0.043 4.784 4.740 0.001 0.000 0.220 910 N C -1.270 173.992 175.510 -0.413 0.000 1.303 910 N CA -0.585 52.203 53.050 -0.437 0.000 0.875 910 N CB -0.077 38.094 38.487 -0.526 0.000 1.094 910 N HN 0.174 nan 8.380 nan 0.000 0.435 911 P HA -0.259 nan 4.420 nan 0.000 0.233 911 P C 1.271 178.520 177.300 -0.084 0.000 0.801 911 P CA 2.236 65.254 63.100 -0.136 0.000 1.108 911 P CB -0.388 31.256 31.700 -0.094 0.000 0.711 912 G N -0.956 107.837 108.800 -0.010 0.000 2.556 912 G HA2 -0.282 3.679 3.960 0.001 0.000 0.220 912 G HA3 -0.282 3.679 3.960 0.001 0.000 0.220 912 G C 0.328 175.296 174.900 0.113 0.000 1.156 912 G CA 1.145 46.288 45.100 0.073 0.000 0.766 912 G HN 0.544 nan 8.290 nan 0.000 0.583 913 H N 0.572 119.601 119.070 -0.070 0.000 3.119 913 H HA 0.096 4.653 4.556 0.001 0.000 0.334 913 H C 0.407 175.585 175.328 -0.249 0.000 1.042 913 H CA -0.030 55.919 56.048 -0.165 0.000 1.354 913 H CB 0.348 30.013 29.762 -0.163 0.000 1.285 913 H HN 0.363 nan 8.280 nan 0.000 0.601 914 Q N 1.241 120.923 119.800 -0.198 0.000 2.193 914 Q HA 0.053 4.394 4.340 0.001 0.000 0.246 914 Q C -0.013 175.758 176.000 -0.381 0.000 0.959 914 Q CA -0.882 54.802 55.803 -0.199 0.000 0.904 914 Q CB 1.194 29.853 28.738 -0.132 0.000 1.238 914 Q HN 0.609 nan 8.270 nan 0.000 0.469 915 D N 0.758 121.022 120.400 -0.226 0.000 2.533 915 D HA -0.120 4.520 4.640 0.001 0.000 0.236 915 D C -0.053 176.135 176.300 -0.186 0.000 1.137 915 D CA 0.494 54.379 54.000 -0.191 0.000 0.867 915 D CB 0.626 41.403 40.800 -0.038 0.000 1.170 915 D HN 0.532 nan 8.370 nan 0.000 0.474 916 H N 2.913 122.045 119.070 0.104 0.000 2.592 916 H HA 0.142 4.699 4.556 0.001 0.000 0.291 916 H C 1.574 177.096 175.328 0.324 0.000 1.052 916 H CA 0.550 56.721 56.048 0.206 0.000 1.175 916 H CB 0.020 29.962 29.762 0.300 0.000 1.378 916 H HN 0.735 nan 8.280 nan 0.000 0.576 917 G N 1.258 110.227 108.800 0.282 0.000 2.280 917 G HA2 -0.296 3.665 3.960 0.001 0.000 0.282 917 G HA3 -0.296 3.665 3.960 0.001 0.000 0.282 917 G C 0.460 175.507 174.900 0.246 0.000 1.000 917 G CA 0.830 46.080 45.100 0.251 0.000 0.751 917 G HN 0.425 nan 8.290 nan 0.000 0.515 918 V N 0.482 120.544 119.914 0.247 0.000 2.439 918 V HA 0.647 4.768 4.120 0.001 0.000 0.282 918 V C -0.924 175.234 176.094 0.107 0.000 1.039 918 V CA -1.975 60.402 62.300 0.129 0.000 0.913 918 V CB 1.403 33.210 31.823 -0.028 0.000 0.983 918 V HN 0.106 nan 8.190 nan 0.000 0.460 919 P HA 0.229 nan 4.420 nan 0.000 0.286 919 P C -0.178 176.872 177.300 -0.416 0.000 1.278 919 P CA 0.697 63.705 63.100 -0.154 0.000 0.785 919 P CB 0.530 32.130 31.700 -0.168 0.000 1.269 920 A N -1.837 120.703 122.820 -0.466 0.000 2.701 920 A HA 0.487 4.808 4.320 0.001 0.000 0.241 920 A C -0.142 177.346 177.584 -0.159 0.000 1.231 920 A CA 0.602 52.345 52.037 -0.490 0.000 1.003 920 A CB -0.155 18.451 19.000 -0.657 0.000 1.281 920 A HN 0.505 nan 8.150 nan 0.000 0.600 921 S N -1.638 113.914 115.700 -0.247 0.000 2.686 921 S HA 0.606 5.077 4.470 0.001 0.000 0.273 921 S C -1.223 173.252 174.600 -0.209 0.000 1.060 921 S CA -0.703 57.383 58.200 -0.191 0.000 0.845 921 S CB 0.239 63.402 63.200 -0.062 0.000 1.086 921 S HN 0.312 nan 8.310 nan 0.000 0.461 922 F N 1.306 121.315 119.950 0.098 0.000 2.443 922 F HA 0.561 5.088 4.527 0.001 0.000 0.335 922 F C 1.359 177.206 175.800 0.079 0.000 1.104 922 F CA -0.672 57.384 58.000 0.094 0.000 1.013 922 F CB 1.708 40.775 39.000 0.112 0.000 1.136 922 F HN 0.651 nan 8.300 nan 0.000 0.470 923 E N 0.749 121.120 120.200 0.285 0.000 2.330 923 E HA 0.049 4.399 4.350 0.001 0.000 0.200 923 E C 0.561 177.245 176.600 0.140 0.000 0.922 923 E CA 0.394 56.895 56.400 0.169 0.000 0.935 923 E CB 0.422 30.195 29.700 0.121 0.000 0.917 923 E HN 0.548 nan 8.360 nan 0.000 0.491 924 S N -0.870 114.908 115.700 0.131 0.000 2.841 924 S HA 0.524 4.995 4.470 0.001 0.000 0.318 924 S C 0.818 175.416 174.600 -0.004 0.000 1.127 924 S CA -0.722 57.519 58.200 0.069 0.000 0.883 924 S CB 2.265 65.499 63.200 0.056 0.000 1.271 924 S HN -0.119 nan 8.310 nan 0.000 0.567 925 R N -0.181 120.303 120.500 -0.027 0.000 2.105 925 R HA 0.186 4.527 4.340 0.001 0.000 0.214 925 R C 2.672 178.895 176.300 -0.128 0.000 1.091 925 R CA 0.998 57.032 56.100 -0.110 0.000 1.007 925 R CB -1.011 29.265 30.300 -0.040 0.000 0.912 925 R HN 0.871 nan 8.270 nan 0.000 0.450 926 E N 1.707 121.877 120.200 -0.050 0.000 2.209 926 E HA -0.272 4.079 4.350 0.001 0.000 0.196 926 E C 1.661 178.254 176.600 -0.012 0.000 0.993 926 E CA 1.659 58.045 56.400 -0.023 0.000 0.819 926 E CB -0.530 29.182 29.700 0.020 0.000 0.745 926 E HN 0.522 nan 8.360 nan 0.000 0.477 927 Q N -1.027 118.765 119.800 -0.013 0.000 2.089 927 Q HA 0.002 4.343 4.340 0.001 0.000 0.195 927 Q C 2.351 178.284 176.000 -0.111 0.000 0.963 927 Q CA 1.152 56.985 55.803 0.049 0.000 0.834 927 Q CB -0.174 28.663 28.738 0.166 0.000 0.906 927 Q HN 0.503 nan 8.270 nan 0.000 0.452 928 L N 1.737 122.676 121.223 -0.473 0.000 2.013 928 L HA -0.220 4.120 4.340 0.001 0.000 0.212 928 L C 2.398 178.992 176.870 -0.460 0.000 1.073 928 L CA 2.316 56.554 54.840 -1.003 0.000 0.753 928 L CB -0.638 40.814 42.059 -1.010 0.000 0.890 928 L HN 0.219 nan 8.230 nan 0.000 0.432 929 K N -0.494 119.723 120.400 -0.304 0.000 2.032 929 K HA -0.292 4.029 4.320 0.001 0.000 0.209 929 K C 2.145 178.669 176.600 -0.127 0.000 1.048 929 K CA 2.087 58.250 56.287 -0.207 0.000 0.927 929 K CB -0.290 32.117 32.500 -0.154 0.000 0.712 929 K HN 0.578 nan 8.250 nan 0.000 0.441 930 E N -0.062 120.125 120.200 -0.022 0.000 2.023 930 E HA -0.181 4.170 4.350 0.001 0.000 0.196 930 E C 1.947 178.625 176.600 0.129 0.000 1.003 930 E CA 1.794 58.260 56.400 0.109 0.000 0.809 930 E CB 0.052 29.885 29.700 0.222 0.000 0.755 930 E HN 0.173 nan 8.360 nan 0.000 0.449 931 V N 1.422 121.438 119.914 0.170 0.000 2.220 931 V HA -0.325 3.796 4.120 0.001 0.000 0.246 931 V C 2.511 178.675 176.094 0.116 0.000 1.049 931 V CA 1.951 64.388 62.300 0.229 0.000 1.003 931 V CB -0.732 31.394 31.823 0.504 0.000 0.634 931 V HN 0.366 nan 8.190 nan 0.000 0.444 932 L N -0.168 121.103 121.223 0.079 0.000 2.034 932 L HA -0.293 4.047 4.340 0.001 0.000 0.217 932 L C 2.645 179.458 176.870 -0.095 0.000 1.077 932 L CA 2.378 57.218 54.840 0.000 0.000 0.769 932 L CB -1.348 40.637 42.059 -0.124 0.000 0.890 932 L HN 0.430 nan 8.230 nan 0.000 0.435 933 T N -0.807 113.624 114.554 -0.204 0.000 2.652 933 T HA -0.186 4.165 4.350 0.001 0.000 0.267 933 T C 2.112 176.613 174.700 -0.331 0.000 1.039 933 T CA 1.688 63.525 62.100 -0.438 0.000 1.153 933 T CB -0.242 68.123 68.868 -0.840 0.000 0.863 933 T HN 0.316 nan 8.240 nan 0.000 0.428 934 S N 1.631 117.290 115.700 -0.068 0.000 2.377 934 S HA -0.146 4.324 4.470 0.001 0.000 0.224 934 S C 1.944 176.647 174.600 0.171 0.000 1.042 934 S CA 1.258 59.656 58.200 0.329 0.000 1.086 934 S CB -0.848 62.571 63.200 0.365 0.000 0.995 934 S HN 0.273 nan 8.310 nan 0.000 0.428 935 L N 2.328 123.511 121.223 -0.068 0.000 1.991 935 L HA -0.180 4.160 4.340 0.001 0.000 0.221 935 L C 2.523 179.320 176.870 -0.121 0.000 1.079 935 L CA 2.435 57.118 54.840 -0.260 0.000 0.778 935 L CB -1.091 40.824 42.059 -0.241 0.000 0.893 935 L HN 0.369 nan 8.230 nan 0.000 0.437 936 V N -2.671 117.254 119.914 0.019 0.000 2.515 936 V HA -0.243 3.877 4.120 0.001 0.000 0.250 936 V C 2.380 178.558 176.094 0.140 0.000 1.058 936 V CA 1.771 64.107 62.300 0.060 0.000 1.064 936 V CB -1.353 30.306 31.823 -0.274 0.000 0.675 936 V HN 0.481 nan 8.190 nan 0.000 0.461 937 F N 2.349 122.317 119.950 0.031 0.000 2.216 937 F HA -0.081 4.447 4.527 0.001 0.000 0.300 937 F C 2.216 178.169 175.800 0.256 0.000 1.085 937 F CA 2.274 60.371 58.000 0.163 0.000 1.326 937 F CB -0.501 38.653 39.000 0.257 0.000 1.027 937 F HN 0.192 nan 8.300 nan 0.000 0.497 938 T N 0.140 114.846 114.554 0.252 0.000 2.851 938 T HA -0.099 4.251 4.350 0.001 0.000 0.262 938 T C 1.866 176.663 174.700 0.161 0.000 1.043 938 T CA 1.309 63.527 62.100 0.197 0.000 1.140 938 T CB -0.642 68.374 68.868 0.246 0.000 0.872 938 T HN 0.282 nan 8.240 nan 0.000 0.446 939 F N 1.833 121.860 119.950 0.128 0.000 2.216 939 F HA -0.156 4.372 4.527 0.001 0.000 0.300 939 F C 2.610 178.493 175.800 0.138 0.000 1.085 939 F CA 0.859 58.925 58.000 0.111 0.000 1.326 939 F CB 0.024 39.114 39.000 0.152 0.000 1.027 939 F HN 0.260 nan 8.300 nan 0.000 0.497 940 S N -1.272 114.626 115.700 0.329 0.000 2.836 940 S HA -0.070 4.401 4.470 0.001 0.000 0.164 940 S C 1.957 176.630 174.600 0.121 0.000 0.714 940 S CA 0.436 58.786 58.200 0.251 0.000 0.906 940 S CB -0.759 62.603 63.200 0.271 0.000 0.702 940 S HN 0.271 nan 8.310 nan 0.000 0.571 941 C N 2.010 121.248 119.300 -0.104 0.000 2.349 941 C HA -0.133 4.328 4.460 0.001 0.000 0.274 941 C C 3.076 177.955 174.990 -0.185 0.000 1.178 941 C CA 1.535 60.399 59.018 -0.256 0.000 1.769 941 C CB -1.635 25.672 27.740 -0.721 0.000 2.047 941 C HN 0.646 nan 8.230 nan 0.000 0.448 942 Q N 0.150 119.720 119.800 -0.383 0.000 2.029 942 Q HA -0.229 4.111 4.340 0.001 0.000 0.209 942 Q C 1.969 178.077 176.000 0.180 0.000 0.999 942 Q CA 2.335 58.167 55.803 0.048 0.000 0.857 942 Q CB -1.048 27.794 28.738 0.172 0.000 0.926 942 Q HN 0.884 nan 8.270 nan 0.000 0.415 943 H N -0.127 119.014 119.070 0.120 0.000 2.319 943 H HA -0.125 4.432 4.556 0.001 0.000 0.297 943 H C 1.690 177.118 175.328 0.167 0.000 1.097 943 H CA 2.545 58.677 56.048 0.140 0.000 1.285 943 H CB -0.251 29.603 29.762 0.153 0.000 1.368 943 H HN 0.300 nan 8.280 nan 0.000 0.495 944 A N 0.572 123.579 122.820 0.312 0.000 1.902 944 A HA -0.076 4.245 4.320 0.001 0.000 0.217 944 A C 2.571 180.318 177.584 0.271 0.000 1.181 944 A CA 1.808 54.125 52.037 0.466 0.000 0.623 944 A CB -1.305 17.964 19.000 0.450 0.000 0.818 944 A HN 0.617 nan 8.150 nan 0.000 0.443 945 A N -1.239 121.718 122.820 0.229 0.000 2.121 945 A HA 0.161 4.482 4.320 0.001 0.000 0.218 945 A C 2.054 179.653 177.584 0.026 0.000 1.154 945 A CA 1.607 53.789 52.037 0.242 0.000 0.679 945 A CB -0.425 18.896 19.000 0.535 0.000 0.795 945 A HN 0.873 nan 8.150 nan 0.000 0.458 946 V N -0.715 119.171 119.914 -0.045 0.000 3.661 946 V HA 0.080 4.200 4.120 0.001 0.000 0.271 946 V C 1.453 177.371 176.094 -0.292 0.000 1.315 946 V CA 1.294 63.519 62.300 -0.124 0.000 1.072 946 V CB -0.070 31.731 31.823 -0.037 0.000 0.830 946 V HN 0.703 nan 8.190 nan 0.000 0.443 947 N N -0.156 118.250 118.700 -0.491 0.000 2.724 947 N HA 0.055 4.796 4.740 0.001 0.000 0.226 947 N C 1.518 176.687 175.510 -0.569 0.000 1.030 947 N CA 0.695 53.283 53.050 -0.771 0.000 1.038 947 N CB -0.132 37.558 38.487 -1.327 0.000 1.475 947 N HN 0.381 nan 8.380 nan 0.000 0.472 948 F N 2.312 122.096 119.950 -0.276 0.000 2.529 948 F HA -0.030 4.497 4.527 0.001 0.000 0.297 948 F C 2.147 177.851 175.800 -0.161 0.000 1.114 948 F CA 0.910 58.814 58.000 -0.160 0.000 1.467 948 F CB -0.028 38.951 39.000 -0.035 0.000 1.096 948 F HN 0.165 nan 8.300 nan 0.000 0.586 949 S N -1.332 114.167 115.700 -0.335 0.000 2.593 949 S HA -0.030 4.441 4.470 0.001 0.000 0.217 949 S C 1.521 175.889 174.600 -0.386 0.000 0.966 949 S CA -0.123 57.603 58.200 -0.790 0.000 0.914 949 S CB -0.212 62.178 63.200 -1.350 0.000 0.776 949 S HN 0.454 nan 8.310 nan 0.000 0.523 950 Q N 1.329 120.980 119.800 -0.249 0.000 2.167 950 Q HA -0.044 4.297 4.340 0.001 0.000 0.202 950 Q C 2.610 178.608 176.000 -0.003 0.000 0.970 950 Q CA 1.627 57.330 55.803 -0.167 0.000 0.855 950 Q CB -0.534 28.190 28.738 -0.024 0.000 0.911 950 Q HN 0.832 nan 8.270 nan 0.000 0.438 951 K N 1.066 121.482 120.400 0.026 0.000 2.097 951 K HA -0.194 4.127 4.320 0.001 0.000 0.206 951 K C 1.493 177.962 176.600 -0.219 0.000 1.049 951 K CA 1.834 58.039 56.287 -0.138 0.000 0.933 951 K CB -0.598 31.760 32.500 -0.237 0.000 0.717 951 K HN 0.176 nan 8.250 nan 0.000 0.442 952 D N -1.012 119.329 120.400 -0.099 0.000 2.103 952 D HA -0.054 4.587 4.640 0.001 0.000 0.199 952 D C 1.902 178.164 176.300 -0.063 0.000 0.978 952 D CA 1.281 55.236 54.000 -0.075 0.000 0.829 952 D CB -0.372 40.478 40.800 0.083 0.000 0.981 952 D HN 0.682 nan 8.370 nan 0.000 0.464 953 H N -0.242 118.706 119.070 -0.203 0.000 2.274 953 H HA -0.138 4.419 4.556 0.001 0.000 0.296 953 H C 1.672 176.885 175.328 -0.191 0.000 1.061 953 H CA 1.937 57.799 56.048 -0.310 0.000 1.226 953 H CB -0.395 28.960 29.762 -0.679 0.000 1.370 953 H HN 0.209 nan 8.280 nan 0.000 0.507 954 Y N -0.316 120.040 120.300 0.093 0.000 2.583 954 Y HA -0.009 4.541 4.550 0.001 0.000 0.293 954 Y C 2.592 178.497 175.900 0.008 0.000 1.157 954 Y CA -0.293 57.820 58.100 0.023 0.000 1.315 954 Y CB -0.070 38.438 38.460 0.079 0.000 1.021 954 Y HN 0.400 nan 8.280 nan 0.000 0.536 955 G N 1.340 110.210 108.800 0.116 0.000 2.624 955 G HA2 -0.362 3.599 3.960 0.001 0.000 0.221 955 G HA3 -0.362 3.599 3.960 0.001 0.000 0.221 955 G C 0.368 175.439 174.900 0.285 0.000 1.169 955 G CA 0.821 45.952 45.100 0.051 0.000 0.771 955 G HN 0.361 nan 8.290 nan 0.000 0.598 956 F N 2.103 122.060 119.950 0.011 0.000 2.319 956 F HA 0.394 4.922 4.527 0.001 0.000 0.356 956 F C 1.815 177.423 175.800 -0.320 0.000 1.100 956 F CA -0.550 57.398 58.000 -0.087 0.000 1.220 956 F CB 0.258 39.186 39.000 -0.120 0.000 1.506 956 F HN 0.113 nan 8.300 nan 0.000 0.512 957 T N 2.155 116.389 114.554 -0.534 0.000 2.814 957 T HA -0.209 4.142 4.350 0.001 0.000 0.264 957 T C -0.813 173.291 174.700 -0.993 0.000 1.050 957 T CA 1.620 63.329 62.100 -0.652 0.000 1.147 957 T CB -1.286 67.221 68.868 -0.602 0.000 0.833 957 T HN 0.393 nan 8.240 nan 0.000 0.498 958 P HA 0.040 nan 4.420 nan 0.000 0.230 958 P C 1.356 178.193 177.300 -0.771 0.000 1.158 958 P CA 0.675 62.875 63.100 -1.500 0.000 0.769 958 P CB -0.249 30.114 31.700 -2.228 0.000 0.807 959 N N -0.157 118.196 118.700 -0.578 0.000 2.424 959 N HA 0.008 4.749 4.740 0.001 0.000 0.178 959 N C 0.033 175.513 175.510 -0.049 0.000 1.060 959 N CA 0.430 53.437 53.050 -0.072 0.000 0.901 959 N CB 0.355 38.871 38.487 0.049 0.000 0.979 959 N HN -0.117 nan 8.380 nan 0.000 0.451 960 A N 1.287 124.044 122.820 -0.105 0.000 3.399 960 A HA 0.384 4.705 4.320 0.001 0.000 0.262 960 A C -2.786 174.786 177.584 -0.020 0.000 1.145 960 A CA -0.802 51.259 52.037 0.040 0.000 0.916 960 A CB 0.532 19.644 19.000 0.187 0.000 1.360 960 A HN 0.016 nan 8.150 nan 0.000 0.628 961 P HA 0.219 nan 4.420 nan 0.000 0.264 961 P C 0.979 178.140 177.300 -0.232 0.000 1.183 961 P CA 0.787 63.704 63.100 -0.305 0.000 0.763 961 P CB 1.249 32.697 31.700 -0.420 0.000 0.807 962 A N 2.979 125.635 122.820 -0.272 0.000 2.140 962 A HA 0.236 4.557 4.320 0.001 0.000 0.209 962 A C 0.526 178.001 177.584 -0.182 0.000 1.181 962 A CA 0.839 52.736 52.037 -0.234 0.000 0.824 962 A CB 0.223 19.045 19.000 -0.297 0.000 0.879 962 A HN 0.412 nan 8.150 nan 0.000 0.480 963 V N 0.485 120.277 119.914 -0.204 0.000 2.789 963 V HA 0.465 4.586 4.120 0.001 0.000 0.311 963 V C -1.105 174.852 176.094 -0.228 0.000 1.073 963 V CA -0.496 61.706 62.300 -0.164 0.000 0.921 963 V CB 2.040 33.792 31.823 -0.120 0.000 1.009 963 V HN 0.321 nan 8.190 nan 0.000 0.426 964 L N 4.254 125.361 121.223 -0.193 0.000 2.376 964 L HA 0.548 4.888 4.340 0.001 0.000 0.275 964 L C 0.814 177.612 176.870 -0.120 0.000 0.987 964 L CA -0.545 54.113 54.840 -0.303 0.000 0.828 964 L CB 2.286 43.964 42.059 -0.635 0.000 1.249 964 L HN 0.638 nan 8.230 nan 0.000 0.409 965 R N 0.945 121.308 120.500 -0.228 0.000 2.313 965 R HA 0.133 4.473 4.340 0.001 0.000 0.199 965 R C -0.240 175.688 176.300 -0.618 0.000 0.958 965 R CA 0.302 56.226 56.100 -0.292 0.000 1.047 965 R CB -0.007 30.068 30.300 -0.375 0.000 0.955 965 R HN 0.467 nan 8.270 nan 0.000 0.481 966 H N -1.271 117.592 119.070 -0.344 0.000 2.985 966 H HA 0.351 4.907 4.556 0.001 0.000 0.360 966 H C -2.502 172.287 175.328 -0.898 0.000 1.221 966 H CA -2.754 52.948 56.048 -0.577 0.000 1.121 966 H CB 1.788 31.429 29.762 -0.203 0.000 1.854 966 H HN -0.256 nan 8.280 nan 0.000 0.551 967 P HA 0.098 nan 4.420 nan 0.000 0.273 967 P C -2.400 174.902 177.300 0.003 0.000 1.250 967 P CA -0.997 61.937 63.100 -0.277 0.000 0.793 967 P CB 0.052 31.743 31.700 -0.015 0.000 1.011 968 P HA 0.316 nan 4.420 nan 0.000 0.284 968 P C -2.567 174.626 177.300 -0.178 0.000 1.258 968 P CA -2.230 60.545 63.100 -0.541 0.000 0.824 968 P CB -0.565 30.329 31.700 -1.343 0.000 1.038 969 P HA -0.085 nan 4.420 nan 0.000 0.255 969 P C 0.439 177.829 177.300 0.151 0.000 1.161 969 P CA 0.620 63.770 63.100 0.084 0.000 0.768 969 P CB 0.026 31.773 31.700 0.078 0.000 0.746 970 K N 2.273 122.744 120.400 0.118 0.000 2.166 970 K HA 0.142 4.463 4.320 0.001 0.000 0.201 970 K C 1.206 177.882 176.600 0.126 0.000 1.052 970 K CA 1.120 57.467 56.287 0.099 0.000 0.969 970 K CB -0.679 31.856 32.500 0.059 0.000 0.761 970 K HN 0.348 nan 8.250 nan 0.000 0.459 971 K N 1.340 121.831 120.400 0.153 0.000 2.380 971 K HA 0.529 4.849 4.320 0.001 0.000 0.243 971 K C -0.648 176.104 176.600 0.253 0.000 1.071 971 K CA -0.710 55.658 56.287 0.136 0.000 0.942 971 K CB 0.407 32.964 32.500 0.096 0.000 1.324 971 K HN 0.070 nan 8.250 nan 0.000 0.517 972 K N -1.008 119.505 120.400 0.188 0.000 2.221 972 K HA 0.587 4.908 4.320 0.001 0.000 0.243 972 K C 0.394 177.140 176.600 0.245 0.000 0.968 972 K CA -0.224 56.239 56.287 0.294 0.000 0.846 972 K CB 1.762 34.315 32.500 0.088 0.000 1.141 972 K HN 1.176 nan 8.250 nan 0.000 0.434 973 G N 0.164 109.144 108.800 0.300 0.000 2.225 973 G HA2 -0.347 3.614 3.960 0.001 0.000 0.267 973 G HA3 -0.347 3.614 3.960 0.001 0.000 0.267 973 G C 0.469 175.471 174.900 0.170 0.000 1.024 973 G CA 1.090 46.316 45.100 0.210 0.000 0.784 973 G HN 0.758 nan 8.290 nan 0.000 0.507 974 E N -1.349 118.956 120.200 0.175 0.000 2.413 974 E HA 0.718 5.069 4.350 0.001 0.000 0.203 974 E C 1.492 178.164 176.600 0.120 0.000 0.957 974 E CA 1.158 57.634 56.400 0.126 0.000 0.950 974 E CB -0.113 29.651 29.700 0.107 0.000 0.957 974 E HN 2.179 nan 8.360 nan 0.000 0.497 975 A N 1.577 124.485 122.820 0.146 0.000 2.563 975 A HA 0.424 4.744 4.320 0.001 0.000 0.256 975 A C 0.489 178.164 177.584 0.151 0.000 1.056 975 A CA 0.759 52.878 52.037 0.136 0.000 0.775 975 A CB -0.463 18.637 19.000 0.166 0.000 0.973 975 A HN 0.282 nan 8.150 nan 0.000 0.516 976 T N 3.120 117.681 114.554 0.011 0.000 2.940 976 T HA 0.366 4.717 4.350 0.001 0.000 0.288 976 T C 1.326 175.781 174.700 -0.407 0.000 1.033 976 T CA -0.439 61.607 62.100 -0.089 0.000 1.033 976 T CB 1.306 70.156 68.868 -0.029 0.000 1.079 976 T HN 0.579 nan 8.240 nan 0.000 0.496 977 L N 2.343 123.195 121.223 -0.619 0.000 2.079 977 L HA -0.053 4.287 4.340 0.001 0.000 0.210 977 L C 2.757 179.479 176.870 -0.247 0.000 1.081 977 L CA 2.549 57.063 54.840 -0.544 0.000 0.752 977 L CB -1.367 40.526 42.059 -0.276 0.000 0.896 977 L HN 0.869 nan 8.230 nan 0.000 0.433 978 Q N -0.411 119.298 119.800 -0.153 0.000 1.942 978 Q HA -0.223 4.118 4.340 0.001 0.000 0.203 978 Q C 2.481 178.445 176.000 -0.060 0.000 0.987 978 Q CA 2.952 58.706 55.803 -0.081 0.000 0.844 978 Q CB -1.796 26.913 28.738 -0.048 0.000 0.911 978 Q HN 0.811 nan 8.270 nan 0.000 0.423 979 S N 1.232 116.898 115.700 -0.057 0.000 2.380 979 S HA -0.230 4.240 4.470 0.001 0.000 0.229 979 S C 1.961 176.559 174.600 -0.003 0.000 1.050 979 S CA 2.154 60.336 58.200 -0.031 0.000 1.100 979 S CB -1.132 62.050 63.200 -0.029 0.000 0.984 979 S HN 1.233 nan 8.310 nan 0.000 0.434 980 I N -1.250 119.313 120.570 -0.013 0.000 3.454 980 I HA 0.249 4.420 4.170 0.001 0.000 0.297 980 I C 1.512 177.627 176.117 -0.004 0.000 1.298 980 I CA 0.661 61.982 61.300 0.035 0.000 1.297 980 I CB -0.130 37.968 38.000 0.164 0.000 1.017 980 I HN 0.267 nan 8.210 nan 0.000 0.528 981 L N 0.603 121.810 121.223 -0.026 0.000 2.781 981 L HA 0.238 4.579 4.340 0.001 0.000 0.245 981 L C 2.005 178.881 176.870 0.010 0.000 1.118 981 L CA 1.054 55.881 54.840 -0.021 0.000 0.918 981 L CB 0.270 42.295 42.059 -0.057 0.000 1.246 981 L HN 0.386 nan 8.230 nan 0.000 0.526 982 S N -3.753 111.963 115.700 0.027 0.000 2.557 982 S HA 0.132 4.603 4.470 0.001 0.000 0.223 982 S C 1.174 175.833 174.600 0.098 0.000 0.969 982 S CA 0.408 58.654 58.200 0.077 0.000 0.927 982 S CB 0.038 63.310 63.200 0.120 0.000 0.806 982 S HN 0.233 nan 8.310 nan 0.000 0.489 983 T N 1.681 116.247 114.554 0.019 0.000 3.026 983 T HA 0.408 4.759 4.350 0.001 0.000 0.245 983 T C 0.544 175.091 174.700 -0.256 0.000 1.004 983 T CA -0.234 61.816 62.100 -0.084 0.000 1.069 983 T CB -0.090 68.749 68.868 -0.047 0.000 1.005 983 T HN 0.269 nan 8.240 nan 0.000 0.472 984 L N 3.333 124.387 121.223 -0.281 0.000 2.483 984 L HA 0.175 4.516 4.340 0.001 0.000 0.277 984 L C -1.933 174.817 176.870 -0.200 0.000 1.248 984 L CA -1.668 52.938 54.840 -0.390 0.000 0.825 984 L CB -0.183 41.609 42.059 -0.446 0.000 1.096 984 L HN 0.047 nan 8.230 nan 0.000 0.512 985 P HA -0.012 nan 4.420 nan 0.000 0.262 985 P C -0.428 176.942 177.300 0.118 0.000 1.182 985 P CA -0.198 62.850 63.100 -0.087 0.000 0.761 985 P CB 0.570 32.181 31.700 -0.148 0.000 0.795 986 S N 1.938 117.688 115.700 0.083 0.000 2.598 986 S HA 0.210 4.680 4.470 0.001 0.000 0.256 986 S C 1.867 176.600 174.600 0.222 0.000 1.350 986 S CA 0.378 58.648 58.200 0.117 0.000 0.984 986 S CB -0.028 63.169 63.200 -0.005 0.000 0.930 986 S HN 0.527 nan 8.310 nan 0.000 0.577 987 K N 1.022 121.363 120.400 -0.099 0.000 2.044 987 K HA -0.149 4.172 4.320 0.001 0.000 0.210 987 K C 2.617 179.109 176.600 -0.179 0.000 1.049 987 K CA 2.468 58.551 56.287 -0.340 0.000 0.927 987 K CB -1.938 29.989 32.500 -0.955 0.000 0.713 987 K HN 1.013 nan 8.250 nan 0.000 0.443 988 S N 0.259 115.764 115.700 -0.324 0.000 2.414 988 S HA -0.145 4.326 4.470 0.001 0.000 0.227 988 S C 2.248 176.667 174.600 -0.302 0.000 1.022 988 S CA 1.045 58.990 58.200 -0.426 0.000 0.958 988 S CB -0.077 62.743 63.200 -0.633 0.000 0.797 988 S HN 0.708 nan 8.310 nan 0.000 0.493 989 Q N 1.460 121.168 119.800 -0.153 0.000 2.016 989 Q HA 0.058 4.399 4.340 0.001 0.000 0.200 989 Q C 2.616 178.558 176.000 -0.096 0.000 0.978 989 Q CA 1.419 57.163 55.803 -0.099 0.000 0.833 989 Q CB -0.569 28.138 28.738 -0.052 0.000 0.895 989 Q HN 0.739 nan 8.270 nan 0.000 0.427 990 A N 1.055 123.876 122.820 0.002 0.000 2.024 990 A HA -0.121 4.200 4.320 0.001 0.000 0.220 990 A C 2.221 179.778 177.584 -0.045 0.000 1.164 990 A CA 1.563 53.609 52.037 0.015 0.000 0.643 990 A CB -0.577 18.541 19.000 0.196 0.000 0.806 990 A HN 0.401 nan 8.150 nan 0.000 0.451 991 A N -0.441 122.284 122.820 -0.157 0.000 1.897 991 A HA 0.147 4.467 4.320 0.001 0.000 0.215 991 A C 2.351 179.692 177.584 -0.405 0.000 1.181 991 A CA 2.259 54.073 52.037 -0.372 0.000 0.620 991 A CB -0.798 17.716 19.000 -0.810 0.000 0.821 991 A HN 0.674 nan 8.150 nan 0.000 0.443 992 K N -0.245 119.938 120.400 -0.363 0.000 2.280 992 K HA 0.212 4.533 4.320 0.001 0.000 0.202 992 K C 2.178 178.746 176.600 -0.053 0.000 1.047 992 K CA 1.843 58.046 56.287 -0.140 0.000 0.942 992 K CB -1.212 31.241 32.500 -0.078 0.000 0.739 992 K HN 0.794 nan 8.250 nan 0.000 0.457 993 A N 1.044 123.819 122.820 -0.075 0.000 1.823 993 A HA 0.121 4.442 4.320 0.001 0.000 0.214 993 A C 2.288 179.909 177.584 0.061 0.000 1.225 993 A CA 1.442 53.449 52.037 -0.050 0.000 0.604 993 A CB -0.416 18.521 19.000 -0.106 0.000 0.878 993 A HN 0.365 nan 8.150 nan 0.000 0.450 994 I N 0.740 121.383 120.570 0.121 0.000 2.143 994 I HA -0.370 3.801 4.170 0.001 0.000 0.245 994 I C 2.889 179.117 176.117 0.184 0.000 1.068 994 I CA 1.720 63.193 61.300 0.287 0.000 1.326 994 I CB -0.796 37.392 38.000 0.314 0.000 1.028 994 I HN 0.373 nan 8.210 nan 0.000 0.412 995 A N -0.457 122.423 122.820 0.101 0.000 1.873 995 A HA -0.274 4.046 4.320 0.001 0.000 0.218 995 A C 2.434 180.083 177.584 0.108 0.000 1.193 995 A CA 2.880 54.978 52.037 0.101 0.000 0.629 995 A CB -1.409 17.702 19.000 0.185 0.000 0.826 995 A HN 0.466 nan 8.150 nan 0.000 0.447 996 T N -0.355 114.256 114.554 0.096 0.000 2.674 996 T HA -0.120 4.231 4.350 0.001 0.000 0.265 996 T C 1.890 176.662 174.700 0.120 0.000 1.039 996 T CA 1.622 63.775 62.100 0.089 0.000 1.150 996 T CB -0.601 68.299 68.868 0.054 0.000 0.864 996 T HN 0.145 nan 8.240 nan 0.000 0.427 997 V N 0.673 120.690 119.914 0.171 0.000 2.332 997 V HA -0.201 3.919 4.120 0.001 0.000 0.248 997 V C 2.044 178.256 176.094 0.196 0.000 1.055 997 V CA 1.719 64.172 62.300 0.254 0.000 1.038 997 V CB -0.816 31.265 31.823 0.429 0.000 0.651 997 V HN 0.517 nan 8.190 nan 0.000 0.450 998 Y N 0.783 121.042 120.300 -0.068 0.000 2.128 998 Y HA -0.265 4.286 4.550 0.001 0.000 0.284 998 Y C 2.273 178.059 175.900 -0.189 0.000 1.154 998 Y CA 2.083 59.906 58.100 -0.461 0.000 1.149 998 Y CB -0.175 37.812 38.460 -0.789 0.000 0.976 998 Y HN 0.204 nan 8.280 nan 0.000 0.505 999 I N -0.583 120.002 120.570 0.025 0.000 2.315 999 I HA -0.276 3.894 4.170 0.001 0.000 0.248 999 I C 2.146 178.256 176.117 -0.012 0.000 1.117 999 I CA 0.599 61.900 61.300 0.001 0.000 1.404 999 I CB -0.499 37.530 38.000 0.047 0.000 1.071 999 I HN 0.275 nan 8.210 nan 0.000 0.419 1000 L N 0.874 122.112 121.223 0.025 0.000 2.083 1000 L HA -0.132 4.209 4.340 0.001 0.000 0.209 1000 L C 2.040 178.851 176.870 -0.098 0.000 1.083 1000 L CA 2.171 57.030 54.840 0.032 0.000 0.752 1000 L CB -1.410 40.694 42.059 0.075 0.000 0.899 1000 L HN 0.434 nan 8.230 nan 0.000 0.433 1001 T N -3.329 111.152 114.554 -0.123 0.000 3.260 1001 T HA 0.168 4.519 4.350 0.001 0.000 0.254 1001 T C 0.311 174.943 174.700 -0.114 0.000 0.951 1001 T CA -0.416 61.581 62.100 -0.173 0.000 0.918 1001 T CB 0.078 68.941 68.868 -0.009 0.000 1.098 1001 T HN -0.157 nan 8.240 nan 0.000 0.563 1002 K N 1.511 121.841 120.400 -0.118 0.000 2.263 1002 K HA 0.547 4.867 4.320 0.001 0.000 0.272 1002 K C -0.950 175.700 176.600 0.083 0.000 1.033 1002 K CA -1.193 55.046 56.287 -0.081 0.000 0.884 1002 K CB 0.115 32.523 32.500 -0.153 0.000 1.107 1002 K HN 0.253 nan 8.250 nan 0.000 0.460 1003 F N 1.974 122.049 119.950 0.209 0.000 2.418 1003 F HA 0.193 4.720 4.527 0.001 0.000 0.341 1003 F C 1.264 177.125 175.800 0.102 0.000 1.120 1003 F CA -0.094 58.010 58.000 0.172 0.000 1.232 1003 F CB 1.098 40.176 39.000 0.129 0.000 1.175 1003 F HN 0.560 nan 8.300 nan 0.000 0.569 1004 S N 0.947 116.814 115.700 0.279 0.000 2.713 1004 S HA 0.481 4.952 4.470 0.001 0.000 0.283 1004 S C 0.825 175.501 174.600 0.127 0.000 1.161 1004 S CA -0.210 58.074 58.200 0.140 0.000 0.999 1004 S CB 1.489 64.718 63.200 0.048 0.000 1.039 1004 S HN 0.735 nan 8.310 nan 0.000 0.548 1005 E N 0.743 120.992 120.200 0.081 0.000 2.072 1005 E HA -0.127 4.224 4.350 0.001 0.000 0.191 1005 E C 1.114 177.746 176.600 0.052 0.000 0.985 1005 E CA 1.394 57.833 56.400 0.064 0.000 0.801 1005 E CB -1.153 28.575 29.700 0.046 0.000 0.750 1005 E HN 0.926 nan 8.360 nan 0.000 0.452 1006 D N 0.388 120.810 120.400 0.038 0.000 2.652 1006 D HA 0.113 4.754 4.640 0.001 0.000 0.247 1006 D C 0.033 176.344 176.300 0.019 0.000 1.232 1006 D CA 0.024 54.039 54.000 0.025 0.000 0.863 1006 D CB -0.144 40.664 40.800 0.014 0.000 1.023 1006 D HN 0.355 nan 8.370 nan 0.000 0.474 1007 E N 0.590 120.804 120.200 0.023 0.000 2.319 1007 E HA 0.424 4.775 4.350 0.001 0.000 0.268 1007 E C -0.513 176.016 176.600 -0.120 0.000 1.050 1007 E CA -0.474 55.884 56.400 -0.071 0.000 0.878 1007 E CB 0.888 30.523 29.700 -0.109 0.000 1.066 1007 E HN 0.110 nan 8.360 nan 0.000 0.406 1008 R N 2.211 122.541 120.500 -0.284 0.000 2.686 1008 R HA 0.417 4.758 4.340 0.001 0.000 0.283 1008 R C -1.077 174.972 176.300 -0.419 0.000 0.978 1008 R CA -0.752 55.240 56.100 -0.179 0.000 0.897 1008 R CB 1.213 31.451 30.300 -0.103 0.000 1.192 1008 R HN 0.483 nan 8.270 nan 0.000 0.457 1009 Y N 0.714 120.946 120.300 -0.112 0.000 2.631 1009 Y HA 0.205 4.756 4.550 0.001 0.000 0.328 1009 Y C 1.329 177.139 175.900 -0.150 0.000 1.118 1009 Y CA -1.009 57.023 58.100 -0.114 0.000 1.206 1009 Y CB 0.332 38.702 38.460 -0.151 0.000 1.337 1009 Y HN 0.374 nan 8.280 nan 0.000 0.515 1010 L N 1.511 122.762 121.223 0.046 0.000 2.107 1010 L HA -0.312 4.028 4.340 0.001 0.000 0.242 1010 L C 2.149 178.842 176.870 -0.296 0.000 1.115 1010 L CA 2.638 57.457 54.840 -0.035 0.000 0.842 1010 L CB -1.385 40.666 42.059 -0.012 0.000 0.941 1010 L HN 0.974 nan 8.230 nan 0.000 0.448 1011 G N -0.850 107.715 108.800 -0.391 0.000 2.721 1011 G HA2 -0.380 3.581 3.960 0.001 0.000 0.218 1011 G HA3 -0.380 3.581 3.960 0.001 0.000 0.218 1011 G C 0.728 175.224 174.900 -0.673 0.000 1.265 1011 G CA 0.750 45.502 45.100 -0.581 0.000 0.796 1011 G HN 0.692 nan 8.290 nan 0.000 0.620 1012 N N 0.012 118.484 118.700 -0.380 0.000 1.935 1012 N HA -0.150 4.591 4.740 0.001 0.000 0.304 1012 N C -0.603 174.738 175.510 -0.282 0.000 1.286 1012 N CA 0.678 53.572 53.050 -0.259 0.000 0.798 1012 N CB -0.024 38.395 38.487 -0.112 0.000 1.028 1012 N HN 0.296 nan 8.380 nan 0.000 0.494 1013 Y N 0.660 120.945 120.300 -0.025 0.000 2.825 1013 Y HA 0.161 4.712 4.550 0.001 0.000 0.259 1013 Y C 1.783 177.658 175.900 -0.040 0.000 1.113 1013 Y CA -0.530 57.564 58.100 -0.010 0.000 1.241 1013 Y CB -0.451 38.078 38.460 0.114 0.000 1.331 1013 Y HN 0.469 nan 8.280 nan 0.000 0.570 1014 S N 0.900 116.656 115.700 0.093 0.000 2.421 1014 S HA -0.232 4.239 4.470 0.001 0.000 0.239 1014 S C 1.542 176.141 174.600 -0.002 0.000 1.054 1014 S CA 1.655 59.891 58.200 0.060 0.000 1.035 1014 S CB -0.185 63.042 63.200 0.045 0.000 0.840 1014 S HN 0.408 nan 8.310 nan 0.000 0.475 1015 A N 1.650 124.358 122.820 -0.186 0.000 3.154 1015 A HA 0.526 4.846 4.320 0.001 0.000 0.310 1015 A C 0.387 177.220 177.584 -1.252 0.000 1.093 1015 A CA -0.634 50.984 52.037 -0.699 0.000 1.006 1015 A CB 0.008 18.813 19.000 -0.325 0.000 1.084 1015 A HN 0.356 nan 8.150 nan 0.000 0.549 1016 T N -3.436 110.618 114.554 -0.833 0.000 2.924 1016 T HA 0.735 5.086 4.350 0.001 0.000 0.291 1016 T C 1.108 175.590 174.700 -0.363 0.000 1.045 1016 T CA -0.064 61.672 62.100 -0.606 0.000 1.015 1016 T CB 1.742 70.434 68.868 -0.294 0.000 1.103 1016 T HN 0.552 nan 8.240 nan 0.000 0.496 1017 A N 0.586 123.231 122.820 -0.292 0.000 1.836 1017 A HA 0.211 4.531 4.320 0.001 0.000 0.212 1017 A C 0.351 177.976 177.584 0.068 0.000 1.243 1017 A CA 0.242 52.249 52.037 -0.050 0.000 0.620 1017 A CB -1.787 17.116 19.000 -0.160 0.000 0.889 1017 A HN 1.007 nan 8.150 nan 0.000 0.463 1018 W N -0.703 120.598 121.300 0.002 0.000 3.156 1018 W HA -0.166 4.495 4.660 0.001 0.000 0.437 1018 W C 0.619 177.175 176.519 0.062 0.000 1.846 1018 W CA 0.263 57.624 57.345 0.026 0.000 0.473 1018 W CB -0.081 29.389 29.460 0.016 0.000 2.860 1018 W HN 0.579 nan 8.180 nan 0.000 0.445 1019 E N 1.119 121.542 120.200 0.373 0.000 2.354 1019 E HA -0.073 4.278 4.350 0.001 0.000 0.203 1019 E C 0.910 177.615 176.600 0.174 0.000 0.841 1019 E CA 0.296 56.823 56.400 0.211 0.000 1.046 1019 E CB -0.422 29.353 29.700 0.125 0.000 1.040 1019 E HN 0.471 nan 8.360 nan 0.000 0.504 1020 D N 1.885 122.419 120.400 0.223 0.000 2.581 1020 D HA -0.113 4.528 4.640 0.001 0.000 0.238 1020 D C 1.176 177.502 176.300 0.044 0.000 1.145 1020 D CA 0.924 54.998 54.000 0.123 0.000 0.866 1020 D CB 1.080 41.980 40.800 0.165 0.000 1.151 1020 D HN 0.046 nan 8.370 nan 0.000 0.500 1021 K N 4.456 124.858 120.400 0.003 0.000 2.034 1021 K HA -0.266 4.054 4.320 0.001 0.000 0.214 1021 K C 1.792 178.365 176.600 -0.044 0.000 1.051 1021 K CA 2.459 58.738 56.287 -0.014 0.000 0.931 1021 K CB -1.038 31.448 32.500 -0.024 0.000 0.715 1021 K HN 0.663 nan 8.250 nan 0.000 0.446 1022 D N -0.151 120.198 120.400 -0.085 0.000 2.116 1022 D HA -0.083 4.557 4.640 0.001 0.000 0.193 1022 D C 2.275 178.490 176.300 -0.142 0.000 0.998 1022 D CA 1.964 55.893 54.000 -0.119 0.000 0.836 1022 D CB -0.303 40.390 40.800 -0.178 0.000 0.951 1022 D HN 0.576 nan 8.370 nan 0.000 0.449 1023 A N 0.616 123.322 122.820 -0.190 0.000 1.859 1023 A HA -0.208 4.112 4.320 0.001 0.000 0.217 1023 A C 2.283 179.732 177.584 -0.225 0.000 1.198 1023 A CA 1.445 53.273 52.037 -0.348 0.000 0.629 1023 A CB -1.092 17.545 19.000 -0.604 0.000 0.830 1023 A HN 0.243 nan 8.150 nan 0.000 0.446 1024 L N -0.463 120.690 121.223 -0.116 0.000 2.034 1024 L HA -0.313 4.027 4.340 0.001 0.000 0.217 1024 L C 2.334 179.224 176.870 0.033 0.000 1.077 1024 L CA 1.912 56.752 54.840 -0.000 0.000 0.769 1024 L CB -1.015 41.068 42.059 0.040 0.000 0.890 1024 L HN 0.411 nan 8.230 nan 0.000 0.435 1025 D N 0.067 120.469 120.400 0.005 0.000 2.078 1025 D HA -0.174 4.466 4.640 0.001 0.000 0.193 1025 D C 2.245 178.585 176.300 0.066 0.000 0.990 1025 D CA 1.640 55.655 54.000 0.024 0.000 0.827 1025 D CB -0.184 40.612 40.800 -0.006 0.000 0.975 1025 D HN 0.338 nan 8.370 nan 0.000 0.451 1026 A N 1.253 124.093 122.820 0.033 0.000 1.903 1026 A HA -0.233 4.087 4.320 0.001 0.000 0.219 1026 A C 2.426 180.241 177.584 0.386 0.000 1.191 1026 A CA 1.441 53.537 52.037 0.098 0.000 0.638 1026 A CB -0.941 17.991 19.000 -0.114 0.000 0.823 1026 A HN 0.235 nan 8.150 nan 0.000 0.451 1027 I N -0.201 120.630 120.570 0.435 0.000 2.058 1027 I HA -0.331 3.839 4.170 0.001 0.000 0.235 1027 I C 2.280 178.570 176.117 0.289 0.000 1.053 1027 I CA 1.706 63.330 61.300 0.540 0.000 1.313 1027 I CB -0.711 37.530 38.000 0.401 0.000 1.039 1027 I HN 0.375 nan 8.210 nan 0.000 0.396 1028 N N 0.612 119.412 118.700 0.166 0.000 2.137 1028 N HA -0.230 4.511 4.740 0.001 0.000 0.190 1028 N C 1.930 177.490 175.510 0.083 0.000 1.017 1028 N CA 1.275 54.373 53.050 0.079 0.000 0.859 1028 N CB -0.434 38.086 38.487 0.055 0.000 1.002 1028 N HN 0.362 nan 8.380 nan 0.000 0.428 1029 R N 0.037 120.622 120.500 0.142 0.000 2.080 1029 R HA -0.145 4.195 4.340 0.001 0.000 0.236 1029 R C 2.150 178.561 176.300 0.185 0.000 1.137 1029 R CA 1.196 57.380 56.100 0.139 0.000 0.943 1029 R CB -0.432 29.958 30.300 0.150 0.000 0.846 1029 R HN 0.147 nan 8.270 nan 0.000 0.431 1030 F N 2.070 122.072 119.950 0.087 0.000 2.095 1030 F HA -0.238 4.289 4.527 0.001 0.000 0.298 1030 F C 2.043 177.798 175.800 -0.074 0.000 1.104 1030 F CA 1.800 59.812 58.000 0.020 0.000 1.232 1030 F CB -0.606 38.337 39.000 -0.095 0.000 0.987 1030 F HN 0.091 nan 8.300 nan 0.000 0.475 1031 Q N -0.400 119.224 119.800 -0.294 0.000 2.226 1031 Q HA -0.200 4.141 4.340 0.001 0.000 0.204 1031 Q C 1.739 177.594 176.000 -0.241 0.000 0.975 1031 Q CA 1.555 57.102 55.803 -0.426 0.000 0.866 1031 Q CB -0.335 28.235 28.738 -0.281 0.000 0.915 1031 Q HN 0.416 nan 8.270 nan 0.000 0.440 1032 D N 0.559 120.894 120.400 -0.109 0.000 2.117 1032 D HA -0.123 4.518 4.640 0.001 0.000 0.198 1032 D C 2.196 178.460 176.300 -0.059 0.000 0.982 1032 D CA 1.956 55.918 54.000 -0.064 0.000 0.828 1032 D CB -0.100 40.693 40.800 -0.013 0.000 0.967 1032 D HN 0.297 nan 8.370 nan 0.000 0.464 1033 K N 0.830 121.210 120.400 -0.034 0.000 2.057 1033 K HA -0.026 4.294 4.320 0.001 0.000 0.206 1033 K C 2.270 178.835 176.600 -0.057 0.000 1.050 1033 K CA 0.881 57.167 56.287 -0.001 0.000 0.935 1033 K CB -1.224 31.331 32.500 0.091 0.000 0.715 1033 K HN 0.183 nan 8.250 nan 0.000 0.439 1034 L N 0.239 121.357 121.223 -0.174 0.000 2.043 1034 L HA -0.248 4.092 4.340 0.001 0.000 0.212 1034 L C 2.908 179.694 176.870 -0.140 0.000 1.075 1034 L CA 2.025 56.741 54.840 -0.207 0.000 0.752 1034 L CB -0.337 41.473 42.059 -0.415 0.000 0.891 1034 L HN 0.600 nan 8.230 nan 0.000 0.432 1035 E N 0.435 120.553 120.200 -0.137 0.000 2.023 1035 E HA -0.272 4.079 4.350 0.001 0.000 0.196 1035 E C 1.696 178.256 176.600 -0.068 0.000 1.003 1035 E CA 1.969 58.307 56.400 -0.103 0.000 0.809 1035 E CB 0.023 29.667 29.700 -0.092 0.000 0.755 1035 E HN 0.396 nan 8.360 nan 0.000 0.449 1036 D N -0.082 120.289 120.400 -0.047 0.000 2.127 1036 D HA -0.221 4.419 4.640 0.001 0.000 0.190 1036 D C 1.903 178.193 176.300 -0.017 0.000 1.000 1036 D CA 2.042 56.028 54.000 -0.024 0.000 0.839 1036 D CB -0.104 40.692 40.800 -0.006 0.000 0.955 1036 D HN 0.214 nan 8.370 nan 0.000 0.446 1037 I N 0.002 120.566 120.570 -0.011 0.000 2.151 1037 I HA -0.322 3.849 4.170 0.001 0.000 0.243 1037 I C 2.480 178.590 176.117 -0.011 0.000 1.080 1037 I CA 1.061 62.365 61.300 0.006 0.000 1.339 1037 I CB -0.529 37.484 38.000 0.021 0.000 1.039 1037 I HN 0.040 nan 8.210 nan 0.000 0.409 1038 S N 0.664 116.341 115.700 -0.039 0.000 2.374 1038 S HA -0.283 4.188 4.470 0.001 0.000 0.227 1038 S C 2.362 176.931 174.600 -0.051 0.000 1.037 1038 S CA 2.404 60.570 58.200 -0.057 0.000 1.024 1038 S CB -0.281 62.866 63.200 -0.088 0.000 0.861 1038 S HN 0.483 nan 8.310 nan 0.000 0.456 1039 K N 0.857 121.230 120.400 -0.045 0.000 1.973 1039 K HA 0.063 4.384 4.320 0.001 0.000 0.210 1039 K C 2.434 179.018 176.600 -0.027 0.000 1.045 1039 K CA 2.152 58.415 56.287 -0.039 0.000 0.937 1039 K CB -1.913 30.566 32.500 -0.035 0.000 0.721 1039 K HN 0.641 nan 8.250 nan 0.000 0.438 1040 K N 1.023 121.414 120.400 -0.015 0.000 2.107 1040 K HA -0.092 4.229 4.320 0.001 0.000 0.211 1040 K C 2.282 178.880 176.600 -0.003 0.000 1.049 1040 K CA 1.938 58.223 56.287 -0.003 0.000 0.927 1040 K CB -1.037 31.469 32.500 0.009 0.000 0.714 1040 K HN 0.526 nan 8.250 nan 0.000 0.452 1041 I N 0.424 120.993 120.570 -0.002 0.000 2.226 1041 I HA -0.325 3.845 4.170 0.001 0.000 0.245 1041 I C 2.627 178.727 176.117 -0.028 0.000 1.100 1041 I CA 1.830 63.130 61.300 0.000 0.000 1.374 1041 I CB -0.115 37.889 38.000 0.008 0.000 1.057 1041 I HN 0.398 nan 8.210 nan 0.000 0.413 1042 K N 0.336 120.712 120.400 -0.040 0.000 2.057 1042 K HA -0.185 4.136 4.320 0.001 0.000 0.206 1042 K C 2.091 178.664 176.600 -0.044 0.000 1.050 1042 K CA 1.162 57.418 56.287 -0.052 0.000 0.935 1042 K CB -0.215 32.250 32.500 -0.058 0.000 0.715 1042 K HN 0.426 nan 8.250 nan 0.000 0.439 1043 Q N 0.622 120.403 119.800 -0.032 0.000 2.077 1043 Q HA -0.196 4.145 4.340 0.001 0.000 0.206 1043 Q C 2.299 178.282 176.000 -0.028 0.000 0.989 1043 Q CA 1.120 56.908 55.803 -0.025 0.000 0.853 1043 Q CB -0.234 28.496 28.738 -0.014 0.000 0.907 1043 Q HN 0.191 nan 8.270 nan 0.000 0.418 1044 R N 1.226 121.707 120.500 -0.031 0.000 2.112 1044 R HA -0.183 4.157 4.340 0.001 0.000 0.242 1044 R C 1.607 177.858 176.300 -0.083 0.000 1.137 1044 R CA 1.851 57.922 56.100 -0.049 0.000 0.944 1044 R CB -0.648 29.621 30.300 -0.051 0.000 0.857 1044 R HN 0.408 nan 8.270 nan 0.000 0.435 1045 N N 0.578 119.225 118.700 -0.088 0.000 2.120 1045 N HA -0.173 4.568 4.740 0.001 0.000 0.188 1045 N C 1.838 177.314 175.510 -0.057 0.000 1.024 1045 N CA 1.801 54.797 53.050 -0.090 0.000 0.852 1045 N CB -0.449 37.986 38.487 -0.086 0.000 1.003 1045 N HN 0.546 nan 8.380 nan 0.000 0.424 1046 E N 1.124 121.296 120.200 -0.046 0.000 2.492 1046 E HA -0.169 4.182 4.350 0.001 0.000 0.204 1046 E C 1.292 177.880 176.600 -0.018 0.000 1.073 1046 E CA 1.202 57.582 56.400 -0.032 0.000 0.887 1046 E CB -0.864 28.819 29.700 -0.029 0.000 0.813 1046 E HN 0.407 nan 8.360 nan 0.000 0.562 1047 N N -1.327 117.362 118.700 -0.018 0.000 2.160 1047 N HA 0.158 4.898 4.740 0.001 0.000 0.226 1047 N C -0.134 175.389 175.510 0.020 0.000 1.256 1047 N CA 0.008 53.059 53.050 0.002 0.000 0.890 1047 N CB 0.391 38.881 38.487 0.004 0.000 1.116 1047 N HN 0.487 nan 8.380 nan 0.000 0.517 1048 L N -2.193 119.038 121.223 0.013 0.000 2.409 1048 L HA 0.607 4.947 4.340 0.001 0.000 0.262 1048 L C 0.842 177.766 176.870 0.090 0.000 0.992 1048 L CA -0.687 54.193 54.840 0.067 0.000 0.817 1048 L CB 1.961 44.048 42.059 0.047 0.000 1.350 1048 L HN -0.087 nan 8.230 nan 0.000 0.411 1049 E N 1.701 121.999 120.200 0.164 0.000 2.187 1049 E HA -0.138 4.212 4.350 0.001 0.000 0.199 1049 E C -0.253 176.372 176.600 0.042 0.000 1.004 1049 E CA 1.569 58.053 56.400 0.140 0.000 0.813 1049 E CB 0.278 30.153 29.700 0.292 0.000 0.736 1049 E HN 0.543 nan 8.360 nan 0.000 0.468 1050 V N 2.651 122.635 119.914 0.117 0.000 2.516 1050 V HA 0.219 4.339 4.120 0.001 0.000 0.271 1050 V C -2.449 173.722 176.094 0.128 0.000 0.992 1050 V CA -1.445 60.861 62.300 0.010 0.000 0.857 1050 V CB 1.404 33.111 31.823 -0.192 0.000 1.047 1050 V HN 0.157 nan 8.190 nan 0.000 0.455 1051 P HA -0.080 nan 4.420 nan 0.000 0.261 1051 P C -0.951 176.366 177.300 0.029 0.000 1.183 1051 P CA 0.168 63.260 63.100 -0.014 0.000 0.761 1051 P CB 0.522 32.177 31.700 -0.075 0.000 0.785 1052 Y N 5.482 125.732 120.300 -0.084 0.000 2.535 1052 Y HA 0.250 4.801 4.550 0.001 0.000 0.349 1052 Y C 1.312 177.118 175.900 -0.157 0.000 0.992 1052 Y CA -0.554 57.531 58.100 -0.025 0.000 1.248 1052 Y CB -0.073 38.496 38.460 0.182 0.000 1.124 1052 Y HN 0.336 nan 8.280 nan 0.000 0.520 1053 I N 1.781 121.936 120.570 -0.693 0.000 4.025 1053 I HA 0.125 4.296 4.170 0.001 0.000 0.336 1053 I C 0.011 175.782 176.117 -0.577 0.000 1.390 1053 I CA -0.105 60.870 61.300 -0.541 0.000 1.099 1053 I CB -0.155 37.604 38.000 -0.401 0.000 1.049 1053 I HN 0.433 nan 8.210 nan 0.000 0.394 1054 Y N 1.159 121.159 120.300 -0.500 0.000 2.439 1054 Y HA 0.139 4.690 4.550 0.001 0.000 0.292 1054 Y C 1.708 177.520 175.900 -0.147 0.000 1.130 1054 Y CA 0.657 58.585 58.100 -0.286 0.000 1.254 1054 Y CB 0.022 38.306 38.460 -0.293 0.000 1.000 1054 Y HN 0.223 nan 8.280 nan 0.000 0.554 1055 L N 0.480 121.648 121.223 -0.092 0.000 2.872 1055 L HA 0.220 4.561 4.340 0.001 0.000 0.245 1055 L C -0.431 176.464 176.870 0.042 0.000 1.211 1055 L CA -0.152 54.738 54.840 0.084 0.000 1.013 1055 L CB 0.101 42.301 42.059 0.235 0.000 1.326 1055 L HN 0.128 nan 8.230 nan 0.000 0.525 1056 L N 1.413 122.616 121.223 -0.034 0.000 2.360 1056 L HA 0.118 4.459 4.340 0.001 0.000 0.276 1056 L C -1.044 175.798 176.870 -0.047 0.000 1.121 1056 L CA -1.451 53.355 54.840 -0.057 0.000 0.845 1056 L CB 0.959 42.947 42.059 -0.117 0.000 1.143 1056 L HN -0.099 nan 8.230 nan 0.000 0.452 1057 P HA -0.262 nan 4.420 nan 0.000 0.219 1057 P C 0.663 177.916 177.300 -0.079 0.000 1.158 1057 P CA 1.281 64.349 63.100 -0.054 0.000 0.895 1057 P CB 0.032 31.669 31.700 -0.105 0.000 0.792 1058 E N -0.220 119.856 120.200 -0.207 0.000 2.301 1058 E HA -0.047 4.304 4.350 0.001 0.000 0.195 1058 E C 0.691 176.856 176.600 -0.725 0.000 1.171 1058 E CA 0.352 56.473 56.400 -0.464 0.000 1.142 1058 E CB -0.480 28.947 29.700 -0.455 0.000 1.218 1058 E HN 0.341 nan 8.360 nan 0.000 0.448 1059 R N 0.053 120.396 120.500 -0.263 0.000 2.532 1059 R HA 0.347 4.688 4.340 0.001 0.000 0.312 1059 R C 0.313 176.755 176.300 0.236 0.000 0.923 1059 R CA -0.197 55.820 56.100 -0.137 0.000 1.115 1059 R CB 0.557 30.792 30.300 -0.107 0.000 1.703 1059 R HN 0.077 nan 8.270 nan 0.000 0.498 1060 I N 3.904 124.650 120.570 0.293 0.000 2.287 1060 I HA 0.277 4.448 4.170 0.001 0.000 0.290 1060 I C -2.394 173.860 176.117 0.229 0.000 1.069 1060 I CA -2.227 59.225 61.300 0.252 0.000 1.237 1060 I CB 0.828 38.934 38.000 0.178 0.000 1.418 1060 I HN -0.386 nan 8.210 nan 0.000 0.481 1061 P HA 0.062 nan 4.420 nan 0.000 0.269 1061 P C 0.451 177.766 177.300 0.025 0.000 1.215 1061 P CA -0.146 62.875 63.100 -0.131 0.000 0.780 1061 P CB 0.564 32.294 31.700 0.049 0.000 0.898 1062 N N 0.379 119.041 118.700 -0.063 0.000 2.348 1062 N HA -0.077 4.663 4.740 0.001 0.000 0.185 1062 N C 1.056 176.620 175.510 0.090 0.000 1.019 1062 N CA 1.276 54.302 53.050 -0.040 0.000 0.880 1062 N CB -0.061 38.291 38.487 -0.225 0.000 0.965 1062 N HN 0.553 nan 8.380 nan 0.000 0.437 1063 G N -1.759 107.087 108.800 0.078 0.000 2.846 1063 G HA2 0.329 4.289 3.960 0.001 0.000 0.299 1063 G HA3 0.329 4.289 3.960 0.001 0.000 0.299 1063 G C -1.354 173.571 174.900 0.043 0.000 1.242 1063 G CA -0.264 44.872 45.100 0.059 0.000 0.800 1063 G HN -0.051 nan 8.290 nan 0.000 0.538 1064 T N 1.102 115.594 114.554 -0.103 0.000 2.963 1064 T HA 0.536 4.887 4.350 0.001 0.000 0.343 1064 T C 0.674 175.249 174.700 -0.208 0.000 1.146 1064 T CA 0.462 62.330 62.100 -0.386 0.000 1.016 1064 T CB 0.994 69.516 68.868 -0.577 0.000 1.046 1064 T HN 0.842 nan 8.240 nan 0.000 0.496 1065 A N 3.988 126.805 122.820 -0.005 0.000 2.348 1065 A HA 0.615 4.936 4.320 0.001 0.000 0.224 1065 A C 0.542 178.311 177.584 0.308 0.000 1.227 1065 A CA 0.140 52.278 52.037 0.169 0.000 0.885 1065 A CB -0.013 19.130 19.000 0.238 0.000 0.933 1065 A HN 0.745 nan 8.150 nan 0.000 0.506 1066 I N 0.000 120.775 120.570 0.342 0.000 2.984 1066 I HA 0.000 4.171 4.170 0.001 0.000 0.288 1066 I CA 0.000 61.571 61.300 0.451 0.000 1.566 1066 I CB 0.000 38.185 38.000 0.308 0.000 1.214 1066 I HN 0.000 nan 8.210 nan 0.000 0.494