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 3mi6_1_A DATA FIRST_RESID 2 DATA SEQUENCE SIHVNEANLT FHLQTDHTSY IFQIXKNGEA GQIYYGPRIH VQPTYQNLXS DATA SEQUENCE QEWRDATPSL NEENPNFQPA TIKAEYASLG KGDFRQPAFQ VTQANGSRIT DATA SEQUENCE ELTYDHYQLL TGKQRLANLP STFDDTDDDA QTLVVSFNDR ITGLALDLNY DATA SEQUENCE SIFPHQDVIV KSAKFTNPSS EKLVLNRALS SQLDLPDANY DLIQFSGTWA DATA SEQUENCE RERHLYRHPL RPGXQSISSL RXASSHQQNP FXXLARPQTT DEQGAVFGFN DATA SEQUENCE LVYSGNFLDA IEVDQYSTSR ILTGINPDEF GWNLAPQATF QTPEAILSYT DATA SEQUENCE SAGXNQLSQQ XASFYQQHLV NPRFAHEERP VLINNWEATY FDFNEAKLXT DATA SEQUENCE IVNQAKRLGI EXFVLDDGWF GHRDDDTTSL GDWFVDQRKF PDGIEHFSQA DATA SEQUENCE VHQQGXKFGL WFEPEXVSVD SDLYQQHPDW LIHAPKSTPT PGRHQFVLDX DATA SEQUENCE ARPEVVDYLF KLXSQXIESA NLDYIKWDXN RYATEXFSSR LTSDQQLELP DATA SEQUENCE HRYILGVYQL YARLTQAYPN VLFESCASGG GRFDLGXXYY APQAWTSDDT DATA SEQUENCE DAAERLLIQF GTSYGYPQAX XGAHVSAVPN DQXGRITSLK TRGAVAFFGD DATA SEQUENCE LGYELDITKX APTELDQVKK QVAFYKCYRQ LFQFGKFYRI DSPFVEDGNV DATA SEQUENCE TSWQVVSDDQ KQAIAARYQL LNHPNAPYTR FYFKGLRPNQ RYQINDDPST DATA SEQUENCE YYGDELXNAG YFVPTILADG QESKDFYTQL FVVTAILEHH HH 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.567 174.600 -0.056 0.000 1.055 2 S CA 0.000 58.148 58.200 -0.086 0.000 1.107 2 S CB 0.000 63.088 63.200 -0.186 0.000 0.593 3 I N 2.358 122.834 120.570 -0.156 0.000 2.315 3 I HA 0.369 4.540 4.170 0.001 0.000 0.291 3 I C -0.367 175.614 176.117 -0.227 0.000 1.006 3 I CA -0.379 60.876 61.300 -0.075 0.000 1.265 3 I CB 0.683 38.661 38.000 -0.038 0.000 1.387 3 I HN 0.539 nan 8.210 nan 0.000 0.475 4 H N 6.026 125.055 119.070 -0.068 0.000 2.511 4 H HA 0.438 4.994 4.556 0.001 0.000 0.328 4 H C -0.801 174.419 175.328 -0.181 0.000 1.044 4 H CA -0.683 55.297 56.048 -0.112 0.000 1.212 4 H CB 2.146 31.824 29.762 -0.139 0.000 1.428 4 H HN 0.226 nan 8.280 nan 0.000 0.483 5 V N 3.327 123.132 119.914 -0.182 0.000 2.513 5 V HA 0.112 4.233 4.120 0.001 0.000 0.299 5 V C 0.265 176.143 176.094 -0.359 0.000 1.035 5 V CA -0.896 61.121 62.300 -0.472 0.000 0.889 5 V CB 1.802 33.211 31.823 -0.690 0.000 0.988 5 V HN 0.686 nan 8.190 nan 0.000 0.440 6 N N 2.342 120.776 118.700 -0.443 0.000 2.609 6 N HA 0.262 5.003 4.740 0.001 0.000 0.234 6 N C 0.820 176.146 175.510 -0.307 0.000 1.001 6 N CA -0.292 52.587 53.050 -0.285 0.000 0.926 6 N CB 1.070 39.422 38.487 -0.224 0.000 1.130 6 N HN 0.680 nan 8.380 nan 0.000 0.510 7 E N 1.947 122.029 120.200 -0.196 0.000 2.110 7 E HA -0.189 4.162 4.350 0.001 0.000 0.193 7 E C 1.692 178.243 176.600 -0.081 0.000 0.988 7 E CA 1.426 57.760 56.400 -0.111 0.000 0.804 7 E CB 0.070 29.779 29.700 0.015 0.000 0.745 7 E HN 0.744 nan 8.360 nan 0.000 0.458 8 A N 0.960 123.736 122.820 -0.073 0.000 1.978 8 A HA -0.184 4.137 4.320 0.001 0.000 0.220 8 A C 1.741 179.287 177.584 -0.063 0.000 1.170 8 A CA 1.516 53.523 52.037 -0.050 0.000 0.636 8 A CB -0.162 18.811 19.000 -0.046 0.000 0.810 8 A HN 0.173 nan 8.150 nan 0.000 0.448 9 N N -1.372 117.261 118.700 -0.111 0.000 2.227 9 N HA 0.220 4.961 4.740 0.001 0.000 0.196 9 N C -0.028 175.392 175.510 -0.150 0.000 1.142 9 N CA 0.286 53.273 53.050 -0.105 0.000 0.887 9 N CB 0.544 38.971 38.487 -0.101 0.000 1.022 9 N HN 0.357 nan 8.380 nan 0.000 0.500 10 L N 1.509 122.574 121.223 -0.263 0.000 3.717 10 L HA -0.174 4.167 4.340 0.001 0.000 0.411 10 L C -0.822 175.771 176.870 -0.462 0.000 1.233 10 L CA 0.282 54.880 54.840 -0.405 0.000 0.917 10 L CB -2.287 39.626 42.059 -0.244 0.000 1.902 10 L HN 0.036 nan 8.230 nan 0.000 0.894 11 T N 0.358 114.609 114.554 -0.505 0.000 2.749 11 T HA 0.528 4.879 4.350 0.001 0.000 0.295 11 T C -0.249 174.019 174.700 -0.719 0.000 0.936 11 T CA 0.001 61.860 62.100 -0.402 0.000 1.060 11 T CB 0.457 69.228 68.868 -0.161 0.000 0.904 11 T HN 0.090 nan 8.240 nan 0.000 0.500 12 F N 2.895 122.511 119.950 -0.557 0.000 2.427 12 F HA 0.333 4.861 4.527 0.001 0.000 0.348 12 F C 0.555 176.071 175.800 -0.474 0.000 1.125 12 F CA -0.904 56.666 58.000 -0.718 0.000 0.989 12 F CB 1.097 39.202 39.000 -1.492 0.000 1.165 12 F HN 0.520 nan 8.300 nan 0.000 0.442 13 H N 4.915 123.907 119.070 -0.130 0.000 2.860 13 H HA 0.482 5.039 4.556 0.001 0.000 0.312 13 H C -1.580 173.794 175.328 0.076 0.000 0.995 13 H CA -0.984 55.064 56.048 -0.001 0.000 1.311 13 H CB 1.169 30.946 29.762 0.026 0.000 1.478 13 H HN 0.471 nan 8.280 nan 0.000 0.508 14 L N 4.714 126.145 121.223 0.346 0.000 2.275 14 L HA 0.357 4.697 4.340 0.001 0.000 0.288 14 L C 0.346 177.408 176.870 0.321 0.000 1.046 14 L CA -0.098 54.895 54.840 0.256 0.000 0.805 14 L CB 1.379 43.526 42.059 0.148 0.000 1.193 14 L HN 0.509 nan 8.230 nan 0.000 0.426 15 Q N 1.976 121.909 119.800 0.222 0.000 2.341 15 Q HA 0.463 4.804 4.340 0.001 0.000 0.268 15 Q C -0.055 175.993 176.000 0.080 0.000 1.013 15 Q CA -0.572 55.329 55.803 0.162 0.000 0.798 15 Q CB 2.162 30.937 28.738 0.062 0.000 1.253 15 Q HN 0.779 nan 8.270 nan 0.000 0.457 16 T N -1.598 113.008 114.554 0.087 0.000 2.771 16 T HA 0.113 4.464 4.350 0.001 0.000 0.290 16 T C 0.738 175.415 174.700 -0.039 0.000 1.005 16 T CA -0.521 61.594 62.100 0.024 0.000 0.944 16 T CB 0.582 69.498 68.868 0.080 0.000 1.147 16 T HN 0.345 nan 8.240 nan 0.000 0.534 17 D N 0.096 120.417 120.400 -0.130 0.000 2.190 17 D HA -0.087 4.554 4.640 0.001 0.000 0.200 17 D C 1.424 177.402 176.300 -0.536 0.000 0.992 17 D CA 1.793 55.581 54.000 -0.354 0.000 0.854 17 D CB -0.209 40.302 40.800 -0.481 0.000 0.936 17 D HN 0.817 nan 8.370 nan 0.000 0.462 18 H N -2.292 116.843 119.070 0.109 0.000 3.233 18 H HA 0.247 4.804 4.556 0.001 0.000 0.263 18 H C 0.161 175.582 175.328 0.155 0.000 1.168 18 H CA 0.127 56.248 56.048 0.122 0.000 1.159 18 H CB 0.872 30.703 29.762 0.115 0.000 1.593 18 H HN -0.001 nan 8.280 nan 0.000 0.580 19 T N -2.008 112.688 114.554 0.236 0.000 2.901 19 T HA 0.720 5.070 4.350 0.001 0.000 0.293 19 T C -0.281 174.572 174.700 0.254 0.000 1.084 19 T CA -0.912 61.333 62.100 0.241 0.000 1.008 19 T CB 2.561 71.610 68.868 0.302 0.000 1.170 19 T HN -0.024 nan 8.240 nan 0.000 0.509 20 S N 0.667 116.524 115.700 0.261 0.000 2.521 20 S HA 0.618 5.088 4.470 0.001 0.000 0.295 20 S C -1.989 172.737 174.600 0.210 0.000 1.098 20 S CA -0.681 57.698 58.200 0.298 0.000 0.999 20 S CB 1.042 64.478 63.200 0.392 0.000 1.034 20 S HN 0.724 nan 8.310 nan 0.000 0.483 21 Y N 3.626 123.934 120.300 0.013 0.000 2.326 21 Y HA 0.671 5.221 4.550 0.001 0.000 0.329 21 Y C -1.279 174.549 175.900 -0.121 0.000 0.973 21 Y CA -0.804 57.211 58.100 -0.141 0.000 1.162 21 Y CB 0.540 38.813 38.460 -0.311 0.000 1.147 21 Y HN 0.571 nan 8.280 nan 0.000 0.456 22 I N 8.280 128.720 120.570 -0.216 0.000 2.499 22 I HA 0.489 4.660 4.170 0.001 0.000 0.288 22 I C -1.251 174.836 176.117 -0.051 0.000 1.048 22 I CA -0.908 60.258 61.300 -0.223 0.000 1.062 22 I CB 1.600 39.310 38.000 -0.483 0.000 1.238 22 I HN 0.526 nan 8.210 nan 0.000 0.426 23 F N 3.477 123.396 119.950 -0.051 0.000 2.626 23 F HA 0.752 5.279 4.527 0.001 0.000 0.311 23 F C -1.077 174.786 175.800 0.104 0.000 1.088 23 F CA -0.742 57.255 58.000 -0.004 0.000 0.949 23 F CB 1.738 40.742 39.000 0.006 0.000 1.322 23 F HN 0.483 nan 8.300 nan 0.000 0.461 24 Q N 2.550 122.510 119.800 0.267 0.000 2.389 24 Q HA 0.539 4.879 4.340 0.001 0.000 0.277 24 Q C -1.469 174.677 176.000 0.242 0.000 1.082 24 Q CA -0.960 54.948 55.803 0.174 0.000 0.810 24 Q CB 2.523 31.322 28.738 0.102 0.000 1.374 24 Q HN 0.732 nan 8.270 nan 0.000 0.422 28 N N 1.012 119.675 118.700 -0.063 0.000 2.398 28 N HA 0.096 4.837 4.740 0.001 0.000 0.188 28 N C 1.186 176.757 175.510 0.102 0.000 1.122 28 N CA 1.513 54.528 53.050 -0.058 0.000 0.866 28 N CB 0.750 39.164 38.487 -0.122 0.000 0.970 28 N HN 0.502 nan 8.380 nan 0.000 0.462 29 G N -0.464 108.442 108.800 0.177 0.000 2.213 29 G HA2 -0.258 3.703 3.960 0.001 0.000 0.236 29 G HA3 -0.258 3.703 3.960 0.001 0.000 0.236 29 G C -0.253 174.873 174.900 0.375 0.000 0.991 29 G CA 0.140 45.399 45.100 0.264 0.000 0.629 29 G HN 0.492 nan 8.290 nan 0.000 0.517 30 E N 0.431 120.817 120.200 0.310 0.000 2.314 30 E HA 0.632 4.982 4.350 0.001 0.000 0.262 30 E C 0.626 177.422 176.600 0.327 0.000 1.093 30 E CA -0.176 56.401 56.400 0.294 0.000 0.908 30 E CB 1.222 31.029 29.700 0.178 0.000 1.091 30 E HN 0.601 nan 8.360 nan 0.000 0.425 31 A N 0.743 123.738 122.820 0.291 0.000 2.388 31 A HA 0.560 4.880 4.320 0.001 0.000 0.257 31 A C 0.122 177.826 177.584 0.199 0.000 1.095 31 A CA 0.129 52.346 52.037 0.299 0.000 0.791 31 A CB 0.589 19.744 19.000 0.259 0.000 1.029 31 A HN 0.562 nan 8.150 nan 0.000 0.489 32 G N 0.940 109.874 108.800 0.223 0.000 2.723 32 G HA2 0.487 4.448 3.960 0.001 0.000 0.295 32 G HA3 0.487 4.448 3.960 0.001 0.000 0.295 32 G C -0.657 174.328 174.900 0.142 0.000 1.464 32 G CA -0.516 44.668 45.100 0.140 0.000 1.012 32 G HN 0.883 nan 8.290 nan 0.000 0.522 33 Q N 2.293 122.135 119.800 0.070 0.000 2.313 33 Q HA 0.346 4.686 4.340 0.001 0.000 0.266 33 Q C 0.330 176.327 176.000 -0.006 0.000 0.989 33 Q CA 0.092 55.906 55.803 0.019 0.000 0.890 33 Q CB 0.828 29.534 28.738 -0.054 0.000 1.200 33 Q HN 0.509 nan 8.270 nan 0.000 0.396 34 I N 2.983 123.534 120.570 -0.031 0.000 2.900 34 I HA 0.183 4.354 4.170 0.001 0.000 0.251 34 I C -0.227 175.881 176.117 -0.015 0.000 1.102 34 I CA 0.047 61.320 61.300 -0.045 0.000 1.457 34 I CB 0.341 38.278 38.000 -0.105 0.000 1.285 34 I HN 0.651 nan 8.210 nan 0.000 0.459 35 Y N 0.268 120.422 120.300 -0.242 0.000 2.521 35 Y HA 0.485 5.036 4.550 0.001 0.000 0.332 35 Y C -2.072 173.736 175.900 -0.154 0.000 1.121 35 Y CA -1.503 56.476 58.100 -0.202 0.000 1.037 35 Y CB 1.394 39.690 38.460 -0.274 0.000 1.330 35 Y HN 0.045 nan 8.280 nan 0.000 0.452 36 Y N 4.853 124.516 120.300 -1.062 0.000 2.330 36 Y HA 0.742 5.293 4.550 0.001 0.000 0.324 36 Y C -0.604 174.759 175.900 -0.895 0.000 1.093 36 Y CA -0.479 57.061 58.100 -0.933 0.000 1.103 36 Y CB 1.543 39.702 38.460 -0.501 0.000 1.183 36 Y HN 1.000 nan 8.280 nan 0.000 0.433 37 G N 4.714 112.859 108.800 -1.090 0.000 2.435 37 G HA2 0.348 4.308 3.960 0.001 0.000 0.296 37 G HA3 0.348 4.308 3.960 0.001 0.000 0.296 37 G C -3.369 171.158 174.900 -0.622 0.000 1.240 37 G CA -1.087 43.399 45.100 -1.023 0.000 0.872 37 G HN 0.273 nan 8.290 nan 0.000 0.480 38 P HA 0.205 nan 4.420 nan 0.000 0.267 38 P C -0.013 177.418 177.300 0.219 0.000 1.200 38 P CA -0.125 63.015 63.100 0.067 0.000 0.772 38 P CB 0.416 32.205 31.700 0.149 0.000 0.855 39 R N 3.375 124.006 120.500 0.218 0.000 2.585 39 R HA 0.146 4.487 4.340 0.001 0.000 0.275 39 R C 0.237 176.669 176.300 0.220 0.000 1.018 39 R CA 0.303 56.541 56.100 0.230 0.000 1.072 39 R CB -0.390 30.002 30.300 0.155 0.000 0.953 39 R HN 0.539 nan 8.270 nan 0.000 0.419 40 I N -0.011 120.716 120.570 0.262 0.000 2.934 40 I HA 0.339 4.510 4.170 0.001 0.000 0.306 40 I C -0.815 175.444 176.117 0.236 0.000 1.110 40 I CA -1.296 60.138 61.300 0.225 0.000 1.019 40 I CB 1.817 39.895 38.000 0.131 0.000 1.227 40 I HN 0.580 nan 8.210 nan 0.000 0.434 41 H N 2.566 121.698 119.070 0.103 0.000 3.064 41 H HA 0.119 4.675 4.556 0.001 0.000 0.329 41 H C -0.161 175.224 175.328 0.094 0.000 1.020 41 H CA 0.405 56.477 56.048 0.039 0.000 1.402 41 H CB 0.472 30.241 29.762 0.010 0.000 1.379 41 H HN 0.387 nan 8.280 nan 0.000 0.594 42 V N 5.156 125.027 119.914 -0.072 0.000 2.599 42 V HA -0.023 4.098 4.120 0.001 0.000 0.300 42 V C 0.416 176.511 176.094 0.001 0.000 1.034 42 V CA 0.435 62.675 62.300 -0.100 0.000 1.115 42 V CB 0.427 31.990 31.823 -0.434 0.000 0.934 42 V HN 0.697 nan 8.190 nan 0.000 0.485 43 Q N 5.246 125.026 119.800 -0.033 0.000 2.451 43 Q HA 0.394 4.735 4.340 0.001 0.000 0.281 43 Q C -1.917 173.925 176.000 -0.264 0.000 1.099 43 Q CA -1.874 53.758 55.803 -0.284 0.000 0.806 43 Q CB 1.773 30.104 28.738 -0.678 0.000 1.419 43 Q HN 0.341 nan 8.270 nan 0.000 0.427 44 P HA -0.026 nan 4.420 nan 0.000 0.222 44 P C 0.000 177.190 177.300 -0.183 0.000 1.147 44 P CA 1.101 64.100 63.100 -0.168 0.000 0.790 44 P CB 0.496 32.115 31.700 -0.134 0.000 0.780 45 T N -2.709 111.664 114.554 -0.301 0.000 2.831 45 T HA 0.344 4.694 4.350 0.001 0.000 0.333 45 T C -2.055 172.392 174.700 -0.423 0.000 1.684 45 T CA -0.473 61.501 62.100 -0.211 0.000 1.049 45 T CB 0.326 69.128 68.868 -0.110 0.000 1.518 45 T HN -0.306 nan 8.240 nan 0.000 0.491 46 Y N 2.654 122.937 120.300 -0.028 0.000 2.638 46 Y HA 0.319 4.870 4.550 0.001 0.000 0.367 46 Y C 1.755 177.642 175.900 -0.023 0.000 1.001 46 Y CA -0.552 57.531 58.100 -0.028 0.000 1.133 46 Y CB 0.735 39.176 38.460 -0.032 0.000 1.199 46 Y HN 0.581 nan 8.280 nan 0.000 0.642 47 Q N 0.452 120.277 119.800 0.042 0.000 2.077 47 Q HA -0.278 4.063 4.340 0.001 0.000 0.206 47 Q C 1.847 177.872 176.000 0.041 0.000 0.989 47 Q CA 2.064 57.887 55.803 0.034 0.000 0.853 47 Q CB -0.045 28.694 28.738 0.003 0.000 0.907 47 Q HN 0.647 nan 8.270 nan 0.000 0.418 48 N N -0.020 118.703 118.700 0.039 0.000 2.104 48 N HA -0.115 4.626 4.740 0.001 0.000 0.190 48 N C 0.431 175.958 175.510 0.029 0.000 1.024 48 N CA 0.679 53.745 53.050 0.027 0.000 0.853 48 N CB -0.003 38.496 38.487 0.020 0.000 1.008 48 N HN 0.034 nan 8.380 nan 0.000 0.424 52 Q N 1.305 121.097 119.800 -0.013 0.000 2.353 52 Q HA 0.599 4.940 4.340 0.001 0.000 0.268 52 Q C -1.073 174.932 176.000 0.008 0.000 1.045 52 Q CA -0.715 55.070 55.803 -0.031 0.000 0.811 52 Q CB 2.427 31.144 28.738 -0.035 0.000 1.305 52 Q HN 0.581 nan 8.270 nan 0.000 0.447 53 E N 1.125 121.321 120.200 -0.007 0.000 2.312 53 E HA 0.262 4.612 4.350 0.001 0.000 0.267 53 E C -1.291 175.365 176.600 0.093 0.000 0.894 53 E CA -0.853 55.578 56.400 0.053 0.000 0.773 53 E CB 2.086 31.801 29.700 0.024 0.000 1.241 53 E HN 0.498 nan 8.360 nan 0.000 0.432 54 W N 3.120 124.411 121.300 -0.015 0.000 2.210 54 W HA 0.151 4.812 4.660 0.001 0.000 0.330 54 W C -0.924 175.593 176.519 -0.002 0.000 1.334 54 W CA 0.136 57.481 57.345 0.000 0.000 1.227 54 W CB 0.748 30.218 29.460 0.016 0.000 1.178 54 W HN 0.349 nan 8.180 nan 0.000 0.560 55 R N 4.256 124.254 120.500 -0.838 0.000 2.628 55 R HA 0.223 4.564 4.340 0.001 0.000 0.288 55 R C -0.336 175.301 176.300 -1.105 0.000 0.980 55 R CA -0.823 54.857 56.100 -0.701 0.000 0.891 55 R CB 1.385 31.489 30.300 -0.327 0.000 1.188 55 R HN 0.558 nan 8.270 nan 0.000 0.450 56 D N 1.035 121.103 120.400 -0.552 0.000 2.357 56 D HA 0.206 4.847 4.640 0.001 0.000 0.242 56 D C 0.428 176.616 176.300 -0.186 0.000 1.153 56 D CA 0.583 54.417 54.000 -0.277 0.000 0.918 56 D CB 0.961 41.784 40.800 0.040 0.000 1.181 56 D HN 0.586 nan 8.370 nan 0.000 0.435 57 A N 0.956 123.729 122.820 -0.078 0.000 2.822 57 A HA -0.167 4.154 4.320 0.001 0.000 0.287 57 A C 0.444 177.989 177.584 -0.065 0.000 1.479 57 A CA 1.589 53.601 52.037 -0.042 0.000 0.779 57 A CB -1.930 17.047 19.000 -0.037 0.000 1.022 57 A HN 0.483 nan 8.150 nan 0.000 0.532 58 T N -1.009 113.486 114.554 -0.098 0.000 2.916 58 T HA 0.631 4.982 4.350 0.001 0.000 0.305 58 T C -3.083 171.619 174.700 0.004 0.000 1.119 58 T CA -1.047 61.037 62.100 -0.027 0.000 1.008 58 T CB 1.428 70.281 68.868 -0.026 0.000 1.129 58 T HN 0.132 nan 8.240 nan 0.000 0.480 59 P HA 0.449 nan 4.420 nan 0.000 0.272 59 P C -0.999 176.373 177.300 0.120 0.000 1.230 59 P CA -0.353 62.822 63.100 0.125 0.000 0.788 59 P CB 0.565 32.361 31.700 0.159 0.000 0.949 60 S N 0.492 116.288 115.700 0.159 0.000 2.648 60 S HA 0.310 4.781 4.470 0.001 0.000 0.305 60 S C 1.118 175.828 174.600 0.183 0.000 1.094 60 S CA -0.790 57.533 58.200 0.205 0.000 0.983 60 S CB 1.059 64.422 63.200 0.272 0.000 1.101 60 S HN 0.395 nan 8.310 nan 0.000 0.514 61 L N 1.100 122.453 121.223 0.218 0.000 1.989 61 L HA -0.143 4.198 4.340 0.001 0.000 0.211 61 L C 0.354 177.254 176.870 0.050 0.000 1.071 61 L CA 1.920 56.817 54.840 0.096 0.000 0.749 61 L CB -0.302 41.700 42.059 -0.096 0.000 0.890 61 L HN 0.939 nan 8.230 nan 0.000 0.431 62 N N -4.251 114.490 118.700 0.068 0.000 3.413 62 N HA -0.038 4.703 4.740 0.001 0.000 0.273 62 N C -0.112 175.439 175.510 0.067 0.000 1.458 62 N CA -0.563 52.518 53.050 0.052 0.000 0.860 62 N CB 0.094 38.589 38.487 0.013 0.000 1.556 62 N HN -0.271 nan 8.380 nan 0.000 0.475 63 E N -0.140 120.089 120.200 0.048 0.000 2.347 63 E HA -0.045 4.305 4.350 0.001 0.000 0.196 63 E C 0.223 176.843 176.600 0.033 0.000 1.008 63 E CA 0.994 57.420 56.400 0.043 0.000 0.852 63 E CB -0.048 29.669 29.700 0.029 0.000 0.783 63 E HN 0.641 nan 8.360 nan 0.000 0.505 64 E N 0.423 120.640 120.200 0.028 0.000 2.442 64 E HA 0.054 4.404 4.350 0.001 0.000 0.195 64 E C 0.253 176.879 176.600 0.042 0.000 1.030 64 E CA 0.243 56.657 56.400 0.024 0.000 0.869 64 E CB 0.279 29.986 29.700 0.011 0.000 0.857 64 E HN 0.064 nan 8.360 nan 0.000 0.505 65 N N 0.349 119.089 118.700 0.066 0.000 2.642 65 N HA 0.093 4.834 4.740 0.001 0.000 0.308 65 N C -2.256 173.374 175.510 0.199 0.000 1.914 65 N CA -0.802 52.320 53.050 0.119 0.000 0.893 65 N CB 1.180 39.718 38.487 0.084 0.000 1.322 65 N HN 0.030 nan 8.380 nan 0.000 0.490 66 P HA -0.164 nan 4.420 nan 0.000 0.217 66 P C 0.581 178.159 177.300 0.463 0.000 1.151 66 P CA 1.475 64.757 63.100 0.305 0.000 0.849 66 P CB 0.229 32.005 31.700 0.127 0.000 0.787 67 N N -1.988 116.929 118.700 0.362 0.000 2.461 67 N HA -0.010 4.730 4.740 0.001 0.000 0.188 67 N C 0.010 175.663 175.510 0.238 0.000 1.134 67 N CA -0.304 52.951 53.050 0.341 0.000 0.878 67 N CB -0.289 38.348 38.487 0.250 0.000 0.972 67 N HN 0.070 nan 8.380 nan 0.000 0.456 68 F N 2.821 122.844 119.950 0.121 0.000 2.423 68 F HA 0.209 4.736 4.527 0.001 0.000 0.356 68 F C -0.420 175.418 175.800 0.063 0.000 1.170 68 F CA -0.409 57.637 58.000 0.076 0.000 1.163 68 F CB 0.088 39.131 39.000 0.072 0.000 1.318 68 F HN -0.117 nan 8.300 nan 0.000 0.569 69 Q N 7.638 127.420 119.800 -0.029 0.000 2.339 69 Q HA 0.254 4.594 4.340 0.001 0.000 0.268 69 Q C -1.960 173.986 176.000 -0.091 0.000 1.027 69 Q CA -1.903 53.900 55.803 -0.001 0.000 0.759 69 Q CB 1.884 30.586 28.738 -0.059 0.000 1.244 69 Q HN 0.355 nan 8.270 nan 0.000 0.464 70 P HA -0.218 nan 4.420 nan 0.000 0.220 70 P C 0.845 178.123 177.300 -0.037 0.000 1.144 70 P CA 1.177 64.257 63.100 -0.033 0.000 0.800 70 P CB 0.292 32.006 31.700 0.024 0.000 0.772 71 A N -0.605 122.218 122.820 0.005 0.000 2.070 71 A HA -0.102 4.218 4.320 0.001 0.000 0.220 71 A C 1.733 179.336 177.584 0.030 0.000 1.159 71 A CA 1.995 54.069 52.037 0.062 0.000 0.656 71 A CB -1.389 17.696 19.000 0.142 0.000 0.800 71 A HN 0.344 nan 8.150 nan 0.000 0.453 72 T N -2.999 111.502 114.554 -0.088 0.000 3.331 72 T HA 0.631 4.981 4.350 0.001 0.000 0.282 72 T C -0.151 174.442 174.700 -0.178 0.000 1.010 72 T CA -0.282 61.706 62.100 -0.187 0.000 0.928 72 T CB -0.537 68.121 68.868 -0.348 0.000 1.154 72 T HN 0.144 nan 8.240 nan 0.000 0.516 73 I N 1.697 122.181 120.570 -0.143 0.000 2.410 73 I HA 0.358 4.529 4.170 0.001 0.000 0.286 73 I C -0.227 175.838 176.117 -0.086 0.000 1.009 73 I CA -1.060 60.147 61.300 -0.156 0.000 1.111 73 I CB 2.102 39.952 38.000 -0.249 0.000 1.262 73 I HN -0.005 nan 8.210 nan 0.000 0.443 74 K N 5.365 125.726 120.400 -0.065 0.000 2.419 74 K HA 0.367 4.687 4.320 0.001 0.000 0.282 74 K C -0.017 176.571 176.600 -0.020 0.000 1.056 74 K CA -0.070 56.195 56.287 -0.037 0.000 1.035 74 K CB 0.652 33.132 32.500 -0.032 0.000 0.921 74 K HN 0.646 nan 8.250 nan 0.000 0.472 75 A N 2.533 125.346 122.820 -0.013 0.000 2.281 75 A HA 0.253 4.574 4.320 0.001 0.000 0.329 75 A C 0.540 178.136 177.584 0.021 0.000 1.122 75 A CA -0.499 51.544 52.037 0.010 0.000 0.850 75 A CB 1.070 20.071 19.000 0.002 0.000 1.207 75 A HN 0.754 nan 8.150 nan 0.000 0.495 76 E N -1.390 118.837 120.200 0.045 0.000 2.413 76 E HA 0.167 4.517 4.350 0.001 0.000 0.203 76 E C -1.209 175.473 176.600 0.138 0.000 0.957 76 E CA 0.599 57.030 56.400 0.051 0.000 0.950 76 E CB 0.273 29.963 29.700 -0.016 0.000 0.957 76 E HN 0.515 nan 8.360 nan 0.000 0.497 77 Y N -0.495 119.773 120.300 -0.052 0.000 2.719 77 Y HA 0.420 4.971 4.550 0.001 0.000 0.272 77 Y C -1.327 174.621 175.900 0.080 0.000 1.057 77 Y CA -0.487 57.600 58.100 -0.022 0.000 1.319 77 Y CB -0.107 38.270 38.460 -0.138 0.000 1.135 77 Y HN 0.042 nan 8.280 nan 0.000 0.533 78 A N 1.865 124.664 122.820 -0.035 0.000 2.340 78 A HA 0.690 5.011 4.320 0.001 0.000 0.268 78 A C 0.327 177.810 177.584 -0.168 0.000 1.100 78 A CA 0.202 52.215 52.037 -0.039 0.000 0.803 78 A CB 0.331 19.285 19.000 -0.076 0.000 1.043 78 A HN 0.726 nan 8.150 nan 0.000 0.488 79 S N 1.008 116.583 115.700 -0.208 0.000 2.669 79 S HA 0.616 5.087 4.470 0.001 0.000 0.270 79 S C -0.333 174.072 174.600 -0.325 0.000 1.225 79 S CA -0.593 57.322 58.200 -0.473 0.000 0.991 79 S CB 0.878 63.861 63.200 -0.362 0.000 0.987 79 S HN 1.114 nan 8.310 nan 0.000 0.552 80 L N 0.650 121.670 121.223 -0.338 0.000 2.307 80 L HA 0.734 5.075 4.340 0.001 0.000 0.284 80 L C 0.717 177.441 176.870 -0.244 0.000 1.023 80 L CA 1.229 55.905 54.840 -0.272 0.000 0.810 80 L CB 0.792 42.718 42.059 -0.223 0.000 1.231 80 L HN 1.139 nan 8.230 nan 0.000 0.423 81 G N 3.269 111.895 108.800 -0.289 0.000 2.229 81 G HA2 -0.180 3.780 3.960 0.001 0.000 0.189 81 G HA3 -0.180 3.780 3.960 0.001 0.000 0.189 81 G C 0.623 175.411 174.900 -0.187 0.000 1.000 81 G CA -0.021 44.947 45.100 -0.219 0.000 0.663 81 G HN 0.509 nan 8.290 nan 0.000 0.493 82 K N 0.554 120.837 120.400 -0.194 0.000 2.440 82 K HA 0.461 4.782 4.320 0.001 0.000 0.206 82 K C 1.539 178.066 176.600 -0.122 0.000 1.025 82 K CA 0.525 56.747 56.287 -0.109 0.000 1.135 82 K CB 1.051 33.525 32.500 -0.043 0.000 0.856 82 K HN 1.202 nan 8.250 nan 0.000 0.502 83 G N 1.311 109.939 108.800 -0.286 0.000 2.296 83 G HA2 -0.190 3.770 3.960 0.001 0.000 0.188 83 G HA3 -0.190 3.770 3.960 0.001 0.000 0.188 83 G C -0.382 174.317 174.900 -0.336 0.000 1.000 83 G CA -0.381 44.580 45.100 -0.232 0.000 0.672 83 G HN 0.326 nan 8.290 nan 0.000 0.483 84 D N -0.119 120.039 120.400 -0.404 0.000 2.232 84 D HA 0.636 5.276 4.640 0.001 0.000 0.242 84 D C 0.330 176.336 176.300 -0.489 0.000 1.093 84 D CA -0.648 53.188 54.000 -0.273 0.000 0.845 84 D CB 0.540 41.245 40.800 -0.159 0.000 1.124 84 D HN 0.037 nan 8.370 nan 0.000 0.467 85 F N 1.825 121.754 119.950 -0.034 0.000 2.654 85 F HA 0.305 4.833 4.527 0.001 0.000 0.303 85 F C 1.416 177.184 175.800 -0.053 0.000 1.099 85 F CA -0.521 57.453 58.000 -0.045 0.000 1.270 85 F CB 0.306 39.282 39.000 -0.041 0.000 1.024 85 F HN -0.024 nan 8.300 nan 0.000 0.548 86 R N 0.355 120.883 120.500 0.047 0.000 2.652 86 R HA 0.203 4.544 4.340 0.001 0.000 0.271 86 R C 0.431 176.704 176.300 -0.045 0.000 1.129 86 R CA -0.622 55.479 56.100 0.001 0.000 1.200 86 R CB 0.323 30.614 30.300 -0.014 0.000 1.146 86 R HN 0.036 nan 8.270 nan 0.000 0.581 87 Q N 1.870 121.636 119.800 -0.057 0.000 2.313 87 Q HA 0.152 4.493 4.340 0.001 0.000 0.266 87 Q C -2.077 173.852 176.000 -0.118 0.000 0.989 87 Q CA -1.382 54.371 55.803 -0.082 0.000 0.890 87 Q CB 0.814 29.504 28.738 -0.079 0.000 1.200 87 Q HN 0.320 nan 8.270 nan 0.000 0.396 88 P HA 0.152 nan 4.420 nan 0.000 0.279 88 P C -0.351 176.815 177.300 -0.224 0.000 1.252 88 P CA -0.188 62.779 63.100 -0.221 0.000 0.811 88 P CB 0.737 32.261 31.700 -0.293 0.000 1.035 89 A N 1.163 123.805 122.820 -0.297 0.000 2.072 89 A HA 0.255 4.575 4.320 0.001 0.000 0.216 89 A C 0.523 177.978 177.584 -0.216 0.000 1.156 89 A CA 1.032 52.843 52.037 -0.377 0.000 0.701 89 A CB -0.874 17.628 19.000 -0.830 0.000 0.816 89 A HN 0.633 nan 8.150 nan 0.000 0.458 90 F N -3.369 116.394 119.950 -0.311 0.000 2.745 90 F HA 0.737 5.265 4.527 0.001 0.000 0.316 90 F C -1.145 174.630 175.800 -0.041 0.000 1.155 90 F CA -1.291 56.663 58.000 -0.077 0.000 0.937 90 F CB 1.024 40.149 39.000 0.208 0.000 1.361 90 F HN -0.017 nan 8.300 nan 0.000 0.472 91 Q N 1.700 121.477 119.800 -0.038 0.000 2.352 91 Q HA 0.661 5.001 4.340 0.001 0.000 0.270 91 Q C -2.439 173.586 176.000 0.042 0.000 1.006 91 Q CA -0.810 54.895 55.803 -0.164 0.000 0.880 91 Q CB 3.084 31.731 28.738 -0.152 0.000 1.392 91 Q HN 0.800 nan 8.270 nan 0.000 0.401 92 V N 2.216 122.164 119.914 0.056 0.000 2.540 92 V HA 0.546 4.666 4.120 0.001 0.000 0.302 92 V C -0.429 175.682 176.094 0.028 0.000 1.035 92 V CA -0.599 61.749 62.300 0.081 0.000 0.873 92 V CB 1.957 33.895 31.823 0.191 0.000 0.992 92 V HN 0.826 nan 8.190 nan 0.000 0.428 93 T N 4.752 119.308 114.554 0.003 0.000 2.795 93 T HA 0.477 4.827 4.350 0.001 0.000 0.282 93 T C -0.127 174.575 174.700 0.005 0.000 0.980 93 T CA -0.428 61.669 62.100 -0.005 0.000 1.012 93 T CB 1.325 70.179 68.868 -0.024 0.000 0.936 93 T HN 0.700 nan 8.240 nan 0.000 0.457 94 Q N 0.824 120.630 119.800 0.010 0.000 2.222 94 Q HA 0.582 4.922 4.340 0.001 0.000 0.211 94 Q C 1.658 177.660 176.000 0.003 0.000 1.013 94 Q CA -0.770 55.041 55.803 0.014 0.000 0.993 94 Q CB 0.570 29.321 28.738 0.021 0.000 1.151 94 Q HN 0.754 nan 8.270 nan 0.000 0.544 95 A N 1.346 124.168 122.820 0.004 0.000 1.940 95 A HA -0.231 4.089 4.320 0.001 0.000 0.219 95 A C 1.515 179.099 177.584 -0.001 0.000 1.176 95 A CA 2.108 54.145 52.037 -0.001 0.000 0.631 95 A CB -0.781 18.220 19.000 0.002 0.000 0.814 95 A HN 0.850 nan 8.150 nan 0.000 0.446 96 N N -1.309 117.393 118.700 0.004 0.000 2.521 96 N HA 0.228 4.968 4.740 0.001 0.000 0.188 96 N C 1.042 176.553 175.510 0.001 0.000 1.146 96 N CA 1.549 54.601 53.050 0.003 0.000 0.893 96 N CB -0.190 38.302 38.487 0.007 0.000 0.975 96 N HN 0.829 nan 8.380 nan 0.000 0.451 97 G N -1.112 107.688 108.800 -0.002 0.000 2.238 97 G HA2 -0.247 3.714 3.960 0.001 0.000 0.217 97 G HA3 -0.247 3.714 3.960 0.001 0.000 0.217 97 G C -0.022 174.875 174.900 -0.005 0.000 0.996 97 G CA 0.180 45.278 45.100 -0.005 0.000 0.632 97 G HN 0.692 nan 8.290 nan 0.000 0.503 98 S N 0.085 115.785 115.700 -0.000 0.000 2.580 98 S HA 0.635 5.105 4.470 0.001 0.000 0.274 98 S C 1.150 175.749 174.600 -0.002 0.000 1.329 98 S CA 0.302 58.502 58.200 0.000 0.000 1.036 98 S CB 0.819 64.023 63.200 0.007 0.000 0.919 98 S HN 0.441 nan 8.310 nan 0.000 0.515 99 R N 2.439 122.932 120.500 -0.012 0.000 2.596 99 R HA 0.309 4.650 4.340 0.001 0.000 0.369 99 R C -0.546 175.732 176.300 -0.036 0.000 1.042 99 R CA -0.460 55.625 56.100 -0.025 0.000 1.120 99 R CB 0.259 30.532 30.300 -0.044 0.000 1.353 99 R HN 0.466 nan 8.270 nan 0.000 0.564 100 I N 1.622 122.183 120.570 -0.016 0.000 2.474 100 I HA 0.179 4.350 4.170 0.001 0.000 0.287 100 I C 0.392 176.523 176.117 0.024 0.000 1.048 100 I CA 0.285 61.575 61.300 -0.016 0.000 1.383 100 I CB 1.342 39.340 38.000 -0.004 0.000 1.412 100 I HN -0.059 nan 8.210 nan 0.000 0.531 101 T N 5.837 120.408 114.554 0.029 0.000 2.881 101 T HA 0.373 4.724 4.350 0.001 0.000 0.290 101 T C -0.244 174.525 174.700 0.116 0.000 1.000 101 T CA -0.679 61.494 62.100 0.122 0.000 0.978 101 T CB 1.579 70.610 68.868 0.272 0.000 0.997 101 T HN 0.438 nan 8.240 nan 0.000 0.443 102 E N 2.965 123.240 120.200 0.125 0.000 2.916 102 E HA 0.279 4.630 4.350 0.001 0.000 0.217 102 E C -0.323 176.360 176.600 0.139 0.000 1.100 102 E CA -0.356 56.112 56.400 0.114 0.000 0.891 102 E CB 0.721 30.472 29.700 0.085 0.000 1.311 102 E HN 0.479 nan 8.360 nan 0.000 0.421 103 L N 1.745 123.060 121.223 0.154 0.000 2.514 103 L HA 0.104 4.445 4.340 0.001 0.000 0.280 103 L C 0.274 177.282 176.870 0.230 0.000 1.223 103 L CA 0.701 55.628 54.840 0.145 0.000 0.864 103 L CB 0.173 42.212 42.059 -0.034 0.000 1.118 103 L HN 0.317 nan 8.230 nan 0.000 0.494 104 T N 1.364 116.121 114.554 0.338 0.000 2.916 104 T HA 0.234 4.585 4.350 0.001 0.000 0.298 104 T C -0.793 174.171 174.700 0.439 0.000 1.031 104 T CA -0.581 61.735 62.100 0.360 0.000 0.993 104 T CB 1.163 70.155 68.868 0.206 0.000 1.045 104 T HN 0.312 nan 8.240 nan 0.000 0.454 105 Y N 2.151 122.610 120.300 0.265 0.000 2.497 105 Y HA 0.301 4.852 4.550 0.001 0.000 0.334 105 Y C 0.772 176.634 175.900 -0.064 0.000 1.199 105 Y CA 0.360 58.380 58.100 -0.132 0.000 1.425 105 Y CB 0.862 39.265 38.460 -0.096 0.000 1.291 105 Y HN 0.860 nan 8.280 nan 0.000 0.562 106 D N 1.579 121.370 120.400 -1.014 0.000 3.099 106 D HA 0.039 4.680 4.640 0.001 0.000 0.291 106 D C -0.769 175.052 176.300 -0.798 0.000 1.209 106 D CA 0.739 54.368 54.000 -0.617 0.000 1.032 106 D CB 0.340 41.028 40.800 -0.187 0.000 1.324 106 D HN 0.715 nan 8.370 nan 0.000 0.440 107 H N -2.089 116.394 119.070 -0.979 0.000 3.017 107 H HA 0.359 4.916 4.556 0.001 0.000 0.346 107 H C -1.488 173.752 175.328 -0.147 0.000 1.286 107 H CA -0.936 54.813 56.048 -0.498 0.000 1.120 107 H CB 0.328 29.932 29.762 -0.263 0.000 1.860 107 H HN 0.189 nan 8.280 nan 0.000 0.542 108 Y N 0.152 120.510 120.300 0.097 0.000 2.686 108 Y HA 0.677 5.228 4.550 0.001 0.000 0.330 108 Y C -1.086 174.890 175.900 0.127 0.000 1.082 108 Y CA -1.111 57.048 58.100 0.098 0.000 1.158 108 Y CB 1.949 40.612 38.460 0.337 0.000 1.333 108 Y HN 0.814 nan 8.280 nan 0.000 0.519 109 Q N 1.632 121.480 119.800 0.080 0.000 2.295 109 Q HA 0.468 4.808 4.340 0.001 0.000 0.268 109 Q C -2.434 173.677 176.000 0.184 0.000 1.010 109 Q CA -0.762 55.030 55.803 -0.018 0.000 0.856 109 Q CB 2.335 31.083 28.738 0.017 0.000 1.349 109 Q HN 0.955 nan 8.270 nan 0.000 0.412 110 L N 6.208 127.517 121.223 0.143 0.000 2.345 110 L HA 0.523 4.864 4.340 0.001 0.000 0.274 110 L C -1.442 175.463 176.870 0.060 0.000 0.999 110 L CA -0.535 54.401 54.840 0.160 0.000 0.849 110 L CB 0.826 43.018 42.059 0.222 0.000 1.220 110 L HN 0.666 nan 8.230 nan 0.000 0.422 111 L N 2.961 124.205 121.223 0.035 0.000 2.334 111 L HA 0.504 4.845 4.340 0.001 0.000 0.275 111 L C 0.420 177.280 176.870 -0.017 0.000 1.036 111 L CA -0.651 54.193 54.840 0.005 0.000 0.807 111 L CB 1.794 43.855 42.059 0.003 0.000 1.231 111 L HN 0.439 nan 8.230 nan 0.000 0.438 112 T N 1.502 116.042 114.554 -0.022 0.000 2.869 112 T HA 0.515 4.865 4.350 0.001 0.000 0.295 112 T C 0.517 175.193 174.700 -0.040 0.000 0.987 112 T CA 0.638 62.716 62.100 -0.037 0.000 1.109 112 T CB 1.319 70.171 68.868 -0.026 0.000 0.932 112 T HN 0.998 nan 8.240 nan 0.000 0.518 113 G N 2.078 110.835 108.800 -0.072 0.000 2.584 113 G HA2 0.013 3.973 3.960 0.001 0.000 0.229 113 G HA3 0.013 3.973 3.960 0.001 0.000 0.229 113 G C -0.775 174.076 174.900 -0.081 0.000 1.320 113 G CA -0.003 45.059 45.100 -0.064 0.000 0.891 113 G HN 0.904 nan 8.290 nan 0.000 0.573 114 K N 0.103 120.507 120.400 0.006 0.000 2.616 114 K HA 0.472 4.792 4.320 0.001 0.000 0.255 114 K C -0.401 176.288 176.600 0.147 0.000 0.995 114 K CA -0.478 55.844 56.287 0.059 0.000 0.860 114 K CB 1.105 33.654 32.500 0.082 0.000 1.264 114 K HN 0.710 nan 8.250 nan 0.000 0.451 115 Q N 2.955 122.818 119.800 0.105 0.000 2.227 115 Q HA 0.417 4.758 4.340 0.001 0.000 0.245 115 Q C -0.168 175.906 176.000 0.123 0.000 0.926 115 Q CA -0.692 55.175 55.803 0.106 0.000 0.895 115 Q CB 0.878 29.646 28.738 0.051 0.000 1.230 115 Q HN 0.507 nan 8.270 nan 0.000 0.450 116 R N 0.533 121.107 120.500 0.123 0.000 2.756 116 R HA 0.149 4.489 4.340 0.001 0.000 0.264 116 R C 0.284 176.592 176.300 0.013 0.000 1.026 116 R CA -0.110 56.045 56.100 0.092 0.000 1.121 116 R CB 0.118 30.459 30.300 0.068 0.000 0.999 116 R HN 0.414 nan 8.270 nan 0.000 0.449 117 L N 1.395 122.594 121.223 -0.040 0.000 2.464 117 L HA 0.041 4.382 4.340 0.001 0.000 0.264 117 L C 1.536 178.362 176.870 -0.073 0.000 1.199 117 L CA 0.079 54.877 54.840 -0.071 0.000 0.818 117 L CB 0.671 42.661 42.059 -0.114 0.000 1.102 117 L HN 0.821 nan 8.230 nan 0.000 0.473 118 A N 1.913 124.698 122.820 -0.058 0.000 1.929 118 A HA -0.090 4.230 4.320 0.001 0.000 0.216 118 A C 1.205 178.764 177.584 -0.041 0.000 1.176 118 A CA 1.540 53.554 52.037 -0.039 0.000 0.628 118 A CB -0.410 18.575 19.000 -0.025 0.000 0.816 118 A HN 0.931 nan 8.150 nan 0.000 0.444 119 N N -1.807 116.859 118.700 -0.058 0.000 2.305 119 N HA 0.434 5.175 4.740 0.001 0.000 0.248 119 N C -1.012 174.460 175.510 -0.062 0.000 1.290 119 N CA -0.077 52.952 53.050 -0.036 0.000 0.873 119 N CB 1.077 39.559 38.487 -0.007 0.000 1.261 119 N HN 0.253 nan 8.380 nan 0.000 0.504 120 L N 0.971 122.094 121.223 -0.168 0.000 2.381 120 L HA 0.608 4.948 4.340 0.001 0.000 0.268 120 L C -2.334 174.203 176.870 -0.555 0.000 0.997 120 L CA -2.303 52.365 54.840 -0.287 0.000 0.818 120 L CB 2.341 44.288 42.059 -0.186 0.000 1.310 120 L HN -0.177 nan 8.230 nan 0.000 0.416 121 P HA 0.042 nan 4.420 nan 0.000 0.266 121 P C -0.947 175.881 177.300 -0.787 0.000 1.186 121 P CA 0.165 62.494 63.100 -1.285 0.000 0.767 121 P CB 0.672 31.821 31.700 -0.919 0.000 0.820 122 S N -0.375 114.891 115.700 -0.723 0.000 2.636 122 S HA 0.554 5.025 4.470 0.001 0.000 0.266 122 S C -0.654 173.975 174.600 0.049 0.000 1.147 122 S CA -0.865 57.203 58.200 -0.220 0.000 0.815 122 S CB 0.747 63.845 63.200 -0.169 0.000 1.119 122 S HN 0.538 nan 8.310 nan 0.000 0.470 123 T N -0.301 114.289 114.554 0.059 0.000 2.922 123 T HA 0.819 5.170 4.350 0.001 0.000 0.285 123 T C -0.414 174.376 174.700 0.149 0.000 1.005 123 T CA -0.608 61.469 62.100 -0.038 0.000 1.061 123 T CB 0.226 69.104 68.868 0.017 0.000 1.007 123 T HN 1.253 nan 8.240 nan 0.000 0.502 124 F N -1.227 118.818 119.950 0.158 0.000 2.685 124 F HA 0.723 5.250 4.527 0.001 0.000 0.315 124 F C -1.227 174.793 175.800 0.367 0.000 1.126 124 F CA -1.521 56.612 58.000 0.221 0.000 0.950 124 F CB 1.279 40.358 39.000 0.132 0.000 1.360 124 F HN 0.498 nan 8.300 nan 0.000 0.469 125 D N 0.649 121.367 120.400 0.529 0.000 2.434 125 D HA 0.268 4.908 4.640 0.001 0.000 0.275 125 D C -0.364 176.156 176.300 0.367 0.000 1.172 125 D CA -0.200 54.089 54.000 0.482 0.000 0.916 125 D CB 0.285 41.228 40.800 0.239 0.000 1.041 125 D HN 0.534 nan 8.370 nan 0.000 0.501 126 D N 0.846 121.496 120.400 0.417 0.000 2.349 126 D HA -0.023 4.618 4.640 0.001 0.000 0.215 126 D C 1.102 177.491 176.300 0.148 0.000 1.016 126 D CA 0.632 54.762 54.000 0.218 0.000 0.870 126 D CB 0.550 41.443 40.800 0.155 0.000 0.917 126 D HN 0.447 nan 8.370 nan 0.000 0.524 127 T N -2.240 112.427 114.554 0.187 0.000 3.296 127 T HA 0.127 4.478 4.350 0.001 0.000 0.285 127 T C 0.199 174.975 174.700 0.127 0.000 1.014 127 T CA -0.486 61.684 62.100 0.118 0.000 0.920 127 T CB 0.316 69.221 68.868 0.062 0.000 1.143 127 T HN -0.244 nan 8.240 nan 0.000 0.522 128 D N 1.221 121.698 120.400 0.128 0.000 2.697 128 D HA -0.171 4.469 4.640 0.001 0.000 0.235 128 D C -0.077 176.311 176.300 0.147 0.000 1.167 128 D CA 0.717 54.780 54.000 0.105 0.000 0.656 128 D CB -1.365 39.473 40.800 0.064 0.000 1.025 128 D HN 0.544 nan 8.370 nan 0.000 0.419 129 D N 0.284 120.815 120.400 0.218 0.000 2.463 129 D HA 0.110 4.750 4.640 0.001 0.000 0.224 129 D C -0.049 176.393 176.300 0.237 0.000 1.174 129 D CA 0.049 54.242 54.000 0.321 0.000 0.829 129 D CB 0.144 41.248 40.800 0.506 0.000 0.993 129 D HN 0.276 nan 8.370 nan 0.000 0.497 130 D N -0.795 119.668 120.400 0.106 0.000 3.068 130 D HA -0.170 4.471 4.640 0.001 0.000 0.218 130 D C 0.038 176.248 176.300 -0.150 0.000 1.145 130 D CA 0.888 54.882 54.000 -0.010 0.000 0.896 130 D CB -1.598 39.207 40.800 0.009 0.000 1.105 130 D HN 0.388 nan 8.370 nan 0.000 0.423 131 A N 0.030 122.727 122.820 -0.206 0.000 2.407 131 A HA 0.459 4.780 4.320 0.001 0.000 0.248 131 A C 0.551 177.943 177.584 -0.319 0.000 1.082 131 A CA 0.268 52.027 52.037 -0.464 0.000 0.785 131 A CB 0.718 19.221 19.000 -0.828 0.000 1.020 131 A HN 0.148 nan 8.150 nan 0.000 0.489 132 Q N -0.208 119.390 119.800 -0.337 0.000 2.421 132 Q HA 0.563 4.903 4.340 0.001 0.000 0.280 132 Q C -1.379 174.516 176.000 -0.176 0.000 1.085 132 Q CA -0.699 54.986 55.803 -0.196 0.000 0.807 132 Q CB 2.573 31.232 28.738 -0.132 0.000 1.405 132 Q HN 0.675 nan 8.270 nan 0.000 0.419 133 T N 1.704 116.206 114.554 -0.087 0.000 2.809 133 T HA 0.423 4.774 4.350 0.001 0.000 0.284 133 T C -1.181 173.539 174.700 0.033 0.000 0.992 133 T CA -0.550 61.531 62.100 -0.031 0.000 0.957 133 T CB 0.802 69.658 68.868 -0.020 0.000 0.942 133 T HN 0.300 nan 8.240 nan 0.000 0.439 134 L N 5.353 126.623 121.223 0.078 0.000 2.265 134 L HA 0.626 4.966 4.340 0.001 0.000 0.289 134 L C -0.841 176.115 176.870 0.144 0.000 1.033 134 L CA -0.392 54.527 54.840 0.131 0.000 0.814 134 L CB 0.764 42.895 42.059 0.120 0.000 1.203 134 L HN 0.440 nan 8.230 nan 0.000 0.423 135 V N 6.033 126.017 119.914 0.116 0.000 2.394 135 V HA 0.504 4.625 4.120 0.001 0.000 0.282 135 V C -0.277 175.837 176.094 0.034 0.000 1.031 135 V CA -0.673 61.663 62.300 0.060 0.000 0.881 135 V CB 1.540 33.371 31.823 0.013 0.000 0.982 135 V HN 0.500 nan 8.190 nan 0.000 0.451 136 V N 4.065 123.973 119.914 -0.010 0.000 2.407 136 V HA 0.482 4.603 4.120 0.001 0.000 0.291 136 V C 0.110 176.055 176.094 -0.249 0.000 1.018 136 V CA -0.225 62.010 62.300 -0.108 0.000 0.842 136 V CB 1.777 33.546 31.823 -0.091 0.000 0.996 136 V HN 0.921 nan 8.190 nan 0.000 0.426 137 S N 4.439 119.813 115.700 -0.543 0.000 2.651 137 S HA 0.887 5.357 4.470 0.001 0.000 0.291 137 S C -0.865 173.326 174.600 -0.682 0.000 1.141 137 S CA -0.384 57.499 58.200 -0.527 0.000 1.027 137 S CB 1.381 64.109 63.200 -0.787 0.000 1.043 137 S HN 0.455 nan 8.310 nan 0.000 0.530 138 F N 0.485 120.335 119.950 -0.167 0.000 2.643 138 F HA 0.495 5.023 4.527 0.001 0.000 0.314 138 F C -0.187 175.579 175.800 -0.056 0.000 1.096 138 F CA -0.935 57.016 58.000 -0.083 0.000 0.953 138 F CB 1.835 40.806 39.000 -0.048 0.000 1.345 138 F HN 0.440 nan 8.300 nan 0.000 0.468 139 N N -0.212 118.601 118.700 0.189 0.000 2.240 139 N HA 0.307 5.048 4.740 0.001 0.000 0.302 139 N C -2.059 173.539 175.510 0.146 0.000 1.106 139 N CA -0.852 52.276 53.050 0.130 0.000 0.778 139 N CB 1.595 40.133 38.487 0.084 0.000 1.431 139 N HN 0.467 nan 8.380 nan 0.000 0.479 140 D N 0.525 121.000 120.400 0.125 0.000 2.317 140 D HA 0.143 4.783 4.640 0.001 0.000 0.252 140 D C 0.728 177.090 176.300 0.104 0.000 1.174 140 D CA 0.037 54.113 54.000 0.127 0.000 0.866 140 D CB 0.771 41.654 40.800 0.138 0.000 1.127 140 D HN 0.368 nan 8.370 nan 0.000 0.467 141 R N 3.097 123.656 120.500 0.099 0.000 2.189 141 R HA -0.019 4.321 4.340 0.001 0.000 0.223 141 R C 1.449 177.789 176.300 0.067 0.000 1.092 141 R CA 0.802 56.948 56.100 0.078 0.000 0.989 141 R CB 0.114 30.458 30.300 0.072 0.000 0.876 141 R HN 0.605 nan 8.270 nan 0.000 0.457 142 I N -0.645 119.969 120.570 0.073 0.000 2.512 142 I HA -0.130 4.041 4.170 0.001 0.000 0.247 142 I C 2.211 178.365 176.117 0.062 0.000 1.094 142 I CA 1.299 62.636 61.300 0.062 0.000 1.427 142 I CB -0.177 37.860 38.000 0.061 0.000 1.149 142 I HN 0.159 nan 8.210 nan 0.000 0.438 143 T N -2.485 112.115 114.554 0.076 0.000 3.037 143 T HA 0.296 4.646 4.350 0.001 0.000 0.251 143 T C 1.568 176.311 174.700 0.072 0.000 1.079 143 T CA 0.579 62.723 62.100 0.073 0.000 1.067 143 T CB 0.754 69.674 68.868 0.086 0.000 0.948 143 T HN 0.517 nan 8.240 nan 0.000 0.496 144 G N 1.155 110.000 108.800 0.076 0.000 2.199 144 G HA2 -0.228 3.733 3.960 0.001 0.000 0.254 144 G HA3 -0.228 3.733 3.960 0.001 0.000 0.254 144 G C -0.030 174.920 174.900 0.082 0.000 0.982 144 G CA 0.048 45.190 45.100 0.070 0.000 0.632 144 G HN 0.769 nan 8.290 nan 0.000 0.529 145 L N 1.392 122.675 121.223 0.101 0.000 2.543 145 L HA 0.509 4.850 4.340 0.001 0.000 0.285 145 L C 0.716 177.648 176.870 0.104 0.000 1.236 145 L CA 1.052 55.965 54.840 0.121 0.000 0.871 145 L CB 0.564 42.721 42.059 0.163 0.000 1.121 145 L HN 0.924 nan 8.230 nan 0.000 0.501 146 A N 6.046 128.923 122.820 0.095 0.000 2.318 146 A HA 0.675 4.995 4.320 0.001 0.000 0.324 146 A C -1.273 176.306 177.584 -0.008 0.000 1.170 146 A CA -0.570 51.502 52.037 0.057 0.000 0.810 146 A CB 1.120 20.155 19.000 0.058 0.000 1.198 146 A HN 0.691 nan 8.150 nan 0.000 0.484 147 L N 2.280 123.461 121.223 -0.069 0.000 2.376 147 L HA 0.604 4.945 4.340 0.001 0.000 0.275 147 L C -1.602 175.167 176.870 -0.168 0.000 0.987 147 L CA -0.240 54.434 54.840 -0.276 0.000 0.828 147 L CB 1.912 43.686 42.059 -0.476 0.000 1.249 147 L HN 0.569 nan 8.230 nan 0.000 0.409 148 D N 5.757 126.009 120.400 -0.246 0.000 2.280 148 D HA 0.411 5.052 4.640 0.001 0.000 0.236 148 D C -0.555 175.589 176.300 -0.261 0.000 1.082 148 D CA 0.158 54.051 54.000 -0.179 0.000 0.834 148 D CB 1.856 42.575 40.800 -0.135 0.000 1.100 148 D HN 0.459 nan 8.370 nan 0.000 0.486 149 L N 3.098 124.223 121.223 -0.163 0.000 2.275 149 L HA 0.319 4.660 4.340 0.001 0.000 0.288 149 L C 0.245 177.040 176.870 -0.124 0.000 1.046 149 L CA -0.673 54.016 54.840 -0.251 0.000 0.805 149 L CB 0.688 42.654 42.059 -0.156 0.000 1.193 149 L HN 0.101 nan 8.230 nan 0.000 0.426 150 N N 3.503 122.046 118.700 -0.262 0.000 2.408 150 N HA 0.388 5.129 4.740 0.001 0.000 0.280 150 N C -1.372 173.997 175.510 -0.235 0.000 1.002 150 N CA -0.460 52.514 53.050 -0.128 0.000 0.907 150 N CB 1.791 40.206 38.487 -0.121 0.000 1.161 150 N HN 0.310 nan 8.380 nan 0.000 0.488 151 Y N -0.015 120.216 120.300 -0.114 0.000 2.331 151 Y HA 0.323 4.874 4.550 0.001 0.000 0.334 151 Y C 0.059 175.901 175.900 -0.098 0.000 0.960 151 Y CA -0.801 57.217 58.100 -0.137 0.000 1.130 151 Y CB 1.588 39.967 38.460 -0.136 0.000 1.164 151 Y HN 0.271 nan 8.280 nan 0.000 0.458 152 S N 4.486 120.206 115.700 0.033 0.000 2.456 152 S HA 0.493 4.964 4.470 0.001 0.000 0.316 152 S C -0.449 174.102 174.600 -0.081 0.000 1.089 152 S CA -0.668 57.510 58.200 -0.037 0.000 1.101 152 S CB 0.913 64.115 63.200 0.003 0.000 0.995 152 S HN 0.495 nan 8.310 nan 0.000 0.468 153 I N 3.735 124.191 120.570 -0.190 0.000 2.396 153 I HA 0.216 4.387 4.170 0.001 0.000 0.289 153 I C -1.117 174.770 176.117 -0.383 0.000 1.056 153 I CA -0.216 60.981 61.300 -0.171 0.000 1.365 153 I CB 0.265 38.192 38.000 -0.121 0.000 1.407 153 I HN 0.602 nan 8.210 nan 0.000 0.509 154 F N 9.172 129.066 119.950 -0.094 0.000 2.319 154 F HA 0.318 4.845 4.527 0.001 0.000 0.356 154 F C -1.307 174.436 175.800 -0.096 0.000 1.100 154 F CA -1.855 56.092 58.000 -0.089 0.000 1.220 154 F CB 0.373 39.389 39.000 0.026 0.000 1.506 154 F HN 0.376 nan 8.300 nan 0.000 0.512 155 P HA -0.222 nan 4.420 nan 0.000 0.218 155 P C 1.113 178.341 177.300 -0.121 0.000 1.148 155 P CA 1.752 64.744 63.100 -0.180 0.000 0.822 155 P CB 0.145 31.619 31.700 -0.378 0.000 0.784 156 H N -0.894 118.252 119.070 0.127 0.000 2.551 156 H HA 0.154 4.711 4.556 0.001 0.000 0.266 156 H C 0.906 176.328 175.328 0.157 0.000 0.977 156 H CA 0.746 56.869 56.048 0.125 0.000 1.163 156 H CB 0.010 29.850 29.762 0.131 0.000 1.381 156 H HN 0.282 nan 8.280 nan 0.000 0.581 157 Q N -0.003 119.950 119.800 0.256 0.000 2.139 157 Q HA 0.105 4.446 4.340 0.001 0.000 0.219 157 Q C -0.248 175.816 176.000 0.107 0.000 0.805 157 Q CA -0.176 55.740 55.803 0.188 0.000 1.024 157 Q CB 0.847 29.718 28.738 0.223 0.000 1.163 157 Q HN 0.100 nan 8.270 nan 0.000 0.485 158 D N -0.073 120.407 120.400 0.133 0.000 2.701 158 D HA -0.151 4.489 4.640 0.001 0.000 0.235 158 D C -0.890 175.433 176.300 0.039 0.000 1.155 158 D CA 0.572 54.644 54.000 0.120 0.000 0.649 158 D CB -0.990 39.919 40.800 0.181 0.000 1.050 158 D HN 0.085 nan 8.370 nan 0.000 0.425 159 V N 0.896 120.788 119.914 -0.037 0.000 2.555 159 V HA 0.548 4.669 4.120 0.001 0.000 0.302 159 V C 0.709 176.736 176.094 -0.112 0.000 1.038 159 V CA -0.681 61.482 62.300 -0.228 0.000 0.887 159 V CB 2.475 33.829 31.823 -0.782 0.000 0.991 159 V HN 0.034 nan 8.190 nan 0.000 0.434 160 I N 4.140 124.622 120.570 -0.147 0.000 2.509 160 I HA 0.534 4.704 4.170 0.001 0.000 0.293 160 I C -0.828 175.198 176.117 -0.151 0.000 1.020 160 I CA -0.819 60.409 61.300 -0.120 0.000 1.088 160 I CB 2.243 40.100 38.000 -0.238 0.000 1.267 160 I HN 0.252 nan 8.210 nan 0.000 0.430 161 V N 6.333 126.219 119.914 -0.048 0.000 2.459 161 V HA 0.461 4.581 4.120 0.001 0.000 0.295 161 V C -0.257 175.765 176.094 -0.120 0.000 1.029 161 V CA -0.710 61.561 62.300 -0.047 0.000 0.874 161 V CB 1.824 33.718 31.823 0.117 0.000 0.985 161 V HN 0.650 nan 8.190 nan 0.000 0.438 162 K N 2.769 123.065 120.400 -0.173 0.000 2.375 162 K HA 0.868 5.189 4.320 0.001 0.000 0.249 162 K C -0.708 175.757 176.600 -0.225 0.000 0.942 162 K CA -0.530 55.578 56.287 -0.300 0.000 0.806 162 K CB 2.339 34.606 32.500 -0.388 0.000 1.227 162 K HN 0.885 nan 8.250 nan 0.000 0.430 163 S N -0.243 115.288 115.700 -0.282 0.000 2.611 163 S HA 0.787 5.258 4.470 0.001 0.000 0.268 163 S C -1.711 172.716 174.600 -0.288 0.000 1.156 163 S CA -1.069 57.002 58.200 -0.215 0.000 0.817 163 S CB 1.637 64.742 63.200 -0.158 0.000 1.122 163 S HN 0.656 nan 8.310 nan 0.000 0.466 164 A N 0.882 123.560 122.820 -0.236 0.000 2.386 164 A HA 0.848 5.168 4.320 0.001 0.000 0.311 164 A C -0.753 176.708 177.584 -0.206 0.000 1.068 164 A CA -0.788 51.035 52.037 -0.356 0.000 0.743 164 A CB 1.579 20.286 19.000 -0.488 0.000 1.258 164 A HN 0.903 nan 8.150 nan 0.000 0.429 165 K N 2.187 122.429 120.400 -0.263 0.000 2.358 165 K HA 0.611 4.931 4.320 0.001 0.000 0.260 165 K C -1.848 174.664 176.600 -0.147 0.000 0.956 165 K CA -0.359 55.868 56.287 -0.100 0.000 0.834 165 K CB 0.731 33.179 32.500 -0.085 0.000 1.102 165 K HN 0.510 nan 8.250 nan 0.000 0.431 166 F N 1.827 121.799 119.950 0.037 0.000 2.404 166 F HA 0.346 4.874 4.527 0.001 0.000 0.339 166 F C 0.335 176.180 175.800 0.076 0.000 1.105 166 F CA -0.174 57.856 58.000 0.049 0.000 1.087 166 F CB 2.160 41.223 39.000 0.105 0.000 1.143 166 F HN 0.336 nan 8.300 nan 0.000 0.491 167 T N 2.374 117.051 114.554 0.206 0.000 2.876 167 T HA 0.251 4.602 4.350 0.001 0.000 0.289 167 T C -0.913 173.878 174.700 0.151 0.000 1.014 167 T CA -0.862 61.332 62.100 0.157 0.000 0.986 167 T CB 1.425 70.348 68.868 0.090 0.000 1.021 167 T HN 0.365 nan 8.240 nan 0.000 0.458 168 N N 3.351 122.133 118.700 0.137 0.000 2.898 168 N HA 0.304 5.044 4.740 0.001 0.000 0.245 168 N C -2.017 173.544 175.510 0.085 0.000 1.185 168 N CA -2.295 50.824 53.050 0.116 0.000 0.879 168 N CB 1.210 39.768 38.487 0.119 0.000 1.157 168 N HN 0.244 nan 8.380 nan 0.000 0.503 169 P HA 0.030 nan 4.420 nan 0.000 0.253 169 P C 0.292 177.621 177.300 0.049 0.000 1.260 169 P CA 0.166 63.299 63.100 0.056 0.000 0.800 169 P CB 0.115 31.844 31.700 0.049 0.000 1.162 170 S N 0.308 116.041 115.700 0.055 0.000 2.646 170 S HA 0.285 4.755 4.470 0.001 0.000 0.273 170 S C 1.098 175.723 174.600 0.040 0.000 1.168 170 S CA 0.120 58.349 58.200 0.047 0.000 1.013 170 S CB 0.358 63.589 63.200 0.052 0.000 1.098 170 S HN 0.092 nan 8.310 nan 0.000 0.544 171 S N -1.154 114.567 115.700 0.034 0.000 2.593 171 S HA 0.362 4.832 4.470 0.001 0.000 0.236 171 S C -0.227 174.388 174.600 0.025 0.000 0.991 171 S CA -0.682 57.535 58.200 0.028 0.000 0.963 171 S CB -0.498 62.716 63.200 0.023 0.000 0.865 171 S HN 0.722 nan 8.310 nan 0.000 0.488 172 E N 1.521 121.739 120.200 0.029 0.000 2.266 172 E HA 0.341 4.692 4.350 0.001 0.000 0.268 172 E C -1.052 175.563 176.600 0.025 0.000 0.879 172 E CA -0.906 55.509 56.400 0.024 0.000 0.762 172 E CB 1.671 31.385 29.700 0.024 0.000 1.199 172 E HN 0.237 nan 8.360 nan 0.000 0.422 173 K N 2.176 122.583 120.400 0.012 0.000 2.448 173 K HA 0.188 4.509 4.320 0.001 0.000 0.278 173 K C -0.306 176.299 176.600 0.008 0.000 1.009 173 K CA 0.382 56.671 56.287 0.004 0.000 0.995 173 K CB 0.373 32.864 32.500 -0.014 0.000 0.917 173 K HN 0.307 nan 8.250 nan 0.000 0.481 174 L N 2.662 123.892 121.223 0.012 0.000 2.385 174 L HA 0.377 4.717 4.340 0.001 0.000 0.273 174 L C -0.713 176.146 176.870 -0.018 0.000 0.990 174 L CA -1.238 53.611 54.840 0.014 0.000 0.821 174 L CB 2.099 44.188 42.059 0.050 0.000 1.279 174 L HN 0.282 nan 8.230 nan 0.000 0.412 175 V N 4.320 124.212 119.914 -0.037 0.000 2.370 175 V HA 0.313 4.434 4.120 0.001 0.000 0.279 175 V C 0.226 176.264 176.094 -0.092 0.000 1.029 175 V CA -0.477 61.773 62.300 -0.082 0.000 0.870 175 V CB 1.697 33.464 31.823 -0.093 0.000 0.984 175 V HN 0.509 nan 8.190 nan 0.000 0.451 176 L N 5.626 126.758 121.223 -0.153 0.000 2.363 176 L HA 0.303 4.644 4.340 0.001 0.000 0.286 176 L C 1.311 178.086 176.870 -0.158 0.000 1.106 176 L CA -0.128 54.591 54.840 -0.202 0.000 0.859 176 L CB 0.152 41.971 42.059 -0.400 0.000 1.223 176 L HN 0.684 nan 8.230 nan 0.000 0.446 177 N N 3.127 121.792 118.700 -0.057 0.000 2.354 177 N HA -0.035 4.705 4.740 0.001 0.000 0.179 177 N C 0.595 176.198 175.510 0.154 0.000 1.021 177 N CA 0.660 53.705 53.050 -0.008 0.000 0.887 177 N CB 0.464 38.940 38.487 -0.018 0.000 0.974 177 N HN 0.535 nan 8.380 nan 0.000 0.437 178 R N 0.055 120.655 120.500 0.167 0.000 2.522 178 R HA 0.439 4.779 4.340 0.001 0.000 0.273 178 R C -2.158 174.210 176.300 0.114 0.000 1.133 178 R CA -0.351 55.842 56.100 0.155 0.000 0.969 178 R CB 1.363 31.683 30.300 0.033 0.000 1.235 178 R HN -0.076 nan 8.270 nan 0.000 0.433 179 A N 6.397 129.211 122.820 -0.010 0.000 2.943 179 A HA 0.331 4.651 4.320 0.001 0.000 0.327 179 A C -1.099 176.507 177.584 0.037 0.000 1.141 179 A CA -0.652 51.431 52.037 0.076 0.000 0.773 179 A CB 0.515 19.502 19.000 -0.020 0.000 1.143 179 A HN 0.455 nan 8.150 nan 0.000 0.463 180 L N 0.492 121.760 121.223 0.075 0.000 2.466 180 L HA 0.384 4.724 4.340 0.001 0.000 0.257 180 L C 1.584 178.526 176.870 0.120 0.000 1.189 180 L CA 0.459 55.305 54.840 0.011 0.000 0.813 180 L CB 0.995 43.029 42.059 -0.041 0.000 1.118 180 L HN 0.575 nan 8.230 nan 0.000 0.471 181 S N -0.285 115.437 115.700 0.038 0.000 2.439 181 S HA 0.028 4.499 4.470 0.001 0.000 0.224 181 S C 0.544 175.167 174.600 0.038 0.000 1.029 181 S CA 0.568 58.782 58.200 0.022 0.000 0.946 181 S CB 0.222 63.400 63.200 -0.037 0.000 0.797 181 S HN 0.714 nan 8.310 nan 0.000 0.504 182 S N 0.412 116.148 115.700 0.061 0.000 2.542 182 S HA 0.457 4.928 4.470 0.001 0.000 0.276 182 S C -1.706 172.933 174.600 0.064 0.000 1.148 182 S CA -0.781 57.449 58.200 0.050 0.000 0.886 182 S CB 1.686 64.892 63.200 0.010 0.000 1.109 182 S HN 0.272 nan 8.310 nan 0.000 0.458 183 Q N 3.108 122.954 119.800 0.076 0.000 2.337 183 Q HA 0.717 5.058 4.340 0.001 0.000 0.270 183 Q C -2.065 173.982 176.000 0.078 0.000 1.043 183 Q CA -0.925 54.902 55.803 0.040 0.000 0.794 183 Q CB 1.712 30.444 28.738 -0.012 0.000 1.281 183 Q HN 0.678 nan 8.270 nan 0.000 0.446 184 L N 3.431 124.696 121.223 0.070 0.000 2.362 184 L HA 0.565 4.906 4.340 0.001 0.000 0.275 184 L C -1.671 175.190 176.870 -0.015 0.000 0.998 184 L CA -0.154 54.726 54.840 0.067 0.000 0.820 184 L CB 1.960 44.112 42.059 0.155 0.000 1.270 184 L HN 0.647 nan 8.230 nan 0.000 0.415 185 D N 5.185 125.563 120.400 -0.035 0.000 2.256 185 D HA 0.550 5.190 4.640 0.001 0.000 0.240 185 D C -0.733 175.532 176.300 -0.060 0.000 1.062 185 D CA 0.166 54.139 54.000 -0.046 0.000 0.832 185 D CB 1.717 42.498 40.800 -0.032 0.000 1.135 185 D HN 0.434 nan 8.370 nan 0.000 0.484 186 L N 3.726 124.918 121.223 -0.052 0.000 2.342 186 L HA 0.410 4.751 4.340 0.001 0.000 0.271 186 L C -1.394 175.502 176.870 0.045 0.000 1.008 186 L CA -1.850 52.976 54.840 -0.022 0.000 0.818 186 L CB 2.507 44.529 42.059 -0.061 0.000 1.296 186 L HN 0.170 nan 8.230 nan 0.000 0.427 187 P HA -0.062 nan 4.420 nan 0.000 0.229 187 P C -0.560 176.788 177.300 0.081 0.000 1.160 187 P CA 0.782 63.919 63.100 0.062 0.000 0.777 187 P CB -0.016 31.721 31.700 0.062 0.000 0.814 188 D N -1.679 118.797 120.400 0.127 0.000 2.714 188 D HA 0.552 5.193 4.640 0.001 0.000 0.278 188 D C -0.311 176.097 176.300 0.180 0.000 1.102 188 D CA -1.125 52.940 54.000 0.109 0.000 1.108 188 D CB 0.530 41.356 40.800 0.044 0.000 1.444 188 D HN -0.163 nan 8.370 nan 0.000 0.568 189 A N -0.425 122.463 122.820 0.113 0.000 2.630 189 A HA 0.275 4.595 4.320 0.001 0.000 0.287 189 A C -0.542 177.091 177.584 0.082 0.000 1.040 189 A CA -0.629 51.512 52.037 0.173 0.000 0.971 189 A CB -0.925 18.138 19.000 0.105 0.000 1.241 189 A HN 0.506 nan 8.150 nan 0.000 0.558 190 N N 0.837 119.459 118.700 -0.130 0.000 2.739 190 N HA 0.447 5.188 4.740 0.001 0.000 0.266 190 N C -1.341 173.901 175.510 -0.447 0.000 1.168 190 N CA 0.430 53.347 53.050 -0.221 0.000 1.055 190 N CB -0.104 38.247 38.487 -0.226 0.000 1.393 190 N HN 0.479 nan 8.380 nan 0.000 0.514 191 Y N -0.607 119.728 120.300 0.060 0.000 2.625 191 Y HA 0.347 4.898 4.550 0.001 0.000 0.338 191 Y C -0.541 175.390 175.900 0.051 0.000 1.123 191 Y CA -1.314 56.831 58.100 0.075 0.000 1.046 191 Y CB 1.485 40.007 38.460 0.102 0.000 1.299 191 Y HN 0.172 nan 8.280 nan 0.000 0.464 192 D N 1.558 122.092 120.400 0.223 0.000 2.168 192 D HA 0.306 4.946 4.640 0.001 0.000 0.246 192 D C -0.996 175.373 176.300 0.115 0.000 1.050 192 D CA -0.508 53.569 54.000 0.128 0.000 0.857 192 D CB 2.181 43.023 40.800 0.071 0.000 1.169 192 D HN 0.321 nan 8.370 nan 0.000 0.453 193 L N 2.653 123.922 121.223 0.077 0.000 2.319 193 L HA 0.366 4.706 4.340 0.001 0.000 0.280 193 L C -0.787 176.079 176.870 -0.006 0.000 1.099 193 L CA 0.095 54.948 54.840 0.022 0.000 0.828 193 L CB 0.193 42.255 42.059 0.006 0.000 1.150 193 L HN 0.294 nan 8.230 nan 0.000 0.442 194 I N 6.068 126.599 120.570 -0.064 0.000 2.389 194 I HA 0.362 4.533 4.170 0.001 0.000 0.288 194 I C -0.369 175.592 176.117 -0.259 0.000 0.999 194 I CA -0.530 60.666 61.300 -0.175 0.000 1.129 194 I CB 1.525 39.422 38.000 -0.172 0.000 1.288 194 I HN 0.726 nan 8.210 nan 0.000 0.444 195 Q N 5.416 124.991 119.800 -0.375 0.000 2.496 195 Q HA 0.636 4.977 4.340 0.001 0.000 0.286 195 Q C -1.785 173.863 176.000 -0.588 0.000 1.103 195 Q CA -0.822 54.823 55.803 -0.264 0.000 0.813 195 Q CB 2.633 31.322 28.738 -0.082 0.000 1.444 195 Q HN 0.427 nan 8.270 nan 0.000 0.443 196 F N 0.804 120.826 119.950 0.120 0.000 2.532 196 F HA 0.447 4.974 4.527 0.001 0.000 0.365 196 F C -0.664 175.249 175.800 0.188 0.000 1.112 196 F CA -0.432 57.671 58.000 0.172 0.000 1.082 196 F CB 2.184 41.309 39.000 0.209 0.000 1.319 196 F HN 0.455 nan 8.300 nan 0.000 0.457 197 S N 0.970 116.849 115.700 0.299 0.000 2.600 197 S HA 0.982 5.453 4.470 0.001 0.000 0.300 197 S C 0.152 174.899 174.600 0.244 0.000 1.087 197 S CA -0.530 57.783 58.200 0.187 0.000 0.965 197 S CB 2.200 65.358 63.200 -0.071 0.000 1.089 197 S HN 0.931 nan 8.310 nan 0.000 0.496 198 G N 0.045 108.935 108.800 0.150 0.000 2.512 198 G HA2 0.513 4.474 3.960 0.001 0.000 0.181 198 G HA3 0.513 4.474 3.960 0.001 0.000 0.181 198 G C -0.661 174.303 174.900 0.108 0.000 1.173 198 G CA 0.384 45.547 45.100 0.105 0.000 0.988 198 G HN 0.971 nan 8.290 nan 0.000 0.485 199 T N -2.109 112.518 114.554 0.121 0.000 2.663 199 T HA 0.434 4.785 4.350 0.001 0.000 0.302 199 T C -1.799 173.008 174.700 0.178 0.000 1.523 199 T CA 0.339 62.544 62.100 0.175 0.000 1.011 199 T CB 0.264 69.214 68.868 0.137 0.000 1.841 199 T HN 1.429 nan 8.240 nan 0.000 0.462 200 W N 2.235 123.491 121.300 -0.072 0.000 2.314 200 W HA 0.339 4.999 4.660 0.001 0.000 0.339 200 W C 1.209 177.719 176.519 -0.014 0.000 1.293 200 W CA 1.827 59.068 57.345 -0.173 0.000 1.288 200 W CB -0.351 28.941 29.460 -0.281 0.000 1.186 200 W HN 1.395 nan 8.180 nan 0.000 0.566 201 A N 4.111 126.371 122.820 -0.934 0.000 3.420 201 A HA -0.327 3.993 4.320 0.001 0.000 0.269 201 A C 0.771 178.157 177.584 -0.331 0.000 1.122 201 A CA 1.939 53.456 52.037 -0.867 0.000 1.023 201 A CB -1.868 16.319 19.000 -1.355 0.000 1.099 201 A HN 0.937 nan 8.150 nan 0.000 0.860 202 R N -0.913 119.498 120.500 -0.148 0.000 2.627 202 R HA 0.484 4.825 4.340 0.001 0.000 0.251 202 R C -0.922 175.425 176.300 0.077 0.000 1.524 202 R CA -0.534 55.560 56.100 -0.011 0.000 1.606 202 R CB 0.149 30.405 30.300 -0.073 0.000 1.396 202 R HN 0.358 nan 8.270 nan 0.000 0.724 203 E N 1.186 121.455 120.200 0.116 0.000 2.319 203 E HA 0.344 4.694 4.350 0.001 0.000 0.268 203 E C -0.020 176.743 176.600 0.272 0.000 1.050 203 E CA -0.788 55.712 56.400 0.168 0.000 0.878 203 E CB 0.700 30.453 29.700 0.090 0.000 1.066 203 E HN 0.215 nan 8.360 nan 0.000 0.406 204 R N 0.884 121.563 120.500 0.298 0.000 3.641 204 R HA -0.212 4.128 4.340 0.001 0.000 0.286 204 R C -0.541 176.057 176.300 0.496 0.000 1.153 204 R CA 0.263 56.597 56.100 0.391 0.000 0.775 204 R CB -2.091 28.342 30.300 0.222 0.000 1.215 204 R HN 0.647 nan 8.270 nan 0.000 0.474 205 H N 0.191 119.412 119.070 0.252 0.000 2.948 205 H HA 0.052 4.608 4.556 0.001 0.000 0.351 205 H C 0.663 175.820 175.328 -0.284 0.000 1.079 205 H CA 0.262 56.341 56.048 0.052 0.000 1.407 205 H CB 0.716 30.548 29.762 0.116 0.000 1.373 205 H HN 0.114 nan 8.280 nan 0.000 0.605 206 L N 4.195 124.765 121.223 -1.088 0.000 2.290 206 L HA 0.199 4.540 4.340 0.001 0.000 0.284 206 L C -1.232 175.121 176.870 -0.863 0.000 1.078 206 L CA -0.281 53.898 54.840 -1.102 0.000 0.815 206 L CB -0.016 41.310 42.059 -1.221 0.000 1.162 206 L HN 0.474 nan 8.230 nan 0.000 0.435 207 Y N 4.582 124.561 120.300 -0.535 0.000 2.446 207 Y HA 0.582 5.132 4.550 0.001 0.000 0.345 207 Y C -0.208 175.547 175.900 -0.241 0.000 0.984 207 Y CA -0.721 57.234 58.100 -0.242 0.000 1.058 207 Y CB 1.797 40.224 38.460 -0.055 0.000 1.220 207 Y HN 0.492 nan 8.280 nan 0.000 0.455 208 R N 2.407 122.841 120.500 -0.110 0.000 2.502 208 R HA 0.538 4.879 4.340 0.001 0.000 0.300 208 R C -2.085 173.993 176.300 -0.369 0.000 0.984 208 R CA -0.707 55.288 56.100 -0.175 0.000 0.882 208 R CB 0.724 30.915 30.300 -0.182 0.000 1.180 208 R HN 0.847 nan 8.270 nan 0.000 0.444 209 H N 3.201 122.265 119.070 -0.009 0.000 2.865 209 H HA 0.343 4.900 4.556 0.001 0.000 0.362 209 H C -2.506 172.829 175.328 0.012 0.000 1.114 209 H CA -1.743 54.308 56.048 0.004 0.000 1.208 209 H CB 2.219 31.981 29.762 -0.001 0.000 1.727 209 H HN 0.429 nan 8.280 nan 0.000 0.534 210 P HA -0.046 nan 4.420 nan 0.000 0.269 210 P C -0.394 176.960 177.300 0.090 0.000 1.209 210 P CA -0.435 62.716 63.100 0.085 0.000 0.776 210 P CB 0.618 32.353 31.700 0.059 0.000 0.876 211 L N 3.496 124.769 121.223 0.082 0.000 2.483 211 L HA 0.163 4.503 4.340 0.001 0.000 0.276 211 L C 1.229 178.121 176.870 0.037 0.000 1.213 211 L CA 0.644 55.520 54.840 0.059 0.000 0.843 211 L CB -0.491 41.619 42.059 0.084 0.000 1.107 211 L HN 0.529 nan 8.230 nan 0.000 0.487 212 R N 2.171 122.680 120.500 0.014 0.000 2.888 212 R HA 0.722 5.062 4.340 0.001 0.000 0.266 212 R C -2.652 173.642 176.300 -0.009 0.000 1.020 212 R CA -2.117 53.984 56.100 0.002 0.000 0.963 212 R CB -0.165 30.132 30.300 -0.005 0.000 1.197 212 R HN 0.263 nan 8.270 nan 0.000 0.481 213 P HA 0.144 nan 4.420 nan 0.000 0.262 213 P C -0.026 177.253 177.300 -0.035 0.000 1.182 213 P CA 1.265 64.349 63.100 -0.028 0.000 0.761 213 P CB 0.536 32.214 31.700 -0.037 0.000 0.795 217 S N 2.881 118.524 115.700 -0.095 0.000 2.599 217 S HA 0.933 5.404 4.470 0.001 0.000 0.287 217 S C 0.048 174.591 174.600 -0.094 0.000 1.105 217 S CA -0.816 57.328 58.200 -0.094 0.000 0.899 217 S CB 2.076 65.217 63.200 -0.098 0.000 1.100 217 S HN 0.731 nan 8.310 nan 0.000 0.482 218 I N -0.466 120.061 120.570 -0.072 0.000 2.689 218 I HA 0.891 5.062 4.170 0.001 0.000 0.299 218 I C -0.543 175.455 176.117 -0.198 0.000 1.059 218 I CA -0.803 60.453 61.300 -0.073 0.000 1.055 218 I CB 2.028 40.054 38.000 0.042 0.000 1.243 218 I HN 0.944 nan 8.210 nan 0.000 0.425 219 S N 2.944 118.418 115.700 -0.377 0.000 2.672 219 S HA 0.711 5.182 4.470 0.001 0.000 0.271 219 S C -0.919 173.233 174.600 -0.746 0.000 1.171 219 S CA -0.762 56.985 58.200 -0.755 0.000 0.817 219 S CB 1.760 64.714 63.200 -0.410 0.000 1.150 219 S HN 0.881 nan 8.310 nan 0.000 0.478 220 S N -0.667 114.602 115.700 -0.718 0.000 2.540 220 S HA 0.679 5.150 4.470 0.001 0.000 0.275 220 S C -0.753 173.743 174.600 -0.174 0.000 1.123 220 S CA -0.791 57.217 58.200 -0.321 0.000 0.907 220 S CB 1.153 64.276 63.200 -0.129 0.000 1.081 220 S HN 0.713 nan 8.310 nan 0.000 0.476 221 L N 3.193 124.341 121.223 -0.125 0.000 2.858 221 L HA 0.385 4.726 4.340 0.001 0.000 0.251 221 L C 1.008 177.847 176.870 -0.052 0.000 1.149 221 L CA -0.210 54.589 54.840 -0.067 0.000 0.955 221 L CB 0.222 42.242 42.059 -0.065 0.000 1.289 221 L HN 0.467 nan 8.230 nan 0.000 0.542 225 S N 1.437 117.241 115.700 0.174 0.000 2.510 225 S HA 0.515 4.985 4.470 0.001 0.000 0.279 225 S C 0.550 175.303 174.600 0.256 0.000 1.284 225 S CA 0.193 58.563 58.200 0.283 0.000 1.059 225 S CB 0.425 63.693 63.200 0.113 0.000 0.901 225 S HN 1.263 nan 8.310 nan 0.000 0.491 226 S N 2.081 117.979 115.700 0.330 0.000 2.549 226 S HA -0.010 4.460 4.470 0.001 0.000 0.278 226 S C 1.007 175.735 174.600 0.213 0.000 1.344 226 S CA -0.096 58.236 58.200 0.219 0.000 1.025 226 S CB -0.088 63.227 63.200 0.190 0.000 0.851 226 S HN 0.878 nan 8.310 nan 0.000 0.530 227 H N 0.623 119.859 119.070 0.277 0.000 2.462 227 H HA -0.029 4.528 4.556 0.001 0.000 0.292 227 H C 1.991 177.430 175.328 0.186 0.000 1.049 227 H CA 1.213 57.415 56.048 0.256 0.000 1.334 227 H CB 0.196 30.159 29.762 0.335 0.000 1.404 227 H HN 0.449 nan 8.280 nan 0.000 0.544 228 Q N -0.205 119.757 119.800 0.270 0.000 2.187 228 Q HA 0.062 4.403 4.340 0.001 0.000 0.199 228 Q C -0.109 175.988 176.000 0.162 0.000 0.957 228 Q CA 0.813 56.716 55.803 0.167 0.000 0.857 228 Q CB 0.711 29.494 28.738 0.075 0.000 0.929 228 Q HN 0.302 nan 8.270 nan 0.000 0.453 229 Q N -0.121 119.811 119.800 0.219 0.000 2.281 229 Q HA 0.304 4.645 4.340 0.001 0.000 0.263 229 Q C -1.401 174.844 176.000 0.408 0.000 0.989 229 Q CA -0.393 55.583 55.803 0.288 0.000 0.852 229 Q CB 1.712 30.600 28.738 0.250 0.000 1.337 229 Q HN 0.085 nan 8.270 nan 0.000 0.418 230 N N 2.062 120.971 118.700 0.349 0.000 2.508 230 N HA 0.351 5.092 4.740 0.001 0.000 0.285 230 N C -1.794 173.757 175.510 0.069 0.000 1.144 230 N CA -1.487 51.705 53.050 0.237 0.000 0.978 230 N CB 1.178 39.843 38.487 0.298 0.000 1.180 230 N HN 0.109 nan 8.380 nan 0.000 0.484 231 P HA 0.009 nan 4.420 nan 0.000 0.225 231 P C -0.120 177.191 177.300 0.020 0.000 1.156 231 P CA 0.469 63.233 63.100 -0.560 0.000 0.787 231 P CB 0.049 31.337 31.700 -0.688 0.000 0.802 236 A N 3.401 126.385 122.820 0.273 0.000 2.324 236 A HA 0.865 5.185 4.320 0.001 0.000 0.330 236 A C -0.137 177.661 177.584 0.356 0.000 1.165 236 A CA -0.673 51.524 52.037 0.267 0.000 0.813 236 A CB 1.289 20.380 19.000 0.152 0.000 1.197 236 A HN 0.618 nan 8.150 nan 0.000 0.484 237 R N 1.449 122.126 120.500 0.295 0.000 2.827 237 R HA 0.110 4.450 4.340 0.001 0.000 0.269 237 R C -1.769 174.577 176.300 0.077 0.000 1.048 237 R CA -1.478 54.699 56.100 0.130 0.000 1.173 237 R CB -0.293 30.052 30.300 0.075 0.000 1.070 237 R HN 0.434 nan 8.270 nan 0.000 0.498 238 P HA -0.083 nan 4.420 nan 0.000 0.218 238 P C 0.564 177.878 177.300 0.024 0.000 1.149 238 P CA 1.204 64.316 63.100 0.021 0.000 0.817 238 P CB 0.373 32.071 31.700 -0.004 0.000 0.785 239 Q N -2.049 117.764 119.800 0.023 0.000 2.247 239 Q HA 0.143 4.483 4.340 0.001 0.000 0.204 239 Q C 0.090 176.109 176.000 0.032 0.000 0.872 239 Q CA 0.293 56.109 55.803 0.021 0.000 0.951 239 Q CB -0.564 28.181 28.738 0.012 0.000 1.099 239 Q HN 0.079 nan 8.270 nan 0.000 0.501 240 T N 0.815 115.396 114.554 0.046 0.000 2.907 240 T HA 0.404 4.754 4.350 0.001 0.000 0.298 240 T C 0.363 175.104 174.700 0.068 0.000 1.017 240 T CA 0.208 62.340 62.100 0.052 0.000 1.118 240 T CB 0.865 69.771 68.868 0.063 0.000 0.948 240 T HN 0.399 nan 8.240 nan 0.000 0.531 241 T N -0.960 113.639 114.554 0.074 0.000 2.626 241 T HA 0.372 4.722 4.350 0.001 0.000 0.279 241 T C 0.539 175.322 174.700 0.137 0.000 0.983 241 T CA -0.788 61.377 62.100 0.107 0.000 1.059 241 T CB 1.036 69.954 68.868 0.083 0.000 1.396 241 T HN 0.310 nan 8.240 nan 0.000 0.519 242 D N 0.250 120.755 120.400 0.176 0.000 2.264 242 D HA -0.017 4.623 4.640 0.001 0.000 0.208 242 D C 1.487 177.852 176.300 0.109 0.000 0.966 242 D CA 1.009 55.115 54.000 0.177 0.000 0.864 242 D CB 0.287 41.213 40.800 0.211 0.000 0.933 242 D HN 0.631 nan 8.370 nan 0.000 0.499 243 E N -0.175 120.074 120.200 0.083 0.000 2.415 243 E HA 0.030 4.380 4.350 0.001 0.000 0.197 243 E C 0.803 177.423 176.600 0.032 0.000 1.007 243 E CA 0.080 56.514 56.400 0.057 0.000 0.890 243 E CB 0.627 30.345 29.700 0.031 0.000 0.891 243 E HN 0.309 nan 8.360 nan 0.000 0.496 244 Q N -0.746 119.069 119.800 0.025 0.000 2.527 244 Q HA 0.496 4.837 4.340 0.001 0.000 0.280 244 Q C -0.712 175.289 176.000 0.000 0.000 0.977 244 Q CA -0.536 55.270 55.803 0.005 0.000 0.837 244 Q CB 1.982 30.723 28.738 0.004 0.000 1.454 244 Q HN 0.059 nan 8.270 nan 0.000 0.387 245 G N 0.150 108.937 108.800 -0.022 0.000 2.484 245 G HA2 0.405 4.366 3.960 0.001 0.000 0.685 245 G HA3 0.405 4.366 3.960 0.001 0.000 0.685 245 G C -0.909 173.946 174.900 -0.075 0.000 1.294 245 G CA -0.425 44.664 45.100 -0.018 0.000 0.879 245 G HN 1.199 nan 8.290 nan 0.000 0.646 246 A N -0.675 122.119 122.820 -0.043 0.000 2.440 246 A HA 0.846 5.167 4.320 0.001 0.000 0.251 246 A C 0.517 178.042 177.584 -0.098 0.000 1.089 246 A CA 0.405 52.372 52.037 -0.116 0.000 0.779 246 A CB 1.279 20.367 19.000 0.147 0.000 1.022 246 A HN 2.407 nan 8.150 nan 0.000 0.492 247 V N 3.549 123.255 119.914 -0.347 0.000 2.882 247 V HA 0.595 4.716 4.120 0.001 0.000 0.295 247 V C -1.682 174.212 176.094 -0.333 0.000 1.273 247 V CA -0.769 61.438 62.300 -0.155 0.000 0.949 247 V CB 1.415 33.220 31.823 -0.030 0.000 1.071 247 V HN 0.763 nan 8.190 nan 0.000 0.432 248 F N 4.325 124.292 119.950 0.028 0.000 2.385 248 F HA 0.827 5.354 4.527 0.001 0.000 0.336 248 F C 1.076 176.854 175.800 -0.037 0.000 1.100 248 F CA 0.355 58.321 58.000 -0.057 0.000 1.116 248 F CB 1.954 40.912 39.000 -0.071 0.000 1.166 248 F HN 0.675 nan 8.300 nan 0.000 0.511 249 G N 2.095 110.886 108.800 -0.015 0.000 2.495 249 G HA2 0.682 4.642 3.960 0.001 0.000 0.318 249 G HA3 0.682 4.642 3.960 0.001 0.000 0.318 249 G C -1.927 172.878 174.900 -0.158 0.000 1.257 249 G CA -0.470 44.693 45.100 0.104 0.000 0.962 249 G HN 0.349 nan 8.290 nan 0.000 0.483 250 F N 1.191 121.213 119.950 0.122 0.000 2.547 250 F HA 0.560 5.087 4.527 0.001 0.000 0.316 250 F C 0.053 175.960 175.800 0.180 0.000 1.121 250 F CA -1.117 56.951 58.000 0.114 0.000 0.911 250 F CB 2.621 41.642 39.000 0.034 0.000 1.179 250 F HN 0.383 nan 8.300 nan 0.000 0.443 251 N N 1.426 120.324 118.700 0.330 0.000 3.102 251 N HA 0.611 5.352 4.740 0.001 0.000 0.299 251 N C -2.102 173.501 175.510 0.155 0.000 1.482 251 N CA -0.504 52.705 53.050 0.265 0.000 0.785 251 N CB 2.385 41.027 38.487 0.259 0.000 1.680 251 N HN 0.681 nan 8.380 nan 0.000 0.594 252 L N 1.500 122.782 121.223 0.097 0.000 2.482 252 L HA 0.374 4.714 4.340 0.001 0.000 0.269 252 L C -0.863 176.049 176.870 0.071 0.000 0.967 252 L CA -0.729 54.156 54.840 0.075 0.000 0.851 252 L CB 1.808 43.909 42.059 0.069 0.000 1.242 252 L HN 0.275 nan 8.230 nan 0.000 0.404 253 V N 5.338 125.287 119.914 0.059 0.000 2.157 253 V HA 0.133 4.254 4.120 0.001 0.000 0.241 253 V C -0.716 175.461 176.094 0.138 0.000 1.349 253 V CA 0.134 62.453 62.300 0.031 0.000 1.319 253 V CB -0.946 30.858 31.823 -0.030 0.000 1.421 253 V HN 0.501 nan 8.190 nan 0.000 0.501 254 Y N 1.554 121.865 120.300 0.018 0.000 2.565 254 Y HA 0.401 4.951 4.550 0.001 0.000 0.330 254 Y C 0.517 176.508 175.900 0.151 0.000 1.150 254 Y CA -0.812 57.367 58.100 0.132 0.000 1.055 254 Y CB 2.077 40.608 38.460 0.118 0.000 1.337 254 Y HN 0.152 nan 8.280 nan 0.000 0.457 255 S N 1.431 116.940 115.700 -0.318 0.000 2.666 255 S HA 0.327 4.798 4.470 0.001 0.000 0.239 255 S C 0.536 174.947 174.600 -0.316 0.000 1.031 255 S CA 0.156 58.223 58.200 -0.222 0.000 1.015 255 S CB 0.888 64.016 63.200 -0.121 0.000 0.981 255 S HN 0.929 nan 8.310 nan 0.000 0.547 256 G N 1.982 110.345 108.800 -0.727 0.000 2.882 256 G HA2 0.330 4.290 3.960 0.001 0.000 0.164 256 G HA3 0.330 4.290 3.960 0.001 0.000 0.164 256 G C -0.418 174.551 174.900 0.116 0.000 1.429 256 G CA -0.601 44.312 45.100 -0.310 0.000 1.059 256 G HN 0.227 nan 8.290 nan 0.000 0.581 257 N N 0.545 119.418 118.700 0.288 0.000 2.470 257 N HA 0.430 5.170 4.740 0.001 0.000 0.268 257 N C -0.686 175.055 175.510 0.386 0.000 1.136 257 N CA -0.140 53.070 53.050 0.266 0.000 0.961 257 N CB 0.756 39.348 38.487 0.175 0.000 1.067 257 N HN 0.387 nan 8.380 nan 0.000 0.468 258 F N 0.649 120.690 119.950 0.152 0.000 2.611 258 F HA 0.780 5.308 4.527 0.001 0.000 0.324 258 F C -1.234 174.589 175.800 0.038 0.000 1.061 258 F CA -1.457 56.614 58.000 0.117 0.000 0.954 258 F CB 0.957 40.053 39.000 0.159 0.000 1.301 258 F HN 0.188 nan 8.300 nan 0.000 0.482 259 L N 2.280 123.538 121.223 0.058 0.000 2.381 259 L HA 0.552 4.893 4.340 0.001 0.000 0.274 259 L C -1.704 175.265 176.870 0.164 0.000 0.988 259 L CA -0.261 54.548 54.840 -0.052 0.000 0.824 259 L CB 1.709 43.720 42.059 -0.079 0.000 1.263 259 L HN 0.646 nan 8.230 nan 0.000 0.410 260 D N 5.192 125.693 120.400 0.168 0.000 2.414 260 D HA 0.669 5.310 4.640 0.001 0.000 0.232 260 D C -0.746 175.531 176.300 -0.039 0.000 1.070 260 D CA 0.109 54.160 54.000 0.084 0.000 0.839 260 D CB 1.905 42.791 40.800 0.144 0.000 1.079 260 D HN 0.702 nan 8.370 nan 0.000 0.521 261 A N 2.875 125.641 122.820 -0.090 0.000 2.401 261 A HA 0.821 5.142 4.320 0.001 0.000 0.310 261 A C -0.659 176.839 177.584 -0.143 0.000 1.075 261 A CA -0.684 51.288 52.037 -0.108 0.000 0.746 261 A CB 1.175 20.118 19.000 -0.094 0.000 1.277 261 A HN 0.519 nan 8.150 nan 0.000 0.425 262 I N 1.427 121.921 120.570 -0.128 0.000 2.529 262 I HA 0.303 4.474 4.170 0.001 0.000 0.284 262 I C -0.503 175.560 176.117 -0.089 0.000 1.088 262 I CA -0.172 61.049 61.300 -0.132 0.000 1.062 262 I CB 1.901 39.812 38.000 -0.149 0.000 1.218 262 I HN 0.817 nan 8.210 nan 0.000 0.442 263 E N 5.610 125.764 120.200 -0.077 0.000 2.134 263 E HA 0.493 4.843 4.350 0.001 0.000 0.278 263 E C -1.331 175.247 176.600 -0.035 0.000 0.959 263 E CA -0.612 55.756 56.400 -0.054 0.000 0.783 263 E CB 1.901 31.572 29.700 -0.050 0.000 1.095 263 E HN 0.369 nan 8.360 nan 0.000 0.399 264 V N 5.825 125.725 119.914 -0.023 0.000 2.350 264 V HA 0.129 4.250 4.120 0.001 0.000 0.276 264 V C 0.198 176.284 176.094 -0.012 0.000 1.028 264 V CA -0.560 61.737 62.300 -0.004 0.000 0.860 264 V CB 1.036 32.862 31.823 0.006 0.000 0.990 264 V HN 0.777 nan 8.190 nan 0.000 0.453 265 D N 3.827 124.227 120.400 -0.001 0.000 2.539 265 D HA 0.099 4.739 4.640 0.001 0.000 0.280 265 D C 1.234 177.496 176.300 -0.064 0.000 1.208 265 D CA -0.434 53.555 54.000 -0.018 0.000 1.088 265 D CB 0.485 41.294 40.800 0.015 0.000 1.149 265 D HN 0.481 nan 8.370 nan 0.000 0.596 266 Q N -1.353 118.355 119.800 -0.154 0.000 2.439 266 Q HA -0.173 4.168 4.340 0.001 0.000 0.211 266 Q C 0.147 175.875 176.000 -0.453 0.000 0.978 266 Q CA 1.243 56.838 55.803 -0.347 0.000 0.897 266 Q CB -0.466 27.961 28.738 -0.518 0.000 0.956 266 Q HN 0.534 nan 8.270 nan 0.000 0.483 267 Y N 0.161 120.447 120.300 -0.023 0.000 2.696 267 Y HA 0.327 4.878 4.550 0.001 0.000 0.260 267 Y C 0.345 176.238 175.900 -0.012 0.000 1.165 267 Y CA -0.648 57.439 58.100 -0.022 0.000 1.189 267 Y CB 0.834 39.277 38.460 -0.029 0.000 1.180 267 Y HN 0.006 nan 8.280 nan 0.000 0.538 268 S N 1.241 116.989 115.700 0.079 0.000 3.549 268 S HA -0.181 4.289 4.470 0.001 0.000 0.366 268 S C 0.387 175.037 174.600 0.082 0.000 1.012 268 S CA 1.057 59.294 58.200 0.062 0.000 1.141 268 S CB -1.179 62.051 63.200 0.050 0.000 0.910 268 S HN 0.685 nan 8.310 nan 0.000 0.471 269 T N -0.936 113.671 114.554 0.088 0.000 2.945 269 T HA 0.758 5.109 4.350 0.001 0.000 0.286 269 T C -0.066 174.665 174.700 0.052 0.000 1.025 269 T CA -0.648 61.497 62.100 0.075 0.000 1.039 269 T CB 1.908 70.818 68.868 0.069 0.000 1.068 269 T HN 0.127 nan 8.240 nan 0.000 0.497 270 S N 0.862 116.588 115.700 0.043 0.000 2.489 270 S HA 0.590 5.060 4.470 0.001 0.000 0.291 270 S C -0.293 174.284 174.600 -0.039 0.000 1.151 270 S CA -0.924 57.277 58.200 0.001 0.000 1.082 270 S CB 1.006 64.201 63.200 -0.008 0.000 1.019 270 S HN 0.766 nan 8.310 nan 0.000 0.492 271 R N 2.340 122.806 120.500 -0.058 0.000 2.439 271 R HA 0.549 4.889 4.340 0.001 0.000 0.310 271 R C -1.727 174.504 176.300 -0.115 0.000 0.955 271 R CA -0.536 55.520 56.100 -0.074 0.000 0.853 271 R CB 0.371 30.635 30.300 -0.061 0.000 1.171 271 R HN 0.530 nan 8.270 nan 0.000 0.449 272 I N 6.188 126.677 120.570 -0.135 0.000 2.328 272 I HA 0.293 4.463 4.170 0.001 0.000 0.287 272 I C -0.698 175.337 176.117 -0.137 0.000 1.012 272 I CA -0.216 60.953 61.300 -0.218 0.000 1.195 272 I CB 1.519 39.278 38.000 -0.402 0.000 1.350 272 I HN 0.412 nan 8.210 nan 0.000 0.464 273 L N 6.314 127.458 121.223 -0.132 0.000 2.329 273 L HA 0.803 5.144 4.340 0.001 0.000 0.279 273 L C 0.037 176.870 176.870 -0.061 0.000 1.014 273 L CA -0.474 54.317 54.840 -0.081 0.000 0.814 273 L CB 2.009 44.016 42.059 -0.088 0.000 1.257 273 L HN 0.649 nan 8.230 nan 0.000 0.424 274 T N -0.702 113.846 114.554 -0.009 0.000 2.903 274 T HA 0.946 5.297 4.350 0.001 0.000 0.299 274 T C -0.283 174.433 174.700 0.027 0.000 1.093 274 T CA -0.306 61.818 62.100 0.039 0.000 1.002 274 T CB 2.439 71.357 68.868 0.083 0.000 1.127 274 T HN 1.029 nan 8.240 nan 0.000 0.488 275 G N 1.075 109.898 108.800 0.038 0.000 2.356 275 G HA2 0.363 4.324 3.960 0.001 0.000 0.288 275 G HA3 0.363 4.324 3.960 0.001 0.000 0.288 275 G C -1.130 173.725 174.900 -0.074 0.000 1.302 275 G CA -0.769 44.300 45.100 -0.052 0.000 0.887 275 G HN 1.045 nan 8.290 nan 0.000 0.521 276 I N 0.983 121.384 120.570 -0.282 0.000 2.775 276 I HA 0.016 4.187 4.170 0.001 0.000 0.290 276 I C 1.100 177.075 176.117 -0.237 0.000 1.203 276 I CA 0.018 61.136 61.300 -0.304 0.000 1.433 276 I CB 0.355 37.956 38.000 -0.664 0.000 1.354 276 I HN 0.554 nan 8.210 nan 0.000 0.579 277 N N 7.574 126.224 118.700 -0.084 0.000 2.414 277 N HA 0.009 4.749 4.740 0.001 0.000 0.268 277 N C -1.635 173.820 175.510 -0.093 0.000 1.286 277 N CA -1.153 51.845 53.050 -0.088 0.000 0.896 277 N CB 0.844 39.293 38.487 -0.064 0.000 1.093 277 N HN 0.360 nan 8.380 nan 0.000 0.480 278 P HA -0.117 nan 4.420 nan 0.000 0.217 278 P C -0.520 176.839 177.300 0.098 0.000 1.148 278 P CA 1.092 64.195 63.100 0.005 0.000 0.828 278 P CB 0.143 31.829 31.700 -0.023 0.000 0.783 279 D N 0.772 121.197 120.400 0.043 0.000 2.389 279 D HA 0.012 4.652 4.640 0.001 0.000 0.247 279 D C 0.702 177.062 176.300 0.100 0.000 1.128 279 D CA 0.382 54.412 54.000 0.050 0.000 0.884 279 D CB -0.042 40.759 40.800 0.002 0.000 1.194 279 D HN 0.022 nan 8.370 nan 0.000 0.441 280 E N 0.712 120.969 120.200 0.096 0.000 2.389 280 E HA -0.272 4.078 4.350 0.001 0.000 0.243 280 E C -0.668 176.061 176.600 0.215 0.000 1.154 280 E CA 0.569 57.037 56.400 0.113 0.000 0.723 280 E CB -1.537 28.219 29.700 0.094 0.000 1.261 280 E HN 0.381 nan 8.360 nan 0.000 0.390 281 F N -0.437 119.532 119.950 0.031 0.000 2.574 281 F HA 0.604 5.131 4.527 0.001 0.000 0.313 281 F C -0.105 175.706 175.800 0.018 0.000 1.130 281 F CA 0.239 58.268 58.000 0.048 0.000 0.936 281 F CB 2.031 41.045 39.000 0.024 0.000 1.219 281 F HN -0.013 nan 8.300 nan 0.000 0.445 282 G N 4.541 112.875 108.800 -0.776 0.000 2.768 282 G HA2 0.379 4.340 3.960 0.001 0.000 0.297 282 G HA3 0.379 4.340 3.960 0.001 0.000 0.297 282 G C -2.793 171.717 174.900 -0.650 0.000 1.430 282 G CA -0.604 44.111 45.100 -0.642 0.000 1.030 282 G HN 0.694 nan 8.290 nan 0.000 0.553 283 W N 3.523 124.345 121.300 -0.797 0.000 2.715 283 W HA 0.364 5.024 4.660 0.001 0.000 0.331 283 W C -1.107 175.203 176.519 -0.348 0.000 1.031 283 W CA -0.804 56.192 57.345 -0.582 0.000 1.237 283 W CB 1.918 30.901 29.460 -0.795 0.000 1.378 283 W HN 0.398 nan 8.180 nan 0.000 0.454 284 N N 5.476 123.841 118.700 -0.558 0.000 2.401 284 N HA 0.096 4.837 4.740 0.001 0.000 0.255 284 N C -0.760 174.634 175.510 -0.194 0.000 1.110 284 N CA -0.207 52.645 53.050 -0.329 0.000 0.949 284 N CB 1.629 39.916 38.487 -0.333 0.000 1.110 284 N HN 0.262 nan 8.380 nan 0.000 0.490 285 L N 3.116 124.335 121.223 -0.007 0.000 2.287 285 L HA 0.379 4.720 4.340 0.001 0.000 0.280 285 L C 0.264 177.171 176.870 0.062 0.000 1.055 285 L CA -0.498 54.411 54.840 0.116 0.000 0.863 285 L CB 0.235 42.383 42.059 0.148 0.000 1.245 285 L HN 0.477 nan 8.230 nan 0.000 0.432 286 A N 6.310 129.161 122.820 0.051 0.000 2.296 286 A HA 0.631 4.952 4.320 0.001 0.000 0.264 286 A C -2.323 175.296 177.584 0.059 0.000 1.097 286 A CA -1.272 50.786 52.037 0.034 0.000 0.811 286 A CB -0.494 18.517 19.000 0.018 0.000 1.072 286 A HN 0.601 nan 8.150 nan 0.000 0.495 287 P HA 0.023 nan 4.420 nan 0.000 0.261 287 P C -0.222 177.113 177.300 0.059 0.000 1.173 287 P CA 0.927 64.057 63.100 0.051 0.000 0.760 287 P CB 0.333 32.055 31.700 0.036 0.000 0.783 288 Q N -1.651 118.189 119.800 0.066 0.000 2.342 288 Q HA -0.215 4.126 4.340 0.001 0.000 0.196 288 Q C 0.270 176.322 176.000 0.086 0.000 0.629 288 Q CA 1.674 57.517 55.803 0.066 0.000 1.365 288 Q CB -2.470 26.298 28.738 0.051 0.000 1.406 288 Q HN 0.661 nan 8.270 nan 0.000 0.840 289 A N 1.031 123.916 122.820 0.109 0.000 2.304 289 A HA 0.692 5.012 4.320 0.001 0.000 0.271 289 A C 0.741 178.436 177.584 0.185 0.000 1.091 289 A CA 0.738 52.867 52.037 0.152 0.000 0.812 289 A CB 0.740 19.844 19.000 0.173 0.000 1.056 289 A HN 0.405 nan 8.150 nan 0.000 0.489 290 T N -1.982 112.704 114.554 0.219 0.000 2.901 290 T HA 0.702 5.052 4.350 0.001 0.000 0.293 290 T C -1.020 173.869 174.700 0.315 0.000 1.084 290 T CA -0.486 61.754 62.100 0.233 0.000 1.008 290 T CB 1.356 70.311 68.868 0.145 0.000 1.170 290 T HN 1.083 nan 8.240 nan 0.000 0.509 291 F N 1.464 121.483 119.950 0.116 0.000 2.585 291 F HA 0.596 5.124 4.527 0.001 0.000 0.319 291 F C -0.944 174.873 175.800 0.027 0.000 1.165 291 F CA -0.603 57.387 58.000 -0.016 0.000 0.949 291 F CB 2.276 41.179 39.000 -0.163 0.000 1.218 291 F HN 0.763 nan 8.300 nan 0.000 0.453 292 Q N 4.361 123.790 119.800 -0.619 0.000 2.290 292 Q HA 0.417 4.758 4.340 0.001 0.000 0.259 292 Q C -0.431 175.160 176.000 -0.681 0.000 0.941 292 Q CA -0.477 55.066 55.803 -0.433 0.000 0.912 292 Q CB 1.503 30.071 28.738 -0.283 0.000 1.244 292 Q HN 0.730 nan 8.270 nan 0.000 0.441 293 T N 2.343 116.712 114.554 -0.307 0.000 2.882 293 T HA 0.615 4.966 4.350 0.001 0.000 0.287 293 T C -2.169 172.389 174.700 -0.236 0.000 1.014 293 T CA -1.728 60.222 62.100 -0.251 0.000 1.049 293 T CB 0.760 69.606 68.868 -0.037 0.000 1.001 293 T HN 0.461 nan 8.240 nan 0.000 0.525 294 P HA 0.119 nan 4.420 nan 0.000 0.270 294 P C -0.304 176.925 177.300 -0.118 0.000 1.227 294 P CA -0.170 62.829 63.100 -0.168 0.000 0.788 294 P CB 0.271 31.841 31.700 -0.217 0.000 0.926 295 E N 0.232 120.387 120.200 -0.074 0.000 2.227 295 E HA 0.457 4.808 4.350 0.001 0.000 0.282 295 E C -0.367 176.219 176.600 -0.023 0.000 1.015 295 E CA -0.692 55.674 56.400 -0.056 0.000 0.823 295 E CB 0.961 30.641 29.700 -0.034 0.000 1.081 295 E HN 0.384 nan 8.360 nan 0.000 0.396 296 A N 4.177 126.979 122.820 -0.031 0.000 2.310 296 A HA 0.430 4.750 4.320 0.001 0.000 0.299 296 A C -0.257 177.325 177.584 -0.003 0.000 1.147 296 A CA -0.616 51.428 52.037 0.011 0.000 0.818 296 A CB 0.473 19.489 19.000 0.027 0.000 1.096 296 A HN 0.484 nan 8.150 nan 0.000 0.495 297 I N 2.619 123.208 120.570 0.033 0.000 2.339 297 I HA 0.368 4.539 4.170 0.001 0.000 0.290 297 I C -0.674 175.416 176.117 -0.046 0.000 0.994 297 I CA -0.371 60.908 61.300 -0.033 0.000 1.191 297 I CB 0.740 38.762 38.000 0.036 0.000 1.343 297 I HN 0.394 nan 8.210 nan 0.000 0.458 298 L N 4.746 125.891 121.223 -0.129 0.000 2.334 298 L HA 0.677 5.017 4.340 0.001 0.000 0.273 298 L C 0.143 176.962 176.870 -0.085 0.000 1.013 298 L CA -0.059 54.702 54.840 -0.130 0.000 0.816 298 L CB 1.911 43.921 42.059 -0.082 0.000 1.278 298 L HN 0.663 nan 8.230 nan 0.000 0.431 299 S N 1.036 116.720 115.700 -0.026 0.000 2.547 299 S HA 0.662 5.132 4.470 0.001 0.000 0.270 299 S C -1.998 172.639 174.600 0.062 0.000 1.150 299 S CA -0.446 57.776 58.200 0.036 0.000 0.850 299 S CB 0.907 64.062 63.200 -0.076 0.000 1.118 299 S HN 0.449 nan 8.310 nan 0.000 0.461 300 Y N 1.497 121.730 120.300 -0.111 0.000 2.576 300 Y HA 0.769 5.320 4.550 0.001 0.000 0.346 300 Y C -0.592 175.165 175.900 -0.238 0.000 1.018 300 Y CA -0.228 57.649 58.100 -0.372 0.000 1.050 300 Y CB 2.263 40.277 38.460 -0.742 0.000 1.280 300 Y HN 0.699 nan 8.280 nan 0.000 0.474 301 T N 1.700 115.346 114.554 -1.514 0.000 2.942 301 T HA 0.324 4.674 4.350 0.001 0.000 0.327 301 T C -0.533 173.458 174.700 -1.182 0.000 1.360 301 T CA -0.278 61.236 62.100 -0.977 0.000 1.055 301 T CB 1.243 69.851 68.868 -0.434 0.000 1.261 301 T HN 0.637 nan 8.240 nan 0.000 0.485 302 S N 1.687 117.078 115.700 -0.515 0.000 2.535 302 S HA 0.261 4.732 4.470 0.001 0.000 0.214 302 S C 1.628 176.131 174.600 -0.161 0.000 0.980 302 S CA 0.404 58.467 58.200 -0.228 0.000 0.907 302 S CB 0.265 63.469 63.200 0.006 0.000 0.790 302 S HN 0.805 nan 8.310 nan 0.000 0.510 303 A N 1.275 123.984 122.820 -0.185 0.000 2.337 303 A HA 0.619 4.939 4.320 0.001 0.000 0.227 303 A C 1.089 178.624 177.584 -0.081 0.000 1.259 303 A CA 0.309 52.279 52.037 -0.111 0.000 0.870 303 A CB -0.721 18.208 19.000 -0.119 0.000 0.927 303 A HN 0.666 nan 8.150 nan 0.000 0.497 307 Q N 1.771 121.515 119.800 -0.094 0.000 2.096 307 Q HA 0.028 4.369 4.340 0.001 0.000 0.204 307 Q C 1.957 177.896 176.000 -0.101 0.000 0.982 307 Q CA 1.609 57.347 55.803 -0.108 0.000 0.850 307 Q CB -0.454 28.223 28.738 -0.101 0.000 0.901 307 Q HN 0.379 nan 8.270 nan 0.000 0.422 308 L N -0.175 121.001 121.223 -0.080 0.000 1.989 308 L HA -0.180 4.161 4.340 0.001 0.000 0.211 308 L C 2.231 179.062 176.870 -0.066 0.000 1.071 308 L CA 2.335 57.137 54.840 -0.063 0.000 0.749 308 L CB -1.043 41.017 42.059 0.002 0.000 0.890 308 L HN 0.190 nan 8.230 nan 0.000 0.431 309 S N -0.890 114.776 115.700 -0.057 0.000 2.370 309 S HA -0.249 4.221 4.470 0.001 0.000 0.226 309 S C 1.817 176.334 174.600 -0.138 0.000 1.033 309 S CA 1.602 59.731 58.200 -0.118 0.000 1.011 309 S CB -0.305 62.820 63.200 -0.125 0.000 0.852 309 S HN 0.586 nan 8.310 nan 0.000 0.457 310 Q N 0.920 120.646 119.800 -0.124 0.000 2.124 310 Q HA -0.107 4.234 4.340 0.001 0.000 0.202 310 Q C 1.407 177.352 176.000 -0.092 0.000 0.977 310 Q CA 0.769 56.506 55.803 -0.111 0.000 0.850 310 Q CB -0.174 28.476 28.738 -0.147 0.000 0.901 310 Q HN 0.724 nan 8.270 nan 0.000 0.429 314 S N -0.101 115.560 115.700 -0.065 0.000 2.365 314 S HA -0.171 4.300 4.470 0.001 0.000 0.225 314 S C 1.642 176.208 174.600 -0.057 0.000 1.039 314 S CA 2.071 60.254 58.200 -0.027 0.000 1.033 314 S CB -0.600 62.612 63.200 0.020 0.000 0.887 314 S HN 0.708 nan 8.310 nan 0.000 0.447 315 F N 1.594 121.408 119.950 -0.226 0.000 2.065 315 F HA -0.252 4.276 4.527 0.001 0.000 0.298 315 F C 2.008 177.654 175.800 -0.256 0.000 1.112 315 F CA 1.597 59.450 58.000 -0.245 0.000 1.212 315 F CB -0.541 38.217 39.000 -0.404 0.000 0.975 315 F HN 0.186 nan 8.300 nan 0.000 0.476 316 Y N 0.508 120.751 120.300 -0.096 0.000 2.181 316 Y HA -0.233 4.317 4.550 0.001 0.000 0.288 316 Y C 2.728 178.440 175.900 -0.315 0.000 1.146 316 Y CA 1.441 59.400 58.100 -0.235 0.000 1.164 316 Y CB -1.585 36.822 38.460 -0.089 0.000 0.982 316 Y HN 0.290 nan 8.280 nan 0.000 0.515 317 Q N 0.335 120.072 119.800 -0.105 0.000 2.124 317 Q HA -0.233 4.108 4.340 0.001 0.000 0.202 317 Q C 1.553 177.368 176.000 -0.309 0.000 0.977 317 Q CA 2.046 57.729 55.803 -0.200 0.000 0.850 317 Q CB 0.005 28.652 28.738 -0.151 0.000 0.901 317 Q HN 0.634 nan 8.270 nan 0.000 0.429 318 Q N -1.877 117.690 119.800 -0.389 0.000 2.396 318 Q HA 0.028 4.369 4.340 0.001 0.000 0.220 318 Q C 0.861 176.374 176.000 -0.812 0.000 0.900 318 Q CA 0.387 55.872 55.803 -0.530 0.000 0.925 318 Q CB 0.615 28.918 28.738 -0.725 0.000 1.065 318 Q HN 0.473 nan 8.270 nan 0.000 0.535 319 H N -1.121 117.475 119.070 -0.789 0.000 2.893 319 H HA 0.262 4.818 4.556 0.001 0.000 0.270 319 H C 0.746 175.029 175.328 -1.742 0.000 1.095 319 H CA 0.204 55.449 56.048 -1.338 0.000 1.186 319 H CB 1.359 30.115 29.762 -1.677 0.000 1.562 319 H HN 0.133 nan 8.280 nan 0.000 0.536 320 L N -0.733 119.911 121.223 -0.966 0.000 2.230 320 L HA 0.236 4.577 4.340 0.001 0.000 0.164 320 L C -0.154 176.666 176.870 -0.084 0.000 1.237 320 L CA 0.188 54.758 54.840 -0.450 0.000 1.030 320 L CB 0.142 42.081 42.059 -0.200 0.000 2.103 320 L HN -0.229 nan 8.230 nan 0.000 0.490 321 V N 3.402 123.244 119.914 -0.119 0.000 2.644 321 V HA -0.032 4.089 4.120 0.001 0.000 0.305 321 V C 0.522 176.567 176.094 -0.081 0.000 1.053 321 V CA 0.210 62.446 62.300 -0.106 0.000 1.186 321 V CB -0.486 31.280 31.823 -0.095 0.000 0.895 321 V HN 0.563 nan 8.190 nan 0.000 0.490 322 N N 7.504 126.099 118.700 -0.174 0.000 2.034 322 N HA -0.090 4.650 4.740 0.001 0.000 0.293 322 N C -1.502 173.978 175.510 -0.050 0.000 1.336 322 N CA -0.682 52.270 53.050 -0.163 0.000 0.819 322 N CB 1.053 39.510 38.487 -0.049 0.000 1.071 322 N HN 0.357 nan 8.380 nan 0.000 0.495 323 P HA -0.108 nan 4.420 nan 0.000 0.220 323 P C 1.130 178.385 177.300 -0.075 0.000 1.148 323 P CA 0.992 64.064 63.100 -0.048 0.000 0.803 323 P CB 0.217 31.861 31.700 -0.093 0.000 0.782 324 R N -1.082 119.338 120.500 -0.132 0.000 2.148 324 R HA 0.023 4.363 4.340 0.001 0.000 0.223 324 R C 1.222 177.201 176.300 -0.535 0.000 1.088 324 R CA 1.554 57.457 56.100 -0.328 0.000 0.985 324 R CB -0.966 29.098 30.300 -0.394 0.000 0.880 324 R HN 0.164 nan 8.270 nan 0.000 0.451 325 F N -1.603 118.347 119.950 0.000 0.000 2.784 325 F HA 0.436 4.964 4.527 0.001 0.000 0.323 325 F C 1.884 177.681 175.800 -0.004 0.000 1.085 325 F CA 0.170 58.187 58.000 0.028 0.000 1.196 325 F CB 0.066 39.098 39.000 0.053 0.000 1.053 325 F HN 0.065 nan 8.300 nan 0.000 0.578 326 A N -0.056 122.784 122.820 0.034 0.000 1.986 326 A HA -0.236 4.085 4.320 0.001 0.000 0.220 326 A C 1.130 178.459 177.584 -0.425 0.000 1.171 326 A CA 2.128 54.059 52.037 -0.177 0.000 0.640 326 A CB -0.932 17.867 19.000 -0.335 0.000 0.811 326 A HN 0.568 nan 8.150 nan 0.000 0.451 327 H N -1.801 117.155 119.070 -0.189 0.000 2.784 327 H HA 0.322 4.879 4.556 0.001 0.000 0.273 327 H C 0.100 175.193 175.328 -0.391 0.000 1.112 327 H CA -0.207 55.521 56.048 -0.533 0.000 1.162 327 H CB 0.445 29.969 29.762 -0.397 0.000 1.586 327 H HN 0.515 nan 8.280 nan 0.000 0.548 328 E N 2.085 122.324 120.200 0.065 0.000 2.227 328 E HA 0.077 4.428 4.350 0.001 0.000 0.282 328 E C -0.452 176.395 176.600 0.411 0.000 1.015 328 E CA -0.462 56.052 56.400 0.189 0.000 0.823 328 E CB 0.879 30.678 29.700 0.165 0.000 1.081 328 E HN 0.404 nan 8.360 nan 0.000 0.396 329 E N 2.765 123.187 120.200 0.370 0.000 2.502 329 E HA -0.056 4.295 4.350 0.001 0.000 0.261 329 E C -0.523 176.249 176.600 0.286 0.000 0.974 329 E CA 0.401 57.019 56.400 0.363 0.000 0.936 329 E CB 0.581 30.417 29.700 0.227 0.000 0.926 329 E HN 0.178 nan 8.360 nan 0.000 0.459 330 R N 3.337 123.978 120.500 0.235 0.000 2.457 330 R HA 0.294 4.635 4.340 0.001 0.000 0.284 330 R C -2.173 174.244 176.300 0.195 0.000 1.024 330 R CA -1.822 54.406 56.100 0.213 0.000 1.025 330 R CB 0.187 30.595 30.300 0.180 0.000 1.063 330 R HN 0.370 nan 8.270 nan 0.000 0.493 331 P HA 0.090 nan 4.420 nan 0.000 0.276 331 P C -0.704 176.674 177.300 0.131 0.000 1.244 331 P CA -0.390 62.794 63.100 0.140 0.000 0.801 331 P CB 0.768 32.526 31.700 0.098 0.000 1.006 332 V N 3.317 123.314 119.914 0.138 0.000 2.370 332 V HA 0.042 4.162 4.120 0.001 0.000 0.257 332 V C 0.713 176.829 176.094 0.037 0.000 1.064 332 V CA -0.139 62.232 62.300 0.118 0.000 0.975 332 V CB -0.676 31.254 31.823 0.178 0.000 1.067 332 V HN 0.358 nan 8.190 nan 0.000 0.485 333 L N 4.508 125.704 121.223 -0.046 0.000 2.387 333 L HA 0.768 5.109 4.340 0.001 0.000 0.266 333 L C -0.372 176.391 176.870 -0.178 0.000 1.059 333 L CA -0.237 54.507 54.840 -0.161 0.000 0.801 333 L CB 1.039 42.909 42.059 -0.315 0.000 1.223 333 L HN 0.439 nan 8.230 nan 0.000 0.456 334 I N 1.258 121.697 120.570 -0.218 0.000 2.603 334 I HA 0.509 4.680 4.170 0.001 0.000 0.300 334 I C -1.103 174.720 176.117 -0.489 0.000 1.017 334 I CA -0.427 60.727 61.300 -0.245 0.000 1.098 334 I CB 1.613 39.567 38.000 -0.078 0.000 1.279 334 I HN 0.850 nan 8.210 nan 0.000 0.437 335 N N 4.801 123.236 118.700 -0.441 0.000 2.240 335 N HA 0.288 5.028 4.740 0.001 0.000 0.302 335 N C -0.535 174.769 175.510 -0.343 0.000 1.106 335 N CA -0.523 52.247 53.050 -0.466 0.000 0.778 335 N CB 1.656 39.940 38.487 -0.340 0.000 1.431 335 N HN 0.734 nan 8.380 nan 0.000 0.479 336 N N 2.262 120.761 118.700 -0.335 0.000 2.236 336 N HA -0.042 4.698 4.740 0.001 0.000 0.196 336 N C 1.409 176.785 175.510 -0.222 0.000 1.114 336 N CA -0.434 52.476 53.050 -0.233 0.000 0.859 336 N CB -0.003 38.358 38.487 -0.210 0.000 0.982 336 N HN 0.639 nan 8.380 nan 0.000 0.493 337 W N 2.313 123.395 121.300 -0.364 0.000 2.322 337 W HA -0.109 4.552 4.660 0.001 0.000 0.326 337 W C 1.016 177.170 176.519 -0.608 0.000 1.224 337 W CA 1.232 58.344 57.345 -0.389 0.000 1.257 337 W CB -0.068 29.219 29.460 -0.288 0.000 1.174 337 W HN 0.109 nan 8.180 nan 0.000 0.460 338 E N 0.199 119.888 120.200 -0.851 0.000 2.347 338 E HA -0.102 4.249 4.350 0.001 0.000 0.196 338 E C 2.210 178.288 176.600 -0.869 0.000 1.008 338 E CA 0.629 56.352 56.400 -1.129 0.000 0.852 338 E CB -0.111 29.339 29.700 -0.418 0.000 0.783 338 E HN 0.318 nan 8.360 nan 0.000 0.505 339 A N 0.851 123.341 122.820 -0.550 0.000 1.872 339 A HA -0.140 4.181 4.320 0.001 0.000 0.214 339 A C 2.296 179.696 177.584 -0.306 0.000 1.187 339 A CA 2.119 53.962 52.037 -0.323 0.000 0.614 339 A CB -0.272 18.611 19.000 -0.197 0.000 0.826 339 A HN 0.354 nan 8.150 nan 0.000 0.442 340 T N -7.262 107.076 114.554 -0.361 0.000 2.980 340 T HA 0.361 4.711 4.350 0.001 0.000 0.252 340 T C 0.714 175.373 174.700 -0.069 0.000 0.962 340 T CA 0.467 62.488 62.100 -0.132 0.000 0.932 340 T CB -0.126 68.742 68.868 -0.000 0.000 1.188 340 T HN 0.410 nan 8.240 nan 0.000 0.500 341 Y N 0.731 120.862 120.300 -0.282 0.000 2.892 341 Y HA -0.333 4.218 4.550 0.001 0.000 0.465 341 Y C 1.141 177.024 175.900 -0.028 0.000 1.195 341 Y CA 0.849 58.674 58.100 -0.458 0.000 2.512 341 Y CB -1.564 36.586 38.460 -0.517 0.000 1.230 341 Y HN 0.151 nan 8.280 nan 0.000 0.633 342 F N -0.239 119.956 119.950 0.407 0.000 2.451 342 F HA 0.014 4.541 4.527 0.001 0.000 0.299 342 F C 1.143 177.048 175.800 0.175 0.000 1.101 342 F CA 1.248 59.436 58.000 0.313 0.000 1.436 342 F CB -0.288 38.794 39.000 0.136 0.000 1.074 342 F HN 0.231 nan 8.300 nan 0.000 0.553 343 D N 0.958 121.576 120.400 0.362 0.000 2.470 343 D HA 0.247 4.888 4.640 0.001 0.000 0.226 343 D C -0.479 175.989 176.300 0.280 0.000 1.196 343 D CA 0.125 54.249 54.000 0.207 0.000 0.979 343 D CB -0.535 40.361 40.800 0.160 0.000 1.059 343 D HN 0.115 nan 8.370 nan 0.000 0.515 344 F N 0.488 120.479 119.950 0.068 0.000 2.877 344 F HA 0.596 5.124 4.527 0.001 0.000 0.319 344 F C -1.436 174.344 175.800 -0.033 0.000 1.174 344 F CA -1.306 56.704 58.000 0.017 0.000 0.903 344 F CB 0.701 39.726 39.000 0.042 0.000 1.357 344 F HN 0.182 nan 8.300 nan 0.000 0.472 345 N N -1.998 116.750 118.700 0.079 0.000 3.179 345 N HA 0.179 4.920 4.740 0.001 0.000 0.250 345 N C -0.412 174.885 175.510 -0.355 0.000 1.507 345 N CA -0.501 52.432 53.050 -0.194 0.000 0.883 345 N CB 1.220 39.579 38.487 -0.213 0.000 1.435 345 N HN 0.852 nan 8.380 nan 0.000 0.532 346 E N -0.721 119.032 120.200 -0.744 0.000 2.267 346 E HA -0.184 4.167 4.350 0.001 0.000 0.197 346 E C 1.384 177.706 176.600 -0.464 0.000 0.998 346 E CA 1.398 57.278 56.400 -0.867 0.000 0.830 346 E CB -0.193 29.041 29.700 -0.777 0.000 0.751 346 E HN 0.574 nan 8.360 nan 0.000 0.491 347 A N 1.456 124.106 122.820 -0.283 0.000 1.832 347 A HA -0.160 4.160 4.320 0.001 0.000 0.214 347 A C 2.093 179.594 177.584 -0.139 0.000 1.204 347 A CA 1.546 53.483 52.037 -0.167 0.000 0.606 347 A CB -0.431 18.503 19.000 -0.110 0.000 0.849 347 A HN 0.170 nan 8.150 nan 0.000 0.445 348 K N -0.738 119.604 120.400 -0.098 0.000 2.442 348 K HA 0.089 4.410 4.320 0.001 0.000 0.198 348 K C 0.475 177.035 176.600 -0.067 0.000 1.042 348 K CA -0.004 56.252 56.287 -0.051 0.000 0.958 348 K CB -0.257 32.246 32.500 0.005 0.000 0.766 348 K HN 0.448 nan 8.250 nan 0.000 0.474 352 I N 1.991 122.555 120.570 -0.011 0.000 2.493 352 I HA -0.009 4.161 4.170 0.001 0.000 0.254 352 I C 2.484 178.628 176.117 0.044 0.000 1.160 352 I CA 0.955 62.281 61.300 0.044 0.000 1.445 352 I CB -0.261 37.819 38.000 0.133 0.000 1.086 352 I HN 0.181 nan 8.210 nan 0.000 0.433 353 V N 1.181 121.059 119.914 -0.060 0.000 2.323 353 V HA -0.251 3.870 4.120 0.001 0.000 0.244 353 V C 1.997 178.061 176.094 -0.051 0.000 1.041 353 V CA 2.062 64.297 62.300 -0.107 0.000 1.025 353 V CB -0.759 30.918 31.823 -0.243 0.000 0.656 353 V HN 0.468 nan 8.190 nan 0.000 0.451 354 N N -0.374 118.296 118.700 -0.049 0.000 2.244 354 N HA -0.244 4.497 4.740 0.001 0.000 0.183 354 N C 1.896 177.392 175.510 -0.023 0.000 1.016 354 N CA 1.117 54.146 53.050 -0.036 0.000 0.866 354 N CB -0.015 38.451 38.487 -0.035 0.000 0.980 354 N HN 0.435 nan 8.380 nan 0.000 0.430 355 Q N 1.165 120.954 119.800 -0.018 0.000 2.123 355 Q HA 0.053 4.393 4.340 0.001 0.000 0.199 355 Q C 1.888 177.875 176.000 -0.021 0.000 0.966 355 Q CA 1.309 57.101 55.803 -0.018 0.000 0.845 355 Q CB -0.163 28.566 28.738 -0.015 0.000 0.907 355 Q HN 0.299 nan 8.270 nan 0.000 0.439 356 A N 0.906 123.723 122.820 -0.004 0.000 1.873 356 A HA -0.274 4.047 4.320 0.001 0.000 0.218 356 A C 2.052 179.626 177.584 -0.016 0.000 1.193 356 A CA 2.180 54.215 52.037 -0.004 0.000 0.629 356 A CB -0.806 18.230 19.000 0.060 0.000 0.826 356 A HN 0.361 nan 8.150 nan 0.000 0.447 357 K N 0.072 120.467 120.400 -0.009 0.000 2.113 357 K HA -0.147 4.174 4.320 0.001 0.000 0.208 357 K C 2.033 178.626 176.600 -0.012 0.000 1.047 357 K CA 1.958 58.240 56.287 -0.009 0.000 0.928 357 K CB -0.376 32.117 32.500 -0.013 0.000 0.716 357 K HN 0.492 nan 8.250 nan 0.000 0.446 358 R N -0.344 120.145 120.500 -0.018 0.000 2.115 358 R HA 0.046 4.387 4.340 0.001 0.000 0.230 358 R C 2.026 178.313 176.300 -0.022 0.000 1.111 358 R CA 1.346 57.435 56.100 -0.017 0.000 0.976 358 R CB -0.181 30.108 30.300 -0.018 0.000 0.870 358 R HN 0.221 nan 8.270 nan 0.000 0.445 359 L N -1.260 119.939 121.223 -0.040 0.000 2.492 359 L HA 0.174 4.515 4.340 0.001 0.000 0.223 359 L C 1.361 178.209 176.870 -0.037 0.000 1.132 359 L CA 0.627 55.432 54.840 -0.058 0.000 0.850 359 L CB 0.124 42.108 42.059 -0.124 0.000 0.966 359 L HN 0.458 nan 8.230 nan 0.000 0.454 360 G N 0.334 109.123 108.800 -0.018 0.000 2.194 360 G HA2 -0.239 3.722 3.960 0.001 0.000 0.236 360 G HA3 -0.239 3.722 3.960 0.001 0.000 0.236 360 G C 0.422 175.331 174.900 0.016 0.000 0.987 360 G CA -0.259 44.845 45.100 0.008 0.000 0.635 360 G HN 0.215 nan 8.290 nan 0.000 0.520 361 I N 1.002 121.565 120.570 -0.013 0.000 3.141 361 I HA 0.202 4.373 4.170 0.001 0.000 0.295 361 I C 0.969 177.103 176.117 0.027 0.000 1.252 361 I CA 0.947 62.248 61.300 0.003 0.000 1.406 361 I CB 0.216 38.198 38.000 -0.030 0.000 1.333 361 I HN 0.300 nan 8.210 nan 0.000 0.594 365 V N 6.383 125.813 119.914 -0.808 0.000 2.384 365 V HA 0.449 4.570 4.120 0.001 0.000 0.287 365 V C -0.729 174.987 176.094 -0.629 0.000 1.020 365 V CA -0.736 61.203 62.300 -0.601 0.000 0.850 365 V CB 1.445 32.945 31.823 -0.537 0.000 0.987 365 V HN 0.643 nan 8.190 nan 0.000 0.436 366 L N 4.928 126.107 121.223 -0.073 0.000 2.283 366 L HA 0.513 4.854 4.340 0.001 0.000 0.287 366 L C -0.112 176.853 176.870 0.159 0.000 1.073 366 L CA 0.575 55.559 54.840 0.240 0.000 0.822 366 L CB 0.571 42.991 42.059 0.601 0.000 1.186 366 L HN 0.729 nan 8.230 nan 0.000 0.436 367 D N 2.131 122.579 120.400 0.081 0.000 2.475 367 D HA 0.120 4.761 4.640 0.001 0.000 0.286 367 D C -0.647 175.707 176.300 0.090 0.000 1.205 367 D CA -0.229 53.782 54.000 0.018 0.000 1.092 367 D CB 0.593 41.307 40.800 -0.142 0.000 1.147 367 D HN 0.664 nan 8.370 nan 0.000 0.575 368 D N -1.838 118.234 120.400 -0.546 0.000 2.525 368 D HA 0.292 4.933 4.640 0.001 0.000 0.235 368 D C 0.728 177.127 176.300 0.165 0.000 1.137 368 D CA 1.590 55.227 54.000 -0.605 0.000 0.868 368 D CB 0.713 40.794 40.800 -1.199 0.000 1.180 368 D HN 0.573 nan 8.370 nan 0.000 0.465 369 G N 3.255 112.220 108.800 0.276 0.000 2.260 369 G HA2 -0.205 3.756 3.960 0.001 0.000 0.179 369 G HA3 -0.205 3.756 3.960 0.001 0.000 0.179 369 G C 0.966 175.981 174.900 0.193 0.000 1.002 369 G CA 0.210 45.479 45.100 0.282 0.000 0.677 369 G HN 0.595 nan 8.290 nan 0.000 0.486 370 W N 1.262 122.850 121.300 0.479 0.000 3.180 370 W HA 0.539 5.200 4.660 0.001 0.000 0.254 370 W C 0.325 177.064 176.519 0.368 0.000 1.318 370 W CA 0.254 57.882 57.345 0.472 0.000 1.608 370 W CB -0.743 28.992 29.460 0.458 0.000 1.124 370 W HN 0.343 nan 8.180 nan 0.000 0.694 371 F N -0.207 119.461 119.950 -0.470 0.000 2.598 371 F HA 0.824 5.352 4.527 0.001 0.000 0.327 371 F C 1.047 176.668 175.800 -0.298 0.000 1.057 371 F CA -0.775 56.873 58.000 -0.587 0.000 0.957 371 F CB 0.655 38.810 39.000 -1.408 0.000 1.278 371 F HN 0.067 nan 8.300 nan 0.000 0.484 372 G N 1.462 110.245 108.800 -0.027 0.000 2.690 372 G HA2 -0.348 3.613 3.960 0.001 0.000 0.334 372 G HA3 -0.348 3.613 3.960 0.001 0.000 0.334 372 G C 0.317 175.253 174.900 0.059 0.000 1.250 372 G CA 0.784 45.917 45.100 0.055 0.000 0.994 372 G HN 1.663 nan 8.290 nan 0.000 0.549 373 H N 0.315 119.299 119.070 -0.143 0.000 2.549 373 H HA 0.476 5.033 4.556 0.001 0.000 0.253 373 H C 0.731 175.909 175.328 -0.249 0.000 1.170 373 H CA 0.017 55.980 56.048 -0.141 0.000 0.943 373 H CB -0.196 29.518 29.762 -0.080 0.000 1.849 373 H HN 0.550 nan 8.280 nan 0.000 0.603 374 R N 1.739 121.898 120.500 -0.568 0.000 2.357 374 R HA 0.047 4.388 4.340 0.001 0.000 0.330 374 R C -0.567 175.506 176.300 -0.379 0.000 1.102 374 R CA 0.234 55.955 56.100 -0.631 0.000 0.974 374 R CB 0.195 29.859 30.300 -1.060 0.000 1.002 374 R HN 0.277 nan 8.270 nan 0.000 0.463 375 D N 1.604 121.785 120.400 -0.365 0.000 2.502 375 D HA 0.075 4.715 4.640 0.001 0.000 0.232 375 D C -0.535 175.385 176.300 -0.633 0.000 1.137 375 D CA 0.100 53.921 54.000 -0.298 0.000 0.827 375 D CB 0.653 41.354 40.800 -0.165 0.000 1.141 375 D HN 0.439 nan 8.370 nan 0.000 0.517 376 D N 0.874 120.848 120.400 -0.710 0.000 2.374 376 D HA 0.079 4.720 4.640 0.001 0.000 0.239 376 D C 0.266 176.042 176.300 -0.873 0.000 0.991 376 D CA -0.357 53.193 54.000 -0.751 0.000 0.960 376 D CB 1.832 42.407 40.800 -0.376 0.000 1.284 376 D HN -0.173 nan 8.370 nan 0.000 0.512 377 D N -0.715 119.346 120.400 -0.565 0.000 2.332 377 D HA -0.082 4.559 4.640 0.001 0.000 0.244 377 D C 1.053 177.357 176.300 0.007 0.000 1.136 377 D CA 0.291 54.230 54.000 -0.102 0.000 0.884 377 D CB -0.417 40.512 40.800 0.214 0.000 0.906 377 D HN 0.318 nan 8.370 nan 0.000 0.520 378 T N -3.655 110.824 114.554 -0.125 0.000 3.003 378 T HA 0.165 4.516 4.350 0.001 0.000 0.261 378 T C 0.725 175.384 174.700 -0.069 0.000 1.003 378 T CA 0.273 62.332 62.100 -0.069 0.000 0.917 378 T CB 0.157 68.911 68.868 -0.190 0.000 1.084 378 T HN 0.210 nan 8.240 nan 0.000 0.522 379 T N -1.941 112.521 114.554 -0.154 0.000 2.883 379 T HA 0.599 4.949 4.350 0.001 0.000 0.301 379 T C 0.168 174.667 174.700 -0.336 0.000 1.158 379 T CA 0.123 62.099 62.100 -0.206 0.000 1.007 379 T CB 1.568 70.284 68.868 -0.254 0.000 1.186 379 T HN 0.263 nan 8.240 nan 0.000 0.499 380 S N -0.762 114.740 115.700 -0.330 0.000 2.765 380 S HA -0.139 4.332 4.470 0.001 0.000 0.266 380 S C 0.263 174.737 174.600 -0.209 0.000 1.302 380 S CA 0.534 58.498 58.200 -0.393 0.000 1.274 380 S CB -2.185 60.560 63.200 -0.759 0.000 1.559 380 S HN 0.908 nan 8.310 nan 0.000 0.658 381 L N 1.913 123.085 121.223 -0.084 0.000 2.534 381 L HA 0.441 4.781 4.340 0.001 0.000 0.271 381 L C 1.551 178.282 176.870 -0.233 0.000 1.178 381 L CA 1.138 55.904 54.840 -0.124 0.000 0.907 381 L CB 0.196 42.319 42.059 0.106 0.000 1.164 381 L HN 0.589 nan 8.230 nan 0.000 0.482 382 G N 2.064 110.464 108.800 -0.666 0.000 2.253 382 G HA2 -0.212 3.749 3.960 0.001 0.000 0.209 382 G HA3 -0.212 3.749 3.960 0.001 0.000 0.209 382 G C 0.037 174.619 174.900 -0.531 0.000 0.997 382 G CA -0.414 44.508 45.100 -0.297 0.000 0.640 382 G HN 0.605 nan 8.290 nan 0.000 0.496 383 D N 0.982 120.893 120.400 -0.814 0.000 2.631 383 D HA 0.393 5.033 4.640 0.001 0.000 0.227 383 D C -0.127 175.395 176.300 -1.297 0.000 1.146 383 D CA -0.371 53.062 54.000 -0.946 0.000 1.009 383 D CB -0.464 39.968 40.800 -0.614 0.000 1.057 383 D HN 0.511 nan 8.370 nan 0.000 0.509 384 W N 2.964 123.895 121.300 -0.616 0.000 1.664 384 W HA 0.262 4.923 4.660 0.001 0.000 0.428 384 W C -0.312 176.179 176.519 -0.046 0.000 0.726 384 W CA -0.959 56.181 57.345 -0.342 0.000 1.774 384 W CB -0.645 28.776 29.460 -0.065 0.000 1.801 384 W HN 0.035 nan 8.180 nan 0.000 0.243 385 F N -2.077 118.113 119.950 0.400 0.000 2.686 385 F HA 0.687 5.215 4.527 0.001 0.000 0.311 385 F C -0.264 175.825 175.800 0.482 0.000 1.128 385 F CA -3.095 55.178 58.000 0.455 0.000 0.946 385 F CB -0.245 38.926 39.000 0.285 0.000 1.336 385 F HN -0.306 nan 8.300 nan 0.000 0.457 386 V N 0.942 121.324 119.914 0.779 0.000 2.928 386 V HA 0.034 4.155 4.120 0.001 0.000 0.307 386 V C -0.128 176.271 176.094 0.509 0.000 1.105 386 V CA 0.232 62.909 62.300 0.627 0.000 1.223 386 V CB 0.338 32.408 31.823 0.413 0.000 0.930 386 V HN 0.790 nan 8.190 nan 0.000 0.499 387 D N 2.642 123.315 120.400 0.454 0.000 2.428 387 D HA 0.210 4.851 4.640 0.001 0.000 0.221 387 D C 0.894 177.376 176.300 0.304 0.000 1.123 387 D CA -0.112 54.075 54.000 0.311 0.000 0.869 387 D CB 1.102 42.028 40.800 0.210 0.000 1.032 387 D HN 0.574 nan 8.370 nan 0.000 0.506 388 Q N 2.201 122.137 119.800 0.226 0.000 2.488 388 Q HA -0.021 4.320 4.340 0.001 0.000 0.211 388 Q C 1.498 177.572 176.000 0.123 0.000 0.967 388 Q CA 0.524 56.439 55.803 0.187 0.000 0.926 388 Q CB 0.436 29.252 28.738 0.130 0.000 0.992 388 Q HN 0.428 nan 8.270 nan 0.000 0.506 389 R N 0.924 121.481 120.500 0.095 0.000 2.075 389 R HA -0.077 4.264 4.340 0.001 0.000 0.232 389 R C 1.629 177.929 176.300 0.000 0.000 1.126 389 R CA 1.220 57.340 56.100 0.033 0.000 0.963 389 R CB 0.121 30.425 30.300 0.007 0.000 0.858 389 R HN 0.170 nan 8.270 nan 0.000 0.435 390 K N -1.078 119.337 120.400 0.025 0.000 2.355 390 K HA 0.132 4.452 4.320 0.001 0.000 0.198 390 K C -0.210 176.225 176.600 -0.275 0.000 1.039 390 K CA 0.220 56.436 56.287 -0.118 0.000 1.075 390 K CB 0.768 33.164 32.500 -0.174 0.000 0.870 390 K HN 0.027 nan 8.250 nan 0.000 0.540 391 F N 1.268 121.272 119.950 0.089 0.000 2.646 391 F HA 0.290 4.818 4.527 0.001 0.000 0.336 391 F C -2.121 173.745 175.800 0.110 0.000 1.437 391 F CA -2.288 55.785 58.000 0.121 0.000 1.142 391 F CB 1.637 40.761 39.000 0.206 0.000 1.530 391 F HN -0.182 nan 8.300 nan 0.000 0.591 392 P HA -0.214 nan 4.420 nan 0.000 0.220 392 P C 0.552 177.916 177.300 0.107 0.000 1.155 392 P CA 1.699 64.857 63.100 0.096 0.000 0.880 392 P CB 0.251 31.970 31.700 0.032 0.000 0.790 393 D N -1.289 119.190 120.400 0.131 0.000 2.615 393 D HA 0.278 4.918 4.640 0.001 0.000 0.236 393 D C 1.239 177.660 176.300 0.201 0.000 1.233 393 D CA 0.385 54.433 54.000 0.080 0.000 0.829 393 D CB -0.141 40.566 40.800 -0.155 0.000 1.024 393 D HN 0.059 nan 8.370 nan 0.000 0.490 394 G N 1.083 110.041 108.800 0.265 0.000 2.641 394 G HA2 -0.299 3.662 3.960 0.001 0.000 0.254 394 G HA3 -0.299 3.662 3.960 0.001 0.000 0.254 394 G C 0.805 175.872 174.900 0.278 0.000 1.315 394 G CA -0.413 44.847 45.100 0.266 0.000 0.907 394 G HN 0.206 nan 8.290 nan 0.000 0.572 395 I N 1.783 122.435 120.570 0.137 0.000 2.867 395 I HA 0.022 4.193 4.170 0.001 0.000 0.265 395 I C 2.709 178.884 176.117 0.098 0.000 1.162 395 I CA 1.772 63.089 61.300 0.028 0.000 1.471 395 I CB -1.234 36.704 38.000 -0.103 0.000 1.123 395 I HN 0.756 nan 8.210 nan 0.000 0.440 396 E N 0.468 120.741 120.200 0.122 0.000 2.187 396 E HA -0.312 4.039 4.350 0.001 0.000 0.199 396 E C 1.954 178.640 176.600 0.144 0.000 1.004 396 E CA 1.567 58.036 56.400 0.115 0.000 0.813 396 E CB -0.998 28.773 29.700 0.119 0.000 0.736 396 E HN 0.633 nan 8.360 nan 0.000 0.468 397 H N -0.165 118.965 119.070 0.101 0.000 2.268 397 H HA -0.114 4.443 4.556 0.001 0.000 0.304 397 H C 2.057 177.460 175.328 0.125 0.000 1.064 397 H CA 1.358 57.474 56.048 0.114 0.000 1.316 397 H CB -0.173 29.681 29.762 0.153 0.000 1.386 397 H HN 0.130 nan 8.280 nan 0.000 0.496 398 F N 2.211 122.114 119.950 -0.079 0.000 2.091 398 F HA -0.256 4.271 4.527 0.001 0.000 0.299 398 F C 3.003 178.516 175.800 -0.477 0.000 1.103 398 F CA 1.924 59.793 58.000 -0.219 0.000 1.228 398 F CB -1.155 37.928 39.000 0.140 0.000 0.984 398 F HN 0.254 nan 8.300 nan 0.000 0.477 399 S N -0.637 114.651 115.700 -0.685 0.000 2.419 399 S HA -0.275 4.196 4.470 0.001 0.000 0.235 399 S C 2.064 176.315 174.600 -0.581 0.000 1.019 399 S CA 1.484 59.018 58.200 -1.109 0.000 0.982 399 S CB -0.755 62.121 63.200 -0.540 0.000 0.789 399 S HN 0.733 nan 8.310 nan 0.000 0.490 400 Q N 0.399 120.044 119.800 -0.259 0.000 2.096 400 Q HA 0.156 4.496 4.340 0.001 0.000 0.197 400 Q C 2.396 178.307 176.000 -0.148 0.000 0.964 400 Q CA 0.944 56.700 55.803 -0.078 0.000 0.838 400 Q CB -0.495 28.243 28.738 0.001 0.000 0.906 400 Q HN 0.739 nan 8.270 nan 0.000 0.444 401 A N -0.036 122.641 122.820 -0.238 0.000 1.986 401 A HA -0.157 4.164 4.320 0.001 0.000 0.220 401 A C 2.088 179.540 177.584 -0.220 0.000 1.171 401 A CA 1.575 53.492 52.037 -0.201 0.000 0.640 401 A CB -0.532 18.354 19.000 -0.190 0.000 0.811 401 A HN 0.303 nan 8.150 nan 0.000 0.451 402 V N -1.143 118.538 119.914 -0.389 0.000 2.379 402 V HA -0.143 3.977 4.120 0.001 0.000 0.243 402 V C 2.326 178.283 176.094 -0.228 0.000 1.035 402 V CA 1.637 63.702 62.300 -0.392 0.000 1.035 402 V CB -0.977 30.440 31.823 -0.677 0.000 0.673 402 V HN 0.631 nan 8.190 nan 0.000 0.457 403 H N 0.331 119.295 119.070 -0.177 0.000 2.457 403 H HA -0.146 4.411 4.556 0.001 0.000 0.297 403 H C 2.348 177.640 175.328 -0.060 0.000 1.092 403 H CA 1.614 57.611 56.048 -0.085 0.000 1.309 403 H CB 0.042 29.763 29.762 -0.069 0.000 1.382 403 H HN 0.547 nan 8.280 nan 0.000 0.535 404 Q N -0.457 119.367 119.800 0.041 0.000 2.302 404 Q HA -0.019 4.321 4.340 0.001 0.000 0.202 404 Q C 1.811 177.810 176.000 -0.002 0.000 0.936 404 Q CA 0.082 55.895 55.803 0.017 0.000 0.886 404 Q CB 0.434 29.173 28.738 0.002 0.000 0.986 404 Q HN 0.248 nan 8.270 nan 0.000 0.487 405 Q N 0.034 119.819 119.800 -0.026 0.000 2.515 405 Q HA 0.046 4.387 4.340 0.001 0.000 0.212 405 Q C 0.506 176.503 176.000 -0.005 0.000 0.970 405 Q CA 0.910 56.697 55.803 -0.025 0.000 0.941 405 Q CB 0.347 29.055 28.738 -0.050 0.000 0.998 405 Q HN 0.408 nan 8.270 nan 0.000 0.518 409 F N 0.735 120.588 119.950 -0.160 0.000 2.540 409 F HA 0.774 5.301 4.527 0.001 0.000 0.317 409 F C -0.438 175.300 175.800 -0.104 0.000 1.104 409 F CA -0.412 57.453 58.000 -0.225 0.000 0.913 409 F CB 2.049 40.770 39.000 -0.464 0.000 1.170 409 F HN 0.507 nan 8.300 nan 0.000 0.450 410 G N 4.965 113.307 108.800 -0.764 0.000 2.619 410 G HA2 0.675 4.636 3.960 0.001 0.000 0.296 410 G HA3 0.675 4.636 3.960 0.001 0.000 0.296 410 G C -2.276 172.182 174.900 -0.738 0.000 1.334 410 G CA -0.801 43.967 45.100 -0.554 0.000 0.934 410 G HN 0.987 nan 8.290 nan 0.000 0.476 411 L N -1.737 119.246 121.223 -0.400 0.000 2.403 411 L HA 0.935 5.275 4.340 0.001 0.000 0.253 411 L C -1.453 175.413 176.870 -0.007 0.000 1.045 411 L CA -1.494 53.163 54.840 -0.305 0.000 0.845 411 L CB 1.800 43.478 42.059 -0.635 0.000 1.447 411 L HN 0.611 nan 8.230 nan 0.000 0.411 412 W N 1.253 122.473 121.300 -0.133 0.000 2.417 412 W HA 0.755 5.416 4.660 0.001 0.000 0.317 412 W C -1.637 174.709 176.519 -0.289 0.000 1.121 412 W CA -0.079 57.258 57.345 -0.014 0.000 1.208 412 W CB 1.176 30.712 29.460 0.127 0.000 1.253 412 W HN 0.391 nan 8.180 nan 0.000 0.533 413 F N 3.129 122.584 119.950 -0.826 0.000 2.599 413 F HA 0.249 4.777 4.527 0.001 0.000 0.311 413 F C 0.029 174.798 175.800 -1.718 0.000 1.076 413 F CA -1.072 56.098 58.000 -1.383 0.000 0.937 413 F CB 2.360 40.570 39.000 -1.317 0.000 1.282 413 F HN 0.309 nan 8.300 nan 0.000 0.460 414 E N 2.366 121.784 120.200 -1.304 0.000 4.129 414 E HA 0.304 4.655 4.350 0.001 0.000 0.222 414 E C -2.166 174.217 176.600 -0.360 0.000 1.179 414 E CA -1.593 54.413 56.400 -0.656 0.000 1.334 414 E CB 0.620 30.165 29.700 -0.259 0.000 1.202 414 E HN 0.251 nan 8.360 nan 0.000 0.428 415 P HA -0.213 nan 4.420 nan 0.000 0.216 415 P C -0.244 176.977 177.300 -0.131 0.000 1.154 415 P CA 1.310 64.063 63.100 -0.579 0.000 0.865 415 P CB 0.245 31.326 31.700 -1.030 0.000 0.789 419 S N 4.168 119.933 115.700 0.107 0.000 2.537 419 S HA 0.434 4.905 4.470 0.001 0.000 0.275 419 S C 0.966 175.619 174.600 0.088 0.000 1.272 419 S CA 0.025 58.285 58.200 0.100 0.000 1.050 419 S CB 1.789 65.017 63.200 0.047 0.000 0.961 419 S HN 0.795 nan 8.310 nan 0.000 0.496 420 V N 2.225 122.190 119.914 0.083 0.000 2.324 420 V HA -0.165 3.956 4.120 0.001 0.000 0.250 420 V C 1.169 177.402 176.094 0.231 0.000 1.060 420 V CA 1.871 64.199 62.300 0.045 0.000 1.042 420 V CB -0.316 31.538 31.823 0.053 0.000 0.650 420 V HN 0.844 nan 8.190 nan 0.000 0.450 421 D N 0.732 121.230 120.400 0.162 0.000 2.517 421 D HA 0.303 4.944 4.640 0.001 0.000 0.220 421 D C -0.099 176.308 176.300 0.178 0.000 1.158 421 D CA 0.536 54.638 54.000 0.170 0.000 0.992 421 D CB -0.183 40.711 40.800 0.157 0.000 1.058 421 D HN 0.520 nan 8.370 nan 0.000 0.516 422 S N 1.439 117.251 115.700 0.188 0.000 2.615 422 S HA 0.216 4.687 4.470 0.001 0.000 0.268 422 S C 0.430 175.126 174.600 0.159 0.000 1.146 422 S CA -0.716 57.581 58.200 0.162 0.000 0.818 422 S CB 1.004 64.249 63.200 0.075 0.000 1.111 422 S HN 0.087 nan 8.310 nan 0.000 0.465 423 D N 0.715 121.210 120.400 0.158 0.000 2.310 423 D HA -0.035 4.606 4.640 0.001 0.000 0.212 423 D C 1.518 177.882 176.300 0.106 0.000 0.965 423 D CA 0.640 54.727 54.000 0.145 0.000 0.879 423 D CB -0.283 40.659 40.800 0.236 0.000 0.921 423 D HN 0.455 nan 8.370 nan 0.000 0.510 424 L N -0.989 120.313 121.223 0.132 0.000 2.131 424 L HA -0.089 4.252 4.340 0.001 0.000 0.206 424 L C 2.040 178.991 176.870 0.135 0.000 1.087 424 L CA 0.668 55.587 54.840 0.131 0.000 0.767 424 L CB -0.235 41.941 42.059 0.196 0.000 0.917 424 L HN 0.006 nan 8.230 nan 0.000 0.441 425 Y N 0.511 120.819 120.300 0.013 0.000 2.561 425 Y HA -0.114 4.436 4.550 0.001 0.000 0.291 425 Y C 2.197 178.060 175.900 -0.061 0.000 1.141 425 Y CA 0.932 59.026 58.100 -0.010 0.000 1.303 425 Y CB -0.141 38.327 38.460 0.014 0.000 1.015 425 Y HN 0.292 nan 8.280 nan 0.000 0.547 426 Q N -1.430 118.298 119.800 -0.119 0.000 2.373 426 Q HA -0.043 4.298 4.340 0.001 0.000 0.210 426 Q C 1.829 177.673 176.000 -0.261 0.000 0.913 426 Q CA 0.479 56.148 55.803 -0.223 0.000 0.911 426 Q CB 0.264 28.924 28.738 -0.130 0.000 1.040 426 Q HN 0.303 nan 8.270 nan 0.000 0.521 427 Q N -0.333 119.299 119.800 -0.278 0.000 2.250 427 Q HA 0.027 4.367 4.340 0.001 0.000 0.200 427 Q C 0.107 175.543 176.000 -0.940 0.000 0.941 427 Q CA 1.099 56.581 55.803 -0.535 0.000 0.872 427 Q CB 0.625 29.080 28.738 -0.473 0.000 0.965 427 Q HN 0.468 nan 8.270 nan 0.000 0.480 428 H N -1.496 117.329 119.070 -0.408 0.000 2.823 428 H HA 0.190 4.747 4.556 0.001 0.000 0.222 428 H C -1.955 173.224 175.328 -0.248 0.000 1.414 428 H CA -1.139 54.544 56.048 -0.609 0.000 1.289 428 H CB 0.895 29.778 29.762 -1.464 0.000 1.970 428 H HN 0.052 nan 8.280 nan 0.000 0.517 429 P HA -0.161 nan 4.420 nan 0.000 0.226 429 P C 1.092 178.534 177.300 0.236 0.000 1.146 429 P CA 1.144 64.358 63.100 0.190 0.000 0.773 429 P CB 0.269 31.880 31.700 -0.149 0.000 0.772 430 D N -2.689 117.805 120.400 0.156 0.000 2.349 430 D HA -0.118 4.523 4.640 0.001 0.000 0.224 430 D C 0.837 177.407 176.300 0.450 0.000 1.029 430 D CA 0.300 54.451 54.000 0.251 0.000 0.879 430 D CB -0.695 40.230 40.800 0.208 0.000 0.906 430 D HN 0.187 nan 8.370 nan 0.000 0.528 431 W N 0.668 122.064 121.300 0.160 0.000 3.197 431 W HA 0.324 4.984 4.660 0.001 0.000 0.274 431 W C 0.276 176.878 176.519 0.137 0.000 1.297 431 W CA -0.886 56.536 57.345 0.127 0.000 1.662 431 W CB -0.522 28.994 29.460 0.093 0.000 1.106 431 W HN -0.102 nan 8.180 nan 0.000 0.663 432 L N 0.696 122.124 121.223 0.341 0.000 2.410 432 L HA 0.109 4.449 4.340 0.001 0.000 0.273 432 L C 0.505 177.523 176.870 0.246 0.000 1.152 432 L CA 0.062 55.033 54.840 0.218 0.000 0.855 432 L CB 0.370 42.451 42.059 0.037 0.000 1.129 432 L HN -0.263 nan 8.230 nan 0.000 0.463 433 I N 4.841 125.561 120.570 0.251 0.000 2.517 433 I HA 0.089 4.260 4.170 0.001 0.000 0.285 433 I C -0.041 176.265 176.117 0.315 0.000 1.106 433 I CA 0.421 61.883 61.300 0.269 0.000 1.402 433 I CB -0.154 37.992 38.000 0.243 0.000 1.399 433 I HN 0.546 nan 8.210 nan 0.000 0.535 434 H N 5.837 125.026 119.070 0.197 0.000 3.129 434 H HA 0.421 4.977 4.556 0.001 0.000 0.342 434 H C -1.320 174.075 175.328 0.112 0.000 1.092 434 H CA -0.826 55.299 56.048 0.129 0.000 1.310 434 H CB 1.607 31.397 29.762 0.047 0.000 1.932 434 H HN 0.644 nan 8.280 nan 0.000 0.507 435 A N 5.757 128.264 122.820 -0.521 0.000 2.425 435 A HA 0.323 4.643 4.320 0.001 0.000 0.249 435 A C -1.700 175.348 177.584 -0.893 0.000 1.084 435 A CA -1.139 50.523 52.037 -0.626 0.000 0.781 435 A CB 0.353 19.141 19.000 -0.353 0.000 1.019 435 A HN 0.619 nan 8.150 nan 0.000 0.490 436 P HA -0.177 nan 4.420 nan 0.000 0.212 436 P C 0.596 177.757 177.300 -0.231 0.000 1.174 436 P CA 1.730 64.560 63.100 -0.450 0.000 0.934 436 P CB 0.122 31.543 31.700 -0.464 0.000 0.791 437 K N -0.716 119.565 120.400 -0.199 0.000 2.410 437 K HA 0.133 4.454 4.320 0.001 0.000 0.200 437 K C 0.320 176.889 176.600 -0.052 0.000 1.023 437 K CA -0.044 56.194 56.287 -0.082 0.000 1.149 437 K CB -0.317 32.144 32.500 -0.065 0.000 0.859 437 K HN 0.211 nan 8.250 nan 0.000 0.514 438 S N -0.562 115.066 115.700 -0.120 0.000 2.586 438 S HA 0.256 4.727 4.470 0.001 0.000 0.274 438 S C 0.133 174.812 174.600 0.132 0.000 1.281 438 S CA -0.814 57.358 58.200 -0.047 0.000 1.035 438 S CB 1.191 64.307 63.200 -0.140 0.000 0.962 438 S HN 0.076 nan 8.310 nan 0.000 0.512 439 T N 4.242 118.863 114.554 0.113 0.000 2.727 439 T HA 0.354 4.705 4.350 0.001 0.000 0.295 439 T C -2.433 172.378 174.700 0.184 0.000 0.915 439 T CA -0.832 61.353 62.100 0.141 0.000 1.066 439 T CB 0.096 69.017 68.868 0.089 0.000 0.891 439 T HN 0.505 nan 8.240 nan 0.000 0.516 440 P HA 0.104 nan 4.420 nan 0.000 0.265 440 P C -0.371 177.127 177.300 0.329 0.000 1.187 440 P CA -0.023 63.246 63.100 0.283 0.000 0.766 440 P CB 0.299 32.020 31.700 0.036 0.000 0.820 441 T N 5.080 119.854 114.554 0.367 0.000 2.809 441 T HA 0.407 4.757 4.350 0.001 0.000 0.296 441 T C -2.338 172.406 174.700 0.074 0.000 1.015 441 T CA -1.398 60.825 62.100 0.205 0.000 0.954 441 T CB 0.852 69.794 68.868 0.124 0.000 0.950 441 T HN 0.310 nan 8.240 nan 0.000 0.450 442 P HA 0.495 nan 4.420 nan 0.000 0.277 442 P C -0.368 176.743 177.300 -0.315 0.000 1.240 442 P CA -0.387 62.432 63.100 -0.468 0.000 0.798 442 P CB 1.089 32.623 31.700 -0.276 0.000 0.979 443 G N 1.405 109.973 108.800 -0.388 0.000 2.723 443 G HA2 0.386 4.347 3.960 0.001 0.000 0.295 443 G HA3 0.386 4.347 3.960 0.001 0.000 0.295 443 G C -0.173 174.537 174.900 -0.318 0.000 1.464 443 G CA -0.850 44.087 45.100 -0.272 0.000 1.012 443 G HN 0.568 nan 8.290 nan 0.000 0.522 444 R N 2.112 122.367 120.500 -0.407 0.000 3.405 444 R HA -0.230 4.110 4.340 0.001 0.000 0.258 444 R C 0.045 176.079 176.300 -0.442 0.000 1.030 444 R CA 1.019 56.824 56.100 -0.491 0.000 0.691 444 R CB -1.969 28.212 30.300 -0.198 0.000 1.093 444 R HN 1.128 nan 8.270 nan 0.000 0.448 445 H N -1.673 117.312 119.070 -0.142 0.000 2.626 445 H HA -0.258 4.299 4.556 0.001 0.000 0.317 445 H C 0.262 175.489 175.328 -0.167 0.000 1.140 445 H CA 1.529 57.489 56.048 -0.147 0.000 1.134 445 H CB -1.166 28.551 29.762 -0.075 0.000 1.486 445 H HN 0.786 nan 8.280 nan 0.000 0.417 446 Q N -1.183 118.442 119.800 -0.291 0.000 2.630 446 Q HA 0.716 5.056 4.340 0.001 0.000 0.295 446 Q C -1.585 174.087 176.000 -0.548 0.000 0.944 446 Q CA -1.104 54.569 55.803 -0.216 0.000 0.766 446 Q CB 1.787 30.512 28.738 -0.022 0.000 1.471 446 Q HN 0.082 nan 8.270 nan 0.000 0.416 447 F N -0.393 119.570 119.950 0.021 0.000 2.664 447 F HA 0.731 5.259 4.527 0.001 0.000 0.329 447 F C -0.525 175.322 175.800 0.077 0.000 1.090 447 F CA -1.022 56.997 58.000 0.032 0.000 0.978 447 F CB 2.109 41.097 39.000 -0.019 0.000 1.378 447 F HN 0.437 nan 8.300 nan 0.000 0.495 448 V N 3.038 123.139 119.914 0.311 0.000 2.581 448 V HA 0.568 4.688 4.120 0.001 0.000 0.303 448 V C -0.684 175.577 176.094 0.279 0.000 1.041 448 V CA -0.723 61.735 62.300 0.264 0.000 0.907 448 V CB 1.584 33.551 31.823 0.240 0.000 0.994 448 V HN 0.622 nan 8.190 nan 0.000 0.442 449 L N 4.469 125.849 121.223 0.262 0.000 2.452 449 L HA 0.319 4.660 4.340 0.001 0.000 0.267 449 L C 0.638 177.629 176.870 0.202 0.000 1.188 449 L CA 0.050 55.022 54.840 0.219 0.000 0.821 449 L CB 0.659 42.812 42.059 0.156 0.000 1.102 449 L HN 0.790 nan 8.230 nan 0.000 0.470 453 R N 1.007 121.413 120.500 -0.156 0.000 2.210 453 R HA 0.374 4.715 4.340 0.001 0.000 0.338 453 R C -2.022 174.144 176.300 -0.223 0.000 1.062 453 R CA -1.791 54.186 56.100 -0.205 0.000 0.902 453 R CB 0.902 30.995 30.300 -0.346 0.000 1.050 453 R HN 0.110 nan 8.270 nan 0.000 0.461 454 P HA -0.254 nan 4.420 nan 0.000 0.215 454 P C 0.976 178.199 177.300 -0.128 0.000 1.153 454 P CA 1.163 64.195 63.100 -0.113 0.000 0.853 454 P CB 0.217 31.881 31.700 -0.060 0.000 0.788 455 E N -0.041 120.076 120.200 -0.138 0.000 2.097 455 E HA -0.159 4.192 4.350 0.001 0.000 0.196 455 E C 1.946 178.382 176.600 -0.275 0.000 1.000 455 E CA 1.491 57.822 56.400 -0.115 0.000 0.804 455 E CB -1.650 28.039 29.700 -0.018 0.000 0.740 455 E HN 0.096 nan 8.360 nan 0.000 0.454 456 V N 1.660 121.195 119.914 -0.632 0.000 2.407 456 V HA -0.206 3.915 4.120 0.001 0.000 0.248 456 V C 2.721 178.669 176.094 -0.243 0.000 1.055 456 V CA 1.515 63.379 62.300 -0.727 0.000 1.049 456 V CB -0.297 31.006 31.823 -0.868 0.000 0.662 456 V HN 0.124 nan 8.190 nan 0.000 0.455 457 V N -0.087 119.708 119.914 -0.198 0.000 2.427 457 V HA -0.226 3.895 4.120 0.001 0.000 0.248 457 V C 2.250 178.334 176.094 -0.016 0.000 1.051 457 V CA 2.024 64.256 62.300 -0.114 0.000 1.048 457 V CB -0.629 31.120 31.823 -0.124 0.000 0.666 457 V HN 0.570 nan 8.190 nan 0.000 0.456 458 D N -0.895 119.516 120.400 0.018 0.000 2.117 458 D HA -0.190 4.451 4.640 0.001 0.000 0.198 458 D C 1.967 178.377 176.300 0.183 0.000 0.982 458 D CA 1.499 55.570 54.000 0.119 0.000 0.828 458 D CB -0.169 40.694 40.800 0.106 0.000 0.967 458 D HN 0.582 nan 8.370 nan 0.000 0.464 459 Y N 1.596 121.933 120.300 0.061 0.000 2.181 459 Y HA -0.133 4.418 4.550 0.001 0.000 0.288 459 Y C 2.168 178.116 175.900 0.079 0.000 1.146 459 Y CA 1.191 59.365 58.100 0.122 0.000 1.164 459 Y CB -0.444 38.155 38.460 0.231 0.000 0.982 459 Y HN -0.109 nan 8.280 nan 0.000 0.515 460 L N -1.338 119.839 121.223 -0.076 0.000 2.072 460 L HA -0.162 4.179 4.340 0.001 0.000 0.205 460 L C 2.299 179.033 176.870 -0.225 0.000 1.079 460 L CA 1.281 55.975 54.840 -0.244 0.000 0.752 460 L CB -0.721 41.213 42.059 -0.209 0.000 0.906 460 L HN 0.273 nan 8.230 nan 0.000 0.436 461 F N 1.183 121.009 119.950 -0.207 0.000 2.216 461 F HA -0.248 4.280 4.527 0.001 0.000 0.300 461 F C 2.411 178.134 175.800 -0.128 0.000 1.085 461 F CA 1.576 59.480 58.000 -0.159 0.000 1.326 461 F CB -0.059 38.895 39.000 -0.077 0.000 1.027 461 F HN -0.141 nan 8.300 nan 0.000 0.497 462 K N 0.662 120.936 120.400 -0.210 0.000 2.031 462 K HA 0.014 4.335 4.320 0.001 0.000 0.205 462 K C 0.922 177.355 176.600 -0.278 0.000 1.049 462 K CA 0.809 56.951 56.287 -0.242 0.000 0.939 462 K CB -0.516 31.952 32.500 -0.054 0.000 0.717 462 K HN 0.265 nan 8.250 nan 0.000 0.438 469 E N 1.040 121.152 120.200 -0.146 0.000 2.046 469 E HA -0.154 4.196 4.350 0.001 0.000 0.190 469 E C 1.924 178.533 176.600 0.016 0.000 0.982 469 E CA 1.636 58.029 56.400 -0.011 0.000 0.800 469 E CB 0.049 29.774 29.700 0.040 0.000 0.756 469 E HN 0.329 nan 8.360 nan 0.000 0.449 470 S N 0.406 116.114 115.700 0.013 0.000 2.374 470 S HA -0.181 4.290 4.470 0.001 0.000 0.227 470 S C 1.839 176.476 174.600 0.061 0.000 1.037 470 S CA 1.524 59.751 58.200 0.044 0.000 1.024 470 S CB -0.023 63.211 63.200 0.056 0.000 0.861 470 S HN 0.305 nan 8.310 nan 0.000 0.456 471 A N 0.211 123.068 122.820 0.063 0.000 2.390 471 A HA 0.373 4.694 4.320 0.001 0.000 0.232 471 A C 0.553 178.250 177.584 0.187 0.000 1.233 471 A CA 0.142 52.251 52.037 0.120 0.000 0.907 471 A CB -0.109 18.978 19.000 0.145 0.000 0.967 471 A HN 0.593 nan 8.150 nan 0.000 0.512 472 N N 0.025 118.798 118.700 0.121 0.000 2.735 472 N HA -0.141 4.600 4.740 0.001 0.000 0.248 472 N C -0.372 175.270 175.510 0.221 0.000 1.083 472 N CA 0.731 53.863 53.050 0.137 0.000 0.703 472 N CB -1.678 36.861 38.487 0.085 0.000 1.005 472 N HN 0.561 nan 8.380 nan 0.000 0.550 473 L N 0.483 121.771 121.223 0.108 0.000 2.593 473 L HA -0.080 4.261 4.340 0.001 0.000 0.287 473 L C 1.491 178.386 176.870 0.040 0.000 1.243 473 L CA 0.769 55.624 54.840 0.026 0.000 0.890 473 L CB 0.287 42.266 42.059 -0.134 0.000 1.134 473 L HN 0.085 nan 8.230 nan 0.000 0.502 474 D N 1.027 121.459 120.400 0.054 0.000 2.389 474 D HA 0.061 4.702 4.640 0.001 0.000 0.206 474 D C -0.468 175.863 176.300 0.051 0.000 1.055 474 D CA 0.632 54.688 54.000 0.093 0.000 0.856 474 D CB 0.806 41.699 40.800 0.155 0.000 0.957 474 D HN 0.429 nan 8.370 nan 0.000 0.509 475 Y N 0.124 120.281 120.300 -0.238 0.000 2.604 475 Y HA 0.435 4.985 4.550 0.001 0.000 0.331 475 Y C -2.164 173.518 175.900 -0.364 0.000 1.158 475 Y CA -0.960 56.959 58.100 -0.302 0.000 1.056 475 Y CB 1.280 39.606 38.460 -0.224 0.000 1.330 475 Y HN -0.300 nan 8.280 nan 0.000 0.457 476 I N 5.057 125.212 120.570 -0.691 0.000 2.571 476 I HA 0.335 4.506 4.170 0.001 0.000 0.289 476 I C -1.276 174.590 176.117 -0.418 0.000 1.115 476 I CA -0.958 60.099 61.300 -0.404 0.000 1.045 476 I CB 2.164 39.882 38.000 -0.470 0.000 1.238 476 I HN 0.527 nan 8.210 nan 0.000 0.424 477 K N 6.214 126.579 120.400 -0.059 0.000 2.234 477 K HA 0.196 4.516 4.320 0.001 0.000 0.277 477 K C -1.299 175.306 176.600 0.008 0.000 1.038 477 K CA -0.504 55.806 56.287 0.038 0.000 0.888 477 K CB 1.272 33.942 32.500 0.283 0.000 1.091 477 K HN 0.511 nan 8.250 nan 0.000 0.467 478 W N 7.081 128.295 121.300 -0.143 0.000 2.347 478 W HA 0.236 4.897 4.660 0.001 0.000 0.321 478 W C -0.737 175.659 176.519 -0.204 0.000 0.971 478 W CA -0.984 56.221 57.345 -0.232 0.000 1.508 478 W CB 0.109 29.478 29.460 -0.152 0.000 1.299 478 W HN 0.655 nan 8.180 nan 0.000 0.399 482 R N -1.095 119.326 120.500 -0.132 0.000 2.781 482 R HA 0.509 4.850 4.340 0.001 0.000 0.269 482 R C -1.835 174.284 176.300 -0.302 0.000 1.025 482 R CA -0.688 55.282 56.100 -0.215 0.000 0.914 482 R CB 0.863 31.097 30.300 -0.110 0.000 1.236 482 R HN -0.187 nan 8.270 nan 0.000 0.465 483 Y N 0.716 121.041 120.300 0.043 0.000 2.335 483 Y HA 0.545 5.095 4.550 0.001 0.000 0.339 483 Y C 0.681 176.589 175.900 0.013 0.000 0.987 483 Y CA -0.370 57.751 58.100 0.034 0.000 1.140 483 Y CB 1.795 40.282 38.460 0.045 0.000 1.173 483 Y HN 0.876 nan 8.280 nan 0.000 0.486 484 A N 2.523 125.426 122.820 0.138 0.000 2.583 484 A HA 0.380 4.701 4.320 0.001 0.000 0.231 484 A C 0.324 177.971 177.584 0.104 0.000 1.065 484 A CA 0.521 52.610 52.037 0.086 0.000 0.760 484 A CB -0.011 18.984 19.000 -0.008 0.000 1.001 484 A HN 0.707 nan 8.150 nan 0.000 0.509 485 T N 0.826 115.453 114.554 0.122 0.000 2.916 485 T HA 0.536 4.886 4.350 0.001 0.000 0.305 485 T C -0.718 174.067 174.700 0.141 0.000 1.119 485 T CA 0.095 62.268 62.100 0.122 0.000 1.008 485 T CB 0.806 69.750 68.868 0.127 0.000 1.129 485 T HN 0.954 nan 8.240 nan 0.000 0.480 489 S N 2.213 117.653 115.700 -0.434 0.000 2.532 489 S HA 0.501 4.971 4.470 0.001 0.000 0.299 489 S C 0.339 174.740 174.600 -0.332 0.000 1.105 489 S CA 0.077 58.169 58.200 -0.179 0.000 1.018 489 S CB 1.497 64.627 63.200 -0.118 0.000 1.021 489 S HN 0.864 nan 8.310 nan 0.000 0.483 490 S N 4.490 120.230 115.700 0.065 0.000 2.461 490 S HA -0.005 4.465 4.470 0.001 0.000 0.228 490 S C 1.714 176.339 174.600 0.042 0.000 1.005 490 S CA 0.185 58.479 58.200 0.156 0.000 0.942 490 S CB -0.285 63.076 63.200 0.268 0.000 0.776 490 S HN 0.768 nan 8.310 nan 0.000 0.514 491 R N 0.791 121.297 120.500 0.009 0.000 2.115 491 R HA 0.144 4.485 4.340 0.001 0.000 0.230 491 R C 0.204 176.469 176.300 -0.059 0.000 1.111 491 R CA 0.549 56.645 56.100 -0.007 0.000 0.976 491 R CB -0.265 30.032 30.300 -0.007 0.000 0.870 491 R HN 0.387 nan 8.270 nan 0.000 0.445 492 L N 1.378 122.525 121.223 -0.127 0.000 2.350 492 L HA 0.189 4.530 4.340 0.001 0.000 0.275 492 L C 0.579 177.349 176.870 -0.166 0.000 1.099 492 L CA -0.560 54.182 54.840 -0.163 0.000 0.808 492 L CB 1.491 43.424 42.059 -0.211 0.000 1.149 492 L HN 0.068 nan 8.230 nan 0.000 0.442 493 T N 0.539 115.014 114.554 -0.133 0.000 2.716 493 T HA -0.105 4.246 4.350 0.001 0.000 0.335 493 T C 1.322 175.952 174.700 -0.117 0.000 1.081 493 T CA 0.519 62.558 62.100 -0.102 0.000 1.073 493 T CB 0.879 69.688 68.868 -0.099 0.000 0.993 493 T HN 0.876 nan 8.240 nan 0.000 0.547 494 S N 0.314 115.977 115.700 -0.062 0.000 2.387 494 S HA -0.109 4.361 4.470 0.001 0.000 0.226 494 S C 1.423 175.983 174.600 -0.067 0.000 1.026 494 S CA 1.397 59.577 58.200 -0.035 0.000 0.972 494 S CB -0.344 62.865 63.200 0.016 0.000 0.814 494 S HN 0.622 nan 8.310 nan 0.000 0.477 495 D N 1.022 121.372 120.400 -0.084 0.000 2.350 495 D HA 0.048 4.689 4.640 0.001 0.000 0.216 495 D C 1.842 178.046 176.300 -0.160 0.000 0.968 495 D CA 0.715 54.651 54.000 -0.107 0.000 0.894 495 D CB -0.135 40.602 40.800 -0.106 0.000 0.909 495 D HN 0.607 nan 8.370 nan 0.000 0.520 496 Q N -0.623 119.069 119.800 -0.180 0.000 2.282 496 Q HA 0.062 4.403 4.340 0.001 0.000 0.206 496 Q C 1.535 177.409 176.000 -0.210 0.000 0.878 496 Q CA -0.099 55.561 55.803 -0.237 0.000 0.944 496 Q CB 0.537 29.127 28.738 -0.246 0.000 1.100 496 Q HN 0.139 nan 8.270 nan 0.000 0.509 497 Q N 0.533 120.224 119.800 -0.181 0.000 2.135 497 Q HA -0.134 4.206 4.340 0.001 0.000 0.204 497 Q C 1.725 177.674 176.000 -0.086 0.000 0.981 497 Q CA 1.124 56.827 55.803 -0.167 0.000 0.856 497 Q CB -0.126 28.527 28.738 -0.141 0.000 0.902 497 Q HN 0.434 nan 8.270 nan 0.000 0.425 498 L N 0.880 122.054 121.223 -0.081 0.000 2.633 498 L HA -0.102 4.239 4.340 0.001 0.000 0.235 498 L C 1.583 178.439 176.870 -0.024 0.000 1.163 498 L CA 0.493 55.306 54.840 -0.046 0.000 0.859 498 L CB -0.151 41.858 42.059 -0.085 0.000 0.973 498 L HN 0.198 nan 8.230 nan 0.000 0.451 499 E N -0.511 119.661 120.200 -0.047 0.000 2.474 499 E HA -0.086 4.264 4.350 0.001 0.000 0.194 499 E C 1.809 178.541 176.600 0.220 0.000 1.041 499 E CA -0.022 56.422 56.400 0.073 0.000 0.874 499 E CB 0.338 29.874 29.700 -0.274 0.000 0.914 499 E HN 0.294 nan 8.360 nan 0.000 0.498 500 L N 1.845 123.141 121.223 0.122 0.000 1.988 500 L HA -0.068 4.273 4.340 0.001 0.000 0.207 500 L C -0.987 176.022 176.870 0.231 0.000 1.071 500 L CA 2.010 56.932 54.840 0.136 0.000 0.744 500 L CB -0.887 41.206 42.059 0.057 0.000 0.893 500 L HN -0.027 nan 8.230 nan 0.000 0.433 501 P HA -0.240 nan 4.420 nan 0.000 0.216 501 P C 1.459 178.979 177.300 0.366 0.000 1.154 501 P CA 1.872 65.107 63.100 0.225 0.000 0.865 501 P CB -0.299 31.538 31.700 0.229 0.000 0.789 502 H N -0.500 118.807 119.070 0.394 0.000 2.372 502 H HA 0.068 4.625 4.556 0.001 0.000 0.301 502 H C 2.034 177.602 175.328 0.399 0.000 1.065 502 H CA 0.961 57.289 56.048 0.467 0.000 1.364 502 H CB 0.180 30.299 29.762 0.596 0.000 1.406 502 H HN -0.049 nan 8.280 nan 0.000 0.521 503 R N -0.404 120.281 120.500 0.308 0.000 2.120 503 R HA -0.186 4.155 4.340 0.001 0.000 0.234 503 R C 2.204 178.567 176.300 0.104 0.000 1.123 503 R CA 1.564 57.775 56.100 0.186 0.000 0.975 503 R CB -0.412 30.030 30.300 0.236 0.000 0.866 503 R HN 0.383 nan 8.270 nan 0.000 0.446 504 Y N 1.381 121.699 120.300 0.030 0.000 2.089 504 Y HA -0.218 4.332 4.550 0.001 0.000 0.282 504 Y C 2.069 177.906 175.900 -0.106 0.000 1.139 504 Y CA 1.365 59.455 58.100 -0.017 0.000 1.123 504 Y CB -0.219 38.255 38.460 0.023 0.000 0.980 504 Y HN -0.120 nan 8.280 nan 0.000 0.493 505 I N 0.480 121.161 120.570 0.186 0.000 2.208 505 I HA -0.329 3.841 4.170 0.001 0.000 0.245 505 I C 2.475 178.330 176.117 -0.436 0.000 1.097 505 I CA 1.538 62.723 61.300 -0.192 0.000 1.363 505 I CB -1.332 36.525 38.000 -0.239 0.000 1.051 505 I HN 0.391 nan 8.210 nan 0.000 0.413 506 L N 0.221 121.322 121.223 -0.203 0.000 2.129 506 L HA -0.183 4.158 4.340 0.001 0.000 0.212 506 L C 2.586 179.396 176.870 -0.099 0.000 1.087 506 L CA 1.509 56.302 54.840 -0.078 0.000 0.757 506 L CB -1.089 40.916 42.059 -0.091 0.000 0.896 506 L HN 0.305 nan 8.230 nan 0.000 0.434 507 G N -0.668 108.027 108.800 -0.175 0.000 2.394 507 G HA2 -0.158 3.803 3.960 0.001 0.000 0.215 507 G HA3 -0.158 3.803 3.960 0.001 0.000 0.215 507 G C 1.615 176.379 174.900 -0.227 0.000 1.165 507 G CA 0.642 45.625 45.100 -0.195 0.000 0.784 507 G HN 0.146 nan 8.290 nan 0.000 0.535 508 V N 0.382 120.094 119.914 -0.337 0.000 2.250 508 V HA -0.275 3.846 4.120 0.001 0.000 0.250 508 V C 2.538 178.514 176.094 -0.196 0.000 1.060 508 V CA 1.889 64.020 62.300 -0.283 0.000 1.030 508 V CB -0.702 30.885 31.823 -0.393 0.000 0.643 508 V HN 0.423 nan 8.190 nan 0.000 0.445 509 Y N -0.069 120.134 120.300 -0.163 0.000 2.145 509 Y HA -0.198 4.352 4.550 0.001 0.000 0.286 509 Y C 2.718 178.483 175.900 -0.226 0.000 1.145 509 Y CA 0.944 58.904 58.100 -0.233 0.000 1.148 509 Y CB -1.090 37.327 38.460 -0.072 0.000 0.981 509 Y HN 0.240 nan 8.280 nan 0.000 0.507 510 Q N 0.123 119.929 119.800 0.011 0.000 2.096 510 Q HA -0.238 4.102 4.340 0.001 0.000 0.208 510 Q C 2.539 178.484 176.000 -0.091 0.000 0.993 510 Q CA 1.524 57.300 55.803 -0.045 0.000 0.862 510 Q CB -0.944 27.753 28.738 -0.067 0.000 0.915 510 Q HN 0.510 nan 8.270 nan 0.000 0.416 511 L N -0.840 120.331 121.223 -0.087 0.000 1.994 511 L HA -0.230 4.110 4.340 0.001 0.000 0.208 511 L C 2.330 179.153 176.870 -0.077 0.000 1.071 511 L CA 1.466 56.269 54.840 -0.061 0.000 0.745 511 L CB -0.474 41.584 42.059 -0.002 0.000 0.892 511 L HN 0.265 nan 8.230 nan 0.000 0.431 512 Y N -0.365 119.777 120.300 -0.263 0.000 2.165 512 Y HA -0.343 4.208 4.550 0.001 0.000 0.286 512 Y C 2.597 178.226 175.900 -0.451 0.000 1.155 512 Y CA 1.458 59.210 58.100 -0.579 0.000 1.164 512 Y CB -0.304 37.416 38.460 -1.234 0.000 0.978 512 Y HN 0.319 nan 8.280 nan 0.000 0.513 513 A N 0.292 122.983 122.820 -0.216 0.000 1.858 513 A HA -0.228 4.093 4.320 0.001 0.000 0.216 513 A C 2.172 179.802 177.584 0.076 0.000 1.190 513 A CA 1.959 54.064 52.037 0.114 0.000 0.617 513 A CB -0.613 18.482 19.000 0.159 0.000 0.827 513 A HN 0.419 nan 8.150 nan 0.000 0.443 514 R N -0.558 119.918 120.500 -0.040 0.000 2.092 514 R HA 0.013 4.354 4.340 0.001 0.000 0.231 514 R C 2.101 178.456 176.300 0.091 0.000 1.119 514 R CA 1.294 57.312 56.100 -0.137 0.000 0.970 514 R CB -0.496 29.509 30.300 -0.492 0.000 0.864 514 R HN 0.508 nan 8.270 nan 0.000 0.440 515 L N 0.264 121.630 121.223 0.238 0.000 2.017 515 L HA -0.174 4.167 4.340 0.001 0.000 0.208 515 L C 2.661 179.814 176.870 0.473 0.000 1.073 515 L CA 1.864 56.981 54.840 0.461 0.000 0.745 515 L CB -0.984 41.266 42.059 0.319 0.000 0.894 515 L HN 0.385 nan 8.230 nan 0.000 0.432 516 T N -3.563 111.191 114.554 0.333 0.000 2.915 516 T HA -0.139 4.212 4.350 0.001 0.000 0.269 516 T C 1.790 176.638 174.700 0.247 0.000 1.071 516 T CA 0.580 62.898 62.100 0.363 0.000 1.132 516 T CB -0.163 68.900 68.868 0.326 0.000 0.878 516 T HN 0.295 nan 8.240 nan 0.000 0.479 517 Q N 1.506 121.412 119.800 0.176 0.000 2.046 517 Q HA 0.078 4.419 4.340 0.001 0.000 0.200 517 Q C 2.764 178.787 176.000 0.039 0.000 0.975 517 Q CA 1.724 57.578 55.803 0.084 0.000 0.836 517 Q CB -0.737 28.024 28.738 0.038 0.000 0.896 517 Q HN 0.720 nan 8.270 nan 0.000 0.428 518 A N -0.045 122.807 122.820 0.054 0.000 2.014 518 A HA -0.066 4.255 4.320 0.001 0.000 0.218 518 A C 0.282 177.512 177.584 -0.590 0.000 1.163 518 A CA 0.728 52.633 52.037 -0.221 0.000 0.652 518 A CB -0.090 18.864 19.000 -0.077 0.000 0.808 518 A HN 0.355 nan 8.150 nan 0.000 0.449 519 Y N -1.620 118.778 120.300 0.162 0.000 2.511 519 Y HA 0.331 4.882 4.550 0.001 0.000 0.356 519 Y C -2.134 173.866 175.900 0.166 0.000 1.002 519 Y CA -2.003 56.178 58.100 0.135 0.000 1.127 519 Y CB 0.695 39.222 38.460 0.113 0.000 1.137 519 Y HN 0.155 nan 8.280 nan 0.000 0.652 520 P HA -0.108 nan 4.420 nan 0.000 0.229 520 P C 0.636 178.056 177.300 0.200 0.000 1.150 520 P CA 1.403 64.604 63.100 0.169 0.000 0.765 520 P CB 0.351 32.083 31.700 0.053 0.000 0.783 521 N N -1.813 117.020 118.700 0.222 0.000 2.236 521 N HA 0.048 4.789 4.740 0.001 0.000 0.196 521 N C -0.187 175.542 175.510 0.365 0.000 1.114 521 N CA 0.109 53.296 53.050 0.228 0.000 0.859 521 N CB 0.292 38.859 38.487 0.133 0.000 0.982 521 N HN -0.010 nan 8.380 nan 0.000 0.493 522 V N 2.205 122.295 119.914 0.294 0.000 2.461 522 V HA 0.159 4.280 4.120 0.001 0.000 0.275 522 V C -0.003 176.062 176.094 -0.048 0.000 1.047 522 V CA -0.846 61.493 62.300 0.064 0.000 0.955 522 V CB 1.237 32.962 31.823 -0.165 0.000 0.988 522 V HN 0.073 nan 8.190 nan 0.000 0.471 523 L N 7.033 128.095 121.223 -0.269 0.000 2.313 523 L HA 0.463 4.804 4.340 0.001 0.000 0.282 523 L C -0.654 175.826 176.870 -0.651 0.000 1.092 523 L CA 0.495 54.921 54.840 -0.689 0.000 0.831 523 L CB 0.062 41.748 42.059 -0.621 0.000 1.159 523 L HN 0.411 nan 8.230 nan 0.000 0.442 524 F N 3.570 123.287 119.950 -0.387 0.000 2.421 524 F HA 0.423 4.951 4.527 0.001 0.000 0.337 524 F C 0.416 176.011 175.800 -0.341 0.000 1.105 524 F CA -0.373 57.450 58.000 -0.295 0.000 1.049 524 F CB 1.354 40.372 39.000 0.029 0.000 1.139 524 F HN 0.500 nan 8.300 nan 0.000 0.479 525 E N 2.094 122.161 120.200 -0.222 0.000 2.155 525 E HA 0.284 4.635 4.350 0.001 0.000 0.264 525 E C -0.629 176.014 176.600 0.071 0.000 0.886 525 E CA -0.573 55.783 56.400 -0.073 0.000 0.752 525 E CB 1.180 30.856 29.700 -0.039 0.000 1.133 525 E HN 0.599 nan 8.360 nan 0.000 0.414 526 S N 3.586 119.313 115.700 0.045 0.000 2.568 526 S HA 0.198 4.669 4.470 0.001 0.000 0.282 526 S C -0.397 174.264 174.600 0.101 0.000 1.338 526 S CA -0.378 57.835 58.200 0.021 0.000 1.045 526 S CB 0.810 63.920 63.200 -0.149 0.000 0.873 526 S HN 0.621 nan 8.310 nan 0.000 0.516 527 C N 2.895 122.274 119.300 0.131 0.000 3.090 527 C HA 0.786 5.247 4.460 0.001 0.000 0.347 527 C C -0.891 174.217 174.990 0.197 0.000 1.147 527 C CA 0.262 59.421 59.018 0.234 0.000 1.305 527 C CB 0.716 28.638 27.740 0.304 0.000 1.692 527 C HN 1.393 nan 8.230 nan 0.000 0.506 528 A N 3.948 126.899 122.820 0.218 0.000 3.005 528 A HA 0.612 4.933 4.320 0.001 0.000 0.308 528 A C 0.336 178.109 177.584 0.314 0.000 1.173 528 A CA 0.456 52.601 52.037 0.179 0.000 0.796 528 A CB 0.106 19.139 19.000 0.054 0.000 1.325 528 A HN 1.893 nan 8.150 nan 0.000 0.467 529 S N 0.584 116.526 115.700 0.403 0.000 3.491 529 S HA -0.077 4.394 4.470 0.001 0.000 0.371 529 S C 1.200 176.219 174.600 0.699 0.000 0.980 529 S CA 1.992 60.534 58.200 0.569 0.000 1.204 529 S CB -1.400 62.123 63.200 0.539 0.000 0.915 529 S HN 2.712 nan 8.310 nan 0.000 0.482 530 G N -0.488 108.635 108.800 0.539 0.000 2.470 530 G HA2 0.292 4.252 3.960 0.001 0.000 0.286 530 G HA3 0.292 4.252 3.960 0.001 0.000 0.286 530 G C 0.914 175.912 174.900 0.164 0.000 1.115 530 G CA 0.539 45.813 45.100 0.290 0.000 1.122 530 G HN 2.152 nan 8.290 nan 0.000 0.522 531 G N -1.212 107.689 108.800 0.167 0.000 2.353 531 G HA2 0.227 4.188 3.960 0.001 0.000 0.294 531 G HA3 0.227 4.188 3.960 0.001 0.000 0.294 531 G C 1.212 176.020 174.900 -0.153 0.000 1.077 531 G CA 0.913 46.072 45.100 0.099 0.000 1.098 531 G HN 2.100 nan 8.290 nan 0.000 0.511 532 G N -0.752 107.767 108.800 -0.469 0.000 3.371 532 G HA2 0.439 4.400 3.960 0.001 0.000 0.248 532 G HA3 0.439 4.400 3.960 0.001 0.000 0.248 532 G C 0.841 175.656 174.900 -0.140 0.000 1.161 532 G CA -0.073 44.582 45.100 -0.741 0.000 0.796 532 G HN 0.566 nan 8.290 nan 0.000 0.539 533 R N -0.298 120.166 120.500 -0.060 0.000 2.522 533 R HA 0.077 4.418 4.340 0.001 0.000 0.418 533 R C -1.033 175.235 176.300 -0.054 0.000 0.973 533 R CA -0.551 55.533 56.100 -0.027 0.000 1.096 533 R CB -0.033 30.243 30.300 -0.041 0.000 1.449 533 R HN 0.207 nan 8.270 nan 0.000 0.622 534 F N 3.297 123.135 119.950 -0.187 0.000 2.619 534 F HA 0.109 4.637 4.527 0.001 0.000 0.350 534 F C -0.092 175.481 175.800 -0.379 0.000 1.259 534 F CA -0.316 57.505 58.000 -0.299 0.000 1.204 534 F CB -0.038 38.760 39.000 -0.336 0.000 1.556 534 F HN 0.231 nan 8.300 nan 0.000 0.650 535 D N 1.622 121.835 120.400 -0.310 0.000 2.583 535 D HA 0.224 4.865 4.640 0.001 0.000 0.248 535 D C 0.348 176.550 176.300 -0.163 0.000 1.209 535 D CA -0.757 53.160 54.000 -0.139 0.000 0.848 535 D CB 0.788 41.551 40.800 -0.061 0.000 1.431 535 D HN 0.187 nan 8.370 nan 0.000 0.436 536 L N 0.420 121.606 121.223 -0.062 0.000 2.275 536 L HA 0.158 4.498 4.340 0.001 0.000 0.215 536 L C 1.721 178.511 176.870 -0.134 0.000 1.119 536 L CA 1.023 55.771 54.840 -0.152 0.000 0.790 536 L CB -0.770 41.172 42.059 -0.195 0.000 0.919 536 L HN 0.612 nan 8.230 nan 0.000 0.443 541 Y N 1.183 121.365 120.300 -0.198 0.000 2.262 541 Y HA 0.575 5.125 4.550 0.001 0.000 0.295 541 Y C 1.121 176.874 175.900 -0.244 0.000 1.121 541 Y CA 0.845 58.770 58.100 -0.293 0.000 1.144 541 Y CB 0.080 38.207 38.460 -0.554 0.000 1.043 541 Y HN 0.132 nan 8.280 nan 0.000 0.528 542 A N 1.357 124.083 122.820 -0.156 0.000 2.285 542 A HA 0.422 4.742 4.320 0.001 0.000 0.310 542 A C -2.087 175.423 177.584 -0.124 0.000 1.266 542 A CA -1.432 50.558 52.037 -0.078 0.000 0.832 542 A CB 0.459 19.412 19.000 -0.078 0.000 1.163 542 A HN 0.077 nan 8.150 nan 0.000 0.499 543 P HA 0.002 nan 4.420 nan 0.000 0.249 543 P C -0.266 176.990 177.300 -0.073 0.000 1.241 543 P CA 0.644 63.706 63.100 -0.063 0.000 0.781 543 P CB 0.035 31.754 31.700 0.032 0.000 1.088 544 Q N -1.361 118.380 119.800 -0.099 0.000 2.482 544 Q HA 0.779 5.119 4.340 0.001 0.000 0.286 544 Q C -1.851 174.084 176.000 -0.108 0.000 1.007 544 Q CA -1.255 54.498 55.803 -0.084 0.000 0.801 544 Q CB 1.833 30.582 28.738 0.019 0.000 1.455 544 Q HN -0.113 nan 8.270 nan 0.000 0.398 545 A N 0.947 123.706 122.820 -0.102 0.000 2.475 545 A HA 0.511 4.832 4.320 0.001 0.000 0.301 545 A C -1.841 175.898 177.584 0.258 0.000 1.059 545 A CA -0.714 51.306 52.037 -0.029 0.000 0.710 545 A CB 1.292 20.063 19.000 -0.383 0.000 1.288 545 A HN 0.810 nan 8.150 nan 0.000 0.408 546 W N 4.056 125.402 121.300 0.077 0.000 2.598 546 W HA 0.112 4.773 4.660 0.001 0.000 0.396 546 W C 0.308 176.906 176.519 0.132 0.000 1.142 546 W CA 0.409 57.795 57.345 0.070 0.000 1.568 546 W CB 0.433 29.938 29.460 0.074 0.000 1.637 546 W HN 0.906 nan 8.180 nan 0.000 0.417 547 T N 2.654 117.155 114.554 -0.087 0.000 2.602 547 T HA -0.286 4.065 4.350 0.001 0.000 0.264 547 T C 0.736 175.159 174.700 -0.462 0.000 1.085 547 T CA 2.009 63.934 62.100 -0.291 0.000 1.164 547 T CB -0.213 68.415 68.868 -0.399 0.000 0.860 547 T HN 0.409 nan 8.240 nan 0.000 0.442 548 S N -1.258 113.953 115.700 -0.814 0.000 2.547 548 S HA 0.298 4.768 4.470 0.001 0.000 0.270 548 S C -0.679 173.455 174.600 -0.777 0.000 1.150 548 S CA -0.747 57.088 58.200 -0.608 0.000 0.850 548 S CB 1.659 64.600 63.200 -0.432 0.000 1.118 548 S HN 0.099 nan 8.310 nan 0.000 0.461 549 D N 1.278 121.480 120.400 -0.329 0.000 2.312 549 D HA 0.040 4.681 4.640 0.001 0.000 0.211 549 D C -0.023 176.225 176.300 -0.088 0.000 0.964 549 D CA 0.693 54.721 54.000 0.046 0.000 0.877 549 D CB 0.033 41.055 40.800 0.370 0.000 0.924 549 D HN 0.542 nan 8.370 nan 0.000 0.515 550 D N 0.368 120.565 120.400 -0.338 0.000 2.346 550 D HA -0.009 4.631 4.640 0.001 0.000 0.260 550 D C 0.930 177.115 176.300 -0.193 0.000 1.252 550 D CA 0.337 54.177 54.000 -0.267 0.000 0.895 550 D CB 0.819 41.434 40.800 -0.309 0.000 1.097 550 D HN 0.043 nan 8.370 nan 0.000 0.489 551 T N 0.039 114.550 114.554 -0.073 0.000 3.054 551 T HA 0.079 4.430 4.350 0.001 0.000 0.255 551 T C 0.523 175.185 174.700 -0.064 0.000 1.035 551 T CA -0.655 61.425 62.100 -0.032 0.000 0.941 551 T CB 0.079 69.023 68.868 0.126 0.000 1.026 551 T HN 0.258 nan 8.240 nan 0.000 0.533 552 D N 1.164 121.507 120.400 -0.095 0.000 2.417 552 D HA 0.466 5.107 4.640 0.001 0.000 0.250 552 D C 1.554 177.762 176.300 -0.153 0.000 1.166 552 D CA 0.316 54.240 54.000 -0.127 0.000 0.881 552 D CB 0.863 41.576 40.800 -0.146 0.000 1.164 552 D HN 0.178 nan 8.370 nan 0.000 0.467 553 A N 3.986 126.709 122.820 -0.162 0.000 1.948 553 A HA -0.175 4.145 4.320 0.001 0.000 0.220 553 A C 2.119 179.589 177.584 -0.190 0.000 1.177 553 A CA 2.082 54.022 52.037 -0.161 0.000 0.636 553 A CB -0.897 18.024 19.000 -0.132 0.000 0.815 553 A HN 0.713 nan 8.150 nan 0.000 0.449 554 A N -0.946 121.732 122.820 -0.236 0.000 1.930 554 A HA -0.023 4.297 4.320 0.001 0.000 0.215 554 A C 1.919 179.412 177.584 -0.151 0.000 1.176 554 A CA 1.291 53.211 52.037 -0.196 0.000 0.632 554 A CB -0.301 18.532 19.000 -0.279 0.000 0.819 554 A HN 0.445 nan 8.150 nan 0.000 0.445 555 E N -0.044 120.070 120.200 -0.144 0.000 2.150 555 E HA -0.118 4.233 4.350 0.001 0.000 0.193 555 E C 2.042 178.589 176.600 -0.089 0.000 0.985 555 E CA 0.506 56.854 56.400 -0.087 0.000 0.814 555 E CB -0.252 29.398 29.700 -0.084 0.000 0.752 555 E HN 0.314 nan 8.360 nan 0.000 0.466 556 R N 0.489 120.915 120.500 -0.122 0.000 2.090 556 R HA -0.039 4.301 4.340 0.001 0.000 0.228 556 R C 2.321 178.580 176.300 -0.069 0.000 1.110 556 R CA 0.251 56.283 56.100 -0.114 0.000 0.973 556 R CB -0.821 29.399 30.300 -0.133 0.000 0.869 556 R HN 0.149 nan 8.270 nan 0.000 0.440 557 L N 0.568 121.718 121.223 -0.123 0.000 2.021 557 L HA -0.205 4.135 4.340 0.001 0.000 0.215 557 L C 2.138 178.985 176.870 -0.038 0.000 1.074 557 L CA 1.616 56.376 54.840 -0.133 0.000 0.760 557 L CB -0.823 41.067 42.059 -0.282 0.000 0.889 557 L HN 0.084 nan 8.230 nan 0.000 0.433 558 L N -1.731 119.427 121.223 -0.108 0.000 2.240 558 L HA -0.090 4.251 4.340 0.001 0.000 0.211 558 L C 2.250 179.196 176.870 0.126 0.000 1.106 558 L CA 1.267 56.024 54.840 -0.138 0.000 0.793 558 L CB -0.375 41.478 42.059 -0.344 0.000 0.927 558 L HN 0.178 nan 8.230 nan 0.000 0.446 559 I N -1.538 119.079 120.570 0.077 0.000 2.400 559 I HA -0.202 3.968 4.170 0.001 0.000 0.248 559 I C 2.293 178.455 176.117 0.074 0.000 1.109 559 I CA 0.751 62.102 61.300 0.085 0.000 1.425 559 I CB -0.231 37.752 38.000 -0.029 0.000 1.094 559 I HN 0.287 nan 8.210 nan 0.000 0.425 560 Q N 0.136 119.977 119.800 0.068 0.000 2.119 560 Q HA -0.183 4.158 4.340 0.001 0.000 0.201 560 Q C 2.179 178.282 176.000 0.171 0.000 0.972 560 Q CA 1.522 57.351 55.803 0.042 0.000 0.847 560 Q CB -0.200 28.566 28.738 0.048 0.000 0.903 560 Q HN 0.406 nan 8.270 nan 0.000 0.433 561 F N 1.122 121.223 119.950 0.251 0.000 2.134 561 F HA -0.087 4.441 4.527 0.001 0.000 0.299 561 F C 2.145 178.233 175.800 0.481 0.000 1.097 561 F CA 1.635 59.876 58.000 0.401 0.000 1.264 561 F CB -0.357 38.850 39.000 0.344 0.000 1.001 561 F HN 0.049 nan 8.300 nan 0.000 0.479 562 G N -1.497 107.755 108.800 0.753 0.000 2.422 562 G HA2 -0.183 3.778 3.960 0.001 0.000 0.218 562 G HA3 -0.183 3.778 3.960 0.001 0.000 0.218 562 G C 1.576 176.667 174.900 0.318 0.000 1.140 562 G CA 1.291 46.835 45.100 0.739 0.000 0.775 562 G HN 0.368 nan 8.290 nan 0.000 0.545 563 T N 1.304 115.911 114.554 0.089 0.000 2.942 563 T HA -0.073 4.278 4.350 0.001 0.000 0.265 563 T C 2.799 177.440 174.700 -0.099 0.000 1.062 563 T CA 1.393 63.438 62.100 -0.091 0.000 1.139 563 T CB -0.227 68.468 68.868 -0.288 0.000 0.883 563 T HN 0.496 nan 8.240 nan 0.000 0.468 564 S N 0.950 116.535 115.700 -0.193 0.000 2.440 564 S HA -0.177 4.294 4.470 0.001 0.000 0.238 564 S C 1.702 176.089 174.600 -0.355 0.000 1.010 564 S CA 0.752 58.723 58.200 -0.381 0.000 0.972 564 S CB -0.938 61.881 63.200 -0.635 0.000 0.774 564 S HN 0.550 nan 8.310 nan 0.000 0.501 565 Y N 2.146 122.314 120.300 -0.220 0.000 2.128 565 Y HA 0.004 4.555 4.550 0.001 0.000 0.284 565 Y C 2.840 178.370 175.900 -0.617 0.000 1.154 565 Y CA 1.520 59.502 58.100 -0.196 0.000 1.149 565 Y CB -0.735 37.754 38.460 0.047 0.000 0.976 565 Y HN 0.494 nan 8.280 nan 0.000 0.505 566 G N -3.122 105.183 108.800 -0.825 0.000 2.833 566 G HA2 0.106 4.066 3.960 0.001 0.000 0.210 566 G HA3 0.106 4.066 3.960 0.001 0.000 0.210 566 G C -0.669 173.504 174.900 -1.212 0.000 1.139 566 G CA 0.049 44.145 45.100 -1.674 0.000 0.771 566 G HN 0.243 nan 8.290 nan 0.000 0.535 567 Y N -0.092 120.035 120.300 -0.287 0.000 2.470 567 Y HA 0.447 4.997 4.550 0.001 0.000 0.341 567 Y C -2.472 173.340 175.900 -0.146 0.000 1.021 567 Y CA -2.604 55.429 58.100 -0.111 0.000 1.025 567 Y CB 1.946 40.445 38.460 0.064 0.000 1.266 567 Y HN -0.147 nan 8.280 nan 0.000 0.448 568 P HA -0.018 nan 4.420 nan 0.000 0.269 568 P C 0.559 177.798 177.300 -0.103 0.000 1.209 568 P CA -0.324 62.739 63.100 -0.063 0.000 0.776 568 P CB 0.888 32.607 31.700 0.032 0.000 0.876 569 Q N 1.944 121.596 119.800 -0.248 0.000 2.234 569 Q HA -0.145 4.195 4.340 0.001 0.000 0.206 569 Q C 0.663 176.611 176.000 -0.087 0.000 0.980 569 Q CA 1.282 56.955 55.803 -0.217 0.000 0.869 569 Q CB -0.962 27.618 28.738 -0.263 0.000 0.912 569 Q HN 0.462 nan 8.270 nan 0.000 0.436 574 A N 1.584 124.497 122.820 0.156 0.000 2.429 574 A HA 0.824 5.145 4.320 0.001 0.000 0.289 574 A C -0.994 176.728 177.584 0.230 0.000 1.043 574 A CA -0.604 51.468 52.037 0.059 0.000 0.722 574 A CB 0.825 19.814 19.000 -0.017 0.000 1.243 574 A HN 0.847 nan 8.150 nan 0.000 0.415 575 H N 0.993 120.164 119.070 0.168 0.000 2.495 575 H HA 0.463 5.020 4.556 0.001 0.000 0.348 575 H C -0.455 174.800 175.328 -0.123 0.000 1.113 575 H CA -1.191 54.867 56.048 0.016 0.000 1.195 575 H CB 2.144 32.012 29.762 0.177 0.000 1.521 575 H HN 0.420 nan 8.280 nan 0.000 0.509 576 V N 3.675 123.439 119.914 -0.250 0.000 2.479 576 V HA 0.029 4.150 4.120 0.001 0.000 0.281 576 V C 0.470 176.533 176.094 -0.051 0.000 1.031 576 V CA 0.261 62.424 62.300 -0.229 0.000 1.038 576 V CB 0.420 31.990 31.823 -0.422 0.000 0.981 576 V HN 0.867 nan 8.190 nan 0.000 0.478 577 S N 4.365 120.065 115.700 0.001 0.000 2.709 577 S HA 0.904 5.374 4.470 0.001 0.000 0.302 577 S C -0.187 174.423 174.600 0.016 0.000 1.127 577 S CA -0.383 57.836 58.200 0.032 0.000 0.905 577 S CB 1.907 65.146 63.200 0.066 0.000 1.151 577 S HN 1.142 nan 8.310 nan 0.000 0.510 578 A N 0.287 123.112 122.820 0.008 0.000 2.386 578 A HA 0.657 4.978 4.320 0.001 0.000 0.248 578 A C -0.340 177.247 177.584 0.004 0.000 1.082 578 A CA -0.538 51.501 52.037 0.003 0.000 0.789 578 A CB 0.110 19.103 19.000 -0.012 0.000 1.025 578 A HN 0.937 nan 8.150 nan 0.000 0.490 579 V N 3.342 123.260 119.914 0.006 0.000 2.735 579 V HA 0.479 4.599 4.120 0.001 0.000 0.310 579 V C -1.983 174.118 176.094 0.012 0.000 1.061 579 V CA -1.200 61.103 62.300 0.005 0.000 0.913 579 V CB 1.998 33.822 31.823 0.002 0.000 1.005 579 V HN 1.002 nan 8.190 nan 0.000 0.428 580 P HA 0.076 nan 4.420 nan 0.000 0.271 580 P C -0.136 177.169 177.300 0.009 0.000 1.220 580 P CA -0.220 62.885 63.100 0.008 0.000 0.768 580 P CB 0.314 32.024 31.700 0.016 0.000 0.848 581 N N 2.976 121.671 118.700 -0.007 0.000 2.131 581 N HA -0.146 4.594 4.740 0.001 0.000 0.276 581 N C 0.559 176.089 175.510 0.034 0.000 1.295 581 N CA 0.354 53.404 53.050 0.001 0.000 0.818 581 N CB 0.386 38.853 38.487 -0.033 0.000 1.049 581 N HN 0.302 nan 8.380 nan 0.000 0.484 582 D N 2.305 122.743 120.400 0.064 0.000 2.178 582 D HA -0.114 4.527 4.640 0.001 0.000 0.201 582 D C 0.368 176.741 176.300 0.121 0.000 0.980 582 D CA 1.356 55.417 54.000 0.103 0.000 0.842 582 D CB 0.359 41.253 40.800 0.157 0.000 0.948 582 D HN 0.651 nan 8.370 nan 0.000 0.472 586 R N 0.788 121.258 120.500 -0.050 0.000 2.490 586 R HA 0.627 4.968 4.340 0.001 0.000 0.278 586 R C -0.330 175.922 176.300 -0.080 0.000 1.069 586 R CA -0.351 55.689 56.100 -0.099 0.000 1.080 586 R CB 0.444 30.591 30.300 -0.254 0.000 1.030 586 R HN 0.093 nan 8.270 nan 0.000 0.491 587 I N 4.229 124.779 120.570 -0.034 0.000 2.339 587 I HA 0.244 4.414 4.170 0.001 0.000 0.290 587 I C -0.325 175.804 176.117 0.020 0.000 0.994 587 I CA -0.569 60.734 61.300 0.006 0.000 1.191 587 I CB 1.812 39.845 38.000 0.055 0.000 1.343 587 I HN 0.692 nan 8.210 nan 0.000 0.458 588 T N 2.318 116.865 114.554 -0.011 0.000 2.932 588 T HA 0.349 4.699 4.350 0.001 0.000 0.289 588 T C 0.100 174.833 174.700 0.056 0.000 1.039 588 T CA -0.839 61.278 62.100 0.028 0.000 1.024 588 T CB 1.719 70.549 68.868 -0.064 0.000 1.090 588 T HN 0.631 nan 8.240 nan 0.000 0.496 589 S N 0.966 116.716 115.700 0.083 0.000 2.564 589 S HA 0.142 4.612 4.470 0.001 0.000 0.278 589 S C 1.243 175.859 174.600 0.027 0.000 1.333 589 S CA -0.772 57.462 58.200 0.057 0.000 1.048 589 S CB 0.322 63.556 63.200 0.057 0.000 0.900 589 S HN 0.665 nan 8.310 nan 0.000 0.505 590 L N 2.638 123.877 121.223 0.026 0.000 2.127 590 L HA -0.062 4.279 4.340 0.001 0.000 0.211 590 L C 2.486 179.363 176.870 0.011 0.000 1.089 590 L CA 1.986 56.840 54.840 0.024 0.000 0.757 590 L CB -0.689 41.395 42.059 0.042 0.000 0.899 590 L HN 0.978 nan 8.230 nan 0.000 0.434 591 K N -1.408 118.996 120.400 0.006 0.000 2.026 591 K HA -0.174 4.147 4.320 0.001 0.000 0.208 591 K C 1.844 178.431 176.600 -0.022 0.000 1.048 591 K CA 1.966 58.248 56.287 -0.008 0.000 0.929 591 K CB -0.221 32.252 32.500 -0.045 0.000 0.713 591 K HN 0.377 nan 8.250 nan 0.000 0.439 592 T N 0.936 115.481 114.554 -0.015 0.000 2.770 592 T HA -0.043 4.307 4.350 0.001 0.000 0.263 592 T C 1.830 176.525 174.700 -0.008 0.000 1.039 592 T CA 1.109 63.225 62.100 0.026 0.000 1.142 592 T CB -0.129 68.777 68.868 0.064 0.000 0.868 592 T HN 0.324 nan 8.240 nan 0.000 0.435 593 R N 0.575 121.048 120.500 -0.046 0.000 2.103 593 R HA -0.081 4.260 4.340 0.001 0.000 0.242 593 R C 2.771 178.961 176.300 -0.184 0.000 1.142 593 R CA 1.459 57.502 56.100 -0.094 0.000 0.960 593 R CB -0.816 29.439 30.300 -0.075 0.000 0.858 593 R HN 0.436 nan 8.270 nan 0.000 0.439 594 G N 0.952 109.613 108.800 -0.233 0.000 2.484 594 G HA2 -0.254 3.707 3.960 0.001 0.000 0.215 594 G HA3 -0.254 3.707 3.960 0.001 0.000 0.215 594 G C 1.607 175.944 174.900 -0.939 0.000 1.219 594 G CA 0.802 45.587 45.100 -0.525 0.000 0.791 594 G HN 0.407 nan 8.290 nan 0.000 0.550 595 A N -0.068 122.456 122.820 -0.493 0.000 1.997 595 A HA -0.039 4.282 4.320 0.001 0.000 0.221 595 A C 2.558 180.341 177.584 0.332 0.000 1.172 595 A CA 2.140 54.168 52.037 -0.014 0.000 0.645 595 A CB -0.622 18.579 19.000 0.335 0.000 0.813 595 A HN 0.333 nan 8.150 nan 0.000 0.454 596 V N -0.860 119.144 119.914 0.151 0.000 2.548 596 V HA -0.122 3.999 4.120 0.001 0.000 0.249 596 V C 2.820 179.001 176.094 0.144 0.000 1.055 596 V CA 1.651 64.053 62.300 0.170 0.000 1.065 596 V CB -0.855 30.919 31.823 -0.081 0.000 0.681 596 V HN 0.608 nan 8.190 nan 0.000 0.462 597 A N -0.894 121.856 122.820 -0.116 0.000 2.169 597 A HA 0.018 4.339 4.320 0.001 0.000 0.212 597 A C 1.846 179.359 177.584 -0.118 0.000 1.153 597 A CA 0.626 52.568 52.037 -0.159 0.000 0.756 597 A CB -0.501 18.320 19.000 -0.300 0.000 0.813 597 A HN 0.432 nan 8.150 nan 0.000 0.471 598 F N -0.733 119.192 119.950 -0.042 0.000 2.234 598 F HA 0.006 4.534 4.527 0.001 0.000 0.299 598 F C 0.676 176.293 175.800 -0.305 0.000 1.087 598 F CA 0.314 58.059 58.000 -0.425 0.000 1.340 598 F CB -0.800 37.682 39.000 -0.864 0.000 1.031 598 F HN 0.215 nan 8.300 nan 0.000 0.500 599 F N 0.542 120.579 119.950 0.145 0.000 2.733 599 F HA 0.503 5.031 4.527 0.001 0.000 0.344 599 F C 0.909 176.671 175.800 -0.064 0.000 1.179 599 F CA -0.057 57.976 58.000 0.055 0.000 1.316 599 F CB -0.483 38.310 39.000 -0.344 0.000 1.577 599 F HN -0.021 nan 8.300 nan 0.000 0.591 600 G N -0.650 108.218 108.800 0.114 0.000 2.364 600 G HA2 0.128 4.089 3.960 0.001 0.000 0.286 600 G HA3 0.128 4.089 3.960 0.001 0.000 0.286 600 G C -1.826 173.137 174.900 0.105 0.000 1.241 600 G CA -0.876 44.256 45.100 0.053 0.000 0.887 600 G HN -0.098 nan 8.290 nan 0.000 0.484 601 D N 1.469 121.928 120.400 0.100 0.000 2.479 601 D HA 0.376 5.017 4.640 0.001 0.000 0.218 601 D C 0.430 176.791 176.300 0.101 0.000 1.131 601 D CA -0.223 53.865 54.000 0.146 0.000 0.916 601 D CB 1.614 42.502 40.800 0.148 0.000 1.022 601 D HN 0.327 nan 8.370 nan 0.000 0.515 602 L N 1.935 123.108 121.223 -0.084 0.000 2.529 602 L HA 0.314 4.655 4.340 0.001 0.000 0.287 602 L C 0.633 177.428 176.870 -0.124 0.000 1.241 602 L CA 1.043 55.689 54.840 -0.323 0.000 0.857 602 L CB 0.405 41.838 42.059 -1.042 0.000 1.113 602 L HN 0.473 nan 8.230 nan 0.000 0.504 603 G N 2.541 111.219 108.800 -0.203 0.000 2.547 603 G HA2 0.415 4.376 3.960 0.001 0.000 0.291 603 G HA3 0.415 4.376 3.960 0.001 0.000 0.291 603 G C -2.192 172.370 174.900 -0.564 0.000 1.471 603 G CA -0.618 44.306 45.100 -0.293 0.000 0.798 603 G HN 0.473 nan 8.290 nan 0.000 0.504 604 Y N -0.420 119.633 120.300 -0.413 0.000 2.446 604 Y HA 0.682 5.232 4.550 0.001 0.000 0.345 604 Y C 0.430 176.156 175.900 -0.291 0.000 0.984 604 Y CA -0.653 57.296 58.100 -0.252 0.000 1.058 604 Y CB 3.069 41.441 38.460 -0.147 0.000 1.220 604 Y HN 0.535 nan 8.280 nan 0.000 0.455 605 E N 4.809 124.992 120.200 -0.029 0.000 4.139 605 E HA 0.317 4.667 4.350 0.001 0.000 0.227 605 E C -1.776 174.799 176.600 -0.041 0.000 1.187 605 E CA -0.049 56.317 56.400 -0.056 0.000 1.324 605 E CB 0.475 30.204 29.700 0.049 0.000 1.207 605 E HN 0.644 nan 8.360 nan 0.000 0.422 606 L N -2.006 119.200 121.223 -0.029 0.000 2.600 606 L HA 0.682 5.022 4.340 0.001 0.000 0.257 606 L C -1.026 175.821 176.870 -0.038 0.000 1.048 606 L CA -1.171 53.642 54.840 -0.044 0.000 0.869 606 L CB 1.690 43.748 42.059 -0.001 0.000 1.482 606 L HN -0.134 nan 8.230 nan 0.000 0.408 607 D N 1.645 122.017 120.400 -0.046 0.000 2.344 607 D HA 0.256 4.897 4.640 0.001 0.000 0.253 607 D C 1.177 177.469 176.300 -0.013 0.000 1.255 607 D CA -0.146 53.836 54.000 -0.030 0.000 0.894 607 D CB 0.759 41.539 40.800 -0.033 0.000 1.067 607 D HN 0.614 nan 8.370 nan 0.000 0.492 608 I N 1.069 121.633 120.570 -0.010 0.000 3.251 608 I HA -0.034 4.136 4.170 0.001 0.000 0.277 608 I C 1.723 177.832 176.117 -0.014 0.000 1.268 608 I CA 0.491 61.781 61.300 -0.016 0.000 1.449 608 I CB -0.447 37.532 38.000 -0.035 0.000 1.083 608 I HN 0.268 nan 8.210 nan 0.000 0.464 609 T N -0.749 113.800 114.554 -0.008 0.000 2.915 609 T HA 0.006 4.357 4.350 0.001 0.000 0.269 609 T C 1.078 175.775 174.700 -0.006 0.000 1.071 609 T CA 0.580 62.676 62.100 -0.008 0.000 1.132 609 T CB -0.201 68.663 68.868 -0.006 0.000 0.878 609 T HN 0.397 nan 8.240 nan 0.000 0.479 613 P HA -0.117 nan 4.420 nan 0.000 0.219 613 P C 1.627 178.931 177.300 0.006 0.000 1.146 613 P CA 2.469 65.570 63.100 0.003 0.000 0.808 613 P CB -0.003 31.700 31.700 0.004 0.000 0.779 614 T N -2.931 111.629 114.554 0.009 0.000 2.857 614 T HA -0.081 4.270 4.350 0.001 0.000 0.266 614 T C 1.656 176.365 174.700 0.015 0.000 1.048 614 T CA 0.957 63.065 62.100 0.013 0.000 1.139 614 T CB -0.790 68.086 68.868 0.015 0.000 0.874 614 T HN 0.196 nan 8.240 nan 0.000 0.455 615 E N 1.076 121.284 120.200 0.014 0.000 2.047 615 E HA 0.013 4.364 4.350 0.001 0.000 0.191 615 E C 2.119 178.724 176.600 0.009 0.000 0.987 615 E CA 0.760 57.170 56.400 0.017 0.000 0.799 615 E CB -0.373 29.338 29.700 0.017 0.000 0.752 615 E HN 0.194 nan 8.360 nan 0.000 0.449 616 L N 1.582 122.804 121.223 -0.001 0.000 2.051 616 L HA -0.258 4.083 4.340 0.001 0.000 0.214 616 L C 1.880 178.742 176.870 -0.013 0.000 1.076 616 L CA 1.946 56.776 54.840 -0.016 0.000 0.758 616 L CB -0.360 41.689 42.059 -0.015 0.000 0.890 616 L HN 0.076 nan 8.230 nan 0.000 0.433 617 D N -2.137 118.264 120.400 0.001 0.000 2.224 617 D HA -0.179 4.462 4.640 0.001 0.000 0.205 617 D C 2.172 178.486 176.300 0.023 0.000 0.965 617 D CA 0.588 54.593 54.000 0.009 0.000 0.852 617 D CB 0.156 40.964 40.800 0.014 0.000 0.947 617 D HN 0.394 nan 8.370 nan 0.000 0.494 618 Q N -0.394 119.423 119.800 0.028 0.000 2.049 618 Q HA -0.104 4.237 4.340 0.001 0.000 0.198 618 Q C 2.091 178.133 176.000 0.070 0.000 0.971 618 Q CA 0.993 56.827 55.803 0.051 0.000 0.833 618 Q CB 0.147 28.915 28.738 0.051 0.000 0.896 618 Q HN 0.156 nan 8.270 nan 0.000 0.434 619 V N 1.669 121.605 119.914 0.037 0.000 2.250 619 V HA -0.343 3.778 4.120 0.001 0.000 0.250 619 V C 2.408 178.492 176.094 -0.016 0.000 1.060 619 V CA 2.297 64.589 62.300 -0.013 0.000 1.030 619 V CB -0.693 31.032 31.823 -0.163 0.000 0.643 619 V HN 0.398 nan 8.190 nan 0.000 0.445 620 K N -0.100 120.289 120.400 -0.018 0.000 2.063 620 K HA -0.230 4.091 4.320 0.001 0.000 0.208 620 K C 2.252 178.892 176.600 0.066 0.000 1.048 620 K CA 1.570 57.859 56.287 0.004 0.000 0.928 620 K CB -0.109 32.392 32.500 0.001 0.000 0.713 620 K HN 0.416 nan 8.250 nan 0.000 0.442 621 K N 0.363 120.815 120.400 0.087 0.000 2.097 621 K HA -0.145 4.176 4.320 0.001 0.000 0.205 621 K C 2.238 178.968 176.600 0.217 0.000 1.050 621 K CA 1.215 57.578 56.287 0.126 0.000 0.938 621 K CB -0.050 32.507 32.500 0.096 0.000 0.718 621 K HN 0.345 nan 8.250 nan 0.000 0.442 622 Q N 0.512 120.466 119.800 0.257 0.000 2.084 622 Q HA -0.107 4.233 4.340 0.001 0.000 0.202 622 Q C 2.195 178.472 176.000 0.461 0.000 0.978 622 Q CA 1.217 57.287 55.803 0.444 0.000 0.844 622 Q CB -0.049 28.980 28.738 0.484 0.000 0.898 622 Q HN 0.066 nan 8.270 nan 0.000 0.426 623 V N 0.752 120.853 119.914 0.312 0.000 2.427 623 V HA -0.242 3.879 4.120 0.001 0.000 0.248 623 V C 2.165 178.409 176.094 0.250 0.000 1.051 623 V CA 1.720 64.187 62.300 0.279 0.000 1.048 623 V CB -0.849 31.051 31.823 0.129 0.000 0.666 623 V HN 0.366 nan 8.190 nan 0.000 0.456 624 A N -0.297 122.645 122.820 0.204 0.000 1.897 624 A HA -0.167 4.153 4.320 0.001 0.000 0.215 624 A C 2.088 179.777 177.584 0.176 0.000 1.181 624 A CA 1.630 53.759 52.037 0.153 0.000 0.620 624 A CB -0.652 18.420 19.000 0.121 0.000 0.821 624 A HN 0.499 nan 8.150 nan 0.000 0.443 625 F N -0.571 119.442 119.950 0.103 0.000 2.095 625 F HA -0.224 4.304 4.527 0.001 0.000 0.298 625 F C 2.102 177.983 175.800 0.134 0.000 1.104 625 F CA 1.904 59.968 58.000 0.107 0.000 1.232 625 F CB -0.722 38.337 39.000 0.098 0.000 0.987 625 F HN 0.365 nan 8.300 nan 0.000 0.475 626 Y N 1.526 121.739 120.300 -0.146 0.000 2.128 626 Y HA -0.222 4.329 4.550 0.001 0.000 0.284 626 Y C 2.410 178.259 175.900 -0.086 0.000 1.154 626 Y CA 2.303 60.257 58.100 -0.244 0.000 1.149 626 Y CB -0.588 37.847 38.460 -0.041 0.000 0.976 626 Y HN 0.038 nan 8.280 nan 0.000 0.505 627 K N -0.975 119.438 120.400 0.023 0.000 2.103 627 K HA -0.246 4.075 4.320 0.001 0.000 0.207 627 K C 2.414 178.909 176.600 -0.176 0.000 1.048 627 K CA 1.338 57.587 56.287 -0.063 0.000 0.930 627 K CB -0.869 31.650 32.500 0.033 0.000 0.716 627 K HN 0.439 nan 8.250 nan 0.000 0.444 628 C N 0.340 119.503 119.300 -0.229 0.000 2.413 628 C HA -0.146 4.315 4.460 0.001 0.000 0.276 628 C C 1.557 176.202 174.990 -0.575 0.000 1.248 628 C CA 0.669 59.438 59.018 -0.415 0.000 1.742 628 C CB -0.635 26.794 27.740 -0.518 0.000 2.017 628 C HN 0.407 nan 8.230 nan 0.000 0.481 629 Y N 0.003 120.096 120.300 -0.346 0.000 2.720 629 Y HA 0.342 4.892 4.550 0.001 0.000 0.277 629 Y C 1.897 177.567 175.900 -0.384 0.000 1.144 629 Y CA -0.145 57.706 58.100 -0.415 0.000 1.221 629 Y CB -0.665 37.392 38.460 -0.673 0.000 1.163 629 Y HN 0.278 nan 8.280 nan 0.000 0.537 630 R N 0.221 120.570 120.500 -0.250 0.000 2.090 630 R HA -0.171 4.169 4.340 0.001 0.000 0.228 630 R C 1.932 178.117 176.300 -0.192 0.000 1.110 630 R CA 1.332 57.209 56.100 -0.370 0.000 0.973 630 R CB 0.214 30.285 30.300 -0.382 0.000 0.869 630 R HN 0.306 nan 8.270 nan 0.000 0.440 631 Q N 0.746 120.505 119.800 -0.068 0.000 2.135 631 Q HA -0.152 4.188 4.340 0.001 0.000 0.204 631 Q C 1.824 177.851 176.000 0.046 0.000 0.981 631 Q CA 1.412 57.263 55.803 0.081 0.000 0.856 631 Q CB -0.217 28.570 28.738 0.083 0.000 0.902 631 Q HN 0.352 nan 8.270 nan 0.000 0.425 632 L N -1.014 120.161 121.223 -0.080 0.000 2.095 632 L HA 0.058 4.399 4.340 0.001 0.000 0.204 632 L C 1.661 178.396 176.870 -0.225 0.000 1.080 632 L CA 1.379 56.129 54.840 -0.149 0.000 0.759 632 L CB -0.535 41.377 42.059 -0.246 0.000 0.914 632 L HN 0.198 nan 8.230 nan 0.000 0.439 633 F N 0.023 119.834 119.950 -0.233 0.000 2.075 633 F HA -0.234 4.294 4.527 0.001 0.000 0.297 633 F C 2.661 178.327 175.800 -0.223 0.000 1.113 633 F CA 1.868 59.702 58.000 -0.277 0.000 1.218 633 F CB -0.762 38.051 39.000 -0.312 0.000 0.984 633 F HN 0.157 nan 8.300 nan 0.000 0.472 634 Q N -1.614 118.084 119.800 -0.170 0.000 2.096 634 Q HA -0.071 4.270 4.340 0.001 0.000 0.197 634 Q C 1.402 177.017 176.000 -0.641 0.000 0.964 634 Q CA 1.313 56.814 55.803 -0.503 0.000 0.838 634 Q CB -0.087 28.126 28.738 -0.875 0.000 0.906 634 Q HN 0.386 nan 8.270 nan 0.000 0.444 635 F N -0.991 118.993 119.950 0.057 0.000 2.682 635 F HA 0.306 4.834 4.527 0.001 0.000 0.308 635 F C 1.141 176.977 175.800 0.060 0.000 1.093 635 F CA -0.449 57.584 58.000 0.054 0.000 1.244 635 F CB -0.043 38.991 39.000 0.057 0.000 1.052 635 F HN -0.128 nan 8.300 nan 0.000 0.573 636 G N 1.322 110.217 108.800 0.158 0.000 2.559 636 G HA2 -0.003 3.958 3.960 0.001 0.000 0.235 636 G HA3 -0.003 3.958 3.960 0.001 0.000 0.235 636 G C -0.069 174.936 174.900 0.175 0.000 1.266 636 G CA -0.494 44.689 45.100 0.138 0.000 0.847 636 G HN 0.203 nan 8.290 nan 0.000 0.583 637 K N 0.922 121.420 120.400 0.164 0.000 2.436 637 K HA 0.119 4.440 4.320 0.001 0.000 0.282 637 K C -0.701 176.014 176.600 0.192 0.000 1.044 637 K CA -0.258 56.114 56.287 0.142 0.000 1.028 637 K CB 0.111 32.688 32.500 0.129 0.000 0.919 637 K HN 0.277 nan 8.250 nan 0.000 0.474 638 F N 5.237 125.165 119.950 -0.036 0.000 2.408 638 F HA 0.308 4.836 4.527 0.001 0.000 0.344 638 F C -1.267 174.466 175.800 -0.111 0.000 1.112 638 F CA -0.362 57.637 58.000 -0.001 0.000 1.096 638 F CB 0.632 39.593 39.000 -0.066 0.000 1.129 638 F HN 0.466 nan 8.300 nan 0.000 0.486 639 Y N 5.144 125.079 120.300 -0.608 0.000 2.350 639 Y HA 0.479 5.029 4.550 0.001 0.000 0.338 639 Y C -0.021 175.595 175.900 -0.474 0.000 0.961 639 Y CA -0.901 56.983 58.100 -0.359 0.000 1.100 639 Y CB 1.425 39.792 38.460 -0.155 0.000 1.179 639 Y HN 0.433 nan 8.280 nan 0.000 0.454 640 R N 3.477 123.918 120.500 -0.098 0.000 2.441 640 R HA 0.477 4.817 4.340 0.001 0.000 0.284 640 R C -0.093 176.322 176.300 0.191 0.000 1.070 640 R CA 0.196 56.321 56.100 0.043 0.000 1.047 640 R CB 0.840 31.054 30.300 -0.143 0.000 1.016 640 R HN 0.771 nan 8.270 nan 0.000 0.477 641 I N -0.257 120.485 120.570 0.286 0.000 4.701 641 I HA 0.081 4.252 4.170 0.001 0.000 0.247 641 I C -0.134 176.095 176.117 0.187 0.000 0.922 641 I CA -0.458 60.943 61.300 0.169 0.000 2.200 641 I CB 0.126 38.154 38.000 0.048 0.000 1.517 641 I HN 0.420 nan 8.210 nan 0.000 0.478 642 D N 2.819 123.296 120.400 0.128 0.000 2.348 642 D HA 0.124 4.765 4.640 0.001 0.000 0.253 642 D C -0.366 175.910 176.300 -0.041 0.000 1.161 642 D CA 0.390 54.417 54.000 0.045 0.000 0.876 642 D CB 1.493 42.292 40.800 -0.000 0.000 1.160 642 D HN 0.029 nan 8.370 nan 0.000 0.459 643 S N 2.507 118.171 115.700 -0.060 0.000 2.508 643 S HA 0.347 4.818 4.470 0.001 0.000 0.284 643 S C -1.862 172.464 174.600 -0.455 0.000 1.192 643 S CA -1.618 56.392 58.200 -0.318 0.000 1.070 643 S CB 1.526 64.826 63.200 0.166 0.000 1.004 643 S HN 0.105 nan 8.310 nan 0.000 0.493 644 P HA 0.131 nan 4.420 nan 0.000 0.233 644 P C 0.174 177.099 177.300 -0.626 0.000 1.167 644 P CA 0.608 63.262 63.100 -0.743 0.000 0.770 644 P CB -0.012 31.054 31.700 -1.057 0.000 0.837 645 F N -1.487 118.370 119.950 -0.155 0.000 2.727 645 F HA 0.136 4.663 4.527 0.001 0.000 0.302 645 F C 0.774 176.538 175.800 -0.060 0.000 1.097 645 F CA -0.113 57.836 58.000 -0.086 0.000 1.330 645 F CB -0.139 38.843 39.000 -0.031 0.000 1.084 645 F HN -0.343 nan 8.300 nan 0.000 0.578 646 V N 0.129 120.076 119.914 0.054 0.000 2.487 646 V HA 0.663 4.784 4.120 0.001 0.000 0.298 646 V C 0.407 176.495 176.094 -0.009 0.000 1.028 646 V CA -0.346 61.977 62.300 0.038 0.000 0.860 646 V CB 0.516 32.375 31.823 0.060 0.000 0.991 646 V HN 0.342 nan 8.190 nan 0.000 0.427 647 E N 3.397 123.593 120.200 -0.006 0.000 3.365 647 E HA -0.371 3.979 4.350 0.001 0.000 0.286 647 E C 0.980 177.564 176.600 -0.028 0.000 1.466 647 E CA 1.884 58.274 56.400 -0.017 0.000 1.995 647 E CB -1.668 28.019 29.700 -0.020 0.000 1.981 647 E HN 1.293 nan 8.360 nan 0.000 0.495 648 D N -0.242 120.138 120.400 -0.033 0.000 2.221 648 D HA 0.267 4.907 4.640 0.001 0.000 0.204 648 D C 1.721 177.992 176.300 -0.048 0.000 0.982 648 D CA 2.332 56.313 54.000 -0.033 0.000 0.857 648 D CB -0.703 40.077 40.800 -0.033 0.000 0.934 648 D HN 2.206 nan 8.370 nan 0.000 0.475 649 G N 0.568 109.321 108.800 -0.078 0.000 2.249 649 G HA2 -0.426 3.535 3.960 0.001 0.000 0.273 649 G HA3 -0.426 3.535 3.960 0.001 0.000 0.273 649 G C 0.731 175.550 174.900 -0.134 0.000 1.036 649 G CA 0.553 45.565 45.100 -0.146 0.000 0.824 649 G HN 0.574 nan 8.290 nan 0.000 0.504 650 N N -1.211 117.443 118.700 -0.076 0.000 2.395 650 N HA 0.058 4.799 4.740 0.001 0.000 0.175 650 N C 0.584 176.060 175.510 -0.057 0.000 1.029 650 N CA 0.900 53.925 53.050 -0.041 0.000 0.897 650 N CB 0.205 38.707 38.487 0.025 0.000 0.991 650 N HN 0.275 nan 8.380 nan 0.000 0.441 651 V N 1.300 121.169 119.914 -0.074 0.000 2.435 651 V HA 0.335 4.456 4.120 0.001 0.000 0.290 651 V C -0.213 175.790 176.094 -0.152 0.000 1.030 651 V CA -0.397 61.859 62.300 -0.073 0.000 0.881 651 V CB 1.572 33.375 31.823 -0.033 0.000 0.983 651 V HN 0.012 nan 8.190 nan 0.000 0.445 652 T N 3.384 117.843 114.554 -0.159 0.000 2.863 652 T HA 0.699 5.049 4.350 0.001 0.000 0.285 652 T C -0.477 174.118 174.700 -0.175 0.000 1.009 652 T CA -0.583 61.346 62.100 -0.285 0.000 0.989 652 T CB 1.626 70.248 68.868 -0.410 0.000 1.004 652 T HN 0.896 nan 8.240 nan 0.000 0.455 653 S N 2.273 117.879 115.700 -0.156 0.000 2.543 653 S HA 0.786 5.257 4.470 0.001 0.000 0.271 653 S C -1.268 173.355 174.600 0.040 0.000 1.148 653 S CA -1.134 57.002 58.200 -0.107 0.000 0.914 653 S CB 1.368 64.687 63.200 0.197 0.000 1.096 653 S HN 0.904 nan 8.310 nan 0.000 0.471 654 W N 1.092 122.507 121.300 0.191 0.000 3.165 654 W HA 0.784 5.444 4.660 0.001 0.000 0.351 654 W C -1.022 175.493 176.519 -0.007 0.000 1.164 654 W CA -1.120 56.219 57.345 -0.011 0.000 1.074 654 W CB 1.301 30.610 29.460 -0.251 0.000 1.499 654 W HN 0.913 nan 8.180 nan 0.000 0.600 655 Q N 1.115 121.079 119.800 0.272 0.000 2.391 655 Q HA 0.500 4.840 4.340 0.001 0.000 0.279 655 Q C -1.888 174.255 176.000 0.239 0.000 1.028 655 Q CA -0.647 55.363 55.803 0.346 0.000 0.836 655 Q CB 3.025 31.912 28.738 0.247 0.000 1.414 655 Q HN 0.521 nan 8.270 nan 0.000 0.397 656 V N -0.074 120.029 119.914 0.315 0.000 2.680 656 V HA 0.932 5.053 4.120 0.001 0.000 0.309 656 V C -0.798 175.376 176.094 0.134 0.000 1.052 656 V CA -0.650 61.781 62.300 0.218 0.000 0.908 656 V CB 1.664 33.586 31.823 0.163 0.000 1.001 656 V HN 0.560 nan 8.190 nan 0.000 0.431 657 V N 2.695 122.704 119.914 0.158 0.000 2.709 657 V HA 0.647 4.768 4.120 0.001 0.000 0.308 657 V C 0.407 176.564 176.094 0.104 0.000 1.062 657 V CA -0.087 62.280 62.300 0.113 0.000 0.901 657 V CB 2.050 33.959 31.823 0.144 0.000 1.003 657 V HN 1.259 nan 8.190 nan 0.000 0.425 658 S N 1.555 117.296 115.700 0.069 0.000 2.624 658 S HA 0.209 4.680 4.470 0.001 0.000 0.263 658 S C 0.720 175.365 174.600 0.076 0.000 1.287 658 S CA -0.383 57.857 58.200 0.066 0.000 0.990 658 S CB 0.871 64.099 63.200 0.046 0.000 0.950 658 S HN 0.692 nan 8.310 nan 0.000 0.561 659 D N 1.576 122.015 120.400 0.065 0.000 2.133 659 D HA -0.155 4.486 4.640 0.001 0.000 0.192 659 D C 1.385 177.717 176.300 0.053 0.000 1.001 659 D CA 2.060 56.095 54.000 0.057 0.000 0.844 659 D CB -0.536 40.286 40.800 0.037 0.000 0.944 659 D HN 0.892 nan 8.370 nan 0.000 0.447 660 D N -0.693 119.734 120.400 0.045 0.000 2.355 660 D HA -0.060 4.581 4.640 0.001 0.000 0.218 660 D C 0.509 176.845 176.300 0.059 0.000 1.004 660 D CA 0.203 54.227 54.000 0.040 0.000 0.880 660 D CB -0.257 40.556 40.800 0.022 0.000 0.911 660 D HN 0.190 nan 8.370 nan 0.000 0.528 661 Q N -1.301 118.546 119.800 0.078 0.000 2.424 661 Q HA -0.218 4.122 4.340 0.001 0.000 0.234 661 Q C 0.651 176.752 176.000 0.168 0.000 0.748 661 Q CA 1.121 56.990 55.803 0.110 0.000 1.286 661 Q CB -1.394 27.412 28.738 0.114 0.000 1.494 661 Q HN 0.366 nan 8.270 nan 0.000 0.683 662 K N 0.282 120.754 120.400 0.119 0.000 2.400 662 K HA 0.065 4.385 4.320 0.001 0.000 0.194 662 K C 0.589 177.287 176.600 0.164 0.000 1.033 662 K CA 0.484 56.842 56.287 0.117 0.000 1.021 662 K CB 0.372 32.887 32.500 0.024 0.000 0.808 662 K HN 0.209 nan 8.250 nan 0.000 0.505 663 Q N -0.300 119.575 119.800 0.124 0.000 2.359 663 Q HA 0.590 4.931 4.340 0.001 0.000 0.274 663 Q C -2.039 173.972 176.000 0.018 0.000 1.074 663 Q CA -0.653 55.197 55.803 0.077 0.000 0.810 663 Q CB 2.372 31.146 28.738 0.060 0.000 1.342 663 Q HN 0.111 nan 8.270 nan 0.000 0.427 664 A N 3.147 125.943 122.820 -0.040 0.000 2.612 664 A HA 0.731 5.052 4.320 0.001 0.000 0.293 664 A C -1.736 175.796 177.584 -0.087 0.000 1.075 664 A CA -0.606 51.395 52.037 -0.061 0.000 0.680 664 A CB 1.319 20.299 19.000 -0.034 0.000 1.279 664 A HN 0.657 nan 8.150 nan 0.000 0.411 665 I N 1.214 121.749 120.570 -0.058 0.000 2.439 665 I HA 0.586 4.756 4.170 0.001 0.000 0.285 665 I C 0.333 176.672 176.117 0.370 0.000 1.021 665 I CA -0.506 60.822 61.300 0.047 0.000 1.091 665 I CB 1.829 39.692 38.000 -0.228 0.000 1.242 665 I HN 0.814 nan 8.210 nan 0.000 0.439 666 A N 4.977 128.071 122.820 0.456 0.000 2.320 666 A HA 0.958 5.279 4.320 0.001 0.000 0.334 666 A C -0.523 177.314 177.584 0.421 0.000 1.147 666 A CA -0.509 51.824 52.037 0.494 0.000 0.820 666 A CB 1.491 20.738 19.000 0.413 0.000 1.218 666 A HN 0.809 nan 8.150 nan 0.000 0.482 667 A N 1.442 124.422 122.820 0.268 0.000 2.374 667 A HA 0.732 5.052 4.320 0.001 0.000 0.305 667 A C -0.323 176.920 177.584 -0.567 0.000 1.053 667 A CA -0.613 51.317 52.037 -0.179 0.000 0.726 667 A CB 1.039 19.970 19.000 -0.115 0.000 1.229 667 A HN 0.902 nan 8.150 nan 0.000 0.431 668 R N 2.048 122.154 120.500 -0.655 0.000 2.387 668 R HA 0.624 4.964 4.340 0.001 0.000 0.314 668 R C -1.853 174.075 176.300 -0.620 0.000 0.958 668 R CA -0.301 55.497 56.100 -0.504 0.000 0.846 668 R CB 0.825 30.950 30.300 -0.291 0.000 1.147 668 R HN 0.718 nan 8.270 nan 0.000 0.447 669 Y N 1.869 122.038 120.300 -0.218 0.000 2.409 669 Y HA 0.299 4.849 4.550 0.001 0.000 0.343 669 Y C -0.171 175.668 175.900 -0.101 0.000 0.973 669 Y CA -0.753 57.251 58.100 -0.160 0.000 1.064 669 Y CB 2.218 40.546 38.460 -0.220 0.000 1.207 669 Y HN 0.450 nan 8.280 nan 0.000 0.452 670 Q N 3.312 123.179 119.800 0.111 0.000 2.310 670 Q HA 0.426 4.766 4.340 0.001 0.000 0.270 670 Q C -0.505 175.506 176.000 0.018 0.000 1.025 670 Q CA -0.379 55.449 55.803 0.043 0.000 0.772 670 Q CB 1.511 30.259 28.738 0.016 0.000 1.253 670 Q HN 0.956 nan 8.270 nan 0.000 0.450 671 L N 2.619 123.834 121.223 -0.013 0.000 2.023 671 L HA 0.038 4.378 4.340 0.001 0.000 0.205 671 L C 0.223 176.864 176.870 -0.381 0.000 1.073 671 L CA 0.761 55.577 54.840 -0.041 0.000 0.745 671 L CB -0.003 42.095 42.059 0.064 0.000 0.900 671 L HN 0.471 nan 8.230 nan 0.000 0.435 672 L N 0.336 121.386 121.223 -0.288 0.000 2.333 672 L HA 0.330 4.671 4.340 0.001 0.000 0.280 672 L C -0.290 176.241 176.870 -0.565 0.000 1.004 672 L CA -0.229 54.344 54.840 -0.445 0.000 0.820 672 L CB 1.033 42.883 42.059 -0.347 0.000 1.247 672 L HN -0.027 nan 8.230 nan 0.000 0.416 673 N N 2.234 120.605 118.700 -0.548 0.000 2.499 673 N HA 0.311 5.052 4.740 0.001 0.000 0.281 673 N C -0.946 174.208 175.510 -0.593 0.000 1.098 673 N CA -0.098 52.673 53.050 -0.465 0.000 0.979 673 N CB 0.623 38.917 38.487 -0.322 0.000 1.121 673 N HN 0.402 nan 8.380 nan 0.000 0.466 674 H N 1.272 120.281 119.070 -0.102 0.000 2.731 674 H HA 0.472 5.028 4.556 0.001 0.000 0.368 674 H C -2.014 173.271 175.328 -0.072 0.000 1.168 674 H CA -1.386 54.614 56.048 -0.080 0.000 1.181 674 H CB 1.367 31.089 29.762 -0.067 0.000 1.743 674 H HN 0.568 nan 8.280 nan 0.000 0.547 675 P HA 0.028 nan 4.420 nan 0.000 0.278 675 P C -0.024 177.283 177.300 0.013 0.000 1.258 675 P CA -0.518 62.592 63.100 0.017 0.000 0.811 675 P CB 0.727 32.433 31.700 0.010 0.000 1.063 676 N N -0.919 117.780 118.700 -0.002 0.000 2.669 676 N HA -0.185 4.555 4.740 0.001 0.000 0.266 676 N C -0.729 174.770 175.510 -0.018 0.000 1.024 676 N CA 0.819 53.862 53.050 -0.011 0.000 0.766 676 N CB -1.246 37.230 38.487 -0.018 0.000 0.898 676 N HN 0.637 nan 8.380 nan 0.000 0.548 677 A N 1.794 124.610 122.820 -0.007 0.000 2.316 677 A HA 0.673 4.993 4.320 0.001 0.000 0.284 677 A C -1.647 175.917 177.584 -0.033 0.000 1.115 677 A CA -1.024 51.008 52.037 -0.008 0.000 0.812 677 A CB 0.323 19.328 19.000 0.009 0.000 1.064 677 A HN 0.392 nan 8.150 nan 0.000 0.489 678 P HA 0.140 nan 4.420 nan 0.000 0.268 678 P C -0.677 176.636 177.300 0.020 0.000 1.208 678 P CA 0.094 63.152 63.100 -0.070 0.000 0.777 678 P CB 0.055 31.730 31.700 -0.041 0.000 0.875 679 Y N 0.075 120.367 120.300 -0.013 0.000 2.683 679 Y HA 0.035 4.586 4.550 0.001 0.000 0.340 679 Y C 1.388 177.179 175.900 -0.182 0.000 1.245 679 Y CA 0.186 58.245 58.100 -0.068 0.000 1.485 679 Y CB -0.582 37.940 38.460 0.103 0.000 1.328 679 Y HN 0.203 nan 8.280 nan 0.000 0.603 680 T N 5.069 119.488 114.554 -0.224 0.000 2.806 680 T HA 0.447 4.798 4.350 0.001 0.000 0.290 680 T C -0.008 174.502 174.700 -0.317 0.000 0.966 680 T CA -0.685 61.269 62.100 -0.243 0.000 1.060 680 T CB 0.409 69.125 68.868 -0.252 0.000 0.927 680 T HN 0.414 nan 8.240 nan 0.000 0.485 681 R N 2.620 123.016 120.500 -0.174 0.000 2.451 681 R HA 0.457 4.797 4.340 0.001 0.000 0.307 681 R C -1.601 174.519 176.300 -0.300 0.000 0.965 681 R CA -0.716 55.229 56.100 -0.258 0.000 0.865 681 R CB 0.697 30.840 30.300 -0.262 0.000 1.174 681 R HN 0.538 nan 8.270 nan 0.000 0.455 682 F N 4.813 124.474 119.950 -0.482 0.000 2.405 682 F HA 0.371 4.899 4.527 0.001 0.000 0.355 682 F C -1.302 174.125 175.800 -0.621 0.000 1.121 682 F CA -0.551 57.139 58.000 -0.518 0.000 1.112 682 F CB 0.629 39.224 39.000 -0.674 0.000 1.126 682 F HN 0.463 nan 8.300 nan 0.000 0.481 683 Y N 6.627 126.353 120.300 -0.958 0.000 2.404 683 Y HA 0.332 4.883 4.550 0.001 0.000 0.344 683 Y C -0.396 174.927 175.900 -0.961 0.000 0.970 683 Y CA -0.572 57.118 58.100 -0.684 0.000 1.180 683 Y CB 0.257 38.482 38.460 -0.392 0.000 1.138 683 Y HN 0.398 nan 8.280 nan 0.000 0.510 684 F N 3.617 123.290 119.950 -0.462 0.000 2.459 684 F HA 0.272 4.800 4.527 0.001 0.000 0.346 684 F C 0.544 176.157 175.800 -0.312 0.000 1.128 684 F CA -0.071 57.709 58.000 -0.368 0.000 1.268 684 F CB 0.551 39.401 39.000 -0.251 0.000 1.161 684 F HN 0.261 nan 8.300 nan 0.000 0.583 685 K N 0.455 120.742 120.400 -0.190 0.000 2.295 685 K HA 0.551 4.871 4.320 0.001 0.000 0.239 685 K C 0.710 176.969 176.600 -0.568 0.000 0.991 685 K CA -0.181 55.877 56.287 -0.382 0.000 0.845 685 K CB 1.462 33.661 32.500 -0.502 0.000 1.197 685 K HN 0.713 nan 8.250 nan 0.000 0.441 686 G N 0.290 108.732 108.800 -0.596 0.000 2.184 686 G HA2 -0.253 3.708 3.960 0.001 0.000 0.264 686 G HA3 -0.253 3.708 3.960 0.001 0.000 0.264 686 G C 0.193 174.994 174.900 -0.165 0.000 0.975 686 G CA 0.462 45.270 45.100 -0.487 0.000 0.642 686 G HN 0.346 nan 8.290 nan 0.000 0.536 687 L N -0.332 120.793 121.223 -0.164 0.000 2.490 687 L HA 0.551 4.892 4.340 0.001 0.000 0.245 687 L C 1.256 178.153 176.870 0.044 0.000 1.185 687 L CA -0.996 53.788 54.840 -0.093 0.000 0.813 687 L CB 0.305 42.173 42.059 -0.318 0.000 1.233 687 L HN -0.000 nan 8.230 nan 0.000 0.489 688 R N 0.776 121.379 120.500 0.173 0.000 2.221 688 R HA 0.194 4.535 4.340 0.001 0.000 0.327 688 R C -1.752 174.651 176.300 0.171 0.000 1.033 688 R CA -1.648 54.541 56.100 0.147 0.000 0.887 688 R CB 1.188 31.564 30.300 0.127 0.000 1.057 688 R HN 0.313 nan 8.270 nan 0.000 0.455 689 P HA -0.136 nan 4.420 nan 0.000 0.216 689 P C 0.281 177.683 177.300 0.171 0.000 1.150 689 P CA 1.300 64.473 63.100 0.120 0.000 0.843 689 P CB 0.318 32.058 31.700 0.066 0.000 0.787 690 N N -1.581 117.186 118.700 0.112 0.000 2.270 690 N HA 0.033 4.774 4.740 0.001 0.000 0.198 690 N C 0.373 175.906 175.510 0.039 0.000 1.117 690 N CA 0.223 53.330 53.050 0.096 0.000 0.845 690 N CB -0.158 38.291 38.487 -0.063 0.000 0.980 690 N HN 0.189 nan 8.380 nan 0.000 0.486 691 Q N 1.093 120.907 119.800 0.022 0.000 2.278 691 Q HA 0.296 4.636 4.340 0.001 0.000 0.257 691 Q C -0.491 175.287 176.000 -0.370 0.000 0.928 691 Q CA -0.381 55.290 55.803 -0.219 0.000 0.932 691 Q CB 0.766 29.331 28.738 -0.288 0.000 1.221 691 Q HN 0.024 nan 8.270 nan 0.000 0.434 692 R N 2.983 123.158 120.500 -0.543 0.000 2.441 692 R HA 0.357 4.698 4.340 0.001 0.000 0.284 692 R C -0.750 175.219 176.300 -0.552 0.000 1.070 692 R CA -0.065 55.700 56.100 -0.558 0.000 1.047 692 R CB 0.691 30.613 30.300 -0.630 0.000 1.016 692 R HN 0.612 nan 8.270 nan 0.000 0.477 693 Y N -0.042 120.164 120.300 -0.157 0.000 2.576 693 Y HA 0.280 4.830 4.550 0.001 0.000 0.346 693 Y C 0.135 175.994 175.900 -0.067 0.000 1.018 693 Y CA -0.967 57.066 58.100 -0.111 0.000 1.050 693 Y CB 2.096 40.474 38.460 -0.138 0.000 1.280 693 Y HN 0.323 nan 8.280 nan 0.000 0.474 694 Q N 1.795 121.664 119.800 0.116 0.000 2.348 694 Q HA 0.662 5.002 4.340 0.001 0.000 0.271 694 Q C -1.407 174.637 176.000 0.074 0.000 1.067 694 Q CA -0.892 54.966 55.803 0.091 0.000 0.839 694 Q CB 2.996 31.759 28.738 0.043 0.000 1.354 694 Q HN 0.568 nan 8.270 nan 0.000 0.447 695 I N 3.092 123.713 120.570 0.085 0.000 2.448 695 I HA 0.223 4.394 4.170 0.001 0.000 0.281 695 I C -0.348 175.839 176.117 0.118 0.000 1.027 695 I CA -0.478 60.835 61.300 0.021 0.000 1.111 695 I CB 0.925 38.810 38.000 -0.190 0.000 1.236 695 I HN 0.669 nan 8.210 nan 0.000 0.452 696 N N 4.069 122.834 118.700 0.108 0.000 1.220 696 N HA -0.261 4.480 4.740 0.001 0.000 0.114 696 N C 0.277 175.852 175.510 0.109 0.000 0.835 696 N CA 1.761 54.876 53.050 0.108 0.000 0.863 696 N CB -0.524 38.035 38.487 0.119 0.000 0.992 696 N HN 0.871 nan 8.380 nan 0.000 0.632 697 D N 0.429 120.893 120.400 0.107 0.000 2.561 697 D HA 0.143 4.784 4.640 0.001 0.000 0.232 697 D C -0.413 175.955 176.300 0.113 0.000 1.198 697 D CA -0.133 53.923 54.000 0.094 0.000 0.826 697 D CB -0.663 40.180 40.800 0.071 0.000 0.992 697 D HN 0.403 nan 8.370 nan 0.000 0.490 698 D N 1.663 122.158 120.400 0.159 0.000 2.295 698 D HA 0.083 4.724 4.640 0.001 0.000 0.248 698 D C -1.088 175.289 176.300 0.128 0.000 1.154 698 D CA -2.041 52.075 54.000 0.193 0.000 0.857 698 D CB 1.869 42.880 40.800 0.352 0.000 1.117 698 D HN -0.056 nan 8.370 nan 0.000 0.468 699 P HA -0.096 nan 4.420 nan 0.000 0.217 699 P C 0.118 177.401 177.300 -0.029 0.000 1.150 699 P CA 0.343 63.458 63.100 0.026 0.000 0.832 699 P CB 0.098 31.810 31.700 0.021 0.000 0.787 700 S N 0.474 116.136 115.700 -0.062 0.000 2.573 700 S HA 0.232 4.703 4.470 0.001 0.000 0.277 700 S C 0.758 175.121 174.600 -0.396 0.000 1.346 700 S CA -0.043 58.005 58.200 -0.254 0.000 1.034 700 S CB -0.071 62.902 63.200 -0.377 0.000 0.879 700 S HN 0.342 nan 8.310 nan 0.000 0.528 701 T N -0.055 114.235 114.554 -0.440 0.000 2.867 701 T HA 0.632 4.982 4.350 0.001 0.000 0.282 701 T C -1.127 173.255 174.700 -0.530 0.000 1.000 701 T CA -0.631 61.234 62.100 -0.391 0.000 1.042 701 T CB 0.286 68.997 68.868 -0.261 0.000 0.973 701 T HN 0.487 nan 8.240 nan 0.000 0.465 702 Y N 0.309 120.598 120.300 -0.019 0.000 2.391 702 Y HA 0.467 5.018 4.550 0.001 0.000 0.341 702 Y C -0.173 175.745 175.900 0.030 0.000 0.965 702 Y CA -1.505 56.622 58.100 0.045 0.000 1.067 702 Y CB 1.248 39.743 38.460 0.058 0.000 1.199 702 Y HN 0.632 nan 8.280 nan 0.000 0.450 703 Y N 0.858 121.280 120.300 0.203 0.000 2.457 703 Y HA 0.120 4.671 4.550 0.001 0.000 0.341 703 Y C 1.626 177.650 175.900 0.207 0.000 1.240 703 Y CA 1.028 59.230 58.100 0.169 0.000 1.437 703 Y CB 0.822 39.352 38.460 0.117 0.000 1.328 703 Y HN 0.919 nan 8.280 nan 0.000 0.588 704 G N 1.036 110.073 108.800 0.394 0.000 2.422 704 G HA2 -0.298 3.662 3.960 0.001 0.000 0.218 704 G HA3 -0.298 3.662 3.960 0.001 0.000 0.218 704 G C 1.160 176.143 174.900 0.139 0.000 1.146 704 G CA 1.071 46.310 45.100 0.230 0.000 0.769 704 G HN 0.812 nan 8.290 nan 0.000 0.547 705 D N 0.727 121.230 120.400 0.172 0.000 2.219 705 D HA -0.075 4.566 4.640 0.001 0.000 0.205 705 D C 1.917 178.290 176.300 0.123 0.000 0.970 705 D CA 1.038 55.106 54.000 0.113 0.000 0.851 705 D CB -0.539 40.309 40.800 0.079 0.000 0.943 705 D HN 0.453 nan 8.370 nan 0.000 0.488 706 E N 0.063 120.366 120.200 0.172 0.000 2.051 706 E HA -0.039 4.312 4.350 0.001 0.000 0.192 706 E C 0.979 177.649 176.600 0.117 0.000 0.991 706 E CA 0.458 56.959 56.400 0.169 0.000 0.799 706 E CB 0.015 29.874 29.700 0.264 0.000 0.748 706 E HN 0.346 nan 8.360 nan 0.000 0.449 710 A N 0.828 123.776 122.820 0.213 0.000 2.095 710 A HA 0.622 4.943 4.320 0.001 0.000 0.212 710 A C 1.113 178.737 177.584 0.067 0.000 1.162 710 A CA 1.437 53.587 52.037 0.189 0.000 0.753 710 A CB -0.398 18.672 19.000 0.117 0.000 0.840 710 A HN 0.747 nan 8.150 nan 0.000 0.468 711 G N -1.913 106.864 108.800 -0.039 0.000 2.796 711 G HA2 -0.126 3.835 3.960 0.001 0.000 0.571 711 G HA3 -0.126 3.835 3.960 0.001 0.000 0.571 711 G C -0.509 174.308 174.900 -0.139 0.000 1.370 711 G CA -0.074 44.774 45.100 -0.421 0.000 0.856 711 G HN 1.170 nan 8.290 nan 0.000 0.538 712 Y N -0.494 119.642 120.300 -0.274 0.000 2.376 712 Y HA 0.629 5.180 4.550 0.001 0.000 0.340 712 Y C 0.049 175.885 175.900 -0.105 0.000 0.965 712 Y CA -1.302 56.709 58.100 -0.150 0.000 1.078 712 Y CB 1.381 39.831 38.460 -0.016 0.000 1.193 712 Y HN 0.816 nan 8.280 nan 0.000 0.452 713 F N 6.782 126.376 119.950 -0.593 0.000 2.467 713 F HA 0.526 5.053 4.527 0.001 0.000 0.362 713 F C -1.197 174.330 175.800 -0.456 0.000 1.090 713 F CA -0.359 57.377 58.000 -0.440 0.000 1.202 713 F CB 0.485 39.256 39.000 -0.382 0.000 1.113 713 F HN 0.210 nan 8.300 nan 0.000 0.541 714 V N 8.071 127.572 119.914 -0.689 0.000 2.459 714 V HA 0.378 4.499 4.120 0.001 0.000 0.295 714 V C -2.111 173.689 176.094 -0.490 0.000 1.029 714 V CA -2.041 60.077 62.300 -0.303 0.000 0.874 714 V CB 1.544 33.343 31.823 -0.041 0.000 0.985 714 V HN 0.668 nan 8.190 nan 0.000 0.438 715 P HA 0.167 nan 4.420 nan 0.000 0.269 715 P C 0.005 177.263 177.300 -0.070 0.000 1.209 715 P CA -0.036 63.062 63.100 -0.003 0.000 0.776 715 P CB 0.178 31.933 31.700 0.092 0.000 0.876 716 T N 2.284 116.819 114.554 -0.032 0.000 2.932 716 T HA 0.147 4.498 4.350 0.001 0.000 0.312 716 T C 0.745 175.394 174.700 -0.084 0.000 1.071 716 T CA -0.129 61.945 62.100 -0.043 0.000 1.128 716 T CB -0.117 68.761 68.868 0.016 0.000 0.984 716 T HN 0.194 nan 8.240 nan 0.000 0.549 717 I N 2.637 123.108 120.570 -0.164 0.000 2.363 717 I HA 0.192 4.362 4.170 0.001 0.000 0.292 717 I C 0.080 176.051 176.117 -0.244 0.000 1.075 717 I CA -0.056 61.045 61.300 -0.331 0.000 1.333 717 I CB 0.006 37.665 38.000 -0.569 0.000 1.415 717 I HN 0.320 nan 8.210 nan 0.000 0.502 718 L N 6.125 127.232 121.223 -0.193 0.000 2.325 718 L HA 0.624 4.964 4.340 0.001 0.000 0.278 718 L C 0.530 177.328 176.870 -0.119 0.000 1.023 718 L CA -0.849 53.920 54.840 -0.118 0.000 0.811 718 L CB 1.656 43.680 42.059 -0.059 0.000 1.249 718 L HN 0.601 nan 8.230 nan 0.000 0.431 719 A N 1.268 124.034 122.820 -0.090 0.000 2.477 719 A HA 0.215 4.535 4.320 0.001 0.000 0.246 719 A C 0.203 177.763 177.584 -0.041 0.000 1.078 719 A CA -0.112 51.883 52.037 -0.069 0.000 0.770 719 A CB -0.017 18.950 19.000 -0.056 0.000 1.011 719 A HN 0.836 nan 8.150 nan 0.000 0.494 720 D N 0.789 121.172 120.400 -0.028 0.000 2.513 720 D HA 0.283 4.923 4.640 0.001 0.000 0.222 720 D C 1.015 177.313 176.300 -0.004 0.000 1.210 720 D CA 0.680 54.673 54.000 -0.010 0.000 0.825 720 D CB -0.348 40.452 40.800 0.001 0.000 1.037 720 D HN 1.270 nan 8.370 nan 0.000 0.506 721 G N 0.797 109.592 108.800 -0.008 0.000 2.353 721 G HA2 -0.433 3.528 3.960 0.001 0.000 0.258 721 G HA3 -0.433 3.528 3.960 0.001 0.000 0.258 721 G C 1.206 176.107 174.900 0.003 0.000 1.013 721 G CA 0.843 45.941 45.100 -0.003 0.000 0.622 721 G HN 0.368 nan 8.290 nan 0.000 0.535 722 Q N 0.794 120.598 119.800 0.008 0.000 1.961 722 Q HA 0.150 4.491 4.340 0.001 0.000 0.197 722 Q C 1.512 177.524 176.000 0.019 0.000 0.977 722 Q CA 1.876 57.688 55.803 0.015 0.000 0.830 722 Q CB -0.155 28.596 28.738 0.020 0.000 0.896 722 Q HN 0.923 nan 8.270 nan 0.000 0.437 723 E N -0.178 120.036 120.200 0.024 0.000 2.339 723 E HA 0.488 4.838 4.350 0.001 0.000 0.262 723 E C -0.930 175.685 176.600 0.025 0.000 0.934 723 E CA -0.729 55.692 56.400 0.034 0.000 0.802 723 E CB 1.521 31.254 29.700 0.056 0.000 1.275 723 E HN -0.117 nan 8.360 nan 0.000 0.427 724 S N 0.234 115.954 115.700 0.035 0.000 2.533 724 S HA 0.069 4.540 4.470 0.001 0.000 0.282 724 S C 0.318 174.926 174.600 0.012 0.000 1.304 724 S CA -0.500 57.708 58.200 0.012 0.000 1.063 724 S CB 0.348 63.569 63.200 0.034 0.000 0.881 724 S HN 0.444 nan 8.310 nan 0.000 0.493 725 K N 2.798 123.158 120.400 -0.067 0.000 2.444 725 K HA 0.245 4.566 4.320 0.001 0.000 0.193 725 K C -0.198 176.321 176.600 -0.134 0.000 1.024 725 K CA 0.077 56.293 56.287 -0.120 0.000 1.077 725 K CB -0.356 31.995 32.500 -0.249 0.000 0.833 725 K HN 0.580 nan 8.250 nan 0.000 0.517 726 D N 0.502 120.786 120.400 -0.193 0.000 2.360 726 D HA 0.076 4.716 4.640 0.001 0.000 0.242 726 D C 0.229 176.362 176.300 -0.277 0.000 1.184 726 D CA -0.258 53.462 54.000 -0.466 0.000 0.930 726 D CB 0.239 40.536 40.800 -0.838 0.000 1.161 726 D HN -0.020 nan 8.370 nan 0.000 0.447 727 F N -0.769 119.209 119.950 0.047 0.000 2.773 727 F HA -0.259 4.269 4.527 0.001 0.000 0.251 727 F C -0.307 175.559 175.800 0.110 0.000 1.020 727 F CA 0.210 58.244 58.000 0.056 0.000 0.924 727 F CB -2.431 36.581 39.000 0.021 0.000 0.919 727 F HN 0.265 nan 8.300 nan 0.000 0.846 728 Y N 0.287 120.623 120.300 0.060 0.000 2.420 728 Y HA 0.694 5.244 4.550 0.001 0.000 0.334 728 Y C 0.484 176.385 175.900 0.003 0.000 1.094 728 Y CA -0.800 57.309 58.100 0.015 0.000 1.126 728 Y CB 1.615 40.042 38.460 -0.056 0.000 1.217 728 Y HN 0.162 nan 8.280 nan 0.000 0.462 729 T N 5.240 119.456 114.554 -0.563 0.000 2.861 729 T HA 0.421 4.771 4.350 0.001 0.000 0.287 729 T C -1.314 173.049 174.700 -0.562 0.000 1.003 729 T CA -0.841 60.989 62.100 -0.451 0.000 0.977 729 T CB 1.375 70.081 68.868 -0.271 0.000 0.996 729 T HN 0.519 nan 8.240 nan 0.000 0.448 730 Q N 2.064 121.572 119.800 -0.486 0.000 2.320 730 Q HA 0.544 4.885 4.340 0.001 0.000 0.268 730 Q C -1.327 174.248 176.000 -0.709 0.000 1.023 730 Q CA -0.720 54.764 55.803 -0.532 0.000 0.744 730 Q CB 1.860 30.367 28.738 -0.385 0.000 1.246 730 Q HN 0.359 nan 8.270 nan 0.000 0.462 731 L N 2.326 123.166 121.223 -0.639 0.000 2.360 731 L HA 0.557 4.898 4.340 0.001 0.000 0.271 731 L C -1.165 175.240 176.870 -0.776 0.000 1.057 731 L CA 0.041 54.617 54.840 -0.440 0.000 0.803 731 L CB 0.684 42.676 42.059 -0.111 0.000 1.207 731 L HN 0.510 nan 8.230 nan 0.000 0.445 732 F N 2.250 122.214 119.950 0.022 0.000 2.716 732 F HA 0.364 4.892 4.527 0.001 0.000 0.354 732 F C -0.374 175.465 175.800 0.066 0.000 1.168 732 F CA -0.831 57.202 58.000 0.054 0.000 1.045 732 F CB 1.290 40.361 39.000 0.119 0.000 1.311 732 F HN -0.069 nan 8.300 nan 0.000 0.477 733 V N 4.671 124.668 119.914 0.138 0.000 2.389 733 V HA 0.329 4.450 4.120 0.001 0.000 0.264 733 V C -0.000 176.102 176.094 0.013 0.000 1.049 733 V CA -0.580 61.731 62.300 0.018 0.000 0.932 733 V CB 0.924 32.734 31.823 -0.022 0.000 1.011 733 V HN 0.436 nan 8.190 nan 0.000 0.475 734 V N 4.715 124.608 119.914 -0.036 0.000 2.427 734 V HA 0.638 4.759 4.120 0.001 0.000 0.286 734 V C 0.210 176.318 176.094 0.023 0.000 1.034 734 V CA -0.275 61.974 62.300 -0.085 0.000 0.893 734 V CB 1.816 33.464 31.823 -0.293 0.000 0.982 734 V HN 0.940 nan 8.190 nan 0.000 0.452 735 T N 2.723 117.350 114.554 0.122 0.000 2.971 735 T HA 0.677 5.027 4.350 0.001 0.000 0.304 735 T C -0.000 174.790 174.700 0.151 0.000 1.038 735 T CA -0.357 61.833 62.100 0.151 0.000 1.007 735 T CB 1.692 70.614 68.868 0.091 0.000 1.055 735 T HN 0.984 nan 8.240 nan 0.000 0.451 736 A N 3.093 125.934 122.820 0.034 0.000 2.466 736 A HA 0.534 4.855 4.320 0.001 0.000 0.238 736 A C 0.140 177.604 177.584 -0.201 0.000 1.074 736 A CA -0.306 51.544 52.037 -0.313 0.000 0.774 736 A CB -0.114 18.682 19.000 -0.340 0.000 1.015 736 A HN 0.732 nan 8.150 nan 0.000 0.498 737 I N 2.889 123.297 120.570 -0.270 0.000 2.337 737 I HA 0.211 4.382 4.170 0.001 0.000 0.285 737 I C -0.265 175.740 176.117 -0.187 0.000 1.041 737 I CA -0.081 61.110 61.300 -0.183 0.000 1.199 737 I CB 0.185 38.073 38.000 -0.186 0.000 1.370 737 I HN 0.448 nan 8.210 nan 0.000 0.470 738 L N 6.633 127.774 121.223 -0.137 0.000 2.290 738 L HA 0.495 4.836 4.340 0.001 0.000 0.284 738 L C 0.257 177.067 176.870 -0.100 0.000 1.078 738 L CA 0.033 54.798 54.840 -0.125 0.000 0.815 738 L CB 0.746 42.740 42.059 -0.108 0.000 1.162 738 L HN 0.565 nan 8.230 nan 0.000 0.435 739 E N 0.600 120.743 120.200 -0.095 0.000 2.419 739 E HA 0.163 4.513 4.350 0.001 0.000 0.285 739 E C -1.443 175.146 176.600 -0.017 0.000 1.079 739 E CA -0.860 55.507 56.400 -0.055 0.000 0.864 739 E CB 1.278 30.968 29.700 -0.017 0.000 1.216 739 E HN 0.565 nan 8.360 nan 0.000 0.428 740 H N 1.130 120.207 119.070 0.012 0.000 2.848 740 H HA 0.206 4.762 4.556 0.001 0.000 0.341 740 H C -0.511 174.819 175.328 0.004 0.000 1.060 740 H CA 0.724 56.768 56.048 -0.007 0.000 1.444 740 H CB 0.537 30.276 29.762 -0.038 0.000 1.446 740 H HN 0.269 nan 8.280 nan 0.000 0.583 741 H N 0.494 119.521 119.070 -0.071 0.000 2.996 741 H HA 0.199 4.756 4.556 0.001 0.000 0.368 741 H C -1.102 173.917 175.328 -0.516 0.000 1.185 741 H CA -0.816 55.041 56.048 -0.317 0.000 1.160 741 H CB 0.835 30.280 29.762 -0.528 0.000 1.820 741 H HN 0.687 nan 8.280 nan 0.000 0.547 742 H N 3.630 122.374 119.070 -0.544 0.000 2.745 742 H HA 0.166 4.723 4.556 0.001 0.000 0.235 742 H C 0.247 175.496 175.328 -0.133 0.000 1.815 742 H CA -0.282 55.610 56.048 -0.261 0.000 1.321 742 H CB -0.397 29.240 29.762 -0.208 0.000 1.716 742 H HN 0.440 nan 8.280 nan 0.000 0.546 743 H N 0.000 119.199 119.070 0.216 0.000 2.539 743 H HA 0.000 4.557 4.556 0.001 0.000 0.296 743 H CA 0.000 56.200 56.048 0.252 0.000 1.023 743 H CB 0.000 29.907 29.762 0.241 0.000 1.292 743 H HN 0.000 nan 8.280 nan 0.000 0.496