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 3dec_1_A DATA FIRST_RESID 4 DATA SEQUENCE QPEWQSQYAV GLNKLDPHTY VWPYADASEV EKGTFEQSPY YXSLNGQWKF DATA SEQUENCE HWVKNPDTRP KDFYKPSYYT GGWADIKVPG NWERQGYGTA IYVNETYEFD DATA SEQUENCE DKXFNFKKNP PLVPYKENEV GSYRRTFKVP AGWEGRRVVL CCEGVISFYY DATA SEQUENCE VWVNGEFLGY NQGSKTAAEW DITDKLTDGE NTIALEVYRW SSGAYLECQD DATA SEQUENCE XWRLSGIERD VYLYSTPEQY IADYKVTSLL EKEHYKEGIF ELEVAVGGTX DATA SEQUENCE XXTSSIAYTL KDASDKTVLE GSRKXXXXXX XNLIVFDEQR LPDVRRWNAE DATA SEQUENCE HPELYTLLLE LKDAGGKVTE ITGTKVGFRT SEIKNGRFCI NGVPVLVKGV DATA SEQUENCE NRHEHSQLGR TVSKELXEQD IRLXKQHNIN TVRNSHYPAH PYWYQLCDRY DATA SEQUENCE GLYVIDEANI ESHGXXXGPA SLAKDSTWLP AHIDRTRRXY ERSKNHPSVV DATA SEQUENCE IWSLGNEAGN GINFERTYDW LKSVEKNRPV QYERAEENYN TDIYcRXYRS DATA SEQUENCE VDVIRNYVVR KDIYRPFILc EYLHAXGNSC GGXKEYWEVF ENEPXAQGGC DATA SEQUENCE IWDWVDQSFR EVDKDGKWYW TYGGDYGPKD VPSFGNFCCN GLVNAVREPH DATA SEQUENCE PHLLEVKKIY QNIKSTLIDK KNLTVRVKNW FDFSDLNEYI LHWKVTGDDG DATA SEQUENCE TVLAEGNKEV ACEPHATVEL TLGAVQLPKT IREAYLDLGW TRKKSTPLVD DATA SEQUENCE TAWEIAYDQF VLPASGKVWN GKPSEAGKTT FEVDENTGAL KSLCLDGEEL DATA SEQUENCE LASPVTISLF RPATDNDNRD RXGAKLWRKA GLHTLTQKVV SLKESKTSAT DATA SEQUENCE AQVNILNVTG KKVGDATLEY TLNHNGSLKV QTTFQPDTTW VKSIARLGLT DATA SEQUENCE FEXNDTYGNV TYLGRGEHET YIDRNQSGKI GIYTTTPEKX FHYYVIPQST DATA SEQUENCE GNRTDVRWVK LADDSGKGCW IESDSPFQFS ALPFSDLLLE KALHINDLER DATA SEQUENCE NGRITVHLDA KQAGVGTATC GPGVLPPYLV PLGKQTFTFT IYPVK 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.832 176.000 -0.280 0.000 1.003 4 Q CA 0.000 55.685 55.803 -0.197 0.000 1.022 4 Q CB 0.000 28.657 28.738 -0.135 0.000 1.108 5 P HA 0.271 nan 4.420 nan 0.000 0.278 5 P C -0.290 176.589 177.300 -0.702 0.000 1.266 5 P CA -0.030 62.758 63.100 -0.520 0.000 0.807 5 P CB 0.874 32.213 31.700 -0.601 0.000 1.094 6 E N 0.001 119.880 120.200 -0.534 0.000 2.130 6 E HA -0.151 4.192 4.350 -0.011 0.000 0.196 6 E C 1.486 177.599 176.600 -0.811 0.000 0.998 6 E CA 1.627 57.689 56.400 -0.564 0.000 0.806 6 E CB -0.438 28.953 29.700 -0.513 0.000 0.738 6 E HN 0.606 nan 8.360 nan 0.000 0.459 7 W N -0.329 120.264 121.300 -1.178 0.000 3.077 7 W HA 0.095 4.751 4.660 -0.008 0.000 0.245 7 W C 0.289 176.471 176.519 -0.562 0.000 1.316 7 W CA 0.082 56.651 57.345 -1.293 0.000 1.537 7 W CB -0.120 28.260 29.460 -1.801 0.000 1.131 7 W HN 0.006 nan 8.180 nan 0.000 0.695 8 Q N 1.015 120.445 119.800 -0.616 0.000 2.247 8 Q HA 0.103 4.437 4.340 -0.011 0.000 0.204 8 Q C 0.058 175.922 176.000 -0.227 0.000 0.872 8 Q CA 0.304 55.885 55.803 -0.370 0.000 0.951 8 Q CB 0.993 29.448 28.738 -0.472 0.000 1.099 8 Q HN 0.086 nan 8.270 nan 0.000 0.501 9 S N 0.827 116.381 115.700 -0.243 0.000 2.513 9 S HA 0.199 4.663 4.470 -0.011 0.000 0.299 9 S C 0.808 175.283 174.600 -0.208 0.000 1.087 9 S CA -0.510 57.590 58.200 -0.166 0.000 1.012 9 S CB 1.190 64.325 63.200 -0.108 0.000 1.044 9 S HN 0.167 nan 8.310 nan 0.000 0.485 10 Q N 3.469 123.029 119.800 -0.400 0.000 2.425 10 Q HA -0.015 4.319 4.340 -0.011 0.000 0.204 10 Q C 0.151 175.831 176.000 -0.534 0.000 0.933 10 Q CA 1.040 56.406 55.803 -0.728 0.000 0.939 10 Q CB -0.363 27.247 28.738 -1.880 0.000 1.044 10 Q HN 0.889 nan 8.270 nan 0.000 0.513 11 Y N 1.136 121.264 120.300 -0.286 0.000 2.448 11 Y HA 0.324 4.868 4.550 -0.011 0.000 0.289 11 Y C 1.805 177.668 175.900 -0.062 0.000 1.114 11 Y CA 0.346 58.348 58.100 -0.163 0.000 1.235 11 Y CB 0.154 38.531 38.460 -0.138 0.000 1.045 11 Y HN 0.158 nan 8.280 nan 0.000 0.554 12 A N 1.311 124.191 122.820 0.101 0.000 3.065 12 A HA 0.217 4.531 4.320 -0.011 0.000 0.262 12 A C 1.451 179.161 177.584 0.209 0.000 1.901 12 A CA 0.544 52.654 52.037 0.122 0.000 1.475 12 A CB -1.431 17.504 19.000 -0.109 0.000 0.984 12 A HN 0.375 nan 8.150 nan 0.000 0.618 13 V N -1.732 118.303 119.914 0.201 0.000 3.354 13 V HA 0.561 4.674 4.120 -0.011 0.000 0.258 13 V C 0.821 177.015 176.094 0.166 0.000 1.159 13 V CA 0.648 63.039 62.300 0.152 0.000 1.125 13 V CB -0.714 31.146 31.823 0.062 0.000 0.774 13 V HN 1.010 nan 8.190 nan 0.000 0.464 14 G N -0.477 108.466 108.800 0.239 0.000 2.466 14 G HA2 0.570 4.524 3.960 -0.011 0.000 0.291 14 G HA3 0.570 4.524 3.960 -0.011 0.000 0.291 14 G C -2.326 172.514 174.900 -0.100 0.000 1.460 14 G CA -0.367 44.776 45.100 0.071 0.000 0.791 14 G HN 0.433 nan 8.290 nan 0.000 0.505 15 L N 0.581 121.602 121.223 -0.336 0.000 2.614 15 L HA 0.561 4.894 4.340 -0.011 0.000 0.264 15 L C 0.301 177.074 176.870 -0.162 0.000 0.940 15 L CA -0.277 54.344 54.840 -0.365 0.000 0.903 15 L CB 1.716 43.292 42.059 -0.804 0.000 1.306 15 L HN 0.732 nan 8.230 nan 0.000 0.410 16 N N 1.209 119.847 118.700 -0.103 0.000 2.936 16 N HA -0.196 4.537 4.740 -0.011 0.000 0.236 16 N C -0.272 175.173 175.510 -0.108 0.000 0.930 16 N CA 1.211 54.247 53.050 -0.023 0.000 0.966 16 N CB -0.979 37.542 38.487 0.056 0.000 1.090 16 N HN 0.677 nan 8.380 nan 0.000 0.592 17 K N 0.647 120.832 120.400 -0.359 0.000 2.380 17 K HA 0.174 4.487 4.320 -0.011 0.000 0.267 17 K C 0.621 176.991 176.600 -0.383 0.000 0.990 17 K CA -0.455 55.400 56.287 -0.719 0.000 0.946 17 K CB 0.450 32.526 32.500 -0.706 0.000 0.937 17 K HN -0.074 nan 8.250 nan 0.000 0.491 18 L N 2.245 123.257 121.223 -0.351 0.000 2.467 18 L HA -0.024 4.310 4.340 -0.011 0.000 0.270 18 L C 0.286 177.076 176.870 -0.134 0.000 1.205 18 L CA 0.531 55.275 54.840 -0.161 0.000 0.828 18 L CB -0.029 41.989 42.059 -0.068 0.000 1.101 18 L HN 0.514 nan 8.230 nan 0.000 0.479 19 D N 3.396 123.761 120.400 -0.058 0.000 2.488 19 D HA 0.073 4.706 4.640 -0.011 0.000 0.238 19 D C -2.040 174.248 176.300 -0.021 0.000 1.138 19 D CA -0.730 53.240 54.000 -0.049 0.000 0.873 19 D CB 0.185 40.973 40.800 -0.020 0.000 1.183 19 D HN 0.298 nan 8.370 nan 0.000 0.458 20 P HA 0.056 nan 4.420 nan 0.000 0.266 20 P C -0.569 176.625 177.300 -0.177 0.000 1.195 20 P CA 0.366 63.331 63.100 -0.225 0.000 0.768 20 P CB 0.528 32.111 31.700 -0.195 0.000 0.838 21 H N -1.863 117.046 119.070 -0.269 0.000 2.950 21 H HA 0.559 5.109 4.556 -0.011 0.000 0.272 21 H C -0.723 174.337 175.328 -0.445 0.000 1.495 21 H CA -0.975 54.900 56.048 -0.289 0.000 1.183 21 H CB 0.135 29.756 29.762 -0.235 0.000 1.867 21 H HN 0.308 nan 8.280 nan 0.000 0.597 22 T N -0.267 114.131 114.554 -0.261 0.000 2.882 22 T HA 0.241 4.584 4.350 -0.011 0.000 0.287 22 T C -0.761 173.688 174.700 -0.417 0.000 1.014 22 T CA -0.420 61.401 62.100 -0.465 0.000 1.049 22 T CB -0.070 68.435 68.868 -0.604 0.000 1.001 22 T HN 0.360 nan 8.240 nan 0.000 0.525 23 Y N 2.478 122.447 120.300 -0.552 0.000 2.569 23 Y HA 0.270 4.813 4.550 -0.011 0.000 0.332 23 Y C 1.010 176.403 175.900 -0.845 0.000 1.120 23 Y CA -0.057 57.469 58.100 -0.957 0.000 1.416 23 Y CB 0.327 37.760 38.460 -1.712 0.000 1.210 23 Y HN 0.360 nan 8.280 nan 0.000 0.528 24 V N 1.251 120.836 119.914 -0.548 0.000 2.759 24 V HA 0.249 4.363 4.120 -0.011 0.000 0.342 24 V C -0.491 175.502 176.094 -0.168 0.000 1.228 24 V CA -1.278 60.900 62.300 -0.204 0.000 1.302 24 V CB -0.589 31.215 31.823 -0.031 0.000 1.496 24 V HN 0.606 nan 8.190 nan 0.000 0.628 25 W N 2.737 123.941 121.300 -0.160 0.000 2.343 25 W HA 0.250 4.903 4.660 -0.011 0.000 0.337 25 W C -2.184 174.312 176.519 -0.040 0.000 1.320 25 W CA -1.460 55.720 57.345 -0.275 0.000 1.290 25 W CB -0.126 29.008 29.460 -0.543 0.000 1.206 25 W HN 0.299 nan 8.180 nan 0.000 0.565 26 P HA 0.169 nan 4.420 nan 0.000 0.287 26 P C -1.091 176.421 177.300 0.354 0.000 1.294 26 P CA 0.087 63.384 63.100 0.329 0.000 0.776 26 P CB 0.617 32.469 31.700 0.253 0.000 0.889 27 Y N 1.294 121.805 120.300 0.351 0.000 2.545 27 Y HA 0.466 5.010 4.550 -0.011 0.000 0.324 27 Y C 1.851 177.932 175.900 0.303 0.000 1.220 27 Y CA -0.700 57.580 58.100 0.300 0.000 1.290 27 Y CB 0.984 39.580 38.460 0.227 0.000 1.355 27 Y HN 0.375 nan 8.280 nan 0.000 0.516 28 A N -0.101 122.942 122.820 0.372 0.000 2.147 28 A HA 0.126 4.439 4.320 -0.011 0.000 0.211 28 A C -0.346 177.363 177.584 0.209 0.000 1.160 28 A CA 1.005 53.183 52.037 0.235 0.000 0.781 28 A CB 0.017 19.067 19.000 0.083 0.000 0.842 28 A HN 0.648 nan 8.150 nan 0.000 0.475 29 D N -2.820 117.705 120.400 0.209 0.000 2.795 29 D HA 0.454 5.087 4.640 -0.011 0.000 0.206 29 D C 0.626 176.969 176.300 0.072 0.000 1.278 29 D CA 0.233 54.307 54.000 0.123 0.000 0.839 29 D CB 1.109 41.971 40.800 0.103 0.000 1.700 29 D HN 0.012 nan 8.370 nan 0.000 0.549 30 A N 2.630 125.472 122.820 0.037 0.000 1.997 30 A HA -0.186 4.128 4.320 -0.011 0.000 0.221 30 A C 2.049 179.612 177.584 -0.034 0.000 1.172 30 A CA 2.395 54.422 52.037 -0.016 0.000 0.645 30 A CB -0.339 18.658 19.000 -0.005 0.000 0.813 30 A HN 0.472 nan 8.150 nan 0.000 0.454 31 S N -1.150 114.550 115.700 0.000 0.000 2.402 31 S HA -0.150 4.314 4.470 -0.011 0.000 0.229 31 S C 1.940 176.542 174.600 0.002 0.000 1.021 31 S CA 1.381 59.581 58.200 0.000 0.000 0.974 31 S CB -0.319 62.890 63.200 0.015 0.000 0.800 31 S HN 0.667 nan 8.310 nan 0.000 0.484 32 E N 0.091 120.310 120.200 0.031 0.000 2.072 32 E HA -0.095 4.248 4.350 -0.011 0.000 0.191 32 E C 1.993 178.550 176.600 -0.072 0.000 0.985 32 E CA 1.320 57.775 56.400 0.092 0.000 0.801 32 E CB -0.041 29.824 29.700 0.274 0.000 0.750 32 E HN 0.402 nan 8.360 nan 0.000 0.452 33 V N 1.758 121.459 119.914 -0.356 0.000 2.407 33 V HA -0.236 3.878 4.120 -0.011 0.000 0.248 33 V C 2.473 178.410 176.094 -0.261 0.000 1.055 33 V CA 1.858 63.747 62.300 -0.686 0.000 1.049 33 V CB -0.517 30.981 31.823 -0.542 0.000 0.662 33 V HN 0.312 nan 8.190 nan 0.000 0.455 34 E N 0.989 121.115 120.200 -0.123 0.000 2.110 34 E HA -0.248 4.095 4.350 -0.011 0.000 0.193 34 E C 2.042 178.639 176.600 -0.006 0.000 0.988 34 E CA 1.436 57.807 56.400 -0.047 0.000 0.804 34 E CB -0.014 29.668 29.700 -0.031 0.000 0.745 34 E HN 0.535 nan 8.360 nan 0.000 0.458 35 K N -0.741 119.668 120.400 0.014 0.000 2.432 35 K HA 0.067 4.381 4.320 -0.011 0.000 0.196 35 K C 1.149 177.820 176.600 0.119 0.000 1.038 35 K CA 0.680 56.999 56.287 0.054 0.000 0.986 35 K CB -0.046 32.486 32.500 0.053 0.000 0.782 35 K HN 0.309 nan 8.250 nan 0.000 0.485 36 G N 0.680 109.586 108.800 0.177 0.000 2.179 36 G HA2 -0.274 3.680 3.960 -0.011 0.000 0.257 36 G HA3 -0.274 3.680 3.960 -0.011 0.000 0.257 36 G C 0.386 175.528 174.900 0.403 0.000 1.010 36 G CA 0.743 46.061 45.100 0.364 0.000 0.736 36 G HN 0.292 nan 8.290 nan 0.000 0.513 37 T N 1.274 116.021 114.554 0.322 0.000 3.820 37 T HA 0.342 4.685 4.350 -0.011 0.000 0.224 37 T C 1.596 176.249 174.700 -0.078 0.000 0.869 37 T CA 0.429 62.568 62.100 0.065 0.000 0.932 37 T CB -0.687 68.216 68.868 0.059 0.000 1.259 37 T HN 0.585 nan 8.240 nan 0.000 0.676 38 F N 0.155 119.905 119.950 -0.334 0.000 2.558 38 F HA 0.209 4.729 4.527 -0.011 0.000 0.298 38 F C 1.644 176.923 175.800 -0.869 0.000 1.119 38 F CA 0.280 57.810 58.000 -0.783 0.000 1.451 38 F CB -0.383 37.898 39.000 -1.197 0.000 1.091 38 F HN 0.258 nan 8.300 nan 0.000 0.563 39 E N 0.547 119.809 120.200 -1.564 0.000 2.418 39 E HA -0.104 4.240 4.350 -0.011 0.000 0.197 39 E C 1.128 177.307 176.600 -0.701 0.000 1.026 39 E CA 0.503 55.935 56.400 -1.612 0.000 0.862 39 E CB -0.261 28.620 29.700 -1.365 0.000 0.799 39 E HN 0.620 nan 8.360 nan 0.000 0.518 40 Q N 0.419 119.972 119.800 -0.411 0.000 2.219 40 Q HA 0.123 4.457 4.340 -0.011 0.000 0.209 40 Q C 0.595 176.563 176.000 -0.054 0.000 0.854 40 Q CA 0.001 55.707 55.803 -0.161 0.000 0.960 40 Q CB 0.800 29.466 28.738 -0.121 0.000 1.116 40 Q HN -0.030 nan 8.270 nan 0.000 0.500 41 S N 3.027 118.697 115.700 -0.049 0.000 2.572 41 S HA 0.129 4.592 4.470 -0.011 0.000 0.279 41 S C -1.434 173.232 174.600 0.109 0.000 1.341 41 S CA -1.046 57.185 58.200 0.051 0.000 1.043 41 S CB 0.881 64.137 63.200 0.092 0.000 0.887 41 S HN -0.006 nan 8.310 nan 0.000 0.516 42 P HA 0.026 nan 4.420 nan 0.000 0.233 42 P C 0.010 177.460 177.300 0.249 0.000 1.167 42 P CA 0.835 63.922 63.100 -0.020 0.000 0.770 42 P CB -0.101 31.425 31.700 -0.290 0.000 0.837 43 Y N -1.991 118.555 120.300 0.409 0.000 2.493 43 Y HA 0.254 4.798 4.550 -0.011 0.000 0.275 43 Y C 1.067 177.189 175.900 0.370 0.000 1.183 43 Y CA -1.061 57.197 58.100 0.264 0.000 1.258 43 Y CB -0.691 37.816 38.460 0.079 0.000 1.108 43 Y HN -0.028 nan 8.280 nan 0.000 0.521 47 L N 2.638 123.951 121.223 0.150 0.000 2.769 47 L HA 0.349 4.683 4.340 -0.011 0.000 0.240 47 L C 0.117 177.223 176.870 0.393 0.000 1.163 47 L CA -0.295 54.657 54.840 0.186 0.000 0.962 47 L CB -0.154 42.017 42.059 0.186 0.000 1.258 47 L HN 0.483 nan 8.230 nan 0.000 0.513 48 N N 1.020 119.905 118.700 0.309 0.000 2.444 48 N HA 0.562 5.296 4.740 -0.011 0.000 0.255 48 N C 0.573 176.264 175.510 0.301 0.000 1.255 48 N CA 0.809 54.046 53.050 0.311 0.000 0.933 48 N CB 1.097 39.700 38.487 0.194 0.000 1.143 48 N HN 0.229 nan 8.380 nan 0.000 0.453 49 G N -0.495 108.489 108.800 0.307 0.000 2.302 49 G HA2 -0.061 3.893 3.960 -0.011 0.000 0.276 49 G HA3 -0.061 3.893 3.960 -0.011 0.000 0.276 49 G C -1.746 173.381 174.900 0.378 0.000 1.316 49 G CA -0.782 44.478 45.100 0.266 0.000 0.988 49 G HN 0.374 nan 8.290 nan 0.000 0.479 50 Q N -0.524 119.459 119.800 0.305 0.000 2.267 50 Q HA 0.519 4.853 4.340 -0.011 0.000 0.255 50 Q C -1.090 175.183 176.000 0.454 0.000 0.923 50 Q CA 0.208 56.209 55.803 0.330 0.000 0.925 50 Q CB 1.505 30.358 28.738 0.191 0.000 1.195 50 Q HN 0.456 nan 8.270 nan 0.000 0.417 51 W N 1.456 122.865 121.300 0.182 0.000 2.864 51 W HA 0.344 4.997 4.660 -0.011 0.000 0.343 51 W C -0.044 176.641 176.519 0.275 0.000 1.109 51 W CA -0.784 56.712 57.345 0.252 0.000 1.192 51 W CB 0.910 30.590 29.460 0.366 0.000 1.426 51 W HN 0.184 nan 8.180 nan 0.000 0.529 52 K N 2.092 122.807 120.400 0.524 0.000 2.326 52 K HA 0.357 4.670 4.320 -0.011 0.000 0.275 52 K C -0.934 176.056 176.600 0.649 0.000 1.018 52 K CA -0.241 56.368 56.287 0.536 0.000 0.962 52 K CB 0.470 33.243 32.500 0.455 0.000 0.953 52 K HN 0.431 nan 8.250 nan 0.000 0.475 53 F N 1.640 121.739 119.950 0.248 0.000 2.601 53 F HA 0.358 4.876 4.527 -0.014 0.000 0.309 53 F C -0.882 174.547 175.800 -0.618 0.000 1.089 53 F CA -0.707 57.151 58.000 -0.237 0.000 0.940 53 F CB 1.660 40.408 39.000 -0.420 0.000 1.273 53 F HN 0.549 nan 8.300 nan 0.000 0.450 54 H N 3.357 121.205 119.070 -2.035 0.000 2.974 54 H HA 0.254 4.806 4.556 -0.007 0.000 0.366 54 H C -2.304 171.928 175.328 -1.827 0.000 1.155 54 H CA -0.585 54.356 56.048 -1.844 0.000 1.186 54 H CB 1.882 30.310 29.762 -2.224 0.000 1.799 54 H HN 0.865 nan 8.280 nan 0.000 0.541 55 W N 6.647 126.994 121.300 -1.588 0.000 2.839 55 W HA 0.512 5.176 4.660 0.007 0.000 0.334 55 W C -1.563 174.529 176.519 -0.712 0.000 1.064 55 W CA -0.545 56.089 57.345 -1.185 0.000 1.236 55 W CB 0.979 29.795 29.460 -1.074 0.000 1.405 55 W HN 0.422 nan 8.180 nan 0.000 0.478 56 V N 2.634 121.743 119.914 -1.341 0.000 2.962 56 V HA 0.594 4.707 4.120 -0.011 0.000 0.313 56 V C -0.927 174.232 176.094 -1.558 0.000 1.099 56 V CA -1.630 59.944 62.300 -1.210 0.000 0.971 56 V CB 1.770 33.257 31.823 -0.561 0.000 1.028 56 V HN 0.556 nan 8.190 nan 0.000 0.430 57 K N 3.274 122.985 120.400 -1.149 0.000 2.248 57 K HA 0.461 4.775 4.320 -0.011 0.000 0.281 57 K C -0.226 176.199 176.600 -0.291 0.000 1.054 57 K CA -0.082 55.856 56.287 -0.581 0.000 0.903 57 K CB 0.183 32.537 32.500 -0.243 0.000 1.077 57 K HN 1.001 nan 8.250 nan 0.000 0.474 58 N N 4.611 123.190 118.700 -0.201 0.000 3.048 58 N HA -0.064 4.670 4.740 -0.011 0.000 0.262 58 N C -2.568 172.902 175.510 -0.066 0.000 1.340 58 N CA -0.458 52.565 53.050 -0.046 0.000 1.148 58 N CB -0.187 38.325 38.487 0.041 0.000 0.994 58 N HN 0.373 nan 8.380 nan 0.000 0.507 59 P HA -0.097 nan 4.420 nan 0.000 0.222 59 P C 0.662 178.053 177.300 0.152 0.000 1.142 59 P CA 1.037 64.140 63.100 0.005 0.000 0.788 59 P CB 0.239 31.972 31.700 0.056 0.000 0.767 60 D N -1.592 118.946 120.400 0.231 0.000 2.224 60 D HA -0.069 4.565 4.640 -0.011 0.000 0.205 60 D C 1.629 177.985 176.300 0.093 0.000 0.965 60 D CA 1.499 55.618 54.000 0.199 0.000 0.852 60 D CB -0.637 40.289 40.800 0.210 0.000 0.947 60 D HN 0.283 nan 8.370 nan 0.000 0.494 61 T N -1.297 113.279 114.554 0.038 0.000 3.188 61 T HA 0.061 4.404 4.350 -0.011 0.000 0.250 61 T C 0.865 175.534 174.700 -0.051 0.000 1.077 61 T CA -0.633 61.466 62.100 -0.003 0.000 0.967 61 T CB 0.029 68.881 68.868 -0.027 0.000 1.006 61 T HN 0.116 nan 8.240 nan 0.000 0.552 62 R N 1.367 121.826 120.500 -0.068 0.000 2.560 62 R HA 0.380 4.713 4.340 -0.011 0.000 0.270 62 R C -2.489 173.732 176.300 -0.132 0.000 1.074 62 R CA -1.698 54.307 56.100 -0.158 0.000 1.140 62 R CB -0.322 29.879 30.300 -0.166 0.000 1.073 62 R HN -0.006 nan 8.270 nan 0.000 0.527 63 P HA 0.092 nan 4.420 nan 0.000 0.256 63 P C -0.575 176.676 177.300 -0.080 0.000 1.688 63 P CA -0.107 62.892 63.100 -0.169 0.000 1.162 63 P CB 0.390 31.925 31.700 -0.275 0.000 1.870 64 K N 0.843 121.249 120.400 0.011 0.000 2.218 64 K HA -0.136 4.178 4.320 -0.011 0.000 0.205 64 K C 0.468 177.084 176.600 0.027 0.000 1.046 64 K CA 1.166 57.512 56.287 0.099 0.000 0.933 64 K CB -0.082 32.487 32.500 0.114 0.000 0.728 64 K HN 0.333 nan 8.250 nan 0.000 0.454 65 D N 0.292 120.560 120.400 -0.220 0.000 2.363 65 D HA 0.018 4.651 4.640 -0.011 0.000 0.214 65 D C 1.151 176.876 176.300 -0.959 0.000 1.093 65 D CA -0.177 53.482 54.000 -0.569 0.000 0.837 65 D CB -0.061 40.587 40.800 -0.254 0.000 0.948 65 D HN 0.238 nan 8.370 nan 0.000 0.507 66 F N 0.827 120.112 119.950 -1.109 0.000 2.346 66 F HA -0.281 4.241 4.527 -0.008 0.000 0.301 66 F C 1.766 177.211 175.800 -0.591 0.000 1.070 66 F CA 0.766 58.088 58.000 -1.131 0.000 1.407 66 F CB -0.958 37.705 39.000 -0.562 0.000 1.072 66 F HN 0.036 nan 8.300 nan 0.000 0.543 67 Y N 0.376 119.759 120.300 -1.529 0.000 2.546 67 Y HA 0.374 4.917 4.550 -0.012 0.000 0.287 67 Y C 0.352 175.831 175.900 -0.701 0.000 1.158 67 Y CA -1.116 56.153 58.100 -1.385 0.000 1.307 67 Y CB -0.975 36.206 38.460 -2.132 0.000 1.036 67 Y HN -0.083 nan 8.280 nan 0.000 0.532 68 K N 2.348 122.187 120.400 -0.935 0.000 2.249 68 K HA 0.167 4.480 4.320 -0.011 0.000 0.280 68 K C -1.980 174.474 176.600 -0.242 0.000 1.033 68 K CA -1.789 54.209 56.287 -0.481 0.000 0.946 68 K CB 0.781 33.002 32.500 -0.464 0.000 1.005 68 K HN -0.078 nan 8.250 nan 0.000 0.469 69 P HA -0.258 nan 4.420 nan 0.000 0.216 69 P C 0.869 178.120 177.300 -0.081 0.000 1.150 69 P CA 1.345 64.387 63.100 -0.097 0.000 0.843 69 P CB 0.123 31.780 31.700 -0.072 0.000 0.787 70 S N -2.804 112.846 115.700 -0.083 0.000 2.469 70 S HA -0.175 4.289 4.470 -0.011 0.000 0.238 70 S C 0.728 175.296 174.600 -0.054 0.000 0.998 70 S CA 0.095 58.254 58.200 -0.068 0.000 0.957 70 S CB -1.485 61.670 63.200 -0.074 0.000 0.764 70 S HN 0.154 nan 8.310 nan 0.000 0.514 71 Y N 2.203 122.388 120.300 -0.192 0.000 2.465 71 Y HA 0.331 4.874 4.550 -0.012 0.000 0.331 71 Y C -0.067 175.735 175.900 -0.164 0.000 1.102 71 Y CA -1.343 56.646 58.100 -0.186 0.000 1.358 71 Y CB 0.198 38.496 38.460 -0.269 0.000 1.213 71 Y HN 0.267 nan 8.280 nan 0.000 0.525 72 Y N 6.123 126.058 120.300 -0.608 0.000 2.350 72 Y HA 0.252 4.796 4.550 -0.010 0.000 0.340 72 Y C 0.559 176.171 175.900 -0.480 0.000 1.006 72 Y CA -0.385 57.463 58.100 -0.419 0.000 1.166 72 Y CB 0.993 39.242 38.460 -0.353 0.000 1.168 72 Y HN 0.721 nan 8.280 nan 0.000 0.502 73 T N 0.847 114.791 114.554 -1.018 0.000 3.266 73 T HA 0.241 4.584 4.350 -0.011 0.000 0.278 73 T C 1.338 175.428 174.700 -1.017 0.000 1.010 73 T CA 0.101 61.413 62.100 -1.313 0.000 0.909 73 T CB 0.016 68.108 68.868 -1.294 0.000 1.122 73 T HN 0.782 nan 8.240 nan 0.000 0.536 74 G N 1.223 109.136 108.800 -1.480 0.000 2.484 74 G HA2 0.219 4.172 3.960 -0.011 0.000 0.218 74 G HA3 0.219 4.172 3.960 -0.011 0.000 0.218 74 G C 1.260 176.016 174.900 -0.240 0.000 1.130 74 G CA 0.234 44.898 45.100 -0.728 0.000 0.784 74 G HN 0.627 nan 8.290 nan 0.000 0.543 75 G N -0.721 107.970 108.800 -0.182 0.000 3.448 75 G HA2 0.318 4.271 3.960 -0.011 0.000 0.261 75 G HA3 0.318 4.271 3.960 -0.011 0.000 0.261 75 G C -0.262 174.830 174.900 0.318 0.000 1.173 75 G CA -0.709 44.471 45.100 0.133 0.000 0.835 75 G HN 0.125 nan 8.290 nan 0.000 0.534 76 W N 0.111 121.398 121.300 -0.023 0.000 2.436 76 W HA 0.747 5.403 4.660 -0.006 0.000 0.347 76 W C 0.495 177.041 176.519 0.044 0.000 1.136 76 W CA -1.769 55.593 57.345 0.028 0.000 1.286 76 W CB 1.093 30.572 29.460 0.031 0.000 1.253 76 W HN 0.128 nan 8.180 nan 0.000 0.617 77 A N 1.694 124.668 122.820 0.257 0.000 2.296 77 A HA 0.390 4.703 4.320 -0.011 0.000 0.264 77 A C -0.072 177.665 177.584 0.254 0.000 1.097 77 A CA -0.296 51.865 52.037 0.207 0.000 0.811 77 A CB 0.130 19.238 19.000 0.179 0.000 1.072 77 A HN 0.558 nan 8.150 nan 0.000 0.495 78 D N -0.625 119.900 120.400 0.208 0.000 2.332 78 D HA 0.572 5.206 4.640 -0.011 0.000 0.252 78 D C -0.685 175.730 176.300 0.192 0.000 1.050 78 D CA 0.163 54.299 54.000 0.226 0.000 0.970 78 D CB 2.023 42.931 40.800 0.181 0.000 1.141 78 D HN 0.459 nan 8.370 nan 0.000 0.485 79 I N -0.283 120.392 120.570 0.175 0.000 2.802 79 I HA 0.210 4.373 4.170 -0.011 0.000 0.298 79 I C -0.900 175.269 176.117 0.086 0.000 1.176 79 I CA -0.867 60.447 61.300 0.025 0.000 1.025 79 I CB 2.315 40.107 38.000 -0.348 0.000 1.243 79 I HN 0.057 nan 8.210 nan 0.000 0.424 80 K N 5.474 125.891 120.400 0.030 0.000 2.298 80 K HA 0.520 4.833 4.320 -0.011 0.000 0.280 80 K C -1.638 174.968 176.600 0.010 0.000 1.032 80 K CA -0.340 55.978 56.287 0.052 0.000 0.958 80 K CB 1.101 33.610 32.500 0.014 0.000 0.978 80 K HN 0.464 nan 8.250 nan 0.000 0.472 81 V N 7.104 127.027 119.914 0.015 0.000 2.531 81 V HA 0.397 4.511 4.120 -0.011 0.000 0.301 81 V C -2.200 173.877 176.094 -0.029 0.000 1.034 81 V CA -1.814 60.407 62.300 -0.132 0.000 0.865 81 V CB 1.588 33.092 31.823 -0.531 0.000 0.995 81 V HN 0.877 nan 8.190 nan 0.000 0.424 82 P HA 0.676 nan 4.420 nan 0.000 0.281 82 P C -0.229 177.029 177.300 -0.070 0.000 1.264 82 P CA -0.349 62.697 63.100 -0.090 0.000 0.824 82 P CB 1.806 33.486 31.700 -0.033 0.000 1.092 83 G N 0.239 108.987 108.800 -0.087 0.000 2.158 83 G HA2 0.035 3.988 3.960 -0.011 0.000 0.238 83 G HA3 0.035 3.988 3.960 -0.011 0.000 0.238 83 G C -1.244 173.598 174.900 -0.096 0.000 1.723 83 G CA -0.949 44.102 45.100 -0.082 0.000 0.911 83 G HN 0.454 nan 8.290 nan 0.000 0.741 84 N N 0.637 119.259 118.700 -0.130 0.000 2.353 84 N HA 0.200 4.933 4.740 -0.011 0.000 0.248 84 N C 1.330 176.752 175.510 -0.146 0.000 1.240 84 N CA 0.748 53.680 53.050 -0.197 0.000 0.862 84 N CB 0.506 38.857 38.487 -0.227 0.000 1.086 84 N HN 0.800 nan 8.380 nan 0.000 0.453 85 W N 1.673 122.893 121.300 -0.134 0.000 2.519 85 W HA 0.133 4.782 4.660 -0.019 0.000 0.266 85 W C 0.922 177.341 176.519 -0.166 0.000 1.253 85 W CA 0.224 57.456 57.345 -0.187 0.000 1.274 85 W CB -0.516 28.791 29.460 -0.255 0.000 1.114 85 W HN 0.507 nan 8.180 nan 0.000 0.596 86 E N 0.727 120.904 120.200 -0.038 0.000 2.267 86 E HA -0.137 4.206 4.350 -0.011 0.000 0.197 86 E C 1.753 178.165 176.600 -0.313 0.000 0.998 86 E CA 1.246 57.567 56.400 -0.130 0.000 0.830 86 E CB -0.189 29.367 29.700 -0.239 0.000 0.751 86 E HN 0.070 nan 8.360 nan 0.000 0.491 87 R N 0.164 120.469 120.500 -0.324 0.000 2.466 87 R HA 0.177 4.510 4.340 -0.011 0.000 0.279 87 R C 0.161 176.296 176.300 -0.275 0.000 0.976 87 R CA 0.185 56.033 56.100 -0.420 0.000 1.081 87 R CB 0.381 30.393 30.300 -0.480 0.000 1.215 87 R HN 0.282 nan 8.270 nan 0.000 0.546 88 Q N -0.733 118.955 119.800 -0.187 0.000 2.106 88 Q HA 0.242 4.575 4.340 -0.011 0.000 0.273 88 Q C 0.192 176.034 176.000 -0.264 0.000 0.853 88 Q CA 0.140 55.844 55.803 -0.164 0.000 1.118 88 Q CB 1.523 30.214 28.738 -0.079 0.000 1.240 88 Q HN 0.370 nan 8.270 nan 0.000 0.445 89 G N 0.399 108.998 108.800 -0.335 0.000 2.175 89 G HA2 -0.287 3.666 3.960 -0.011 0.000 0.244 89 G HA3 -0.287 3.666 3.960 -0.011 0.000 0.244 89 G C -0.396 174.089 174.900 -0.692 0.000 0.982 89 G CA -0.303 44.499 45.100 -0.496 0.000 0.641 89 G HN 0.355 nan 8.290 nan 0.000 0.527 90 Y N 0.542 120.654 120.300 -0.313 0.000 2.360 90 Y HA 0.511 5.065 4.550 0.006 0.000 0.337 90 Y C 1.288 176.898 175.900 -0.484 0.000 1.039 90 Y CA 0.319 58.078 58.100 -0.568 0.000 1.109 90 Y CB 1.658 39.683 38.460 -0.726 0.000 1.201 90 Y HN 1.026 nan 8.280 nan 0.000 0.458 91 G N 1.691 110.062 108.800 -0.714 0.000 2.601 91 G HA2 -0.192 3.761 3.960 -0.011 0.000 0.261 91 G HA3 -0.192 3.761 3.960 -0.011 0.000 0.261 91 G C -0.771 174.111 174.900 -0.030 0.000 1.289 91 G CA -0.211 44.699 45.100 -0.317 0.000 0.920 91 G HN 0.675 nan 8.290 nan 0.000 0.571 92 T N 0.653 115.299 114.554 0.153 0.000 2.890 92 T HA 0.711 5.055 4.350 -0.011 0.000 0.295 92 T C 0.361 175.182 174.700 0.203 0.000 0.993 92 T CA 0.542 62.749 62.100 0.178 0.000 0.979 92 T CB 1.582 70.623 68.868 0.289 0.000 0.967 92 T HN 1.855 nan 8.240 nan 0.000 0.441 93 A N 4.048 126.932 122.820 0.105 0.000 2.492 93 A HA 0.604 4.918 4.320 -0.011 0.000 0.254 93 A C -0.116 177.829 177.584 0.601 0.000 1.091 93 A CA -0.037 52.120 52.037 0.200 0.000 0.768 93 A CB -0.453 18.398 19.000 -0.248 0.000 1.028 93 A HN 0.846 nan 8.150 nan 0.000 0.498 94 I N 2.230 123.220 120.570 0.699 0.000 2.498 94 I HA 0.266 4.430 4.170 -0.011 0.000 0.290 94 I C -0.951 175.504 176.117 0.564 0.000 1.032 94 I CA -0.453 61.228 61.300 0.636 0.000 1.073 94 I CB 1.956 40.224 38.000 0.448 0.000 1.251 94 I HN 0.701 nan 8.210 nan 0.000 0.426 95 Y N 8.250 128.588 120.300 0.062 0.000 2.342 95 Y HA 0.718 5.259 4.550 -0.014 0.000 0.338 95 Y C -0.797 175.063 175.900 -0.067 0.000 0.965 95 Y CA -0.790 57.112 58.100 -0.329 0.000 1.159 95 Y CB 0.929 38.706 38.460 -1.139 0.000 1.157 95 Y HN 0.318 nan 8.280 nan 0.000 0.486 96 V N 3.145 122.602 119.914 -0.762 0.000 3.156 96 V HA 0.657 4.770 4.120 -0.011 0.000 0.311 96 V C -0.732 174.882 176.094 -0.801 0.000 1.208 96 V CA -0.557 61.292 62.300 -0.752 0.000 1.063 96 V CB 1.949 33.559 31.823 -0.355 0.000 1.098 96 V HN 0.711 nan 8.190 nan 0.000 0.452 97 N N -0.220 118.058 118.700 -0.704 0.000 3.251 97 N HA 0.193 4.927 4.740 -0.011 0.000 0.227 97 N C 1.004 176.152 175.510 -0.604 0.000 1.084 97 N CA 0.975 53.663 53.050 -0.604 0.000 1.167 97 N CB 0.618 38.596 38.487 -0.848 0.000 1.548 97 N HN 0.806 nan 8.380 nan 0.000 0.592 98 E N 0.046 119.746 120.200 -0.834 0.000 2.451 98 E HA 0.166 4.509 4.350 -0.011 0.000 0.194 98 E C -0.506 175.657 176.600 -0.729 0.000 1.027 98 E CA -0.059 55.766 56.400 -0.957 0.000 0.914 98 E CB 0.626 29.646 29.700 -1.132 0.000 1.054 98 E HN 0.498 nan 8.360 nan 0.000 0.461 99 T N -2.551 111.610 114.554 -0.654 0.000 2.916 99 T HA 0.440 4.784 4.350 -0.011 0.000 0.292 99 T C -0.573 173.717 174.700 -0.682 0.000 1.064 99 T CA -0.784 60.983 62.100 -0.555 0.000 1.011 99 T CB 0.957 69.595 68.868 -0.383 0.000 1.152 99 T HN -0.090 nan 8.240 nan 0.000 0.510 100 Y N 1.580 121.634 120.300 -0.410 0.000 2.320 100 Y HA 0.283 4.825 4.550 -0.012 0.000 0.334 100 Y C 2.011 177.527 175.900 -0.640 0.000 1.055 100 Y CA -0.920 56.763 58.100 -0.694 0.000 1.143 100 Y CB 1.306 38.980 38.460 -1.311 0.000 1.193 100 Y HN 0.828 nan 8.280 nan 0.000 0.477 101 E N 3.076 123.068 120.200 -0.347 0.000 2.204 101 E HA -0.229 4.114 4.350 -0.011 0.000 0.195 101 E C 1.285 177.753 176.600 -0.219 0.000 0.990 101 E CA 1.545 57.865 56.400 -0.133 0.000 0.821 101 E CB -0.549 29.206 29.700 0.092 0.000 0.750 101 E HN 0.782 nan 8.360 nan 0.000 0.477 102 F N 1.948 121.615 119.950 -0.472 0.000 2.558 102 F HA 0.184 4.704 4.527 -0.013 0.000 0.298 102 F C 0.852 176.563 175.800 -0.149 0.000 1.119 102 F CA 0.068 57.570 58.000 -0.830 0.000 1.451 102 F CB -0.610 37.305 39.000 -1.808 0.000 1.091 102 F HN -0.192 nan 8.300 nan 0.000 0.563 103 D N 1.494 121.837 120.400 -0.095 0.000 2.688 103 D HA 0.128 4.761 4.640 -0.011 0.000 0.228 103 D C -1.215 175.184 176.300 0.165 0.000 1.116 103 D CA 0.206 54.308 54.000 0.170 0.000 1.023 103 D CB -0.766 40.062 40.800 0.046 0.000 1.100 103 D HN 0.522 nan 8.370 nan 0.000 0.487 104 D N -0.146 120.430 120.400 0.294 0.000 2.655 104 D HA 0.214 4.847 4.640 -0.011 0.000 0.229 104 D C -0.469 176.014 176.300 0.304 0.000 1.229 104 D CA -0.910 53.259 54.000 0.281 0.000 0.807 104 D CB 1.216 42.215 40.800 0.333 0.000 1.514 104 D HN 0.127 nan 8.370 nan 0.000 0.444 108 N N 1.344 120.247 118.700 0.338 0.000 2.725 108 N HA -0.250 4.483 4.740 -0.011 0.000 0.251 108 N C -0.923 174.834 175.510 0.410 0.000 1.031 108 N CA 1.216 54.443 53.050 0.296 0.000 0.720 108 N CB -1.293 37.341 38.487 0.244 0.000 0.930 108 N HN 0.396 nan 8.380 nan 0.000 0.543 109 F N 0.190 120.260 119.950 0.199 0.000 2.615 109 F HA 0.384 4.905 4.527 -0.011 0.000 0.312 109 F C -0.824 175.076 175.800 0.166 0.000 1.119 109 F CA -0.777 57.330 58.000 0.177 0.000 0.979 109 F CB 1.358 40.469 39.000 0.185 0.000 1.266 109 F HN -0.177 nan 8.300 nan 0.000 0.444 110 K N 4.658 124.788 120.400 -0.449 0.000 2.207 110 K HA 0.379 4.693 4.320 -0.011 0.000 0.255 110 K C -0.911 175.398 176.600 -0.485 0.000 0.941 110 K CA -1.245 54.880 56.287 -0.270 0.000 0.825 110 K CB 2.083 34.467 32.500 -0.194 0.000 1.119 110 K HN 0.626 nan 8.250 nan 0.000 0.430 111 K N 1.319 121.696 120.400 -0.038 0.000 2.436 111 K HA 0.003 4.317 4.320 -0.011 0.000 0.275 111 K C -0.378 176.248 176.600 0.043 0.000 0.999 111 K CA 0.085 56.497 56.287 0.208 0.000 0.980 111 K CB 0.275 32.950 32.500 0.291 0.000 0.919 111 K HN 0.554 nan 8.250 nan 0.000 0.484 112 N N 2.897 121.702 118.700 0.176 0.000 2.926 112 N HA 0.182 4.915 4.740 -0.011 0.000 0.201 112 N C -2.912 172.631 175.510 0.057 0.000 1.419 112 N CA -1.302 51.769 53.050 0.035 0.000 0.838 112 N CB 0.843 39.290 38.487 -0.066 0.000 1.534 112 N HN 0.421 nan 8.380 nan 0.000 0.569 113 P HA 0.179 nan 4.420 nan 0.000 0.267 113 P C -2.053 175.234 177.300 -0.022 0.000 1.200 113 P CA -0.614 62.186 63.100 -0.500 0.000 0.772 113 P CB 0.434 31.637 31.700 -0.827 0.000 0.855 114 P HA 0.147 nan 4.420 nan 0.000 0.257 114 P C 0.051 177.550 177.300 0.332 0.000 1.325 114 P CA 0.288 63.514 63.100 0.210 0.000 0.850 114 P CB 0.351 32.056 31.700 0.008 0.000 1.324 115 L N 0.916 122.327 121.223 0.314 0.000 2.326 115 L HA 0.314 4.648 4.340 -0.011 0.000 0.278 115 L C 0.898 177.934 176.870 0.276 0.000 1.092 115 L CA -0.872 54.140 54.840 0.287 0.000 0.810 115 L CB 1.456 43.697 42.059 0.304 0.000 1.153 115 L HN -0.161 nan 8.230 nan 0.000 0.439 116 V N 1.153 120.972 119.914 -0.159 0.000 3.096 116 V HA 0.663 4.777 4.120 -0.011 0.000 0.319 116 V C -2.556 172.970 176.094 -0.947 0.000 1.103 116 V CA -2.693 59.075 62.300 -0.886 0.000 1.016 116 V CB 1.319 32.629 31.823 -0.855 0.000 1.090 116 V HN 0.503 nan 8.190 nan 0.000 0.449 117 P HA 0.155 nan 4.420 nan 0.000 0.268 117 P C -0.719 176.578 177.300 -0.004 0.000 1.208 117 P CA 0.469 63.146 63.100 -0.706 0.000 0.777 117 P CB 0.302 31.761 31.700 -0.402 0.000 0.875 118 Y N 2.290 122.637 120.300 0.079 0.000 2.333 118 Y HA 0.149 4.692 4.550 -0.011 0.000 0.287 118 Y C 2.101 178.145 175.900 0.240 0.000 1.149 118 Y CA 0.938 59.190 58.100 0.252 0.000 1.193 118 Y CB 0.083 38.655 38.460 0.187 0.000 1.175 118 Y HN 0.095 nan 8.280 nan 0.000 0.518 119 K N 0.184 120.921 120.400 0.560 0.000 2.283 119 K HA -0.123 4.190 4.320 -0.011 0.000 0.202 119 K C 1.031 177.793 176.600 0.269 0.000 1.048 119 K CA 1.591 58.123 56.287 0.409 0.000 0.948 119 K CB 0.103 32.787 32.500 0.307 0.000 0.742 119 K HN 0.335 nan 8.250 nan 0.000 0.458 120 E N 0.050 120.441 120.200 0.319 0.000 2.479 120 E HA 0.009 4.353 4.350 -0.011 0.000 0.193 120 E C -0.065 176.766 176.600 0.385 0.000 1.049 120 E CA -0.091 56.550 56.400 0.401 0.000 0.870 120 E CB 0.041 30.113 29.700 0.620 0.000 0.944 120 E HN 0.121 nan 8.360 nan 0.000 0.492 121 N N 1.843 120.682 118.700 0.232 0.000 2.444 121 N HA 0.002 4.736 4.740 -0.011 0.000 0.255 121 N C -0.553 174.832 175.510 -0.208 0.000 1.255 121 N CA 0.252 53.323 53.050 0.036 0.000 0.933 121 N CB 0.574 39.034 38.487 -0.046 0.000 1.143 121 N HN -0.035 nan 8.380 nan 0.000 0.453 122 E N 0.280 120.273 120.200 -0.345 0.000 2.199 122 E HA 0.448 4.791 4.350 -0.011 0.000 0.269 122 E C -0.988 175.333 176.600 -0.464 0.000 0.899 122 E CA -0.916 55.255 56.400 -0.381 0.000 0.772 122 E CB 1.903 31.591 29.700 -0.021 0.000 1.155 122 E HN 0.203 nan 8.360 nan 0.000 0.408 123 V N 1.543 121.023 119.914 -0.723 0.000 2.448 123 V HA 0.586 4.699 4.120 -0.011 0.000 0.295 123 V C 0.223 175.821 176.094 -0.826 0.000 1.025 123 V CA -0.850 60.993 62.300 -0.763 0.000 0.859 123 V CB 1.746 33.102 31.823 -0.778 0.000 0.988 123 V HN 0.787 nan 8.190 nan 0.000 0.431 124 G N 2.411 110.845 108.800 -0.611 0.000 2.468 124 G HA2 0.540 4.494 3.960 -0.011 0.000 0.315 124 G HA3 0.540 4.494 3.960 -0.011 0.000 0.315 124 G C -0.327 174.256 174.900 -0.528 0.000 1.203 124 G CA -0.348 44.242 45.100 -0.850 0.000 0.962 124 G HN 0.643 nan 8.290 nan 0.000 0.476 125 S N 1.543 116.692 115.700 -0.918 0.000 2.457 125 S HA 0.491 4.954 4.470 -0.011 0.000 0.289 125 S C -0.986 173.400 174.600 -0.357 0.000 1.163 125 S CA -0.361 57.394 58.200 -0.741 0.000 1.078 125 S CB 0.773 63.099 63.200 -1.455 0.000 0.987 125 S HN 0.527 nan 8.310 nan 0.000 0.482 126 Y N 1.588 122.031 120.300 0.237 0.000 2.377 126 Y HA 0.670 5.214 4.550 -0.010 0.000 0.339 126 Y C 0.480 176.917 175.900 0.895 0.000 1.011 126 Y CA -0.813 57.658 58.100 0.618 0.000 1.093 126 Y CB 1.617 40.384 38.460 0.512 0.000 1.201 126 Y HN 0.544 nan 8.280 nan 0.000 0.455 127 R N 2.775 123.878 120.500 1.005 0.000 2.604 127 R HA 0.648 4.981 4.340 -0.011 0.000 0.270 127 R C -1.559 174.885 176.300 0.240 0.000 1.052 127 R CA -0.916 55.564 56.100 0.634 0.000 0.902 127 R CB 2.074 32.663 30.300 0.481 0.000 1.233 127 R HN 0.954 nan 8.270 nan 0.000 0.455 128 R N -0.201 120.194 120.500 -0.175 0.000 2.781 128 R HA 0.551 4.884 4.340 -0.011 0.000 0.269 128 R C -1.216 174.981 176.300 -0.172 0.000 1.025 128 R CA -0.876 55.021 56.100 -0.338 0.000 0.914 128 R CB 1.593 31.316 30.300 -0.962 0.000 1.236 128 R HN 0.620 nan 8.270 nan 0.000 0.465 129 T N -1.414 113.074 114.554 -0.110 0.000 2.938 129 T HA 0.839 5.182 4.350 -0.011 0.000 0.285 129 T C -0.380 174.366 174.700 0.078 0.000 1.028 129 T CA -0.711 61.360 62.100 -0.049 0.000 1.005 129 T CB 1.112 69.921 68.868 -0.098 0.000 1.157 129 T HN 0.686 nan 8.240 nan 0.000 0.550 130 F N -2.450 117.433 119.950 -0.111 0.000 2.769 130 F HA 0.657 5.177 4.527 -0.012 0.000 0.313 130 F C -1.804 173.948 175.800 -0.080 0.000 1.146 130 F CA -1.383 56.558 58.000 -0.099 0.000 0.934 130 F CB 1.268 40.209 39.000 -0.099 0.000 1.283 130 F HN 0.593 nan 8.300 nan 0.000 0.443 131 K N 2.416 122.831 120.400 0.025 0.000 2.206 131 K HA 0.615 4.928 4.320 -0.011 0.000 0.264 131 K C -1.049 175.573 176.600 0.037 0.000 0.967 131 K CA -1.177 55.068 56.287 -0.069 0.000 0.844 131 K CB 2.750 35.206 32.500 -0.073 0.000 1.099 131 K HN 0.570 nan 8.250 nan 0.000 0.441 132 V N 4.362 124.277 119.914 0.001 0.000 2.540 132 V HA 0.018 4.131 4.120 -0.011 0.000 0.297 132 V C -1.907 174.070 176.094 -0.196 0.000 1.024 132 V CA -1.253 61.032 62.300 -0.026 0.000 1.105 132 V CB -0.372 31.499 31.823 0.079 0.000 0.938 132 V HN 0.646 nan 8.190 nan 0.000 0.482 133 P HA 0.061 nan 4.420 nan 0.000 0.265 133 P C 0.732 177.894 177.300 -0.231 0.000 1.187 133 P CA 0.316 63.129 63.100 -0.478 0.000 0.766 133 P CB 0.647 31.755 31.700 -0.987 0.000 0.820 134 A N 3.768 126.528 122.820 -0.100 0.000 1.908 134 A HA -0.110 4.204 4.320 -0.011 0.000 0.218 134 A C 2.234 179.873 177.584 0.090 0.000 1.181 134 A CA 2.028 54.067 52.037 0.003 0.000 0.627 134 A CB -1.682 17.323 19.000 0.008 0.000 0.818 134 A HN 0.648 nan 8.150 nan 0.000 0.445 135 G N -2.552 106.320 108.800 0.120 0.000 2.586 135 G HA2 -0.144 3.809 3.960 -0.011 0.000 0.215 135 G HA3 -0.144 3.809 3.960 -0.011 0.000 0.215 135 G C 0.711 175.896 174.900 0.476 0.000 1.128 135 G CA 0.556 45.817 45.100 0.269 0.000 0.774 135 G HN 0.598 nan 8.290 nan 0.000 0.543 136 W N 0.739 122.123 121.300 0.140 0.000 3.325 136 W HA 0.427 5.080 4.660 -0.011 0.000 0.370 136 W C 0.517 177.094 176.519 0.096 0.000 1.169 136 W CA -1.844 55.588 57.345 0.144 0.000 1.874 136 W CB -0.337 29.209 29.460 0.144 0.000 1.076 136 W HN 0.120 nan 8.180 nan 0.000 0.684 137 E N 0.246 120.613 120.200 0.278 0.000 2.351 137 E HA 0.349 4.693 4.350 -0.011 0.000 0.266 137 E C 1.494 178.174 176.600 0.133 0.000 1.031 137 E CA 1.488 57.992 56.400 0.174 0.000 0.911 137 E CB 0.218 29.996 29.700 0.131 0.000 0.986 137 E HN 0.302 nan 8.360 nan 0.000 0.446 138 G N 4.407 113.271 108.800 0.106 0.000 2.199 138 G HA2 -0.332 3.621 3.960 -0.011 0.000 0.254 138 G HA3 -0.332 3.621 3.960 -0.011 0.000 0.254 138 G C 0.317 175.244 174.900 0.045 0.000 0.982 138 G CA 0.317 45.458 45.100 0.069 0.000 0.632 138 G HN 0.556 nan 8.290 nan 0.000 0.529 139 R N 0.221 120.750 120.500 0.049 0.000 2.615 139 R HA 0.505 4.838 4.340 -0.011 0.000 0.270 139 R C 0.850 177.118 176.300 -0.053 0.000 1.081 139 R CA -0.471 55.609 56.100 -0.033 0.000 1.154 139 R CB 0.620 30.858 30.300 -0.104 0.000 1.063 139 R HN 0.350 nan 8.270 nan 0.000 0.519 140 R N 1.194 121.617 120.500 -0.128 0.000 2.441 140 R HA 0.268 4.602 4.340 -0.011 0.000 0.284 140 R C -1.125 175.036 176.300 -0.232 0.000 1.070 140 R CA -0.315 55.686 56.100 -0.165 0.000 1.047 140 R CB 0.853 31.006 30.300 -0.244 0.000 1.016 140 R HN 0.312 nan 8.270 nan 0.000 0.477 141 V N 4.830 124.635 119.914 -0.181 0.000 2.540 141 V HA 0.384 4.498 4.120 -0.011 0.000 0.302 141 V C -0.567 175.377 176.094 -0.251 0.000 1.035 141 V CA -0.845 61.335 62.300 -0.199 0.000 0.873 141 V CB 1.943 33.782 31.823 0.028 0.000 0.992 141 V HN 0.544 nan 8.190 nan 0.000 0.428 142 V N 5.247 124.893 119.914 -0.446 0.000 2.495 142 V HA 0.471 4.585 4.120 -0.011 0.000 0.298 142 V C -0.366 175.571 176.094 -0.262 0.000 1.031 142 V CA -0.666 61.360 62.300 -0.457 0.000 0.871 142 V CB 1.806 33.092 31.823 -0.895 0.000 0.988 142 V HN 0.727 nan 8.190 nan 0.000 0.432 143 L N 5.722 126.911 121.223 -0.058 0.000 2.290 143 L HA 0.615 4.949 4.340 -0.011 0.000 0.284 143 L C -0.380 176.524 176.870 0.056 0.000 1.078 143 L CA 0.350 55.211 54.840 0.035 0.000 0.815 143 L CB 0.912 43.047 42.059 0.126 0.000 1.162 143 L HN 0.817 nan 8.230 nan 0.000 0.435 144 C N 6.161 125.415 119.300 -0.075 0.000 2.322 144 C HA 0.627 5.080 4.460 -0.011 0.000 0.324 144 C C -0.315 174.574 174.990 -0.168 0.000 1.249 144 C CA -0.746 58.168 59.018 -0.173 0.000 1.453 144 C CB -0.597 26.851 27.740 -0.487 0.000 2.145 144 C HN 0.951 nan 8.230 nan 0.000 0.466 145 C N 6.608 125.924 119.300 0.026 0.000 2.239 145 C HA 0.349 4.802 4.460 -0.011 0.000 0.323 145 C C 1.492 176.520 174.990 0.063 0.000 1.205 145 C CA -0.484 58.559 59.018 0.043 0.000 1.584 145 C CB 0.292 28.082 27.740 0.085 0.000 2.201 145 C HN 0.882 nan 8.230 nan 0.000 0.475 146 E N 1.427 121.682 120.200 0.092 0.000 2.268 146 E HA 0.051 4.395 4.350 -0.011 0.000 0.195 146 E C 1.063 177.728 176.600 0.108 0.000 0.995 146 E CA 0.728 57.216 56.400 0.147 0.000 0.836 146 E CB 0.272 30.086 29.700 0.190 0.000 0.763 146 E HN 0.982 nan 8.360 nan 0.000 0.491 147 G N -0.611 108.226 108.800 0.063 0.000 2.503 147 G HA2 0.382 4.335 3.960 -0.011 0.000 0.305 147 G HA3 0.382 4.335 3.960 -0.011 0.000 0.305 147 G C -1.494 173.395 174.900 -0.018 0.000 1.575 147 G CA -0.622 44.509 45.100 0.051 0.000 0.890 147 G HN -0.043 nan 8.290 nan 0.000 0.612 148 V N 2.475 122.392 119.914 0.005 0.000 2.851 148 V HA 0.659 4.772 4.120 -0.011 0.000 0.307 148 V C -0.664 175.453 176.094 0.038 0.000 1.129 148 V CA -0.725 61.536 62.300 -0.065 0.000 0.932 148 V CB 2.101 33.768 31.823 -0.259 0.000 1.024 148 V HN 0.903 nan 8.190 nan 0.000 0.426 149 I N 2.384 122.948 120.570 -0.011 0.000 2.436 149 I HA 0.531 4.695 4.170 -0.011 0.000 0.289 149 I C 0.643 176.766 176.117 0.011 0.000 1.010 149 I CA 0.242 61.558 61.300 0.026 0.000 1.098 149 I CB 2.311 40.300 38.000 -0.018 0.000 1.266 149 I HN 0.716 nan 8.210 nan 0.000 0.434 150 S N 6.418 122.185 115.700 0.112 0.000 2.691 150 S HA 0.302 4.765 4.470 -0.011 0.000 0.241 150 S C -0.085 174.693 174.600 0.297 0.000 1.077 150 S CA -0.073 58.241 58.200 0.190 0.000 0.900 150 S CB 0.207 63.526 63.200 0.199 0.000 0.805 150 S HN 0.556 nan 8.310 nan 0.000 0.529 151 F N 2.720 122.758 119.950 0.148 0.000 2.556 151 F HA 0.672 5.191 4.527 -0.012 0.000 0.314 151 F C -1.378 174.554 175.800 0.220 0.000 1.106 151 F CA -1.250 56.811 58.000 0.102 0.000 0.911 151 F CB 1.575 40.556 39.000 -0.031 0.000 1.190 151 F HN 0.341 nan 8.300 nan 0.000 0.448 152 Y N 2.692 122.557 120.300 -0.725 0.000 2.553 152 Y HA 0.666 5.210 4.550 -0.010 0.000 0.347 152 Y C -2.047 173.380 175.900 -0.789 0.000 1.019 152 Y CA -1.873 55.962 58.100 -0.443 0.000 1.032 152 Y CB 0.792 39.219 38.460 -0.054 0.000 1.284 152 Y HN 0.560 nan 8.280 nan 0.000 0.466 153 Y N 1.764 122.080 120.300 0.026 0.000 2.320 153 Y HA 0.547 5.090 4.550 -0.012 0.000 0.324 153 Y C -0.137 175.684 175.900 -0.131 0.000 1.190 153 Y CA -0.897 57.112 58.100 -0.150 0.000 1.215 153 Y CB 1.873 40.245 38.460 -0.146 0.000 1.221 153 Y HN 0.645 nan 8.280 nan 0.000 0.486 154 V N 3.878 123.567 119.914 -0.374 0.000 2.656 154 V HA 0.509 4.622 4.120 -0.011 0.000 0.307 154 V C -1.638 174.186 176.094 -0.449 0.000 1.051 154 V CA -0.770 61.394 62.300 -0.227 0.000 0.893 154 V CB 1.082 32.720 31.823 -0.308 0.000 0.999 154 V HN 0.795 nan 8.190 nan 0.000 0.426 155 W N 4.474 125.770 121.300 -0.005 0.000 2.689 155 W HA 0.737 5.390 4.660 -0.012 0.000 0.340 155 W C -1.140 175.384 176.519 0.009 0.000 1.060 155 W CA -0.853 56.478 57.345 -0.024 0.000 1.218 155 W CB 2.246 31.719 29.460 0.022 0.000 1.410 155 W HN 0.404 nan 8.180 nan 0.000 0.528 156 V N 3.267 123.318 119.914 0.228 0.000 2.444 156 V HA 0.148 4.262 4.120 -0.011 0.000 0.294 156 V C 0.184 176.383 176.094 0.175 0.000 1.022 156 V CA -0.710 61.713 62.300 0.206 0.000 0.850 156 V CB 1.348 33.277 31.823 0.176 0.000 0.992 156 V HN 0.727 nan 8.190 nan 0.000 0.426 157 N N 3.983 122.766 118.700 0.137 0.000 2.741 157 N HA -0.214 4.519 4.740 -0.011 0.000 0.250 157 N C 1.171 176.736 175.510 0.091 0.000 1.115 157 N CA 1.719 54.810 53.050 0.069 0.000 0.724 157 N CB -1.116 37.396 38.487 0.040 0.000 1.090 157 N HN 1.527 nan 8.380 nan 0.000 0.558 158 G N -1.041 107.850 108.800 0.152 0.000 2.205 158 G HA2 -0.322 3.631 3.960 -0.011 0.000 0.261 158 G HA3 -0.322 3.631 3.960 -0.011 0.000 0.261 158 G C -0.301 174.796 174.900 0.328 0.000 0.980 158 G CA 0.556 45.780 45.100 0.208 0.000 0.632 158 G HN 0.514 nan 8.290 nan 0.000 0.533 159 E N 0.534 120.903 120.200 0.282 0.000 2.194 159 E HA 0.381 4.724 4.350 -0.011 0.000 0.284 159 E C -0.025 176.779 176.600 0.339 0.000 1.035 159 E CA -0.999 55.567 56.400 0.276 0.000 0.836 159 E CB 1.105 30.895 29.700 0.150 0.000 1.070 159 E HN 0.159 nan 8.360 nan 0.000 0.401 160 F N 3.273 123.305 119.950 0.137 0.000 2.604 160 F HA -0.123 4.397 4.527 -0.012 0.000 0.393 160 F C 0.865 176.501 175.800 -0.273 0.000 1.043 160 F CA 0.313 58.167 58.000 -0.242 0.000 1.227 160 F CB 0.278 39.150 39.000 -0.213 0.000 1.016 160 F HN 0.462 nan 8.300 nan 0.000 0.556 161 L N 4.227 124.895 121.223 -0.925 0.000 2.221 161 L HA 0.345 4.678 4.340 -0.011 0.000 0.202 161 L C 1.421 177.536 176.870 -1.258 0.000 1.074 161 L CA 0.645 54.901 54.840 -0.973 0.000 0.795 161 L CB -0.782 40.571 42.059 -1.176 0.000 0.960 161 L HN 0.855 nan 8.230 nan 0.000 0.458 162 G N -1.477 106.194 108.800 -1.881 0.000 2.373 162 G HA2 0.145 4.098 3.960 -0.011 0.000 0.250 162 G HA3 0.145 4.098 3.960 -0.011 0.000 0.250 162 G C -2.018 172.309 174.900 -0.956 0.000 1.304 162 G CA -0.162 44.085 45.100 -1.421 0.000 0.948 162 G HN 0.031 nan 8.290 nan 0.000 0.474 163 Y N -0.970 119.146 120.300 -0.306 0.000 2.705 163 Y HA 0.863 5.406 4.550 -0.011 0.000 0.332 163 Y C -0.780 174.864 175.900 -0.426 0.000 1.221 163 Y CA -1.547 56.241 58.100 -0.520 0.000 1.059 163 Y CB 1.421 39.571 38.460 -0.517 0.000 1.298 163 Y HN 1.018 nan 8.280 nan 0.000 0.459 164 N N -0.318 118.052 118.700 -0.550 0.000 2.367 164 N HA 0.442 5.175 4.740 -0.011 0.000 0.278 164 N C -2.134 173.240 175.510 -0.226 0.000 1.117 164 N CA -0.545 52.320 53.050 -0.308 0.000 0.867 164 N CB 2.348 40.639 38.487 -0.326 0.000 1.649 164 N HN 0.763 nan 8.380 nan 0.000 0.479 165 Q N 0.872 120.700 119.800 0.048 0.000 2.387 165 Q HA 0.671 5.005 4.340 -0.011 0.000 0.273 165 Q C -0.964 175.104 176.000 0.114 0.000 1.089 165 Q CA -0.893 55.005 55.803 0.158 0.000 0.824 165 Q CB 2.201 31.076 28.738 0.228 0.000 1.367 165 Q HN 0.938 nan 8.270 nan 0.000 0.443 166 G N 0.776 109.661 108.800 0.142 0.000 2.826 166 G HA2 -0.178 3.776 3.960 -0.011 0.000 0.623 166 G HA3 -0.178 3.776 3.960 -0.011 0.000 0.623 166 G C 0.172 175.145 174.900 0.121 0.000 1.127 166 G CA -0.003 45.168 45.100 0.118 0.000 1.165 166 G HN 0.608 nan 8.290 nan 0.000 0.504 167 S N 0.121 115.895 115.700 0.124 0.000 2.593 167 S HA 0.202 4.666 4.470 -0.011 0.000 0.217 167 S C 1.382 176.025 174.600 0.072 0.000 0.966 167 S CA 0.830 59.090 58.200 0.100 0.000 0.914 167 S CB 0.304 63.550 63.200 0.076 0.000 0.776 167 S HN 0.497 nan 8.310 nan 0.000 0.523 168 K N 1.487 121.945 120.400 0.097 0.000 2.477 168 K HA 0.201 4.515 4.320 -0.011 0.000 0.208 168 K C 0.200 176.899 176.600 0.165 0.000 1.117 168 K CA 0.369 56.727 56.287 0.117 0.000 1.039 168 K CB 1.261 33.852 32.500 0.152 0.000 0.937 168 K HN 0.627 nan 8.250 nan 0.000 0.570 169 T N -2.289 112.340 114.554 0.126 0.000 2.901 169 T HA 0.719 5.062 4.350 -0.011 0.000 0.293 169 T C -0.067 174.674 174.700 0.068 0.000 1.084 169 T CA -0.919 61.246 62.100 0.108 0.000 1.008 169 T CB 2.238 71.143 68.868 0.061 0.000 1.170 169 T HN 0.046 nan 8.240 nan 0.000 0.509 170 A N 0.769 123.620 122.820 0.051 0.000 2.466 170 A HA 0.665 4.979 4.320 -0.011 0.000 0.238 170 A C 0.591 178.126 177.584 -0.081 0.000 1.074 170 A CA -0.199 51.852 52.037 0.022 0.000 0.774 170 A CB -0.634 18.389 19.000 0.037 0.000 1.015 170 A HN 1.538 nan 8.150 nan 0.000 0.498 171 A N 1.684 124.455 122.820 -0.080 0.000 2.337 171 A HA 0.700 5.013 4.320 -0.011 0.000 0.329 171 A C -0.295 177.042 177.584 -0.412 0.000 1.146 171 A CA -0.563 51.281 52.037 -0.322 0.000 0.800 171 A CB 0.860 19.676 19.000 -0.307 0.000 1.220 171 A HN 0.834 nan 8.150 nan 0.000 0.472 172 E N 1.224 121.024 120.200 -0.667 0.000 2.293 172 E HA 0.389 4.733 4.350 -0.011 0.000 0.270 172 E C -1.660 174.548 176.600 -0.655 0.000 0.879 172 E CA -0.409 55.735 56.400 -0.427 0.000 0.756 172 E CB 1.985 31.590 29.700 -0.157 0.000 1.208 172 E HN 0.714 nan 8.360 nan 0.000 0.428 173 W N 1.577 122.827 121.300 -0.084 0.000 2.819 173 W HA 0.181 4.834 4.660 -0.012 0.000 0.337 173 W C -0.383 176.064 176.519 -0.119 0.000 1.077 173 W CA -0.688 56.592 57.345 -0.109 0.000 1.226 173 W CB 1.836 31.222 29.460 -0.124 0.000 1.419 173 W HN 0.497 nan 8.180 nan 0.000 0.502 174 D N 3.233 123.681 120.400 0.080 0.000 2.338 174 D HA 0.134 4.768 4.640 -0.011 0.000 0.255 174 D C 0.697 177.020 176.300 0.037 0.000 1.237 174 D CA -0.036 53.957 54.000 -0.012 0.000 0.883 174 D CB 0.616 41.381 40.800 -0.059 0.000 1.087 174 D HN 0.373 nan 8.370 nan 0.000 0.485 175 I N 0.599 121.187 120.570 0.029 0.000 3.941 175 I HA 0.111 4.274 4.170 -0.011 0.000 0.335 175 I C 1.315 177.466 176.117 0.056 0.000 1.402 175 I CA -0.513 60.821 61.300 0.056 0.000 1.112 175 I CB 0.090 38.143 38.000 0.087 0.000 1.043 175 I HN 0.042 nan 8.210 nan 0.000 0.395 176 T N 2.060 116.628 114.554 0.023 0.000 2.620 176 T HA -0.254 4.089 4.350 -0.011 0.000 0.267 176 T C 1.444 176.172 174.700 0.047 0.000 1.044 176 T CA 2.493 64.610 62.100 0.029 0.000 1.161 176 T CB -0.540 68.323 68.868 -0.008 0.000 0.862 176 T HN 0.726 nan 8.240 nan 0.000 0.438 177 D N 0.887 121.310 120.400 0.037 0.000 2.349 177 D HA -0.024 4.610 4.640 -0.011 0.000 0.224 177 D C 1.372 177.701 176.300 0.048 0.000 1.029 177 D CA 0.452 54.476 54.000 0.040 0.000 0.879 177 D CB -0.233 40.586 40.800 0.032 0.000 0.906 177 D HN 0.331 nan 8.370 nan 0.000 0.528 178 K N -0.133 120.302 120.400 0.059 0.000 2.353 178 K HA 0.222 4.536 4.320 -0.011 0.000 0.195 178 K C 0.635 177.278 176.600 0.072 0.000 1.031 178 K CA -0.191 56.136 56.287 0.066 0.000 1.079 178 K CB 0.980 33.523 32.500 0.071 0.000 0.857 178 K HN 0.176 nan 8.250 nan 0.000 0.535 179 L N 1.398 122.669 121.223 0.080 0.000 2.439 179 L HA 0.188 4.521 4.340 -0.011 0.000 0.261 179 L C 0.884 177.773 176.870 0.032 0.000 1.153 179 L CA -0.197 54.689 54.840 0.076 0.000 0.808 179 L CB 1.035 43.170 42.059 0.128 0.000 1.126 179 L HN 0.109 nan 8.230 nan 0.000 0.460 180 T N -3.297 111.251 114.554 -0.009 0.000 2.669 180 T HA 0.365 4.708 4.350 -0.011 0.000 0.283 180 T C -0.659 174.020 174.700 -0.035 0.000 1.019 180 T CA -0.978 61.111 62.100 -0.020 0.000 1.039 180 T CB 1.697 70.543 68.868 -0.037 0.000 1.374 180 T HN 0.329 nan 8.240 nan 0.000 0.523 181 D N -0.015 120.365 120.400 -0.033 0.000 2.344 181 D HA 0.555 5.189 4.640 -0.011 0.000 0.244 181 D C 1.213 177.472 176.300 -0.069 0.000 1.134 181 D CA 1.491 55.469 54.000 -0.037 0.000 0.930 181 D CB 0.728 41.514 40.800 -0.024 0.000 1.175 181 D HN 1.123 nan 8.370 nan 0.000 0.437 182 G N 1.469 110.226 108.800 -0.073 0.000 2.539 182 G HA2 -0.269 3.685 3.960 -0.011 0.000 0.256 182 G HA3 -0.269 3.685 3.960 -0.011 0.000 0.256 182 G C -0.145 174.667 174.900 -0.146 0.000 1.233 182 G CA -0.376 44.669 45.100 -0.090 0.000 0.936 182 G HN 0.579 nan 8.290 nan 0.000 0.571 183 E N 1.818 121.928 120.200 -0.150 0.000 2.328 183 E HA 0.096 4.439 4.350 -0.011 0.000 0.265 183 E C 0.379 176.802 176.600 -0.295 0.000 1.057 183 E CA 0.000 56.276 56.400 -0.208 0.000 0.916 183 E CB -0.016 29.596 29.700 -0.147 0.000 0.993 183 E HN 0.378 nan 8.360 nan 0.000 0.446 184 N N 1.835 120.208 118.700 -0.545 0.000 2.489 184 N HA 0.247 4.980 4.740 -0.011 0.000 0.284 184 N C -0.164 175.012 175.510 -0.557 0.000 1.158 184 N CA -0.170 52.463 53.050 -0.695 0.000 0.965 184 N CB 1.698 39.406 38.487 -1.299 0.000 1.195 184 N HN 0.412 nan 8.380 nan 0.000 0.506 185 T N -1.895 112.513 114.554 -0.243 0.000 2.924 185 T HA 0.695 5.038 4.350 -0.011 0.000 0.291 185 T C -0.281 174.538 174.700 0.199 0.000 1.045 185 T CA -0.803 61.281 62.100 -0.026 0.000 1.015 185 T CB 1.570 70.418 68.868 -0.033 0.000 1.103 185 T HN 0.450 nan 8.240 nan 0.000 0.496 186 I N 0.881 121.591 120.570 0.232 0.000 2.619 186 I HA 0.723 4.887 4.170 -0.011 0.000 0.292 186 I C -1.379 174.933 176.117 0.326 0.000 1.100 186 I CA -1.107 60.365 61.300 0.287 0.000 1.043 186 I CB 1.687 39.853 38.000 0.275 0.000 1.239 186 I HN 1.089 nan 8.210 nan 0.000 0.420 187 A N 8.304 131.377 122.820 0.422 0.000 2.374 187 A HA 0.783 5.096 4.320 -0.011 0.000 0.305 187 A C -1.585 176.450 177.584 0.751 0.000 1.053 187 A CA -0.578 51.808 52.037 0.583 0.000 0.726 187 A CB 1.260 20.372 19.000 0.186 0.000 1.229 187 A HN 0.630 nan 8.150 nan 0.000 0.431 188 L N 1.534 123.248 121.223 0.819 0.000 2.341 188 L HA 0.577 4.910 4.340 -0.011 0.000 0.278 188 L C -0.017 177.386 176.870 0.889 0.000 1.005 188 L CA -0.479 54.777 54.840 0.693 0.000 0.818 188 L CB 1.943 44.135 42.059 0.222 0.000 1.259 188 L HN 0.885 nan 8.230 nan 0.000 0.418 189 E N 2.806 123.596 120.200 0.983 0.000 2.092 189 E HA 0.456 4.800 4.350 -0.011 0.000 0.271 189 E C -1.480 175.488 176.600 0.613 0.000 0.919 189 E CA -0.555 56.326 56.400 0.801 0.000 0.760 189 E CB 1.685 32.051 29.700 1.110 0.000 1.106 189 E HN 0.388 nan 8.360 nan 0.000 0.408 190 V N 5.685 125.823 119.914 0.373 0.000 2.398 190 V HA 0.294 4.408 4.120 -0.011 0.000 0.286 190 V C -0.764 175.420 176.094 0.151 0.000 1.026 190 V CA -0.658 61.882 62.300 0.398 0.000 0.868 190 V CB 0.696 32.815 31.823 0.493 0.000 0.982 190 V HN 0.593 nan 8.190 nan 0.000 0.443 191 Y N 3.171 123.550 120.300 0.132 0.000 2.342 191 Y HA 0.421 4.965 4.550 -0.009 0.000 0.334 191 Y C 1.370 177.207 175.900 -0.104 0.000 1.067 191 Y CA -0.525 57.507 58.100 -0.113 0.000 1.128 191 Y CB 1.516 39.679 38.460 -0.496 0.000 1.200 191 Y HN 0.533 nan 8.280 nan 0.000 0.464 192 R N 2.304 122.727 120.500 -0.129 0.000 2.096 192 R HA -0.070 4.264 4.340 -0.011 0.000 0.235 192 R C -0.632 175.409 176.300 -0.432 0.000 1.127 192 R CA 1.199 57.061 56.100 -0.396 0.000 0.968 192 R CB 0.241 30.099 30.300 -0.737 0.000 0.861 192 R HN 0.584 nan 8.270 nan 0.000 0.440 193 W N 0.365 121.631 121.300 -0.057 0.000 2.785 193 W HA 0.367 5.020 4.660 -0.011 0.000 0.333 193 W C -0.400 176.053 176.519 -0.111 0.000 1.062 193 W CA -0.854 56.429 57.345 -0.103 0.000 1.233 193 W CB 1.406 30.707 29.460 -0.265 0.000 1.413 193 W HN 0.029 nan 8.180 nan 0.000 0.489 194 S N -0.362 115.477 115.700 0.231 0.000 2.806 194 S HA 0.440 4.904 4.470 -0.011 0.000 0.306 194 S C 0.636 175.334 174.600 0.163 0.000 1.167 194 S CA -0.492 57.825 58.200 0.195 0.000 0.847 194 S CB 1.724 65.026 63.200 0.170 0.000 1.216 194 S HN 0.177 nan 8.310 nan 0.000 0.532 195 S N 0.374 116.176 115.700 0.170 0.000 2.400 195 S HA 0.014 4.478 4.470 -0.011 0.000 0.232 195 S C 1.942 176.817 174.600 0.458 0.000 1.025 195 S CA 1.457 59.847 58.200 0.316 0.000 0.993 195 S CB -1.134 62.127 63.200 0.102 0.000 0.808 195 S HN 0.970 nan 8.310 nan 0.000 0.478 196 G N 1.133 110.122 108.800 0.316 0.000 2.470 196 G HA2 -0.024 3.929 3.960 -0.011 0.000 0.220 196 G HA3 -0.024 3.929 3.960 -0.011 0.000 0.220 196 G C 1.424 176.527 174.900 0.338 0.000 1.121 196 G CA 0.753 46.055 45.100 0.336 0.000 0.766 196 G HN 0.579 nan 8.290 nan 0.000 0.553 197 A N 0.017 123.013 122.820 0.293 0.000 2.015 197 A HA 0.053 4.366 4.320 -0.011 0.000 0.219 197 A C 2.031 179.801 177.584 0.309 0.000 1.163 197 A CA 0.965 53.177 52.037 0.292 0.000 0.646 197 A CB -0.528 18.668 19.000 0.326 0.000 0.806 197 A HN 0.464 nan 8.150 nan 0.000 0.448 198 Y N -0.384 120.108 120.300 0.320 0.000 2.403 198 Y HA -0.029 4.516 4.550 -0.009 0.000 0.291 198 Y C 1.650 177.686 175.900 0.227 0.000 1.143 198 Y CA 0.933 59.153 58.100 0.200 0.000 1.257 198 Y CB -0.036 38.425 38.460 0.003 0.000 0.984 198 Y HN 0.195 nan 8.280 nan 0.000 0.550 199 L N -0.373 121.057 121.223 0.346 0.000 2.667 199 L HA 0.112 4.445 4.340 -0.011 0.000 0.232 199 L C 0.128 177.144 176.870 0.244 0.000 1.138 199 L CA 0.399 55.374 54.840 0.224 0.000 0.921 199 L CB 0.139 42.282 42.059 0.140 0.000 1.180 199 L HN 0.133 nan 8.230 nan 0.000 0.487 200 E N -0.415 119.959 120.200 0.291 0.000 3.388 200 E HA 0.091 4.434 4.350 -0.011 0.000 0.214 200 E C -0.238 176.520 176.600 0.263 0.000 1.040 200 E CA -0.148 56.415 56.400 0.271 0.000 1.327 200 E CB 0.751 30.601 29.700 0.249 0.000 1.243 200 E HN 0.162 nan 8.360 nan 0.000 0.444 201 C N 1.967 121.403 119.300 0.226 0.000 2.285 201 C HA 0.224 4.678 4.460 -0.011 0.000 0.361 201 C C 0.443 175.486 174.990 0.088 0.000 1.361 201 C CA -0.373 58.690 59.018 0.075 0.000 1.775 201 C CB -1.557 26.102 27.740 -0.134 0.000 2.409 201 C HN 0.425 nan 8.230 nan 0.000 0.572 202 Q N 1.457 121.390 119.800 0.221 0.000 2.421 202 Q HA 0.204 4.537 4.340 -0.011 0.000 0.255 202 Q C 0.463 176.649 176.000 0.310 0.000 1.013 202 Q CA 0.742 56.745 55.803 0.332 0.000 0.895 202 Q CB 0.519 29.621 28.738 0.606 0.000 1.271 202 Q HN 0.539 nan 8.270 nan 0.000 0.460 206 R N 4.045 124.841 120.500 0.492 0.000 2.248 206 R HA 0.540 4.874 4.340 -0.011 0.000 0.337 206 R C -0.628 175.832 176.300 0.267 0.000 1.106 206 R CA -0.280 56.025 56.100 0.341 0.000 0.959 206 R CB -0.048 30.443 30.300 0.319 0.000 1.075 206 R HN 0.514 nan 8.270 nan 0.000 0.480 207 L N 0.489 121.794 121.223 0.137 0.000 2.283 207 L HA 0.579 4.913 4.340 -0.011 0.000 0.259 207 L C 0.063 176.780 176.870 -0.254 0.000 1.027 207 L CA -0.894 53.917 54.840 -0.048 0.000 0.828 207 L CB 2.326 44.379 42.059 -0.010 0.000 1.380 207 L HN 0.429 nan 8.230 nan 0.000 0.425 208 S N -0.737 114.609 115.700 -0.589 0.000 2.599 208 S HA 0.952 5.415 4.470 -0.011 0.000 0.287 208 S C -0.085 173.956 174.600 -0.932 0.000 1.105 208 S CA -0.100 57.541 58.200 -0.932 0.000 0.899 208 S CB 2.141 64.331 63.200 -1.683 0.000 1.100 208 S HN 1.169 nan 8.310 nan 0.000 0.482 209 G N 0.619 109.055 108.800 -0.607 0.000 2.428 209 G HA2 -0.063 3.891 3.960 -0.011 0.000 0.202 209 G HA3 -0.063 3.891 3.960 -0.011 0.000 0.202 209 G C -1.278 173.525 174.900 -0.161 0.000 1.247 209 G CA -0.866 44.155 45.100 -0.131 0.000 1.020 209 G HN 0.757 nan 8.290 nan 0.000 0.529 210 I N 1.429 121.858 120.570 -0.235 0.000 2.312 210 I HA 0.315 4.478 4.170 -0.011 0.000 0.291 210 I C 1.131 177.120 176.117 -0.214 0.000 1.031 210 I CA -0.087 60.995 61.300 -0.363 0.000 1.293 210 I CB 1.390 38.987 38.000 -0.672 0.000 1.403 210 I HN 0.730 nan 8.210 nan 0.000 0.484 211 E N 5.102 125.216 120.200 -0.142 0.000 2.340 211 E HA 0.179 4.522 4.350 -0.011 0.000 0.198 211 E C 0.393 176.990 176.600 -0.005 0.000 0.961 211 E CA 0.279 56.637 56.400 -0.070 0.000 0.905 211 E CB 0.728 30.397 29.700 -0.052 0.000 0.884 211 E HN 0.548 nan 8.360 nan 0.000 0.491 212 R N 0.708 121.214 120.500 0.010 0.000 2.950 212 R HA 0.236 4.569 4.340 -0.011 0.000 0.253 212 R C -0.779 175.582 176.300 0.102 0.000 1.168 212 R CA -0.904 55.260 56.100 0.107 0.000 1.014 212 R CB 0.887 31.272 30.300 0.142 0.000 1.228 212 R HN -0.019 nan 8.270 nan 0.000 0.487 213 D N 1.004 121.533 120.400 0.214 0.000 2.478 213 D HA 0.043 4.676 4.640 -0.011 0.000 0.234 213 D C -0.395 176.052 176.300 0.245 0.000 1.154 213 D CA 0.595 54.758 54.000 0.272 0.000 0.874 213 D CB 0.816 41.879 40.800 0.438 0.000 1.198 213 D HN -0.029 nan 8.370 nan 0.000 0.455 214 V N 2.558 122.611 119.914 0.231 0.000 2.495 214 V HA 0.476 4.590 4.120 -0.011 0.000 0.298 214 V C -0.505 175.765 176.094 0.293 0.000 1.031 214 V CA -0.630 61.774 62.300 0.173 0.000 0.871 214 V CB 0.873 32.789 31.823 0.155 0.000 0.988 214 V HN 0.561 nan 8.190 nan 0.000 0.432 215 Y N 3.440 123.838 120.300 0.163 0.000 2.689 215 Y HA 0.866 5.409 4.550 -0.012 0.000 0.333 215 Y C -1.885 174.064 175.900 0.082 0.000 1.208 215 Y CA -1.693 56.444 58.100 0.061 0.000 1.055 215 Y CB 1.312 39.763 38.460 -0.014 0.000 1.304 215 Y HN 0.358 nan 8.280 nan 0.000 0.455 216 L N 2.887 124.245 121.223 0.225 0.000 2.346 216 L HA 0.569 4.902 4.340 -0.011 0.000 0.276 216 L C -0.793 176.329 176.870 0.421 0.000 1.006 216 L CA -1.222 53.761 54.840 0.238 0.000 0.817 216 L CB 1.302 43.513 42.059 0.253 0.000 1.272 216 L HN 0.790 nan 8.230 nan 0.000 0.421 217 Y N 0.084 120.515 120.300 0.219 0.000 2.570 217 Y HA 0.862 5.405 4.550 -0.011 0.000 0.345 217 Y C -0.358 175.402 175.900 -0.234 0.000 1.014 217 Y CA -1.204 56.965 58.100 0.115 0.000 1.063 217 Y CB 1.995 40.688 38.460 0.388 0.000 1.272 217 Y HN 0.491 nan 8.280 nan 0.000 0.477 218 S N 1.327 116.818 115.700 -0.348 0.000 2.557 218 S HA 0.760 5.223 4.470 -0.011 0.000 0.291 218 S C -0.923 173.435 174.600 -0.404 0.000 1.116 218 S CA 0.046 57.860 58.200 -0.643 0.000 0.992 218 S CB 1.183 63.508 63.200 -1.458 0.000 1.028 218 S HN 1.262 nan 8.310 nan 0.000 0.484 219 T N 1.823 116.176 114.554 -0.334 0.000 2.907 219 T HA 0.805 5.149 4.350 -0.011 0.000 0.290 219 T C -3.169 171.408 174.700 -0.205 0.000 1.066 219 T CA -2.192 59.765 62.100 -0.237 0.000 1.012 219 T CB 1.237 70.031 68.868 -0.124 0.000 1.184 219 T HN 0.403 nan 8.240 nan 0.000 0.522 220 P HA 0.247 nan 4.420 nan 0.000 0.273 220 P C 0.963 178.283 177.300 0.033 0.000 1.250 220 P CA -0.318 62.755 63.100 -0.045 0.000 0.793 220 P CB 0.445 32.137 31.700 -0.014 0.000 1.011 221 E N -0.265 119.960 120.200 0.042 0.000 2.209 221 E HA -0.203 4.141 4.350 -0.011 0.000 0.196 221 E C 0.734 177.446 176.600 0.186 0.000 0.993 221 E CA 1.240 57.690 56.400 0.083 0.000 0.819 221 E CB 0.115 29.845 29.700 0.051 0.000 0.745 221 E HN 0.530 nan 8.360 nan 0.000 0.477 222 Q N -0.005 119.885 119.800 0.150 0.000 2.333 222 Q HA 0.321 4.654 4.340 -0.011 0.000 0.265 222 Q C -1.257 174.835 176.000 0.153 0.000 0.989 222 Q CA -0.641 55.224 55.803 0.102 0.000 0.842 222 Q CB 0.855 29.606 28.738 0.022 0.000 1.262 222 Q HN 0.014 nan 8.270 nan 0.000 0.451 223 Y N 0.886 121.172 120.300 -0.023 0.000 2.638 223 Y HA 0.619 5.163 4.550 -0.011 0.000 0.339 223 Y C -0.987 174.911 175.900 -0.004 0.000 1.084 223 Y CA -1.624 56.467 58.100 -0.016 0.000 1.068 223 Y CB 1.013 39.458 38.460 -0.025 0.000 1.294 223 Y HN 0.436 nan 8.280 nan 0.000 0.480 224 I N 2.413 123.047 120.570 0.106 0.000 2.421 224 I HA 0.256 4.419 4.170 -0.011 0.000 0.291 224 I C 0.795 176.966 176.117 0.090 0.000 1.089 224 I CA 0.188 61.522 61.300 0.056 0.000 1.354 224 I CB 1.272 39.348 38.000 0.126 0.000 1.413 224 I HN 0.942 nan 8.210 nan 0.000 0.513 225 A N 4.367 127.131 122.820 -0.094 0.000 2.030 225 A HA 0.086 4.400 4.320 -0.011 0.000 0.215 225 A C 0.559 178.033 177.584 -0.185 0.000 1.164 225 A CA 0.940 52.921 52.037 -0.093 0.000 0.697 225 A CB 0.051 18.940 19.000 -0.186 0.000 0.827 225 A HN 0.696 nan 8.150 nan 0.000 0.457 226 D N -3.895 116.465 120.400 -0.068 0.000 2.755 226 D HA 0.442 5.076 4.640 -0.011 0.000 0.277 226 D C -1.792 174.550 176.300 0.070 0.000 1.261 226 D CA -0.241 53.709 54.000 -0.082 0.000 0.759 226 D CB 0.878 41.633 40.800 -0.076 0.000 1.279 226 D HN 0.311 nan 8.370 nan 0.000 0.420 227 Y N -1.006 119.254 120.300 -0.066 0.000 2.573 227 Y HA 0.506 5.049 4.550 -0.011 0.000 0.328 227 Y C -1.727 174.119 175.900 -0.090 0.000 1.170 227 Y CA -1.033 57.030 58.100 -0.062 0.000 1.078 227 Y CB 1.060 39.492 38.460 -0.046 0.000 1.341 227 Y HN 0.256 nan 8.280 nan 0.000 0.459 228 K N 3.032 123.482 120.400 0.083 0.000 2.358 228 K HA 0.733 5.046 4.320 -0.011 0.000 0.260 228 K C -1.817 174.766 176.600 -0.028 0.000 0.956 228 K CA -0.813 55.460 56.287 -0.023 0.000 0.834 228 K CB 1.745 34.231 32.500 -0.024 0.000 1.102 228 K HN 0.721 nan 8.250 nan 0.000 0.431 229 V N 3.250 123.126 119.914 -0.063 0.000 2.427 229 V HA 0.303 4.416 4.120 -0.011 0.000 0.286 229 V C -0.235 175.750 176.094 -0.180 0.000 1.034 229 V CA -0.468 61.748 62.300 -0.141 0.000 0.893 229 V CB 1.802 33.579 31.823 -0.077 0.000 0.982 229 V HN 0.791 nan 8.190 nan 0.000 0.452 230 T N 3.601 117.992 114.554 -0.272 0.000 2.791 230 T HA 0.442 4.785 4.350 -0.011 0.000 0.288 230 T C -0.286 174.308 174.700 -0.177 0.000 0.999 230 T CA -0.440 61.546 62.100 -0.191 0.000 0.952 230 T CB 0.983 69.752 68.868 -0.164 0.000 0.938 230 T HN 0.786 nan 8.240 nan 0.000 0.444 231 S N 4.688 120.312 115.700 -0.127 0.000 2.664 231 S HA 0.643 5.106 4.470 -0.011 0.000 0.262 231 S C -0.308 174.347 174.600 0.092 0.000 1.229 231 S CA -0.855 57.294 58.200 -0.084 0.000 1.151 231 S CB 0.253 63.002 63.200 -0.750 0.000 1.054 231 S HN 0.486 nan 8.310 nan 0.000 0.483 232 L N 1.893 123.243 121.223 0.211 0.000 2.464 232 L HA 0.726 5.060 4.340 -0.011 0.000 0.264 232 L C -0.537 176.461 176.870 0.212 0.000 1.062 232 L CA -1.471 53.470 54.840 0.169 0.000 0.935 232 L CB 0.867 42.977 42.059 0.084 0.000 1.603 232 L HN 0.470 nan 8.230 nan 0.000 0.528 233 L N -0.235 121.065 121.223 0.128 0.000 2.371 233 L HA 0.363 4.697 4.340 -0.011 0.000 0.262 233 L C -0.339 176.487 176.870 -0.072 0.000 1.006 233 L CA -0.794 54.091 54.840 0.076 0.000 0.818 233 L CB 1.887 44.045 42.059 0.166 0.000 1.354 233 L HN 0.550 nan 8.230 nan 0.000 0.415 234 E N 2.434 122.572 120.200 -0.104 0.000 2.413 234 E HA 0.004 4.347 4.350 -0.011 0.000 0.263 234 E C -0.571 175.737 176.600 -0.487 0.000 1.015 234 E CA -0.183 56.106 56.400 -0.186 0.000 0.916 234 E CB 0.889 30.530 29.700 -0.097 0.000 0.947 234 E HN 0.435 nan 8.360 nan 0.000 0.440 235 K N 2.829 122.936 120.400 -0.490 0.000 2.522 235 K HA 0.016 4.329 4.320 -0.011 0.000 0.194 235 K C 0.584 176.862 176.600 -0.538 0.000 1.026 235 K CA 0.317 56.142 56.287 -0.770 0.000 1.119 235 K CB 0.190 32.493 32.500 -0.329 0.000 0.856 235 K HN 0.530 nan 8.250 nan 0.000 0.513 236 E N -0.511 119.446 120.200 -0.405 0.000 2.110 236 E HA 0.045 4.388 4.350 -0.011 0.000 0.193 236 E C 1.353 177.696 176.600 -0.429 0.000 0.950 236 E CA 0.666 56.841 56.400 -0.375 0.000 0.840 236 E CB 0.126 29.595 29.700 -0.384 0.000 0.809 236 E HN 0.305 nan 8.360 nan 0.000 0.465 237 H N -1.404 117.675 119.070 0.014 0.000 3.046 237 H HA 0.188 4.737 4.556 -0.011 0.000 0.262 237 H C -0.330 175.164 175.328 0.278 0.000 1.044 237 H CA -0.030 56.102 56.048 0.141 0.000 1.209 237 H CB 0.510 30.315 29.762 0.072 0.000 1.507 237 H HN 0.120 nan 8.280 nan 0.000 0.507 238 Y N 1.391 121.757 120.300 0.110 0.000 3.078 238 Y HA -0.275 4.268 4.550 -0.011 0.000 0.202 238 Y C 1.096 177.052 175.900 0.093 0.000 1.322 238 Y CA 0.459 58.613 58.100 0.091 0.000 1.118 238 Y CB -1.328 37.182 38.460 0.084 0.000 1.343 238 Y HN 0.205 nan 8.280 nan 0.000 0.499 239 K N -0.391 120.111 120.400 0.171 0.000 2.548 239 K HA 0.111 4.424 4.320 -0.011 0.000 0.209 239 K C 0.405 177.026 176.600 0.035 0.000 1.420 239 K CA 0.005 56.356 56.287 0.106 0.000 0.985 239 K CB 0.855 33.408 32.500 0.088 0.000 1.249 239 K HN 0.417 nan 8.250 nan 0.000 0.557 240 E N 1.355 121.566 120.200 0.019 0.000 2.197 240 E HA 0.295 4.639 4.350 -0.011 0.000 0.281 240 E C -0.442 176.125 176.600 -0.055 0.000 0.995 240 E CA -0.467 55.913 56.400 -0.034 0.000 0.808 240 E CB 1.160 30.848 29.700 -0.021 0.000 1.093 240 E HN 0.166 nan 8.360 nan 0.000 0.394 241 G N 4.390 113.091 108.800 -0.166 0.000 2.432 241 G HA2 0.373 4.326 3.960 -0.011 0.000 0.257 241 G HA3 0.373 4.326 3.960 -0.011 0.000 0.257 241 G C -0.252 174.612 174.900 -0.060 0.000 1.238 241 G CA -0.482 44.486 45.100 -0.220 0.000 0.838 241 G HN 0.562 nan 8.290 nan 0.000 0.547 242 I N 1.458 122.100 120.570 0.120 0.000 2.339 242 I HA 0.290 4.453 4.170 -0.011 0.000 0.290 242 I C -1.037 175.271 176.117 0.319 0.000 0.994 242 I CA -0.573 60.821 61.300 0.156 0.000 1.191 242 I CB 1.663 39.716 38.000 0.089 0.000 1.343 242 I HN 0.353 nan 8.210 nan 0.000 0.458 243 F N 6.738 126.765 119.950 0.128 0.000 2.427 243 F HA 0.513 5.033 4.527 -0.011 0.000 0.348 243 F C -0.261 175.545 175.800 0.010 0.000 1.125 243 F CA -0.273 57.797 58.000 0.115 0.000 0.989 243 F CB 1.065 40.148 39.000 0.139 0.000 1.165 243 F HN 0.438 nan 8.300 nan 0.000 0.442 244 E N 5.056 124.806 120.200 -0.750 0.000 2.317 244 E HA 0.632 4.976 4.350 -0.011 0.000 0.270 244 E C -2.157 173.927 176.600 -0.859 0.000 0.885 244 E CA -1.112 54.898 56.400 -0.650 0.000 0.760 244 E CB 2.340 31.882 29.700 -0.263 0.000 1.227 244 E HN 0.654 nan 8.360 nan 0.000 0.434 245 L N 2.545 123.420 121.223 -0.580 0.000 2.470 245 L HA 0.435 4.768 4.340 -0.011 0.000 0.268 245 L C -1.655 175.202 176.870 -0.021 0.000 0.964 245 L CA -0.120 54.479 54.840 -0.402 0.000 0.839 245 L CB 1.910 43.591 42.059 -0.629 0.000 1.276 245 L HN 0.523 nan 8.230 nan 0.000 0.403 246 E N 4.058 124.267 120.200 0.015 0.000 2.187 246 E HA 0.635 4.978 4.350 -0.011 0.000 0.268 246 E C -1.375 175.309 176.600 0.140 0.000 0.896 246 E CA -0.892 55.560 56.400 0.088 0.000 0.766 246 E CB 2.727 32.444 29.700 0.029 0.000 1.142 246 E HN 0.371 nan 8.360 nan 0.000 0.408 247 V N 2.109 122.118 119.914 0.159 0.000 2.409 247 V HA 0.450 4.563 4.120 -0.011 0.000 0.291 247 V C -0.217 175.918 176.094 0.067 0.000 1.020 247 V CA -0.808 61.585 62.300 0.155 0.000 0.848 247 V CB 1.474 33.411 31.823 0.191 0.000 0.990 247 V HN 0.792 nan 8.190 nan 0.000 0.430 248 A N 5.182 128.030 122.820 0.046 0.000 2.302 248 A HA 0.662 4.975 4.320 -0.011 0.000 0.295 248 A C -0.339 177.197 177.584 -0.080 0.000 1.235 248 A CA -0.257 51.763 52.037 -0.028 0.000 0.876 248 A CB 0.520 19.495 19.000 -0.042 0.000 1.133 248 A HN 0.660 nan 8.150 nan 0.000 0.533 249 V N 3.438 123.282 119.914 -0.118 0.000 2.370 249 V HA 0.579 4.692 4.120 -0.011 0.000 0.279 249 V C 1.007 176.907 176.094 -0.324 0.000 1.029 249 V CA 0.145 62.326 62.300 -0.199 0.000 0.870 249 V CB 1.385 33.133 31.823 -0.125 0.000 0.984 249 V HN 1.066 nan 8.190 nan 0.000 0.451 250 G N 2.695 111.096 108.800 -0.665 0.000 2.461 250 G HA2 0.688 4.641 3.960 -0.011 0.000 0.329 250 G HA3 0.688 4.641 3.960 -0.011 0.000 0.329 250 G C 0.299 174.837 174.900 -0.604 0.000 1.170 250 G CA 0.244 44.881 45.100 -0.771 0.000 0.935 250 G HN 1.423 nan 8.290 nan 0.000 0.492 251 G N -1.126 107.546 108.800 -0.213 0.000 2.553 251 G HA2 0.288 4.242 3.960 -0.011 0.000 0.242 251 G HA3 0.288 4.242 3.960 -0.011 0.000 0.242 251 G C 0.164 175.046 174.900 -0.030 0.000 1.277 251 G CA 0.809 45.907 45.100 -0.004 0.000 0.910 251 G HN 2.012 nan 8.290 nan 0.000 0.576 257 S N 1.193 116.894 115.700 0.001 0.000 2.565 257 S HA 0.799 5.262 4.470 -0.011 0.000 0.274 257 S C -0.849 173.754 174.600 0.005 0.000 1.144 257 S CA -0.669 57.535 58.200 0.006 0.000 0.849 257 S CB 1.511 64.714 63.200 0.006 0.000 1.103 257 S HN 1.264 nan 8.310 nan 0.000 0.455 258 S N 0.949 116.658 115.700 0.015 0.000 2.568 258 S HA 0.820 5.283 4.470 -0.011 0.000 0.302 258 S C -0.793 173.834 174.600 0.046 0.000 1.082 258 S CA -0.776 57.438 58.200 0.024 0.000 1.009 258 S CB 1.300 64.516 63.200 0.026 0.000 1.069 258 S HN 1.210 nan 8.310 nan 0.000 0.500 259 I N 1.853 122.467 120.570 0.073 0.000 2.404 259 I HA 0.799 4.962 4.170 -0.011 0.000 0.293 259 I C -0.434 175.827 176.117 0.240 0.000 0.992 259 I CA -0.531 60.851 61.300 0.136 0.000 1.149 259 I CB 1.146 39.236 38.000 0.151 0.000 1.315 259 I HN 1.054 nan 8.210 nan 0.000 0.446 260 A N 6.691 129.614 122.820 0.172 0.000 2.449 260 A HA 0.748 5.061 4.320 -0.011 0.000 0.302 260 A C -1.700 175.898 177.584 0.024 0.000 1.048 260 A CA -0.500 51.592 52.037 0.091 0.000 0.708 260 A CB 0.975 19.982 19.000 0.013 0.000 1.274 260 A HN 0.793 nan 8.150 nan 0.000 0.410 261 Y N -0.691 119.510 120.300 -0.165 0.000 2.524 261 Y HA 0.888 5.431 4.550 -0.011 0.000 0.344 261 Y C -0.485 175.316 175.900 -0.165 0.000 1.012 261 Y CA -1.129 56.843 58.100 -0.213 0.000 1.068 261 Y CB 1.716 39.962 38.460 -0.357 0.000 1.249 261 Y HN 0.424 nan 8.280 nan 0.000 0.468 262 T N 4.786 119.393 114.554 0.089 0.000 2.937 262 T HA 0.381 4.724 4.350 -0.011 0.000 0.297 262 T C -1.593 173.145 174.700 0.062 0.000 0.991 262 T CA -0.443 61.672 62.100 0.025 0.000 0.990 262 T CB 1.221 70.068 68.868 -0.034 0.000 0.991 262 T HN 0.750 nan 8.240 nan 0.000 0.440 263 L N 4.188 125.424 121.223 0.022 0.000 2.275 263 L HA 0.593 4.926 4.340 -0.011 0.000 0.288 263 L C -0.462 176.418 176.870 0.016 0.000 1.046 263 L CA 0.073 54.871 54.840 -0.071 0.000 0.805 263 L CB 0.288 42.145 42.059 -0.336 0.000 1.193 263 L HN 0.504 nan 8.230 nan 0.000 0.426 264 K N 2.853 123.303 120.400 0.084 0.000 2.318 264 K HA 0.482 4.795 4.320 -0.011 0.000 0.249 264 K C -1.056 175.648 176.600 0.172 0.000 0.942 264 K CA -0.905 55.442 56.287 0.101 0.000 0.808 264 K CB 1.653 34.176 32.500 0.037 0.000 1.189 264 K HN 0.686 nan 8.250 nan 0.000 0.428 265 D N 0.351 120.817 120.400 0.110 0.000 2.478 265 D HA 0.193 4.826 4.640 -0.011 0.000 0.269 265 D C 0.829 177.054 176.300 -0.125 0.000 1.232 265 D CA -0.623 53.327 54.000 -0.084 0.000 1.059 265 D CB 0.500 41.260 40.800 -0.067 0.000 1.104 265 D HN 0.415 nan 8.370 nan 0.000 0.566 266 A N -0.508 122.190 122.820 -0.204 0.000 2.131 266 A HA -0.077 4.236 4.320 -0.011 0.000 0.220 266 A C 1.639 179.178 177.584 -0.075 0.000 1.158 266 A CA 1.120 53.078 52.037 -0.131 0.000 0.665 266 A CB -0.692 18.227 19.000 -0.136 0.000 0.795 266 A HN 0.399 nan 8.150 nan 0.000 0.460 267 S N -0.275 115.386 115.700 -0.064 0.000 2.552 267 S HA 0.235 4.698 4.470 -0.011 0.000 0.246 267 S C 0.348 174.934 174.600 -0.024 0.000 1.019 267 S CA 0.289 58.466 58.200 -0.038 0.000 1.045 267 S CB -0.144 63.036 63.200 -0.034 0.000 0.784 267 S HN 0.601 nan 8.310 nan 0.000 0.453 268 D N 2.006 122.392 120.400 -0.023 0.000 3.068 268 D HA -0.223 4.410 4.640 -0.011 0.000 0.219 268 D C 0.209 176.507 176.300 -0.003 0.000 1.175 268 D CA 1.325 55.319 54.000 -0.011 0.000 0.942 268 D CB -0.832 39.962 40.800 -0.010 0.000 1.127 268 D HN 0.627 nan 8.370 nan 0.000 0.404 269 K N 0.003 120.402 120.400 -0.001 0.000 2.322 269 K HA 0.321 4.635 4.320 -0.011 0.000 0.283 269 K C -0.456 176.155 176.600 0.018 0.000 1.042 269 K CA -0.255 56.035 56.287 0.005 0.000 0.958 269 K CB 0.845 33.347 32.500 0.003 0.000 0.984 269 K HN -0.096 nan 8.250 nan 0.000 0.473 270 T N 3.673 118.230 114.554 0.006 0.000 2.853 270 T HA 0.073 4.416 4.350 -0.011 0.000 0.298 270 T C 0.982 175.682 174.700 0.000 0.000 0.978 270 T CA -0.116 61.984 62.100 -0.000 0.000 1.152 270 T CB 0.804 69.659 68.868 -0.020 0.000 0.914 270 T HN 0.598 nan 8.240 nan 0.000 0.539 271 V N 1.707 121.621 119.914 -0.000 0.000 3.539 271 V HA 0.540 4.653 4.120 -0.011 0.000 0.262 271 V C 0.151 176.207 176.094 -0.064 0.000 1.381 271 V CA 0.132 62.422 62.300 -0.016 0.000 1.060 271 V CB -0.109 31.730 31.823 0.026 0.000 0.842 271 V HN 0.623 nan 8.190 nan 0.000 0.445 272 L N 1.350 122.525 121.223 -0.080 0.000 2.415 272 L HA 0.788 5.121 4.340 -0.011 0.000 0.256 272 L C -1.391 175.454 176.870 -0.041 0.000 1.010 272 L CA -0.363 54.442 54.840 -0.059 0.000 0.826 272 L CB 2.558 44.538 42.059 -0.132 0.000 1.405 272 L HN 0.575 nan 8.230 nan 0.000 0.410 273 E N 0.765 120.893 120.200 -0.119 0.000 2.478 273 E HA 0.589 4.933 4.350 -0.011 0.000 0.293 273 E C -1.772 174.409 176.600 -0.698 0.000 1.011 273 E CA -0.763 55.337 56.400 -0.498 0.000 0.834 273 E CB 1.890 31.423 29.700 -0.278 0.000 1.226 273 E HN 0.641 nan 8.360 nan 0.000 0.419 274 G N 0.563 108.541 108.800 -1.370 0.000 2.798 274 G HA2 0.714 4.668 3.960 -0.011 0.000 0.286 274 G HA3 0.714 4.668 3.960 -0.011 0.000 0.286 274 G C -1.295 173.441 174.900 -0.273 0.000 1.389 274 G CA -0.631 44.062 45.100 -0.679 0.000 0.894 274 G HN 0.464 nan 8.290 nan 0.000 0.488 275 S N -1.381 114.444 115.700 0.207 0.000 2.570 275 S HA 0.643 5.107 4.470 -0.011 0.000 0.286 275 S C -1.142 173.569 174.600 0.185 0.000 1.143 275 S CA -0.679 57.628 58.200 0.179 0.000 0.921 275 S CB 1.804 65.027 63.200 0.038 0.000 1.108 275 S HN 0.937 nan 8.310 nan 0.000 0.456 276 R N 1.675 122.241 120.500 0.109 0.000 2.771 276 R HA 0.808 5.142 4.340 -0.011 0.000 0.274 276 R C -0.433 175.857 176.300 -0.017 0.000 0.987 276 R CA -0.359 55.720 56.100 -0.035 0.000 0.908 276 R CB 0.998 31.155 30.300 -0.238 0.000 1.213 276 R HN 0.647 nan 8.270 nan 0.000 0.468 286 L N 3.377 124.562 121.223 -0.062 0.000 2.440 286 L HA 0.501 4.834 4.340 -0.011 0.000 0.261 286 L C -1.636 175.195 176.870 -0.064 0.000 1.382 286 L CA -0.588 54.222 54.840 -0.050 0.000 0.871 286 L CB 0.422 42.458 42.059 -0.039 0.000 1.052 286 L HN 0.456 nan 8.230 nan 0.000 0.509 287 I N 3.254 123.776 120.570 -0.080 0.000 2.517 287 I HA 0.164 4.327 4.170 -0.011 0.000 0.285 287 I C 0.413 176.442 176.117 -0.146 0.000 1.106 287 I CA -0.048 61.156 61.300 -0.160 0.000 1.402 287 I CB 0.993 38.846 38.000 -0.246 0.000 1.399 287 I HN 0.097 nan 8.210 nan 0.000 0.535 288 V N 8.342 128.158 119.914 -0.164 0.000 2.333 288 V HA 0.299 4.412 4.120 -0.011 0.000 0.274 288 V C 0.334 176.361 176.094 -0.112 0.000 1.028 288 V CA -0.518 61.733 62.300 -0.081 0.000 0.851 288 V CB 0.343 32.135 31.823 -0.052 0.000 1.000 288 V HN 0.356 nan 8.190 nan 0.000 0.456 289 F N 1.881 121.840 119.950 0.014 0.000 2.390 289 F HA 0.272 4.793 4.527 -0.011 0.000 0.307 289 F C 1.130 176.958 175.800 0.047 0.000 1.227 289 F CA -0.179 57.865 58.000 0.075 0.000 1.179 289 F CB 0.399 39.508 39.000 0.181 0.000 1.280 289 F HN 0.389 nan 8.300 nan 0.000 0.548 290 D N 1.268 121.873 120.400 0.341 0.000 2.390 290 D HA -0.012 4.621 4.640 -0.011 0.000 0.249 290 D C 0.086 176.492 176.300 0.177 0.000 1.144 290 D CA 0.066 54.189 54.000 0.204 0.000 0.880 290 D CB 0.456 41.378 40.800 0.204 0.000 1.182 290 D HN 0.334 nan 8.370 nan 0.000 0.451 291 E N 2.088 122.347 120.200 0.098 0.000 2.502 291 E HA -0.077 4.266 4.350 -0.011 0.000 0.261 291 E C -0.227 176.445 176.600 0.119 0.000 0.974 291 E CA 0.660 57.104 56.400 0.073 0.000 0.936 291 E CB 0.556 30.281 29.700 0.042 0.000 0.926 291 E HN 0.358 nan 8.360 nan 0.000 0.459 292 Q N 2.581 122.474 119.800 0.154 0.000 2.501 292 Q HA 0.482 4.815 4.340 -0.011 0.000 0.288 292 Q C -0.584 175.496 176.000 0.132 0.000 1.051 292 Q CA -0.843 55.062 55.803 0.171 0.000 0.788 292 Q CB 2.213 31.112 28.738 0.269 0.000 1.469 292 Q HN 0.373 nan 8.270 nan 0.000 0.416 293 R N 1.211 121.749 120.500 0.062 0.000 2.538 293 R HA 0.530 4.864 4.340 -0.011 0.000 0.292 293 R C -0.954 175.305 176.300 -0.068 0.000 1.008 293 R CA -0.551 55.550 56.100 0.002 0.000 0.896 293 R CB 1.420 31.721 30.300 0.001 0.000 1.187 293 R HN 0.515 nan 8.270 nan 0.000 0.440 294 L N 5.126 126.250 121.223 -0.166 0.000 2.277 294 L HA 0.399 4.733 4.340 -0.011 0.000 0.284 294 L C -2.094 174.668 176.870 -0.179 0.000 1.028 294 L CA -1.981 52.719 54.840 -0.232 0.000 0.835 294 L CB 1.838 43.613 42.059 -0.474 0.000 1.215 294 L HN 0.195 nan 8.230 nan 0.000 0.425 295 P HA 0.112 nan 4.420 nan 0.000 0.278 295 P C -0.581 176.676 177.300 -0.072 0.000 1.238 295 P CA -0.034 63.021 63.100 -0.075 0.000 0.794 295 P CB 0.753 32.423 31.700 -0.050 0.000 0.955 296 D N -1.579 118.791 120.400 -0.051 0.000 2.708 296 D HA -0.141 4.493 4.640 -0.011 0.000 0.236 296 D C 0.292 176.572 176.300 -0.033 0.000 1.146 296 D CA 0.556 54.537 54.000 -0.032 0.000 0.662 296 D CB -1.511 39.274 40.800 -0.026 0.000 1.059 296 D HN 0.176 nan 8.370 nan 0.000 0.428 297 V N -0.022 119.848 119.914 -0.072 0.000 3.096 297 V HA 0.070 4.183 4.120 -0.011 0.000 0.306 297 V C 0.884 177.012 176.094 0.057 0.000 1.088 297 V CA -0.084 62.169 62.300 -0.078 0.000 1.129 297 V CB 0.813 32.426 31.823 -0.351 0.000 1.014 297 V HN 0.121 nan 8.190 nan 0.000 0.486 298 R N 5.192 125.814 120.500 0.204 0.000 2.316 298 R HA 0.379 4.712 4.340 -0.011 0.000 0.314 298 R C -0.243 176.230 176.300 0.288 0.000 1.069 298 R CA -0.114 56.099 56.100 0.188 0.000 0.959 298 R CB 0.474 30.844 30.300 0.117 0.000 0.987 298 R HN 0.654 nan 8.270 nan 0.000 0.446 299 R N 1.986 122.596 120.500 0.182 0.000 2.536 299 R HA 0.230 4.564 4.340 -0.011 0.000 0.279 299 R C -0.811 175.607 176.300 0.196 0.000 1.001 299 R CA -0.721 55.509 56.100 0.216 0.000 1.027 299 R CB 1.164 31.530 30.300 0.109 0.000 1.096 299 R HN 0.530 nan 8.270 nan 0.000 0.502 300 W N 3.129 124.471 121.300 0.070 0.000 2.469 300 W HA 0.254 4.907 4.660 -0.012 0.000 0.320 300 W C -0.674 175.808 176.519 -0.062 0.000 1.086 300 W CA 0.082 57.446 57.345 0.031 0.000 1.211 300 W CB 0.914 30.413 29.460 0.064 0.000 1.298 300 W HN 0.820 nan 8.180 nan 0.000 0.525 301 N N 2.422 120.590 118.700 -0.888 0.000 3.179 301 N HA 0.471 5.205 4.740 -0.011 0.000 0.250 301 N C -0.104 174.644 175.510 -1.270 0.000 1.507 301 N CA -0.301 52.211 53.050 -0.896 0.000 0.883 301 N CB 0.573 38.657 38.487 -0.671 0.000 1.435 301 N HN 0.316 nan 8.380 nan 0.000 0.532 302 A N -0.570 121.763 122.820 -0.811 0.000 2.019 302 A HA -0.120 4.194 4.320 -0.011 0.000 0.219 302 A C 1.393 178.696 177.584 -0.467 0.000 1.164 302 A CA 1.631 53.203 52.037 -0.775 0.000 0.644 302 A CB -0.794 17.659 19.000 -0.913 0.000 0.805 302 A HN 0.755 nan 8.150 nan 0.000 0.449 303 E N -1.685 118.307 120.200 -0.347 0.000 2.216 303 E HA 0.041 4.384 4.350 -0.011 0.000 0.192 303 E C -0.237 175.948 176.600 -0.692 0.000 0.973 303 E CA 0.461 56.619 56.400 -0.404 0.000 0.851 303 E CB 0.132 29.648 29.700 -0.306 0.000 0.804 303 E HN 0.820 nan 8.360 nan 0.000 0.477 304 H N 0.593 119.510 119.070 -0.255 0.000 2.448 304 H HA 0.151 4.701 4.556 -0.011 0.000 0.237 304 H C -2.356 172.734 175.328 -0.397 0.000 1.391 304 H CA -2.023 53.877 56.048 -0.247 0.000 1.477 304 H CB 0.859 30.522 29.762 -0.165 0.000 1.520 304 H HN -0.008 nan 8.280 nan 0.000 0.502 305 P HA -0.035 nan 4.420 nan 0.000 0.231 305 P C -0.397 176.861 177.300 -0.069 0.000 1.756 305 P CA -0.105 62.647 63.100 -0.581 0.000 0.990 305 P CB 0.097 31.651 31.700 -0.244 0.000 1.973 306 E N 1.737 121.939 120.200 0.003 0.000 2.366 306 E HA 0.166 4.509 4.350 -0.011 0.000 0.266 306 E C 0.297 177.056 176.600 0.265 0.000 1.015 306 E CA 0.102 56.566 56.400 0.107 0.000 0.906 306 E CB 0.891 30.640 29.700 0.082 0.000 0.979 306 E HN 0.435 nan 8.360 nan 0.000 0.443 307 L N 2.910 124.197 121.223 0.105 0.000 2.323 307 L HA 0.481 4.814 4.340 -0.011 0.000 0.265 307 L C -0.581 176.247 176.870 -0.071 0.000 1.012 307 L CA -1.005 53.913 54.840 0.130 0.000 0.820 307 L CB 1.164 43.287 42.059 0.106 0.000 1.334 307 L HN 0.461 nan 8.230 nan 0.000 0.427 308 Y N -0.849 119.493 120.300 0.070 0.000 2.587 308 Y HA 0.485 5.028 4.550 -0.011 0.000 0.337 308 Y C 0.032 175.929 175.900 -0.006 0.000 1.065 308 Y CA -0.701 57.427 58.100 0.046 0.000 1.126 308 Y CB 2.420 40.935 38.460 0.091 0.000 1.279 308 Y HN 0.336 nan 8.280 nan 0.000 0.489 309 T N 3.357 117.994 114.554 0.138 0.000 2.770 309 T HA 0.387 4.731 4.350 -0.011 0.000 0.283 309 T C -1.312 173.406 174.700 0.030 0.000 0.988 309 T CA -0.525 61.607 62.100 0.053 0.000 0.957 309 T CB 0.681 69.556 68.868 0.012 0.000 0.930 309 T HN 0.365 nan 8.240 nan 0.000 0.443 310 L N 5.536 126.760 121.223 0.001 0.000 2.272 310 L HA 0.605 4.938 4.340 -0.011 0.000 0.289 310 L C -1.255 175.585 176.870 -0.049 0.000 1.032 310 L CA -0.380 54.441 54.840 -0.031 0.000 0.810 310 L CB 0.251 42.287 42.059 -0.039 0.000 1.205 310 L HN 0.552 nan 8.230 nan 0.000 0.422 311 L N 6.262 127.466 121.223 -0.033 0.000 2.295 311 L HA 0.532 4.865 4.340 -0.011 0.000 0.285 311 L C -0.662 176.188 176.870 -0.034 0.000 1.035 311 L CA -0.460 54.356 54.840 -0.041 0.000 0.806 311 L CB 1.335 43.380 42.059 -0.024 0.000 1.214 311 L HN 0.517 nan 8.230 nan 0.000 0.426 312 L N 3.486 124.672 121.223 -0.063 0.000 2.333 312 L HA 0.544 4.877 4.340 -0.011 0.000 0.280 312 L C -0.549 176.327 176.870 0.011 0.000 1.004 312 L CA -0.452 54.357 54.840 -0.051 0.000 0.820 312 L CB 1.947 43.899 42.059 -0.179 0.000 1.247 312 L HN 0.650 nan 8.230 nan 0.000 0.416 313 E N 3.877 124.098 120.200 0.036 0.000 2.234 313 E HA 0.517 4.861 4.350 -0.011 0.000 0.266 313 E C -1.143 175.493 176.600 0.060 0.000 0.877 313 E CA -0.663 55.769 56.400 0.053 0.000 0.758 313 E CB 2.988 32.715 29.700 0.045 0.000 1.170 313 E HN 0.423 nan 8.360 nan 0.000 0.415 314 L N 3.002 124.261 121.223 0.061 0.000 2.375 314 L HA 0.426 4.759 4.340 -0.011 0.000 0.271 314 L C 0.012 176.910 176.870 0.047 0.000 1.107 314 L CA -0.306 54.566 54.840 0.052 0.000 0.806 314 L CB 0.637 42.723 42.059 0.045 0.000 1.146 314 L HN 0.337 nan 8.230 nan 0.000 0.447 315 K N 1.505 121.929 120.400 0.040 0.000 2.422 315 K HA 0.332 4.646 4.320 -0.011 0.000 0.251 315 K C -1.308 175.310 176.600 0.029 0.000 0.933 315 K CA -1.143 55.165 56.287 0.035 0.000 0.798 315 K CB 2.034 34.553 32.500 0.033 0.000 1.238 315 K HN 0.410 nan 8.250 nan 0.000 0.428 316 D N 1.023 121.441 120.400 0.030 0.000 2.429 316 D HA -0.078 4.556 4.640 -0.011 0.000 0.233 316 D C 1.176 177.488 176.300 0.020 0.000 1.202 316 D CA 0.388 54.403 54.000 0.025 0.000 0.879 316 D CB 0.816 41.633 40.800 0.028 0.000 1.212 316 D HN 0.675 nan 8.370 nan 0.000 0.465 317 A N 1.848 124.678 122.820 0.017 0.000 2.076 317 A HA -0.058 4.255 4.320 -0.011 0.000 0.220 317 A C 1.756 179.348 177.584 0.014 0.000 1.160 317 A CA 1.757 53.802 52.037 0.013 0.000 0.653 317 A CB -0.315 18.692 19.000 0.011 0.000 0.801 317 A HN 0.543 nan 8.150 nan 0.000 0.455 318 G N -2.020 106.790 108.800 0.018 0.000 3.448 318 G HA2 0.399 4.352 3.960 -0.011 0.000 0.261 318 G HA3 0.399 4.352 3.960 -0.011 0.000 0.261 318 G C 1.073 175.985 174.900 0.020 0.000 1.173 318 G CA 0.384 45.495 45.100 0.018 0.000 0.835 318 G HN 1.492 nan 8.290 nan 0.000 0.534 319 G N -0.038 108.774 108.800 0.020 0.000 2.166 319 G HA2 -0.316 3.638 3.960 -0.011 0.000 0.260 319 G HA3 -0.316 3.638 3.960 -0.011 0.000 0.260 319 G C 0.496 175.412 174.900 0.027 0.000 0.986 319 G CA 0.672 45.785 45.100 0.021 0.000 0.683 319 G HN 0.667 nan 8.290 nan 0.000 0.527 320 K N 0.234 120.653 120.400 0.031 0.000 2.185 320 K HA 0.501 4.814 4.320 -0.011 0.000 0.271 320 K C 0.566 177.193 176.600 0.045 0.000 1.013 320 K CA -0.662 55.648 56.287 0.039 0.000 0.943 320 K CB 0.961 33.486 32.500 0.042 0.000 0.998 320 K HN -0.031 nan 8.250 nan 0.000 0.468 321 V N 4.113 124.060 119.914 0.055 0.000 2.446 321 V HA -0.046 4.068 4.120 -0.011 0.000 0.276 321 V C 1.520 177.657 176.094 0.072 0.000 1.030 321 V CA 0.478 62.817 62.300 0.065 0.000 1.033 321 V CB 0.705 32.574 31.823 0.077 0.000 0.993 321 V HN 1.071 nan 8.190 nan 0.000 0.477 322 T N 1.493 116.082 114.554 0.058 0.000 3.039 322 T HA 0.164 4.508 4.350 -0.011 0.000 0.250 322 T C 0.473 175.192 174.700 0.032 0.000 1.052 322 T CA 0.265 62.392 62.100 0.044 0.000 1.125 322 T CB 0.378 69.264 68.868 0.029 0.000 0.908 322 T HN 0.615 nan 8.240 nan 0.000 0.473 323 E N -0.421 119.813 120.200 0.058 0.000 2.321 323 E HA 0.576 4.919 4.350 -0.011 0.000 0.278 323 E C -2.017 174.655 176.600 0.121 0.000 0.902 323 E CA -0.878 55.567 56.400 0.074 0.000 0.758 323 E CB 2.343 32.079 29.700 0.061 0.000 1.213 323 E HN 0.357 nan 8.360 nan 0.000 0.426 324 I N 3.606 124.285 120.570 0.182 0.000 2.436 324 I HA 0.457 4.621 4.170 -0.011 0.000 0.289 324 I C -0.957 175.323 176.117 0.272 0.000 1.010 324 I CA -0.161 61.250 61.300 0.184 0.000 1.098 324 I CB 1.904 39.999 38.000 0.159 0.000 1.266 324 I HN 0.592 nan 8.210 nan 0.000 0.434 325 T N 4.117 118.796 114.554 0.208 0.000 2.864 325 T HA 0.928 5.272 4.350 -0.011 0.000 0.289 325 T C -0.609 174.152 174.700 0.103 0.000 1.082 325 T CA -0.367 61.910 62.100 0.295 0.000 1.009 325 T CB 1.911 70.969 68.868 0.317 0.000 1.234 325 T HN 0.893 nan 8.240 nan 0.000 0.526 326 G N 0.029 108.917 108.800 0.146 0.000 2.451 326 G HA2 0.555 4.508 3.960 -0.011 0.000 0.292 326 G HA3 0.555 4.508 3.960 -0.011 0.000 0.292 326 G C -1.230 173.756 174.900 0.143 0.000 1.427 326 G CA 0.025 45.140 45.100 0.025 0.000 0.792 326 G HN 0.820 nan 8.290 nan 0.000 0.498 327 T N -0.699 113.910 114.554 0.091 0.000 2.802 327 T HA 0.558 4.901 4.350 -0.011 0.000 0.311 327 T C -1.286 173.449 174.700 0.058 0.000 1.405 327 T CA -0.724 61.448 62.100 0.120 0.000 1.016 327 T CB 1.555 70.511 68.868 0.146 0.000 1.352 327 T HN 0.452 nan 8.240 nan 0.000 0.498 328 K N 1.698 122.133 120.400 0.058 0.000 2.202 328 K HA 0.620 4.933 4.320 -0.011 0.000 0.264 328 K C -0.598 175.995 176.600 -0.012 0.000 1.010 328 K CA -0.406 55.901 56.287 0.033 0.000 0.940 328 K CB 1.260 33.782 32.500 0.037 0.000 0.983 328 K HN 0.394 nan 8.250 nan 0.000 0.475 329 V N 0.556 120.466 119.914 -0.008 0.000 2.588 329 V HA 0.549 4.663 4.120 -0.011 0.000 0.304 329 V C 0.089 176.125 176.094 -0.097 0.000 1.042 329 V CA -0.939 61.292 62.300 -0.114 0.000 0.877 329 V CB 2.112 33.836 31.823 -0.164 0.000 0.996 329 V HN 0.867 nan 8.190 nan 0.000 0.425 330 G N 3.247 111.901 108.800 -0.245 0.000 2.626 330 G HA2 0.637 4.590 3.960 -0.011 0.000 0.304 330 G HA3 0.637 4.590 3.960 -0.011 0.000 0.304 330 G C -1.120 173.703 174.900 -0.128 0.000 1.385 330 G CA -0.401 44.637 45.100 -0.104 0.000 0.957 330 G HN 0.405 nan 8.290 nan 0.000 0.504 331 F N 3.699 123.765 119.950 0.193 0.000 2.444 331 F HA 0.614 5.134 4.527 -0.011 0.000 0.360 331 F C 0.962 176.868 175.800 0.178 0.000 1.106 331 F CA -0.210 57.870 58.000 0.133 0.000 1.170 331 F CB 1.001 40.056 39.000 0.092 0.000 1.113 331 F HN 0.479 nan 8.300 nan 0.000 0.521 332 R N 1.483 122.143 120.500 0.266 0.000 2.753 332 R HA 0.427 4.760 4.340 -0.011 0.000 0.272 332 R C -1.754 174.650 176.300 0.173 0.000 1.034 332 R CA -0.697 55.547 56.100 0.240 0.000 0.869 332 R CB 0.900 31.396 30.300 0.327 0.000 1.264 332 R HN 0.596 nan 8.270 nan 0.000 0.481 333 T N -1.405 113.255 114.554 0.177 0.000 2.908 333 T HA 0.703 5.046 4.350 -0.011 0.000 0.290 333 T C -0.839 173.918 174.700 0.095 0.000 1.034 333 T CA -0.736 61.455 62.100 0.151 0.000 1.010 333 T CB 1.728 70.735 68.868 0.233 0.000 1.068 333 T HN 0.591 nan 8.240 nan 0.000 0.481 334 S N 1.117 116.863 115.700 0.077 0.000 2.614 334 S HA 0.636 5.100 4.470 -0.011 0.000 0.288 334 S C -1.260 173.398 174.600 0.096 0.000 1.137 334 S CA -0.628 57.603 58.200 0.052 0.000 0.992 334 S CB 0.540 63.801 63.200 0.102 0.000 1.026 334 S HN 1.042 nan 8.310 nan 0.000 0.486 335 E N 3.499 123.746 120.200 0.078 0.000 2.429 335 E HA 0.434 4.778 4.350 -0.011 0.000 0.280 335 E C -1.405 175.293 176.600 0.164 0.000 1.068 335 E CA -1.112 55.368 56.400 0.133 0.000 0.837 335 E CB 0.515 30.287 29.700 0.120 0.000 1.357 335 E HN 0.363 nan 8.360 nan 0.000 0.455 336 I N 1.707 122.382 120.570 0.176 0.000 2.310 336 I HA 0.290 4.454 4.170 -0.011 0.000 0.287 336 I C -0.265 175.934 176.117 0.138 0.000 1.073 336 I CA -0.373 61.032 61.300 0.175 0.000 1.216 336 I CB 0.142 38.250 38.000 0.180 0.000 1.415 336 I HN 0.534 nan 8.210 nan 0.000 0.480 337 K N 6.393 126.859 120.400 0.111 0.000 2.213 337 K HA 0.278 4.591 4.320 -0.011 0.000 0.270 337 K C 0.202 176.859 176.600 0.094 0.000 1.002 337 K CA -0.376 55.970 56.287 0.099 0.000 0.868 337 K CB 0.656 33.206 32.500 0.083 0.000 1.093 337 K HN 0.414 nan 8.250 nan 0.000 0.454 338 N N 3.251 122.008 118.700 0.096 0.000 2.707 338 N HA -0.228 4.506 4.740 -0.011 0.000 0.253 338 N C 0.520 176.091 175.510 0.101 0.000 0.998 338 N CA 1.412 54.515 53.050 0.089 0.000 0.751 338 N CB -1.287 37.242 38.487 0.071 0.000 0.920 338 N HN 1.088 nan 8.380 nan 0.000 0.539 339 G N -1.221 107.654 108.800 0.124 0.000 2.189 339 G HA2 -0.381 3.572 3.960 -0.011 0.000 0.267 339 G HA3 -0.381 3.572 3.960 -0.011 0.000 0.267 339 G C 0.156 175.132 174.900 0.127 0.000 0.975 339 G CA 0.896 46.074 45.100 0.130 0.000 0.644 339 G HN 0.621 nan 8.290 nan 0.000 0.537 340 R N -0.764 119.809 120.500 0.121 0.000 2.637 340 R HA 0.579 4.913 4.340 -0.011 0.000 0.291 340 R C -0.423 175.967 176.300 0.151 0.000 0.963 340 R CA -1.010 55.169 56.100 0.131 0.000 0.901 340 R CB 1.344 31.705 30.300 0.101 0.000 1.160 340 R HN 0.176 nan 8.270 nan 0.000 0.457 341 F N 2.882 122.851 119.950 0.032 0.000 2.506 341 F HA 0.233 4.753 4.527 -0.011 0.000 0.371 341 F C -0.710 175.095 175.800 0.009 0.000 1.078 341 F CA -0.660 57.348 58.000 0.013 0.000 1.195 341 F CB 0.391 39.382 39.000 -0.015 0.000 1.099 341 F HN 0.396 nan 8.300 nan 0.000 0.548 342 C N 7.564 126.538 119.300 -0.544 0.000 2.563 342 C HA 0.585 5.038 4.460 -0.011 0.000 0.314 342 C C -0.509 174.126 174.990 -0.591 0.000 1.199 342 C CA -1.066 57.651 59.018 -0.501 0.000 1.564 342 C CB 1.163 28.777 27.740 -0.210 0.000 2.173 342 C HN 0.551 nan 8.230 nan 0.000 0.485 343 I N 3.794 124.112 120.570 -0.419 0.000 2.339 343 I HA 0.304 4.467 4.170 -0.011 0.000 0.290 343 I C 0.039 176.160 176.117 0.007 0.000 0.994 343 I CA -0.008 61.179 61.300 -0.189 0.000 1.191 343 I CB 0.738 38.672 38.000 -0.109 0.000 1.343 343 I HN 0.770 nan 8.210 nan 0.000 0.458 344 N N 5.220 123.909 118.700 -0.018 0.000 2.727 344 N HA -0.203 4.530 4.740 -0.011 0.000 0.249 344 N C 1.105 176.322 175.510 -0.488 0.000 1.048 344 N CA 1.233 54.267 53.050 -0.028 0.000 0.714 344 N CB -1.311 37.179 38.487 0.006 0.000 0.959 344 N HN 1.097 nan 8.380 nan 0.000 0.544 345 G N -3.187 105.079 108.800 -0.891 0.000 2.184 345 G HA2 -0.319 3.634 3.960 -0.011 0.000 0.264 345 G HA3 -0.319 3.634 3.960 -0.011 0.000 0.264 345 G C -0.005 174.638 174.900 -0.428 0.000 0.975 345 G CA 0.419 44.830 45.100 -1.148 0.000 0.642 345 G HN 0.594 nan 8.290 nan 0.000 0.536 346 V N 3.158 122.933 119.914 -0.232 0.000 2.370 346 V HA 0.506 4.619 4.120 -0.011 0.000 0.283 346 V C -1.718 174.301 176.094 -0.124 0.000 1.023 346 V CA -1.676 60.521 62.300 -0.172 0.000 0.857 346 V CB 1.934 33.593 31.823 -0.273 0.000 0.985 346 V HN 0.183 nan 8.190 nan 0.000 0.443 347 P HA 0.194 nan 4.420 nan 0.000 0.271 347 P C -0.534 176.796 177.300 0.050 0.000 1.226 347 P CA 0.224 63.311 63.100 -0.021 0.000 0.765 347 P CB 1.408 33.138 31.700 0.049 0.000 0.835 348 V N 2.519 122.433 119.914 0.001 0.000 2.881 348 V HA 0.521 4.635 4.120 -0.011 0.000 0.316 348 V C -0.346 175.833 176.094 0.142 0.000 1.070 348 V CA -1.277 61.078 62.300 0.093 0.000 0.976 348 V CB 1.758 33.628 31.823 0.079 0.000 1.038 348 V HN 0.261 nan 8.190 nan 0.000 0.446 349 L N 2.956 124.263 121.223 0.140 0.000 2.290 349 L HA 0.418 4.751 4.340 -0.011 0.000 0.284 349 L C -0.244 176.707 176.870 0.134 0.000 1.078 349 L CA -0.633 54.271 54.840 0.106 0.000 0.815 349 L CB 1.677 43.809 42.059 0.123 0.000 1.162 349 L HN 0.557 nan 8.230 nan 0.000 0.435 350 V N 4.707 124.662 119.914 0.068 0.000 2.338 350 V HA 0.092 4.205 4.120 -0.011 0.000 0.255 350 V C 0.268 176.375 176.094 0.023 0.000 1.082 350 V CA -0.380 61.956 62.300 0.060 0.000 0.951 350 V CB 0.185 31.979 31.823 -0.049 0.000 1.102 350 V HN 0.635 nan 8.190 nan 0.000 0.489 351 K N 4.426 124.771 120.400 -0.092 0.000 2.244 351 K HA 0.609 4.922 4.320 -0.011 0.000 0.263 351 K C 0.489 176.904 176.600 -0.308 0.000 1.103 351 K CA -0.117 55.830 56.287 -0.568 0.000 0.966 351 K CB 1.453 33.180 32.500 -1.289 0.000 1.429 351 K HN 0.760 nan 8.250 nan 0.000 0.434 352 G N 0.458 109.294 108.800 0.060 0.000 3.022 352 G HA2 0.659 4.613 3.960 -0.011 0.000 0.284 352 G HA3 0.659 4.613 3.960 -0.011 0.000 0.284 352 G C -1.588 173.468 174.900 0.261 0.000 1.375 352 G CA -0.522 44.669 45.100 0.153 0.000 0.902 352 G HN 0.290 nan 8.290 nan 0.000 0.538 353 V N -0.349 119.653 119.914 0.147 0.000 3.049 353 V HA 0.528 4.642 4.120 -0.011 0.000 0.309 353 V C -1.236 174.875 176.094 0.028 0.000 1.148 353 V CA -1.188 61.181 62.300 0.114 0.000 0.990 353 V CB 2.239 34.138 31.823 0.127 0.000 1.039 353 V HN 0.721 nan 8.190 nan 0.000 0.430 354 N N 3.940 122.627 118.700 -0.021 0.000 2.514 354 N HA 0.364 5.098 4.740 -0.011 0.000 0.277 354 N C -0.704 174.645 175.510 -0.268 0.000 1.126 354 N CA -0.221 52.736 53.050 -0.155 0.000 0.978 354 N CB 1.380 39.745 38.487 -0.204 0.000 1.106 354 N HN 0.575 nan 8.380 nan 0.000 0.461 355 R N 2.059 122.377 120.500 -0.304 0.000 2.437 355 R HA 0.235 4.569 4.340 -0.011 0.000 0.310 355 R C -0.796 175.260 176.300 -0.406 0.000 0.955 355 R CA -0.555 55.361 56.100 -0.306 0.000 0.851 355 R CB 0.766 30.851 30.300 -0.360 0.000 1.161 355 R HN 0.570 nan 8.270 nan 0.000 0.446 356 H N 2.080 121.002 119.070 -0.247 0.000 2.488 356 H HA 0.192 4.743 4.556 -0.009 0.000 0.347 356 H C -0.561 174.764 175.328 -0.004 0.000 1.174 356 H CA -0.174 55.811 56.048 -0.104 0.000 1.307 356 H CB 1.604 31.354 29.762 -0.021 0.000 1.517 356 H HN 0.563 nan 8.280 nan 0.000 0.554 357 E N 1.088 121.502 120.200 0.357 0.000 2.200 357 E HA 0.227 4.570 4.350 -0.011 0.000 0.283 357 E C -0.887 175.876 176.600 0.271 0.000 1.015 357 E CA -0.165 56.373 56.400 0.230 0.000 0.819 357 E CB 0.901 30.756 29.700 0.258 0.000 1.081 357 E HN 0.469 nan 8.360 nan 0.000 0.397 358 H N 1.258 120.370 119.070 0.069 0.000 3.129 358 H HA 0.331 4.879 4.556 -0.012 0.000 0.342 358 H C -1.341 174.000 175.328 0.022 0.000 1.092 358 H CA -0.371 55.702 56.048 0.041 0.000 1.310 358 H CB 0.884 30.641 29.762 -0.008 0.000 1.932 358 H HN 0.508 nan 8.280 nan 0.000 0.507 359 S N 2.890 118.354 115.700 -0.394 0.000 2.790 359 S HA 0.171 4.634 4.470 -0.011 0.000 0.292 359 S C 0.121 174.595 174.600 -0.209 0.000 1.197 359 S CA -0.915 57.156 58.200 -0.215 0.000 0.851 359 S CB 1.563 64.728 63.200 -0.058 0.000 1.217 359 S HN 0.577 nan 8.310 nan 0.000 0.526 360 Q N 0.164 119.962 119.800 -0.003 0.000 2.437 360 Q HA 0.209 4.543 4.340 -0.011 0.000 0.210 360 Q C 1.521 177.504 176.000 -0.029 0.000 0.972 360 Q CA 0.811 56.685 55.803 0.119 0.000 0.903 360 Q CB -0.642 28.148 28.738 0.087 0.000 0.967 360 Q HN 0.646 nan 8.270 nan 0.000 0.486 361 L N -1.217 119.966 121.223 -0.067 0.000 2.558 361 L HA 0.153 4.487 4.340 -0.011 0.000 0.225 361 L C 1.170 177.967 176.870 -0.122 0.000 1.128 361 L CA 0.501 55.271 54.840 -0.116 0.000 0.868 361 L CB -0.091 41.919 42.059 -0.081 0.000 1.006 361 L HN 0.286 nan 8.230 nan 0.000 0.454 362 G N 0.737 109.498 108.800 -0.066 0.000 2.659 362 G HA2 -0.292 3.661 3.960 -0.011 0.000 0.214 362 G HA3 -0.292 3.661 3.960 -0.011 0.000 0.214 362 G C 0.336 175.218 174.900 -0.030 0.000 1.191 362 G CA 0.067 45.154 45.100 -0.021 0.000 1.141 362 G HN 0.099 nan 8.290 nan 0.000 0.581 363 R N 1.201 121.707 120.500 0.009 0.000 2.323 363 R HA 0.328 4.661 4.340 -0.011 0.000 0.198 363 R C 0.693 177.019 176.300 0.044 0.000 0.988 363 R CA 1.467 57.595 56.100 0.047 0.000 1.041 363 R CB -0.401 29.911 30.300 0.019 0.000 0.926 363 R HN 0.482 nan 8.270 nan 0.000 0.476 364 T N 0.242 114.801 114.554 0.009 0.000 2.771 364 T HA 0.406 4.749 4.350 -0.011 0.000 0.291 364 T C -0.957 173.752 174.700 0.014 0.000 0.954 364 T CA -0.463 61.650 62.100 0.023 0.000 1.045 364 T CB 1.837 70.701 68.868 -0.006 0.000 0.917 364 T HN -0.197 nan 8.240 nan 0.000 0.484 365 V N 3.727 123.659 119.914 0.029 0.000 2.531 365 V HA 0.450 4.563 4.120 -0.011 0.000 0.301 365 V C 0.491 176.565 176.094 -0.034 0.000 1.034 365 V CA -0.998 61.306 62.300 0.006 0.000 0.865 365 V CB 1.947 33.782 31.823 0.020 0.000 0.995 365 V HN 1.090 nan 8.190 nan 0.000 0.424 366 S N 4.465 120.146 115.700 -0.032 0.000 2.634 366 S HA 0.320 4.784 4.470 -0.011 0.000 0.261 366 S C 0.953 175.518 174.600 -0.058 0.000 1.271 366 S CA -0.501 57.661 58.200 -0.062 0.000 0.985 366 S CB 0.847 64.022 63.200 -0.042 0.000 0.968 366 S HN 0.660 nan 8.310 nan 0.000 0.568 367 K N 0.603 120.935 120.400 -0.114 0.000 2.097 367 K HA -0.119 4.194 4.320 -0.011 0.000 0.206 367 K C 1.964 178.620 176.600 0.094 0.000 1.049 367 K CA 1.730 57.987 56.287 -0.050 0.000 0.933 367 K CB -0.301 32.036 32.500 -0.272 0.000 0.717 367 K HN 0.635 nan 8.250 nan 0.000 0.442 368 E N 0.978 121.197 120.200 0.032 0.000 2.106 368 E HA -0.039 4.305 4.350 -0.011 0.000 0.192 368 E C 1.023 177.664 176.600 0.068 0.000 0.984 368 E CA 0.448 56.878 56.400 0.049 0.000 0.806 368 E CB -0.071 29.638 29.700 0.015 0.000 0.750 368 E HN 0.143 nan 8.360 nan 0.000 0.458 372 Q N 1.489 121.345 119.800 0.094 0.000 2.061 372 Q HA -0.235 4.098 4.340 -0.011 0.000 0.204 372 Q C 1.124 177.210 176.000 0.143 0.000 0.984 372 Q CA 2.315 58.170 55.803 0.088 0.000 0.846 372 Q CB 0.098 28.888 28.738 0.086 0.000 0.902 372 Q HN 0.129 nan 8.270 nan 0.000 0.421 373 D N 0.376 120.887 120.400 0.185 0.000 2.087 373 D HA -0.198 4.435 4.640 -0.011 0.000 0.192 373 D C 1.792 178.116 176.300 0.040 0.000 0.993 373 D CA 1.327 55.435 54.000 0.182 0.000 0.828 373 D CB -0.338 40.502 40.800 0.067 0.000 0.968 373 D HN 0.359 nan 8.370 nan 0.000 0.448 374 I N 0.525 121.183 120.570 0.146 0.000 2.454 374 I HA -0.235 3.928 4.170 -0.011 0.000 0.254 374 I C 2.401 178.461 176.117 -0.095 0.000 1.156 374 I CA 0.862 62.161 61.300 -0.002 0.000 1.433 374 I CB 0.074 38.022 38.000 -0.086 0.000 1.082 374 I HN -0.071 nan 8.210 nan 0.000 0.432 375 R N 0.954 121.407 120.500 -0.078 0.000 2.070 375 R HA -0.110 4.224 4.340 -0.011 0.000 0.233 375 R C 1.169 177.435 176.300 -0.057 0.000 1.137 375 R CA 0.946 56.968 56.100 -0.131 0.000 0.945 375 R CB -0.427 29.803 30.300 -0.116 0.000 0.845 375 R HN 0.276 nan 8.270 nan 0.000 0.430 379 Q N 0.537 120.356 119.800 0.031 0.000 2.439 379 Q HA -0.081 4.253 4.340 -0.011 0.000 0.211 379 Q C 0.146 176.199 176.000 0.089 0.000 0.978 379 Q CA 1.279 57.066 55.803 -0.026 0.000 0.897 379 Q CB -0.105 28.423 28.738 -0.350 0.000 0.956 379 Q HN 0.360 nan 8.270 nan 0.000 0.483 380 H N -0.862 118.358 119.070 0.250 0.000 2.567 380 H HA 0.202 4.751 4.556 -0.010 0.000 0.267 380 H C -0.518 174.933 175.328 0.205 0.000 1.148 380 H CA -0.406 55.793 56.048 0.252 0.000 1.031 380 H CB 0.537 30.445 29.762 0.242 0.000 1.691 380 H HN 0.127 nan 8.280 nan 0.000 0.588 381 N N 0.262 119.102 118.700 0.232 0.000 2.776 381 N HA -0.183 4.551 4.740 -0.011 0.000 0.250 381 N C -0.527 175.062 175.510 0.131 0.000 1.112 381 N CA 0.557 53.698 53.050 0.151 0.000 0.733 381 N CB -1.574 36.977 38.487 0.105 0.000 1.097 381 N HN 0.446 nan 8.380 nan 0.000 0.558 382 I N 1.605 122.271 120.570 0.161 0.000 2.474 382 I HA 0.026 4.190 4.170 -0.011 0.000 0.287 382 I C 1.508 177.601 176.117 -0.039 0.000 1.048 382 I CA -0.160 61.191 61.300 0.084 0.000 1.383 382 I CB 0.767 38.836 38.000 0.115 0.000 1.412 382 I HN 0.135 nan 8.210 nan 0.000 0.531 383 N N 2.920 121.567 118.700 -0.088 0.000 2.171 383 N HA 0.041 4.774 4.740 -0.011 0.000 0.212 383 N C 0.023 175.490 175.510 -0.072 0.000 1.184 383 N CA -0.130 52.856 53.050 -0.106 0.000 0.888 383 N CB 0.712 39.160 38.487 -0.066 0.000 1.038 383 N HN 0.608 nan 8.380 nan 0.000 0.517 384 T N -1.903 112.664 114.554 0.021 0.000 2.900 384 T HA 0.589 4.933 4.350 -0.011 0.000 0.303 384 T C -1.549 173.186 174.700 0.058 0.000 1.142 384 T CA -0.716 61.440 62.100 0.093 0.000 1.007 384 T CB 1.879 70.882 68.868 0.226 0.000 1.156 384 T HN -0.037 nan 8.240 nan 0.000 0.490 385 V N 3.428 123.384 119.914 0.069 0.000 2.588 385 V HA 0.797 4.910 4.120 -0.011 0.000 0.304 385 V C -0.465 175.670 176.094 0.067 0.000 1.042 385 V CA -0.998 61.343 62.300 0.067 0.000 0.877 385 V CB 1.702 33.621 31.823 0.160 0.000 0.996 385 V HN 1.157 nan 8.190 nan 0.000 0.425 386 R N 4.698 125.210 120.500 0.020 0.000 2.346 386 R HA 0.482 4.816 4.340 -0.011 0.000 0.311 386 R C -0.638 175.616 176.300 -0.077 0.000 0.983 386 R CA -0.559 55.542 56.100 0.002 0.000 0.880 386 R CB 0.922 31.225 30.300 0.005 0.000 1.100 386 R HN 0.773 nan 8.270 nan 0.000 0.453 387 N N 2.338 121.002 118.700 -0.059 0.000 2.421 387 N HA 0.007 4.740 4.740 -0.011 0.000 0.260 387 N C -0.795 174.491 175.510 -0.373 0.000 1.173 387 N CA 0.267 53.206 53.050 -0.183 0.000 0.960 387 N CB 1.325 39.791 38.487 -0.035 0.000 1.273 387 N HN 0.486 nan 8.380 nan 0.000 0.497 388 S N 3.120 118.442 115.700 -0.630 0.000 2.969 388 S HA -0.124 4.339 4.470 -0.011 0.000 0.305 388 S C 0.186 174.176 174.600 -1.016 0.000 0.893 388 S CA 0.119 57.714 58.200 -1.010 0.000 1.994 388 S CB -0.926 61.416 63.200 -1.430 0.000 1.372 388 S HN 0.550 nan 8.310 nan 0.000 0.669 389 H N -1.352 117.635 119.070 -0.138 0.000 3.237 389 H HA -0.199 4.350 4.556 -0.012 0.000 0.231 389 H C -0.423 175.003 175.328 0.163 0.000 1.148 389 H CA 1.569 57.654 56.048 0.062 0.000 1.155 389 H CB -2.898 26.992 29.762 0.213 0.000 1.210 389 H HN 0.831 nan 8.280 nan 0.000 0.317 390 Y N -4.143 116.301 120.300 0.239 0.000 2.604 390 Y HA 0.673 5.216 4.550 -0.011 0.000 0.331 390 Y C -3.119 172.925 175.900 0.240 0.000 1.158 390 Y CA -2.933 55.313 58.100 0.243 0.000 1.056 390 Y CB 0.531 39.137 38.460 0.243 0.000 1.330 390 Y HN -0.262 nan 8.280 nan 0.000 0.457 391 P HA 0.400 nan 4.420 nan 0.000 0.271 391 P C -0.607 177.008 177.300 0.524 0.000 1.233 391 P CA 0.166 63.555 63.100 0.481 0.000 0.789 391 P CB 0.777 32.738 31.700 0.435 0.000 0.951 392 A N 0.720 123.869 122.820 0.547 0.000 2.282 392 A HA 0.400 4.714 4.320 -0.011 0.000 0.324 392 A C -0.228 177.672 177.584 0.527 0.000 1.119 392 A CA -0.445 51.834 52.037 0.403 0.000 0.880 392 A CB 0.015 19.068 19.000 0.089 0.000 1.294 392 A HN 0.642 nan 8.150 nan 0.000 0.493 393 H N 0.434 119.711 119.070 0.344 0.000 3.094 393 H HA 0.016 4.565 4.556 -0.011 0.000 0.320 393 H C -1.695 173.930 175.328 0.494 0.000 1.000 393 H CA -0.707 55.564 56.048 0.372 0.000 1.413 393 H CB 0.853 30.791 29.762 0.293 0.000 1.405 393 H HN 0.178 nan 8.280 nan 0.000 0.586 394 P HA -0.211 nan 4.420 nan 0.000 0.217 394 P C 1.142 178.851 177.300 0.682 0.000 1.148 394 P CA 1.343 64.743 63.100 0.500 0.000 0.834 394 P CB -0.213 31.518 31.700 0.052 0.000 0.783 395 Y N -1.414 119.308 120.300 0.704 0.000 2.421 395 Y HA -0.124 4.420 4.550 -0.011 0.000 0.292 395 Y C 2.197 178.286 175.900 0.314 0.000 1.136 395 Y CA 0.807 59.160 58.100 0.422 0.000 1.255 395 Y CB -0.770 37.850 38.460 0.267 0.000 0.991 395 Y HN 0.070 nan 8.280 nan 0.000 0.552 396 W N -0.136 121.226 121.300 0.105 0.000 2.374 396 W HA -0.305 4.349 4.660 -0.009 0.000 0.288 396 W C 0.895 177.233 176.519 -0.303 0.000 1.218 396 W CA 1.706 58.950 57.345 -0.169 0.000 1.245 396 W CB -0.432 28.895 29.460 -0.222 0.000 1.126 396 W HN 0.210 nan 8.180 nan 0.000 0.545 397 Y N 0.725 120.908 120.300 -0.194 0.000 2.337 397 Y HA -0.149 4.394 4.550 -0.011 0.000 0.293 397 Y C 2.684 178.274 175.900 -0.517 0.000 1.123 397 Y CA 1.590 59.376 58.100 -0.523 0.000 1.201 397 Y CB -0.898 37.033 38.460 -0.882 0.000 1.011 397 Y HN 0.005 nan 8.280 nan 0.000 0.545 398 Q N -0.040 119.653 119.800 -0.179 0.000 2.172 398 Q HA -0.106 4.228 4.340 -0.011 0.000 0.200 398 Q C 2.091 177.899 176.000 -0.320 0.000 0.964 398 Q CA 1.116 56.833 55.803 -0.144 0.000 0.855 398 Q CB -0.132 28.596 28.738 -0.017 0.000 0.918 398 Q HN 0.512 nan 8.270 nan 0.000 0.444 399 L N -0.522 120.412 121.223 -0.483 0.000 2.027 399 L HA -0.219 4.114 4.340 -0.011 0.000 0.206 399 L C 2.430 179.069 176.870 -0.387 0.000 1.074 399 L CA 0.798 55.374 54.840 -0.439 0.000 0.745 399 L CB -0.500 41.296 42.059 -0.438 0.000 0.898 399 L HN 0.369 nan 8.230 nan 0.000 0.433 400 C N -0.182 118.798 119.300 -0.534 0.000 2.425 400 C HA -0.140 4.314 4.460 -0.011 0.000 0.277 400 C C 2.403 177.360 174.990 -0.055 0.000 1.280 400 C CA 0.371 59.166 59.018 -0.372 0.000 1.744 400 C CB -0.831 26.615 27.740 -0.490 0.000 1.989 400 C HN 0.543 nan 8.230 nan 0.000 0.491 401 D N 0.400 120.750 120.400 -0.083 0.000 2.144 401 D HA -0.127 4.506 4.640 -0.011 0.000 0.199 401 D C 2.274 178.665 176.300 0.151 0.000 0.984 401 D CA 1.191 55.222 54.000 0.053 0.000 0.834 401 D CB -0.415 40.355 40.800 -0.050 0.000 0.955 401 D HN 0.508 nan 8.370 nan 0.000 0.465 402 R N -0.661 119.760 120.500 -0.132 0.000 2.093 402 R HA -0.075 4.259 4.340 -0.011 0.000 0.224 402 R C 1.310 177.385 176.300 -0.375 0.000 1.101 402 R CA 1.140 57.036 56.100 -0.340 0.000 0.979 402 R CB -0.144 29.732 30.300 -0.707 0.000 0.877 402 R HN 0.169 nan 8.270 nan 0.000 0.441 403 Y N -1.082 119.185 120.300 -0.054 0.000 2.445 403 Y HA 0.436 4.979 4.550 -0.011 0.000 0.247 403 Y C 0.424 176.236 175.900 -0.145 0.000 1.129 403 Y CA -0.084 57.955 58.100 -0.101 0.000 1.251 403 Y CB 1.250 39.631 38.460 -0.133 0.000 1.176 403 Y HN 0.235 nan 8.280 nan 0.000 0.522 404 G N 1.383 110.185 108.800 0.003 0.000 2.894 404 G HA2 -0.135 3.818 3.960 -0.011 0.000 0.263 404 G HA3 -0.135 3.818 3.960 -0.011 0.000 0.263 404 G C -1.113 173.646 174.900 -0.236 0.000 1.013 404 G CA -0.590 44.395 45.100 -0.192 0.000 1.226 404 G HN 0.164 nan 8.290 nan 0.000 0.563 405 L N 1.049 122.190 121.223 -0.137 0.000 2.422 405 L HA 0.552 4.886 4.340 -0.011 0.000 0.264 405 L C -0.291 176.535 176.870 -0.073 0.000 0.984 405 L CA -1.430 53.273 54.840 -0.229 0.000 0.819 405 L CB 1.904 43.839 42.059 -0.207 0.000 1.330 405 L HN 0.359 nan 8.230 nan 0.000 0.410 406 Y N 1.664 122.057 120.300 0.155 0.000 2.319 406 Y HA 0.351 4.895 4.550 -0.011 0.000 0.328 406 Y C 0.294 176.239 175.900 0.076 0.000 1.133 406 Y CA -0.613 57.599 58.100 0.186 0.000 1.265 406 Y CB 0.946 39.541 38.460 0.226 0.000 1.218 406 Y HN 0.099 nan 8.280 nan 0.000 0.508 407 V N 5.391 125.424 119.914 0.200 0.000 2.459 407 V HA 0.369 4.482 4.120 -0.011 0.000 0.295 407 V C -0.095 176.047 176.094 0.081 0.000 1.029 407 V CA -0.934 61.428 62.300 0.104 0.000 0.874 407 V CB 1.524 33.381 31.823 0.057 0.000 0.985 407 V HN 0.577 nan 8.190 nan 0.000 0.438 408 I N 4.088 124.702 120.570 0.073 0.000 2.330 408 I HA 0.336 4.499 4.170 -0.011 0.000 0.286 408 I C -0.352 175.838 176.117 0.123 0.000 1.025 408 I CA -0.309 61.020 61.300 0.049 0.000 1.197 408 I CB 1.221 39.225 38.000 0.007 0.000 1.358 408 I HN 0.526 nan 8.210 nan 0.000 0.467 409 D N 5.815 126.330 120.400 0.192 0.000 2.253 409 D HA 0.351 4.985 4.640 -0.011 0.000 0.249 409 D C -0.673 175.860 176.300 0.388 0.000 1.049 409 D CA 0.004 54.216 54.000 0.353 0.000 0.929 409 D CB 1.470 42.590 40.800 0.535 0.000 1.176 409 D HN 0.548 nan 8.370 nan 0.000 0.437 410 E N 0.675 121.089 120.200 0.357 0.000 2.321 410 E HA 0.590 4.933 4.350 -0.011 0.000 0.278 410 E C -1.359 175.430 176.600 0.315 0.000 0.902 410 E CA -0.992 55.599 56.400 0.318 0.000 0.758 410 E CB 1.487 31.331 29.700 0.239 0.000 1.213 410 E HN 0.479 nan 8.360 nan 0.000 0.426 411 A N 3.257 126.255 122.820 0.296 0.000 2.445 411 A HA 0.117 4.430 4.320 -0.011 0.000 0.242 411 A C 0.241 177.992 177.584 0.278 0.000 1.075 411 A CA -0.176 52.012 52.037 0.252 0.000 0.777 411 A CB 0.180 19.299 19.000 0.199 0.000 1.013 411 A HN 0.612 nan 8.150 nan 0.000 0.493 412 N N 1.258 120.115 118.700 0.262 0.000 2.895 412 N HA 0.297 5.030 4.740 -0.011 0.000 0.277 412 N C -1.032 174.613 175.510 0.226 0.000 1.185 412 N CA 0.180 53.411 53.050 0.302 0.000 1.106 412 N CB -0.781 37.878 38.487 0.287 0.000 1.422 412 N HN 0.460 nan 8.380 nan 0.000 0.521 413 I N 1.208 121.922 120.570 0.240 0.000 2.560 413 I HA 0.242 4.405 4.170 -0.011 0.000 0.283 413 I C -0.788 175.466 176.117 0.229 0.000 1.115 413 I CA -0.603 60.803 61.300 0.176 0.000 1.066 413 I CB 1.707 39.790 38.000 0.138 0.000 1.221 413 I HN 0.288 nan 8.210 nan 0.000 0.450 414 E N 4.372 124.690 120.200 0.197 0.000 2.313 414 E HA 0.390 4.733 4.350 -0.011 0.000 0.280 414 E C -0.850 175.851 176.600 0.168 0.000 0.898 414 E CA -0.431 56.063 56.400 0.158 0.000 0.803 414 E CB 1.524 31.284 29.700 0.100 0.000 1.286 414 E HN 0.532 nan 8.360 nan 0.000 0.401 415 S N 3.100 118.898 115.700 0.162 0.000 2.661 415 S HA 0.101 4.564 4.470 -0.011 0.000 0.245 415 S C 0.994 175.697 174.600 0.172 0.000 1.117 415 S CA -0.392 57.927 58.200 0.199 0.000 1.091 415 S CB -0.298 62.977 63.200 0.125 0.000 0.887 415 S HN 0.732 nan 8.310 nan 0.000 0.491 416 H N 1.792 120.842 119.070 -0.032 0.000 2.407 416 H HA -0.131 4.418 4.556 -0.011 0.000 0.293 416 H C 1.565 176.801 175.328 -0.153 0.000 1.122 416 H CA 0.985 56.963 56.048 -0.117 0.000 1.232 416 H CB -0.275 29.375 29.762 -0.188 0.000 1.361 416 H HN 0.633 nan 8.280 nan 0.000 0.498 422 P HA 0.288 nan 4.420 nan 0.000 0.226 422 P C 1.446 178.744 177.300 -0.003 0.000 1.161 422 P CA 1.630 64.732 63.100 0.002 0.000 0.804 422 P CB 0.289 31.990 31.700 0.002 0.000 0.829 423 A N -0.506 122.309 122.820 -0.009 0.000 2.238 423 A HA 0.123 4.436 4.320 -0.011 0.000 0.208 423 A C 1.226 178.784 177.584 -0.043 0.000 1.177 423 A CA 0.052 52.075 52.037 -0.023 0.000 0.804 423 A CB -1.045 17.941 19.000 -0.023 0.000 0.823 423 A HN 0.164 nan 8.150 nan 0.000 0.482 424 S N -0.285 115.398 115.700 -0.027 0.000 2.558 424 S HA 0.147 4.610 4.470 -0.011 0.000 0.291 424 S C 1.208 175.753 174.600 -0.091 0.000 1.306 424 S CA -0.313 57.869 58.200 -0.030 0.000 1.056 424 S CB 0.046 63.256 63.200 0.018 0.000 0.836 424 S HN 0.435 nan 8.310 nan 0.000 0.504 425 L N 4.175 125.300 121.223 -0.163 0.000 2.376 425 L HA -0.030 4.303 4.340 -0.011 0.000 0.219 425 L C 2.580 179.349 176.870 -0.168 0.000 1.133 425 L CA 0.990 55.630 54.840 -0.334 0.000 0.816 425 L CB -0.716 40.971 42.059 -0.620 0.000 0.933 425 L HN 0.848 nan 8.230 nan 0.000 0.449 426 A N 0.051 122.855 122.820 -0.027 0.000 2.121 426 A HA -0.136 4.178 4.320 -0.011 0.000 0.218 426 A C 2.155 179.682 177.584 -0.095 0.000 1.154 426 A CA 1.259 53.271 52.037 -0.041 0.000 0.679 426 A CB -0.119 19.075 19.000 0.323 0.000 0.795 426 A HN 0.357 nan 8.150 nan 0.000 0.458 427 K N -0.801 119.567 120.400 -0.053 0.000 2.373 427 K HA 0.062 4.376 4.320 -0.011 0.000 0.200 427 K C -0.493 176.096 176.600 -0.019 0.000 1.054 427 K CA -0.147 56.124 56.287 -0.027 0.000 1.065 427 K CB 0.488 32.990 32.500 0.004 0.000 0.886 427 K HN 0.212 nan 8.250 nan 0.000 0.546 428 D N 1.884 122.275 120.400 -0.015 0.000 2.374 428 D HA 0.009 4.642 4.640 -0.011 0.000 0.240 428 D C 0.886 177.236 176.300 0.084 0.000 1.229 428 D CA 0.030 54.071 54.000 0.067 0.000 0.895 428 D CB 1.129 42.023 40.800 0.157 0.000 1.046 428 D HN 0.093 nan 8.370 nan 0.000 0.498 429 S N 1.335 117.059 115.700 0.040 0.000 2.537 429 S HA -0.169 4.295 4.470 -0.011 0.000 0.240 429 S C 1.603 176.211 174.600 0.013 0.000 0.981 429 S CA 1.059 59.265 58.200 0.011 0.000 0.948 429 S CB -0.511 62.696 63.200 0.011 0.000 0.759 429 S HN 0.523 nan 8.310 nan 0.000 0.531 430 T N -4.164 110.407 114.554 0.029 0.000 3.148 430 T HA 0.140 4.483 4.350 -0.011 0.000 0.253 430 T C 0.586 175.014 174.700 -0.452 0.000 1.134 430 T CA -0.219 61.783 62.100 -0.163 0.000 1.051 430 T CB -0.573 68.213 68.868 -0.137 0.000 0.959 430 T HN 0.616 nan 8.240 nan 0.000 0.525 431 W N 0.229 121.396 121.300 -0.222 0.000 3.127 431 W HA 0.536 5.189 4.660 -0.012 0.000 0.344 431 W C 1.457 177.943 176.519 -0.055 0.000 1.151 431 W CA -1.106 56.155 57.345 -0.141 0.000 1.765 431 W CB 0.030 29.485 29.460 -0.007 0.000 1.085 431 W HN 0.170 nan 8.180 nan 0.000 0.596 432 L N 2.416 123.652 121.223 0.022 0.000 2.012 432 L HA -0.058 4.275 4.340 -0.011 0.000 0.210 432 L C -0.652 176.214 176.870 -0.005 0.000 1.073 432 L CA 2.315 57.132 54.840 -0.039 0.000 0.748 432 L CB -1.575 40.441 42.059 -0.071 0.000 0.891 432 L HN -0.247 nan 8.230 nan 0.000 0.431 433 P HA -0.182 nan 4.420 nan 0.000 0.216 433 P C 1.558 178.836 177.300 -0.037 0.000 1.153 433 P CA 2.135 65.204 63.100 -0.051 0.000 0.858 433 P CB -0.255 31.422 31.700 -0.039 0.000 0.789 434 A N -0.663 122.153 122.820 -0.007 0.000 1.858 434 A HA -0.252 4.061 4.320 -0.011 0.000 0.216 434 A C 2.040 179.633 177.584 0.015 0.000 1.190 434 A CA 1.915 53.971 52.037 0.032 0.000 0.617 434 A CB -1.936 17.137 19.000 0.121 0.000 0.827 434 A HN 0.187 nan 8.150 nan 0.000 0.443 435 H N -1.158 117.890 119.070 -0.036 0.000 2.319 435 H HA -0.118 4.432 4.556 -0.011 0.000 0.299 435 H C 1.879 177.117 175.328 -0.150 0.000 1.092 435 H CA 1.974 57.951 56.048 -0.119 0.000 1.302 435 H CB -0.238 29.371 29.762 -0.255 0.000 1.373 435 H HN 0.464 nan 8.280 nan 0.000 0.497 436 I N 0.218 120.758 120.570 -0.051 0.000 2.439 436 I HA -0.157 4.006 4.170 -0.011 0.000 0.251 436 I C 1.815 177.771 176.117 -0.269 0.000 1.139 436 I CA 1.218 62.389 61.300 -0.214 0.000 1.438 436 I CB -0.123 37.712 38.000 -0.275 0.000 1.085 436 I HN 0.183 nan 8.210 nan 0.000 0.427 437 D N 0.271 120.569 120.400 -0.170 0.000 2.097 437 D HA -0.197 4.437 4.640 -0.011 0.000 0.197 437 D C 2.338 178.564 176.300 -0.124 0.000 0.984 437 D CA 1.456 55.363 54.000 -0.156 0.000 0.826 437 D CB 0.002 40.746 40.800 -0.093 0.000 0.973 437 D HN 0.210 nan 8.370 nan 0.000 0.460 438 R N -0.802 119.653 120.500 -0.075 0.000 2.120 438 R HA -0.023 4.310 4.340 -0.011 0.000 0.234 438 R C 2.189 178.473 176.300 -0.027 0.000 1.123 438 R CA 1.550 57.633 56.100 -0.028 0.000 0.975 438 R CB -0.185 30.116 30.300 0.002 0.000 0.866 438 R HN 0.187 nan 8.270 nan 0.000 0.446 439 T N -0.002 114.508 114.554 -0.073 0.000 2.809 439 T HA -0.006 4.338 4.350 -0.011 0.000 0.260 439 T C 1.688 176.335 174.700 -0.088 0.000 1.039 439 T CA 0.688 62.760 62.100 -0.047 0.000 1.141 439 T CB -0.032 68.817 68.868 -0.032 0.000 0.869 439 T HN 0.200 nan 8.240 nan 0.000 0.437 440 R N 0.864 121.183 120.500 -0.301 0.000 2.103 440 R HA -0.012 4.321 4.340 -0.011 0.000 0.242 440 R C 1.375 177.644 176.300 -0.051 0.000 1.142 440 R CA 1.075 57.016 56.100 -0.265 0.000 0.960 440 R CB -0.169 29.869 30.300 -0.437 0.000 0.858 440 R HN 0.342 nan 8.270 nan 0.000 0.439 444 E N 2.227 122.305 120.200 -0.204 0.000 2.051 444 E HA -0.175 4.168 4.350 -0.011 0.000 0.192 444 E C 1.981 178.356 176.600 -0.375 0.000 0.991 444 E CA 1.898 58.128 56.400 -0.284 0.000 0.799 444 E CB -0.415 29.205 29.700 -0.132 0.000 0.748 444 E HN 0.709 nan 8.360 nan 0.000 0.449 445 R N 0.226 120.531 120.500 -0.325 0.000 2.189 445 R HA 0.070 4.403 4.340 -0.011 0.000 0.223 445 R C 1.486 177.673 176.300 -0.188 0.000 1.092 445 R CA 1.366 57.259 56.100 -0.344 0.000 0.989 445 R CB -0.012 30.138 30.300 -0.251 0.000 0.876 445 R HN -0.091 nan 8.270 nan 0.000 0.457 446 S N 0.513 116.120 115.700 -0.153 0.000 2.632 446 S HA 0.063 4.527 4.470 -0.011 0.000 0.237 446 S C 0.941 175.555 174.600 0.022 0.000 1.037 446 S CA -0.082 58.115 58.200 -0.004 0.000 1.009 446 S CB 0.787 63.977 63.200 -0.017 0.000 0.974 446 S HN 0.466 nan 8.310 nan 0.000 0.544 447 K N 2.108 122.420 120.400 -0.147 0.000 2.374 447 K HA -0.112 4.202 4.320 -0.011 0.000 0.202 447 K C 0.596 177.091 176.600 -0.176 0.000 1.044 447 K CA 1.727 57.902 56.287 -0.187 0.000 0.933 447 K CB -0.335 31.772 32.500 -0.655 0.000 0.745 447 K HN 0.130 nan 8.250 nan 0.000 0.474 448 N N 0.142 118.668 118.700 -0.289 0.000 2.203 448 N HA 0.021 4.755 4.740 -0.011 0.000 0.207 448 N C -0.685 174.641 175.510 -0.307 0.000 1.130 448 N CA -0.025 52.856 53.050 -0.281 0.000 0.861 448 N CB 0.222 38.543 38.487 -0.277 0.000 1.005 448 N HN 0.266 nan 8.380 nan 0.000 0.507 449 H N 1.460 120.437 119.070 -0.155 0.000 2.742 449 H HA 0.126 4.675 4.556 -0.011 0.000 0.302 449 H C -1.209 173.946 175.328 -0.288 0.000 1.069 449 H CA -1.180 54.757 56.048 -0.184 0.000 1.446 449 H CB 1.528 31.226 29.762 -0.108 0.000 1.462 449 H HN 0.040 nan 8.280 nan 0.000 0.499 450 P HA -0.134 nan 4.420 nan 0.000 0.221 450 P C 1.454 178.299 177.300 -0.758 0.000 1.150 450 P CA 1.012 63.747 63.100 -0.608 0.000 0.800 450 P CB 0.298 31.411 31.700 -0.979 0.000 0.787 451 S N -0.714 114.599 115.700 -0.645 0.000 2.442 451 S HA -0.041 4.422 4.470 -0.011 0.000 0.236 451 S C 1.041 175.601 174.600 -0.067 0.000 1.007 451 S CA 0.367 58.363 58.200 -0.339 0.000 0.965 451 S CB -1.395 61.715 63.200 -0.150 0.000 0.773 451 S HN -0.064 nan 8.310 nan 0.000 0.504 452 V N 3.511 123.362 119.914 -0.105 0.000 2.405 452 V HA 0.217 4.330 4.120 -0.011 0.000 0.264 452 V C 1.265 177.226 176.094 -0.223 0.000 1.048 452 V CA 0.136 62.348 62.300 -0.146 0.000 0.966 452 V CB 0.887 32.555 31.823 -0.258 0.000 1.015 452 V HN 0.483 nan 8.190 nan 0.000 0.477 453 V N 3.820 123.666 119.914 -0.114 0.000 3.379 453 V HA 0.423 4.536 4.120 -0.011 0.000 0.249 453 V C 0.567 176.580 176.094 -0.135 0.000 1.184 453 V CA 0.517 62.787 62.300 -0.051 0.000 1.106 453 V CB 0.406 32.326 31.823 0.162 0.000 0.826 453 V HN 0.508 nan 8.190 nan 0.000 0.465 454 I N -0.009 120.435 120.570 -0.210 0.000 2.582 454 I HA 0.453 4.616 4.170 -0.011 0.000 0.292 454 I C -1.281 174.748 176.117 -0.147 0.000 1.066 454 I CA -0.912 60.287 61.300 -0.169 0.000 1.053 454 I CB 1.624 39.547 38.000 -0.129 0.000 1.241 454 I HN 0.274 nan 8.210 nan 0.000 0.421 455 W N 3.617 124.987 121.300 0.116 0.000 2.376 455 W HA 0.515 5.168 4.660 -0.012 0.000 0.322 455 W C 0.672 177.276 176.519 0.142 0.000 1.160 455 W CA -0.558 56.874 57.345 0.145 0.000 1.218 455 W CB 1.422 30.979 29.460 0.161 0.000 1.205 455 W HN 0.425 nan 8.180 nan 0.000 0.559 456 S N 2.569 118.529 115.700 0.432 0.000 2.503 456 S HA 0.426 4.889 4.470 -0.011 0.000 0.301 456 S C 0.381 175.182 174.600 0.335 0.000 1.087 456 S CA -0.714 57.681 58.200 0.324 0.000 1.042 456 S CB 0.933 64.284 63.200 0.252 0.000 1.043 456 S HN 0.591 nan 8.310 nan 0.000 0.489 457 L N 3.437 124.852 121.223 0.320 0.000 2.558 457 L HA 0.354 4.687 4.340 -0.011 0.000 0.225 457 L C 1.289 178.330 176.870 0.285 0.000 1.128 457 L CA 0.536 55.523 54.840 0.245 0.000 0.868 457 L CB -0.581 41.507 42.059 0.047 0.000 1.006 457 L HN 0.932 nan 8.230 nan 0.000 0.454 458 G N -0.481 108.524 108.800 0.342 0.000 2.339 458 G HA2 -0.119 3.834 3.960 -0.011 0.000 0.275 458 G HA3 -0.119 3.834 3.960 -0.011 0.000 0.275 458 G C -0.515 174.609 174.900 0.374 0.000 1.323 458 G CA 0.050 45.373 45.100 0.371 0.000 0.927 458 G HN 0.006 nan 8.290 nan 0.000 0.486 459 N N -1.332 117.521 118.700 0.255 0.000 3.411 459 N HA 0.172 4.905 4.740 -0.011 0.000 0.236 459 N C -0.049 175.359 175.510 -0.171 0.000 1.053 459 N CA 0.738 53.796 53.050 0.013 0.000 1.133 459 N CB 0.785 39.143 38.487 -0.215 0.000 1.460 459 N HN 0.407 nan 8.380 nan 0.000 0.724 460 E N 0.371 120.447 120.200 -0.206 0.000 3.406 460 E HA 0.457 4.800 4.350 -0.011 0.000 0.210 460 E C -1.071 175.431 176.600 -0.162 0.000 1.167 460 E CA -0.223 55.963 56.400 -0.356 0.000 1.132 460 E CB 1.345 30.584 29.700 -0.769 0.000 1.309 460 E HN 0.421 nan 8.360 nan 0.000 0.424 461 A N 1.241 124.074 122.820 0.022 0.000 2.545 461 A HA 0.543 4.856 4.320 -0.011 0.000 0.263 461 A C 0.889 178.630 177.584 0.262 0.000 1.202 461 A CA 0.210 52.376 52.037 0.216 0.000 0.959 461 A CB 0.464 19.747 19.000 0.472 0.000 1.124 461 A HN 0.516 nan 8.150 nan 0.000 0.543 462 G N 0.082 108.942 108.800 0.100 0.000 2.814 462 G HA2 -0.106 3.848 3.960 -0.011 0.000 0.677 462 G HA3 -0.106 3.848 3.960 -0.011 0.000 0.677 462 G C -0.647 174.379 174.900 0.211 0.000 1.429 462 G CA -0.121 45.040 45.100 0.102 0.000 0.868 462 G HN 0.676 nan 8.290 nan 0.000 0.553 463 N N 0.291 119.087 118.700 0.161 0.000 2.430 463 N HA 0.851 5.584 4.740 -0.011 0.000 0.298 463 N C 0.559 176.190 175.510 0.202 0.000 1.130 463 N CA 0.952 54.134 53.050 0.220 0.000 0.894 463 N CB 1.689 40.240 38.487 0.108 0.000 1.209 463 N HN 1.964 nan 8.380 nan 0.000 0.503 464 G N 0.717 109.644 108.800 0.212 0.000 2.323 464 G HA2 0.052 4.005 3.960 -0.011 0.000 0.291 464 G HA3 0.052 4.005 3.960 -0.011 0.000 0.291 464 G C 0.289 175.239 174.900 0.083 0.000 1.278 464 G CA -0.386 44.783 45.100 0.115 0.000 0.860 464 G HN 0.450 nan 8.290 nan 0.000 0.504 465 I N 0.791 121.380 120.570 0.031 0.000 2.264 465 I HA -0.112 4.051 4.170 -0.011 0.000 0.248 465 I C 2.266 178.350 176.117 -0.055 0.000 1.111 465 I CA 1.866 63.174 61.300 0.014 0.000 1.382 465 I CB -0.330 37.675 38.000 0.009 0.000 1.060 465 I HN 0.458 nan 8.210 nan 0.000 0.418 466 N N 0.224 118.807 118.700 -0.195 0.000 2.069 466 N HA -0.193 4.541 4.740 -0.011 0.000 0.191 466 N C 1.788 177.054 175.510 -0.407 0.000 1.031 466 N CA 1.686 54.475 53.050 -0.435 0.000 0.852 466 N CB -0.608 37.316 38.487 -0.937 0.000 1.018 466 N HN 0.363 nan 8.380 nan 0.000 0.423 467 F N 1.480 121.331 119.950 -0.166 0.000 2.502 467 F HA 0.052 4.572 4.527 -0.012 0.000 0.298 467 F C 2.173 177.945 175.800 -0.046 0.000 1.111 467 F CA 0.444 58.352 58.000 -0.153 0.000 1.445 467 F CB -0.201 38.602 39.000 -0.327 0.000 1.081 467 F HN 0.075 nan 8.300 nan 0.000 0.558 468 E N 0.055 120.330 120.200 0.125 0.000 2.107 468 E HA -0.121 4.222 4.350 -0.011 0.000 0.191 468 E C 2.258 178.990 176.600 0.220 0.000 0.982 468 E CA 0.730 57.230 56.400 0.166 0.000 0.809 468 E CB -0.034 29.786 29.700 0.199 0.000 0.756 468 E HN 0.338 nan 8.360 nan 0.000 0.459 469 R N 0.207 120.780 120.500 0.122 0.000 2.090 469 R HA -0.013 4.320 4.340 -0.011 0.000 0.228 469 R C 2.286 178.677 176.300 0.152 0.000 1.110 469 R CA 1.193 57.364 56.100 0.118 0.000 0.973 469 R CB -0.675 29.648 30.300 0.038 0.000 0.869 469 R HN 0.121 nan 8.270 nan 0.000 0.440 470 T N 1.224 115.842 114.554 0.106 0.000 2.674 470 T HA -0.204 4.140 4.350 -0.011 0.000 0.265 470 T C 1.601 176.445 174.700 0.241 0.000 1.039 470 T CA 1.550 63.740 62.100 0.151 0.000 1.150 470 T CB -0.464 68.455 68.868 0.084 0.000 0.864 470 T HN 0.285 nan 8.240 nan 0.000 0.427 471 Y N 2.288 122.663 120.300 0.124 0.000 2.097 471 Y HA -0.240 4.304 4.550 -0.011 0.000 0.282 471 Y C 2.172 178.149 175.900 0.128 0.000 1.152 471 Y CA 1.860 60.024 58.100 0.107 0.000 1.136 471 Y CB -0.455 38.022 38.460 0.028 0.000 0.975 471 Y HN 0.167 nan 8.280 nan 0.000 0.498 472 D N -0.533 120.037 120.400 0.284 0.000 2.103 472 D HA -0.271 4.362 4.640 -0.011 0.000 0.190 472 D C 1.784 178.100 176.300 0.027 0.000 0.997 472 D CA 1.771 55.881 54.000 0.183 0.000 0.833 472 D CB -1.214 39.734 40.800 0.248 0.000 0.961 472 D HN 0.628 nan 8.370 nan 0.000 0.447 473 W N 1.634 122.898 121.300 -0.060 0.000 2.317 473 W HA -0.166 4.487 4.660 -0.011 0.000 0.318 473 W C 2.220 178.612 176.519 -0.212 0.000 1.227 473 W CA 1.319 58.592 57.345 -0.121 0.000 1.269 473 W CB -0.648 28.743 29.460 -0.114 0.000 1.155 473 W HN -0.045 nan 8.180 nan 0.000 0.484 474 L N 0.871 121.935 121.223 -0.265 0.000 2.042 474 L HA -0.275 4.058 4.340 -0.011 0.000 0.210 474 L C 2.542 179.029 176.870 -0.638 0.000 1.076 474 L CA 1.572 56.037 54.840 -0.625 0.000 0.749 474 L CB -0.642 41.281 42.059 -0.227 0.000 0.893 474 L HN -0.091 nan 8.230 nan 0.000 0.432 475 K N -0.325 119.777 120.400 -0.496 0.000 2.211 475 K HA -0.112 4.202 4.320 -0.011 0.000 0.203 475 K C 2.215 178.611 176.600 -0.340 0.000 1.050 475 K CA 1.489 57.538 56.287 -0.396 0.000 0.945 475 K CB -0.413 31.838 32.500 -0.414 0.000 0.732 475 K HN 0.462 nan 8.250 nan 0.000 0.451 476 S N 0.375 115.823 115.700 -0.420 0.000 2.428 476 S HA -0.076 4.387 4.470 -0.011 0.000 0.230 476 S C 1.982 176.325 174.600 -0.429 0.000 1.014 476 S CA 1.014 59.000 58.200 -0.357 0.000 0.957 476 S CB -0.323 62.692 63.200 -0.309 0.000 0.784 476 S HN 0.109 nan 8.310 nan 0.000 0.499 477 V N -1.456 118.047 119.914 -0.686 0.000 3.431 477 V HA 0.453 4.567 4.120 -0.011 0.000 0.253 477 V C 0.408 176.259 176.094 -0.406 0.000 1.184 477 V CA 0.430 62.360 62.300 -0.617 0.000 1.104 477 V CB -0.398 30.837 31.823 -0.979 0.000 0.799 477 V HN 0.345 nan 8.190 nan 0.000 0.462 478 E N 1.129 121.100 120.200 -0.380 0.000 2.102 478 E HA 0.392 4.735 4.350 -0.011 0.000 0.263 478 E C 0.576 177.155 176.600 -0.034 0.000 0.894 478 E CA -0.365 55.990 56.400 -0.076 0.000 0.746 478 E CB 1.342 31.096 29.700 0.090 0.000 1.129 478 E HN 0.140 nan 8.360 nan 0.000 0.416 479 K N 3.188 123.589 120.400 0.002 0.000 2.361 479 K HA 0.221 4.534 4.320 -0.011 0.000 0.194 479 K C -0.055 176.572 176.600 0.044 0.000 1.032 479 K CA 0.116 56.406 56.287 0.005 0.000 1.048 479 K CB 0.499 32.993 32.500 -0.009 0.000 0.842 479 K HN 0.423 nan 8.250 nan 0.000 0.526 480 N N 1.018 119.759 118.700 0.069 0.000 2.291 480 N HA 0.106 4.840 4.740 -0.011 0.000 0.244 480 N C -0.580 174.972 175.510 0.070 0.000 1.216 480 N CA -0.005 53.086 53.050 0.067 0.000 0.879 480 N CB 1.298 39.815 38.487 0.050 0.000 1.167 480 N HN -0.005 nan 8.380 nan 0.000 0.515 481 R N 0.753 121.307 120.500 0.089 0.000 2.584 481 R HA 0.400 4.734 4.340 -0.011 0.000 0.276 481 R C -2.861 173.504 176.300 0.109 0.000 1.046 481 R CA -1.398 54.733 56.100 0.051 0.000 0.906 481 R CB 2.204 32.443 30.300 -0.101 0.000 1.215 481 R HN -0.108 nan 8.270 nan 0.000 0.449 482 P HA 0.067 nan 4.420 nan 0.000 0.270 482 P C -0.851 176.554 177.300 0.175 0.000 1.223 482 P CA -0.317 62.871 63.100 0.146 0.000 0.785 482 P CB 0.640 32.421 31.700 0.134 0.000 0.923 483 V N 2.535 122.584 119.914 0.225 0.000 2.483 483 V HA 0.329 4.442 4.120 -0.011 0.000 0.297 483 V C 0.215 176.489 176.094 0.300 0.000 1.027 483 V CA -0.461 62.013 62.300 0.290 0.000 0.855 483 V CB 1.104 33.070 31.823 0.238 0.000 0.995 483 V HN 0.585 nan 8.190 nan 0.000 0.424 484 Q N 3.858 123.802 119.800 0.240 0.000 2.297 484 Q HA 0.749 5.083 4.340 -0.011 0.000 0.269 484 Q C -1.807 174.336 176.000 0.237 0.000 1.051 484 Q CA -0.886 55.021 55.803 0.173 0.000 0.869 484 Q CB 2.846 31.618 28.738 0.057 0.000 1.346 484 Q HN 0.616 nan 8.270 nan 0.000 0.457 485 Y N 0.387 120.662 120.300 -0.042 0.000 2.323 485 Y HA 0.139 4.682 4.550 -0.011 0.000 0.322 485 Y C 0.185 175.968 175.900 -0.194 0.000 1.133 485 Y CA -0.957 57.071 58.100 -0.119 0.000 1.093 485 Y CB 1.871 40.230 38.460 -0.167 0.000 1.203 485 Y HN 0.981 nan 8.280 nan 0.000 0.427 486 E N 3.717 123.546 120.200 -0.618 0.000 2.153 486 E HA -0.131 4.213 4.350 -0.011 0.000 0.194 486 E C 0.876 177.016 176.600 -0.766 0.000 0.988 486 E CA 1.077 57.109 56.400 -0.612 0.000 0.811 486 E CB 0.367 29.794 29.700 -0.455 0.000 0.746 486 E HN 0.666 nan 8.360 nan 0.000 0.466 487 R N -0.386 119.344 120.500 -1.284 0.000 2.313 487 R HA 0.121 4.454 4.340 -0.011 0.000 0.199 487 R C 1.797 177.784 176.300 -0.522 0.000 0.958 487 R CA 0.621 56.223 56.100 -0.830 0.000 1.047 487 R CB -0.080 29.772 30.300 -0.746 0.000 0.955 487 R HN 0.106 nan 8.270 nan 0.000 0.481 488 A N 0.973 123.489 122.820 -0.506 0.000 2.014 488 A HA -0.110 4.204 4.320 -0.011 0.000 0.218 488 A C 0.735 178.236 177.584 -0.139 0.000 1.163 488 A CA 0.998 52.936 52.037 -0.165 0.000 0.652 488 A CB 0.083 19.035 19.000 -0.079 0.000 0.808 488 A HN 0.413 nan 8.150 nan 0.000 0.449 489 E N -2.016 118.075 120.200 -0.183 0.000 3.171 489 E HA -0.292 4.051 4.350 -0.011 0.000 0.412 489 E C 0.666 177.308 176.600 0.070 0.000 1.516 489 E CA 1.836 58.200 56.400 -0.060 0.000 1.196 489 E CB -1.233 28.441 29.700 -0.043 0.000 1.522 489 E HN 0.672 nan 8.360 nan 0.000 0.487 490 E N 1.234 121.460 120.200 0.043 0.000 2.526 490 E HA 0.146 4.489 4.350 -0.011 0.000 0.208 490 E C -0.202 176.415 176.600 0.029 0.000 0.997 490 E CA -0.137 56.275 56.400 0.021 0.000 0.961 490 E CB 0.122 29.819 29.700 -0.006 0.000 1.030 490 E HN 0.226 nan 8.360 nan 0.000 0.483 491 N N 0.797 119.502 118.700 0.008 0.000 2.297 491 N HA -0.085 4.649 4.740 -0.011 0.000 0.232 491 N C 0.880 176.382 175.510 -0.015 0.000 1.311 491 N CA 0.064 53.127 53.050 0.023 0.000 0.897 491 N CB 0.255 38.739 38.487 -0.006 0.000 1.137 491 N HN 0.150 nan 8.380 nan 0.000 0.449 492 Y N 0.409 120.691 120.300 -0.031 0.000 2.224 492 Y HA -0.111 4.433 4.550 -0.011 0.000 0.289 492 Y C 1.004 176.718 175.900 -0.311 0.000 1.146 492 Y CA 0.817 58.882 58.100 -0.059 0.000 1.182 492 Y CB -0.471 37.976 38.460 -0.022 0.000 0.983 492 Y HN 0.469 nan 8.280 nan 0.000 0.524 493 N N 1.355 119.221 118.700 -1.390 0.000 2.938 493 N HA -0.003 4.730 4.740 -0.011 0.000 0.286 493 N C -0.618 174.379 175.510 -0.854 0.000 1.316 493 N CA 0.947 52.979 53.050 -1.696 0.000 1.063 493 N CB -0.170 37.594 38.487 -1.205 0.000 1.388 493 N HN 0.429 nan 8.380 nan 0.000 0.545 494 T N -1.034 113.204 114.554 -0.526 0.000 3.291 494 T HA 0.154 4.498 4.350 -0.011 0.000 0.344 494 T C -0.942 173.765 174.700 0.011 0.000 1.293 494 T CA -0.578 61.460 62.100 -0.103 0.000 1.108 494 T CB 1.158 69.979 68.868 -0.079 0.000 1.231 494 T HN -0.073 nan 8.240 nan 0.000 0.474 495 D N 2.766 123.253 120.400 0.145 0.000 2.350 495 D HA 0.373 5.007 4.640 -0.011 0.000 0.213 495 D C 0.342 176.671 176.300 0.047 0.000 1.031 495 D CA 0.604 54.690 54.000 0.144 0.000 0.861 495 D CB 0.412 41.344 40.800 0.220 0.000 0.926 495 D HN 0.536 nan 8.370 nan 0.000 0.520 496 I N 0.204 120.777 120.570 0.004 0.000 2.619 496 I HA 0.146 4.310 4.170 -0.011 0.000 0.292 496 I C -1.240 174.831 176.117 -0.077 0.000 1.100 496 I CA -1.183 60.096 61.300 -0.034 0.000 1.043 496 I CB 2.435 40.400 38.000 -0.059 0.000 1.239 496 I HN -0.230 nan 8.210 nan 0.000 0.420 497 Y N 5.095 125.231 120.300 -0.274 0.000 2.452 497 Y HA 0.162 4.706 4.550 -0.010 0.000 0.348 497 Y C 0.633 176.270 175.900 -0.437 0.000 0.985 497 Y CA -0.028 57.793 58.100 -0.466 0.000 1.214 497 Y CB 1.088 39.081 38.460 -0.777 0.000 1.136 497 Y HN 0.667 nan 8.280 nan 0.000 0.523 498 c N 5.156 123.340 118.600 -0.693 0.000 2.791 498 c HA 0.247 4.811 4.570 -0.011 0.000 0.288 498 c C 1.454 175.223 174.090 -0.534 0.000 1.271 498 c CA -0.112 55.929 56.329 -0.480 0.000 1.726 498 c CB -1.097 41.214 42.510 -0.331 0.000 2.145 498 c HN 0.985 nan 8.230 nan 0.000 0.572 502 R N 1.624 122.261 120.500 0.228 0.000 2.641 502 R HA 0.381 4.715 4.340 -0.011 0.000 0.269 502 R C 0.814 177.255 176.300 0.235 0.000 1.074 502 R CA 0.155 56.380 56.100 0.207 0.000 1.133 502 R CB 0.629 31.063 30.300 0.223 0.000 1.029 502 R HN 0.365 nan 8.270 nan 0.000 0.488 503 S N -0.190 115.592 115.700 0.135 0.000 2.603 503 S HA 0.060 4.523 4.470 -0.011 0.000 0.268 503 S C 1.600 176.157 174.600 -0.072 0.000 1.317 503 S CA -0.823 57.398 58.200 0.035 0.000 1.012 503 S CB 1.013 64.216 63.200 0.005 0.000 0.926 503 S HN 0.281 nan 8.310 nan 0.000 0.539 504 V N 1.710 121.459 119.914 -0.275 0.000 2.277 504 V HA -0.264 3.850 4.120 -0.011 0.000 0.253 504 V C 2.232 178.228 176.094 -0.163 0.000 1.067 504 V CA 2.592 64.696 62.300 -0.326 0.000 1.047 504 V CB -1.017 30.581 31.823 -0.376 0.000 0.649 504 V HN 0.888 nan 8.190 nan 0.000 0.447 505 D N -0.352 119.989 120.400 -0.099 0.000 2.117 505 D HA -0.132 4.502 4.640 -0.011 0.000 0.197 505 D C 2.139 178.447 176.300 0.013 0.000 0.987 505 D CA 1.385 55.361 54.000 -0.040 0.000 0.829 505 D CB -0.470 40.315 40.800 -0.025 0.000 0.961 505 D HN 0.366 nan 8.370 nan 0.000 0.460 506 V N 1.290 121.229 119.914 0.043 0.000 2.407 506 V HA -0.196 3.917 4.120 -0.011 0.000 0.248 506 V C 2.477 178.700 176.094 0.216 0.000 1.055 506 V CA 0.982 63.362 62.300 0.133 0.000 1.049 506 V CB -0.356 31.561 31.823 0.158 0.000 0.662 506 V HN 0.186 nan 8.190 nan 0.000 0.455 507 I N -0.432 120.179 120.570 0.070 0.000 2.226 507 I HA -0.257 3.906 4.170 -0.011 0.000 0.245 507 I C 2.694 178.889 176.117 0.129 0.000 1.100 507 I CA 1.617 62.905 61.300 -0.020 0.000 1.374 507 I CB -0.471 37.322 38.000 -0.344 0.000 1.057 507 I HN 0.183 nan 8.210 nan 0.000 0.413 508 R N 0.767 121.293 120.500 0.042 0.000 2.115 508 R HA -0.107 4.226 4.340 -0.011 0.000 0.230 508 R C 2.065 178.419 176.300 0.089 0.000 1.111 508 R CA 1.266 57.394 56.100 0.045 0.000 0.976 508 R CB -0.305 29.989 30.300 -0.010 0.000 0.870 508 R HN 0.409 nan 8.270 nan 0.000 0.445 509 N N -0.051 118.719 118.700 0.117 0.000 2.223 509 N HA -0.208 4.525 4.740 -0.011 0.000 0.185 509 N C 1.380 176.975 175.510 0.142 0.000 1.016 509 N CA 1.122 54.238 53.050 0.110 0.000 0.863 509 N CB -0.348 38.206 38.487 0.112 0.000 0.983 509 N HN 0.308 nan 8.380 nan 0.000 0.429 510 Y N 0.989 121.365 120.300 0.127 0.000 2.184 510 Y HA -0.007 4.537 4.550 -0.011 0.000 0.290 510 Y C 2.186 178.131 175.900 0.076 0.000 1.129 510 Y CA 0.932 59.098 58.100 0.110 0.000 1.144 510 Y CB -0.357 38.280 38.460 0.295 0.000 0.995 510 Y HN -0.104 nan 8.280 nan 0.000 0.513 511 V N -0.383 119.623 119.914 0.153 0.000 3.380 511 V HA -0.019 4.094 4.120 -0.011 0.000 0.268 511 V C 1.360 177.431 176.094 -0.039 0.000 1.168 511 V CA 1.209 63.546 62.300 0.060 0.000 1.156 511 V CB -0.121 31.818 31.823 0.193 0.000 0.785 511 V HN 0.319 nan 8.190 nan 0.000 0.487 512 V N 0.600 120.486 119.914 -0.045 0.000 3.578 512 V HA 0.339 4.452 4.120 -0.011 0.000 0.290 512 V C 1.277 177.326 176.094 -0.075 0.000 1.376 512 V CA -0.083 62.193 62.300 -0.041 0.000 1.083 512 V CB -0.206 31.608 31.823 -0.014 0.000 0.911 512 V HN 0.466 nan 8.190 nan 0.000 0.433 513 R N 0.919 121.333 120.500 -0.144 0.000 2.594 513 R HA 0.183 4.517 4.340 -0.011 0.000 0.272 513 R C 1.196 177.411 176.300 -0.142 0.000 1.074 513 R CA -0.022 55.983 56.100 -0.158 0.000 1.105 513 R CB 0.550 30.699 30.300 -0.250 0.000 1.008 513 R HN 0.357 nan 8.270 nan 0.000 0.472 514 K N 0.712 121.056 120.400 -0.093 0.000 2.367 514 K HA 0.001 4.314 4.320 -0.011 0.000 0.194 514 K C -0.014 176.554 176.600 -0.053 0.000 1.027 514 K CA 0.351 56.599 56.287 -0.064 0.000 1.075 514 K CB 0.439 32.916 32.500 -0.038 0.000 0.845 514 K HN 0.526 nan 8.250 nan 0.000 0.529 515 D N 2.412 122.774 120.400 -0.064 0.000 2.395 515 D HA 0.059 4.693 4.640 -0.011 0.000 0.226 515 D C 0.623 176.930 176.300 0.012 0.000 1.146 515 D CA -0.418 53.567 54.000 -0.026 0.000 0.830 515 D CB -0.313 40.471 40.800 -0.025 0.000 0.958 515 D HN 0.475 nan 8.370 nan 0.000 0.501 516 I N -2.337 118.212 120.570 -0.036 0.000 2.707 516 I HA 0.514 4.677 4.170 -0.011 0.000 0.309 516 I C -0.262 175.940 176.117 0.142 0.000 1.001 516 I CA -1.288 60.000 61.300 -0.021 0.000 1.129 516 I CB 1.765 39.543 38.000 -0.371 0.000 1.308 516 I HN -0.104 nan 8.210 nan 0.000 0.466 517 Y N 1.389 121.680 120.300 -0.015 0.000 2.728 517 Y HA 0.553 5.096 4.550 -0.011 0.000 0.256 517 Y C -0.053 175.892 175.900 0.075 0.000 1.112 517 Y CA -0.888 57.229 58.100 0.028 0.000 1.240 517 Y CB 0.278 38.757 38.460 0.032 0.000 1.337 517 Y HN 0.408 nan 8.280 nan 0.000 0.559 518 R N 2.855 123.240 120.500 -0.192 0.000 2.561 518 R HA 0.421 4.755 4.340 -0.011 0.000 0.297 518 R C -2.942 173.413 176.300 0.092 0.000 0.969 518 R CA -2.111 53.911 56.100 -0.131 0.000 0.879 518 R CB 1.708 31.805 30.300 -0.338 0.000 1.178 518 R HN -0.032 nan 8.270 nan 0.000 0.445 519 P HA -0.067 nan 4.420 nan 0.000 0.268 519 P C -0.829 176.585 177.300 0.191 0.000 1.205 519 P CA 0.159 63.371 63.100 0.187 0.000 0.771 519 P CB 0.592 32.380 31.700 0.147 0.000 0.858 520 F N 3.935 123.942 119.950 0.095 0.000 2.404 520 F HA 0.359 4.879 4.527 -0.011 0.000 0.359 520 F C 0.161 175.882 175.800 -0.131 0.000 1.134 520 F CA -0.641 57.335 58.000 -0.040 0.000 1.160 520 F CB 0.147 39.142 39.000 -0.008 0.000 1.186 520 F HN 0.097 nan 8.300 nan 0.000 0.526 521 I N 7.380 128.072 120.570 0.204 0.000 2.439 521 I HA 0.130 4.294 4.170 -0.011 0.000 0.283 521 I C -0.927 175.117 176.117 -0.121 0.000 1.023 521 I CA -1.062 60.183 61.300 -0.091 0.000 1.100 521 I CB 1.639 39.539 38.000 -0.167 0.000 1.238 521 I HN 0.340 nan 8.210 nan 0.000 0.445 522 L N 5.522 126.587 121.223 -0.263 0.000 2.597 522 L HA 0.030 4.363 4.340 -0.011 0.000 0.271 522 L C 1.156 177.912 176.870 -0.190 0.000 1.157 522 L CA 0.740 55.434 54.840 -0.244 0.000 0.928 522 L CB 0.531 42.337 42.059 -0.421 0.000 1.216 522 L HN 0.806 nan 8.230 nan 0.000 0.481 523 c N 2.350 120.846 118.600 -0.174 0.000 2.429 523 c HA -0.042 4.521 4.570 -0.011 0.000 0.277 523 c C 1.069 175.115 174.090 -0.073 0.000 1.262 523 c CA 0.541 56.793 56.329 -0.129 0.000 1.733 523 c CB -0.544 41.867 42.510 -0.165 0.000 2.010 523 c HN 0.775 nan 8.230 nan 0.000 0.483 524 E N -2.087 117.985 120.200 -0.212 0.000 2.292 524 E HA 0.579 4.923 4.350 -0.011 0.000 0.272 524 E C -1.240 175.090 176.600 -0.450 0.000 0.881 524 E CA -0.362 55.876 56.400 -0.271 0.000 0.754 524 E CB 1.946 31.311 29.700 -0.558 0.000 1.201 524 E HN 0.530 nan 8.360 nan 0.000 0.425 525 Y N 0.378 120.518 120.300 -0.268 0.000 2.656 525 Y HA 0.510 5.053 4.550 -0.010 0.000 0.334 525 Y C -0.784 175.197 175.900 0.135 0.000 1.179 525 Y CA -1.613 56.410 58.100 -0.128 0.000 1.050 525 Y CB 0.833 39.107 38.460 -0.310 0.000 1.308 525 Y HN 0.452 nan 8.280 nan 0.000 0.456 526 L N 3.011 124.227 121.223 -0.013 0.000 3.550 526 L HA -0.211 4.122 4.340 -0.011 0.000 0.523 526 L C -0.500 176.349 176.870 -0.036 0.000 1.312 526 L CA 1.056 55.795 54.840 -0.169 0.000 0.864 526 L CB -1.271 40.393 42.059 -0.658 0.000 1.592 526 L HN 0.991 nan 8.230 nan 0.000 0.859 527 H N 1.380 120.483 119.070 0.055 0.000 3.217 527 H HA 0.322 4.871 4.556 -0.011 0.000 0.272 527 H C 0.780 176.035 175.328 -0.122 0.000 0.929 527 H CA 0.755 56.833 56.048 0.050 0.000 1.425 527 H CB 0.435 30.140 29.762 -0.095 0.000 1.505 527 H HN 0.671 nan 8.280 nan 0.000 0.542 531 N N 1.077 119.165 118.700 -1.019 0.000 2.421 531 N HA 0.551 5.285 4.740 -0.011 0.000 0.260 531 N C -0.203 175.076 175.510 -0.385 0.000 1.173 531 N CA 0.691 53.233 53.050 -0.845 0.000 0.960 531 N CB 0.795 38.711 38.487 -0.952 0.000 1.273 531 N HN 0.580 nan 8.380 nan 0.000 0.497 532 S N 1.458 117.116 115.700 -0.070 0.000 3.121 532 S HA 0.415 4.879 4.470 -0.011 0.000 0.324 532 S C -0.455 174.049 174.600 -0.161 0.000 1.192 532 S CA 0.052 58.154 58.200 -0.163 0.000 0.937 532 S CB 0.068 63.124 63.200 -0.239 0.000 1.336 532 S HN 0.635 nan 8.310 nan 0.000 0.664 533 C N 1.314 120.474 119.300 -0.233 0.000 4.432 533 C HA -0.034 4.419 4.460 -0.011 0.000 0.294 533 C C 1.023 175.956 174.990 -0.094 0.000 1.398 533 C CA -0.045 58.856 59.018 -0.195 0.000 1.988 533 C CB -2.543 25.026 27.740 -0.285 0.000 1.251 533 C HN 1.007 nan 8.230 nan 0.000 0.791 534 G N 0.056 108.799 108.800 -0.096 0.000 2.527 534 G HA2 0.588 4.541 3.960 -0.011 0.000 0.248 534 G HA3 0.588 4.541 3.960 -0.011 0.000 0.248 534 G C 0.647 175.522 174.900 -0.041 0.000 1.231 534 G CA 0.815 45.853 45.100 -0.102 0.000 0.838 534 G HN 2.258 nan 8.290 nan 0.000 0.570 538 E N 0.302 120.548 120.200 0.076 0.000 2.106 538 E HA -0.045 4.299 4.350 -0.011 0.000 0.192 538 E C 1.257 177.751 176.600 -0.177 0.000 0.984 538 E CA 1.611 57.983 56.400 -0.047 0.000 0.806 538 E CB -0.115 29.531 29.700 -0.089 0.000 0.750 538 E HN 0.331 nan 8.360 nan 0.000 0.458 539 Y N -1.372 118.855 120.300 -0.121 0.000 2.128 539 Y HA -0.254 4.290 4.550 -0.011 0.000 0.284 539 Y C 1.737 177.122 175.900 -0.859 0.000 1.154 539 Y CA 1.155 58.961 58.100 -0.489 0.000 1.149 539 Y CB -0.191 38.196 38.460 -0.121 0.000 0.976 539 Y HN 0.158 nan 8.280 nan 0.000 0.505 540 W N 0.090 121.350 121.300 -0.067 0.000 2.518 540 W HA -0.044 4.609 4.660 -0.011 0.000 0.273 540 W C 2.107 178.558 176.519 -0.113 0.000 1.247 540 W CA 1.014 58.342 57.345 -0.028 0.000 1.288 540 W CB -0.409 29.113 29.460 0.103 0.000 1.107 540 W HN 0.066 nan 8.180 nan 0.000 0.586 541 E N -0.031 120.185 120.200 0.026 0.000 2.171 541 E HA -0.217 4.126 4.350 -0.011 0.000 0.197 541 E C 2.005 178.534 176.600 -0.118 0.000 0.997 541 E CA 1.775 58.163 56.400 -0.019 0.000 0.810 541 E CB -0.352 29.338 29.700 -0.016 0.000 0.738 541 E HN 0.097 nan 8.360 nan 0.000 0.467 542 V N 0.193 119.923 119.914 -0.306 0.000 2.346 542 V HA -0.193 3.920 4.120 -0.011 0.000 0.244 542 V C 1.865 177.775 176.094 -0.307 0.000 1.037 542 V CA 1.582 63.666 62.300 -0.361 0.000 1.029 542 V CB -0.549 30.949 31.823 -0.542 0.000 0.663 542 V HN 0.255 nan 8.190 nan 0.000 0.454 543 F N 0.644 120.388 119.950 -0.343 0.000 2.146 543 F HA -0.126 4.394 4.527 -0.011 0.000 0.298 543 F C 2.484 178.125 175.800 -0.265 0.000 1.096 543 F CA 1.250 58.980 58.000 -0.450 0.000 1.275 543 F CB -0.311 38.078 39.000 -1.018 0.000 1.008 543 F HN 0.176 nan 8.300 nan 0.000 0.480 544 E N -0.083 120.103 120.200 -0.023 0.000 2.478 544 E HA -0.103 4.241 4.350 -0.011 0.000 0.198 544 E C 0.956 177.630 176.600 0.125 0.000 1.046 544 E CA 0.436 56.795 56.400 -0.069 0.000 0.870 544 E CB -0.169 29.454 29.700 -0.129 0.000 0.818 544 E HN 0.513 nan 8.360 nan 0.000 0.527 545 N N 0.185 118.929 118.700 0.074 0.000 2.193 545 N HA 0.019 4.753 4.740 -0.011 0.000 0.210 545 N C -0.313 175.235 175.510 0.065 0.000 1.215 545 N CA 0.166 53.269 53.050 0.088 0.000 0.901 545 N CB 1.006 39.527 38.487 0.057 0.000 1.060 545 N HN 0.011 nan 8.380 nan 0.000 0.508 546 E N 2.195 122.426 120.200 0.051 0.000 2.109 546 E HA 0.370 4.714 4.350 -0.011 0.000 0.278 546 E C -2.157 174.494 176.600 0.085 0.000 0.954 546 E CA -1.756 54.681 56.400 0.061 0.000 0.779 546 E CB 1.680 31.412 29.700 0.053 0.000 1.093 546 E HN 0.098 nan 8.360 nan 0.000 0.401 550 Q N 1.146 120.858 119.800 -0.148 0.000 2.212 550 Q HA 0.439 4.773 4.340 -0.011 0.000 0.213 550 Q C 1.095 176.716 176.000 -0.631 0.000 0.874 550 Q CA 0.708 56.364 55.803 -0.245 0.000 0.965 550 Q CB 0.658 29.377 28.738 -0.031 0.000 1.074 550 Q HN 1.956 nan 8.270 nan 0.000 0.473 551 G N -0.698 107.204 108.800 -1.497 0.000 2.482 551 G HA2 0.074 4.027 3.960 -0.011 0.000 0.214 551 G HA3 0.074 4.027 3.960 -0.011 0.000 0.214 551 G C -0.094 174.008 174.900 -1.329 0.000 1.271 551 G CA -0.727 43.033 45.100 -2.233 0.000 0.944 551 G HN 0.626 nan 8.290 nan 0.000 0.568 552 G N -2.655 105.679 108.800 -0.777 0.000 2.335 552 G HA2 0.562 4.515 3.960 -0.011 0.000 0.291 552 G HA3 0.562 4.515 3.960 -0.011 0.000 0.291 552 G C -1.402 173.561 174.900 0.105 0.000 1.261 552 G CA 0.566 45.415 45.100 -0.418 0.000 0.871 552 G HN 1.815 nan 8.290 nan 0.000 0.491 553 C N 0.863 120.326 119.300 0.272 0.000 2.340 553 C HA 0.622 5.076 4.460 -0.011 0.000 0.323 553 C C 0.737 175.950 174.990 0.372 0.000 1.260 553 C CA -0.507 58.704 59.018 0.320 0.000 1.464 553 C CB -0.318 27.514 27.740 0.153 0.000 2.156 553 C HN 0.546 nan 8.230 nan 0.000 0.476 554 I N 3.318 124.021 120.570 0.221 0.000 2.648 554 I HA 0.037 4.200 4.170 -0.011 0.000 0.284 554 I C 0.217 176.384 176.117 0.084 0.000 1.153 554 I CA 0.449 61.705 61.300 -0.072 0.000 1.426 554 I CB 0.514 38.435 38.000 -0.132 0.000 1.381 554 I HN 0.634 nan 8.210 nan 0.000 0.571 555 W N 8.119 129.376 121.300 -0.071 0.000 2.291 555 W HA 0.229 4.882 4.660 -0.012 0.000 0.312 555 W C -0.894 175.533 176.519 -0.153 0.000 1.061 555 W CA -0.357 56.983 57.345 -0.007 0.000 1.296 555 W CB 1.037 30.620 29.460 0.205 0.000 1.223 555 W HN 0.725 nan 8.180 nan 0.000 0.421 556 D N 3.053 123.137 120.400 -0.526 0.000 3.076 556 D HA 0.106 4.740 4.640 -0.011 0.000 0.301 556 D C 0.702 176.848 176.300 -0.258 0.000 1.260 556 D CA -0.443 53.199 54.000 -0.598 0.000 1.027 556 D CB 0.093 40.063 40.800 -1.384 0.000 1.370 556 D HN 0.427 nan 8.370 nan 0.000 0.602 557 W N 0.366 121.425 121.300 -0.402 0.000 2.501 557 W HA 0.243 4.897 4.660 -0.010 0.000 0.309 557 W C -0.185 176.191 176.519 -0.239 0.000 1.165 557 W CA 0.749 57.938 57.345 -0.261 0.000 1.381 557 W CB 0.423 29.748 29.460 -0.225 0.000 1.142 557 W HN 0.116 nan 8.180 nan 0.000 0.509 558 V N 3.080 122.779 119.914 -0.359 0.000 2.588 558 V HA 0.259 4.372 4.120 -0.011 0.000 0.304 558 V C -0.856 174.983 176.094 -0.425 0.000 1.042 558 V CA -0.760 61.237 62.300 -0.505 0.000 0.877 558 V CB 1.431 33.047 31.823 -0.345 0.000 0.996 558 V HN -0.084 nan 8.190 nan 0.000 0.425 559 D N 4.177 124.310 120.400 -0.446 0.000 2.472 559 D HA 0.122 4.755 4.640 -0.011 0.000 0.237 559 D C 0.074 175.983 176.300 -0.652 0.000 1.141 559 D CA 0.690 54.415 54.000 -0.458 0.000 0.875 559 D CB 0.780 41.309 40.800 -0.451 0.000 1.192 559 D HN 0.617 nan 8.370 nan 0.000 0.450 560 Q N 1.222 120.633 119.800 -0.648 0.000 2.771 560 Q HA 0.305 4.639 4.340 -0.011 0.000 0.239 560 Q C -0.561 175.117 176.000 -0.536 0.000 1.231 560 Q CA -0.188 55.004 55.803 -1.019 0.000 1.056 560 Q CB 0.782 29.235 28.738 -0.475 0.000 1.284 560 Q HN 0.174 nan 8.270 nan 0.000 0.558 561 S N 0.837 116.204 115.700 -0.556 0.000 2.632 561 S HA 0.751 5.214 4.470 -0.011 0.000 0.289 561 S C -1.475 173.058 174.600 -0.112 0.000 1.115 561 S CA -0.519 57.594 58.200 -0.146 0.000 0.889 561 S CB 0.813 63.897 63.200 -0.195 0.000 1.116 561 S HN 0.318 nan 8.310 nan 0.000 0.486 562 F N 1.770 122.027 119.950 0.513 0.000 2.520 562 F HA 0.551 5.075 4.527 -0.005 0.000 0.322 562 F C 0.418 176.501 175.800 0.472 0.000 1.103 562 F CA -0.814 57.426 58.000 0.401 0.000 0.926 562 F CB 1.405 40.493 39.000 0.146 0.000 1.154 562 F HN 0.469 nan 8.300 nan 0.000 0.453 563 R N 2.876 123.668 120.500 0.487 0.000 2.265 563 R HA 0.381 4.714 4.340 -0.011 0.000 0.314 563 R C -0.644 175.592 176.300 -0.105 0.000 1.053 563 R CA -0.181 55.916 56.100 -0.006 0.000 0.931 563 R CB 0.608 30.736 30.300 -0.286 0.000 1.024 563 R HN 0.605 nan 8.270 nan 0.000 0.457 564 E N 2.718 122.688 120.200 -0.382 0.000 2.370 564 E HA 0.432 4.775 4.350 -0.011 0.000 0.259 564 E C -1.085 175.244 176.600 -0.453 0.000 0.947 564 E CA -0.990 55.146 56.400 -0.441 0.000 0.809 564 E CB 2.198 31.558 29.700 -0.566 0.000 1.300 564 E HN 0.318 nan 8.360 nan 0.000 0.419 565 V N 1.893 121.688 119.914 -0.198 0.000 2.577 565 V HA 0.159 4.272 4.120 -0.011 0.000 0.303 565 V C -0.345 175.823 176.094 0.124 0.000 1.042 565 V CA -0.941 61.356 62.300 -0.004 0.000 0.872 565 V CB 1.807 33.628 31.823 -0.003 0.000 0.998 565 V HN 0.696 nan 8.190 nan 0.000 0.423 566 D N 3.936 124.479 120.400 0.237 0.000 2.447 566 D HA 0.127 4.760 4.640 -0.011 0.000 0.265 566 D C 1.111 177.448 176.300 0.062 0.000 1.250 566 D CA -0.569 53.532 54.000 0.167 0.000 1.046 566 D CB 0.716 41.571 40.800 0.092 0.000 1.095 566 D HN 0.583 nan 8.370 nan 0.000 0.555 567 K N -1.106 119.309 120.400 0.024 0.000 2.515 567 K HA -0.082 4.232 4.320 -0.011 0.000 0.196 567 K C -0.228 176.374 176.600 0.005 0.000 1.038 567 K CA 0.983 57.275 56.287 0.008 0.000 0.967 567 K CB -0.117 32.381 32.500 -0.004 0.000 0.780 567 K HN 0.246 nan 8.250 nan 0.000 0.483 568 D N 0.251 120.654 120.400 0.006 0.000 2.440 568 D HA 0.107 4.740 4.640 -0.011 0.000 0.216 568 D C 0.669 176.977 176.300 0.013 0.000 1.150 568 D CA 0.543 54.545 54.000 0.003 0.000 0.832 568 D CB 1.050 41.846 40.800 -0.006 0.000 0.992 568 D HN 0.453 nan 8.370 nan 0.000 0.502 569 G N 1.705 110.520 108.800 0.026 0.000 2.141 569 G HA2 -0.291 3.662 3.960 -0.011 0.000 0.242 569 G HA3 -0.291 3.662 3.960 -0.011 0.000 0.242 569 G C 0.171 175.106 174.900 0.058 0.000 0.982 569 G CA -0.257 44.865 45.100 0.036 0.000 0.662 569 G HN 0.268 nan 8.290 nan 0.000 0.527 570 K N 1.245 121.673 120.400 0.048 0.000 2.262 570 K HA 0.354 4.667 4.320 -0.011 0.000 0.282 570 K C 0.950 177.609 176.600 0.098 0.000 1.066 570 K CA -0.693 55.605 56.287 0.017 0.000 0.901 570 K CB 0.753 33.221 32.500 -0.053 0.000 1.089 570 K HN 0.451 nan 8.250 nan 0.000 0.476 571 W N 4.522 125.792 121.300 -0.049 0.000 2.215 571 W HA 0.387 5.036 4.660 -0.019 0.000 0.342 571 W C -0.716 175.775 176.519 -0.048 0.000 1.237 571 W CA -0.737 56.523 57.345 -0.142 0.000 1.283 571 W CB -0.102 29.184 29.460 -0.290 0.000 1.131 571 W HN 0.645 nan 8.180 nan 0.000 0.606 572 Y N -1.485 118.775 120.300 -0.068 0.000 2.677 572 Y HA 0.505 5.036 4.550 -0.032 0.000 0.334 572 Y C -1.705 174.214 175.900 0.031 0.000 1.196 572 Y CA -2.605 55.331 58.100 -0.273 0.000 1.059 572 Y CB 0.378 38.727 38.460 -0.184 0.000 1.315 572 Y HN 0.495 nan 8.280 nan 0.000 0.455 573 W N 1.989 123.549 121.300 0.433 0.000 2.316 573 W HA 0.576 5.230 4.660 -0.011 0.000 0.321 573 W C 0.044 176.873 176.519 0.516 0.000 1.203 573 W CA -0.266 57.331 57.345 0.420 0.000 1.214 573 W CB 1.969 31.672 29.460 0.405 0.000 1.169 573 W HN 0.702 nan 8.180 nan 0.000 0.561 574 T N 0.084 115.076 114.554 0.730 0.000 2.952 574 T HA 0.757 5.101 4.350 -0.011 0.000 0.286 574 T C -0.746 174.371 174.700 0.695 0.000 1.024 574 T CA -0.478 61.955 62.100 0.555 0.000 1.029 574 T CB 1.655 70.763 68.868 0.401 0.000 1.094 574 T HN 0.535 nan 8.240 nan 0.000 0.515 575 Y N -1.698 118.961 120.300 0.598 0.000 3.044 575 Y HA 0.736 5.286 4.550 -0.000 0.000 0.295 575 Y C 0.443 176.625 175.900 0.469 0.000 1.754 575 Y CA -1.638 56.762 58.100 0.499 0.000 1.082 575 Y CB -0.054 38.526 38.460 0.201 0.000 1.973 575 Y HN 0.929 nan 8.280 nan 0.000 0.427 576 G N -0.157 108.949 108.800 0.509 0.000 2.391 576 G HA2 0.378 4.332 3.960 -0.011 0.000 0.234 576 G HA3 0.378 4.332 3.960 -0.011 0.000 0.234 576 G C 0.976 176.070 174.900 0.322 0.000 1.284 576 G CA 0.447 45.805 45.100 0.430 0.000 0.873 576 G HN 2.034 nan 8.290 nan 0.000 0.549 577 G N 1.693 110.672 108.800 0.298 0.000 2.176 577 G HA2 -0.255 3.699 3.960 -0.011 0.000 0.253 577 G HA3 -0.255 3.699 3.960 -0.011 0.000 0.253 577 G C 0.817 175.794 174.900 0.128 0.000 0.979 577 G CA 0.729 45.952 45.100 0.205 0.000 0.641 577 G HN 0.640 nan 8.290 nan 0.000 0.530 578 D N -0.756 119.705 120.400 0.101 0.000 2.346 578 D HA 0.238 4.871 4.640 -0.011 0.000 0.206 578 D C 0.388 176.458 176.300 -0.383 0.000 1.001 578 D CA 0.577 54.463 54.000 -0.190 0.000 0.871 578 D CB 0.127 40.736 40.800 -0.319 0.000 0.943 578 D HN 0.547 nan 8.370 nan 0.000 0.518 579 Y N -0.497 119.942 120.300 0.231 0.000 2.446 579 Y HA 0.557 5.085 4.550 -0.037 0.000 0.345 579 Y C 1.075 177.080 175.900 0.176 0.000 0.984 579 Y CA -0.558 57.640 58.100 0.162 0.000 1.058 579 Y CB 2.387 40.931 38.460 0.139 0.000 1.220 579 Y HN -0.015 nan 8.280 nan 0.000 0.455 580 G N 2.247 111.207 108.800 0.266 0.000 2.483 580 G HA2 0.012 3.965 3.960 -0.011 0.000 0.521 580 G HA3 0.012 3.965 3.960 -0.011 0.000 0.521 580 G C -2.888 172.095 174.900 0.139 0.000 1.278 580 G CA -1.193 44.031 45.100 0.207 0.000 0.965 580 G HN 0.546 nan 8.290 nan 0.000 0.504 581 P HA 0.344 nan 4.420 nan 0.000 0.297 581 P C 0.925 178.276 177.300 0.084 0.000 1.303 581 P CA -0.167 62.983 63.100 0.083 0.000 0.753 581 P CB 0.714 32.453 31.700 0.065 0.000 1.281 582 K N -0.445 119.993 120.400 0.064 0.000 2.057 582 K HA -0.103 4.210 4.320 -0.011 0.000 0.206 582 K C 0.586 177.230 176.600 0.074 0.000 1.050 582 K CA 1.492 57.816 56.287 0.062 0.000 0.935 582 K CB -0.268 32.260 32.500 0.047 0.000 0.715 582 K HN 0.225 nan 8.250 nan 0.000 0.439 583 D N 1.262 121.705 120.400 0.072 0.000 2.395 583 D HA 0.008 4.642 4.640 -0.011 0.000 0.226 583 D C -0.438 175.926 176.300 0.106 0.000 1.146 583 D CA -0.042 54.005 54.000 0.079 0.000 0.830 583 D CB 0.369 41.206 40.800 0.063 0.000 0.958 583 D HN 0.002 nan 8.370 nan 0.000 0.501 584 V N 2.244 122.237 119.914 0.131 0.000 2.644 584 V HA 0.004 4.118 4.120 -0.011 0.000 0.305 584 V C -1.970 174.247 176.094 0.204 0.000 1.053 584 V CA -1.080 61.334 62.300 0.190 0.000 1.186 584 V CB 0.519 32.479 31.823 0.228 0.000 0.895 584 V HN 0.041 nan 8.190 nan 0.000 0.490 585 P HA 0.090 nan 4.420 nan 0.000 0.266 585 P C -0.808 176.590 177.300 0.162 0.000 1.180 585 P CA 0.544 63.757 63.100 0.189 0.000 0.765 585 P CB 0.383 32.212 31.700 0.215 0.000 0.806 586 S N 1.639 117.404 115.700 0.108 0.000 2.583 586 S HA 0.375 4.839 4.470 -0.011 0.000 0.294 586 S C -1.462 173.225 174.600 0.144 0.000 1.121 586 S CA -0.550 57.722 58.200 0.121 0.000 0.910 586 S CB -0.083 63.222 63.200 0.175 0.000 1.102 586 S HN 0.183 nan 8.310 nan 0.000 0.451 587 F N 4.726 124.581 119.950 -0.158 0.000 2.923 587 F HA 0.540 5.059 4.527 -0.012 0.000 0.314 587 F C 1.252 177.210 175.800 0.264 0.000 1.196 587 F CA 0.522 58.471 58.000 -0.084 0.000 1.320 587 F CB 0.089 38.888 39.000 -0.335 0.000 0.953 587 F HN 1.125 nan 8.300 nan 0.000 0.505 588 G N 2.314 111.273 108.800 0.266 0.000 2.581 588 G HA2 -0.444 3.509 3.960 -0.011 0.000 0.291 588 G HA3 -0.444 3.509 3.960 -0.011 0.000 0.291 588 G C 0.872 175.977 174.900 0.342 0.000 1.277 588 G CA 0.480 45.768 45.100 0.313 0.000 0.959 588 G HN 0.572 nan 8.290 nan 0.000 0.554 589 N N 0.618 119.243 118.700 -0.126 0.000 2.421 589 N HA 0.136 4.869 4.740 -0.011 0.000 0.201 589 N C 1.429 176.833 175.510 -0.176 0.000 1.198 589 N CA 0.860 53.658 53.050 -0.419 0.000 0.838 589 N CB -0.201 37.752 38.487 -0.889 0.000 1.011 589 N HN 0.458 nan 8.380 nan 0.000 0.463 590 F N 1.210 121.122 119.950 -0.063 0.000 2.699 590 F HA -0.003 4.516 4.527 -0.013 0.000 0.298 590 F C 1.853 177.677 175.800 0.039 0.000 1.154 590 F CA 0.237 58.285 58.000 0.081 0.000 1.457 590 F CB 0.109 39.297 39.000 0.313 0.000 1.106 590 F HN 0.278 nan 8.300 nan 0.000 0.585 591 C N -2.051 117.050 119.300 -0.332 0.000 2.539 591 C HA 0.188 4.642 4.460 -0.011 0.000 0.268 591 C C 1.100 175.891 174.990 -0.332 0.000 1.395 591 C CA -1.120 57.560 59.018 -0.563 0.000 1.757 591 C CB -2.253 24.621 27.740 -1.443 0.000 1.851 591 C HN 0.311 nan 8.230 nan 0.000 0.545 592 C N 3.281 122.400 119.300 -0.301 0.000 2.168 592 C HA 0.386 4.839 4.460 -0.011 0.000 0.333 592 C C 0.571 175.380 174.990 -0.301 0.000 1.106 592 C CA -0.079 58.762 59.018 -0.294 0.000 1.574 592 C CB -2.059 25.520 27.740 -0.268 0.000 2.055 592 C HN 0.686 nan 8.230 nan 0.000 0.473 593 N N 0.775 119.294 118.700 -0.303 0.000 2.466 593 N HA 0.224 4.957 4.740 -0.011 0.000 0.272 593 N C 0.411 175.716 175.510 -0.341 0.000 1.455 593 N CA -0.274 52.556 53.050 -0.368 0.000 0.875 593 N CB 0.916 39.184 38.487 -0.366 0.000 1.372 593 N HN 0.726 nan 8.380 nan 0.000 0.492 594 G N -0.104 108.551 108.800 -0.242 0.000 2.462 594 G HA2 0.407 4.361 3.960 -0.011 0.000 0.319 594 G HA3 0.407 4.361 3.960 -0.011 0.000 0.319 594 G C 0.688 175.567 174.900 -0.036 0.000 1.171 594 G CA -0.586 44.372 45.100 -0.237 0.000 0.920 594 G HN 0.124 nan 8.290 nan 0.000 0.499 595 L N -0.016 121.094 121.223 -0.189 0.000 2.395 595 L HA 0.129 4.462 4.340 -0.011 0.000 0.218 595 L C 0.880 177.506 176.870 -0.406 0.000 1.130 595 L CA 0.274 55.047 54.840 -0.112 0.000 0.826 595 L CB -0.489 41.479 42.059 -0.152 0.000 0.941 595 L HN 0.384 nan 8.230 nan 0.000 0.451 596 V N -3.615 115.865 119.914 -0.723 0.000 3.001 596 V HA 0.526 4.640 4.120 -0.011 0.000 0.314 596 V C -0.252 175.380 176.094 -0.769 0.000 1.099 596 V CA -1.309 60.484 62.300 -0.844 0.000 0.989 596 V CB 1.619 32.862 31.823 -0.965 0.000 1.040 596 V HN 0.218 nan 8.190 nan 0.000 0.434 597 N N 2.098 120.288 118.700 -0.851 0.000 2.294 597 N HA 0.364 5.097 4.740 -0.011 0.000 0.248 597 N C 1.055 176.255 175.510 -0.517 0.000 1.300 597 N CA 0.223 52.912 53.050 -0.601 0.000 0.925 597 N CB 0.702 38.952 38.487 -0.397 0.000 1.188 597 N HN 1.077 nan 8.380 nan 0.000 0.512 598 A N -0.660 121.753 122.820 -0.679 0.000 2.070 598 A HA -0.029 4.285 4.320 -0.011 0.000 0.220 598 A C 1.444 178.967 177.584 -0.102 0.000 1.159 598 A CA 1.614 53.407 52.037 -0.407 0.000 0.656 598 A CB -0.929 17.802 19.000 -0.449 0.000 0.800 598 A HN 0.837 nan 8.150 nan 0.000 0.453 599 V N -5.061 114.839 119.914 -0.024 0.000 3.039 599 V HA 0.508 4.622 4.120 -0.011 0.000 0.369 599 V C 0.530 176.595 176.094 -0.048 0.000 1.344 599 V CA -0.180 62.138 62.300 0.030 0.000 1.270 599 V CB -0.914 30.965 31.823 0.093 0.000 1.284 599 V HN 0.406 nan 8.190 nan 0.000 0.518 600 R N -0.082 120.333 120.500 -0.142 0.000 3.770 600 R HA -0.193 4.140 4.340 -0.011 0.000 0.305 600 R C -0.022 176.171 176.300 -0.178 0.000 1.184 600 R CA 1.276 57.269 56.100 -0.178 0.000 0.823 600 R CB -2.583 27.693 30.300 -0.041 0.000 1.285 600 R HN 0.873 nan 8.270 nan 0.000 0.499 601 E N 1.314 121.398 120.200 -0.193 0.000 2.259 601 E HA 0.234 4.577 4.350 -0.011 0.000 0.281 601 E C -2.110 174.299 176.600 -0.319 0.000 1.027 601 E CA -2.009 54.288 56.400 -0.171 0.000 0.838 601 E CB 0.891 30.539 29.700 -0.087 0.000 1.066 601 E HN -0.005 nan 8.360 nan 0.000 0.401 602 P HA 0.003 nan 4.420 nan 0.000 0.271 602 P C -0.751 176.338 177.300 -0.351 0.000 1.216 602 P CA 0.074 62.957 63.100 -0.362 0.000 0.776 602 P CB 0.684 32.236 31.700 -0.246 0.000 0.881 603 H N 3.010 121.897 119.070 -0.305 0.000 2.547 603 H HA 0.134 4.683 4.556 -0.012 0.000 0.362 603 H C -1.364 173.604 175.328 -0.600 0.000 1.181 603 H CA -1.703 54.040 56.048 -0.508 0.000 1.376 603 H CB -0.209 29.173 29.762 -0.634 0.000 1.488 603 H HN 0.267 nan 8.280 nan 0.000 0.583 604 P HA -0.228 nan 4.420 nan 0.000 0.217 604 P C 1.120 178.275 177.300 -0.243 0.000 1.162 604 P CA 2.058 64.931 63.100 -0.377 0.000 0.901 604 P CB -0.034 31.497 31.700 -0.282 0.000 0.793 605 H N -1.345 117.671 119.070 -0.090 0.000 2.518 605 H HA -0.102 4.448 4.556 -0.011 0.000 0.294 605 H C 1.702 176.953 175.328 -0.128 0.000 1.083 605 H CA 0.828 56.822 56.048 -0.090 0.000 1.264 605 H CB -1.611 28.096 29.762 -0.092 0.000 1.370 605 H HN 0.107 nan 8.280 nan 0.000 0.560 606 L N 0.244 121.499 121.223 0.052 0.000 2.156 606 L HA 0.013 4.346 4.340 -0.011 0.000 0.208 606 L C 1.877 178.720 176.870 -0.045 0.000 1.095 606 L CA 1.198 56.023 54.840 -0.025 0.000 0.770 606 L CB -0.452 41.509 42.059 -0.164 0.000 0.914 606 L HN 0.351 nan 8.230 nan 0.000 0.439 607 L N -0.578 120.566 121.223 -0.132 0.000 2.201 607 L HA -0.146 4.188 4.340 -0.011 0.000 0.212 607 L C 2.480 179.321 176.870 -0.049 0.000 1.105 607 L CA 1.098 55.851 54.840 -0.145 0.000 0.775 607 L CB -0.555 41.141 42.059 -0.605 0.000 0.913 607 L HN 0.305 nan 8.230 nan 0.000 0.440 608 E N 0.197 120.372 120.200 -0.042 0.000 2.072 608 E HA -0.162 4.182 4.350 -0.011 0.000 0.191 608 E C 2.153 178.688 176.600 -0.109 0.000 0.985 608 E CA 1.113 57.500 56.400 -0.023 0.000 0.801 608 E CB -0.048 29.649 29.700 -0.005 0.000 0.750 608 E HN 0.182 nan 8.360 nan 0.000 0.452 609 V N 1.062 120.885 119.914 -0.152 0.000 2.358 609 V HA -0.232 3.882 4.120 -0.011 0.000 0.246 609 V C 2.449 178.397 176.094 -0.243 0.000 1.047 609 V CA 2.025 64.120 62.300 -0.341 0.000 1.035 609 V CB -0.527 31.092 31.823 -0.339 0.000 0.658 609 V HN 0.309 nan 8.190 nan 0.000 0.452 610 K N 0.489 120.887 120.400 -0.002 0.000 2.103 610 K HA -0.292 4.021 4.320 -0.011 0.000 0.207 610 K C 2.224 178.818 176.600 -0.010 0.000 1.048 610 K CA 2.040 58.386 56.287 0.097 0.000 0.930 610 K CB -0.076 32.553 32.500 0.214 0.000 0.716 610 K HN 0.344 nan 8.250 nan 0.000 0.444 611 K N 1.144 121.505 120.400 -0.065 0.000 2.001 611 K HA -0.069 4.244 4.320 -0.011 0.000 0.208 611 K C 1.893 178.359 176.600 -0.224 0.000 1.048 611 K CA 1.412 57.579 56.287 -0.200 0.000 0.932 611 K CB -0.152 32.225 32.500 -0.206 0.000 0.715 611 K HN 0.130 nan 8.250 nan 0.000 0.437 612 I N 0.188 120.622 120.570 -0.228 0.000 2.546 612 I HA -0.173 3.991 4.170 -0.011 0.000 0.255 612 I C 1.477 177.393 176.117 -0.335 0.000 1.163 612 I CA 1.068 62.200 61.300 -0.279 0.000 1.457 612 I CB -0.838 36.965 38.000 -0.328 0.000 1.092 612 I HN 0.139 nan 8.210 nan 0.000 0.434 613 Y N 2.093 122.125 120.300 -0.448 0.000 2.511 613 Y HA 0.056 4.599 4.550 -0.011 0.000 0.279 613 Y C 1.641 177.320 175.900 -0.367 0.000 1.157 613 Y CA -0.893 56.906 58.100 -0.502 0.000 1.300 613 Y CB -0.673 37.594 38.460 -0.322 0.000 1.052 613 Y HN 0.443 nan 8.280 nan 0.000 0.529 614 Q N -0.072 119.638 119.800 -0.149 0.000 2.540 614 Q HA -0.032 4.302 4.340 -0.011 0.000 0.256 614 Q C 0.216 176.039 176.000 -0.294 0.000 1.084 614 Q CA 0.387 56.075 55.803 -0.191 0.000 0.956 614 Q CB 0.475 29.109 28.738 -0.174 0.000 1.303 614 Q HN 0.149 nan 8.270 nan 0.000 0.509 615 N N 0.604 119.031 118.700 -0.455 0.000 2.184 615 N HA 0.249 4.983 4.740 -0.011 0.000 0.206 615 N C -0.525 174.648 175.510 -0.563 0.000 1.151 615 N CA 0.215 52.860 53.050 -0.675 0.000 0.878 615 N CB 0.836 38.378 38.487 -1.575 0.000 1.014 615 N HN 0.532 nan 8.380 nan 0.000 0.512 616 I N 1.807 122.101 120.570 -0.461 0.000 2.495 616 I HA 0.245 4.409 4.170 -0.011 0.000 0.277 616 I C -0.557 175.436 176.117 -0.206 0.000 1.045 616 I CA -0.478 60.539 61.300 -0.471 0.000 1.135 616 I CB 1.051 38.469 38.000 -0.968 0.000 1.241 616 I HN -0.370 nan 8.210 nan 0.000 0.469 617 K N 4.237 124.631 120.400 -0.010 0.000 2.164 617 K HA 0.741 5.055 4.320 -0.011 0.000 0.258 617 K C -0.629 176.057 176.600 0.144 0.000 0.951 617 K CA -0.686 55.663 56.287 0.104 0.000 0.844 617 K CB 2.718 35.351 32.500 0.222 0.000 1.099 617 K HN 0.359 nan 8.250 nan 0.000 0.435 618 S N 0.557 116.393 115.700 0.227 0.000 2.569 618 S HA 0.523 4.986 4.470 -0.011 0.000 0.280 618 S C -0.851 174.003 174.600 0.423 0.000 1.111 618 S CA -0.808 57.578 58.200 0.311 0.000 0.887 618 S CB 2.005 65.470 63.200 0.442 0.000 1.095 618 S HN 0.717 nan 8.310 nan 0.000 0.476 619 T N -0.305 114.408 114.554 0.264 0.000 2.893 619 T HA 0.670 5.013 4.350 -0.011 0.000 0.291 619 T C -0.938 173.598 174.700 -0.273 0.000 1.028 619 T CA -0.793 61.414 62.100 0.178 0.000 0.995 619 T CB 1.121 70.066 68.868 0.129 0.000 1.051 619 T HN 0.316 nan 8.240 nan 0.000 0.470 620 L N 2.840 123.635 121.223 -0.714 0.000 2.315 620 L HA 0.487 4.821 4.340 -0.011 0.000 0.283 620 L C 0.428 177.139 176.870 -0.266 0.000 1.089 620 L CA -0.345 54.086 54.840 -0.683 0.000 0.833 620 L CB -0.253 41.304 42.059 -0.836 0.000 1.170 620 L HN 0.891 nan 8.230 nan 0.000 0.442 621 I N 2.346 122.801 120.570 -0.193 0.000 3.790 621 I HA 0.173 4.337 4.170 -0.011 0.000 0.305 621 I C -0.224 175.842 176.117 -0.084 0.000 1.253 621 I CA 0.254 61.493 61.300 -0.102 0.000 1.355 621 I CB 0.512 38.467 38.000 -0.075 0.000 1.137 621 I HN 0.606 nan 8.210 nan 0.000 0.435 622 D N 0.574 120.911 120.400 -0.105 0.000 2.479 622 D HA 0.139 4.773 4.640 -0.011 0.000 0.246 622 D C 0.488 176.734 176.300 -0.089 0.000 1.336 622 D CA -0.186 53.766 54.000 -0.081 0.000 0.967 622 D CB 1.242 42.000 40.800 -0.070 0.000 1.275 622 D HN -0.036 nan 8.370 nan 0.000 0.577 623 K N 2.131 122.490 120.400 -0.068 0.000 2.147 623 K HA -0.153 4.161 4.320 -0.011 0.000 0.205 623 K C 1.792 178.363 176.600 -0.049 0.000 1.049 623 K CA 1.089 57.342 56.287 -0.057 0.000 0.936 623 K CB 0.343 32.826 32.500 -0.029 0.000 0.722 623 K HN 0.447 nan 8.250 nan 0.000 0.446 624 K N 0.585 120.959 120.400 -0.044 0.000 2.044 624 K HA -0.008 4.306 4.320 -0.011 0.000 0.204 624 K C 1.427 177.998 176.600 -0.048 0.000 1.049 624 K CA 1.171 57.436 56.287 -0.037 0.000 0.945 624 K CB -0.181 32.302 32.500 -0.028 0.000 0.724 624 K HN 0.044 nan 8.250 nan 0.000 0.440 625 N N 1.719 120.382 118.700 -0.062 0.000 2.463 625 N HA 0.042 4.775 4.740 -0.011 0.000 0.181 625 N C 0.103 175.542 175.510 -0.117 0.000 1.078 625 N CA 0.403 53.406 53.050 -0.078 0.000 0.902 625 N CB -0.059 38.384 38.487 -0.074 0.000 0.970 625 N HN 0.175 nan 8.380 nan 0.000 0.451 626 L N 1.308 122.458 121.223 -0.121 0.000 3.664 626 L HA -0.163 4.170 4.340 -0.011 0.000 0.560 626 L C -0.887 175.866 176.870 -0.194 0.000 1.285 626 L CA 0.248 54.989 54.840 -0.165 0.000 0.864 626 L CB -2.216 39.727 42.059 -0.193 0.000 1.512 626 L HN 0.067 nan 8.230 nan 0.000 0.853 627 T N 0.896 115.352 114.554 -0.162 0.000 2.767 627 T HA 0.568 4.911 4.350 -0.011 0.000 0.284 627 T C 0.218 174.823 174.700 -0.158 0.000 0.973 627 T CA -0.388 61.624 62.100 -0.145 0.000 0.996 627 T CB 1.756 70.562 68.868 -0.103 0.000 0.927 627 T HN 0.314 nan 8.240 nan 0.000 0.456 628 V N 2.483 122.314 119.914 -0.138 0.000 2.513 628 V HA 0.699 4.812 4.120 -0.011 0.000 0.299 628 V C -0.117 175.953 176.094 -0.041 0.000 1.035 628 V CA -1.411 60.818 62.300 -0.120 0.000 0.889 628 V CB 1.516 33.289 31.823 -0.083 0.000 0.988 628 V HN 0.787 nan 8.190 nan 0.000 0.440 629 R N 3.039 123.523 120.500 -0.026 0.000 2.265 629 R HA 0.683 5.017 4.340 -0.011 0.000 0.314 629 R C -1.224 175.108 176.300 0.053 0.000 1.053 629 R CA -0.316 55.789 56.100 0.008 0.000 0.931 629 R CB 1.379 31.678 30.300 -0.001 0.000 1.024 629 R HN 0.771 nan 8.270 nan 0.000 0.457 630 V N 5.073 125.019 119.914 0.053 0.000 2.384 630 V HA 0.287 4.401 4.120 -0.011 0.000 0.287 630 V C -0.449 175.619 176.094 -0.043 0.000 1.020 630 V CA -0.783 61.553 62.300 0.061 0.000 0.850 630 V CB 1.331 33.236 31.823 0.136 0.000 0.987 630 V HN 0.656 nan 8.190 nan 0.000 0.436 631 K N 4.056 124.399 120.400 -0.096 0.000 2.213 631 K HA 0.395 4.708 4.320 -0.011 0.000 0.270 631 K C -0.238 176.149 176.600 -0.355 0.000 1.002 631 K CA -0.199 55.927 56.287 -0.268 0.000 0.868 631 K CB 0.920 33.219 32.500 -0.336 0.000 1.093 631 K HN 0.593 nan 8.250 nan 0.000 0.454 632 N N 4.563 123.042 118.700 -0.368 0.000 2.558 632 N HA 0.131 4.864 4.740 -0.011 0.000 0.233 632 N C -0.683 174.668 175.510 -0.264 0.000 1.038 632 N CA -0.469 52.437 53.050 -0.241 0.000 0.934 632 N CB 0.120 38.561 38.487 -0.077 0.000 1.175 632 N HN 0.730 nan 8.380 nan 0.000 0.512 633 W N 2.459 123.644 121.300 -0.192 0.000 3.180 633 W HA 0.245 4.899 4.660 -0.011 0.000 0.254 633 W C 0.007 176.433 176.519 -0.155 0.000 1.318 633 W CA -0.639 56.584 57.345 -0.204 0.000 1.608 633 W CB 0.042 29.349 29.460 -0.256 0.000 1.124 633 W HN 0.354 nan 8.180 nan 0.000 0.694 634 F N 1.614 121.641 119.950 0.128 0.000 2.496 634 F HA -0.056 4.464 4.527 -0.011 0.000 0.344 634 F C 1.569 177.423 175.800 0.089 0.000 1.155 634 F CA 0.376 58.426 58.000 0.085 0.000 1.302 634 F CB 0.522 39.542 39.000 0.033 0.000 1.159 634 F HN -0.114 nan 8.300 nan 0.000 0.595 635 D N 0.998 121.502 120.400 0.174 0.000 2.355 635 D HA 0.005 4.638 4.640 -0.011 0.000 0.206 635 D C 0.622 176.354 176.300 -0.947 0.000 1.010 635 D CA 1.188 54.936 54.000 -0.420 0.000 0.875 635 D CB 0.266 40.694 40.800 -0.619 0.000 0.966 635 D HN 0.376 nan 8.370 nan 0.000 0.512 636 F N 0.035 120.059 119.950 0.125 0.000 2.944 636 F HA 0.232 4.752 4.527 -0.011 0.000 0.332 636 F C 0.018 175.880 175.800 0.103 0.000 1.215 636 F CA -0.416 57.633 58.000 0.081 0.000 1.079 636 F CB 0.601 39.659 39.000 0.097 0.000 1.272 636 F HN -0.362 nan 8.300 nan 0.000 0.509 637 S N 0.426 116.207 115.700 0.136 0.000 2.521 637 S HA 0.259 4.723 4.470 -0.011 0.000 0.295 637 S C -1.032 173.579 174.600 0.019 0.000 1.098 637 S CA -0.756 57.457 58.200 0.022 0.000 0.999 637 S CB 2.221 65.172 63.200 -0.414 0.000 1.034 637 S HN 0.162 nan 8.310 nan 0.000 0.483 638 D N 1.400 121.825 120.400 0.043 0.000 2.313 638 D HA 0.216 4.849 4.640 -0.011 0.000 0.247 638 D C 0.920 177.284 176.300 0.106 0.000 1.094 638 D CA -0.420 53.617 54.000 0.061 0.000 0.925 638 D CB 0.971 41.798 40.800 0.045 0.000 1.188 638 D HN 0.438 nan 8.370 nan 0.000 0.430 639 L N 2.518 123.815 121.223 0.124 0.000 2.456 639 L HA -0.182 4.151 4.340 -0.011 0.000 0.224 639 L C 1.688 178.703 176.870 0.243 0.000 1.148 639 L CA 0.423 55.377 54.840 0.190 0.000 0.825 639 L CB -0.669 41.436 42.059 0.078 0.000 0.937 639 L HN 0.448 nan 8.230 nan 0.000 0.450 640 N N -0.096 118.693 118.700 0.148 0.000 2.635 640 N HA -0.202 4.532 4.740 -0.011 0.000 0.191 640 N C 1.115 176.665 175.510 0.067 0.000 1.155 640 N CA 0.807 53.925 53.050 0.113 0.000 0.927 640 N CB -0.331 38.196 38.487 0.067 0.000 0.976 640 N HN 0.414 nan 8.380 nan 0.000 0.448 641 E N -1.506 118.723 120.200 0.049 0.000 2.478 641 E HA 0.057 4.400 4.350 -0.011 0.000 0.194 641 E C -0.433 175.946 176.600 -0.367 0.000 1.045 641 E CA 0.202 56.489 56.400 -0.188 0.000 0.868 641 E CB 0.110 29.613 29.700 -0.329 0.000 0.885 641 E HN 0.437 nan 8.360 nan 0.000 0.505 642 Y N -0.432 119.945 120.300 0.130 0.000 2.675 642 Y HA 0.442 4.986 4.550 -0.011 0.000 0.328 642 Y C 0.112 176.152 175.900 0.233 0.000 1.092 642 Y CA -1.226 57.007 58.100 0.222 0.000 1.190 642 Y CB 1.349 40.004 38.460 0.324 0.000 1.350 642 Y HN -0.211 nan 8.280 nan 0.000 0.525 643 I N 2.573 123.374 120.570 0.385 0.000 2.512 643 I HA 0.190 4.353 4.170 -0.011 0.000 0.287 643 I C -1.305 174.689 176.117 -0.205 0.000 1.069 643 I CA -0.680 60.661 61.300 0.070 0.000 1.056 643 I CB 1.546 39.504 38.000 -0.072 0.000 1.229 643 I HN 0.353 nan 8.210 nan 0.000 0.429 644 L N 7.277 128.252 121.223 -0.413 0.000 2.331 644 L HA 0.383 4.716 4.340 -0.011 0.000 0.278 644 L C -0.455 176.044 176.870 -0.618 0.000 1.106 644 L CA 0.541 54.836 54.840 -0.909 0.000 0.824 644 L CB 0.188 41.601 42.059 -1.076 0.000 1.142 644 L HN 0.385 nan 8.230 nan 0.000 0.443 645 H N 5.837 124.769 119.070 -0.231 0.000 2.466 645 H HA 0.400 4.949 4.556 -0.011 0.000 0.338 645 H C -0.945 174.344 175.328 -0.065 0.000 1.091 645 H CA -0.467 55.498 56.048 -0.138 0.000 1.207 645 H CB 0.817 30.508 29.762 -0.118 0.000 1.466 645 H HN 0.756 nan 8.280 nan 0.000 0.493 646 W N 2.215 123.508 121.300 -0.012 0.000 2.882 646 W HA 0.653 5.306 4.660 -0.011 0.000 0.345 646 W C -1.238 175.296 176.519 0.025 0.000 1.125 646 W CA -1.187 56.153 57.345 -0.008 0.000 1.167 646 W CB 2.033 31.476 29.460 -0.029 0.000 1.431 646 W HN 0.588 nan 8.180 nan 0.000 0.543 647 K N 0.376 120.932 120.400 0.259 0.000 2.589 647 K HA 0.509 4.822 4.320 -0.011 0.000 0.265 647 K C -2.503 174.246 176.600 0.248 0.000 0.935 647 K CA -0.726 55.608 56.287 0.079 0.000 0.850 647 K CB 1.857 34.308 32.500 -0.082 0.000 1.372 647 K HN 0.313 nan 8.250 nan 0.000 0.420 648 V N 2.087 122.141 119.914 0.233 0.000 2.472 648 V HA 0.571 4.685 4.120 -0.011 0.000 0.290 648 V C -0.580 175.592 176.094 0.130 0.000 1.037 648 V CA -0.220 62.205 62.300 0.208 0.000 0.908 648 V CB 1.762 33.716 31.823 0.217 0.000 0.985 648 V HN 0.928 nan 8.190 nan 0.000 0.454 649 T N 2.839 117.475 114.554 0.137 0.000 2.933 649 T HA 0.598 4.941 4.350 -0.011 0.000 0.305 649 T C 0.071 174.838 174.700 0.111 0.000 1.092 649 T CA -0.374 61.801 62.100 0.126 0.000 1.008 649 T CB 1.829 70.790 68.868 0.155 0.000 1.102 649 T HN 0.952 nan 8.240 nan 0.000 0.469 650 G N 0.440 109.292 108.800 0.087 0.000 2.437 650 G HA2 0.392 4.345 3.960 -0.011 0.000 0.319 650 G HA3 0.392 4.345 3.960 -0.011 0.000 0.319 650 G C 0.908 175.911 174.900 0.170 0.000 1.158 650 G CA -0.666 44.470 45.100 0.061 0.000 0.899 650 G HN 0.847 nan 8.290 nan 0.000 0.502 651 D N 0.453 120.981 120.400 0.213 0.000 2.357 651 D HA -0.180 4.453 4.640 -0.011 0.000 0.216 651 D C 0.923 177.410 176.300 0.312 0.000 0.973 651 D CA 1.282 55.512 54.000 0.382 0.000 0.912 651 D CB 0.022 41.151 40.800 0.549 0.000 0.900 651 D HN 0.495 nan 8.370 nan 0.000 0.501 652 D N -0.117 120.412 120.400 0.214 0.000 2.354 652 D HA 0.062 4.696 4.640 -0.011 0.000 0.209 652 D C 1.513 177.882 176.300 0.115 0.000 1.015 652 D CA 0.753 54.853 54.000 0.166 0.000 0.867 652 D CB -0.312 40.556 40.800 0.114 0.000 0.933 652 D HN 0.335 nan 8.370 nan 0.000 0.520 653 G N -0.036 108.825 108.800 0.101 0.000 2.255 653 G HA2 -0.180 3.773 3.960 -0.011 0.000 0.239 653 G HA3 -0.180 3.773 3.960 -0.011 0.000 0.239 653 G C -0.192 174.727 174.900 0.032 0.000 1.083 653 G CA 0.147 45.274 45.100 0.045 0.000 0.826 653 G HN 0.398 nan 8.290 nan 0.000 0.493 654 T N 0.502 115.084 114.554 0.045 0.000 2.815 654 T HA 0.496 4.839 4.350 -0.011 0.000 0.289 654 T C 0.518 175.235 174.700 0.027 0.000 1.000 654 T CA -0.453 61.664 62.100 0.028 0.000 0.958 654 T CB 2.091 70.977 68.868 0.030 0.000 0.944 654 T HN 0.579 nan 8.240 nan 0.000 0.442 655 V N 5.830 125.749 119.914 0.009 0.000 2.529 655 V HA 0.117 4.231 4.120 -0.011 0.000 0.292 655 V C 1.212 177.310 176.094 0.007 0.000 1.028 655 V CA 0.292 62.594 62.300 0.002 0.000 1.074 655 V CB 0.240 32.044 31.823 -0.032 0.000 0.958 655 V HN 0.837 nan 8.190 nan 0.000 0.481 656 L N 3.698 124.938 121.223 0.027 0.000 2.388 656 L HA 0.525 4.858 4.340 -0.011 0.000 0.209 656 L C 0.939 177.836 176.870 0.045 0.000 1.061 656 L CA 0.774 55.637 54.840 0.037 0.000 0.834 656 L CB 0.004 42.094 42.059 0.052 0.000 1.029 656 L HN 0.721 nan 8.230 nan 0.000 0.473 657 A N 0.802 123.658 122.820 0.060 0.000 2.455 657 A HA 0.676 4.989 4.320 -0.011 0.000 0.300 657 A C -1.223 176.236 177.584 -0.209 0.000 1.040 657 A CA -0.395 51.673 52.037 0.051 0.000 0.697 657 A CB 1.373 20.556 19.000 0.305 0.000 1.265 657 A HN 0.230 nan 8.150 nan 0.000 0.407 658 E N 1.000 120.871 120.200 -0.549 0.000 2.390 658 E HA 0.787 5.130 4.350 -0.011 0.000 0.277 658 E C -0.240 175.637 176.600 -1.203 0.000 0.939 658 E CA -0.818 55.002 56.400 -0.966 0.000 0.769 658 E CB 2.158 31.575 29.700 -0.471 0.000 1.251 658 E HN 1.386 nan 8.360 nan 0.000 0.450 659 G N 0.848 108.701 108.800 -1.579 0.000 2.576 659 G HA2 0.419 4.373 3.960 -0.011 0.000 0.290 659 G HA3 0.419 4.373 3.960 -0.011 0.000 0.290 659 G C -1.705 172.898 174.900 -0.495 0.000 1.442 659 G CA -1.032 43.583 45.100 -0.810 0.000 0.792 659 G HN 0.540 nan 8.290 nan 0.000 0.491 660 N N -0.409 118.253 118.700 -0.063 0.000 2.404 660 N HA 0.713 5.446 4.740 -0.011 0.000 0.297 660 N C -0.792 174.800 175.510 0.137 0.000 1.163 660 N CA -0.714 52.368 53.050 0.052 0.000 0.864 660 N CB 2.176 40.714 38.487 0.084 0.000 1.247 660 N HN 0.360 nan 8.380 nan 0.000 0.510 661 K N 0.529 120.974 120.400 0.074 0.000 2.532 661 K HA 0.341 4.655 4.320 -0.011 0.000 0.265 661 K C -1.847 174.782 176.600 0.048 0.000 0.948 661 K CA -0.497 55.843 56.287 0.089 0.000 0.842 661 K CB 1.707 34.265 32.500 0.098 0.000 1.392 661 K HN 0.444 nan 8.250 nan 0.000 0.436 662 E N 1.996 122.247 120.200 0.085 0.000 2.279 662 E HA 0.339 4.682 4.350 -0.011 0.000 0.252 662 E C -1.112 175.572 176.600 0.140 0.000 0.894 662 E CA -0.854 55.617 56.400 0.119 0.000 0.785 662 E CB 1.904 31.660 29.700 0.093 0.000 1.237 662 E HN 0.178 nan 8.360 nan 0.000 0.418 663 V N 1.612 121.654 119.914 0.213 0.000 2.547 663 V HA 0.618 4.732 4.120 -0.011 0.000 0.299 663 V C 0.105 176.300 176.094 0.168 0.000 1.040 663 V CA -0.858 61.557 62.300 0.192 0.000 0.913 663 V CB 1.645 33.624 31.823 0.261 0.000 0.992 663 V HN 0.730 nan 8.190 nan 0.000 0.449 664 A N 3.033 125.920 122.820 0.112 0.000 2.290 664 A HA 0.746 5.059 4.320 -0.011 0.000 0.310 664 A C -0.398 177.227 177.584 0.069 0.000 1.202 664 A CA -0.348 51.740 52.037 0.085 0.000 0.837 664 A CB 0.810 19.845 19.000 0.058 0.000 1.139 664 A HN 1.168 nan 8.150 nan 0.000 0.509 665 C N 2.623 121.958 119.300 0.058 0.000 3.046 665 C HA 0.450 4.903 4.460 -0.011 0.000 0.388 665 C C -0.712 174.294 174.990 0.026 0.000 1.041 665 C CA -0.626 58.411 59.018 0.032 0.000 1.241 665 C CB 0.639 28.392 27.740 0.021 0.000 1.638 665 C HN 0.970 nan 8.230 nan 0.000 0.539 666 E N 4.260 124.465 120.200 0.008 0.000 2.349 666 E HA 0.283 4.626 4.350 -0.011 0.000 0.265 666 E C -2.289 174.311 176.600 0.001 0.000 1.064 666 E CA -1.393 55.010 56.400 0.003 0.000 0.886 666 E CB 0.638 30.330 29.700 -0.012 0.000 1.036 666 E HN 0.451 nan 8.360 nan 0.000 0.413 667 P HA -0.148 nan 4.420 nan 0.000 0.261 667 P C -0.380 176.951 177.300 0.051 0.000 1.165 667 P CA 1.131 64.247 63.100 0.028 0.000 0.759 667 P CB 0.097 31.722 31.700 -0.125 0.000 0.772 668 H N -1.338 117.626 119.070 -0.176 0.000 4.123 668 H HA -0.232 4.317 4.556 -0.011 0.000 0.146 668 H C 0.531 175.695 175.328 -0.274 0.000 0.800 668 H CA 0.458 56.343 56.048 -0.271 0.000 1.256 668 H CB -1.414 28.249 29.762 -0.165 0.000 0.848 668 H HN 0.614 nan 8.280 nan 0.000 0.462 669 A N 1.434 124.212 122.820 -0.070 0.000 2.271 669 A HA 0.575 4.888 4.320 -0.011 0.000 0.288 669 A C 0.622 178.126 177.584 -0.134 0.000 1.094 669 A CA 0.319 52.303 52.037 -0.088 0.000 0.828 669 A CB 0.874 19.846 19.000 -0.046 0.000 1.091 669 A HN 0.208 nan 8.150 nan 0.000 0.493 670 T N -0.322 114.168 114.554 -0.108 0.000 2.950 670 T HA 0.631 4.974 4.350 -0.011 0.000 0.288 670 T C -0.954 173.718 174.700 -0.048 0.000 1.035 670 T CA -0.402 61.638 62.100 -0.099 0.000 1.028 670 T CB 1.543 70.353 68.868 -0.097 0.000 1.109 670 T HN 1.069 nan 8.240 nan 0.000 0.514 671 V N 1.025 120.923 119.914 -0.026 0.000 3.000 671 V HA 0.448 4.561 4.120 -0.011 0.000 0.300 671 V C -1.533 174.570 176.094 0.015 0.000 1.251 671 V CA -0.666 61.635 62.300 0.002 0.000 0.972 671 V CB 2.324 34.161 31.823 0.022 0.000 1.065 671 V HN 0.934 nan 8.190 nan 0.000 0.431 672 E N 3.571 123.776 120.200 0.009 0.000 2.222 672 E HA 0.752 5.095 4.350 -0.011 0.000 0.272 672 E C -1.553 175.049 176.600 0.003 0.000 0.982 672 E CA -0.746 55.654 56.400 0.001 0.000 0.842 672 E CB 2.285 31.977 29.700 -0.015 0.000 1.144 672 E HN 0.457 nan 8.360 nan 0.000 0.397 673 L N 1.194 122.407 121.223 -0.016 0.000 2.543 673 L HA 0.338 4.671 4.340 -0.011 0.000 0.265 673 L C -1.340 175.478 176.870 -0.086 0.000 0.945 673 L CA -0.090 54.732 54.840 -0.030 0.000 0.869 673 L CB 2.155 44.217 42.059 0.005 0.000 1.294 673 L HN 0.423 nan 8.230 nan 0.000 0.405 674 T N 5.926 120.419 114.554 -0.102 0.000 2.767 674 T HA 0.445 4.789 4.350 -0.011 0.000 0.284 674 T C 1.332 175.900 174.700 -0.221 0.000 0.973 674 T CA -0.278 61.738 62.100 -0.140 0.000 0.996 674 T CB 0.916 69.725 68.868 -0.099 0.000 0.927 674 T HN 0.608 nan 8.240 nan 0.000 0.456 675 L N 2.397 123.423 121.223 -0.327 0.000 2.249 675 L HA 0.357 4.690 4.340 -0.011 0.000 0.207 675 L C 1.314 177.930 176.870 -0.423 0.000 1.090 675 L CA 0.143 54.640 54.840 -0.571 0.000 0.802 675 L CB -0.294 41.223 42.059 -0.903 0.000 0.947 675 L HN 0.908 nan 8.230 nan 0.000 0.453 676 G N -0.210 108.437 108.800 -0.254 0.000 2.592 676 G HA2 0.134 4.088 3.960 -0.011 0.000 0.685 676 G HA3 0.134 4.088 3.960 -0.011 0.000 0.685 676 G C -0.555 174.283 174.900 -0.103 0.000 1.278 676 G CA -0.634 44.383 45.100 -0.139 0.000 0.822 676 G HN 0.282 nan 8.290 nan 0.000 0.652 677 A N -0.073 122.715 122.820 -0.053 0.000 2.425 677 A HA 0.729 5.042 4.320 -0.011 0.000 0.242 677 A C 0.505 178.090 177.584 0.002 0.000 1.077 677 A CA 0.510 52.529 52.037 -0.030 0.000 0.781 677 A CB 0.840 19.829 19.000 -0.019 0.000 1.020 677 A HN 2.007 nan 8.150 nan 0.000 0.494 678 V N 2.597 122.522 119.914 0.017 0.000 2.668 678 V HA 0.220 4.334 4.120 -0.011 0.000 0.304 678 V C -0.533 175.582 176.094 0.035 0.000 1.071 678 V CA -0.739 61.591 62.300 0.050 0.000 0.894 678 V CB 1.829 33.706 31.823 0.091 0.000 1.008 678 V HN 0.930 nan 8.190 nan 0.000 0.425 679 Q N 4.359 124.179 119.800 0.034 0.000 2.323 679 Q HA 0.417 4.750 4.340 -0.011 0.000 0.257 679 Q C -0.737 175.275 176.000 0.021 0.000 1.022 679 Q CA -0.080 55.736 55.803 0.022 0.000 0.919 679 Q CB 1.335 30.084 28.738 0.018 0.000 1.220 679 Q HN 0.577 nan 8.270 nan 0.000 0.427 680 L N 5.523 126.754 121.223 0.013 0.000 2.331 680 L HA 0.286 4.620 4.340 -0.011 0.000 0.278 680 L C -1.776 175.097 176.870 0.005 0.000 1.106 680 L CA -1.798 53.047 54.840 0.009 0.000 0.824 680 L CB 0.121 42.179 42.059 -0.001 0.000 1.142 680 L HN 0.299 nan 8.230 nan 0.000 0.443 681 P HA 0.028 nan 4.420 nan 0.000 0.272 681 P C 0.038 177.336 177.300 -0.004 0.000 1.248 681 P CA -0.347 62.755 63.100 0.003 0.000 0.799 681 P CB 0.501 32.205 31.700 0.007 0.000 0.997 682 K N -1.442 118.953 120.400 -0.007 0.000 2.356 682 K HA -0.016 4.298 4.320 -0.011 0.000 0.195 682 K C 1.503 178.092 176.600 -0.018 0.000 1.037 682 K CA 0.914 57.193 56.287 -0.014 0.000 1.014 682 K CB -0.740 31.751 32.500 -0.014 0.000 0.815 682 K HN 0.411 nan 8.250 nan 0.000 0.507 683 T N 0.708 115.255 114.554 -0.012 0.000 2.995 683 T HA -0.003 4.341 4.350 -0.011 0.000 0.269 683 T C 0.856 175.554 174.700 -0.003 0.000 1.091 683 T CA -0.030 62.063 62.100 -0.012 0.000 1.128 683 T CB -0.741 68.123 68.868 -0.007 0.000 0.891 683 T HN 0.385 nan 8.240 nan 0.000 0.492 684 I N -0.811 119.761 120.570 0.005 0.000 2.428 684 I HA 0.547 4.710 4.170 -0.011 0.000 0.289 684 I C 1.363 177.479 176.117 -0.001 0.000 1.019 684 I CA -0.973 60.342 61.300 0.025 0.000 1.351 684 I CB 1.351 39.371 38.000 0.034 0.000 1.412 684 I HN -0.121 nan 8.210 nan 0.000 0.513 685 R N 3.706 124.214 120.500 0.014 0.000 2.140 685 R HA 0.186 4.520 4.340 -0.011 0.000 0.213 685 R C -0.106 176.179 176.300 -0.025 0.000 1.059 685 R CA 0.923 56.971 56.100 -0.086 0.000 1.000 685 R CB 0.340 30.449 30.300 -0.318 0.000 0.910 685 R HN 0.921 nan 8.270 nan 0.000 0.455 686 E N -1.254 118.995 120.200 0.081 0.000 2.430 686 E HA 0.634 4.977 4.350 -0.011 0.000 0.279 686 E C -1.838 174.584 176.600 -0.297 0.000 1.003 686 E CA -1.248 55.122 56.400 -0.050 0.000 0.801 686 E CB 1.660 31.383 29.700 0.037 0.000 1.313 686 E HN 0.091 nan 8.360 nan 0.000 0.459 687 A N 0.899 123.449 122.820 -0.450 0.000 2.454 687 A HA 0.709 5.023 4.320 -0.011 0.000 0.302 687 A C -1.869 175.310 177.584 -0.676 0.000 1.079 687 A CA -0.732 50.988 52.037 -0.528 0.000 0.731 687 A CB 0.895 19.801 19.000 -0.157 0.000 1.299 687 A HN 0.514 nan 8.150 nan 0.000 0.413 688 Y N 0.256 120.622 120.300 0.110 0.000 2.409 688 Y HA 0.568 5.112 4.550 -0.011 0.000 0.343 688 Y C -0.266 175.724 175.900 0.150 0.000 0.973 688 Y CA -0.947 57.225 58.100 0.120 0.000 1.064 688 Y CB 1.873 40.378 38.460 0.075 0.000 1.207 688 Y HN 0.603 nan 8.280 nan 0.000 0.452 689 L N 4.401 125.825 121.223 0.335 0.000 2.262 689 L HA 0.513 4.847 4.340 -0.011 0.000 0.288 689 L C -0.873 176.210 176.870 0.354 0.000 1.035 689 L CA -0.060 54.983 54.840 0.338 0.000 0.820 689 L CB 0.415 42.673 42.059 0.333 0.000 1.204 689 L HN 0.564 nan 8.230 nan 0.000 0.424 690 D N 6.184 126.755 120.400 0.285 0.000 2.193 690 D HA 0.390 5.023 4.640 -0.011 0.000 0.244 690 D C -0.755 175.694 176.300 0.248 0.000 1.064 690 D CA -0.173 53.959 54.000 0.220 0.000 0.845 690 D CB 2.191 43.074 40.800 0.139 0.000 1.148 690 D HN 0.491 nan 8.370 nan 0.000 0.464 691 L N 1.679 123.042 121.223 0.234 0.000 2.333 691 L HA 0.578 4.911 4.340 -0.011 0.000 0.280 691 L C 0.501 177.453 176.870 0.137 0.000 1.004 691 L CA -0.735 54.213 54.840 0.180 0.000 0.820 691 L CB 2.101 44.310 42.059 0.249 0.000 1.247 691 L HN 0.332 nan 8.230 nan 0.000 0.416 692 G N 1.886 110.700 108.800 0.023 0.000 2.542 692 G HA2 0.621 4.574 3.960 -0.011 0.000 0.311 692 G HA3 0.621 4.574 3.960 -0.011 0.000 0.311 692 G C -2.222 172.653 174.900 -0.041 0.000 1.298 692 G CA -0.357 44.804 45.100 0.103 0.000 0.973 692 G HN 0.448 nan 8.290 nan 0.000 0.487 693 W N 0.870 122.267 121.300 0.162 0.000 2.632 693 W HA 0.654 5.307 4.660 -0.011 0.000 0.328 693 W C 0.377 177.024 176.519 0.212 0.000 1.044 693 W CA -0.567 56.859 57.345 0.134 0.000 1.225 693 W CB 2.502 32.017 29.460 0.090 0.000 1.396 693 W HN 0.722 nan 8.180 nan 0.000 0.499 694 T N -0.823 114.020 114.554 0.480 0.000 2.901 694 T HA 0.715 5.059 4.350 -0.011 0.000 0.293 694 T C -0.446 174.552 174.700 0.497 0.000 1.084 694 T CA -1.408 60.974 62.100 0.469 0.000 1.008 694 T CB 1.612 70.721 68.868 0.402 0.000 1.170 694 T HN 0.511 nan 8.240 nan 0.000 0.509 695 R N 1.151 121.854 120.500 0.339 0.000 2.459 695 R HA 0.484 4.817 4.340 -0.011 0.000 0.281 695 R C 0.516 176.816 176.300 0.000 0.000 1.050 695 R CA -0.917 55.177 56.100 -0.010 0.000 1.055 695 R CB 1.108 31.336 30.300 -0.121 0.000 1.045 695 R HN 0.694 nan 8.270 nan 0.000 0.495 696 K N 1.074 121.416 120.400 -0.096 0.000 2.103 696 K HA -0.048 4.265 4.320 -0.011 0.000 0.204 696 K C 0.082 176.665 176.600 -0.028 0.000 1.052 696 K CA 1.377 57.644 56.287 -0.033 0.000 0.945 696 K CB 0.170 32.639 32.500 -0.052 0.000 0.722 696 K HN 0.426 nan 8.250 nan 0.000 0.443 697 K N 0.960 121.321 120.400 -0.065 0.000 2.292 697 K HA 0.158 4.471 4.320 -0.011 0.000 0.257 697 K C -0.573 176.014 176.600 -0.022 0.000 0.940 697 K CA -0.526 55.739 56.287 -0.036 0.000 0.811 697 K CB 2.044 34.518 32.500 -0.043 0.000 1.120 697 K HN 0.034 nan 8.250 nan 0.000 0.428 698 S N 0.879 116.580 115.700 0.002 0.000 2.584 698 S HA 0.133 4.596 4.470 -0.011 0.000 0.270 698 S C 0.475 175.075 174.600 0.001 0.000 1.346 698 S CA -0.582 57.624 58.200 0.009 0.000 1.018 698 S CB 0.773 63.979 63.200 0.011 0.000 0.899 698 S HN 0.652 nan 8.310 nan 0.000 0.542 699 T N -2.064 112.487 114.554 -0.005 0.000 2.937 699 T HA 0.574 4.917 4.350 -0.011 0.000 0.283 699 T C -2.468 172.218 174.700 -0.024 0.000 1.012 699 T CA -2.033 60.065 62.100 -0.002 0.000 0.997 699 T CB 0.813 69.677 68.868 -0.007 0.000 1.136 699 T HN 0.360 nan 8.240 nan 0.000 0.551 700 P HA 0.268 nan 4.420 nan 0.000 0.242 700 P C 0.757 177.962 177.300 -0.157 0.000 1.197 700 P CA 0.411 63.485 63.100 -0.043 0.000 0.765 700 P CB -0.074 31.653 31.700 0.045 0.000 0.936 701 L N -2.834 118.264 121.223 -0.208 0.000 2.642 701 L HA 0.188 4.521 4.340 -0.011 0.000 0.233 701 L C 0.183 176.893 176.870 -0.266 0.000 1.077 701 L CA 0.125 54.794 54.840 -0.286 0.000 0.879 701 L CB 0.617 42.447 42.059 -0.382 0.000 1.151 701 L HN -0.331 nan 8.230 nan 0.000 0.495 702 V N 0.944 120.747 119.914 -0.184 0.000 2.488 702 V HA 0.196 4.309 4.120 -0.011 0.000 0.293 702 V C -0.920 175.150 176.094 -0.041 0.000 1.027 702 V CA -1.081 61.112 62.300 -0.178 0.000 0.862 702 V CB 1.658 33.434 31.823 -0.080 0.000 1.008 702 V HN 0.180 nan 8.190 nan 0.000 0.428 703 D N 2.635 123.028 120.400 -0.013 0.000 2.414 703 D HA 0.134 4.767 4.640 -0.011 0.000 0.251 703 D C 1.276 177.660 176.300 0.138 0.000 1.252 703 D CA 0.250 54.283 54.000 0.055 0.000 0.999 703 D CB 0.683 41.511 40.800 0.047 0.000 1.093 703 D HN 0.551 nan 8.370 nan 0.000 0.515 704 T N -4.524 110.101 114.554 0.119 0.000 3.169 704 T HA 0.363 4.707 4.350 -0.011 0.000 0.250 704 T C 1.134 175.941 174.700 0.177 0.000 1.111 704 T CA 0.121 62.306 62.100 0.143 0.000 1.010 704 T CB -0.316 68.611 68.868 0.098 0.000 0.984 704 T HN 0.515 nan 8.240 nan 0.000 0.537 705 A N 0.125 123.058 122.820 0.188 0.000 2.431 705 A HA 0.319 4.632 4.320 -0.011 0.000 0.239 705 A C 0.403 178.120 177.584 0.221 0.000 1.230 705 A CA -0.787 51.347 52.037 0.163 0.000 0.928 705 A CB -0.193 18.874 19.000 0.110 0.000 1.006 705 A HN 0.748 nan 8.150 nan 0.000 0.520 706 W N 1.721 123.065 121.300 0.074 0.000 2.335 706 W HA 0.287 4.940 4.660 -0.011 0.000 0.306 706 W C -0.685 175.902 176.519 0.113 0.000 1.216 706 W CA -0.252 57.130 57.345 0.063 0.000 1.237 706 W CB 0.391 29.878 29.460 0.044 0.000 1.243 706 W HN 0.278 nan 8.180 nan 0.000 0.493 707 E N 5.660 125.605 120.200 -0.425 0.000 1.985 707 E HA -0.052 4.291 4.350 -0.011 0.000 0.268 707 E C 1.228 177.696 176.600 -0.220 0.000 1.219 707 E CA -0.186 56.075 56.400 -0.230 0.000 0.942 707 E CB 0.250 29.787 29.700 -0.272 0.000 1.045 707 E HN 0.610 nan 8.360 nan 0.000 0.413 708 I N 1.812 122.439 120.570 0.095 0.000 3.111 708 I HA 0.221 4.384 4.170 -0.011 0.000 0.272 708 I C 0.363 176.555 176.117 0.126 0.000 1.268 708 I CA 0.235 61.634 61.300 0.166 0.000 1.467 708 I CB 0.463 38.661 38.000 0.331 0.000 1.087 708 I HN 0.222 nan 8.210 nan 0.000 0.467 709 A N 0.189 123.130 122.820 0.203 0.000 2.532 709 A HA 0.689 5.002 4.320 -0.011 0.000 0.296 709 A C -1.202 176.634 177.584 0.419 0.000 1.058 709 A CA -0.586 51.561 52.037 0.183 0.000 0.729 709 A CB 0.368 19.353 19.000 -0.024 0.000 1.285 709 A HN 0.417 nan 8.150 nan 0.000 0.396 710 Y N -0.479 119.897 120.300 0.127 0.000 2.677 710 Y HA 0.948 5.492 4.550 -0.011 0.000 0.334 710 Y C -1.128 174.819 175.900 0.079 0.000 1.154 710 Y CA -1.199 56.985 58.100 0.140 0.000 1.070 710 Y CB 1.525 40.013 38.460 0.047 0.000 1.294 710 Y HN 0.443 nan 8.280 nan 0.000 0.475 711 D N 0.772 121.273 120.400 0.168 0.000 2.836 711 D HA 0.191 4.824 4.640 -0.011 0.000 0.215 711 D C -1.916 174.272 176.300 -0.187 0.000 1.255 711 D CA -0.492 53.438 54.000 -0.117 0.000 0.822 711 D CB 2.718 43.495 40.800 -0.039 0.000 1.656 711 D HN 0.726 nan 8.370 nan 0.000 0.511 712 Q N 1.614 121.162 119.800 -0.419 0.000 2.394 712 Q HA 0.666 5.000 4.340 -0.011 0.000 0.273 712 Q C -1.550 174.117 176.000 -0.555 0.000 1.089 712 Q CA -0.651 54.981 55.803 -0.285 0.000 0.812 712 Q CB 1.781 30.492 28.738 -0.046 0.000 1.353 712 Q HN 0.311 nan 8.270 nan 0.000 0.438 713 F N 0.958 121.006 119.950 0.164 0.000 2.556 713 F HA 0.430 4.951 4.527 -0.011 0.000 0.314 713 F C -0.515 175.395 175.800 0.183 0.000 1.106 713 F CA -0.954 57.134 58.000 0.146 0.000 0.911 713 F CB 1.826 40.893 39.000 0.110 0.000 1.190 713 F HN 0.189 nan 8.300 nan 0.000 0.448 714 V N 4.349 124.471 119.914 0.346 0.000 2.461 714 V HA 0.293 4.406 4.120 -0.011 0.000 0.275 714 V C -0.109 176.085 176.094 0.167 0.000 1.047 714 V CA -0.493 61.977 62.300 0.283 0.000 0.955 714 V CB 1.074 33.055 31.823 0.263 0.000 0.988 714 V HN 0.517 nan 8.190 nan 0.000 0.471 715 L N 7.628 128.888 121.223 0.063 0.000 2.301 715 L HA 0.425 4.758 4.340 -0.011 0.000 0.278 715 L C -2.472 174.387 176.870 -0.018 0.000 1.022 715 L CA -1.752 53.100 54.840 0.021 0.000 0.854 715 L CB 1.572 43.634 42.059 0.006 0.000 1.226 715 L HN 0.418 nan 8.230 nan 0.000 0.429 716 P HA 0.183 nan 4.420 nan 0.000 0.268 716 P C -0.497 176.796 177.300 -0.011 0.000 1.205 716 P CA 0.096 63.202 63.100 0.011 0.000 0.771 716 P CB 1.207 32.923 31.700 0.027 0.000 0.858 717 A N 1.960 124.766 122.820 -0.023 0.000 2.443 717 A HA 0.597 4.911 4.320 -0.011 0.000 0.278 717 A C 0.908 178.469 177.584 -0.038 0.000 1.252 717 A CA -0.205 51.814 52.037 -0.029 0.000 0.816 717 A CB 0.632 19.612 19.000 -0.033 0.000 1.369 717 A HN 0.312 nan 8.150 nan 0.000 0.446 718 S N -0.456 115.221 115.700 -0.038 0.000 2.517 718 S HA 0.226 4.689 4.470 -0.011 0.000 0.214 718 S C 1.121 175.685 174.600 -0.061 0.000 0.991 718 S CA 0.383 58.557 58.200 -0.042 0.000 0.906 718 S CB -0.098 63.084 63.200 -0.029 0.000 0.789 718 S HN 1.204 nan 8.310 nan 0.000 0.513 719 G N 1.567 110.325 108.800 -0.070 0.000 2.391 719 G HA2 0.107 4.060 3.960 -0.011 0.000 0.234 719 G HA3 0.107 4.060 3.960 -0.011 0.000 0.234 719 G C 0.600 175.415 174.900 -0.141 0.000 1.284 719 G CA -0.143 44.903 45.100 -0.091 0.000 0.873 719 G HN 0.051 nan 8.290 nan 0.000 0.549 720 K N 0.166 120.488 120.400 -0.130 0.000 2.323 720 K HA 0.157 4.471 4.320 -0.011 0.000 0.197 720 K C 0.727 177.196 176.600 -0.218 0.000 1.043 720 K CA 0.042 56.240 56.287 -0.148 0.000 0.997 720 K CB 0.389 32.836 32.500 -0.088 0.000 0.807 720 K HN 0.309 nan 8.250 nan 0.000 0.497 721 V N -0.201 119.584 119.914 -0.214 0.000 2.823 721 V HA 0.431 4.544 4.120 -0.011 0.000 0.312 721 V C -1.460 174.520 176.094 -0.191 0.000 1.072 721 V CA -1.272 60.899 62.300 -0.214 0.000 0.937 721 V CB 1.389 33.143 31.823 -0.115 0.000 1.013 721 V HN 0.227 nan 8.190 nan 0.000 0.430 722 W N 5.080 126.437 121.300 0.095 0.000 2.368 722 W HA 0.319 4.973 4.660 -0.010 0.000 0.316 722 W C 1.510 178.023 176.519 -0.009 0.000 1.375 722 W CA -0.216 57.221 57.345 0.155 0.000 1.261 722 W CB 0.250 29.945 29.460 0.392 0.000 1.298 722 W HN 0.632 nan 8.180 nan 0.000 0.539 723 N N 2.442 121.311 118.700 0.281 0.000 2.659 723 N HA -0.151 4.582 4.740 -0.011 0.000 0.194 723 N C 1.603 177.113 175.510 -0.000 0.000 1.140 723 N CA 0.955 54.066 53.050 0.101 0.000 0.936 723 N CB 0.037 38.598 38.487 0.123 0.000 0.970 723 N HN 0.712 nan 8.380 nan 0.000 0.449 724 G N 0.667 109.458 108.800 -0.015 0.000 2.719 724 G HA2 -0.102 3.851 3.960 -0.011 0.000 0.211 724 G HA3 -0.102 3.851 3.960 -0.011 0.000 0.211 724 G C 0.610 174.927 174.900 -0.972 0.000 1.140 724 G CA -0.292 44.571 45.100 -0.394 0.000 0.790 724 G HN 0.169 nan 8.290 nan 0.000 0.529 725 K N 2.370 122.141 120.400 -1.048 0.000 2.504 725 K HA 0.066 4.379 4.320 -0.011 0.000 0.278 725 K C -1.725 174.231 176.600 -1.073 0.000 1.025 725 K CA -0.857 54.447 56.287 -1.638 0.000 1.093 725 K CB 0.540 32.468 32.500 -0.955 0.000 0.873 725 K HN 0.097 nan 8.250 nan 0.000 0.483 726 P HA 0.033 nan 4.420 nan 0.000 0.275 726 P C -1.014 176.074 177.300 -0.353 0.000 1.266 726 P CA -0.535 62.222 63.100 -0.572 0.000 0.793 726 P CB 0.873 32.307 31.700 -0.443 0.000 1.074 727 S N -2.028 113.555 115.700 -0.196 0.000 2.593 727 S HA 0.253 4.716 4.470 -0.011 0.000 0.297 727 S C -0.037 174.535 174.600 -0.047 0.000 1.112 727 S CA -0.929 57.206 58.200 -0.109 0.000 1.043 727 S CB 0.921 64.067 63.200 -0.091 0.000 1.054 727 S HN 0.562 nan 8.310 nan 0.000 0.516 728 E N 0.561 120.750 120.200 -0.017 0.000 2.900 728 E HA 0.080 4.423 4.350 -0.011 0.000 0.259 728 E C 0.112 176.703 176.600 -0.014 0.000 0.918 728 E CA 0.269 56.665 56.400 -0.007 0.000 0.960 728 E CB 0.115 29.796 29.700 -0.031 0.000 0.908 728 E HN 0.817 nan 8.360 nan 0.000 0.511 729 A N 4.465 127.284 122.820 -0.001 0.000 2.749 729 A HA 0.547 4.861 4.320 -0.011 0.000 0.299 729 A C 0.450 178.034 177.584 0.001 0.000 1.105 729 A CA 0.407 52.444 52.037 0.001 0.000 0.987 729 A CB 0.089 19.097 19.000 0.013 0.000 1.180 729 A HN 0.974 nan 8.150 nan 0.000 0.528 730 G N 0.128 108.922 108.800 -0.010 0.000 2.396 730 G HA2 -0.028 3.926 3.960 -0.011 0.000 0.254 730 G HA3 -0.028 3.926 3.960 -0.011 0.000 0.254 730 G C -0.407 174.484 174.900 -0.014 0.000 1.248 730 G CA -0.335 44.759 45.100 -0.010 0.000 1.033 730 G HN 0.751 nan 8.290 nan 0.000 0.502 731 K N 0.615 121.010 120.400 -0.008 0.000 2.281 731 K HA 0.591 4.905 4.320 -0.011 0.000 0.272 731 K C -0.175 176.428 176.600 0.005 0.000 1.048 731 K CA -0.224 56.058 56.287 -0.007 0.000 0.898 731 K CB 0.509 33.006 32.500 -0.005 0.000 1.128 731 K HN 0.526 nan 8.250 nan 0.000 0.460 732 T N 3.190 117.747 114.554 0.006 0.000 2.856 732 T HA 0.225 4.569 4.350 -0.011 0.000 0.292 732 T C -0.170 174.570 174.700 0.068 0.000 0.980 732 T CA -0.330 61.784 62.100 0.024 0.000 1.091 732 T CB 1.178 70.045 68.868 -0.001 0.000 0.936 732 T HN 0.765 nan 8.240 nan 0.000 0.503 733 T N 0.515 115.121 114.554 0.085 0.000 2.887 733 T HA 0.866 5.209 4.350 -0.011 0.000 0.292 733 T C -0.873 173.950 174.700 0.205 0.000 1.087 733 T CA -1.026 61.147 62.100 0.121 0.000 1.009 733 T CB 1.620 70.502 68.868 0.023 0.000 1.203 733 T HN 0.648 nan 8.240 nan 0.000 0.518 734 F N -1.701 118.202 119.950 -0.078 0.000 2.773 734 F HA 0.865 5.385 4.527 -0.011 0.000 0.314 734 F C -1.670 174.057 175.800 -0.121 0.000 1.160 734 F CA -1.054 56.878 58.000 -0.113 0.000 0.920 734 F CB 1.528 40.446 39.000 -0.136 0.000 1.323 734 F HN 0.789 nan 8.300 nan 0.000 0.457 735 E N 1.258 121.315 120.200 -0.238 0.000 2.343 735 E HA 0.637 4.980 4.350 -0.011 0.000 0.278 735 E C -1.983 174.485 176.600 -0.221 0.000 0.910 735 E CA -0.940 55.263 56.400 -0.328 0.000 0.757 735 E CB 3.175 32.759 29.700 -0.194 0.000 1.218 735 E HN 0.627 nan 8.360 nan 0.000 0.435 736 V N 2.419 122.194 119.914 -0.231 0.000 2.667 736 V HA 0.250 4.363 4.120 -0.011 0.000 0.308 736 V C -0.383 175.658 176.094 -0.089 0.000 1.048 736 V CA -0.715 61.481 62.300 -0.173 0.000 0.928 736 V CB 1.891 33.646 31.823 -0.113 0.000 1.004 736 V HN 0.689 nan 8.190 nan 0.000 0.444 737 D N 2.523 122.897 120.400 -0.043 0.000 2.277 737 D HA 0.141 4.774 4.640 -0.011 0.000 0.249 737 D C 0.999 177.302 176.300 0.005 0.000 1.134 737 D CA -0.152 53.837 54.000 -0.018 0.000 0.863 737 D CB 1.464 42.262 40.800 -0.003 0.000 1.143 737 D HN 0.650 nan 8.370 nan 0.000 0.458 738 E N 2.501 122.699 120.200 -0.004 0.000 2.187 738 E HA -0.209 4.134 4.350 -0.011 0.000 0.199 738 E C 0.968 177.580 176.600 0.019 0.000 1.004 738 E CA 1.086 57.489 56.400 0.006 0.000 0.813 738 E CB 0.287 29.986 29.700 -0.002 0.000 0.736 738 E HN 0.512 nan 8.360 nan 0.000 0.468 739 N N -0.790 117.922 118.700 0.020 0.000 2.482 739 N HA -0.031 4.702 4.740 -0.011 0.000 0.179 739 N C 1.802 177.335 175.510 0.038 0.000 1.039 739 N CA 1.403 54.468 53.050 0.026 0.000 0.884 739 N CB 0.498 38.997 38.487 0.019 0.000 1.113 739 N HN 0.187 nan 8.380 nan 0.000 0.440 740 T N -3.229 111.351 114.554 0.044 0.000 2.990 740 T HA 0.289 4.632 4.350 -0.011 0.000 0.249 740 T C 1.399 176.148 174.700 0.081 0.000 1.039 740 T CA 0.674 62.808 62.100 0.057 0.000 1.036 740 T CB 0.621 69.520 68.868 0.052 0.000 0.994 740 T HN 0.206 nan 8.240 nan 0.000 0.489 741 G N 1.657 110.511 108.800 0.089 0.000 2.143 741 G HA2 -0.002 3.951 3.960 -0.011 0.000 0.248 741 G HA3 -0.002 3.951 3.960 -0.011 0.000 0.248 741 G C 0.219 175.243 174.900 0.207 0.000 0.991 741 G CA -0.010 45.179 45.100 0.148 0.000 0.689 741 G HN 1.162 nan 8.290 nan 0.000 0.522 742 A N -0.594 122.298 122.820 0.120 0.000 2.293 742 A HA 0.787 5.100 4.320 -0.011 0.000 0.302 742 A C 0.354 177.932 177.584 -0.009 0.000 1.119 742 A CA -0.392 51.715 52.037 0.116 0.000 0.823 742 A CB 0.998 20.042 19.000 0.073 0.000 1.097 742 A HN 1.424 nan 8.150 nan 0.000 0.491 743 L N 1.674 122.861 121.223 -0.059 0.000 2.515 743 L HA 0.254 4.587 4.340 -0.011 0.000 0.281 743 L C 1.317 178.114 176.870 -0.121 0.000 1.131 743 L CA 0.523 55.215 54.840 -0.246 0.000 0.905 743 L CB 0.006 41.922 42.059 -0.240 0.000 1.246 743 L HN 0.829 nan 8.230 nan 0.000 0.463 744 K N 1.877 122.213 120.400 -0.107 0.000 2.361 744 K HA 0.236 4.550 4.320 -0.011 0.000 0.194 744 K C 0.339 176.903 176.600 -0.059 0.000 1.032 744 K CA 0.086 56.335 56.287 -0.064 0.000 1.048 744 K CB 0.295 32.765 32.500 -0.050 0.000 0.842 744 K HN 0.467 nan 8.250 nan 0.000 0.526 745 S N 0.167 115.826 115.700 -0.067 0.000 2.537 745 S HA 0.576 5.040 4.470 -0.011 0.000 0.270 745 S C -2.268 172.318 174.600 -0.024 0.000 1.142 745 S CA -0.937 57.235 58.200 -0.047 0.000 0.870 745 S CB 1.477 64.649 63.200 -0.046 0.000 1.112 745 S HN 0.246 nan 8.310 nan 0.000 0.466 746 L N 4.384 125.588 121.223 -0.032 0.000 2.555 746 L HA 0.669 5.002 4.340 -0.011 0.000 0.264 746 L C -1.205 175.656 176.870 -0.014 0.000 0.972 746 L CA -0.054 54.777 54.840 -0.015 0.000 0.876 746 L CB 0.712 42.722 42.059 -0.082 0.000 1.216 746 L HN 0.851 nan 8.230 nan 0.000 0.415 747 C N 3.486 122.793 119.300 0.012 0.000 2.401 747 C HA 0.788 5.242 4.460 -0.011 0.000 0.356 747 C C -0.265 174.735 174.990 0.018 0.000 1.192 747 C CA -0.844 58.182 59.018 0.013 0.000 2.028 747 C CB 1.506 29.254 27.740 0.013 0.000 2.344 747 C HN 0.772 nan 8.230 nan 0.000 0.525 748 L N 2.369 123.606 121.223 0.024 0.000 2.442 748 L HA 0.444 4.778 4.340 -0.011 0.000 0.261 748 L C -0.679 176.207 176.870 0.026 0.000 1.000 748 L CA 0.496 55.351 54.840 0.025 0.000 0.882 748 L CB 0.119 42.199 42.059 0.034 0.000 1.207 748 L HN 0.757 nan 8.230 nan 0.000 0.443 749 D N 4.052 124.463 120.400 0.018 0.000 2.800 749 D HA -0.159 4.475 4.640 -0.011 0.000 0.232 749 D C 1.094 177.403 176.300 0.016 0.000 1.137 749 D CA 1.703 55.712 54.000 0.015 0.000 0.718 749 D CB -1.207 39.602 40.800 0.015 0.000 1.084 749 D HN 1.183 nan 8.370 nan 0.000 0.432 750 G N -0.685 108.124 108.800 0.015 0.000 2.279 750 G HA2 -0.323 3.631 3.960 -0.011 0.000 0.223 750 G HA3 -0.323 3.631 3.960 -0.011 0.000 0.223 750 G C 0.093 175.005 174.900 0.020 0.000 1.015 750 G CA 0.127 45.235 45.100 0.013 0.000 0.621 750 G HN 0.448 nan 8.290 nan 0.000 0.506 751 E N 1.644 121.863 120.200 0.031 0.000 2.217 751 E HA 0.456 4.799 4.350 -0.011 0.000 0.279 751 E C 0.269 176.898 176.600 0.048 0.000 1.068 751 E CA -0.274 56.154 56.400 0.047 0.000 0.882 751 E CB 0.946 30.686 29.700 0.066 0.000 1.039 751 E HN 0.377 nan 8.360 nan 0.000 0.418 752 E N 3.204 123.431 120.200 0.045 0.000 2.413 752 E HA -0.037 4.306 4.350 -0.011 0.000 0.263 752 E C -0.080 176.543 176.600 0.039 0.000 1.015 752 E CA 0.455 56.873 56.400 0.032 0.000 0.916 752 E CB 0.571 30.290 29.700 0.031 0.000 0.947 752 E HN 0.546 nan 8.360 nan 0.000 0.440 753 L N 2.995 124.207 121.223 -0.018 0.000 2.672 753 L HA 0.259 4.592 4.340 -0.011 0.000 0.236 753 L C 0.021 176.828 176.870 -0.105 0.000 1.092 753 L CA -0.093 54.688 54.840 -0.098 0.000 0.887 753 L CB 0.119 42.085 42.059 -0.156 0.000 1.168 753 L HN 0.406 nan 8.230 nan 0.000 0.502 754 L N -0.672 120.525 121.223 -0.044 0.000 2.322 754 L HA 0.463 4.797 4.340 -0.011 0.000 0.279 754 L C 0.938 177.840 176.870 0.053 0.000 1.036 754 L CA -0.215 54.626 54.840 0.002 0.000 0.807 754 L CB 1.816 43.844 42.059 -0.051 0.000 1.226 754 L HN -0.105 nan 8.230 nan 0.000 0.433 755 A N 1.284 124.162 122.820 0.096 0.000 2.197 755 A HA 0.259 4.573 4.320 -0.011 0.000 0.210 755 A C 0.721 178.346 177.584 0.069 0.000 1.180 755 A CA 0.586 52.672 52.037 0.082 0.000 0.846 755 A CB 0.136 19.191 19.000 0.091 0.000 0.884 755 A HN 0.695 nan 8.150 nan 0.000 0.487 756 S N -1.197 114.556 115.700 0.089 0.000 2.651 756 S HA 0.708 5.171 4.470 -0.011 0.000 0.279 756 S C -3.436 171.209 174.600 0.075 0.000 1.148 756 S CA -1.600 56.644 58.200 0.072 0.000 0.837 756 S CB 1.514 64.756 63.200 0.070 0.000 1.138 756 S HN -0.063 nan 8.310 nan 0.000 0.478 757 P HA 0.219 nan 4.420 nan 0.000 0.269 757 P C -0.683 176.661 177.300 0.073 0.000 1.215 757 P CA -0.351 62.768 63.100 0.033 0.000 0.780 757 P CB 0.212 31.930 31.700 0.030 0.000 0.898 758 V N 2.445 122.380 119.914 0.034 0.000 2.432 758 V HA 0.373 4.486 4.120 -0.011 0.000 0.271 758 V C 0.886 177.047 176.094 0.112 0.000 1.046 758 V CA 0.143 62.494 62.300 0.085 0.000 0.945 758 V CB 0.298 32.114 31.823 -0.011 0.000 0.992 758 V HN 0.786 nan 8.190 nan 0.000 0.471 759 T N 2.199 116.825 114.554 0.119 0.000 2.864 759 T HA 0.739 5.083 4.350 -0.011 0.000 0.289 759 T C -0.538 174.222 174.700 0.101 0.000 1.082 759 T CA -0.842 61.319 62.100 0.102 0.000 1.009 759 T CB 1.626 70.540 68.868 0.076 0.000 1.234 759 T HN 0.249 nan 8.240 nan 0.000 0.526 760 I N 2.492 123.106 120.570 0.073 0.000 2.395 760 I HA 0.415 4.579 4.170 -0.011 0.000 0.289 760 I C 0.512 176.632 176.117 0.004 0.000 1.023 760 I CA -0.383 60.945 61.300 0.047 0.000 1.350 760 I CB 1.375 39.356 38.000 -0.032 0.000 1.409 760 I HN 0.855 nan 8.210 nan 0.000 0.507 761 S N 6.269 121.979 115.700 0.015 0.000 2.532 761 S HA 0.673 5.136 4.470 -0.011 0.000 0.301 761 S C -0.024 174.529 174.600 -0.078 0.000 1.083 761 S CA -0.818 57.396 58.200 0.023 0.000 1.025 761 S CB 2.013 65.315 63.200 0.171 0.000 1.056 761 S HN 0.580 nan 8.310 nan 0.000 0.494 762 L N 0.522 121.695 121.223 -0.083 0.000 3.086 762 L HA 0.512 4.845 4.340 -0.011 0.000 0.274 762 L C -0.477 176.253 176.870 -0.233 0.000 1.184 762 L CA 0.034 54.772 54.840 -0.170 0.000 1.002 762 L CB 0.348 42.315 42.059 -0.154 0.000 1.383 762 L HN 0.669 nan 8.230 nan 0.000 0.582 763 F N 1.866 121.631 119.950 -0.309 0.000 2.546 763 F HA 0.650 5.169 4.527 -0.012 0.000 0.320 763 F C -0.229 175.368 175.800 -0.339 0.000 1.076 763 F CA -0.912 56.861 58.000 -0.379 0.000 0.928 763 F CB 1.275 40.215 39.000 -0.100 0.000 1.189 763 F HN -0.090 nan 8.300 nan 0.000 0.465 764 R N 4.179 123.876 120.500 -1.339 0.000 2.750 764 R HA 0.658 4.992 4.340 -0.011 0.000 0.281 764 R C -3.227 172.462 176.300 -1.017 0.000 0.972 764 R CA -2.207 53.370 56.100 -0.873 0.000 0.912 764 R CB 1.543 31.502 30.300 -0.568 0.000 1.187 764 R HN 0.298 nan 8.270 nan 0.000 0.464 765 P HA -0.030 nan 4.420 nan 0.000 0.263 765 P C -0.441 176.785 177.300 -0.124 0.000 1.195 765 P CA 0.299 63.362 63.100 -0.061 0.000 0.762 765 P CB 0.756 32.510 31.700 0.090 0.000 0.799 766 A N 3.624 126.423 122.820 -0.036 0.000 2.567 766 A HA 0.254 4.567 4.320 -0.011 0.000 0.240 766 A C 1.055 178.565 177.584 -0.124 0.000 1.053 766 A CA 0.391 52.395 52.037 -0.055 0.000 0.755 766 A CB -0.682 18.295 19.000 -0.039 0.000 0.978 766 A HN 0.625 nan 8.150 nan 0.000 0.507 767 T N 0.257 114.703 114.554 -0.179 0.000 2.732 767 T HA 0.201 4.544 4.350 -0.011 0.000 0.287 767 T C 0.610 175.159 174.700 -0.251 0.000 0.993 767 T CA 0.187 62.125 62.100 -0.269 0.000 0.966 767 T CB 0.463 69.125 68.868 -0.343 0.000 1.047 767 T HN 0.575 nan 8.240 nan 0.000 0.527 768 D N 0.560 120.785 120.400 -0.291 0.000 2.117 768 D HA -0.102 4.531 4.640 -0.011 0.000 0.198 768 D C 1.967 178.135 176.300 -0.219 0.000 0.982 768 D CA 0.952 54.803 54.000 -0.248 0.000 0.828 768 D CB -0.286 40.345 40.800 -0.281 0.000 0.967 768 D HN 0.457 nan 8.370 nan 0.000 0.464 769 N N 1.386 119.944 118.700 -0.236 0.000 2.104 769 N HA -0.140 4.593 4.740 -0.011 0.000 0.190 769 N C 1.291 176.667 175.510 -0.223 0.000 1.024 769 N CA 0.904 53.831 53.050 -0.205 0.000 0.853 769 N CB -0.426 37.938 38.487 -0.206 0.000 1.008 769 N HN 0.159 nan 8.380 nan 0.000 0.424 770 D N 0.698 120.946 120.400 -0.253 0.000 2.190 770 D HA -0.104 4.529 4.640 -0.011 0.000 0.200 770 D C 1.345 177.420 176.300 -0.375 0.000 0.992 770 D CA 0.771 54.563 54.000 -0.347 0.000 0.854 770 D CB -0.332 40.282 40.800 -0.310 0.000 0.936 770 D HN 0.257 nan 8.370 nan 0.000 0.462 771 N N -0.056 118.489 118.700 -0.259 0.000 2.409 771 N HA -0.014 4.719 4.740 -0.011 0.000 0.179 771 N C 1.606 177.006 175.510 -0.183 0.000 1.032 771 N CA 0.421 53.343 53.050 -0.212 0.000 0.898 771 N CB 0.208 38.601 38.487 -0.156 0.000 0.971 771 N HN 0.176 nan 8.380 nan 0.000 0.441 772 R N 0.174 120.572 120.500 -0.169 0.000 2.225 772 R HA 0.112 4.445 4.340 -0.011 0.000 0.194 772 R C 0.118 176.324 176.300 -0.156 0.000 0.957 772 R CA -0.194 55.825 56.100 -0.136 0.000 1.042 772 R CB 0.272 30.518 30.300 -0.090 0.000 1.004 772 R HN 0.097 nan 8.270 nan 0.000 0.509 773 D N 1.921 122.206 120.400 -0.191 0.000 2.586 773 D HA -0.106 4.527 4.640 -0.011 0.000 0.234 773 D C 0.121 176.315 176.300 -0.178 0.000 1.132 773 D CA 0.540 54.433 54.000 -0.179 0.000 0.860 773 D CB 0.593 41.271 40.800 -0.202 0.000 1.159 773 D HN 0.015 nan 8.370 nan 0.000 0.490 777 A N -0.197 121.788 122.820 -1.392 0.000 2.125 777 A HA 0.107 4.420 4.320 -0.011 0.000 0.219 777 A C 2.080 179.448 177.584 -0.360 0.000 1.156 777 A CA 2.148 53.683 52.037 -0.837 0.000 0.671 777 A CB -0.436 18.359 19.000 -0.342 0.000 0.794 777 A HN 0.501 nan 8.150 nan 0.000 0.459 778 K N -0.823 119.364 120.400 -0.354 0.000 2.032 778 K HA -0.143 4.170 4.320 -0.011 0.000 0.209 778 K C 1.689 178.214 176.600 -0.124 0.000 1.048 778 K CA 1.398 57.574 56.287 -0.184 0.000 0.927 778 K CB -0.311 32.095 32.500 -0.157 0.000 0.712 778 K HN 0.338 nan 8.250 nan 0.000 0.441 779 L N 0.067 121.180 121.223 -0.182 0.000 1.994 779 L HA -0.196 4.137 4.340 -0.011 0.000 0.208 779 L C 2.205 179.158 176.870 0.138 0.000 1.071 779 L CA 1.589 56.408 54.840 -0.034 0.000 0.745 779 L CB -1.191 40.844 42.059 -0.040 0.000 0.892 779 L HN 0.323 nan 8.230 nan 0.000 0.431 780 W N 0.295 121.632 121.300 0.062 0.000 2.317 780 W HA -0.179 4.474 4.660 -0.012 0.000 0.318 780 W C 2.759 179.335 176.519 0.096 0.000 1.227 780 W CA 0.936 58.364 57.345 0.139 0.000 1.269 780 W CB -1.463 28.178 29.460 0.301 0.000 1.155 780 W HN 0.184 nan 8.180 nan 0.000 0.484 781 R N 0.233 120.857 120.500 0.206 0.000 2.148 781 R HA -0.085 4.249 4.340 -0.011 0.000 0.223 781 R C 2.154 178.490 176.300 0.060 0.000 1.088 781 R CA 1.141 57.162 56.100 -0.132 0.000 0.985 781 R CB -0.373 29.770 30.300 -0.261 0.000 0.880 781 R HN 0.150 nan 8.270 nan 0.000 0.451 782 K N 0.308 120.776 120.400 0.114 0.000 2.305 782 K HA 0.032 4.345 4.320 -0.011 0.000 0.199 782 K C 1.475 178.224 176.600 0.247 0.000 1.047 782 K CA 0.811 57.188 56.287 0.149 0.000 0.976 782 K CB 0.230 32.793 32.500 0.106 0.000 0.765 782 K HN 0.088 nan 8.250 nan 0.000 0.474 783 A N 0.306 123.290 122.820 0.273 0.000 2.251 783 A HA 0.211 4.525 4.320 -0.011 0.000 0.209 783 A C 1.179 178.987 177.584 0.373 0.000 1.187 783 A CA 0.665 52.925 52.037 0.371 0.000 0.823 783 A CB -0.249 18.792 19.000 0.068 0.000 0.846 783 A HN 0.455 nan 8.150 nan 0.000 0.486 784 G N -0.554 108.448 108.800 0.337 0.000 2.176 784 G HA2 -0.260 3.693 3.960 -0.011 0.000 0.252 784 G HA3 -0.260 3.693 3.960 -0.011 0.000 0.252 784 G C 0.689 175.718 174.900 0.216 0.000 1.024 784 G CA 0.446 45.731 45.100 0.308 0.000 0.755 784 G HN 0.454 nan 8.290 nan 0.000 0.507 785 L N 0.508 121.898 121.223 0.278 0.000 2.353 785 L HA -0.033 4.301 4.340 -0.011 0.000 0.220 785 L C 2.579 179.456 176.870 0.010 0.000 1.133 785 L CA 1.393 56.325 54.840 0.154 0.000 0.798 785 L CB -0.456 41.727 42.059 0.207 0.000 0.922 785 L HN 0.655 nan 8.230 nan 0.000 0.445 786 H N -1.462 117.319 119.070 -0.483 0.000 2.547 786 H HA 0.061 4.610 4.556 -0.011 0.000 0.266 786 H C 0.638 175.792 175.328 -0.290 0.000 0.988 786 H CA 0.702 56.274 56.048 -0.793 0.000 1.147 786 H CB -0.719 28.234 29.762 -1.347 0.000 1.365 786 H HN 0.262 nan 8.280 nan 0.000 0.589 787 T N -0.673 113.615 114.554 -0.445 0.000 3.732 787 T HA 0.463 4.807 4.350 -0.011 0.000 0.234 787 T C -0.169 174.455 174.700 -0.126 0.000 1.146 787 T CA -0.652 61.257 62.100 -0.318 0.000 1.454 787 T CB -0.516 68.093 68.868 -0.431 0.000 0.910 787 T HN 0.077 nan 8.240 nan 0.000 0.640 788 L N 2.279 123.468 121.223 -0.057 0.000 2.357 788 L HA 0.758 5.092 4.340 -0.011 0.000 0.273 788 L C 0.611 177.489 176.870 0.014 0.000 1.080 788 L CA -0.660 54.181 54.840 0.001 0.000 0.803 788 L CB 1.550 43.622 42.059 0.020 0.000 1.174 788 L HN 0.596 nan 8.230 nan 0.000 0.443 789 T N -1.056 113.520 114.554 0.036 0.000 2.906 789 T HA 0.489 4.833 4.350 -0.011 0.000 0.295 789 T C -0.804 173.932 174.700 0.061 0.000 1.061 789 T CA -1.067 61.057 62.100 0.041 0.000 1.000 789 T CB 1.866 70.753 68.868 0.032 0.000 1.103 789 T HN 0.503 nan 8.240 nan 0.000 0.486 790 Q N 0.961 120.798 119.800 0.061 0.000 2.293 790 Q HA 0.509 4.842 4.340 -0.011 0.000 0.261 790 Q C -0.824 175.215 176.000 0.065 0.000 0.960 790 Q CA -0.821 55.027 55.803 0.074 0.000 0.882 790 Q CB 2.422 31.208 28.738 0.079 0.000 1.275 790 Q HN 0.547 nan 8.270 nan 0.000 0.445 791 K N 1.922 122.363 120.400 0.068 0.000 2.292 791 K HA 0.379 4.692 4.320 -0.011 0.000 0.257 791 K C -0.895 175.739 176.600 0.058 0.000 0.940 791 K CA -0.649 55.672 56.287 0.056 0.000 0.811 791 K CB 1.681 34.210 32.500 0.049 0.000 1.120 791 K HN 0.385 nan 8.250 nan 0.000 0.428 792 V N 4.725 124.670 119.914 0.051 0.000 2.529 792 V HA -0.031 4.082 4.120 -0.011 0.000 0.292 792 V C 1.106 177.225 176.094 0.042 0.000 1.028 792 V CA 0.129 62.459 62.300 0.050 0.000 1.074 792 V CB 1.313 33.163 31.823 0.046 0.000 0.958 792 V HN 0.727 nan 8.190 nan 0.000 0.481 793 V N 3.794 123.733 119.914 0.042 0.000 2.685 793 V HA 0.125 4.238 4.120 -0.011 0.000 0.244 793 V C 0.735 176.846 176.094 0.029 0.000 1.054 793 V CA 1.407 63.727 62.300 0.034 0.000 1.076 793 V CB 0.868 32.711 31.823 0.034 0.000 0.725 793 V HN 0.987 nan 8.190 nan 0.000 0.467 794 S N -0.173 115.547 115.700 0.032 0.000 2.542 794 S HA 0.622 5.085 4.470 -0.011 0.000 0.276 794 S C -1.655 172.966 174.600 0.036 0.000 1.148 794 S CA -0.596 57.621 58.200 0.028 0.000 0.886 794 S CB 2.139 65.353 63.200 0.023 0.000 1.109 794 S HN 0.129 nan 8.310 nan 0.000 0.458 795 L N 2.211 123.455 121.223 0.035 0.000 2.439 795 L HA 0.779 5.112 4.340 -0.011 0.000 0.270 795 L C -1.558 175.335 176.870 0.039 0.000 0.972 795 L CA -0.308 54.560 54.840 0.045 0.000 0.836 795 L CB 1.633 43.719 42.059 0.046 0.000 1.255 795 L HN 0.776 nan 8.230 nan 0.000 0.404 796 K N 3.770 124.198 120.400 0.046 0.000 2.270 796 K HA 0.609 4.922 4.320 -0.011 0.000 0.255 796 K C -1.085 175.547 176.600 0.052 0.000 0.936 796 K CA -0.482 55.828 56.287 0.039 0.000 0.809 796 K CB 2.195 34.714 32.500 0.032 0.000 1.131 796 K HN 0.624 nan 8.250 nan 0.000 0.427 797 E N 0.595 120.818 120.200 0.039 0.000 2.272 797 E HA 0.349 4.692 4.350 -0.011 0.000 0.269 797 E C -0.944 175.676 176.600 0.032 0.000 0.877 797 E CA -0.351 56.073 56.400 0.040 0.000 0.755 797 E CB 1.548 31.254 29.700 0.009 0.000 1.192 797 E HN 0.664 nan 8.360 nan 0.000 0.422 798 S N 2.612 118.341 115.700 0.048 0.000 2.751 798 S HA 0.412 4.876 4.470 -0.011 0.000 0.310 798 S C 0.841 175.462 174.600 0.035 0.000 1.128 798 S CA -0.813 57.410 58.200 0.037 0.000 0.931 798 S CB 1.369 64.596 63.200 0.044 0.000 1.177 798 S HN 0.384 nan 8.310 nan 0.000 0.530 799 K N 0.760 121.177 120.400 0.028 0.000 2.160 799 K HA -0.093 4.220 4.320 -0.011 0.000 0.206 799 K C 1.518 178.157 176.600 0.066 0.000 1.047 799 K CA 2.121 58.420 56.287 0.021 0.000 0.930 799 K CB -0.820 31.694 32.500 0.023 0.000 0.720 799 K HN 0.927 nan 8.250 nan 0.000 0.450 800 T N -3.181 111.451 114.554 0.130 0.000 3.209 800 T HA 0.182 4.525 4.350 -0.011 0.000 0.295 800 T C 0.231 175.109 174.700 0.297 0.000 0.977 800 T CA -0.199 62.042 62.100 0.234 0.000 0.922 800 T CB 0.172 69.131 68.868 0.151 0.000 1.152 800 T HN 0.086 nan 8.240 nan 0.000 0.527 801 S N -0.050 115.818 115.700 0.280 0.000 2.615 801 S HA 0.879 5.342 4.470 -0.011 0.000 0.269 801 S C -1.560 173.204 174.600 0.274 0.000 1.161 801 S CA -0.562 57.811 58.200 0.288 0.000 0.817 801 S CB 1.530 64.814 63.200 0.139 0.000 1.131 801 S HN 1.161 nan 8.310 nan 0.000 0.467 802 A N 0.603 123.597 122.820 0.291 0.000 2.547 802 A HA 0.800 5.113 4.320 -0.011 0.000 0.297 802 A C -0.812 176.890 177.584 0.197 0.000 1.056 802 A CA -0.680 51.513 52.037 0.260 0.000 0.688 802 A CB 1.701 20.919 19.000 0.363 0.000 1.282 802 A HN 0.889 nan 8.150 nan 0.000 0.400 803 T N 1.604 116.229 114.554 0.119 0.000 2.847 803 T HA 0.675 5.018 4.350 -0.011 0.000 0.291 803 T C -0.325 174.412 174.700 0.061 0.000 0.998 803 T CA 0.150 62.282 62.100 0.054 0.000 0.967 803 T CB 1.372 70.249 68.868 0.016 0.000 0.954 803 T HN 1.438 nan 8.240 nan 0.000 0.441 804 A N 3.520 126.371 122.820 0.052 0.000 2.318 804 A HA 0.698 5.011 4.320 -0.011 0.000 0.317 804 A C -0.359 177.244 177.584 0.032 0.000 1.159 804 A CA -0.734 51.342 52.037 0.065 0.000 0.799 804 A CB 1.020 20.095 19.000 0.126 0.000 1.194 804 A HN 0.710 nan 8.150 nan 0.000 0.479 805 Q N 0.987 120.807 119.800 0.035 0.000 2.331 805 Q HA 0.492 4.826 4.340 -0.011 0.000 0.257 805 Q C -0.285 175.745 176.000 0.049 0.000 0.957 805 Q CA -0.228 55.595 55.803 0.033 0.000 0.923 805 Q CB 1.527 30.280 28.738 0.025 0.000 1.212 805 Q HN 0.826 nan 8.270 nan 0.000 0.443 806 V N 0.759 120.711 119.914 0.063 0.000 2.815 806 V HA 0.640 4.754 4.120 -0.011 0.000 0.314 806 V C -0.502 175.648 176.094 0.094 0.000 1.064 806 V CA -1.070 61.278 62.300 0.079 0.000 0.952 806 V CB 2.169 34.046 31.823 0.090 0.000 1.020 806 V HN 0.612 nan 8.190 nan 0.000 0.439 807 N N 2.038 120.793 118.700 0.092 0.000 2.498 807 N HA 0.541 5.274 4.740 -0.011 0.000 0.287 807 N C -1.016 174.576 175.510 0.136 0.000 1.097 807 N CA -0.227 52.890 53.050 0.111 0.000 0.973 807 N CB 1.743 40.284 38.487 0.090 0.000 1.153 807 N HN 0.657 nan 8.380 nan 0.000 0.472 808 I N 3.081 123.764 120.570 0.188 0.000 2.306 808 I HA 0.287 4.451 4.170 -0.011 0.000 0.288 808 I C -0.300 175.934 176.117 0.196 0.000 1.036 808 I CA -0.218 61.203 61.300 0.201 0.000 1.221 808 I CB 0.380 38.560 38.000 0.301 0.000 1.385 808 I HN 0.218 nan 8.210 nan 0.000 0.472 809 L N 6.313 127.624 121.223 0.147 0.000 2.334 809 L HA 0.593 4.927 4.340 -0.011 0.000 0.273 809 L C 0.158 177.107 176.870 0.131 0.000 1.013 809 L CA -1.109 53.818 54.840 0.146 0.000 0.816 809 L CB 1.127 43.245 42.059 0.097 0.000 1.278 809 L HN 0.540 nan 8.230 nan 0.000 0.431 810 N N 0.534 119.334 118.700 0.166 0.000 2.364 810 N HA 0.061 4.794 4.740 -0.011 0.000 0.264 810 N C 0.556 176.098 175.510 0.052 0.000 1.263 810 N CA -0.710 52.410 53.050 0.117 0.000 0.959 810 N CB 0.620 39.227 38.487 0.200 0.000 1.204 810 N HN 0.348 nan 8.380 nan 0.000 0.550 811 V N -0.604 119.311 119.914 0.002 0.000 2.867 811 V HA -0.157 3.957 4.120 -0.011 0.000 0.260 811 V C 1.520 177.615 176.094 0.002 0.000 1.099 811 V CA 1.862 64.153 62.300 -0.015 0.000 1.122 811 V CB -1.087 30.702 31.823 -0.056 0.000 0.708 811 V HN 0.850 nan 8.190 nan 0.000 0.490 812 T N -0.286 114.278 114.554 0.016 0.000 3.118 812 T HA 0.158 4.501 4.350 -0.011 0.000 0.260 812 T C 1.419 176.115 174.700 -0.007 0.000 1.139 812 T CA 1.034 63.136 62.100 0.002 0.000 1.085 812 T CB -0.089 68.776 68.868 -0.003 0.000 0.934 812 T HN 0.856 nan 8.240 nan 0.000 0.518 813 G N 1.670 110.478 108.800 0.012 0.000 2.199 813 G HA2 -0.271 3.682 3.960 -0.011 0.000 0.254 813 G HA3 -0.271 3.682 3.960 -0.011 0.000 0.254 813 G C 0.226 175.132 174.900 0.010 0.000 0.982 813 G CA 0.317 45.425 45.100 0.013 0.000 0.632 813 G HN 0.579 nan 8.290 nan 0.000 0.529 814 K N 1.192 121.583 120.400 -0.016 0.000 2.448 814 K HA 0.331 4.645 4.320 -0.011 0.000 0.278 814 K C 0.713 177.386 176.600 0.121 0.000 1.009 814 K CA -0.142 56.100 56.287 -0.075 0.000 0.995 814 K CB 0.302 32.578 32.500 -0.372 0.000 0.917 814 K HN 0.236 nan 8.250 nan 0.000 0.481 815 K N 3.794 124.276 120.400 0.136 0.000 2.378 815 K HA 0.041 4.354 4.320 -0.011 0.000 0.288 815 K C 0.320 177.224 176.600 0.507 0.000 1.057 815 K CA -0.333 56.105 56.287 0.252 0.000 0.971 815 K CB 0.660 33.261 32.500 0.169 0.000 0.975 815 K HN 0.470 nan 8.250 nan 0.000 0.475 816 V N 3.331 123.521 119.914 0.461 0.000 2.951 816 V HA 0.151 4.265 4.120 -0.011 0.000 0.255 816 V C 0.933 177.187 176.094 0.268 0.000 1.088 816 V CA 1.224 63.771 62.300 0.413 0.000 1.109 816 V CB 0.077 32.071 31.823 0.284 0.000 0.724 816 V HN 1.045 nan 8.190 nan 0.000 0.471 817 G N -0.823 108.132 108.800 0.258 0.000 2.313 817 G HA2 0.360 4.313 3.960 -0.011 0.000 0.296 817 G HA3 0.360 4.313 3.960 -0.011 0.000 0.296 817 G C -2.422 172.531 174.900 0.089 0.000 1.356 817 G CA -0.767 44.368 45.100 0.059 0.000 0.833 817 G HN 0.174 nan 8.290 nan 0.000 0.552 818 D N -0.146 120.202 120.400 -0.086 0.000 2.248 818 D HA 0.751 5.384 4.640 -0.011 0.000 0.246 818 D C 0.177 176.517 176.300 0.066 0.000 1.027 818 D CA 0.210 54.216 54.000 0.011 0.000 0.853 818 D CB 2.035 42.817 40.800 -0.030 0.000 1.243 818 D HN 0.791 nan 8.370 nan 0.000 0.462 819 A N 0.998 123.906 122.820 0.146 0.000 2.539 819 A HA 0.767 5.080 4.320 -0.011 0.000 0.296 819 A C -0.954 176.672 177.584 0.070 0.000 1.073 819 A CA -0.731 51.409 52.037 0.172 0.000 0.700 819 A CB 1.731 20.906 19.000 0.292 0.000 1.296 819 A HN 0.400 nan 8.150 nan 0.000 0.405 820 T N 2.019 116.585 114.554 0.020 0.000 2.815 820 T HA 0.555 4.899 4.350 -0.011 0.000 0.289 820 T C -0.778 173.857 174.700 -0.108 0.000 1.000 820 T CA -0.059 62.020 62.100 -0.035 0.000 0.958 820 T CB 0.425 69.266 68.868 -0.046 0.000 0.944 820 T HN 0.438 nan 8.240 nan 0.000 0.442 821 L N 3.208 124.347 121.223 -0.141 0.000 2.287 821 L HA 0.511 4.844 4.340 -0.011 0.000 0.287 821 L C 0.291 176.882 176.870 -0.464 0.000 1.022 821 L CA -0.515 54.131 54.840 -0.323 0.000 0.814 821 L CB 1.488 43.392 42.059 -0.260 0.000 1.217 821 L HN 0.567 nan 8.230 nan 0.000 0.420 822 E N 2.775 122.650 120.200 -0.542 0.000 2.145 822 E HA 0.360 4.704 4.350 -0.011 0.000 0.262 822 E C -1.665 174.659 176.600 -0.459 0.000 0.883 822 E CA -0.626 55.538 56.400 -0.394 0.000 0.748 822 E CB 1.034 30.604 29.700 -0.216 0.000 1.140 822 E HN 0.311 nan 8.360 nan 0.000 0.417 823 Y N 1.600 121.879 120.300 -0.035 0.000 2.331 823 Y HA 0.382 4.925 4.550 -0.011 0.000 0.338 823 Y C -0.026 175.795 175.900 -0.132 0.000 0.992 823 Y CA -0.756 57.280 58.100 -0.107 0.000 1.121 823 Y CB 2.079 40.514 38.460 -0.041 0.000 1.184 823 Y HN 0.217 nan 8.280 nan 0.000 0.469 824 T N 4.768 119.275 114.554 -0.079 0.000 2.965 824 T HA 0.254 4.597 4.350 -0.011 0.000 0.306 824 T C -1.069 173.521 174.700 -0.184 0.000 0.991 824 T CA -0.594 61.455 62.100 -0.084 0.000 1.001 824 T CB 0.816 69.650 68.868 -0.057 0.000 0.984 824 T HN 0.387 nan 8.240 nan 0.000 0.446 825 L N 4.504 125.616 121.223 -0.186 0.000 2.313 825 L HA 0.426 4.759 4.340 -0.011 0.000 0.282 825 L C -0.130 176.701 176.870 -0.066 0.000 1.092 825 L CA -0.128 54.605 54.840 -0.178 0.000 0.831 825 L CB 0.009 42.042 42.059 -0.043 0.000 1.159 825 L HN 0.447 nan 8.230 nan 0.000 0.442 826 N N 2.580 121.227 118.700 -0.090 0.000 2.493 826 N HA 0.046 4.779 4.740 -0.011 0.000 0.275 826 N C 0.660 176.182 175.510 0.020 0.000 1.186 826 N CA -0.277 52.755 53.050 -0.029 0.000 0.978 826 N CB 0.716 39.164 38.487 -0.065 0.000 1.184 826 N HN 0.676 nan 8.380 nan 0.000 0.487 827 H N 1.045 120.097 119.070 -0.029 0.000 2.489 827 H HA -0.002 4.547 4.556 -0.011 0.000 0.295 827 H C 1.015 176.334 175.328 -0.014 0.000 1.082 827 H CA 1.471 57.511 56.048 -0.014 0.000 1.295 827 H CB 0.153 29.912 29.762 -0.006 0.000 1.380 827 H HN 0.438 nan 8.280 nan 0.000 0.548 828 N N -0.165 118.518 118.700 -0.028 0.000 2.272 828 N HA -0.106 4.627 4.740 -0.011 0.000 0.185 828 N C 1.537 176.995 175.510 -0.087 0.000 1.014 828 N CA 1.434 54.450 53.050 -0.057 0.000 0.870 828 N CB -0.321 38.144 38.487 -0.036 0.000 0.975 828 N HN 0.680 nan 8.380 nan 0.000 0.433 829 G N -1.005 107.731 108.800 -0.106 0.000 2.199 829 G HA2 -0.283 3.670 3.960 -0.011 0.000 0.254 829 G HA3 -0.283 3.670 3.960 -0.011 0.000 0.254 829 G C 0.169 174.979 174.900 -0.150 0.000 0.982 829 G CA 0.673 45.716 45.100 -0.094 0.000 0.632 829 G HN 0.650 nan 8.290 nan 0.000 0.529 830 S N -0.356 115.181 115.700 -0.271 0.000 2.586 830 S HA 0.748 5.211 4.470 -0.011 0.000 0.274 830 S C -0.209 174.183 174.600 -0.348 0.000 1.281 830 S CA -0.416 57.493 58.200 -0.484 0.000 1.035 830 S CB 2.359 64.864 63.200 -1.157 0.000 0.962 830 S HN 1.298 nan 8.310 nan 0.000 0.512 831 L N 2.229 123.262 121.223 -0.317 0.000 2.313 831 L HA 0.552 4.886 4.340 -0.011 0.000 0.283 831 L C -0.205 176.544 176.870 -0.201 0.000 1.013 831 L CA -0.409 54.256 54.840 -0.293 0.000 0.816 831 L CB 1.347 43.200 42.059 -0.344 0.000 1.236 831 L HN 0.862 nan 8.230 nan 0.000 0.419 832 K N 4.455 124.757 120.400 -0.164 0.000 2.172 832 K HA 0.582 4.896 4.320 -0.011 0.000 0.276 832 K C -1.626 174.930 176.600 -0.073 0.000 1.013 832 K CA -0.591 55.642 56.287 -0.090 0.000 0.913 832 K CB 1.304 33.757 32.500 -0.078 0.000 1.055 832 K HN 0.514 nan 8.250 nan 0.000 0.461 833 V N 4.779 124.669 119.914 -0.039 0.000 2.409 833 V HA 0.256 4.370 4.120 -0.011 0.000 0.290 833 V C -0.640 175.370 176.094 -0.140 0.000 1.017 833 V CA -0.803 61.454 62.300 -0.073 0.000 0.841 833 V CB 1.220 33.071 31.823 0.046 0.000 1.003 833 V HN 0.799 nan 8.190 nan 0.000 0.426 834 Q N 2.600 122.252 119.800 -0.246 0.000 2.330 834 Q HA 0.631 4.964 4.340 -0.011 0.000 0.269 834 Q C -1.123 174.655 176.000 -0.370 0.000 1.022 834 Q CA -0.348 55.288 55.803 -0.277 0.000 0.796 834 Q CB 2.182 30.801 28.738 -0.198 0.000 1.271 834 Q HN 0.762 nan 8.270 nan 0.000 0.450 835 T N 2.563 116.792 114.554 -0.541 0.000 2.848 835 T HA 0.447 4.791 4.350 -0.011 0.000 0.285 835 T C -0.960 173.465 174.700 -0.459 0.000 0.995 835 T CA -0.388 61.373 62.100 -0.566 0.000 0.970 835 T CB 1.702 70.042 68.868 -0.880 0.000 0.976 835 T HN 0.437 nan 8.240 nan 0.000 0.441 836 T N 3.627 118.070 114.554 -0.185 0.000 2.812 836 T HA 0.668 5.011 4.350 -0.011 0.000 0.282 836 T C -1.399 173.367 174.700 0.110 0.000 0.990 836 T CA -0.481 61.593 62.100 -0.044 0.000 0.960 836 T CB 0.518 69.357 68.868 -0.049 0.000 0.948 836 T HN 0.481 nan 8.240 nan 0.000 0.438 837 F N 2.740 122.699 119.950 0.014 0.000 2.588 837 F HA 0.670 5.191 4.527 -0.011 0.000 0.310 837 F C -1.072 174.763 175.800 0.058 0.000 1.082 837 F CA -0.773 57.260 58.000 0.055 0.000 0.929 837 F CB 2.009 41.080 39.000 0.120 0.000 1.254 837 F HN 0.476 nan 8.300 nan 0.000 0.455 838 Q N 7.269 126.451 119.800 -1.030 0.000 2.263 838 Q HA 0.471 4.804 4.340 -0.011 0.000 0.262 838 Q C -3.088 172.244 176.000 -1.114 0.000 0.984 838 Q CA -2.159 53.165 55.803 -0.798 0.000 0.813 838 Q CB 2.982 31.516 28.738 -0.339 0.000 1.299 838 Q HN 0.363 nan 8.270 nan 0.000 0.428 839 P HA 0.090 nan 4.420 nan 0.000 0.282 839 P C -0.768 176.411 177.300 -0.201 0.000 1.249 839 P CA -0.243 62.622 63.100 -0.392 0.000 0.806 839 P CB 0.930 32.602 31.700 -0.046 0.000 0.984 840 D N 2.135 122.477 120.400 -0.097 0.000 2.441 840 D HA -0.004 4.630 4.640 -0.011 0.000 0.243 840 D C 0.808 177.076 176.300 -0.053 0.000 1.257 840 D CA 0.172 54.174 54.000 0.002 0.000 1.027 840 D CB -0.463 40.470 40.800 0.223 0.000 1.084 840 D HN 0.214 nan 8.370 nan 0.000 0.514 841 T N 0.236 114.763 114.554 -0.044 0.000 3.829 841 T HA -0.051 4.292 4.350 -0.011 0.000 0.251 841 T C 1.261 175.981 174.700 0.032 0.000 1.030 841 T CA 0.455 62.533 62.100 -0.037 0.000 0.954 841 T CB -0.656 68.199 68.868 -0.023 0.000 1.120 841 T HN 0.288 nan 8.240 nan 0.000 0.633 842 T N -2.971 111.654 114.554 0.118 0.000 3.014 842 T HA 0.163 4.506 4.350 -0.011 0.000 0.250 842 T C 1.175 176.045 174.700 0.284 0.000 1.060 842 T CA -0.132 62.081 62.100 0.188 0.000 1.040 842 T CB -0.214 68.783 68.868 0.215 0.000 0.971 842 T HN 0.820 nan 8.240 nan 0.000 0.497 843 W N -0.140 121.186 121.300 0.043 0.000 1.231 843 W HA 0.528 5.181 4.660 -0.012 0.000 0.192 843 W C -1.739 174.825 176.519 0.075 0.000 0.744 843 W CA -0.599 56.778 57.345 0.052 0.000 0.890 843 W CB 0.094 29.583 29.460 0.048 0.000 0.865 843 W HN -0.094 nan 8.180 nan 0.000 0.440 844 V N 4.396 123.901 119.914 -0.682 0.000 2.328 844 V HA 0.274 4.387 4.120 -0.011 0.000 0.278 844 V C 0.784 176.758 176.094 -0.200 0.000 1.021 844 V CA -0.074 61.878 62.300 -0.581 0.000 0.838 844 V CB 1.686 33.157 31.823 -0.587 0.000 0.999 844 V HN -0.107 nan 8.190 nan 0.000 0.447 845 K N 2.050 122.398 120.400 -0.086 0.000 2.354 845 K HA 0.323 4.637 4.320 -0.011 0.000 0.194 845 K C 0.482 177.111 176.600 0.048 0.000 1.038 845 K CA 0.238 56.523 56.287 -0.005 0.000 1.052 845 K CB 1.129 33.640 32.500 0.019 0.000 0.861 845 K HN 0.541 nan 8.250 nan 0.000 0.535 846 S N 0.340 116.097 115.700 0.095 0.000 2.543 846 S HA 0.616 5.080 4.470 -0.011 0.000 0.274 846 S C -1.542 173.191 174.600 0.222 0.000 1.149 846 S CA -0.897 57.433 58.200 0.217 0.000 0.866 846 S CB 0.946 64.349 63.200 0.338 0.000 1.111 846 S HN 0.214 nan 8.310 nan 0.000 0.457 847 I N 0.937 121.575 120.570 0.115 0.000 2.865 847 I HA 0.864 5.027 4.170 -0.011 0.000 0.302 847 I C 0.439 176.337 176.117 -0.365 0.000 1.140 847 I CA -1.170 60.023 61.300 -0.179 0.000 1.021 847 I CB 1.848 39.785 38.000 -0.105 0.000 1.233 847 I HN 0.631 nan 8.210 nan 0.000 0.427 848 A N 3.833 126.086 122.820 -0.944 0.000 2.081 848 A HA 0.347 4.660 4.320 -0.011 0.000 0.214 848 A C 0.882 178.170 177.584 -0.494 0.000 1.158 848 A CA 0.823 52.223 52.037 -1.062 0.000 0.724 848 A CB -0.032 17.796 19.000 -1.953 0.000 0.826 848 A HN 0.900 nan 8.150 nan 0.000 0.463 849 R N -3.113 117.151 120.500 -0.394 0.000 2.774 849 R HA 0.635 4.968 4.340 -0.011 0.000 0.279 849 R C -2.055 174.123 176.300 -0.203 0.000 1.022 849 R CA -0.809 55.141 56.100 -0.250 0.000 0.855 849 R CB 0.455 30.593 30.300 -0.269 0.000 1.279 849 R HN 0.164 nan 8.270 nan 0.000 0.485 850 L N 0.613 121.722 121.223 -0.190 0.000 2.446 850 L HA 0.902 5.236 4.340 -0.011 0.000 0.268 850 L C -0.734 175.891 176.870 -0.408 0.000 0.975 850 L CA 0.539 55.240 54.840 -0.231 0.000 0.848 850 L CB 1.634 43.599 42.059 -0.156 0.000 1.225 850 L HN 1.035 nan 8.230 nan 0.000 0.410 851 G N 3.881 112.516 108.800 -0.275 0.000 2.428 851 G HA2 0.427 4.380 3.960 -0.011 0.000 0.304 851 G HA3 0.427 4.380 3.960 -0.011 0.000 0.304 851 G C -2.090 172.873 174.900 0.105 0.000 1.303 851 G CA -0.846 44.126 45.100 -0.214 0.000 0.825 851 G HN 0.526 nan 8.290 nan 0.000 0.484 852 L N -0.025 121.277 121.223 0.133 0.000 2.334 852 L HA 0.825 5.159 4.340 -0.011 0.000 0.272 852 L C 0.203 177.107 176.870 0.057 0.000 1.020 852 L CA -0.810 54.119 54.840 0.147 0.000 0.812 852 L CB 2.243 44.408 42.059 0.176 0.000 1.264 852 L HN 0.655 nan 8.230 nan 0.000 0.439 853 T N 1.434 116.018 114.554 0.049 0.000 2.903 853 T HA 0.796 5.140 4.350 -0.011 0.000 0.299 853 T C -1.334 173.382 174.700 0.027 0.000 1.093 853 T CA -0.371 61.619 62.100 -0.182 0.000 1.002 853 T CB 1.261 69.895 68.868 -0.389 0.000 1.127 853 T HN 0.472 nan 8.240 nan 0.000 0.488 854 F N 0.263 120.090 119.950 -0.204 0.000 2.770 854 F HA 0.730 5.251 4.527 -0.010 0.000 0.313 854 F C -0.961 174.776 175.800 -0.106 0.000 1.154 854 F CA -1.136 56.794 58.000 -0.118 0.000 0.923 854 F CB 0.759 39.707 39.000 -0.087 0.000 1.301 854 F HN 0.519 nan 8.300 nan 0.000 0.449 858 D N 0.200 120.646 120.400 0.076 0.000 2.378 858 D HA -0.067 4.566 4.640 -0.011 0.000 0.227 858 D C 1.159 177.462 176.300 0.005 0.000 1.012 858 D CA 1.284 55.306 54.000 0.037 0.000 0.905 858 D CB -0.248 40.543 40.800 -0.014 0.000 0.895 858 D HN 0.647 nan 8.370 nan 0.000 0.532 859 T N -3.013 111.509 114.554 -0.052 0.000 3.035 859 T HA -0.153 4.191 4.350 -0.011 0.000 0.268 859 T C 0.724 175.297 174.700 -0.212 0.000 1.109 859 T CA 0.345 62.344 62.100 -0.169 0.000 1.119 859 T CB -0.819 67.876 68.868 -0.288 0.000 0.900 859 T HN 0.197 nan 8.240 nan 0.000 0.503 860 Y N 2.210 122.532 120.300 0.037 0.000 3.040 860 Y HA 0.512 5.055 4.550 -0.011 0.000 0.392 860 Y C 1.844 177.777 175.900 0.055 0.000 1.105 860 Y CA -0.982 57.151 58.100 0.055 0.000 1.950 860 Y CB -0.492 38.010 38.460 0.071 0.000 2.014 860 Y HN 0.295 nan 8.280 nan 0.000 0.433 861 G N -0.324 108.545 108.800 0.114 0.000 2.985 861 G HA2 -0.104 3.849 3.960 -0.011 0.000 0.209 861 G HA3 -0.104 3.849 3.960 -0.011 0.000 0.209 861 G C 0.201 175.168 174.900 0.112 0.000 1.165 861 G CA -0.356 44.801 45.100 0.095 0.000 0.776 861 G HN 0.321 nan 8.290 nan 0.000 0.541 862 N N 0.650 119.427 118.700 0.128 0.000 2.415 862 N HA 0.397 5.131 4.740 -0.011 0.000 0.250 862 N C -0.767 174.849 175.510 0.176 0.000 1.127 862 N CA -0.111 53.021 53.050 0.137 0.000 0.945 862 N CB 2.066 40.626 38.487 0.122 0.000 1.196 862 N HN -0.117 nan 8.380 nan 0.000 0.499 863 V N 2.093 122.121 119.914 0.189 0.000 2.427 863 V HA 0.467 4.580 4.120 -0.011 0.000 0.286 863 V C 0.250 176.504 176.094 0.267 0.000 1.034 863 V CA -0.295 62.147 62.300 0.236 0.000 0.893 863 V CB 1.543 33.532 31.823 0.277 0.000 0.982 863 V HN 0.578 nan 8.190 nan 0.000 0.452 864 T N 5.028 119.752 114.554 0.284 0.000 2.893 864 T HA 0.755 5.099 4.350 -0.011 0.000 0.293 864 T C -1.177 173.663 174.700 0.233 0.000 1.027 864 T CA -0.455 61.804 62.100 0.266 0.000 0.988 864 T CB 1.525 70.581 68.868 0.313 0.000 1.043 864 T HN 0.719 nan 8.240 nan 0.000 0.461 865 Y N 0.833 120.998 120.300 -0.225 0.000 2.609 865 Y HA 0.797 5.340 4.550 -0.011 0.000 0.336 865 Y C -2.083 173.202 175.900 -1.024 0.000 1.129 865 Y CA -1.784 55.882 58.100 -0.723 0.000 1.040 865 Y CB 1.026 39.252 38.460 -0.390 0.000 1.310 865 Y HN 0.542 nan 8.280 nan 0.000 0.460 866 L N 2.954 123.297 121.223 -1.467 0.000 2.294 866 L HA 1.002 5.336 4.340 -0.011 0.000 0.283 866 L C -0.230 176.270 176.870 -0.616 0.000 1.015 866 L CA 0.174 54.352 54.840 -1.102 0.000 0.831 866 L CB 0.826 42.089 42.059 -1.326 0.000 1.217 866 L HN 1.157 nan 8.230 nan 0.000 0.420 867 G N 3.834 112.457 108.800 -0.296 0.000 2.430 867 G HA2 0.245 4.199 3.960 -0.011 0.000 0.300 867 G HA3 0.245 4.199 3.960 -0.011 0.000 0.300 867 G C -1.706 173.207 174.900 0.022 0.000 1.330 867 G CA -1.164 43.883 45.100 -0.088 0.000 0.813 867 G HN 0.660 nan 8.290 nan 0.000 0.487 868 R N -0.151 120.328 120.500 -0.035 0.000 2.401 868 R HA 0.557 4.890 4.340 -0.011 0.000 0.299 868 R C 0.430 176.689 176.300 -0.068 0.000 1.064 868 R CA 0.883 56.943 56.100 -0.067 0.000 1.000 868 R CB 0.318 30.528 30.300 -0.150 0.000 0.973 868 R HN 1.107 nan 8.270 nan 0.000 0.438 869 G N 1.959 110.658 108.800 -0.169 0.000 2.619 869 G HA2 0.071 4.024 3.960 -0.011 0.000 0.305 869 G HA3 0.071 4.024 3.960 -0.011 0.000 0.305 869 G C -0.555 173.919 174.900 -0.710 0.000 1.330 869 G CA -0.615 44.139 45.100 -0.575 0.000 0.789 869 G HN 0.612 nan 8.290 nan 0.000 0.487 870 E N 0.074 119.825 120.200 -0.749 0.000 2.511 870 E HA -0.015 4.328 4.350 -0.011 0.000 0.196 870 E C 0.309 176.715 176.600 -0.324 0.000 1.066 870 E CA 0.319 56.274 56.400 -0.741 0.000 0.871 870 E CB -0.066 29.347 29.700 -0.479 0.000 0.863 870 E HN 0.632 nan 8.360 nan 0.000 0.520 871 H N -0.070 118.843 119.070 -0.262 0.000 2.567 871 H HA 0.347 4.896 4.556 -0.011 0.000 0.345 871 H C -0.305 174.895 175.328 -0.213 0.000 1.169 871 H CA -0.859 55.069 56.048 -0.200 0.000 1.227 871 H CB 0.967 30.631 29.762 -0.163 0.000 1.607 871 H HN -0.165 nan 8.280 nan 0.000 0.534 872 E N 1.597 121.742 120.200 -0.091 0.000 3.025 872 E HA -0.067 4.276 4.350 -0.011 0.000 0.248 872 E C -0.609 175.931 176.600 -0.099 0.000 0.938 872 E CA 0.750 57.057 56.400 -0.155 0.000 0.958 872 E CB 0.255 29.912 29.700 -0.072 0.000 0.898 872 E HN 0.742 nan 8.360 nan 0.000 0.537 873 T N 1.857 116.222 114.554 -0.315 0.000 2.906 873 T HA 0.540 4.883 4.350 -0.011 0.000 0.295 873 T C -0.965 173.443 174.700 -0.487 0.000 1.061 873 T CA -0.804 61.157 62.100 -0.232 0.000 1.000 873 T CB 0.819 69.544 68.868 -0.237 0.000 1.103 873 T HN 0.328 nan 8.240 nan 0.000 0.486 874 Y N 0.230 120.458 120.300 -0.121 0.000 2.602 874 Y HA 0.459 5.002 4.550 -0.011 0.000 0.342 874 Y C 1.800 177.622 175.900 -0.130 0.000 1.029 874 Y CA -1.566 56.458 58.100 -0.127 0.000 1.080 874 Y CB 1.609 39.991 38.460 -0.130 0.000 1.284 874 Y HN 0.746 nan 8.280 nan 0.000 0.485 875 I N -1.340 119.252 120.570 0.035 0.000 2.423 875 I HA -0.198 3.965 4.170 -0.011 0.000 0.254 875 I C 0.939 176.946 176.117 -0.183 0.000 1.151 875 I CA 2.049 63.354 61.300 0.008 0.000 1.421 875 I CB -0.148 37.935 38.000 0.139 0.000 1.079 875 I HN 0.616 nan 8.210 nan 0.000 0.431 876 D N 1.117 121.280 120.400 -0.396 0.000 2.388 876 D HA 0.052 4.686 4.640 -0.011 0.000 0.221 876 D C 0.733 176.838 176.300 -0.325 0.000 1.133 876 D CA -0.178 53.351 54.000 -0.784 0.000 0.831 876 D CB 0.011 40.180 40.800 -1.053 0.000 0.962 876 D HN 0.414 nan 8.370 nan 0.000 0.502 877 R N 1.163 121.579 120.500 -0.140 0.000 2.797 877 R HA 0.091 4.425 4.340 -0.011 0.000 0.230 877 R C -0.997 175.298 176.300 -0.008 0.000 1.591 877 R CA -0.012 56.063 56.100 -0.043 0.000 1.501 877 R CB -0.327 29.985 30.300 0.019 0.000 1.524 877 R HN 0.127 nan 8.270 nan 0.000 0.711 878 N N 0.115 118.796 118.700 -0.033 0.000 2.361 878 N HA -0.039 4.695 4.740 -0.011 0.000 0.253 878 N C 0.255 175.748 175.510 -0.029 0.000 1.413 878 N CA -0.376 52.652 53.050 -0.036 0.000 0.821 878 N CB 0.404 38.848 38.487 -0.072 0.000 1.380 878 N HN 0.135 nan 8.380 nan 0.000 0.493 879 Q N 0.288 120.075 119.800 -0.022 0.000 2.291 879 Q HA 0.022 4.355 4.340 -0.011 0.000 0.205 879 Q C 0.653 176.629 176.000 -0.040 0.000 0.970 879 Q CA 0.750 56.529 55.803 -0.040 0.000 0.876 879 Q CB -0.048 28.657 28.738 -0.055 0.000 0.935 879 Q HN 0.671 nan 8.270 nan 0.000 0.455 880 S N -1.164 114.557 115.700 0.035 0.000 2.707 880 S HA 0.675 5.138 4.470 -0.011 0.000 0.276 880 S C 0.609 175.324 174.600 0.191 0.000 1.179 880 S CA 0.015 58.318 58.200 0.170 0.000 0.992 880 S CB 1.901 65.266 63.200 0.275 0.000 1.030 880 S HN 0.478 nan 8.310 nan 0.000 0.554 881 G N 0.339 109.353 108.800 0.356 0.000 2.828 881 G HA2 -0.006 3.948 3.960 -0.011 0.000 0.463 881 G HA3 -0.006 3.948 3.960 -0.011 0.000 0.463 881 G C -1.330 173.623 174.900 0.089 0.000 1.394 881 G CA -0.472 44.653 45.100 0.041 0.000 0.862 881 G HN 0.901 nan 8.290 nan 0.000 0.540 882 K N -0.550 119.846 120.400 -0.007 0.000 2.513 882 K HA 0.492 4.805 4.320 -0.011 0.000 0.251 882 K C 0.235 176.812 176.600 -0.039 0.000 0.939 882 K CA -0.942 55.342 56.287 -0.005 0.000 0.793 882 K CB 2.121 34.619 32.500 -0.004 0.000 1.241 882 K HN 0.540 nan 8.250 nan 0.000 0.431 883 I N 2.391 122.849 120.570 -0.186 0.000 2.683 883 I HA 0.163 4.326 4.170 -0.011 0.000 0.286 883 I C 0.814 176.592 176.117 -0.566 0.000 1.175 883 I CA 0.711 61.789 61.300 -0.369 0.000 1.429 883 I CB 0.213 37.884 38.000 -0.548 0.000 1.371 883 I HN 0.847 nan 8.210 nan 0.000 0.569 884 G N 6.238 114.686 108.800 -0.587 0.000 2.488 884 G HA2 0.478 4.432 3.960 -0.011 0.000 0.301 884 G HA3 0.478 4.432 3.960 -0.011 0.000 0.301 884 G C -1.327 172.989 174.900 -0.973 0.000 1.339 884 G CA -0.853 43.771 45.100 -0.793 0.000 0.803 884 G HN 0.408 nan 8.290 nan 0.000 0.482 885 I N 0.838 120.891 120.570 -0.862 0.000 2.342 885 I HA 0.431 4.595 4.170 -0.011 0.000 0.291 885 I C -1.008 174.564 176.117 -0.907 0.000 1.010 885 I CA -0.403 60.461 61.300 -0.726 0.000 1.308 885 I CB 0.875 38.692 38.000 -0.304 0.000 1.400 885 I HN 0.314 nan 8.210 nan 0.000 0.488 886 Y N 3.474 123.384 120.300 -0.649 0.000 2.462 886 Y HA 0.442 4.986 4.550 -0.010 0.000 0.346 886 Y C 0.206 175.905 175.900 -0.334 0.000 0.976 886 Y CA -0.925 56.847 58.100 -0.547 0.000 1.044 886 Y CB 2.229 40.216 38.460 -0.789 0.000 1.230 886 Y HN 0.356 nan 8.280 nan 0.000 0.455 887 T N 1.814 116.402 114.554 0.056 0.000 2.859 887 T HA 0.691 5.034 4.350 -0.011 0.000 0.281 887 T C -0.375 174.407 174.700 0.137 0.000 1.005 887 T CA -0.437 61.723 62.100 0.100 0.000 1.025 887 T CB 1.701 70.617 68.868 0.081 0.000 0.977 887 T HN 0.707 nan 8.240 nan 0.000 0.458 888 T N 0.819 115.475 114.554 0.169 0.000 2.658 888 T HA 0.676 5.019 4.350 -0.011 0.000 0.305 888 T C -1.518 173.271 174.700 0.147 0.000 1.551 888 T CA -0.438 61.755 62.100 0.156 0.000 0.985 888 T CB 1.331 70.309 68.868 0.183 0.000 1.731 888 T HN 0.883 nan 8.240 nan 0.000 0.486 889 T N -0.476 114.149 114.554 0.119 0.000 2.883 889 T HA 0.655 4.998 4.350 -0.011 0.000 0.296 889 T C -2.388 172.362 174.700 0.084 0.000 1.117 889 T CA -1.503 60.658 62.100 0.102 0.000 1.006 889 T CB 1.564 70.478 68.868 0.078 0.000 1.191 889 T HN 0.298 nan 8.240 nan 0.000 0.508 890 P HA -0.023 nan 4.420 nan 0.000 0.219 890 P C 1.376 178.697 177.300 0.035 0.000 1.146 890 P CA 0.855 63.976 63.100 0.036 0.000 0.808 890 P CB 0.163 31.862 31.700 -0.002 0.000 0.779 891 E N -0.044 120.175 120.200 0.032 0.000 2.106 891 E HA -0.102 4.241 4.350 -0.011 0.000 0.192 891 E C 1.120 177.806 176.600 0.143 0.000 0.984 891 E CA 0.765 57.201 56.400 0.060 0.000 0.806 891 E CB -0.223 29.508 29.700 0.053 0.000 0.750 891 E HN 0.360 nan 8.360 nan 0.000 0.458 895 H N 4.749 123.423 119.070 -0.660 0.000 2.489 895 H HA 0.424 4.974 4.556 -0.009 0.000 0.322 895 H C -1.265 173.667 175.328 -0.661 0.000 1.091 895 H CA -0.209 55.512 56.048 -0.544 0.000 1.291 895 H CB 0.833 30.221 29.762 -0.623 0.000 1.436 895 H HN 0.497 nan 8.280 nan 0.000 0.480 896 Y N 5.254 125.222 120.300 -0.553 0.000 2.636 896 Y HA 0.085 4.630 4.550 -0.009 0.000 0.334 896 Y C -0.404 175.403 175.900 -0.154 0.000 1.286 896 Y CA -0.315 57.708 58.100 -0.128 0.000 1.688 896 Y CB -0.944 37.628 38.460 0.186 0.000 1.662 896 Y HN 0.582 nan 8.280 nan 0.000 0.465 897 Y N -0.518 119.781 120.300 -0.002 0.000 2.457 897 Y HA -0.041 4.501 4.550 -0.012 0.000 0.341 897 Y C 1.597 177.570 175.900 0.122 0.000 1.240 897 Y CA -0.240 57.861 58.100 0.002 0.000 1.437 897 Y CB 0.487 38.880 38.460 -0.112 0.000 1.328 897 Y HN 0.222 nan 8.280 nan 0.000 0.588 898 V N 2.308 122.369 119.914 0.245 0.000 2.252 898 V HA -0.263 3.851 4.120 -0.011 0.000 0.249 898 V C 0.887 177.104 176.094 0.204 0.000 1.056 898 V CA 1.532 63.998 62.300 0.277 0.000 1.022 898 V CB -0.426 31.457 31.823 0.101 0.000 0.641 898 V HN 0.514 nan 8.190 nan 0.000 0.445 899 I N 1.276 121.850 120.570 0.007 0.000 2.353 899 I HA 0.282 4.446 4.170 -0.011 0.000 0.293 899 I C -2.484 173.653 176.117 0.033 0.000 0.992 899 I CA -2.024 59.254 61.300 -0.036 0.000 1.268 899 I CB 1.365 39.250 38.000 -0.191 0.000 1.387 899 I HN 0.093 nan 8.210 nan 0.000 0.478 900 P HA 0.081 nan 4.420 nan 0.000 0.271 900 P C -1.067 176.256 177.300 0.039 0.000 1.220 900 P CA -0.015 63.150 63.100 0.108 0.000 0.768 900 P CB 0.551 32.325 31.700 0.124 0.000 0.848 901 Q N 0.474 120.279 119.800 0.008 0.000 2.893 901 Q HA 0.520 4.853 4.340 -0.011 0.000 0.331 901 Q C -0.852 175.102 176.000 -0.077 0.000 0.893 901 Q CA -1.075 54.688 55.803 -0.068 0.000 0.783 901 Q CB 0.461 29.083 28.738 -0.194 0.000 1.440 901 Q HN 0.078 nan 8.270 nan 0.000 0.508 902 S N 0.387 116.017 115.700 -0.117 0.000 2.558 902 S HA 0.347 4.811 4.470 -0.011 0.000 0.288 902 S C -0.316 174.238 174.600 -0.076 0.000 1.318 902 S CA 0.528 58.670 58.200 -0.097 0.000 1.056 902 S CB 0.536 63.658 63.200 -0.129 0.000 0.853 902 S HN 0.530 nan 8.310 nan 0.000 0.505 903 T N 0.131 114.656 114.554 -0.050 0.000 2.786 903 T HA 0.546 4.890 4.350 -0.011 0.000 0.316 903 T C 0.379 175.025 174.700 -0.091 0.000 1.503 903 T CA 0.500 62.584 62.100 -0.025 0.000 1.019 903 T CB 0.766 69.484 68.868 -0.250 0.000 1.415 903 T HN 1.240 nan 8.240 nan 0.000 0.496 904 G N 2.228 110.953 108.800 -0.125 0.000 2.175 904 G HA2 -0.204 3.749 3.960 -0.011 0.000 0.244 904 G HA3 -0.204 3.749 3.960 -0.011 0.000 0.244 904 G C 0.044 174.707 174.900 -0.394 0.000 0.982 904 G CA 0.272 45.238 45.100 -0.225 0.000 0.641 904 G HN 0.958 nan 8.290 nan 0.000 0.527 905 N N 0.827 119.267 118.700 -0.434 0.000 2.458 905 N HA 0.403 5.137 4.740 -0.011 0.000 0.258 905 N C 0.441 175.534 175.510 -0.695 0.000 1.219 905 N CA 0.233 52.892 53.050 -0.651 0.000 0.902 905 N CB 0.333 38.216 38.487 -1.008 0.000 1.076 905 N HN 0.215 nan 8.380 nan 0.000 0.455 906 R N 1.169 121.218 120.500 -0.750 0.000 2.514 906 R HA 0.430 4.763 4.340 -0.011 0.000 0.301 906 R C -0.197 175.841 176.300 -0.436 0.000 0.962 906 R CA -0.577 55.146 56.100 -0.629 0.000 0.882 906 R CB 0.917 30.731 30.300 -0.811 0.000 1.143 906 R HN 0.769 nan 8.270 nan 0.000 0.452 907 T N -2.322 112.023 114.554 -0.348 0.000 2.949 907 T HA 0.318 4.661 4.350 -0.011 0.000 0.287 907 T C -0.256 174.321 174.700 -0.205 0.000 1.034 907 T CA -0.671 61.280 62.100 -0.248 0.000 1.018 907 T CB 1.131 69.876 68.868 -0.205 0.000 1.135 907 T HN 0.540 nan 8.240 nan 0.000 0.532 908 D N -0.312 119.993 120.400 -0.159 0.000 2.689 908 D HA -0.115 4.518 4.640 -0.011 0.000 0.237 908 D C -0.468 175.694 176.300 -0.231 0.000 1.148 908 D CA 0.350 54.269 54.000 -0.135 0.000 0.656 908 D CB -1.521 39.224 40.800 -0.091 0.000 1.050 908 D HN 0.492 nan 8.370 nan 0.000 0.426 909 V N 1.241 120.919 119.914 -0.394 0.000 2.461 909 V HA 0.152 4.265 4.120 -0.011 0.000 0.275 909 V C 1.606 177.270 176.094 -0.716 0.000 1.047 909 V CA -0.367 61.548 62.300 -0.642 0.000 0.955 909 V CB 1.784 33.041 31.823 -0.943 0.000 0.988 909 V HN 0.071 nan 8.190 nan 0.000 0.471 910 R N 3.826 123.954 120.500 -0.621 0.000 2.066 910 R HA 0.137 4.470 4.340 -0.011 0.000 0.224 910 R C 0.340 176.414 176.300 -0.378 0.000 1.122 910 R CA 0.826 56.596 56.100 -0.550 0.000 0.974 910 R CB 0.006 29.624 30.300 -1.136 0.000 0.871 910 R HN 0.845 nan 8.270 nan 0.000 0.435 911 W N -1.986 118.992 121.300 -0.536 0.000 3.137 911 W HA 0.664 5.317 4.660 -0.011 0.000 0.324 911 W C -1.613 174.641 176.519 -0.442 0.000 1.253 911 W CA -1.131 55.910 57.345 -0.508 0.000 1.183 911 W CB 0.935 29.817 29.460 -0.962 0.000 1.424 911 W HN -0.220 nan 8.180 nan 0.000 0.566 912 V N 2.152 122.047 119.914 -0.031 0.000 2.760 912 V HA 0.587 4.700 4.120 -0.011 0.000 0.309 912 V C -1.206 174.899 176.094 0.018 0.000 1.077 912 V CA -0.771 61.442 62.300 -0.146 0.000 0.910 912 V CB 2.188 33.577 31.823 -0.722 0.000 1.008 912 V HN 0.625 nan 8.190 nan 0.000 0.424 913 K N 4.829 125.349 120.400 0.200 0.000 2.270 913 K HA 0.805 5.118 4.320 -0.011 0.000 0.255 913 K C -1.873 174.836 176.600 0.181 0.000 0.936 913 K CA -0.586 55.838 56.287 0.228 0.000 0.809 913 K CB 1.736 34.462 32.500 0.377 0.000 1.131 913 K HN 0.619 nan 8.250 nan 0.000 0.427 914 L N 3.182 124.506 121.223 0.168 0.000 2.349 914 L HA 0.721 5.054 4.340 -0.011 0.000 0.278 914 L C -0.928 176.089 176.870 0.245 0.000 0.996 914 L CA -0.288 54.664 54.840 0.187 0.000 0.825 914 L CB 1.974 44.121 42.059 0.146 0.000 1.243 914 L HN 0.784 nan 8.230 nan 0.000 0.412 915 A N 1.460 124.453 122.820 0.289 0.000 2.556 915 A HA 0.770 5.084 4.320 -0.011 0.000 0.294 915 A C -1.342 176.395 177.584 0.255 0.000 1.091 915 A CA -0.695 51.540 52.037 0.330 0.000 0.704 915 A CB 1.404 20.534 19.000 0.216 0.000 1.300 915 A HN 0.681 nan 8.150 nan 0.000 0.406 916 D N -0.251 120.234 120.400 0.141 0.000 2.433 916 D HA 0.197 4.831 4.640 -0.011 0.000 0.255 916 D C 0.102 176.403 176.300 0.001 0.000 1.226 916 D CA -0.227 53.727 54.000 -0.077 0.000 1.015 916 D CB 0.369 40.969 40.800 -0.332 0.000 1.091 916 D HN 0.390 nan 8.370 nan 0.000 0.527 917 D N -0.776 119.611 120.400 -0.022 0.000 2.219 917 D HA -0.165 4.468 4.640 -0.011 0.000 0.205 917 D C 1.786 178.091 176.300 0.009 0.000 0.970 917 D CA 1.471 55.473 54.000 0.005 0.000 0.851 917 D CB -0.208 40.590 40.800 -0.004 0.000 0.943 917 D HN 0.488 nan 8.370 nan 0.000 0.488 918 S N -0.104 115.593 115.700 -0.006 0.000 2.469 918 S HA 0.021 4.484 4.470 -0.011 0.000 0.238 918 S C 1.815 176.433 174.600 0.030 0.000 0.998 918 S CA 1.626 59.829 58.200 0.006 0.000 0.957 918 S CB 0.042 63.239 63.200 -0.006 0.000 0.764 918 S HN 0.392 nan 8.310 nan 0.000 0.514 919 G N 0.260 109.090 108.800 0.050 0.000 2.238 919 G HA2 -0.221 3.732 3.960 -0.011 0.000 0.217 919 G HA3 -0.221 3.732 3.960 -0.011 0.000 0.217 919 G C 0.048 175.013 174.900 0.108 0.000 0.996 919 G CA 0.004 45.148 45.100 0.073 0.000 0.632 919 G HN 0.634 nan 8.290 nan 0.000 0.503 920 K N 0.971 121.444 120.400 0.123 0.000 2.485 920 K HA 0.480 4.793 4.320 -0.011 0.000 0.277 920 K C 1.036 177.831 176.600 0.325 0.000 0.990 920 K CA 1.579 57.984 56.287 0.196 0.000 0.994 920 K CB 0.481 33.107 32.500 0.210 0.000 0.906 920 K HN 1.035 nan 8.250 nan 0.000 0.488 921 G N 0.718 109.672 108.800 0.258 0.000 2.513 921 G HA2 0.247 4.200 3.960 -0.011 0.000 0.182 921 G HA3 0.247 4.200 3.960 -0.011 0.000 0.182 921 G C -1.540 173.417 174.900 0.095 0.000 1.190 921 G CA -0.260 44.950 45.100 0.183 0.000 0.987 921 G HN 0.929 nan 8.290 nan 0.000 0.479 922 C N -3.212 116.161 119.300 0.121 0.000 3.239 922 C HA 0.807 5.261 4.460 -0.011 0.000 0.329 922 C C -1.504 173.639 174.990 0.255 0.000 1.252 922 C CA -1.026 58.093 59.018 0.169 0.000 1.323 922 C CB 0.932 28.729 27.740 0.094 0.000 1.663 922 C HN 1.244 nan 8.230 nan 0.000 0.487 923 W N 2.518 123.881 121.300 0.105 0.000 2.532 923 W HA 0.837 5.490 4.660 -0.011 0.000 0.321 923 W C -1.330 175.299 176.519 0.183 0.000 1.037 923 W CA -0.979 56.410 57.345 0.075 0.000 1.220 923 W CB 1.054 30.448 29.460 -0.110 0.000 1.361 923 W HN 0.764 nan 8.180 nan 0.000 0.468 924 I N 6.268 126.702 120.570 -0.227 0.000 2.498 924 I HA 0.356 4.519 4.170 -0.011 0.000 0.290 924 I C -0.262 175.705 176.117 -0.251 0.000 1.032 924 I CA -0.862 60.395 61.300 -0.072 0.000 1.073 924 I CB 1.905 39.894 38.000 -0.018 0.000 1.251 924 I HN 0.525 nan 8.210 nan 0.000 0.426 925 E N 4.220 124.409 120.200 -0.017 0.000 2.410 925 E HA 0.747 5.090 4.350 -0.011 0.000 0.269 925 E C -1.284 175.424 176.600 0.181 0.000 0.937 925 E CA -0.748 55.727 56.400 0.125 0.000 0.793 925 E CB 2.412 32.256 29.700 0.240 0.000 1.314 925 E HN 0.397 nan 8.360 nan 0.000 0.447 926 S N -1.072 114.773 115.700 0.242 0.000 2.921 926 S HA 0.234 4.697 4.470 -0.011 0.000 0.315 926 S C -0.589 174.098 174.600 0.146 0.000 1.087 926 S CA 0.119 58.313 58.200 -0.010 0.000 0.877 926 S CB 0.843 63.897 63.200 -0.243 0.000 1.340 926 S HN 0.736 nan 8.310 nan 0.000 0.622 927 D N -0.118 120.317 120.400 0.057 0.000 2.379 927 D HA 0.249 4.882 4.640 -0.011 0.000 0.208 927 D C 0.373 176.766 176.300 0.155 0.000 1.065 927 D CA 0.075 54.143 54.000 0.113 0.000 0.848 927 D CB 0.061 40.891 40.800 0.050 0.000 0.949 927 D HN 0.308 nan 8.370 nan 0.000 0.509 928 S N -1.548 114.258 115.700 0.176 0.000 2.705 928 S HA 0.618 5.081 4.470 -0.011 0.000 0.280 928 S C -2.983 171.781 174.600 0.274 0.000 1.174 928 S CA -1.600 56.728 58.200 0.212 0.000 0.823 928 S CB 0.887 64.174 63.200 0.144 0.000 1.162 928 S HN -0.251 nan 8.310 nan 0.000 0.487 929 P HA 0.253 nan 4.420 nan 0.000 0.261 929 P C -0.807 176.603 177.300 0.183 0.000 1.173 929 P CA 0.259 63.429 63.100 0.118 0.000 0.760 929 P CB -0.191 31.545 31.700 0.060 0.000 0.783 930 F N 0.736 120.728 119.950 0.071 0.000 2.746 930 F HA 0.704 5.224 4.527 -0.011 0.000 0.378 930 F C -0.291 175.554 175.800 0.076 0.000 1.165 930 F CA -1.246 56.818 58.000 0.106 0.000 1.089 930 F CB 1.044 40.200 39.000 0.261 0.000 1.439 930 F HN 0.131 nan 8.300 nan 0.000 0.516 931 Q N 0.568 120.560 119.800 0.320 0.000 2.377 931 Q HA 0.607 4.940 4.340 -0.011 0.000 0.271 931 Q C -1.613 174.582 176.000 0.326 0.000 1.077 931 Q CA -0.907 54.965 55.803 0.114 0.000 0.820 931 Q CB 3.163 31.889 28.738 -0.019 0.000 1.347 931 Q HN 0.688 nan 8.270 nan 0.000 0.444 932 F N -1.132 118.773 119.950 -0.075 0.000 2.662 932 F HA 0.835 5.356 4.527 -0.011 0.000 0.312 932 F C -1.178 174.531 175.800 -0.152 0.000 1.113 932 F CA -0.716 57.256 58.000 -0.046 0.000 0.951 932 F CB 1.580 40.603 39.000 0.038 0.000 1.344 932 F HN 0.556 nan 8.300 nan 0.000 0.462 933 S N 1.404 116.897 115.700 -0.345 0.000 2.638 933 S HA 0.952 5.415 4.470 -0.011 0.000 0.274 933 S C -1.358 173.177 174.600 -0.109 0.000 1.157 933 S CA -0.466 57.435 58.200 -0.497 0.000 0.826 933 S CB 1.442 64.470 63.200 -0.288 0.000 1.139 933 S HN 1.950 nan 8.310 nan 0.000 0.474 934 A N 1.186 123.949 122.820 -0.096 0.000 2.509 934 A HA 0.680 4.993 4.320 -0.011 0.000 0.282 934 A C -1.306 176.280 177.584 0.002 0.000 1.054 934 A CA -0.563 51.475 52.037 0.003 0.000 0.820 934 A CB 0.398 19.464 19.000 0.110 0.000 1.333 934 A HN 0.815 nan 8.150 nan 0.000 0.409 935 L N 2.612 123.841 121.223 0.010 0.000 2.333 935 L HA 0.559 4.892 4.340 -0.011 0.000 0.263 935 L C -1.915 174.884 176.870 -0.118 0.000 1.014 935 L CA -2.359 52.507 54.840 0.043 0.000 0.820 935 L CB 2.974 45.165 42.059 0.220 0.000 1.352 935 L HN 0.374 nan 8.230 nan 0.000 0.421 936 P HA 0.059 nan 4.420 nan 0.000 0.236 936 P C -0.742 176.064 177.300 -0.823 0.000 1.177 936 P CA 0.937 63.584 63.100 -0.755 0.000 0.773 936 P CB 0.217 31.175 31.700 -1.236 0.000 0.878 937 F N -0.866 119.037 119.950 -0.079 0.000 2.563 937 F HA 0.404 4.925 4.527 -0.009 0.000 0.316 937 F C 1.133 176.946 175.800 0.021 0.000 1.076 937 F CA -1.247 56.719 58.000 -0.057 0.000 0.921 937 F CB 0.825 39.752 39.000 -0.123 0.000 1.209 937 F HN -0.340 nan 8.300 nan 0.000 0.462 938 S N 0.024 115.849 115.700 0.209 0.000 2.626 938 S HA 0.156 4.619 4.470 -0.011 0.000 0.257 938 S C 0.458 175.172 174.600 0.190 0.000 1.288 938 S CA -0.392 57.898 58.200 0.150 0.000 0.980 938 S CB 0.747 64.011 63.200 0.107 0.000 0.975 938 S HN 0.600 nan 8.310 nan 0.000 0.577 939 D N 0.329 120.840 120.400 0.185 0.000 2.162 939 D HA 0.066 4.699 4.640 -0.011 0.000 0.203 939 D C 1.967 178.392 176.300 0.208 0.000 0.967 939 D CA 0.767 54.904 54.000 0.229 0.000 0.840 939 D CB -0.485 40.489 40.800 0.289 0.000 0.972 939 D HN 0.452 nan 8.370 nan 0.000 0.482 940 L N 0.281 121.599 121.223 0.159 0.000 1.990 940 L HA -0.218 4.116 4.340 -0.011 0.000 0.213 940 L C 2.329 179.270 176.870 0.119 0.000 1.072 940 L CA 0.823 55.740 54.840 0.128 0.000 0.755 940 L CB -0.430 41.679 42.059 0.084 0.000 0.889 940 L HN 0.056 nan 8.230 nan 0.000 0.432 941 L N -1.007 120.281 121.223 0.109 0.000 2.046 941 L HA -0.211 4.123 4.340 -0.011 0.000 0.208 941 L C 2.312 179.224 176.870 0.071 0.000 1.077 941 L CA 1.509 56.398 54.840 0.081 0.000 0.747 941 L CB -0.944 41.166 42.059 0.085 0.000 0.896 941 L HN 0.185 nan 8.230 nan 0.000 0.432 942 L N -0.424 120.870 121.223 0.118 0.000 2.056 942 L HA -0.165 4.168 4.340 -0.011 0.000 0.207 942 L C 2.509 179.448 176.870 0.114 0.000 1.078 942 L CA 1.673 56.587 54.840 0.123 0.000 0.749 942 L CB -0.642 41.546 42.059 0.214 0.000 0.901 942 L HN 0.370 nan 8.230 nan 0.000 0.433 943 E N -0.245 120.046 120.200 0.151 0.000 2.110 943 E HA -0.258 4.086 4.350 -0.011 0.000 0.193 943 E C 2.253 178.913 176.600 0.099 0.000 0.988 943 E CA 1.592 58.087 56.400 0.158 0.000 0.804 943 E CB -0.232 29.624 29.700 0.260 0.000 0.745 943 E HN 0.455 nan 8.360 nan 0.000 0.458 944 K N 0.025 120.475 120.400 0.083 0.000 2.116 944 K HA 0.126 4.440 4.320 -0.011 0.000 0.203 944 K C 0.324 176.943 176.600 0.032 0.000 1.052 944 K CA 0.632 56.952 56.287 0.056 0.000 0.952 944 K CB -0.151 32.380 32.500 0.053 0.000 0.729 944 K HN 0.167 nan 8.250 nan 0.000 0.446 945 A N 1.531 124.362 122.820 0.018 0.000 2.540 945 A HA 0.080 4.393 4.320 -0.011 0.000 0.239 945 A C 0.781 178.366 177.584 0.002 0.000 1.061 945 A CA 0.196 52.231 52.037 -0.004 0.000 0.758 945 A CB 0.162 19.137 19.000 -0.042 0.000 0.991 945 A HN 0.424 nan 8.150 nan 0.000 0.502 946 L N 1.061 122.288 121.223 0.007 0.000 2.701 946 L HA 0.239 4.572 4.340 -0.011 0.000 0.238 946 L C 0.127 176.900 176.870 -0.162 0.000 1.106 946 L CA 0.232 55.044 54.840 -0.047 0.000 0.898 946 L CB -0.011 42.038 42.059 -0.017 0.000 1.188 946 L HN 0.864 nan 8.230 nan 0.000 0.508 947 H N -2.156 116.946 119.070 0.054 0.000 2.961 947 H HA 0.309 4.866 4.556 0.002 0.000 0.371 947 H C 0.760 176.065 175.328 -0.039 0.000 1.190 947 H CA -0.689 55.396 56.048 0.061 0.000 1.138 947 H CB 1.952 31.652 29.762 -0.103 0.000 1.816 947 H HN -0.199 nan 8.280 nan 0.000 0.551 948 I N 0.869 121.517 120.570 0.131 0.000 2.194 948 I HA -0.305 3.858 4.170 -0.011 0.000 0.246 948 I C 1.879 177.875 176.117 -0.202 0.000 1.093 948 I CA 1.482 62.752 61.300 -0.051 0.000 1.355 948 I CB -0.200 37.679 38.000 -0.201 0.000 1.046 948 I HN 0.674 nan 8.210 nan 0.000 0.413 949 N N 0.093 118.654 118.700 -0.233 0.000 2.550 949 N HA -0.171 4.562 4.740 -0.011 0.000 0.186 949 N C 0.889 176.269 175.510 -0.216 0.000 1.110 949 N CA 0.905 53.796 53.050 -0.265 0.000 0.912 949 N CB -0.582 37.733 38.487 -0.287 0.000 0.968 949 N HN 0.352 nan 8.380 nan 0.000 0.448 950 D N 0.723 121.016 120.400 -0.179 0.000 2.312 950 D HA 0.050 4.683 4.640 -0.011 0.000 0.211 950 D C 0.471 176.679 176.300 -0.152 0.000 0.964 950 D CA 0.197 54.117 54.000 -0.133 0.000 0.877 950 D CB 0.270 41.024 40.800 -0.077 0.000 0.924 950 D HN 0.349 nan 8.370 nan 0.000 0.515 951 L N 1.262 122.335 121.223 -0.250 0.000 2.410 951 L HA 0.190 4.523 4.340 -0.011 0.000 0.273 951 L C 0.514 177.280 176.870 -0.175 0.000 1.144 951 L CA 0.238 54.835 54.840 -0.404 0.000 0.863 951 L CB 0.653 42.105 42.059 -1.010 0.000 1.140 951 L HN -0.228 nan 8.230 nan 0.000 0.463 952 E N 2.302 122.495 120.200 -0.012 0.000 2.288 952 E HA 0.476 4.819 4.350 -0.011 0.000 0.268 952 E C -1.004 175.753 176.600 0.263 0.000 0.885 952 E CA -0.857 55.613 56.400 0.116 0.000 0.767 952 E CB 1.831 31.559 29.700 0.047 0.000 1.220 952 E HN 0.401 nan 8.360 nan 0.000 0.427 953 R N 1.360 121.971 120.500 0.185 0.000 2.500 953 R HA 0.281 4.614 4.340 -0.011 0.000 0.277 953 R C 0.305 176.633 176.300 0.047 0.000 1.026 953 R CA -0.386 55.761 56.100 0.079 0.000 1.058 953 R CB 0.490 30.776 30.300 -0.024 0.000 1.078 953 R HN 0.487 nan 8.270 nan 0.000 0.509 954 N N 0.487 119.201 118.700 0.023 0.000 2.238 954 N HA 0.124 4.858 4.740 -0.011 0.000 0.235 954 N C 0.684 176.201 175.510 0.011 0.000 1.209 954 N CA 0.184 53.248 53.050 0.024 0.000 0.879 954 N CB 1.333 39.841 38.487 0.035 0.000 1.136 954 N HN 0.822 nan 8.380 nan 0.000 0.517 955 G N 0.173 108.971 108.800 -0.003 0.000 2.199 955 G HA2 -0.294 3.660 3.960 -0.011 0.000 0.254 955 G HA3 -0.294 3.660 3.960 -0.011 0.000 0.254 955 G C -0.113 174.790 174.900 0.005 0.000 0.982 955 G CA 0.135 45.234 45.100 -0.000 0.000 0.632 955 G HN 0.544 nan 8.290 nan 0.000 0.529 956 R N -0.030 120.468 120.500 -0.004 0.000 2.837 956 R HA 0.752 5.085 4.340 -0.011 0.000 0.271 956 R C 0.383 176.664 176.300 -0.031 0.000 0.993 956 R CA -0.655 55.450 56.100 0.007 0.000 0.931 956 R CB 1.791 32.104 30.300 0.022 0.000 1.206 956 R HN 0.493 nan 8.270 nan 0.000 0.474 957 I N -1.714 118.843 120.570 -0.021 0.000 2.498 957 I HA 0.504 4.668 4.170 -0.011 0.000 0.301 957 I C -0.645 175.420 176.117 -0.088 0.000 0.984 957 I CA -0.466 60.798 61.300 -0.060 0.000 1.204 957 I CB 2.204 40.182 38.000 -0.036 0.000 1.362 957 I HN 0.346 nan 8.210 nan 0.000 0.471 958 T N 5.394 119.888 114.554 -0.099 0.000 2.749 958 T HA 0.446 4.790 4.350 -0.011 0.000 0.287 958 T C -0.083 174.475 174.700 -0.237 0.000 0.970 958 T CA -0.328 61.674 62.100 -0.164 0.000 0.980 958 T CB 1.240 70.069 68.868 -0.066 0.000 0.924 958 T HN 0.416 nan 8.240 nan 0.000 0.456 959 V N 4.917 124.533 119.914 -0.497 0.000 2.472 959 V HA 0.367 4.481 4.120 -0.011 0.000 0.290 959 V C -0.118 175.621 176.094 -0.591 0.000 1.037 959 V CA -0.816 61.165 62.300 -0.532 0.000 0.908 959 V CB 1.224 32.502 31.823 -0.909 0.000 0.985 959 V HN 0.800 nan 8.190 nan 0.000 0.454 960 H N 5.043 123.994 119.070 -0.197 0.000 2.547 960 H HA 0.535 5.084 4.556 -0.011 0.000 0.342 960 H C -1.000 174.272 175.328 -0.093 0.000 1.048 960 H CA -0.439 55.524 56.048 -0.141 0.000 1.204 960 H CB 1.932 31.631 29.762 -0.106 0.000 1.493 960 H HN 0.443 nan 8.280 nan 0.000 0.511 961 L N 4.237 125.407 121.223 -0.088 0.000 2.294 961 L HA 0.307 4.640 4.340 -0.011 0.000 0.283 961 L C -0.351 176.415 176.870 -0.175 0.000 1.015 961 L CA -0.719 53.943 54.840 -0.297 0.000 0.831 961 L CB 1.280 42.690 42.059 -1.082 0.000 1.217 961 L HN 0.408 nan 8.230 nan 0.000 0.420 962 D N 2.046 122.503 120.400 0.096 0.000 2.308 962 D HA 0.380 5.014 4.640 -0.011 0.000 0.242 962 D C 0.638 177.052 176.300 0.190 0.000 1.059 962 D CA -0.319 53.722 54.000 0.070 0.000 0.830 962 D CB 2.471 43.277 40.800 0.009 0.000 1.161 962 D HN 0.540 nan 8.370 nan 0.000 0.494 963 A N 3.181 125.952 122.820 -0.082 0.000 1.930 963 A HA -0.028 4.285 4.320 -0.011 0.000 0.215 963 A C 0.763 178.314 177.584 -0.056 0.000 1.176 963 A CA 1.143 53.109 52.037 -0.118 0.000 0.632 963 A CB 0.241 18.947 19.000 -0.489 0.000 0.819 963 A HN 0.313 nan 8.150 nan 0.000 0.445 964 K N -0.577 119.756 120.400 -0.113 0.000 2.498 964 K HA 0.488 4.802 4.320 -0.011 0.000 0.254 964 K C -1.316 175.243 176.600 -0.069 0.000 0.933 964 K CA -0.390 55.866 56.287 -0.053 0.000 0.806 964 K CB 2.195 34.670 32.500 -0.040 0.000 1.301 964 K HN 0.432 nan 8.250 nan 0.000 0.432 965 Q N 1.064 120.844 119.800 -0.033 0.000 2.379 965 Q HA 0.614 4.948 4.340 -0.011 0.000 0.278 965 Q C -1.415 174.598 176.000 0.021 0.000 1.068 965 Q CA -0.657 55.118 55.803 -0.046 0.000 0.816 965 Q CB 2.233 30.938 28.738 -0.055 0.000 1.387 965 Q HN 0.766 nan 8.270 nan 0.000 0.413 966 A N 1.755 124.584 122.820 0.015 0.000 2.406 966 A HA 0.576 4.889 4.320 -0.011 0.000 0.243 966 A C 0.603 178.245 177.584 0.097 0.000 1.082 966 A CA 0.472 52.557 52.037 0.080 0.000 0.786 966 A CB -0.053 19.015 19.000 0.114 0.000 1.029 966 A HN 0.865 nan 8.150 nan 0.000 0.495 967 G N -1.586 107.272 108.800 0.097 0.000 2.631 967 G HA2 0.390 4.344 3.960 -0.011 0.000 0.271 967 G HA3 0.390 4.344 3.960 -0.011 0.000 0.271 967 G C 0.879 175.722 174.900 -0.094 0.000 1.302 967 G CA 0.368 45.470 45.100 0.003 0.000 1.002 967 G HN 1.689 nan 8.290 nan 0.000 0.519 968 V N -3.034 116.760 119.914 -0.200 0.000 3.570 968 V HA 0.542 4.656 4.120 -0.011 0.000 0.257 968 V C 1.574 177.555 176.094 -0.189 0.000 1.272 968 V CA 1.121 63.251 62.300 -0.283 0.000 1.079 968 V CB -0.971 30.550 31.823 -0.504 0.000 0.829 968 V HN 2.082 nan 8.190 nan 0.000 0.454 969 G N 1.913 110.630 108.800 -0.140 0.000 2.578 969 G HA2 -0.227 3.727 3.960 -0.011 0.000 0.275 969 G HA3 -0.227 3.727 3.960 -0.011 0.000 0.275 969 G C 0.385 175.233 174.900 -0.087 0.000 1.271 969 G CA 1.214 46.263 45.100 -0.085 0.000 0.941 969 G HN 1.818 nan 8.290 nan 0.000 0.564 970 T N -4.425 110.098 114.554 -0.051 0.000 3.884 970 T HA 0.708 5.052 4.350 -0.011 0.000 0.284 970 T C 1.145 175.811 174.700 -0.057 0.000 0.961 970 T CA 0.903 62.978 62.100 -0.041 0.000 1.071 970 T CB 0.564 69.450 68.868 0.030 0.000 1.121 970 T HN 2.008 nan 8.240 nan 0.000 0.496 971 A N 1.638 124.404 122.820 -0.090 0.000 2.119 971 A HA 0.098 4.411 4.320 -0.011 0.000 0.217 971 A C 2.424 179.934 177.584 -0.124 0.000 1.153 971 A CA 1.462 53.439 52.037 -0.101 0.000 0.692 971 A CB -1.114 17.821 19.000 -0.108 0.000 0.799 971 A HN 0.759 nan 8.150 nan 0.000 0.458 972 T N -3.343 111.135 114.554 -0.127 0.000 2.778 972 T HA -0.146 4.197 4.350 -0.011 0.000 0.269 972 T C 0.739 175.293 174.700 -0.244 0.000 1.050 972 T CA 1.182 63.206 62.100 -0.126 0.000 1.137 972 T CB -0.856 67.920 68.868 -0.154 0.000 0.860 972 T HN 0.681 nan 8.240 nan 0.000 0.468 973 C N 0.756 119.771 119.300 -0.476 0.000 2.817 973 C HA 0.630 5.084 4.460 -0.011 0.000 0.385 973 C C 0.596 175.295 174.990 -0.486 0.000 1.050 973 C CA 0.437 59.071 59.018 -0.641 0.000 1.245 973 C CB 0.435 27.396 27.740 -1.298 0.000 1.706 973 C HN 1.244 nan 8.230 nan 0.000 0.488 974 G N 6.733 115.376 108.800 -0.263 0.000 2.512 974 G HA2 -0.025 3.928 3.960 -0.011 0.000 0.210 974 G HA3 -0.025 3.928 3.960 -0.011 0.000 0.210 974 G C -3.117 171.785 174.900 0.003 0.000 1.295 974 G CA -0.653 44.420 45.100 -0.045 0.000 0.934 974 G HN 0.637 nan 8.290 nan 0.000 0.554 975 P HA 0.446 nan 4.420 nan 0.000 0.267 975 P C 0.813 178.120 177.300 0.011 0.000 1.205 975 P CA 0.920 64.049 63.100 0.047 0.000 0.765 975 P CB 0.747 32.492 31.700 0.075 0.000 0.828 976 G N 1.991 110.782 108.800 -0.015 0.000 2.588 976 G HA2 0.275 4.229 3.960 -0.011 0.000 0.278 976 G HA3 0.275 4.229 3.960 -0.011 0.000 0.278 976 G C -0.445 174.450 174.900 -0.008 0.000 1.307 976 G CA -0.631 44.450 45.100 -0.032 0.000 1.016 976 G HN 0.363 nan 8.290 nan 0.000 0.503 977 V N 0.646 120.556 119.914 -0.007 0.000 2.584 977 V HA -0.043 4.071 4.120 -0.011 0.000 0.303 977 V C 0.970 177.116 176.094 0.088 0.000 1.035 977 V CA 0.309 62.635 62.300 0.042 0.000 1.172 977 V CB -0.231 31.626 31.823 0.058 0.000 0.896 977 V HN 0.383 nan 8.190 nan 0.000 0.486 978 L N 7.545 128.866 121.223 0.163 0.000 2.467 978 L HA 0.135 4.468 4.340 -0.011 0.000 0.270 978 L C -1.066 175.871 176.870 0.112 0.000 1.205 978 L CA -1.207 53.726 54.840 0.155 0.000 0.828 978 L CB 0.172 42.368 42.059 0.229 0.000 1.101 978 L HN 0.449 nan 8.230 nan 0.000 0.479 979 P HA -0.080 nan 4.420 nan 0.000 0.218 979 P C -1.472 175.739 177.300 -0.147 0.000 1.148 979 P CA 1.035 64.104 63.100 -0.050 0.000 0.822 979 P CB -0.610 31.056 31.700 -0.057 0.000 0.784 980 P HA -0.066 nan 4.420 nan 0.000 0.239 980 P C 0.185 177.129 177.300 -0.593 0.000 1.184 980 P CA 1.153 63.921 63.100 -0.553 0.000 0.760 980 P CB -0.420 30.742 31.700 -0.897 0.000 0.884 981 Y N -2.163 118.142 120.300 0.008 0.000 2.500 981 Y HA 0.259 4.803 4.550 -0.011 0.000 0.246 981 Y C 1.080 176.993 175.900 0.022 0.000 1.146 981 Y CA -0.659 57.449 58.100 0.015 0.000 1.230 981 Y CB -0.322 38.146 38.460 0.013 0.000 1.214 981 Y HN -0.177 nan 8.280 nan 0.000 0.526 982 L N 0.410 121.696 121.223 0.106 0.000 2.464 982 L HA 0.234 4.568 4.340 -0.011 0.000 0.264 982 L C 0.038 176.949 176.870 0.068 0.000 1.199 982 L CA -0.730 54.164 54.840 0.090 0.000 0.818 982 L CB 0.635 42.732 42.059 0.063 0.000 1.102 982 L HN -0.240 nan 8.230 nan 0.000 0.473 983 V N 2.810 122.766 119.914 0.070 0.000 2.406 983 V HA 0.193 4.307 4.120 -0.011 0.000 0.272 983 V C -1.808 174.314 176.094 0.046 0.000 1.043 983 V CA -1.519 60.807 62.300 0.045 0.000 0.915 983 V CB 0.772 32.603 31.823 0.014 0.000 0.988 983 V HN 0.630 nan 8.190 nan 0.000 0.466 984 P HA 0.119 nan 4.420 nan 0.000 0.266 984 P C 0.153 177.485 177.300 0.055 0.000 1.195 984 P CA 0.081 63.206 63.100 0.041 0.000 0.768 984 P CB 0.840 32.564 31.700 0.039 0.000 0.838 985 L N 1.043 122.290 121.223 0.040 0.000 2.700 985 L HA 0.271 4.605 4.340 -0.011 0.000 0.234 985 L C 1.513 178.389 176.870 0.010 0.000 1.156 985 L CA -0.216 54.645 54.840 0.036 0.000 0.946 985 L CB -0.202 41.868 42.059 0.018 0.000 1.216 985 L HN 0.421 nan 8.230 nan 0.000 0.493 986 G N 0.473 109.284 108.800 0.018 0.000 2.606 986 G HA2 0.136 4.090 3.960 -0.011 0.000 0.252 986 G HA3 0.136 4.090 3.960 -0.011 0.000 0.252 986 G C -0.242 174.658 174.900 -0.000 0.000 1.206 986 G CA -0.451 44.651 45.100 0.003 0.000 0.861 986 G HN 0.130 nan 8.290 nan 0.000 0.561 987 K N 0.139 120.525 120.400 -0.024 0.000 2.511 987 K HA 0.109 4.422 4.320 -0.011 0.000 0.280 987 K C 0.070 176.694 176.600 0.039 0.000 1.008 987 K CA 0.823 57.096 56.287 -0.023 0.000 1.050 987 K CB 0.153 32.634 32.500 -0.031 0.000 0.889 987 K HN 0.543 nan 8.250 nan 0.000 0.484 988 Q N 1.797 121.653 119.800 0.094 0.000 2.416 988 Q HA 0.371 4.704 4.340 -0.011 0.000 0.281 988 Q C -1.481 174.620 176.000 0.169 0.000 1.067 988 Q CA -0.964 54.929 55.803 0.151 0.000 0.809 988 Q CB 2.837 31.707 28.738 0.220 0.000 1.418 988 Q HN 0.607 nan 8.270 nan 0.000 0.411 989 T N 2.107 116.748 114.554 0.144 0.000 2.879 989 T HA 0.707 5.051 4.350 -0.011 0.000 0.290 989 T C -1.446 173.318 174.700 0.108 0.000 0.993 989 T CA -0.531 61.594 62.100 0.042 0.000 0.975 989 T CB 0.389 69.244 68.868 -0.022 0.000 0.981 989 T HN 0.446 nan 8.240 nan 0.000 0.439 990 F N -0.042 119.896 119.950 -0.020 0.000 2.613 990 F HA 0.882 5.403 4.527 -0.011 0.000 0.310 990 F C -0.372 175.338 175.800 -0.151 0.000 1.085 990 F CA -1.060 56.882 58.000 -0.097 0.000 0.945 990 F CB 1.607 40.559 39.000 -0.080 0.000 1.298 990 F HN 0.501 nan 8.300 nan 0.000 0.455 991 T N 0.197 114.657 114.554 -0.157 0.000 2.912 991 T HA 0.772 5.115 4.350 -0.011 0.000 0.299 991 T C -1.807 172.660 174.700 -0.388 0.000 1.052 991 T CA -0.538 61.433 62.100 -0.215 0.000 0.996 991 T CB 1.252 70.035 68.868 -0.141 0.000 1.070 991 T HN 0.568 nan 8.240 nan 0.000 0.465 992 F N 1.185 121.134 119.950 -0.003 0.000 2.551 992 F HA 0.608 5.128 4.527 -0.011 0.000 0.316 992 F C 0.411 176.196 175.800 -0.024 0.000 1.089 992 F CA -0.670 57.303 58.000 -0.045 0.000 0.915 992 F CB 2.891 41.841 39.000 -0.083 0.000 1.186 992 F HN 0.577 nan 8.300 nan 0.000 0.456 993 T N 4.492 119.169 114.554 0.206 0.000 2.791 993 T HA 0.558 4.902 4.350 -0.011 0.000 0.288 993 T C -0.253 174.574 174.700 0.211 0.000 0.999 993 T CA -0.379 61.814 62.100 0.155 0.000 0.952 993 T CB 0.505 69.479 68.868 0.176 0.000 0.938 993 T HN 0.280 nan 8.240 nan 0.000 0.444 994 I N 3.716 124.319 120.570 0.054 0.000 2.304 994 I HA 0.293 4.457 4.170 -0.011 0.000 0.291 994 I C -0.725 175.412 176.117 0.033 0.000 1.018 994 I CA -0.709 60.642 61.300 0.085 0.000 1.260 994 I CB 0.582 38.557 38.000 -0.042 0.000 1.390 994 I HN 0.625 nan 8.210 nan 0.000 0.475 995 Y N 7.217 127.612 120.300 0.159 0.000 2.491 995 Y HA 0.335 4.878 4.550 -0.011 0.000 0.334 995 Y C -2.155 173.803 175.900 0.097 0.000 0.969 995 Y CA -2.566 55.615 58.100 0.135 0.000 1.241 995 Y CB 0.779 39.370 38.460 0.218 0.000 1.105 995 Y HN 0.393 nan 8.280 nan 0.000 0.503 996 P HA -0.049 nan 4.420 nan 0.000 0.265 996 P C -0.683 176.686 177.300 0.115 0.000 1.187 996 P CA 0.187 63.345 63.100 0.096 0.000 0.766 996 P CB 0.746 32.471 31.700 0.041 0.000 0.820 997 V N -0.946 119.032 119.914 0.107 0.000 3.102 997 V HA 1.007 5.120 4.120 -0.011 0.000 0.312 997 V C -0.642 175.500 176.094 0.079 0.000 1.135 997 V CA -0.684 61.667 62.300 0.085 0.000 1.022 997 V CB 1.628 33.501 31.823 0.083 0.000 1.056 997 V HN 0.589 nan 8.190 nan 0.000 0.436 998 K N 0.000 120.433 120.400 0.054 0.000 2.780 998 K HA 0.000 4.313 4.320 -0.011 0.000 0.191 998 K CA 0.000 56.318 56.287 0.052 0.000 0.838 998 K CB 0.000 32.522 32.500 0.037 0.000 1.064 998 K HN 0.000 nan 8.250 nan 0.000 0.543