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 1wbb_1_A DATA FIRST_RESID 2 DATA SEQUENCE SAIENFDAHT PMMQQYLRLK AQHPEILLFY RMGDFYALFY DDAKRASQLL DATA SEQUENCE DISLTKRGAS AGEPIPMAGI PYHAVENYLA KLVNQGESVA ICEQIGDPAT DATA SEQUENCE SKGPVERKVV RIVTPGTISD EALLQERQDN LLAAIWQDSK GFGYATLDIS DATA SEQUENCE SGRFRLSEPA DRETMAAELQ RTNPAELLYA EDFAEMSLIE GRRGLRRRPL DATA SEQUENCE WEFEIDTARQ QLNLQFGTRD LVGFGVENAP RGLCAAGCLL QYAKDTQRTT DATA SEQUENCE LPHIRSITME REQDSIIMDA ATRRNLEITQ NLAGGAENTL ASVLDCTVTP DATA SEQUENCE MGSRMLKRWL HMPVRDTRVL LERQQTIGAL QDFTAGLQPV LRQVGDLERI DATA SEQUENCE LARLALRTAR PRDLARMRHA FQQLPELRAQ LETVDSAPVQ ALREKMGEFA DATA SEQUENCE ELRDLLERAI IDTPPVLVRD GGVIASGYNE ELDEWRALAD GATDYLERLE DATA SEQUENCE VRERERTGLD TLKVGFNAVH GYYIQISRGQ SHLAPINYMR RQTLKNAERY DATA SEQUENCE IIPELKEYED KVLTSKGKAL ALEKQLYEEL FDLLLPHLEA LQQSASALAE DATA SEQUENCE LDVLVNLAER AYTLNYTCPT FIDKPGIRIT EGRHPVVEQV LNEPFIANPL DATA SEQUENCE NLSPQRRMLI ITGPNMGGKS TYMRQTALIA LMAYIGSYVP AQKVEIGPID DATA SEQUENCE RIFTRVGXXX XXXXXXXXFM VEMTETANIL HNATEYSLVL MDEIGRGTST DATA SEQUENCE YDGLSLAWAC AENLANKIKA LTLFATHYFE LTQLPEKMEG VANVHLDALE DATA SEQUENCE HGDTIAFMHS VQDGAASKSY GLAVAALAGV PKEVIKRARQ KLRELESIS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.605 174.600 0.008 0.000 1.055 2 S CA 0.000 58.207 58.200 0.011 0.000 1.107 2 S CB 0.000 63.207 63.200 0.011 0.000 0.593 3 A N 1.243 124.066 122.820 0.005 0.000 2.287 3 A HA 0.777 5.097 4.320 0.000 0.000 0.273 3 A C 0.023 177.615 177.584 0.013 0.000 1.091 3 A CA -0.303 51.737 52.037 0.005 0.000 0.817 3 A CB 0.096 19.093 19.000 -0.005 0.000 1.069 3 A HN 0.424 nan 8.150 nan 0.000 0.492 4 I N 1.422 122.004 120.570 0.021 0.000 2.406 4 I HA 0.053 4.223 4.170 0.000 0.000 0.293 4 I C 0.390 176.544 176.117 0.061 0.000 1.101 4 I CA 0.371 61.692 61.300 0.035 0.000 1.334 4 I CB 0.513 38.532 38.000 0.031 0.000 1.421 4 I HN 0.588 nan 8.210 nan 0.000 0.513 5 E N 6.542 126.796 120.200 0.089 0.000 2.368 5 E HA 0.052 4.403 4.350 0.000 0.000 0.283 5 E C -0.244 176.500 176.600 0.241 0.000 1.476 5 E CA -0.297 56.233 56.400 0.216 0.000 1.786 5 E CB -0.426 29.393 29.700 0.198 0.000 1.518 5 E HN 0.606 nan 8.360 nan 0.000 0.456 6 N N 0.257 119.047 118.700 0.150 0.000 2.340 6 N HA -0.097 4.643 4.740 0.000 0.000 0.236 6 N C 0.827 176.391 175.510 0.091 0.000 1.296 6 N CA -0.240 52.874 53.050 0.107 0.000 0.896 6 N CB 0.805 39.350 38.487 0.096 0.000 1.127 6 N HN 0.020 nan 8.380 nan 0.000 0.442 7 F N 0.692 120.583 119.950 -0.098 0.000 2.063 7 F HA -0.271 4.256 4.527 0.000 0.000 0.298 7 F C 1.564 177.348 175.800 -0.026 0.000 1.105 7 F CA 2.075 59.987 58.000 -0.145 0.000 1.215 7 F CB -0.157 38.788 39.000 -0.092 0.000 0.972 7 F HN 0.470 nan 8.300 nan 0.000 0.483 8 D N -0.047 120.465 120.400 0.187 0.000 2.310 8 D HA -0.075 4.565 4.640 0.000 0.000 0.212 8 D C 2.158 178.504 176.300 0.077 0.000 0.965 8 D CA 1.084 55.154 54.000 0.117 0.000 0.879 8 D CB -0.474 40.404 40.800 0.130 0.000 0.921 8 D HN 0.396 nan 8.370 nan 0.000 0.510 9 A N 0.182 123.083 122.820 0.135 0.000 2.119 9 A HA -0.072 4.248 4.320 0.000 0.000 0.217 9 A C 0.452 178.081 177.584 0.075 0.000 1.153 9 A CA 0.614 52.719 52.037 0.114 0.000 0.692 9 A CB -0.339 18.733 19.000 0.120 0.000 0.799 9 A HN 0.177 nan 8.150 nan 0.000 0.458 10 H N -0.065 118.927 119.070 -0.129 0.000 2.483 10 H HA 0.436 4.992 4.556 0.000 0.000 0.338 10 H C 0.807 176.033 175.328 -0.170 0.000 1.152 10 H CA 0.033 55.985 56.048 -0.160 0.000 1.264 10 H CB 0.723 30.350 29.762 -0.224 0.000 1.510 10 H HN 0.214 nan 8.280 nan 0.000 0.530 11 T N -0.014 114.515 114.554 -0.041 0.000 2.900 11 T HA 0.045 4.395 4.350 0.000 0.000 0.307 11 T C -1.647 173.015 174.700 -0.062 0.000 1.065 11 T CA -1.436 60.628 62.100 -0.060 0.000 1.105 11 T CB 0.745 69.565 68.868 -0.081 0.000 0.979 11 T HN 0.325 nan 8.240 nan 0.000 0.544 12 P HA -0.183 nan 4.420 nan 0.000 0.217 12 P C 1.797 179.099 177.300 0.002 0.000 1.151 12 P CA 1.185 64.267 63.100 -0.030 0.000 0.849 12 P CB -0.088 31.616 31.700 0.007 0.000 0.787 13 M N -1.800 117.810 119.600 0.016 0.000 2.067 13 M HA -0.162 4.318 4.480 0.000 0.000 0.260 13 M C 1.653 177.978 176.300 0.042 0.000 1.069 13 M CA 2.095 57.436 55.300 0.068 0.000 1.117 13 M CB -0.380 32.245 32.600 0.041 0.000 1.334 13 M HN -0.147 nan 8.290 nan 0.000 0.407 14 M N 0.117 119.694 119.600 -0.037 0.000 2.394 14 M HA -0.123 4.357 4.480 0.000 0.000 0.264 14 M C 1.907 178.256 176.300 0.081 0.000 1.073 14 M CA 1.423 56.727 55.300 0.006 0.000 1.111 14 M CB -1.236 31.355 32.600 -0.014 0.000 1.401 14 M HN 0.440 nan 8.290 nan 0.000 0.448 15 Q N -0.190 119.573 119.800 -0.063 0.000 2.050 15 Q HA -0.223 4.117 4.340 0.000 0.000 0.202 15 Q C 2.139 178.138 176.000 -0.001 0.000 0.980 15 Q CA 1.522 57.183 55.803 -0.236 0.000 0.840 15 Q CB -0.195 28.226 28.738 -0.528 0.000 0.898 15 Q HN 0.586 nan 8.270 nan 0.000 0.424 16 Q N -0.214 119.635 119.800 0.081 0.000 2.083 16 Q HA -0.201 4.139 4.340 0.000 0.000 0.198 16 Q C 1.934 178.049 176.000 0.193 0.000 0.969 16 Q CA 1.132 57.034 55.803 0.165 0.000 0.838 16 Q CB -0.104 28.763 28.738 0.214 0.000 0.900 16 Q HN 0.459 nan 8.270 nan 0.000 0.436 17 Y N 0.811 121.129 120.300 0.030 0.000 2.224 17 Y HA -0.187 4.363 4.550 0.000 0.000 0.289 17 Y C 1.689 177.607 175.900 0.030 0.000 1.146 17 Y CA 1.473 59.514 58.100 -0.099 0.000 1.182 17 Y CB -0.104 38.106 38.460 -0.417 0.000 0.983 17 Y HN 0.099 nan 8.280 nan 0.000 0.524 18 L N -0.351 120.887 121.223 0.024 0.000 2.179 18 L HA -0.112 4.228 4.340 0.000 0.000 0.208 18 L C 2.576 179.403 176.870 -0.071 0.000 1.096 18 L CA 0.929 55.742 54.840 -0.045 0.000 0.779 18 L CB -0.404 41.687 42.059 0.053 0.000 0.922 18 L HN 0.116 nan 8.230 nan 0.000 0.443 19 R N 0.026 120.523 120.500 -0.004 0.000 2.092 19 R HA -0.115 4.226 4.340 0.000 0.000 0.231 19 R C 2.247 178.531 176.300 -0.027 0.000 1.119 19 R CA 1.161 57.268 56.100 0.012 0.000 0.970 19 R CB -0.346 29.997 30.300 0.071 0.000 0.864 19 R HN 0.318 nan 8.270 nan 0.000 0.440 20 L N 0.546 121.755 121.223 -0.024 0.000 2.093 20 L HA -0.138 4.202 4.340 0.000 0.000 0.208 20 L C 2.465 179.308 176.870 -0.045 0.000 1.085 20 L CA 1.033 55.877 54.840 0.006 0.000 0.755 20 L CB -0.294 41.829 42.059 0.107 0.000 0.904 20 L HN 0.002 nan 8.230 nan 0.000 0.435 21 K N 0.920 121.196 120.400 -0.206 0.000 2.097 21 K HA -0.068 4.252 4.320 0.000 0.000 0.205 21 K C 2.003 178.549 176.600 -0.089 0.000 1.050 21 K CA 1.468 57.640 56.287 -0.192 0.000 0.938 21 K CB -0.372 31.878 32.500 -0.417 0.000 0.718 21 K HN 0.182 nan 8.250 nan 0.000 0.442 22 A N 0.431 123.191 122.820 -0.099 0.000 2.024 22 A HA -0.187 4.133 4.320 0.000 0.000 0.220 22 A C 1.925 179.434 177.584 -0.125 0.000 1.164 22 A CA 1.646 53.637 52.037 -0.077 0.000 0.643 22 A CB -0.492 18.476 19.000 -0.055 0.000 0.806 22 A HN 0.534 nan 8.150 nan 0.000 0.451 23 Q N -1.010 118.651 119.800 -0.231 0.000 2.472 23 Q HA -0.018 4.322 4.340 0.000 0.000 0.208 23 Q C -0.409 175.121 176.000 -0.783 0.000 0.958 23 Q CA 0.646 56.162 55.803 -0.479 0.000 0.932 23 Q CB 0.215 28.601 28.738 -0.587 0.000 1.007 23 Q HN 0.777 nan 8.270 nan 0.000 0.508 24 H N -2.131 116.934 119.070 -0.009 0.000 2.806 24 H HA 0.155 4.711 4.556 0.000 0.000 0.218 24 H C -2.223 173.108 175.328 0.004 0.000 1.392 24 H CA -1.546 54.499 56.048 -0.004 0.000 1.358 24 H CB 0.887 30.640 29.762 -0.014 0.000 1.944 24 H HN 0.109 nan 8.280 nan 0.000 0.530 25 P HA -0.012 nan 4.420 nan 0.000 0.221 25 P C 1.070 178.412 177.300 0.070 0.000 1.155 25 P CA 0.941 64.073 63.100 0.053 0.000 0.812 25 P CB 0.724 32.441 31.700 0.029 0.000 0.801 26 E N -0.596 119.649 120.200 0.074 0.000 2.479 26 E HA 0.144 4.494 4.350 0.000 0.000 0.193 26 E C 0.688 177.330 176.600 0.071 0.000 1.049 26 E CA -0.137 56.304 56.400 0.069 0.000 0.870 26 E CB -0.080 29.656 29.700 0.060 0.000 0.944 26 E HN 0.363 nan 8.360 nan 0.000 0.492 27 I N -3.029 117.589 120.570 0.080 0.000 2.934 27 I HA 0.351 4.521 4.170 0.000 0.000 0.306 27 I C -0.598 175.552 176.117 0.054 0.000 1.110 27 I CA -1.310 60.021 61.300 0.052 0.000 1.019 27 I CB 1.437 39.450 38.000 0.022 0.000 1.227 27 I HN -0.278 nan 8.210 nan 0.000 0.434 28 L N 3.685 124.921 121.223 0.022 0.000 2.490 28 L HA 0.202 4.542 4.340 0.000 0.000 0.274 28 L C -0.460 176.427 176.870 0.028 0.000 1.201 28 L CA -0.158 54.712 54.840 0.049 0.000 0.869 28 L CB 0.697 42.768 42.059 0.019 0.000 1.123 28 L HN 0.486 nan 8.230 nan 0.000 0.484 29 L N 4.537 125.859 121.223 0.165 0.000 2.316 29 L HA 0.480 4.820 4.340 0.000 0.000 0.280 29 L C -0.755 176.371 176.870 0.426 0.000 1.006 29 L CA -0.008 54.960 54.840 0.213 0.000 0.836 29 L CB 0.692 42.886 42.059 0.224 0.000 1.221 29 L HN 0.140 nan 8.230 nan 0.000 0.418 30 F N 5.257 125.265 119.950 0.097 0.000 2.445 30 F HA 0.243 4.770 4.527 0.000 0.000 0.359 30 F C -0.354 175.648 175.800 0.337 0.000 1.101 30 F CA -0.336 57.741 58.000 0.128 0.000 1.177 30 F CB 0.502 39.413 39.000 -0.147 0.000 1.110 30 F HN 0.451 nan 8.300 nan 0.000 0.522 31 Y N 4.517 125.064 120.300 0.410 0.000 2.447 31 Y HA 0.464 5.014 4.550 0.000 0.000 0.325 31 Y C 0.065 176.138 175.900 0.289 0.000 0.976 31 Y CA -1.392 56.932 58.100 0.372 0.000 1.280 31 Y CB 0.325 39.045 38.460 0.433 0.000 1.104 31 Y HN 0.514 nan 8.280 nan 0.000 0.486 32 R N 5.606 126.100 120.500 -0.009 0.000 2.480 32 R HA 0.170 4.510 4.340 0.000 0.000 0.303 32 R C -1.129 174.981 176.300 -0.318 0.000 0.985 32 R CA 0.677 56.640 56.100 -0.228 0.000 1.051 32 R CB -0.158 30.013 30.300 -0.215 0.000 0.935 32 R HN 0.843 nan 8.270 nan 0.000 0.410 33 M N 5.129 124.636 119.600 -0.155 0.000 2.090 33 M HA 0.246 4.726 4.480 0.000 0.000 0.277 33 M C 0.425 176.718 176.300 -0.011 0.000 0.935 33 M CA 0.174 55.439 55.300 -0.058 0.000 0.966 33 M CB 1.604 34.260 32.600 0.092 0.000 1.635 33 M HN 0.885 nan 8.290 nan 0.000 0.446 34 G N 3.745 112.516 108.800 -0.048 0.000 2.622 34 G HA2 -0.327 3.633 3.960 0.000 0.000 0.307 34 G HA3 -0.327 3.633 3.960 0.000 0.000 0.307 34 G C 0.141 175.007 174.900 -0.056 0.000 1.226 34 G CA 0.832 45.916 45.100 -0.027 0.000 0.997 34 G HN 0.708 nan 8.290 nan 0.000 0.551 35 D N 0.675 121.125 120.400 0.083 0.000 2.325 35 D HA 0.484 5.124 4.640 0.000 0.000 0.234 35 D C -0.158 176.120 176.300 -0.036 0.000 1.122 35 D CA 0.287 54.321 54.000 0.057 0.000 0.850 35 D CB -0.138 40.739 40.800 0.128 0.000 0.921 35 D HN 0.189 nan 8.370 nan 0.000 0.513 36 F N -0.387 119.486 119.950 -0.129 0.000 2.581 36 F HA 0.325 4.852 4.527 0.000 0.000 0.311 36 F C -0.752 174.876 175.800 -0.287 0.000 1.113 36 F CA -1.154 56.753 58.000 -0.155 0.000 0.935 36 F CB 1.187 40.127 39.000 -0.100 0.000 1.232 36 F HN -0.245 nan 8.300 nan 0.000 0.445 37 Y N 2.222 122.544 120.300 0.036 0.000 2.393 37 Y HA 0.567 5.117 4.550 0.000 0.000 0.338 37 Y C 0.449 176.259 175.900 -0.151 0.000 1.029 37 Y CA -0.595 57.458 58.100 -0.079 0.000 1.239 37 Y CB 0.597 38.891 38.460 -0.276 0.000 1.170 37 Y HN 0.610 nan 8.280 nan 0.000 0.515 38 A N 4.312 127.158 122.820 0.044 0.000 2.320 38 A HA 0.887 5.207 4.320 0.000 0.000 0.334 38 A C -1.222 176.153 177.584 -0.348 0.000 1.147 38 A CA -0.636 51.261 52.037 -0.233 0.000 0.820 38 A CB 0.756 19.574 19.000 -0.303 0.000 1.218 38 A HN 0.704 nan 8.150 nan 0.000 0.482 39 L N 0.326 121.186 121.223 -0.606 0.000 2.333 39 L HA 0.810 5.150 4.340 0.000 0.000 0.263 39 L C -1.002 175.325 176.870 -0.903 0.000 1.014 39 L CA -0.105 54.445 54.840 -0.484 0.000 0.820 39 L CB 1.712 43.706 42.059 -0.109 0.000 1.352 39 L HN 0.649 nan 8.230 nan 0.000 0.421 40 F N -0.526 119.358 119.950 -0.109 0.000 2.620 40 F HA 0.711 5.238 4.527 0.000 0.000 0.320 40 F C -0.091 175.687 175.800 -0.036 0.000 1.069 40 F CA -1.011 56.802 58.000 -0.312 0.000 0.953 40 F CB 0.953 39.495 39.000 -0.763 0.000 1.322 40 F HN 0.376 nan 8.300 nan 0.000 0.479 41 Y N -0.640 119.775 120.300 0.192 0.000 2.892 41 Y HA -0.380 4.170 4.550 0.000 0.000 0.465 41 Y C 1.573 177.536 175.900 0.106 0.000 1.195 41 Y CA 1.061 59.239 58.100 0.129 0.000 2.512 41 Y CB -1.425 37.125 38.460 0.151 0.000 1.230 41 Y HN 0.552 nan 8.280 nan 0.000 0.633 42 D N -0.080 120.499 120.400 0.299 0.000 2.264 42 D HA -0.056 4.584 4.640 0.000 0.000 0.208 42 D C 1.447 177.837 176.300 0.150 0.000 0.966 42 D CA 1.378 55.484 54.000 0.176 0.000 0.864 42 D CB -0.441 40.444 40.800 0.141 0.000 0.933 42 D HN 0.412 nan 8.370 nan 0.000 0.499 43 D N 0.359 120.872 120.400 0.188 0.000 2.097 43 D HA -0.108 4.532 4.640 0.000 0.000 0.195 43 D C 2.047 178.405 176.300 0.096 0.000 0.989 43 D CA 1.375 55.470 54.000 0.157 0.000 0.827 43 D CB -0.298 40.630 40.800 0.214 0.000 0.966 43 D HN 0.146 nan 8.370 nan 0.000 0.456 44 A N 0.983 123.839 122.820 0.059 0.000 1.908 44 A HA -0.239 4.081 4.320 0.000 0.000 0.218 44 A C 2.026 179.618 177.584 0.014 0.000 1.181 44 A CA 1.662 53.692 52.037 -0.011 0.000 0.627 44 A CB -0.378 18.588 19.000 -0.055 0.000 0.818 44 A HN 0.179 nan 8.150 nan 0.000 0.445 45 K N -0.950 119.476 120.400 0.043 0.000 2.025 45 K HA -0.144 4.176 4.320 0.000 0.000 0.207 45 K C 2.380 179.005 176.600 0.043 0.000 1.049 45 K CA 1.482 57.793 56.287 0.040 0.000 0.933 45 K CB -0.199 32.334 32.500 0.055 0.000 0.714 45 K HN 0.400 nan 8.250 nan 0.000 0.438 46 R N 1.130 121.665 120.500 0.058 0.000 2.080 46 R HA -0.164 4.176 4.340 0.000 0.000 0.236 46 R C 2.287 178.621 176.300 0.058 0.000 1.137 46 R CA 1.699 57.835 56.100 0.060 0.000 0.943 46 R CB -0.453 29.890 30.300 0.072 0.000 0.846 46 R HN 0.251 nan 8.270 nan 0.000 0.431 47 A N -0.447 122.410 122.820 0.061 0.000 1.948 47 A HA -0.226 4.094 4.320 0.000 0.000 0.220 47 A C 2.211 179.813 177.584 0.029 0.000 1.177 47 A CA 2.094 54.165 52.037 0.058 0.000 0.636 47 A CB -0.994 18.034 19.000 0.046 0.000 0.815 47 A HN 0.496 nan 8.150 nan 0.000 0.449 48 S N -0.813 114.896 115.700 0.014 0.000 2.368 48 S HA -0.243 4.227 4.470 0.000 0.000 0.225 48 S C 2.158 176.774 174.600 0.026 0.000 1.030 48 S CA 1.811 60.016 58.200 0.007 0.000 0.999 48 S CB -0.353 62.848 63.200 0.001 0.000 0.844 48 S HN 0.712 nan 8.310 nan 0.000 0.459 49 Q N 0.312 120.132 119.800 0.034 0.000 2.046 49 Q HA 0.010 4.350 4.340 0.000 0.000 0.200 49 Q C 2.358 178.387 176.000 0.048 0.000 0.975 49 Q CA 1.573 57.398 55.803 0.038 0.000 0.836 49 Q CB -0.289 28.472 28.738 0.037 0.000 0.896 49 Q HN 0.496 nan 8.270 nan 0.000 0.428 50 L N 0.107 121.365 121.223 0.057 0.000 2.027 50 L HA -0.146 4.194 4.340 0.000 0.000 0.206 50 L C 2.156 179.081 176.870 0.093 0.000 1.074 50 L CA 1.047 55.929 54.840 0.070 0.000 0.745 50 L CB -0.331 41.774 42.059 0.076 0.000 0.898 50 L HN 0.254 nan 8.230 nan 0.000 0.433 51 L N -1.142 120.148 121.223 0.111 0.000 2.509 51 L HA 0.042 4.383 4.340 0.000 0.000 0.222 51 L C 0.208 177.176 176.870 0.164 0.000 1.123 51 L CA 0.015 54.965 54.840 0.183 0.000 0.856 51 L CB -0.268 41.893 42.059 0.171 0.000 0.985 51 L HN 0.264 nan 8.230 nan 0.000 0.456 52 D N 1.112 121.567 120.400 0.092 0.000 2.737 52 D HA -0.173 4.467 4.640 0.000 0.000 0.243 52 D C -0.270 176.071 176.300 0.068 0.000 1.109 52 D CA 0.538 54.581 54.000 0.072 0.000 0.702 52 D CB -0.780 40.065 40.800 0.075 0.000 1.068 52 D HN 0.498 nan 8.370 nan 0.000 0.432 53 I N -3.691 116.897 120.570 0.030 0.000 3.067 53 I HA 0.646 4.816 4.170 0.000 0.000 0.312 53 I C 0.188 176.296 176.117 -0.017 0.000 1.073 53 I CA -1.069 60.228 61.300 -0.005 0.000 1.016 53 I CB 2.001 39.952 38.000 -0.081 0.000 1.227 53 I HN 0.007 nan 8.210 nan 0.000 0.456 54 S N 2.443 118.128 115.700 -0.025 0.000 2.531 54 S HA 0.364 4.835 4.470 0.000 0.000 0.279 54 S C -0.486 174.090 174.600 -0.040 0.000 1.305 54 S CA -0.529 57.656 58.200 -0.025 0.000 1.058 54 S CB 0.356 63.542 63.200 -0.024 0.000 0.899 54 S HN 0.493 nan 8.310 nan 0.000 0.493 55 L N 5.984 127.190 121.223 -0.029 0.000 2.264 55 L HA 0.662 5.002 4.340 0.000 0.000 0.289 55 L C 0.194 177.043 176.870 -0.035 0.000 1.044 55 L CA 0.607 55.427 54.840 -0.033 0.000 0.807 55 L CB 1.208 43.258 42.059 -0.016 0.000 1.192 55 L HN 0.779 nan 8.230 nan 0.000 0.425 56 T N 3.595 118.120 114.554 -0.049 0.000 2.590 56 T HA 0.629 4.979 4.350 0.000 0.000 0.282 56 T C -1.448 173.220 174.700 -0.054 0.000 0.989 56 T CA -0.716 61.354 62.100 -0.050 0.000 1.091 56 T CB 1.087 69.919 68.868 -0.060 0.000 1.460 56 T HN 0.579 nan 8.240 nan 0.000 0.499 57 K N 1.757 122.122 120.400 -0.057 0.000 2.427 57 K HA 0.422 4.743 4.320 0.000 0.000 0.252 57 K C -0.942 175.618 176.600 -0.068 0.000 0.931 57 K CA -0.844 55.404 56.287 -0.063 0.000 0.793 57 K CB 2.454 34.918 32.500 -0.060 0.000 1.211 57 K HN 0.608 nan 8.250 nan 0.000 0.426 58 R N 1.083 121.539 120.500 -0.074 0.000 2.234 58 R HA 0.239 4.579 4.340 0.000 0.000 0.324 58 R C 0.192 176.424 176.300 -0.113 0.000 1.054 58 R CA -0.144 55.903 56.100 -0.088 0.000 0.912 58 R CB 0.589 30.831 30.300 -0.096 0.000 1.030 58 R HN 0.819 nan 8.270 nan 0.000 0.455 59 G N 2.133 110.877 108.800 -0.093 0.000 2.630 59 G HA2 0.374 4.334 3.960 0.000 0.000 0.236 59 G HA3 0.374 4.334 3.960 0.000 0.000 0.236 59 G C -0.916 173.923 174.900 -0.102 0.000 1.248 59 G CA 0.008 45.057 45.100 -0.086 0.000 0.844 59 G HN 0.807 nan 8.290 nan 0.000 0.588 60 A N 0.296 123.062 122.820 -0.090 0.000 2.488 60 A HA 0.624 4.944 4.320 0.000 0.000 0.295 60 A C 0.606 178.147 177.584 -0.073 0.000 1.045 60 A CA 0.361 52.340 52.037 -0.097 0.000 0.703 60 A CB 1.509 20.439 19.000 -0.116 0.000 1.271 60 A HN 1.096 nan 8.150 nan 0.000 0.400 61 S N 1.487 117.146 115.700 -0.068 0.000 2.388 61 S HA 0.190 4.660 4.470 0.000 0.000 0.223 61 S C 1.067 175.638 174.600 -0.048 0.000 1.034 61 S CA 1.343 59.512 58.200 -0.052 0.000 0.963 61 S CB -0.169 63.004 63.200 -0.045 0.000 0.827 61 S HN 1.868 nan 8.310 nan 0.000 0.481 62 A N 0.773 123.558 122.820 -0.058 0.000 2.621 62 A HA 0.650 4.970 4.320 0.000 0.000 0.329 62 A C 1.020 178.568 177.584 -0.060 0.000 1.458 62 A CA 0.087 52.092 52.037 -0.053 0.000 1.052 62 A CB -0.994 17.974 19.000 -0.053 0.000 1.142 62 A HN 1.207 nan 8.150 nan 0.000 0.523 63 G N 1.383 110.156 108.800 -0.046 0.000 2.554 63 G HA2 -0.169 3.791 3.960 0.000 0.000 0.253 63 G HA3 -0.169 3.791 3.960 0.000 0.000 0.253 63 G C -0.167 174.709 174.900 -0.041 0.000 1.172 63 G CA -0.123 44.953 45.100 -0.040 0.000 0.950 63 G HN 0.705 nan 8.290 nan 0.000 0.557 64 E N 2.870 123.047 120.200 -0.038 0.000 2.383 64 E HA 0.400 4.750 4.350 0.000 0.000 0.264 64 E C -1.806 174.764 176.600 -0.050 0.000 1.050 64 E CA -0.936 55.447 56.400 -0.028 0.000 0.896 64 E CB 0.930 30.630 29.700 -0.001 0.000 0.982 64 E HN 0.408 nan 8.360 nan 0.000 0.424 65 P HA 0.253 nan 4.420 nan 0.000 0.278 65 P C -0.279 176.964 177.300 -0.095 0.000 1.238 65 P CA -0.142 62.912 63.100 -0.076 0.000 0.794 65 P CB 0.629 32.294 31.700 -0.059 0.000 0.955 66 I N 4.476 124.942 120.570 -0.174 0.000 2.304 66 I HA 0.222 4.392 4.170 0.000 0.000 0.291 66 I C -2.035 173.942 176.117 -0.233 0.000 1.018 66 I CA -2.612 58.502 61.300 -0.310 0.000 1.260 66 I CB 0.943 38.608 38.000 -0.558 0.000 1.390 66 I HN 0.123 nan 8.210 nan 0.000 0.475 67 P HA 0.048 nan 4.420 nan 0.000 0.263 67 P C -0.667 176.592 177.300 -0.069 0.000 1.175 67 P CA 0.243 63.290 63.100 -0.089 0.000 0.761 67 P CB 0.474 32.158 31.700 -0.026 0.000 0.794 68 M N 2.213 121.782 119.600 -0.052 0.000 2.465 68 M HA 0.694 5.174 4.480 0.000 0.000 0.284 68 M C -2.040 174.180 176.300 -0.133 0.000 1.212 68 M CA -0.586 54.665 55.300 -0.081 0.000 0.910 68 M CB 2.377 34.985 32.600 0.013 0.000 1.725 68 M HN 0.434 nan 8.290 nan 0.000 0.477 69 A N 2.035 124.729 122.820 -0.211 0.000 2.594 69 A HA 1.039 5.359 4.320 0.000 0.000 0.291 69 A C -0.897 176.544 177.584 -0.239 0.000 1.105 69 A CA -0.061 51.866 52.037 -0.183 0.000 0.694 69 A CB 1.910 20.828 19.000 -0.136 0.000 1.291 69 A HN 1.201 nan 8.150 nan 0.000 0.410 70 G N -1.057 107.628 108.800 -0.192 0.000 2.495 70 G HA2 0.707 4.667 3.960 0.000 0.000 0.294 70 G HA3 0.707 4.667 3.960 0.000 0.000 0.294 70 G C -1.514 173.333 174.900 -0.088 0.000 1.397 70 G CA 0.160 45.164 45.100 -0.160 0.000 0.790 70 G HN 1.860 nan 8.290 nan 0.000 0.486 71 I N -2.355 118.184 120.570 -0.051 0.000 2.802 71 I HA 0.677 4.847 4.170 0.000 0.000 0.298 71 I C -2.789 173.169 176.117 -0.265 0.000 1.176 71 I CA -2.847 58.345 61.300 -0.180 0.000 1.025 71 I CB 2.744 40.418 38.000 -0.543 0.000 1.243 71 I HN 0.294 nan 8.210 nan 0.000 0.424 72 P HA -0.006 nan 4.420 nan 0.000 0.268 72 P C 0.204 177.200 177.300 -0.505 0.000 1.204 72 P CA 0.123 62.693 63.100 -0.883 0.000 0.768 72 P CB 0.302 31.476 31.700 -0.877 0.000 0.842 73 Y N 3.773 123.857 120.300 -0.360 0.000 2.241 73 Y HA -0.286 4.264 4.550 0.000 0.000 0.286 73 Y C 2.186 178.120 175.900 0.057 0.000 1.166 73 Y CA 1.977 60.004 58.100 -0.122 0.000 1.203 73 Y CB -1.970 36.341 38.460 -0.248 0.000 0.977 73 Y HN 0.527 nan 8.280 nan 0.000 0.529 74 H N -0.872 117.570 119.070 -1.047 0.000 2.546 74 H HA 0.387 4.943 4.556 0.000 0.000 0.277 74 H C 1.630 176.790 175.328 -0.280 0.000 1.004 74 H CA 0.589 56.172 56.048 -0.776 0.000 1.231 74 H CB -0.182 29.066 29.762 -0.857 0.000 1.382 74 H HN 0.372 nan 8.280 nan 0.000 0.580 75 A N 1.110 123.651 122.820 -0.465 0.000 2.387 75 A HA 0.244 4.564 4.320 0.000 0.000 0.234 75 A C 2.044 179.658 177.584 0.050 0.000 1.253 75 A CA 0.267 52.185 52.037 -0.198 0.000 0.894 75 A CB -0.412 18.472 19.000 -0.194 0.000 0.963 75 A HN 0.340 nan 8.150 nan 0.000 0.508 76 V N 0.214 120.183 119.914 0.091 0.000 2.295 76 V HA -0.214 3.906 4.120 0.000 0.000 0.246 76 V C 2.318 178.510 176.094 0.163 0.000 1.049 76 V CA 2.632 65.058 62.300 0.209 0.000 1.024 76 V CB -0.354 31.605 31.823 0.226 0.000 0.648 76 V HN 0.604 nan 8.190 nan 0.000 0.447 77 E N 0.365 120.608 120.200 0.072 0.000 2.171 77 E HA -0.211 4.139 4.350 0.000 0.000 0.197 77 E C 2.030 178.622 176.600 -0.012 0.000 0.997 77 E CA 1.499 57.916 56.400 0.028 0.000 0.810 77 E CB -0.581 29.123 29.700 0.007 0.000 0.738 77 E HN 0.710 nan 8.360 nan 0.000 0.467 78 N N -0.027 118.627 118.700 -0.077 0.000 2.188 78 N HA -0.135 4.605 4.740 0.000 0.000 0.184 78 N C 1.855 177.225 175.510 -0.234 0.000 1.018 78 N CA 0.882 53.812 53.050 -0.201 0.000 0.858 78 N CB -0.276 38.008 38.487 -0.339 0.000 0.989 78 N HN 0.276 nan 8.380 nan 0.000 0.426 79 Y N 1.624 121.941 120.300 0.027 0.000 2.263 79 Y HA 0.060 4.610 4.550 0.000 0.000 0.292 79 Y C 2.432 178.381 175.900 0.083 0.000 1.130 79 Y CA 0.421 58.565 58.100 0.073 0.000 1.179 79 Y CB -0.584 37.943 38.460 0.112 0.000 0.998 79 Y HN -0.040 nan 8.280 nan 0.000 0.532 80 L N -0.815 120.521 121.223 0.188 0.000 2.079 80 L HA -0.281 4.059 4.340 0.000 0.000 0.210 80 L C 2.600 179.480 176.870 0.017 0.000 1.081 80 L CA 1.184 56.056 54.840 0.054 0.000 0.752 80 L CB -0.779 41.282 42.059 0.003 0.000 0.896 80 L HN 0.258 nan 8.230 nan 0.000 0.433 81 A N -0.216 122.608 122.820 0.007 0.000 1.898 81 A HA -0.172 4.148 4.320 0.000 0.000 0.216 81 A C 2.331 179.913 177.584 -0.003 0.000 1.181 81 A CA 1.277 53.306 52.037 -0.014 0.000 0.620 81 A CB -0.284 18.695 19.000 -0.036 0.000 0.819 81 A HN 0.247 nan 8.150 nan 0.000 0.442 82 K N -0.393 120.012 120.400 0.009 0.000 2.103 82 K HA -0.100 4.220 4.320 0.000 0.000 0.207 82 K C 1.874 178.499 176.600 0.042 0.000 1.048 82 K CA 1.373 57.677 56.287 0.029 0.000 0.930 82 K CB -0.396 32.141 32.500 0.061 0.000 0.716 82 K HN 0.506 nan 8.250 nan 0.000 0.444 83 L N 0.002 121.255 121.223 0.050 0.000 2.049 83 L HA -0.107 4.233 4.340 0.000 0.000 0.203 83 L C 2.428 179.300 176.870 0.003 0.000 1.074 83 L CA 0.525 55.383 54.840 0.030 0.000 0.749 83 L CB -0.492 41.573 42.059 0.011 0.000 0.907 83 L HN -0.041 nan 8.230 nan 0.000 0.439 84 V N 0.411 120.318 119.914 -0.011 0.000 2.626 84 V HA -0.212 3.908 4.120 0.000 0.000 0.252 84 V C 2.141 178.232 176.094 -0.006 0.000 1.067 84 V CA 1.647 63.937 62.300 -0.017 0.000 1.081 84 V CB -0.482 31.325 31.823 -0.026 0.000 0.686 84 V HN 0.488 nan 8.190 nan 0.000 0.468 85 N N -0.004 118.695 118.700 -0.002 0.000 2.396 85 N HA -0.104 4.636 4.740 0.000 0.000 0.180 85 N C 1.492 177.005 175.510 0.005 0.000 1.028 85 N CA 1.053 54.103 53.050 -0.000 0.000 0.893 85 N CB -0.075 38.411 38.487 -0.001 0.000 0.967 85 N HN 0.668 nan 8.380 nan 0.000 0.440 86 Q N -0.476 119.330 119.800 0.010 0.000 2.320 86 Q HA 0.232 4.572 4.340 0.000 0.000 0.201 86 Q C 0.572 176.580 176.000 0.013 0.000 0.910 86 Q CA 0.048 55.860 55.803 0.014 0.000 0.946 86 Q CB 0.608 29.359 28.738 0.022 0.000 1.062 86 Q HN 0.266 nan 8.270 nan 0.000 0.503 87 G N 1.286 110.090 108.800 0.008 0.000 2.147 87 G HA2 -0.222 3.738 3.960 0.000 0.000 0.244 87 G HA3 -0.222 3.738 3.960 0.000 0.000 0.244 87 G C -0.323 174.583 174.900 0.009 0.000 1.005 87 G CA -0.162 44.943 45.100 0.009 0.000 0.713 87 G HN 0.245 nan 8.290 nan 0.000 0.515 88 E N 0.626 120.826 120.200 0.001 0.000 2.216 88 E HA 0.499 4.849 4.350 0.000 0.000 0.279 88 E C 0.103 176.683 176.600 -0.033 0.000 0.997 88 E CA -0.275 56.121 56.400 -0.007 0.000 0.817 88 E CB 1.560 31.256 29.700 -0.007 0.000 1.096 88 E HN 0.192 nan 8.360 nan 0.000 0.393 89 S N 1.026 116.707 115.700 -0.033 0.000 2.610 89 S HA 0.452 4.923 4.470 0.000 0.000 0.273 89 S C -0.141 174.374 174.600 -0.141 0.000 1.274 89 S CA -0.706 57.451 58.200 -0.071 0.000 1.023 89 S CB 1.041 64.222 63.200 -0.032 0.000 0.962 89 S HN 0.271 nan 8.310 nan 0.000 0.523 90 V N 1.216 120.991 119.914 -0.232 0.000 2.623 90 V HA 0.673 4.793 4.120 0.000 0.000 0.304 90 V C -0.197 175.677 176.094 -0.367 0.000 1.054 90 V CA -1.102 60.972 62.300 -0.378 0.000 0.882 90 V CB 1.381 32.795 31.823 -0.682 0.000 1.002 90 V HN 0.961 nan 8.190 nan 0.000 0.424 91 A N 5.873 128.488 122.820 -0.341 0.000 2.309 91 A HA 0.757 5.077 4.320 0.000 0.000 0.290 91 A C -0.321 177.122 177.584 -0.235 0.000 1.206 91 A CA -0.335 51.486 52.037 -0.360 0.000 0.850 91 A CB 0.055 18.736 19.000 -0.532 0.000 1.118 91 A HN 0.637 nan 8.150 nan 0.000 0.523 92 I N 2.711 123.164 120.570 -0.195 0.000 2.312 92 I HA 0.191 4.361 4.170 0.000 0.000 0.291 92 I C 0.330 176.473 176.117 0.044 0.000 1.031 92 I CA -0.413 60.835 61.300 -0.087 0.000 1.293 92 I CB 0.430 38.356 38.000 -0.124 0.000 1.403 92 I HN 0.682 nan 8.210 nan 0.000 0.484 93 C N 7.937 127.343 119.300 0.176 0.000 2.355 93 C HA 0.686 5.146 4.460 0.000 0.000 0.332 93 C C -0.078 175.041 174.990 0.216 0.000 1.255 93 C CA -0.167 58.968 59.018 0.195 0.000 1.792 93 C CB 0.907 28.808 27.740 0.267 0.000 2.300 93 C HN 0.814 nan 8.230 nan 0.000 0.515 94 E N 2.692 122.965 120.200 0.122 0.000 2.392 94 E HA 0.334 4.684 4.350 0.000 0.000 0.269 94 E C -1.243 175.356 176.600 -0.003 0.000 0.924 94 E CA -0.546 55.899 56.400 0.076 0.000 0.784 94 E CB 1.663 31.416 29.700 0.088 0.000 1.292 94 E HN 0.723 nan 8.360 nan 0.000 0.447 95 Q N 1.323 121.095 119.800 -0.047 0.000 2.314 95 Q HA 0.240 4.580 4.340 0.000 0.000 0.257 95 Q C 0.888 176.871 176.000 -0.029 0.000 0.975 95 Q CA -0.223 55.546 55.803 -0.057 0.000 0.933 95 Q CB 1.027 29.710 28.738 -0.092 0.000 1.195 95 Q HN 0.369 nan 8.270 nan 0.000 0.426 96 I N 1.035 121.599 120.570 -0.010 0.000 2.585 96 I HA 0.053 4.223 4.170 0.000 0.000 0.254 96 I C 1.212 177.324 176.117 -0.008 0.000 1.129 96 I CA 0.680 61.979 61.300 -0.002 0.000 1.455 96 I CB -0.966 37.041 38.000 0.012 0.000 1.111 96 I HN 0.563 nan 8.210 nan 0.000 0.433 97 G N 0.820 109.615 108.800 -0.008 0.000 2.537 97 G HA2 0.161 4.121 3.960 0.000 0.000 0.273 97 G HA3 0.161 4.121 3.960 0.000 0.000 0.273 97 G C -0.841 174.048 174.900 -0.017 0.000 1.189 97 G CA -0.108 44.988 45.100 -0.007 0.000 0.881 97 G HN 0.120 nan 8.290 nan 0.000 0.535 98 D N 0.670 121.061 120.400 -0.015 0.000 2.295 98 D HA 0.287 4.927 4.640 0.000 0.000 0.248 98 D C -1.299 174.992 176.300 -0.015 0.000 1.154 98 D CA -2.143 51.845 54.000 -0.019 0.000 0.857 98 D CB 1.787 42.577 40.800 -0.017 0.000 1.117 98 D HN -0.066 nan 8.370 nan 0.000 0.468 99 P HA -0.112 nan 4.420 nan 0.000 0.215 99 P C 0.937 178.232 177.300 -0.009 0.000 1.153 99 P CA 1.439 64.531 63.100 -0.014 0.000 0.853 99 P CB 0.161 31.850 31.700 -0.020 0.000 0.788 100 A N -0.602 122.211 122.820 -0.012 0.000 2.019 100 A HA -0.122 4.198 4.320 0.000 0.000 0.219 100 A C 1.723 179.303 177.584 -0.006 0.000 1.164 100 A CA 2.087 54.118 52.037 -0.009 0.000 0.644 100 A CB -1.667 17.326 19.000 -0.012 0.000 0.805 100 A HN 0.354 nan 8.150 nan 0.000 0.449 101 T N -2.920 111.631 114.554 -0.005 0.000 3.258 101 T HA 0.488 4.838 4.350 0.000 0.000 0.259 101 T C -0.054 174.648 174.700 0.002 0.000 0.963 101 T CA -0.034 62.065 62.100 -0.002 0.000 0.919 101 T CB -0.088 68.778 68.868 -0.003 0.000 1.110 101 T HN 0.024 nan 8.240 nan 0.000 0.550 102 S N 0.967 116.669 115.700 0.004 0.000 2.707 102 S HA 0.427 4.897 4.470 0.000 0.000 0.303 102 S C 0.700 175.307 174.600 0.011 0.000 1.132 102 S CA -0.926 57.279 58.200 0.009 0.000 1.046 102 S CB 2.234 65.440 63.200 0.009 0.000 1.004 102 S HN 0.379 nan 8.310 nan 0.000 0.483 103 K N 3.599 124.008 120.400 0.014 0.000 1.965 103 K HA 0.057 4.378 4.320 0.000 0.000 0.214 103 K C 1.261 177.873 176.600 0.019 0.000 1.046 103 K CA 1.660 57.956 56.287 0.016 0.000 0.944 103 K CB -0.791 31.719 32.500 0.017 0.000 0.726 103 K HN 0.698 nan 8.250 nan 0.000 0.441 104 G N -0.030 108.786 108.800 0.027 0.000 2.494 104 G HA2 0.295 4.255 3.960 0.000 0.000 0.270 104 G HA3 0.295 4.255 3.960 0.000 0.000 0.270 104 G C -2.199 172.723 174.900 0.036 0.000 1.423 104 G CA -0.996 44.123 45.100 0.033 0.000 1.055 104 G HN 0.215 nan 8.290 nan 0.000 0.536 105 P HA 0.038 nan 4.420 nan 0.000 0.264 105 P C 0.144 177.476 177.300 0.053 0.000 1.173 105 P CA -0.171 62.967 63.100 0.064 0.000 0.761 105 P CB 0.466 32.225 31.700 0.098 0.000 0.794 106 V N 3.081 123.019 119.914 0.040 0.000 2.740 106 V HA -0.023 4.097 4.120 0.000 0.000 0.303 106 V C 0.757 176.871 176.094 0.034 0.000 1.054 106 V CA -0.225 62.088 62.300 0.023 0.000 1.106 106 V CB 0.378 32.200 31.823 -0.002 0.000 0.957 106 V HN 0.599 nan 8.190 nan 0.000 0.486 107 E N 6.138 126.356 120.200 0.030 0.000 2.529 107 E HA 0.059 4.409 4.350 0.000 0.000 0.259 107 E C -0.363 176.257 176.600 0.034 0.000 0.966 107 E CA 0.238 56.662 56.400 0.040 0.000 0.937 107 E CB 0.390 30.108 29.700 0.031 0.000 0.923 107 E HN 0.598 nan 8.360 nan 0.000 0.468 108 R N 4.184 124.719 120.500 0.059 0.000 2.502 108 R HA 0.331 4.671 4.340 0.000 0.000 0.300 108 R C -0.718 175.631 176.300 0.083 0.000 0.984 108 R CA -0.757 55.377 56.100 0.055 0.000 0.882 108 R CB 1.752 32.088 30.300 0.059 0.000 1.180 108 R HN 0.410 nan 8.270 nan 0.000 0.444 109 K N 1.528 121.970 120.400 0.069 0.000 2.156 109 K HA 0.386 4.706 4.320 0.000 0.000 0.250 109 K C -0.394 176.262 176.600 0.093 0.000 0.955 109 K CA -0.840 55.494 56.287 0.079 0.000 0.855 109 K CB 2.457 34.990 32.500 0.056 0.000 1.101 109 K HN 0.161 nan 8.250 nan 0.000 0.434 110 V N 3.403 123.383 119.914 0.110 0.000 2.470 110 V HA -0.021 4.099 4.120 0.000 0.000 0.276 110 V C 1.091 177.215 176.094 0.051 0.000 1.040 110 V CA 0.006 62.360 62.300 0.091 0.000 1.008 110 V CB 0.876 32.778 31.823 0.131 0.000 0.990 110 V HN 0.717 nan 8.190 nan 0.000 0.477 111 V N 2.552 122.484 119.914 0.030 0.000 3.644 111 V HA 0.445 4.565 4.120 0.000 0.000 0.267 111 V C 0.581 176.665 176.094 -0.017 0.000 1.277 111 V CA 0.292 62.602 62.300 0.016 0.000 1.096 111 V CB -0.494 31.348 31.823 0.031 0.000 0.828 111 V HN 0.861 nan 8.190 nan 0.000 0.446 112 R N -0.061 120.410 120.500 -0.050 0.000 2.728 112 R HA 0.630 4.970 4.340 0.000 0.000 0.259 112 R C -2.402 173.807 176.300 -0.153 0.000 1.057 112 R CA -0.710 55.337 56.100 -0.088 0.000 0.908 112 R CB 1.641 31.901 30.300 -0.067 0.000 1.259 112 R HN 0.241 nan 8.270 nan 0.000 0.472 113 I N 3.603 124.063 120.570 -0.183 0.000 2.468 113 I HA 0.307 4.477 4.170 0.000 0.000 0.285 113 I C -0.523 175.478 176.117 -0.193 0.000 1.039 113 I CA -1.206 59.953 61.300 -0.236 0.000 1.074 113 I CB 2.225 40.052 38.000 -0.289 0.000 1.228 113 I HN 0.237 nan 8.210 nan 0.000 0.436 114 V N 4.943 124.743 119.914 -0.190 0.000 2.408 114 V HA 0.398 4.518 4.120 0.000 0.000 0.267 114 V C 0.571 176.595 176.094 -0.117 0.000 1.047 114 V CA -0.112 62.101 62.300 -0.144 0.000 0.937 114 V CB 0.932 32.662 31.823 -0.155 0.000 0.999 114 V HN 0.899 nan 8.190 nan 0.000 0.472 115 T N 2.679 117.193 114.554 -0.068 0.000 2.916 115 T HA 0.512 4.862 4.350 0.000 0.000 0.292 115 T C -2.206 172.497 174.700 0.005 0.000 1.055 115 T CA -2.219 59.876 62.100 -0.010 0.000 1.009 115 T CB 2.419 71.332 68.868 0.075 0.000 1.118 115 T HN 0.293 nan 8.240 nan 0.000 0.497 116 P HA 0.062 nan 4.420 nan 0.000 0.218 116 P C 1.373 178.678 177.300 0.007 0.000 1.146 116 P CA 1.181 64.284 63.100 0.005 0.000 0.813 116 P CB -0.181 31.524 31.700 0.008 0.000 0.778 117 G N -1.967 106.848 108.800 0.025 0.000 3.020 117 G HA2 -0.015 3.945 3.960 0.000 0.000 0.217 117 G HA3 -0.015 3.945 3.960 0.000 0.000 0.217 117 G C 0.873 175.780 174.900 0.012 0.000 1.144 117 G CA 0.556 45.666 45.100 0.015 0.000 0.760 117 G HN 0.359 nan 8.290 nan 0.000 0.548 118 T N -0.752 113.812 114.554 0.016 0.000 3.182 118 T HA 0.405 4.755 4.350 0.000 0.000 0.277 118 T C 0.702 175.387 174.700 -0.024 0.000 1.013 118 T CA -0.594 61.502 62.100 -0.008 0.000 0.900 118 T CB -0.449 68.409 68.868 -0.017 0.000 1.098 118 T HN 0.271 nan 8.240 nan 0.000 0.543 119 I N 0.155 120.712 120.570 -0.021 0.000 2.474 119 I HA 0.646 4.816 4.170 0.000 0.000 0.287 119 I C 0.858 176.963 176.117 -0.020 0.000 1.048 119 I CA -0.413 60.871 61.300 -0.027 0.000 1.383 119 I CB 1.322 39.306 38.000 -0.026 0.000 1.412 119 I HN 0.128 nan 8.210 nan 0.000 0.531 120 S N 1.403 117.089 115.700 -0.022 0.000 2.787 120 S HA 0.270 4.740 4.470 0.000 0.000 0.255 120 S C -0.015 174.573 174.600 -0.020 0.000 1.051 120 S CA -0.583 57.607 58.200 -0.017 0.000 1.124 120 S CB -0.212 62.978 63.200 -0.016 0.000 1.104 120 S HN 0.716 nan 8.310 nan 0.000 0.623 121 D N 2.467 122.855 120.400 -0.021 0.000 2.302 121 D HA 0.168 4.808 4.640 0.000 0.000 0.248 121 D C 0.897 177.187 176.300 -0.016 0.000 1.094 121 D CA -0.091 53.899 54.000 -0.017 0.000 0.897 121 D CB 1.383 42.175 40.800 -0.015 0.000 1.200 121 D HN 0.385 nan 8.370 nan 0.000 0.429 122 E N 1.801 121.993 120.200 -0.014 0.000 2.160 122 E HA -0.213 4.137 4.350 0.000 0.000 0.195 122 E C 1.543 178.133 176.600 -0.017 0.000 0.991 122 E CA 0.868 57.259 56.400 -0.015 0.000 0.810 122 E CB 0.172 29.863 29.700 -0.015 0.000 0.742 122 E HN 0.523 nan 8.360 nan 0.000 0.466 123 A N 0.322 123.132 122.820 -0.017 0.000 2.067 123 A HA -0.056 4.264 4.320 0.000 0.000 0.219 123 A C 1.896 179.467 177.584 -0.021 0.000 1.158 123 A CA 0.771 52.796 52.037 -0.020 0.000 0.661 123 A CB -0.138 18.849 19.000 -0.021 0.000 0.801 123 A HN 0.292 nan 8.150 nan 0.000 0.452 124 L N -1.294 119.917 121.223 -0.020 0.000 2.638 124 L HA 0.317 4.657 4.340 0.000 0.000 0.232 124 L C 0.247 177.107 176.870 -0.017 0.000 1.099 124 L CA -0.229 54.599 54.840 -0.020 0.000 0.883 124 L CB -0.062 41.984 42.059 -0.022 0.000 1.136 124 L HN 0.178 nan 8.230 nan 0.000 0.492 125 L N -0.210 121.003 121.223 -0.016 0.000 2.400 125 L HA 0.362 4.702 4.340 0.000 0.000 0.264 125 L C -0.018 176.845 176.870 -0.013 0.000 1.061 125 L CA -0.535 54.297 54.840 -0.014 0.000 0.799 125 L CB 1.064 43.115 42.059 -0.013 0.000 1.240 125 L HN 0.047 nan 8.230 nan 0.000 0.461 126 Q N 0.568 120.362 119.800 -0.011 0.000 2.271 126 Q HA 0.204 4.544 4.340 0.000 0.000 0.258 126 Q C 0.101 176.095 176.000 -0.010 0.000 0.936 126 Q CA -0.472 55.325 55.803 -0.010 0.000 0.909 126 Q CB 2.282 31.016 28.738 -0.007 0.000 1.253 126 Q HN 0.555 nan 8.270 nan 0.000 0.440 127 E N 1.707 121.900 120.200 -0.012 0.000 2.049 127 E HA -0.221 4.129 4.350 0.000 0.000 0.198 127 E C 0.866 177.459 176.600 -0.012 0.000 1.007 127 E CA 1.381 57.773 56.400 -0.013 0.000 0.809 127 E CB 0.169 29.861 29.700 -0.014 0.000 0.749 127 E HN 0.387 nan 8.360 nan 0.000 0.450 128 R N 0.166 120.660 120.500 -0.010 0.000 2.388 128 R HA 0.155 4.495 4.340 0.000 0.000 0.247 128 R C 0.002 176.300 176.300 -0.003 0.000 0.931 128 R CA 0.010 56.105 56.100 -0.009 0.000 1.082 128 R CB 0.446 30.741 30.300 -0.009 0.000 1.135 128 R HN 0.069 nan 8.270 nan 0.000 0.525 129 Q N 0.462 120.261 119.800 -0.002 0.000 2.337 129 Q HA 0.180 4.520 4.340 0.000 0.000 0.270 129 Q C -1.208 174.792 176.000 -0.000 0.000 1.043 129 Q CA -0.577 55.228 55.803 0.002 0.000 0.794 129 Q CB 2.095 30.834 28.738 0.003 0.000 1.281 129 Q HN -0.004 nan 8.270 nan 0.000 0.446 130 D N 1.332 121.734 120.400 0.002 0.000 2.400 130 D HA 0.034 4.674 4.640 0.000 0.000 0.238 130 D C -0.526 175.772 176.300 -0.004 0.000 1.157 130 D CA 0.471 54.471 54.000 0.000 0.000 0.889 130 D CB 0.725 41.528 40.800 0.005 0.000 1.199 130 D HN 0.402 nan 8.370 nan 0.000 0.436 131 N N 1.463 120.159 118.700 -0.007 0.000 2.576 131 N HA 0.280 5.020 4.740 0.000 0.000 0.269 131 N C -1.357 174.144 175.510 -0.015 0.000 1.058 131 N CA -0.359 52.686 53.050 -0.009 0.000 0.860 131 N CB 0.608 39.089 38.487 -0.010 0.000 1.249 131 N HN 0.193 nan 8.380 nan 0.000 0.525 132 L N 2.268 123.482 121.223 -0.015 0.000 2.331 132 L HA 0.562 4.902 4.340 0.000 0.000 0.275 132 L C -0.550 176.299 176.870 -0.034 0.000 1.022 132 L CA -1.265 53.559 54.840 -0.026 0.000 0.812 132 L CB 1.534 43.583 42.059 -0.017 0.000 1.257 132 L HN 0.389 nan 8.230 nan 0.000 0.435 133 L N 2.676 123.865 121.223 -0.056 0.000 2.289 133 L HA 0.727 5.067 4.340 0.000 0.000 0.285 133 L C -0.173 176.632 176.870 -0.108 0.000 1.049 133 L CA 0.170 54.968 54.840 -0.070 0.000 0.804 133 L CB 1.265 43.286 42.059 -0.063 0.000 1.195 133 L HN 0.693 nan 8.230 nan 0.000 0.428 134 A N 4.113 126.863 122.820 -0.116 0.000 2.384 134 A HA 0.978 5.298 4.320 0.000 0.000 0.312 134 A C -1.117 176.382 177.584 -0.142 0.000 1.113 134 A CA -0.188 51.730 52.037 -0.198 0.000 0.779 134 A CB 1.527 20.409 19.000 -0.197 0.000 1.307 134 A HN 1.054 nan 8.150 nan 0.000 0.436 135 A N 0.735 123.467 122.820 -0.146 0.000 2.386 135 A HA 0.774 5.094 4.320 0.000 0.000 0.311 135 A C -0.875 176.831 177.584 0.204 0.000 1.068 135 A CA -0.391 51.661 52.037 0.024 0.000 0.743 135 A CB 0.853 19.838 19.000 -0.024 0.000 1.258 135 A HN 1.284 nan 8.150 nan 0.000 0.429 136 I N 2.686 123.471 120.570 0.357 0.000 2.647 136 I HA 0.788 4.958 4.170 0.000 0.000 0.295 136 I C -1.585 174.845 176.117 0.521 0.000 1.078 136 I CA -0.638 60.938 61.300 0.459 0.000 1.048 136 I CB 1.619 39.778 38.000 0.266 0.000 1.239 136 I HN 0.897 nan 8.210 nan 0.000 0.421 137 W N 7.742 129.255 121.300 0.354 0.000 3.118 137 W HA 0.512 5.172 4.660 0.000 0.000 0.328 137 W C -2.475 174.289 176.519 0.407 0.000 1.239 137 W CA -0.854 56.640 57.345 0.248 0.000 1.176 137 W CB 1.347 30.759 29.460 -0.079 0.000 1.433 137 W HN 0.670 nan 8.180 nan 0.000 0.562 138 Q N 2.982 122.640 119.800 -0.236 0.000 2.321 138 Q HA 0.307 4.648 4.340 0.000 0.000 0.270 138 Q C -1.094 174.289 176.000 -1.029 0.000 1.032 138 Q CA -0.408 55.026 55.803 -0.615 0.000 0.784 138 Q CB 2.163 30.572 28.738 -0.548 0.000 1.264 138 Q HN 0.375 nan 8.270 nan 0.000 0.448 139 D N 0.902 120.719 120.400 -0.971 0.000 2.432 139 D HA 0.112 4.752 4.640 0.000 0.000 0.258 139 D C 0.898 176.882 176.300 -0.527 0.000 1.146 139 D CA 0.022 53.596 54.000 -0.710 0.000 1.015 139 D CB 1.496 42.007 40.800 -0.482 0.000 1.107 139 D HN 0.695 nan 8.370 nan 0.000 0.529 140 S N -0.114 115.369 115.700 -0.360 0.000 2.465 140 S HA -0.185 4.285 4.470 0.000 0.000 0.241 140 S C 1.168 175.607 174.600 -0.268 0.000 1.000 140 S CA 1.222 59.257 58.200 -0.276 0.000 0.964 140 S CB 0.053 63.143 63.200 -0.182 0.000 0.763 140 S HN 0.301 nan 8.310 nan 0.000 0.512 141 K N 0.489 120.718 120.400 -0.286 0.000 2.344 141 K HA 0.473 4.793 4.320 0.000 0.000 0.200 141 K C 1.106 177.549 176.600 -0.262 0.000 1.132 141 K CA 0.709 56.866 56.287 -0.218 0.000 0.935 141 K CB 0.421 32.836 32.500 -0.142 0.000 1.089 141 K HN 0.374 nan 8.250 nan 0.000 0.496 142 G N -0.882 107.695 108.800 -0.372 0.000 2.650 142 G HA2 0.516 4.476 3.960 0.000 0.000 0.310 142 G HA3 0.516 4.476 3.960 0.000 0.000 0.310 142 G C -1.624 172.904 174.900 -0.620 0.000 1.270 142 G CA -0.827 44.033 45.100 -0.400 0.000 0.810 142 G HN -0.044 nan 8.290 nan 0.000 0.493 143 F N -0.080 119.857 119.950 -0.023 0.000 2.546 143 F HA 0.702 5.229 4.527 0.000 0.000 0.320 143 F C 0.757 176.664 175.800 0.177 0.000 1.076 143 F CA -0.462 57.565 58.000 0.045 0.000 0.928 143 F CB 2.618 41.670 39.000 0.086 0.000 1.189 143 F HN 0.646 nan 8.300 nan 0.000 0.465 144 G N 0.813 109.938 108.800 0.542 0.000 2.416 144 G HA2 0.528 4.488 3.960 0.000 0.000 0.329 144 G HA3 0.528 4.488 3.960 0.000 0.000 0.329 144 G C -2.507 172.755 174.900 0.604 0.000 1.173 144 G CA -0.513 44.935 45.100 0.581 0.000 0.929 144 G HN 0.521 nan 8.290 nan 0.000 0.475 145 Y N 0.817 121.283 120.300 0.276 0.000 2.433 145 Y HA 0.660 5.210 4.550 0.000 0.000 0.337 145 Y C -0.505 175.484 175.900 0.149 0.000 1.026 145 Y CA -1.053 57.168 58.100 0.202 0.000 1.037 145 Y CB 2.114 40.659 38.460 0.141 0.000 1.245 145 Y HN 0.888 nan 8.280 nan 0.000 0.443 146 A N 3.067 125.687 122.820 -0.332 0.000 2.475 146 A HA 0.835 5.155 4.320 0.000 0.000 0.301 146 A C -0.879 176.462 177.584 -0.405 0.000 1.059 146 A CA -0.279 51.618 52.037 -0.232 0.000 0.710 146 A CB 1.300 20.310 19.000 0.016 0.000 1.288 146 A HN 0.847 nan 8.150 nan 0.000 0.408 147 T N -0.967 113.477 114.554 -0.183 0.000 2.916 147 T HA 0.749 5.099 4.350 0.000 0.000 0.292 147 T C -0.956 173.756 174.700 0.019 0.000 1.055 147 T CA -0.648 61.370 62.100 -0.137 0.000 1.009 147 T CB 1.454 70.257 68.868 -0.107 0.000 1.118 147 T HN 1.581 nan 8.240 nan 0.000 0.497 148 L N 1.386 122.563 121.223 -0.075 0.000 2.516 148 L HA 0.564 4.904 4.340 0.000 0.000 0.267 148 L C -1.688 175.111 176.870 -0.119 0.000 0.957 148 L CA -0.413 54.339 54.840 -0.147 0.000 0.860 148 L CB 2.184 44.002 42.059 -0.401 0.000 1.265 148 L HN 0.801 nan 8.230 nan 0.000 0.403 149 D N 4.587 124.931 120.400 -0.092 0.000 2.441 149 D HA 0.141 4.781 4.640 0.000 0.000 0.221 149 D C 1.071 177.306 176.300 -0.109 0.000 1.156 149 D CA 0.160 54.117 54.000 -0.071 0.000 0.896 149 D CB 0.805 41.585 40.800 -0.034 0.000 1.028 149 D HN 0.706 nan 8.370 nan 0.000 0.509 150 I N 2.695 123.208 120.570 -0.095 0.000 2.614 150 I HA -0.183 3.987 4.170 0.000 0.000 0.258 150 I C 1.498 177.643 176.117 0.047 0.000 1.189 150 I CA 0.841 62.094 61.300 -0.079 0.000 1.462 150 I CB 0.217 38.193 38.000 -0.040 0.000 1.092 150 I HN 0.321 nan 8.210 nan 0.000 0.442 151 S N -1.349 114.367 115.700 0.026 0.000 2.679 151 S HA 0.098 4.568 4.470 0.000 0.000 0.233 151 S C 1.087 175.721 174.600 0.057 0.000 0.951 151 S CA 0.303 58.539 58.200 0.060 0.000 0.973 151 S CB -0.122 63.090 63.200 0.020 0.000 0.778 151 S HN 0.543 nan 8.310 nan 0.000 0.477 152 S N -1.656 114.058 115.700 0.023 0.000 2.483 152 S HA 0.435 4.905 4.470 0.000 0.000 0.280 152 S C 1.448 176.012 174.600 -0.060 0.000 1.059 152 S CA 0.646 58.856 58.200 0.016 0.000 1.359 152 S CB -0.346 62.859 63.200 0.007 0.000 1.171 152 S HN 1.540 nan 8.310 nan 0.000 0.625 153 G N 2.156 110.815 108.800 -0.236 0.000 2.225 153 G HA2 -0.316 3.644 3.960 0.000 0.000 0.254 153 G HA3 -0.316 3.644 3.960 0.000 0.000 0.254 153 G C 0.091 174.923 174.900 -0.113 0.000 0.988 153 G CA 0.216 45.126 45.100 -0.316 0.000 0.625 153 G HN 0.752 nan 8.290 nan 0.000 0.527 154 R N 0.322 120.795 120.500 -0.045 0.000 2.483 154 R HA 0.349 4.689 4.340 0.000 0.000 0.329 154 R C -0.954 175.399 176.300 0.089 0.000 0.961 154 R CA -0.139 55.977 56.100 0.027 0.000 1.041 154 R CB -0.324 29.995 30.300 0.031 0.000 0.930 154 R HN 0.093 nan 8.270 nan 0.000 0.413 155 F N 5.587 125.490 119.950 -0.079 0.000 2.499 155 F HA 0.476 5.003 4.527 0.000 0.000 0.333 155 F C -0.911 174.849 175.800 -0.067 0.000 1.138 155 F CA -1.213 56.741 58.000 -0.076 0.000 0.945 155 F CB 0.962 39.922 39.000 -0.066 0.000 1.181 155 F HN 0.437 nan 8.300 nan 0.000 0.435 156 R N 5.358 125.973 120.500 0.192 0.000 2.803 156 R HA 0.659 5.000 4.340 0.000 0.000 0.276 156 R C -1.663 174.604 176.300 -0.056 0.000 0.978 156 R CA -1.070 55.033 56.100 0.005 0.000 0.939 156 R CB 2.832 33.160 30.300 0.046 0.000 1.179 156 R HN 0.822 nan 8.270 nan 0.000 0.472 157 L N 0.522 121.704 121.223 -0.069 0.000 2.401 157 L HA 0.627 4.967 4.340 0.000 0.000 0.266 157 L C -0.828 176.069 176.870 0.045 0.000 0.991 157 L CA -0.180 54.637 54.840 -0.039 0.000 0.818 157 L CB 1.990 43.984 42.059 -0.108 0.000 1.321 157 L HN 0.919 nan 8.230 nan 0.000 0.413 158 S N 2.179 117.950 115.700 0.118 0.000 2.656 158 S HA 0.591 5.061 4.470 0.000 0.000 0.273 158 S C -1.309 173.407 174.600 0.192 0.000 1.168 158 S CA -0.841 57.446 58.200 0.146 0.000 0.817 158 S CB 2.025 65.325 63.200 0.168 0.000 1.146 158 S HN 0.697 nan 8.310 nan 0.000 0.475 159 E N 1.167 121.465 120.200 0.164 0.000 3.117 159 E HA 0.321 4.671 4.350 0.000 0.000 0.262 159 E C -2.914 173.782 176.600 0.161 0.000 1.202 159 E CA -1.497 55.013 56.400 0.184 0.000 0.853 159 E CB 1.395 31.182 29.700 0.145 0.000 1.426 159 E HN 0.417 nan 8.360 nan 0.000 0.387 160 P HA 0.049 nan 4.420 nan 0.000 0.271 160 P C 0.367 177.799 177.300 0.221 0.000 1.226 160 P CA 0.088 63.274 63.100 0.143 0.000 0.765 160 P CB 1.228 32.963 31.700 0.058 0.000 0.835 161 A N 3.181 126.089 122.820 0.147 0.000 2.016 161 A HA 0.017 4.337 4.320 0.000 0.000 0.217 161 A C 0.559 178.238 177.584 0.159 0.000 1.162 161 A CA 1.258 53.368 52.037 0.123 0.000 0.662 161 A CB -0.614 18.427 19.000 0.069 0.000 0.812 161 A HN 0.664 nan 8.150 nan 0.000 0.450 162 D N -4.140 116.388 120.400 0.213 0.000 2.626 162 D HA 0.277 4.918 4.640 0.000 0.000 0.278 162 D C 0.660 177.111 176.300 0.251 0.000 1.211 162 D CA -0.781 53.360 54.000 0.236 0.000 0.903 162 D CB 0.390 41.259 40.800 0.115 0.000 1.408 162 D HN -0.118 nan 8.370 nan 0.000 0.454 163 R N -0.288 120.350 120.500 0.229 0.000 2.113 163 R HA -0.188 4.152 4.340 0.000 0.000 0.244 163 R C 1.130 177.387 176.300 -0.070 0.000 1.142 163 R CA 1.673 57.808 56.100 0.059 0.000 0.953 163 R CB -0.089 30.250 30.300 0.066 0.000 0.860 163 R HN 0.552 nan 8.270 nan 0.000 0.438 164 E N -0.745 119.451 120.200 -0.007 0.000 2.208 164 E HA -0.076 4.274 4.350 0.000 0.000 0.193 164 E C 1.878 178.448 176.600 -0.051 0.000 0.988 164 E CA 1.241 57.629 56.400 -0.019 0.000 0.828 164 E CB -0.016 29.708 29.700 0.040 0.000 0.763 164 E HN 0.404 nan 8.360 nan 0.000 0.478 165 T N 1.317 115.845 114.554 -0.044 0.000 2.812 165 T HA -0.113 4.237 4.350 0.000 0.000 0.264 165 T C 1.852 176.460 174.700 -0.153 0.000 1.042 165 T CA 1.011 63.069 62.100 -0.069 0.000 1.140 165 T CB -0.126 68.731 68.868 -0.018 0.000 0.870 165 T HN 0.009 nan 8.240 nan 0.000 0.445 166 M N 2.004 121.457 119.600 -0.246 0.000 2.106 166 M HA -0.032 4.448 4.480 0.000 0.000 0.259 166 M C 2.294 178.371 176.300 -0.371 0.000 1.068 166 M CA 1.560 56.593 55.300 -0.444 0.000 1.100 166 M CB -0.831 31.219 32.600 -0.917 0.000 1.351 166 M HN 0.236 nan 8.290 nan 0.000 0.404 167 A N -0.456 122.204 122.820 -0.266 0.000 1.865 167 A HA -0.023 4.297 4.320 0.000 0.000 0.217 167 A C 2.377 179.864 177.584 -0.162 0.000 1.191 167 A CA 2.339 54.263 52.037 -0.188 0.000 0.623 167 A CB -1.550 17.377 19.000 -0.123 0.000 0.826 167 A HN 0.643 nan 8.150 nan 0.000 0.444 168 A N -0.868 121.870 122.820 -0.137 0.000 1.978 168 A HA -0.171 4.149 4.320 0.000 0.000 0.220 168 A C 1.990 179.500 177.584 -0.123 0.000 1.170 168 A CA 1.783 53.756 52.037 -0.107 0.000 0.636 168 A CB -0.398 18.547 19.000 -0.093 0.000 0.810 168 A HN 0.498 nan 8.150 nan 0.000 0.448 169 E N -0.144 119.945 120.200 -0.184 0.000 2.072 169 E HA -0.079 4.271 4.350 0.000 0.000 0.190 169 E C 2.053 178.513 176.600 -0.232 0.000 0.982 169 E CA 0.850 57.123 56.400 -0.211 0.000 0.803 169 E CB -0.303 29.199 29.700 -0.329 0.000 0.755 169 E HN 0.691 nan 8.360 nan 0.000 0.453 170 L N 0.599 121.643 121.223 -0.299 0.000 2.093 170 L HA -0.204 4.136 4.340 0.000 0.000 0.208 170 L C 2.740 179.550 176.870 -0.100 0.000 1.085 170 L CA 1.107 55.833 54.840 -0.189 0.000 0.755 170 L CB -0.345 41.596 42.059 -0.196 0.000 0.904 170 L HN 0.111 nan 8.230 nan 0.000 0.435 171 Q N 0.483 120.218 119.800 -0.107 0.000 2.084 171 Q HA -0.249 4.091 4.340 0.000 0.000 0.202 171 Q C 2.321 178.251 176.000 -0.116 0.000 0.978 171 Q CA 1.754 57.507 55.803 -0.082 0.000 0.844 171 Q CB -0.056 28.645 28.738 -0.062 0.000 0.898 171 Q HN 0.308 nan 8.270 nan 0.000 0.426 172 R N -0.756 119.667 120.500 -0.129 0.000 2.062 172 R HA -0.084 4.256 4.340 0.000 0.000 0.229 172 R C 2.055 178.227 176.300 -0.213 0.000 1.128 172 R CA 1.902 57.871 56.100 -0.219 0.000 0.960 172 R CB -0.310 29.936 30.300 -0.090 0.000 0.855 172 R HN 0.485 nan 8.270 nan 0.000 0.432 173 T N -1.833 112.683 114.554 -0.064 0.000 3.035 173 T HA -0.031 4.319 4.350 0.000 0.000 0.259 173 T C 0.751 175.447 174.700 -0.006 0.000 1.078 173 T CA 0.449 62.554 62.100 0.008 0.000 1.132 173 T CB -0.318 68.647 68.868 0.160 0.000 0.900 173 T HN 0.406 nan 8.240 nan 0.000 0.480 174 N N 2.465 121.153 118.700 -0.020 0.000 2.686 174 N HA -0.095 4.645 4.740 0.000 0.000 0.261 174 N C -2.583 172.929 175.510 0.004 0.000 1.001 174 N CA 0.339 53.377 53.050 -0.021 0.000 0.764 174 N CB -0.870 37.589 38.487 -0.047 0.000 0.898 174 N HN 0.386 nan 8.380 nan 0.000 0.544 175 P HA 0.113 nan 4.420 nan 0.000 0.268 175 P C 0.401 177.705 177.300 0.006 0.000 1.205 175 P CA 0.227 63.342 63.100 0.026 0.000 0.771 175 P CB 0.821 32.556 31.700 0.059 0.000 0.858 176 A N 2.549 125.367 122.820 -0.002 0.000 2.072 176 A HA -0.019 4.301 4.320 0.000 0.000 0.216 176 A C 0.910 178.492 177.584 -0.004 0.000 1.156 176 A CA 0.974 53.009 52.037 -0.003 0.000 0.701 176 A CB -0.333 18.665 19.000 -0.004 0.000 0.816 176 A HN 0.680 nan 8.150 nan 0.000 0.458 177 E N -0.674 119.519 120.200 -0.011 0.000 2.290 177 E HA 0.549 4.899 4.350 0.000 0.000 0.274 177 E C -1.963 174.610 176.600 -0.044 0.000 0.889 177 E CA -0.508 55.878 56.400 -0.024 0.000 0.760 177 E CB 1.425 31.114 29.700 -0.017 0.000 1.206 177 E HN 0.185 nan 8.360 nan 0.000 0.419 178 L N 6.638 127.839 121.223 -0.038 0.000 2.342 178 L HA 0.450 4.790 4.340 0.000 0.000 0.276 178 L C -1.229 175.631 176.870 -0.016 0.000 0.997 178 L CA -0.757 54.072 54.840 -0.017 0.000 0.838 178 L CB 0.850 42.915 42.059 0.011 0.000 1.224 178 L HN 0.595 nan 8.230 nan 0.000 0.416 179 L N 5.751 126.926 121.223 -0.079 0.000 2.331 179 L HA 0.355 4.695 4.340 0.000 0.000 0.278 179 L C -0.683 176.270 176.870 0.137 0.000 1.106 179 L CA -0.470 54.318 54.840 -0.088 0.000 0.824 179 L CB 0.542 42.448 42.059 -0.254 0.000 1.142 179 L HN 0.488 nan 8.230 nan 0.000 0.443 180 Y N 1.779 122.074 120.300 -0.008 0.000 2.553 180 Y HA 0.818 5.368 4.550 0.000 0.000 0.347 180 Y C -0.339 175.527 175.900 -0.057 0.000 1.019 180 Y CA -1.466 56.595 58.100 -0.066 0.000 1.032 180 Y CB 1.196 39.455 38.460 -0.335 0.000 1.284 180 Y HN 0.594 nan 8.280 nan 0.000 0.466 181 A N 2.468 125.149 122.820 -0.231 0.000 2.407 181 A HA 0.228 4.549 4.320 0.000 0.000 0.248 181 A C 1.087 178.596 177.584 -0.125 0.000 1.082 181 A CA 0.016 51.814 52.037 -0.398 0.000 0.785 181 A CB 0.021 18.697 19.000 -0.539 0.000 1.020 181 A HN 1.025 nan 8.150 nan 0.000 0.489 182 E N 1.211 121.329 120.200 -0.136 0.000 2.204 182 E HA -0.216 4.134 4.350 0.000 0.000 0.195 182 E C 0.404 177.057 176.600 0.088 0.000 0.990 182 E CA 1.313 57.682 56.400 -0.051 0.000 0.821 182 E CB -0.138 29.534 29.700 -0.046 0.000 0.750 182 E HN 0.724 nan 8.360 nan 0.000 0.477 183 D N 0.503 120.957 120.400 0.091 0.000 2.325 183 D HA -0.078 4.562 4.640 0.000 0.000 0.225 183 D C -0.211 176.160 176.300 0.118 0.000 1.096 183 D CA -0.613 53.440 54.000 0.088 0.000 0.844 183 D CB -0.631 40.194 40.800 0.042 0.000 0.925 183 D HN 0.093 nan 8.370 nan 0.000 0.513 184 F N 1.592 121.582 119.950 0.066 0.000 2.590 184 F HA 0.257 4.784 4.527 0.000 0.000 0.389 184 F C 1.435 177.257 175.800 0.036 0.000 1.049 184 F CA -0.187 57.855 58.000 0.071 0.000 1.199 184 F CB 1.022 40.146 39.000 0.206 0.000 1.058 184 F HN 0.051 nan 8.300 nan 0.000 0.556 185 A N 4.300 126.874 122.820 -0.411 0.000 1.911 185 A HA 0.022 4.342 4.320 0.000 0.000 0.212 185 A C 1.155 178.569 177.584 -0.283 0.000 1.189 185 A CA 0.541 52.410 52.037 -0.280 0.000 0.639 185 A CB -0.213 18.623 19.000 -0.273 0.000 0.839 185 A HN 0.593 nan 8.150 nan 0.000 0.449 186 E N 1.017 120.900 120.200 -0.528 0.000 2.028 186 E HA 0.158 4.508 4.350 0.000 0.000 0.275 186 E C 0.285 176.872 176.600 -0.022 0.000 1.171 186 E CA -0.193 56.062 56.400 -0.241 0.000 1.186 186 E CB 0.329 29.943 29.700 -0.142 0.000 1.256 186 E HN 0.395 nan 8.360 nan 0.000 0.474 187 M N -0.003 119.630 119.600 0.055 0.000 2.630 187 M HA -0.080 4.400 4.480 0.000 0.000 0.254 187 M C 1.697 178.031 176.300 0.056 0.000 1.092 187 M CA 0.615 55.992 55.300 0.128 0.000 1.087 187 M CB -0.723 31.922 32.600 0.075 0.000 1.453 187 M HN 0.108 nan 8.290 nan 0.000 0.509 188 S N -0.148 115.574 115.700 0.036 0.000 2.436 188 S HA 0.008 4.478 4.470 0.000 0.000 0.228 188 S C 1.808 176.409 174.600 0.003 0.000 1.014 188 S CA 0.476 58.683 58.200 0.012 0.000 0.950 188 S CB -0.622 62.580 63.200 0.004 0.000 0.784 188 S HN 0.491 nan 8.310 nan 0.000 0.504 189 L N -0.264 120.973 121.223 0.024 0.000 2.456 189 L HA 0.226 4.566 4.340 0.000 0.000 0.224 189 L C 1.851 178.695 176.870 -0.043 0.000 1.148 189 L CA 0.885 55.718 54.840 -0.013 0.000 0.825 189 L CB -0.239 41.818 42.059 -0.003 0.000 0.937 189 L HN 0.339 nan 8.230 nan 0.000 0.450 190 I N -3.232 117.309 120.570 -0.048 0.000 4.676 190 I HA 0.052 4.222 4.170 0.000 0.000 0.306 190 I C 0.690 176.724 176.117 -0.139 0.000 1.178 190 I CA -0.071 61.147 61.300 -0.136 0.000 1.335 190 I CB 0.785 38.623 38.000 -0.271 0.000 1.541 190 I HN -0.110 nan 8.210 nan 0.000 0.469 191 E N 1.596 121.733 120.200 -0.106 0.000 2.437 191 E HA 0.139 4.489 4.350 0.000 0.000 0.263 191 E C 0.860 177.434 176.600 -0.043 0.000 1.030 191 E CA 1.158 57.516 56.400 -0.070 0.000 0.934 191 E CB 0.239 29.919 29.700 -0.033 0.000 0.943 191 E HN 0.464 nan 8.360 nan 0.000 0.444 192 G N 3.082 111.866 108.800 -0.028 0.000 2.198 192 G HA2 -0.310 3.650 3.960 0.000 0.000 0.260 192 G HA3 -0.310 3.650 3.960 0.000 0.000 0.260 192 G C 0.308 175.194 174.900 -0.023 0.000 1.025 192 G CA 0.511 45.601 45.100 -0.017 0.000 0.769 192 G HN 0.373 nan 8.290 nan 0.000 0.507 193 R N -0.311 120.168 120.500 -0.035 0.000 2.758 193 R HA 0.598 4.938 4.340 0.000 0.000 0.265 193 R C 0.958 177.248 176.300 -0.017 0.000 1.016 193 R CA -0.833 55.248 56.100 -0.032 0.000 1.040 193 R CB 1.059 31.328 30.300 -0.051 0.000 1.152 193 R HN 0.507 nan 8.270 nan 0.000 0.503 194 R N -0.632 119.862 120.500 -0.010 0.000 2.532 194 R HA 0.367 4.707 4.340 0.000 0.000 0.272 194 R C 0.321 176.622 176.300 0.002 0.000 1.032 194 R CA 0.190 56.290 56.100 -0.000 0.000 1.089 194 R CB 0.691 30.991 30.300 0.001 0.000 1.098 194 R HN 0.733 nan 8.270 nan 0.000 0.526 195 G N 0.830 109.636 108.800 0.010 0.000 2.225 195 G HA2 -0.272 3.688 3.960 0.000 0.000 0.267 195 G HA3 -0.272 3.688 3.960 0.000 0.000 0.267 195 G C -0.254 174.654 174.900 0.013 0.000 1.024 195 G CA 0.350 45.457 45.100 0.011 0.000 0.784 195 G HN 0.489 nan 8.290 nan 0.000 0.507 196 L N 0.495 121.736 121.223 0.030 0.000 2.410 196 L HA 0.552 4.892 4.340 0.000 0.000 0.273 196 L C 0.610 177.542 176.870 0.104 0.000 1.152 196 L CA 0.072 54.955 54.840 0.072 0.000 0.855 196 L CB 0.464 42.561 42.059 0.062 0.000 1.129 196 L HN 0.227 nan 8.230 nan 0.000 0.463 197 R N 5.241 125.814 120.500 0.122 0.000 2.680 197 R HA 0.234 4.574 4.340 0.000 0.000 0.278 197 R C -0.583 175.633 176.300 -0.141 0.000 1.582 197 R CA -0.658 55.441 56.100 -0.002 0.000 1.177 197 R CB 0.914 31.143 30.300 -0.119 0.000 1.232 197 R HN 0.644 nan 8.270 nan 0.000 0.528 198 R N 2.312 122.658 120.500 -0.256 0.000 2.538 198 R HA 0.058 4.398 4.340 0.000 0.000 0.282 198 R C -0.329 175.752 176.300 -0.365 0.000 1.009 198 R CA 0.397 56.095 56.100 -0.670 0.000 1.063 198 R CB 0.520 30.566 30.300 -0.423 0.000 0.945 198 R HN 0.255 nan 8.270 nan 0.000 0.414 199 R N 4.419 124.700 120.500 -0.364 0.000 2.803 199 R HA 0.448 4.788 4.340 0.000 0.000 0.276 199 R C -2.510 173.680 176.300 -0.184 0.000 0.978 199 R CA -2.802 53.182 56.100 -0.193 0.000 0.939 199 R CB 1.095 31.360 30.300 -0.059 0.000 1.179 199 R HN 0.515 nan 8.270 nan 0.000 0.472 200 P HA 0.150 nan 4.420 nan 0.000 0.272 200 P C 0.894 178.052 177.300 -0.238 0.000 1.230 200 P CA -0.381 62.547 63.100 -0.286 0.000 0.788 200 P CB 0.762 32.163 31.700 -0.497 0.000 0.949 201 L N 1.637 122.821 121.223 -0.066 0.000 2.131 201 L HA -0.109 4.231 4.340 0.000 0.000 0.210 201 L C 1.971 178.923 176.870 0.136 0.000 1.092 201 L CA 1.232 56.118 54.840 0.075 0.000 0.759 201 L CB -0.502 41.638 42.059 0.135 0.000 0.903 201 L HN 0.602 nan 8.230 nan 0.000 0.435 202 W N -0.277 121.096 121.300 0.121 0.000 2.525 202 W HA -0.122 4.538 4.660 0.000 0.000 0.259 202 W C 1.332 177.877 176.519 0.043 0.000 1.253 202 W CA 0.273 57.660 57.345 0.070 0.000 1.262 202 W CB -0.808 28.675 29.460 0.038 0.000 1.122 202 W HN 0.239 nan 8.180 nan 0.000 0.607 203 E N 0.290 120.292 120.200 -0.330 0.000 2.418 203 E HA -0.101 4.249 4.350 0.000 0.000 0.197 203 E C 0.661 177.048 176.600 -0.355 0.000 1.026 203 E CA 0.841 57.007 56.400 -0.390 0.000 0.862 203 E CB -0.346 28.945 29.700 -0.681 0.000 0.799 203 E HN 0.265 nan 8.360 nan 0.000 0.518 204 F N 0.777 120.577 119.950 -0.251 0.000 2.647 204 F HA 0.161 4.688 4.527 0.000 0.000 0.300 204 F C 0.690 176.261 175.800 -0.382 0.000 1.106 204 F CA -0.441 57.312 58.000 -0.412 0.000 1.313 204 F CB 0.262 38.867 39.000 -0.658 0.000 1.007 204 F HN -0.174 nan 8.300 nan 0.000 0.536 205 E N 1.059 121.244 120.200 -0.025 0.000 2.384 205 E HA 0.008 4.358 4.350 0.000 0.000 0.266 205 E C 1.235 177.809 176.600 -0.044 0.000 1.012 205 E CA 0.099 56.501 56.400 0.002 0.000 0.901 205 E CB 0.569 30.323 29.700 0.090 0.000 0.967 205 E HN 0.219 nan 8.360 nan 0.000 0.435 206 I N 3.618 124.173 120.570 -0.026 0.000 2.353 206 I HA -0.137 4.033 4.170 0.000 0.000 0.248 206 I C 0.834 176.949 176.117 -0.004 0.000 1.119 206 I CA 1.398 62.687 61.300 -0.020 0.000 1.417 206 I CB -0.210 37.801 38.000 0.019 0.000 1.078 206 I HN 0.597 nan 8.210 nan 0.000 0.421 207 D N -0.287 120.120 120.400 0.011 0.000 2.183 207 D HA -0.100 4.540 4.640 0.000 0.000 0.203 207 D C 2.157 178.460 176.300 0.004 0.000 0.969 207 D CA 1.720 55.727 54.000 0.012 0.000 0.842 207 D CB -0.245 40.566 40.800 0.017 0.000 0.957 207 D HN 0.359 nan 8.370 nan 0.000 0.484 208 T N -0.075 114.482 114.554 0.005 0.000 2.896 208 T HA 0.040 4.390 4.350 0.000 0.000 0.263 208 T C 2.081 176.768 174.700 -0.022 0.000 1.050 208 T CA 1.021 63.122 62.100 0.002 0.000 1.140 208 T CB -0.228 68.659 68.868 0.033 0.000 0.877 208 T HN 0.133 nan 8.240 nan 0.000 0.457 209 A N 2.318 125.114 122.820 -0.041 0.000 1.877 209 A HA -0.117 4.203 4.320 0.000 0.000 0.216 209 A C 2.462 180.020 177.584 -0.044 0.000 1.186 209 A CA 1.310 53.310 52.037 -0.062 0.000 0.620 209 A CB -0.567 18.383 19.000 -0.084 0.000 0.822 209 A HN 0.373 nan 8.150 nan 0.000 0.443 210 R N -0.957 119.532 120.500 -0.019 0.000 2.083 210 R HA -0.180 4.160 4.340 0.000 0.000 0.237 210 R C 2.578 178.875 176.300 -0.006 0.000 1.137 210 R CA 1.570 57.671 56.100 0.003 0.000 0.951 210 R CB -0.371 29.940 30.300 0.018 0.000 0.851 210 R HN 0.690 nan 8.270 nan 0.000 0.434 211 Q N 0.479 120.271 119.800 -0.013 0.000 2.050 211 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 211 Q C 1.978 177.952 176.000 -0.044 0.000 0.980 211 Q CA 1.456 57.249 55.803 -0.017 0.000 0.840 211 Q CB 0.169 28.899 28.738 -0.012 0.000 0.898 211 Q HN 0.366 nan 8.270 nan 0.000 0.424 212 Q N -0.050 119.712 119.800 -0.064 0.000 2.172 212 Q HA -0.031 4.309 4.340 0.000 0.000 0.200 212 Q C 2.257 178.141 176.000 -0.192 0.000 0.964 212 Q CA 0.675 56.418 55.803 -0.100 0.000 0.855 212 Q CB 0.031 28.718 28.738 -0.085 0.000 0.918 212 Q HN 0.398 nan 8.270 nan 0.000 0.444 213 L N 0.574 121.666 121.223 -0.217 0.000 2.068 213 L HA -0.101 4.239 4.340 0.000 0.000 0.204 213 L C 2.070 178.655 176.870 -0.475 0.000 1.076 213 L CA 0.641 55.196 54.840 -0.475 0.000 0.753 213 L CB -0.429 41.474 42.059 -0.261 0.000 0.910 213 L HN 0.155 nan 8.230 nan 0.000 0.439 214 N N 0.289 118.930 118.700 -0.099 0.000 2.149 214 N HA -0.209 4.531 4.740 0.000 0.000 0.188 214 N C 1.861 177.371 175.510 -0.000 0.000 1.019 214 N CA 1.342 54.424 53.050 0.053 0.000 0.857 214 N CB -0.222 38.310 38.487 0.076 0.000 0.997 214 N HN 0.165 nan 8.380 nan 0.000 0.426 215 L N 1.797 122.979 121.223 -0.069 0.000 1.994 215 L HA -0.192 4.148 4.340 0.000 0.000 0.208 215 L C 2.557 179.381 176.870 -0.077 0.000 1.071 215 L CA 1.715 56.523 54.840 -0.053 0.000 0.745 215 L CB -0.806 41.217 42.059 -0.059 0.000 0.892 215 L HN 0.058 nan 8.230 nan 0.000 0.431 216 Q N -0.687 118.986 119.800 -0.211 0.000 2.061 216 Q HA -0.219 4.121 4.340 0.000 0.000 0.204 216 Q C 1.807 177.768 176.000 -0.066 0.000 0.984 216 Q CA 2.191 57.853 55.803 -0.235 0.000 0.846 216 Q CB -0.449 28.001 28.738 -0.481 0.000 0.902 216 Q HN 0.509 nan 8.270 nan 0.000 0.421 217 F N -0.471 119.511 119.950 0.054 0.000 2.780 217 F HA 0.333 4.860 4.527 0.000 0.000 0.299 217 F C 1.614 177.496 175.800 0.137 0.000 1.146 217 F CA 0.389 58.449 58.000 0.099 0.000 1.428 217 F CB -0.670 38.407 39.000 0.130 0.000 1.115 217 F HN 0.237 nan 8.300 nan 0.000 0.583 218 G N 1.573 110.506 108.800 0.222 0.000 2.305 218 G HA2 -0.268 3.692 3.960 0.000 0.000 0.287 218 G HA3 -0.268 3.692 3.960 0.000 0.000 0.287 218 G C 0.261 175.265 174.900 0.173 0.000 1.036 218 G CA 0.610 45.804 45.100 0.157 0.000 0.887 218 G HN 0.540 nan 8.290 nan 0.000 0.505 219 T N -3.636 111.051 114.554 0.221 0.000 2.950 219 T HA 0.748 5.098 4.350 0.000 0.000 0.288 219 T C 1.287 176.060 174.700 0.123 0.000 1.035 219 T CA -0.760 61.448 62.100 0.179 0.000 1.028 219 T CB 2.002 71.032 68.868 0.271 0.000 1.109 219 T HN 0.057 nan 8.240 nan 0.000 0.514 220 R N 0.773 121.319 120.500 0.077 0.000 2.066 220 R HA 0.146 4.486 4.340 0.000 0.000 0.224 220 R C 0.081 176.420 176.300 0.064 0.000 1.122 220 R CA 1.059 57.193 56.100 0.056 0.000 0.974 220 R CB -0.379 29.939 30.300 0.031 0.000 0.871 220 R HN 0.890 nan 8.270 nan 0.000 0.435 221 D N -1.460 118.980 120.400 0.066 0.000 2.566 221 D HA 0.183 4.824 4.640 0.000 0.000 0.254 221 D C 0.185 176.556 176.300 0.118 0.000 1.090 221 D CA -0.732 53.315 54.000 0.078 0.000 1.034 221 D CB 0.660 41.484 40.800 0.040 0.000 1.434 221 D HN -0.125 nan 8.370 nan 0.000 0.509 222 L N 0.890 122.203 121.223 0.149 0.000 2.791 222 L HA 0.215 4.555 4.340 0.000 0.000 0.239 222 L C 1.457 178.386 176.870 0.099 0.000 1.203 222 L CA -0.327 54.667 54.840 0.257 0.000 1.002 222 L CB 0.247 42.492 42.059 0.311 0.000 1.295 222 L HN 0.248 nan 8.230 nan 0.000 0.504 223 V N 1.039 120.950 119.914 -0.005 0.000 2.233 223 V HA -0.242 3.878 4.120 0.000 0.000 0.247 223 V C 2.619 178.641 176.094 -0.121 0.000 1.050 223 V CA 2.458 64.732 62.300 -0.044 0.000 1.010 223 V CB -0.862 30.932 31.823 -0.047 0.000 0.637 223 V HN 0.659 nan 8.190 nan 0.000 0.444 224 G N -0.906 107.731 108.800 -0.271 0.000 2.485 224 G HA2 -0.257 3.703 3.960 0.000 0.000 0.221 224 G HA3 -0.257 3.703 3.960 0.000 0.000 0.221 224 G C 1.230 175.883 174.900 -0.412 0.000 1.115 224 G CA 0.892 45.750 45.100 -0.403 0.000 0.751 224 G HN 0.526 nan 8.290 nan 0.000 0.567 225 F N 0.216 120.125 119.950 -0.069 0.000 2.776 225 F HA 0.343 4.870 4.527 0.000 0.000 0.300 225 F C 2.011 177.763 175.800 -0.081 0.000 1.116 225 F CA -0.228 57.707 58.000 -0.109 0.000 1.375 225 F CB -0.017 38.880 39.000 -0.172 0.000 1.109 225 F HN 0.223 nan 8.300 nan 0.000 0.585 226 G N 0.830 109.674 108.800 0.075 0.000 2.160 226 G HA2 -0.218 3.742 3.960 0.000 0.000 0.244 226 G HA3 -0.218 3.742 3.960 0.000 0.000 0.244 226 G C 0.607 175.537 174.900 0.049 0.000 1.022 226 G CA 0.534 45.659 45.100 0.041 0.000 0.741 226 G HN 0.699 nan 8.290 nan 0.000 0.508 227 V N -3.718 116.241 119.914 0.074 0.000 3.382 227 V HA 0.550 4.670 4.120 0.000 0.000 0.296 227 V C 1.623 177.755 176.094 0.064 0.000 1.529 227 V CA 1.274 63.608 62.300 0.057 0.000 1.048 227 V CB 0.777 32.621 31.823 0.035 0.000 0.878 227 V HN 0.234 nan 8.190 nan 0.000 0.442 228 E N 2.269 122.510 120.200 0.069 0.000 2.118 228 E HA -0.231 4.119 4.350 0.000 0.000 0.195 228 E C 1.935 178.564 176.600 0.048 0.000 0.992 228 E CA 2.006 58.442 56.400 0.061 0.000 0.804 228 E CB -0.357 29.372 29.700 0.048 0.000 0.741 228 E HN 0.609 nan 8.360 nan 0.000 0.458 229 N N -0.105 118.619 118.700 0.041 0.000 2.405 229 N HA -0.159 4.581 4.740 0.000 0.000 0.189 229 N C -0.420 175.118 175.510 0.048 0.000 1.021 229 N CA 1.277 54.350 53.050 0.038 0.000 0.891 229 N CB -0.097 38.409 38.487 0.031 0.000 0.955 229 N HN 0.208 nan 8.380 nan 0.000 0.443 230 A N 0.206 123.059 122.820 0.055 0.000 2.938 230 A HA 0.429 4.749 4.320 0.000 0.000 0.344 230 A C -1.765 175.870 177.584 0.084 0.000 1.142 230 A CA -1.189 50.889 52.037 0.069 0.000 0.841 230 A CB 1.013 20.051 19.000 0.063 0.000 1.083 230 A HN -0.063 nan 8.150 nan 0.000 0.479 231 P HA -0.146 nan 4.420 nan 0.000 0.215 231 P C 1.718 179.118 177.300 0.167 0.000 1.157 231 P CA 0.877 64.041 63.100 0.108 0.000 0.863 231 P CB 0.135 31.903 31.700 0.114 0.000 0.787 232 R N -0.562 120.086 120.500 0.246 0.000 2.134 232 R HA -0.153 4.187 4.340 0.000 0.000 0.248 232 R C 2.394 178.927 176.300 0.388 0.000 1.143 232 R CA 2.138 58.494 56.100 0.427 0.000 0.957 232 R CB -1.258 29.233 30.300 0.317 0.000 0.867 232 R HN 0.251 nan 8.270 nan 0.000 0.441 233 G N -0.168 108.772 108.800 0.232 0.000 2.426 233 G HA2 -0.132 3.829 3.960 0.000 0.000 0.214 233 G HA3 -0.132 3.829 3.960 0.000 0.000 0.214 233 G C 1.424 176.371 174.900 0.079 0.000 1.156 233 G CA -0.038 45.169 45.100 0.178 0.000 0.802 233 G HN 0.159 nan 8.290 nan 0.000 0.534 234 L N 0.285 121.535 121.223 0.044 0.000 2.127 234 L HA -0.133 4.207 4.340 0.000 0.000 0.211 234 L C 2.926 179.758 176.870 -0.064 0.000 1.089 234 L CA 0.553 55.385 54.840 -0.013 0.000 0.757 234 L CB -0.434 41.628 42.059 0.005 0.000 0.899 234 L HN 0.254 nan 8.230 nan 0.000 0.434 235 C N -0.478 118.766 119.300 -0.093 0.000 2.432 235 C HA -0.135 4.325 4.460 0.000 0.000 0.277 235 C C 3.121 177.944 174.990 -0.279 0.000 1.249 235 C CA 0.812 59.666 59.018 -0.272 0.000 1.725 235 C CB -0.969 26.411 27.740 -0.599 0.000 2.028 235 C HN 0.627 nan 8.230 nan 0.000 0.477 236 A N 0.264 123.030 122.820 -0.091 0.000 1.969 236 A HA 0.121 4.441 4.320 0.000 0.000 0.218 236 A C 2.304 179.829 177.584 -0.099 0.000 1.169 236 A CA 1.878 53.916 52.037 0.002 0.000 0.635 236 A CB -0.718 18.434 19.000 0.254 0.000 0.810 236 A HN 0.577 nan 8.150 nan 0.000 0.445 237 A N -0.445 122.348 122.820 -0.044 0.000 1.969 237 A HA 0.191 4.511 4.320 0.000 0.000 0.218 237 A C 2.321 179.914 177.584 0.015 0.000 1.169 237 A CA 1.709 53.767 52.037 0.036 0.000 0.635 237 A CB -1.173 17.783 19.000 -0.074 0.000 0.810 237 A HN 0.634 nan 8.150 nan 0.000 0.445 238 G N -0.849 107.879 108.800 -0.120 0.000 2.433 238 G HA2 -0.304 3.656 3.960 0.000 0.000 0.216 238 G HA3 -0.304 3.656 3.960 0.000 0.000 0.216 238 G C 1.804 176.567 174.900 -0.228 0.000 1.186 238 G CA 1.243 46.251 45.100 -0.154 0.000 0.779 238 G HN 0.582 nan 8.290 nan 0.000 0.543 239 C N -0.030 119.001 119.300 -0.449 0.000 2.388 239 C HA -0.088 4.372 4.460 0.000 0.000 0.277 239 C C 2.768 177.582 174.990 -0.293 0.000 1.210 239 C CA 1.251 59.927 59.018 -0.570 0.000 1.743 239 C CB -1.143 25.849 27.740 -1.247 0.000 2.047 239 C HN 0.385 nan 8.230 nan 0.000 0.458 240 L N 0.605 121.690 121.223 -0.230 0.000 1.991 240 L HA -0.182 4.158 4.340 0.000 0.000 0.221 240 L C 2.358 179.175 176.870 -0.089 0.000 1.079 240 L CA 2.561 57.328 54.840 -0.121 0.000 0.778 240 L CB -1.084 40.942 42.059 -0.054 0.000 0.893 240 L HN 0.523 nan 8.230 nan 0.000 0.437 241 L N -1.111 120.066 121.223 -0.076 0.000 2.046 241 L HA -0.238 4.102 4.340 0.000 0.000 0.208 241 L C 2.501 179.323 176.870 -0.081 0.000 1.077 241 L CA 1.731 56.508 54.840 -0.104 0.000 0.747 241 L CB -0.577 41.460 42.059 -0.038 0.000 0.896 241 L HN 0.411 nan 8.230 nan 0.000 0.432 242 Q N -1.971 117.788 119.800 -0.068 0.000 2.084 242 Q HA -0.270 4.070 4.340 0.000 0.000 0.202 242 Q C 2.115 178.110 176.000 -0.009 0.000 0.978 242 Q CA 2.244 58.020 55.803 -0.043 0.000 0.844 242 Q CB -0.338 28.370 28.738 -0.049 0.000 0.898 242 Q HN 0.648 nan 8.270 nan 0.000 0.426 243 Y N -0.046 120.172 120.300 -0.138 0.000 2.263 243 Y HA -0.140 4.410 4.550 0.000 0.000 0.292 243 Y C 2.023 177.860 175.900 -0.105 0.000 1.130 243 Y CA 1.125 59.156 58.100 -0.116 0.000 1.179 243 Y CB -0.201 38.180 38.460 -0.132 0.000 0.998 243 Y HN 0.117 nan 8.280 nan 0.000 0.532 244 A N 0.210 123.025 122.820 -0.008 0.000 1.898 244 A HA -0.181 4.139 4.320 0.000 0.000 0.216 244 A C 2.171 179.685 177.584 -0.116 0.000 1.181 244 A CA 1.866 53.851 52.037 -0.087 0.000 0.620 244 A CB -0.480 18.440 19.000 -0.133 0.000 0.819 244 A HN 0.473 nan 8.150 nan 0.000 0.442 245 K N -0.739 119.601 120.400 -0.100 0.000 2.148 245 K HA -0.156 4.164 4.320 0.000 0.000 0.204 245 K C 1.681 178.225 176.600 -0.095 0.000 1.050 245 K CA 1.492 57.729 56.287 -0.084 0.000 0.942 245 K CB -0.157 32.304 32.500 -0.065 0.000 0.724 245 K HN 0.567 nan 8.250 nan 0.000 0.446 246 D N -0.134 120.189 120.400 -0.130 0.000 2.234 246 D HA -0.104 4.536 4.640 0.000 0.000 0.205 246 D C 1.794 177.983 176.300 -0.184 0.000 0.962 246 D CA 1.456 55.376 54.000 -0.133 0.000 0.855 246 D CB 0.238 40.951 40.800 -0.145 0.000 0.951 246 D HN 0.230 nan 8.370 nan 0.000 0.500 247 T N -2.327 112.064 114.554 -0.271 0.000 2.809 247 T HA -0.094 4.256 4.350 0.000 0.000 0.260 247 T C 1.813 176.419 174.700 -0.157 0.000 1.039 247 T CA 0.608 62.551 62.100 -0.262 0.000 1.141 247 T CB -0.219 68.463 68.868 -0.311 0.000 0.869 247 T HN -0.004 nan 8.240 nan 0.000 0.437 248 Q N 1.088 120.815 119.800 -0.122 0.000 2.123 248 Q HA 0.211 4.551 4.340 0.000 0.000 0.196 248 Q C 0.972 176.933 176.000 -0.065 0.000 0.958 248 Q CA 0.525 56.277 55.803 -0.084 0.000 0.841 248 Q CB -0.272 28.426 28.738 -0.067 0.000 0.915 248 Q HN 0.640 nan 8.270 nan 0.000 0.455 249 R N 0.880 121.344 120.500 -0.060 0.000 3.641 249 R HA -0.128 4.212 4.340 0.000 0.000 0.286 249 R C -0.283 175.999 176.300 -0.029 0.000 1.153 249 R CA 0.938 57.015 56.100 -0.038 0.000 0.775 249 R CB -2.641 27.642 30.300 -0.028 0.000 1.215 249 R HN 0.509 nan 8.270 nan 0.000 0.474 250 T N -4.308 110.225 114.554 -0.036 0.000 2.864 250 T HA 0.496 4.846 4.350 0.000 0.000 0.289 250 T C 0.508 175.189 174.700 -0.032 0.000 1.082 250 T CA -0.365 61.716 62.100 -0.032 0.000 1.009 250 T CB 1.916 70.757 68.868 -0.044 0.000 1.234 250 T HN 0.157 nan 8.240 nan 0.000 0.526 251 T N 0.185 114.722 114.554 -0.028 0.000 2.855 251 T HA 0.406 4.756 4.350 0.000 0.000 0.322 251 T C 0.158 174.846 174.700 -0.021 0.000 1.088 251 T CA -0.575 61.513 62.100 -0.020 0.000 1.104 251 T CB -0.211 68.648 68.868 -0.014 0.000 0.996 251 T HN 0.584 nan 8.240 nan 0.000 0.549 252 L N 2.817 124.052 121.223 0.019 0.000 2.594 252 L HA 0.292 4.632 4.340 0.000 0.000 0.245 252 L C -1.712 175.275 176.870 0.195 0.000 1.460 252 L CA -1.619 53.282 54.840 0.102 0.000 0.865 252 L CB 1.655 43.778 42.059 0.108 0.000 1.131 252 L HN 0.551 nan 8.230 nan 0.000 0.506 253 P HA -0.101 nan 4.420 nan 0.000 0.241 253 P C 0.961 178.374 177.300 0.188 0.000 1.191 253 P CA 0.835 64.006 63.100 0.119 0.000 0.771 253 P CB -0.045 31.678 31.700 0.039 0.000 0.929 254 H N -0.619 118.449 119.070 -0.003 0.000 2.555 254 H HA 0.153 4.709 4.556 0.000 0.000 0.269 254 H C 0.661 176.005 175.328 0.028 0.000 0.988 254 H CA -0.460 55.590 56.048 0.004 0.000 1.178 254 H CB -1.253 28.496 29.762 -0.022 0.000 1.373 254 H HN 0.154 nan 8.280 nan 0.000 0.588 255 I N 3.434 124.024 120.570 0.033 0.000 2.318 255 I HA 0.181 4.351 4.170 0.000 0.000 0.285 255 I C 1.150 177.396 176.117 0.215 0.000 1.127 255 I CA -0.245 61.062 61.300 0.013 0.000 1.243 255 I CB 0.336 38.295 38.000 -0.068 0.000 1.498 255 I HN 0.217 nan 8.210 nan 0.000 0.535 256 R N 1.674 122.256 120.500 0.137 0.000 2.362 256 R HA 0.321 4.662 4.340 0.000 0.000 0.227 256 R C 0.321 176.505 176.300 -0.194 0.000 0.905 256 R CA -0.087 56.091 56.100 0.129 0.000 1.067 256 R CB 0.604 30.962 30.300 0.097 0.000 1.078 256 R HN 0.360 nan 8.270 nan 0.000 0.516 257 S N 0.085 115.540 115.700 -0.408 0.000 2.547 257 S HA 0.537 5.007 4.470 0.000 0.000 0.270 257 S C -1.763 172.390 174.600 -0.745 0.000 1.150 257 S CA -0.814 56.847 58.200 -0.899 0.000 0.850 257 S CB 1.750 64.748 63.200 -0.337 0.000 1.118 257 S HN 0.294 nan 8.310 nan 0.000 0.461 258 I N 2.390 122.330 120.570 -1.050 0.000 2.647 258 I HA 0.630 4.800 4.170 0.000 0.000 0.295 258 I C -1.112 174.780 176.117 -0.375 0.000 1.078 258 I CA -0.103 60.820 61.300 -0.628 0.000 1.048 258 I CB 2.309 39.841 38.000 -0.780 0.000 1.239 258 I HN 0.623 nan 8.210 nan 0.000 0.421 259 T N 7.523 121.947 114.554 -0.216 0.000 2.861 259 T HA 0.419 4.769 4.350 0.000 0.000 0.287 259 T C -0.351 174.307 174.700 -0.070 0.000 1.003 259 T CA -0.489 61.555 62.100 -0.094 0.000 0.977 259 T CB 1.591 70.432 68.868 -0.045 0.000 0.996 259 T HN 0.470 nan 8.240 nan 0.000 0.448 260 M N 2.383 121.964 119.600 -0.032 0.000 2.235 260 M HA 0.291 4.771 4.480 0.000 0.000 0.351 260 M C -0.133 176.170 176.300 0.004 0.000 1.178 260 M CA -0.059 55.235 55.300 -0.010 0.000 1.143 260 M CB 0.756 33.359 32.600 0.005 0.000 1.530 260 M HN 0.612 nan 8.290 nan 0.000 0.461 261 E N 3.319 123.531 120.200 0.020 0.000 2.256 261 E HA 0.263 4.613 4.350 0.000 0.000 0.243 261 E C -1.037 175.579 176.600 0.026 0.000 0.925 261 E CA -0.306 56.108 56.400 0.025 0.000 0.748 261 E CB 1.051 30.777 29.700 0.044 0.000 1.206 261 E HN 0.535 nan 8.360 nan 0.000 0.428 262 R N 1.265 121.772 120.500 0.011 0.000 2.641 262 R HA 0.021 4.361 4.340 0.000 0.000 0.269 262 R C 1.227 177.525 176.300 -0.003 0.000 1.074 262 R CA 0.128 56.232 56.100 0.006 0.000 1.133 262 R CB 0.600 30.897 30.300 -0.006 0.000 1.029 262 R HN 0.562 nan 8.270 nan 0.000 0.488 263 E N 1.560 121.758 120.200 -0.004 0.000 2.150 263 E HA -0.261 4.089 4.350 0.000 0.000 0.193 263 E C 1.219 177.795 176.600 -0.041 0.000 0.985 263 E CA 1.119 57.508 56.400 -0.018 0.000 0.814 263 E CB -0.033 29.660 29.700 -0.010 0.000 0.752 263 E HN 0.536 nan 8.360 nan 0.000 0.466 264 Q N 1.080 120.855 119.800 -0.042 0.000 2.226 264 Q HA -0.130 4.210 4.340 0.000 0.000 0.204 264 Q C 1.385 177.346 176.000 -0.066 0.000 0.975 264 Q CA 1.436 57.203 55.803 -0.061 0.000 0.866 264 Q CB 0.047 28.752 28.738 -0.055 0.000 0.915 264 Q HN 0.273 nan 8.270 nan 0.000 0.440 265 D N -0.160 120.209 120.400 -0.052 0.000 2.277 265 D HA -0.004 4.636 4.640 0.000 0.000 0.208 265 D C 0.454 176.713 176.300 -0.068 0.000 0.962 265 D CA 0.787 54.754 54.000 -0.055 0.000 0.865 265 D CB 0.200 40.976 40.800 -0.040 0.000 0.939 265 D HN 0.267 nan 8.370 nan 0.000 0.510 266 S N -0.804 114.854 115.700 -0.070 0.000 2.704 266 S HA 0.553 5.023 4.470 0.000 0.000 0.296 266 S C -0.400 174.134 174.600 -0.110 0.000 1.138 266 S CA -0.967 57.184 58.200 -0.081 0.000 0.875 266 S CB 1.702 64.872 63.200 -0.050 0.000 1.151 266 S HN -0.042 nan 8.310 nan 0.000 0.500 267 I N 1.607 122.099 120.570 -0.131 0.000 2.322 267 I HA 0.256 4.426 4.170 0.000 0.000 0.292 267 I C -0.680 175.361 176.117 -0.126 0.000 1.060 267 I CA -0.478 60.727 61.300 -0.159 0.000 1.309 267 I CB 0.315 38.195 38.000 -0.200 0.000 1.415 267 I HN 0.507 nan 8.210 nan 0.000 0.492 268 I N 7.583 128.068 120.570 -0.142 0.000 2.347 268 I HA 0.121 4.291 4.170 0.000 0.000 0.294 268 I C 0.315 176.296 176.117 -0.227 0.000 1.090 268 I CA 0.328 61.538 61.300 -0.151 0.000 1.314 268 I CB 0.100 38.016 38.000 -0.141 0.000 1.423 268 I HN 0.424 nan 8.210 nan 0.000 0.503 269 M N 5.917 125.416 119.600 -0.168 0.000 2.113 269 M HA 0.257 4.737 4.480 0.000 0.000 0.352 269 M C -0.173 176.026 176.300 -0.167 0.000 1.170 269 M CA -0.996 54.196 55.300 -0.181 0.000 1.053 269 M CB 0.842 33.387 32.600 -0.091 0.000 1.601 269 M HN 0.489 nan 8.290 nan 0.000 0.459 270 D N 2.848 123.115 120.400 -0.221 0.000 2.352 270 D HA 0.136 4.776 4.640 0.000 0.000 0.238 270 D C 0.980 177.244 176.300 -0.061 0.000 1.286 270 D CA -0.269 53.657 54.000 -0.122 0.000 0.923 270 D CB 0.579 41.340 40.800 -0.066 0.000 1.146 270 D HN 0.634 nan 8.370 nan 0.000 0.471 271 A N 0.458 123.254 122.820 -0.039 0.000 1.933 271 A HA 0.026 4.346 4.320 0.000 0.000 0.218 271 A C 2.209 179.786 177.584 -0.011 0.000 1.175 271 A CA 2.466 54.487 52.037 -0.027 0.000 0.628 271 A CB -1.213 17.768 19.000 -0.033 0.000 0.814 271 A HN 0.724 nan 8.150 nan 0.000 0.444 272 A N -1.030 121.786 122.820 -0.006 0.000 1.902 272 A HA -0.077 4.243 4.320 0.000 0.000 0.217 272 A C 2.310 179.895 177.584 0.001 0.000 1.181 272 A CA 2.268 54.305 52.037 0.001 0.000 0.623 272 A CB -1.271 17.735 19.000 0.011 0.000 0.818 272 A HN 0.419 nan 8.150 nan 0.000 0.443 273 T N -0.723 113.827 114.554 -0.008 0.000 2.684 273 T HA -0.170 4.180 4.350 0.000 0.000 0.267 273 T C 2.108 176.803 174.700 -0.008 0.000 1.036 273 T CA 1.697 63.788 62.100 -0.016 0.000 1.148 273 T CB -0.223 68.616 68.868 -0.049 0.000 0.863 273 T HN 0.504 nan 8.240 nan 0.000 0.436 274 R N 0.528 121.029 120.500 0.002 0.000 2.083 274 R HA -0.020 4.320 4.340 0.000 0.000 0.237 274 R C 2.746 179.069 176.300 0.037 0.000 1.137 274 R CA 1.411 57.532 56.100 0.034 0.000 0.951 274 R CB -0.057 30.288 30.300 0.074 0.000 0.851 274 R HN 0.316 nan 8.270 nan 0.000 0.434 275 R N -0.550 119.967 120.500 0.028 0.000 2.081 275 R HA -0.099 4.241 4.340 0.000 0.000 0.235 275 R C 1.896 178.209 176.300 0.023 0.000 1.131 275 R CA 1.582 57.697 56.100 0.026 0.000 0.960 275 R CB -0.370 29.940 30.300 0.016 0.000 0.856 275 R HN 0.199 nan 8.270 nan 0.000 0.436 276 N N 0.330 119.041 118.700 0.018 0.000 2.463 276 N HA 0.011 4.751 4.740 0.000 0.000 0.181 276 N C 1.244 176.773 175.510 0.032 0.000 1.078 276 N CA 0.439 53.502 53.050 0.022 0.000 0.902 276 N CB 0.258 38.755 38.487 0.017 0.000 0.970 276 N HN 0.143 nan 8.380 nan 0.000 0.451 277 L N -0.103 121.131 121.223 0.019 0.000 2.463 277 L HA 0.214 4.554 4.340 0.000 0.000 0.219 277 L C -0.197 176.688 176.870 0.025 0.000 1.088 277 L CA 0.211 55.059 54.840 0.013 0.000 0.849 277 L CB -0.076 41.966 42.059 -0.027 0.000 1.012 277 L HN 0.159 nan 8.230 nan 0.000 0.468 278 E N 0.032 120.246 120.200 0.023 0.000 2.257 278 E HA -0.236 4.114 4.350 0.000 0.000 0.217 278 E C 0.823 177.427 176.600 0.007 0.000 1.248 278 E CA 0.072 56.489 56.400 0.028 0.000 0.691 278 E CB -1.601 28.124 29.700 0.042 0.000 1.185 278 E HN 0.460 nan 8.360 nan 0.000 0.377 279 I N 0.057 120.609 120.570 -0.030 0.000 2.090 279 I HA -0.224 3.946 4.170 0.000 0.000 0.236 279 I C 2.472 178.558 176.117 -0.051 0.000 1.064 279 I CA 2.280 63.513 61.300 -0.112 0.000 1.324 279 I CB -0.200 37.587 38.000 -0.355 0.000 1.044 279 I HN 0.419 nan 8.210 nan 0.000 0.399 280 T N -3.635 110.940 114.554 0.035 0.000 3.043 280 T HA 0.227 4.577 4.350 0.000 0.000 0.272 280 T C 0.383 175.129 174.700 0.076 0.000 0.990 280 T CA -0.351 61.800 62.100 0.085 0.000 0.897 280 T CB 0.326 69.302 68.868 0.180 0.000 1.111 280 T HN 0.182 nan 8.240 nan 0.000 0.529 281 Q N 2.203 122.045 119.800 0.070 0.000 2.274 281 Q HA 0.438 4.778 4.340 0.000 0.000 0.268 281 Q C -1.117 174.906 176.000 0.038 0.000 1.015 281 Q CA -0.812 55.022 55.803 0.051 0.000 0.775 281 Q CB 1.652 30.423 28.738 0.054 0.000 1.256 281 Q HN 0.523 nan 8.270 nan 0.000 0.442 282 N N 1.849 120.566 118.700 0.028 0.000 2.326 282 N HA 0.025 4.765 4.740 0.000 0.000 0.239 282 N C 0.464 175.986 175.510 0.020 0.000 1.301 282 N CA -0.110 52.953 53.050 0.022 0.000 0.909 282 N CB 0.596 39.092 38.487 0.015 0.000 1.156 282 N HN 0.621 nan 8.380 nan 0.000 0.462 283 L N -1.253 119.980 121.223 0.017 0.000 2.275 283 L HA -0.003 4.337 4.340 0.000 0.000 0.215 283 L C 1.934 178.811 176.870 0.011 0.000 1.119 283 L CA 1.321 56.169 54.840 0.014 0.000 0.790 283 L CB -0.496 41.570 42.059 0.012 0.000 0.919 283 L HN 0.839 nan 8.230 nan 0.000 0.443 284 A N -0.749 122.076 122.820 0.009 0.000 2.327 284 A HA 0.440 4.760 4.320 0.000 0.000 0.228 284 A C 1.741 179.331 177.584 0.009 0.000 1.275 284 A CA 0.612 52.654 52.037 0.008 0.000 0.875 284 A CB -0.590 18.413 19.000 0.005 0.000 0.925 284 A HN 0.489 nan 8.150 nan 0.000 0.493 285 G N -1.467 107.340 108.800 0.012 0.000 2.299 285 G HA2 -0.136 3.825 3.960 0.000 0.000 0.237 285 G HA3 -0.136 3.825 3.960 0.000 0.000 0.237 285 G C 0.954 175.862 174.900 0.014 0.000 1.027 285 G CA 0.246 45.353 45.100 0.012 0.000 0.619 285 G HN 1.430 nan 8.290 nan 0.000 0.513 286 G N -0.531 108.277 108.800 0.012 0.000 2.588 286 G HA2 0.637 4.597 3.960 0.000 0.000 0.278 286 G HA3 0.637 4.597 3.960 0.000 0.000 0.278 286 G C 0.965 175.875 174.900 0.016 0.000 1.307 286 G CA 0.700 45.807 45.100 0.012 0.000 1.016 286 G HN 1.426 nan 8.290 nan 0.000 0.503 287 A N -0.933 121.896 122.820 0.015 0.000 2.470 287 A HA 0.452 4.772 4.320 0.000 0.000 0.251 287 A C 0.444 178.037 177.584 0.015 0.000 1.245 287 A CA -0.006 52.042 52.037 0.018 0.000 0.932 287 A CB 0.109 19.119 19.000 0.017 0.000 1.037 287 A HN 0.537 nan 8.150 nan 0.000 0.522 288 E N 0.725 120.932 120.200 0.012 0.000 2.242 288 E HA 0.453 4.803 4.350 0.000 0.000 0.275 288 E C -0.221 176.385 176.600 0.009 0.000 1.002 288 E CA -0.783 55.622 56.400 0.009 0.000 0.841 288 E CB 0.341 30.044 29.700 0.005 0.000 1.109 288 E HN 0.171 nan 8.360 nan 0.000 0.394 289 N N -0.023 118.682 118.700 0.009 0.000 2.754 289 N HA -0.159 4.581 4.740 0.000 0.000 0.248 289 N C -0.724 174.798 175.510 0.019 0.000 1.093 289 N CA 1.397 54.452 53.050 0.009 0.000 0.699 289 N CB -2.102 36.384 38.487 -0.002 0.000 1.016 289 N HN 0.732 nan 8.380 nan 0.000 0.552 290 T N -3.654 110.914 114.554 0.023 0.000 2.910 290 T HA 0.575 4.925 4.350 0.000 0.000 0.279 290 T C 1.417 176.136 174.700 0.032 0.000 0.989 290 T CA -0.702 61.415 62.100 0.029 0.000 0.968 290 T CB 1.484 70.366 68.868 0.024 0.000 1.135 290 T HN 0.036 nan 8.240 nan 0.000 0.562 291 L N 0.650 121.888 121.223 0.025 0.000 2.217 291 L HA 0.259 4.599 4.340 0.000 0.000 0.211 291 L C 2.585 179.467 176.870 0.019 0.000 1.107 291 L CA 1.956 56.809 54.840 0.022 0.000 0.783 291 L CB -1.185 40.869 42.059 -0.007 0.000 0.919 291 L HN 0.876 nan 8.230 nan 0.000 0.442 292 A N -0.651 122.175 122.820 0.010 0.000 1.968 292 A HA -0.146 4.174 4.320 0.000 0.000 0.217 292 A C 2.488 180.081 177.584 0.015 0.000 1.169 292 A CA 1.457 53.501 52.037 0.011 0.000 0.638 292 A CB -1.005 18.003 19.000 0.013 0.000 0.812 292 A HN 0.650 nan 8.150 nan 0.000 0.446 293 S N -0.413 115.297 115.700 0.017 0.000 2.400 293 S HA -0.120 4.350 4.470 0.000 0.000 0.232 293 S C 1.722 176.331 174.600 0.015 0.000 1.025 293 S CA 1.583 59.791 58.200 0.014 0.000 0.993 293 S CB -0.702 62.507 63.200 0.013 0.000 0.808 293 S HN 0.225 nan 8.310 nan 0.000 0.478 294 V N 1.731 121.660 119.914 0.025 0.000 2.300 294 V HA 0.103 4.223 4.120 0.000 0.000 0.241 294 V C 2.472 178.586 176.094 0.033 0.000 1.034 294 V CA 1.438 63.757 62.300 0.032 0.000 1.021 294 V CB -0.632 31.224 31.823 0.056 0.000 0.662 294 V HN 0.463 nan 8.190 nan 0.000 0.458 295 L N 0.054 121.305 121.223 0.047 0.000 2.465 295 L HA 0.029 4.369 4.340 0.000 0.000 0.224 295 L C 0.718 177.599 176.870 0.018 0.000 1.145 295 L CA 0.646 55.517 54.840 0.052 0.000 0.834 295 L CB -0.232 41.872 42.059 0.075 0.000 0.944 295 L HN 0.343 nan 8.230 nan 0.000 0.451 296 D N -0.276 120.128 120.400 0.006 0.000 2.485 296 D HA 0.161 4.801 4.640 0.000 0.000 0.221 296 D C -0.271 176.021 176.300 -0.014 0.000 1.112 296 D CA -0.323 53.670 54.000 -0.010 0.000 0.911 296 D CB 0.467 41.260 40.800 -0.011 0.000 1.019 296 D HN 0.044 nan 8.370 nan 0.000 0.516 297 C N 3.450 122.739 119.300 -0.018 0.000 2.660 297 C HA 0.258 4.718 4.460 0.000 0.000 0.265 297 C C 0.965 175.940 174.990 -0.025 0.000 1.573 297 C CA -0.671 58.336 59.018 -0.018 0.000 1.751 297 C CB -1.705 26.026 27.740 -0.015 0.000 3.033 297 C HN 0.628 nan 8.230 nan 0.000 0.511 298 T N -1.007 113.525 114.554 -0.036 0.000 2.791 298 T HA 0.228 4.578 4.350 0.000 0.000 0.323 298 T C 0.990 175.672 174.700 -0.030 0.000 1.082 298 T CA 0.626 62.700 62.100 -0.043 0.000 1.084 298 T CB 0.885 69.714 68.868 -0.065 0.000 0.992 298 T HN 0.731 nan 8.240 nan 0.000 0.547 299 V N -2.527 117.371 119.914 -0.027 0.000 3.477 299 V HA 0.375 4.495 4.120 0.000 0.000 0.297 299 V C 0.614 176.699 176.094 -0.015 0.000 1.433 299 V CA 0.219 62.510 62.300 -0.016 0.000 1.052 299 V CB -0.680 31.138 31.823 -0.008 0.000 0.895 299 V HN 1.242 nan 8.190 nan 0.000 0.438 300 T N -3.308 111.232 114.554 -0.022 0.000 2.893 300 T HA 0.640 4.990 4.350 0.000 0.000 0.291 300 T C -2.103 172.580 174.700 -0.027 0.000 1.028 300 T CA -1.692 60.396 62.100 -0.020 0.000 0.995 300 T CB 2.194 71.052 68.868 -0.017 0.000 1.051 300 T HN -0.049 nan 8.240 nan 0.000 0.470 301 P HA -0.180 nan 4.420 nan 0.000 0.215 301 P C 1.986 179.267 177.300 -0.030 0.000 1.157 301 P CA 1.697 64.783 63.100 -0.024 0.000 0.874 301 P CB -0.193 31.496 31.700 -0.019 0.000 0.790 302 M N -2.530 117.052 119.600 -0.029 0.000 2.213 302 M HA 0.017 4.497 4.480 0.000 0.000 0.263 302 M C 2.102 178.366 176.300 -0.059 0.000 1.062 302 M CA 2.388 57.669 55.300 -0.032 0.000 1.105 302 M CB -1.730 30.859 32.600 -0.018 0.000 1.385 302 M HN -0.172 nan 8.290 nan 0.000 0.417 303 G N 0.338 109.096 108.800 -0.070 0.000 2.402 303 G HA2 -0.201 3.759 3.960 0.000 0.000 0.216 303 G HA3 -0.201 3.759 3.960 0.000 0.000 0.216 303 G C 1.597 176.416 174.900 -0.135 0.000 1.162 303 G CA 1.005 46.036 45.100 -0.115 0.000 0.777 303 G HN 0.539 nan 8.290 nan 0.000 0.539 304 S N 0.093 115.741 115.700 -0.087 0.000 2.382 304 S HA -0.089 4.381 4.470 0.000 0.000 0.228 304 S C 2.466 177.026 174.600 -0.068 0.000 1.027 304 S CA 1.367 59.524 58.200 -0.072 0.000 0.991 304 S CB -0.209 62.966 63.200 -0.041 0.000 0.823 304 S HN 0.439 nan 8.310 nan 0.000 0.469 305 R N -0.051 120.414 120.500 -0.058 0.000 2.090 305 R HA 0.071 4.411 4.340 0.000 0.000 0.228 305 R C 2.531 178.797 176.300 -0.056 0.000 1.110 305 R CA 1.537 57.616 56.100 -0.035 0.000 0.973 305 R CB -0.330 29.958 30.300 -0.019 0.000 0.869 305 R HN 0.491 nan 8.270 nan 0.000 0.440 306 M N 0.626 120.148 119.600 -0.130 0.000 2.175 306 M HA -0.139 4.341 4.480 0.000 0.000 0.264 306 M C 1.987 178.007 176.300 -0.466 0.000 1.063 306 M CA 1.343 56.493 55.300 -0.250 0.000 1.119 306 M CB -0.004 32.392 32.600 -0.340 0.000 1.377 306 M HN 0.148 nan 8.290 nan 0.000 0.415 307 L N 0.610 121.595 121.223 -0.397 0.000 2.017 307 L HA -0.163 4.177 4.340 0.000 0.000 0.208 307 L C 1.973 178.794 176.870 -0.082 0.000 1.073 307 L CA 1.978 56.615 54.840 -0.339 0.000 0.745 307 L CB -0.771 41.161 42.059 -0.211 0.000 0.894 307 L HN 0.227 nan 8.230 nan 0.000 0.432 308 K N -0.810 119.579 120.400 -0.019 0.000 2.097 308 K HA -0.134 4.186 4.320 0.000 0.000 0.206 308 K C 2.208 178.935 176.600 0.212 0.000 1.049 308 K CA 1.367 57.713 56.287 0.098 0.000 0.933 308 K CB -0.163 32.400 32.500 0.103 0.000 0.717 308 K HN 0.334 nan 8.250 nan 0.000 0.442 309 R N -0.348 120.260 120.500 0.179 0.000 2.096 309 R HA -0.138 4.202 4.340 0.000 0.000 0.235 309 R C 2.021 178.555 176.300 0.390 0.000 1.127 309 R CA 1.370 57.628 56.100 0.263 0.000 0.968 309 R CB -0.118 30.322 30.300 0.233 0.000 0.861 309 R HN 0.282 nan 8.270 nan 0.000 0.440 310 W N 0.651 122.000 121.300 0.082 0.000 2.378 310 W HA -0.082 4.578 4.660 0.000 0.000 0.313 310 W C 1.900 178.451 176.519 0.054 0.000 1.197 310 W CA 0.179 57.563 57.345 0.066 0.000 1.304 310 W CB -1.048 28.445 29.460 0.055 0.000 1.148 310 W HN -0.000 nan 8.180 nan 0.000 0.494 311 L N -0.222 121.167 121.223 0.276 0.000 2.064 311 L HA -0.269 4.071 4.340 0.000 0.000 0.216 311 L C 2.301 179.176 176.870 0.009 0.000 1.077 311 L CA 1.853 56.745 54.840 0.087 0.000 0.766 311 L CB -1.977 40.065 42.059 -0.027 0.000 0.890 311 L HN 0.186 nan 8.230 nan 0.000 0.435 312 H N -2.358 116.780 119.070 0.114 0.000 2.535 312 H HA 0.177 4.733 4.556 0.000 0.000 0.273 312 H C 0.736 176.099 175.328 0.058 0.000 0.983 312 H CA 0.502 56.593 56.048 0.072 0.000 1.238 312 H CB 0.428 30.230 29.762 0.066 0.000 1.412 312 H HN 0.203 nan 8.280 nan 0.000 0.562 313 M N 1.512 121.222 119.600 0.184 0.000 1.956 313 M HA 0.254 4.734 4.480 0.000 0.000 0.256 313 M C -2.746 173.583 176.300 0.048 0.000 0.869 313 M CA -1.582 53.776 55.300 0.098 0.000 0.886 313 M CB 2.274 34.931 32.600 0.095 0.000 1.739 313 M HN -0.209 nan 8.290 nan 0.000 0.381 314 P HA 0.139 nan 4.420 nan 0.000 0.268 314 P C -0.695 176.591 177.300 -0.024 0.000 1.204 314 P CA -0.226 62.891 63.100 0.029 0.000 0.768 314 P CB 0.714 32.449 31.700 0.058 0.000 0.842 315 V N 4.558 124.452 119.914 -0.034 0.000 2.617 315 V HA 0.330 4.450 4.120 0.000 0.000 0.298 315 V C 1.521 177.603 176.094 -0.020 0.000 1.048 315 V CA -0.388 61.871 62.300 -0.068 0.000 0.964 315 V CB 1.597 33.338 31.823 -0.137 0.000 1.004 315 V HN 0.500 nan 8.190 nan 0.000 0.466 316 R N 0.268 120.728 120.500 -0.067 0.000 2.265 316 R HA 0.096 4.436 4.340 0.000 0.000 0.194 316 R C 0.242 176.497 176.300 -0.075 0.000 0.931 316 R CA -0.190 55.868 56.100 -0.070 0.000 1.032 316 R CB 0.154 30.386 30.300 -0.113 0.000 0.980 316 R HN 0.768 nan 8.270 nan 0.000 0.497 317 D N 1.668 122.017 120.400 -0.085 0.000 2.402 317 D HA -0.051 4.589 4.640 0.000 0.000 0.268 317 D C 0.650 176.874 176.300 -0.127 0.000 1.294 317 D CA 0.483 54.429 54.000 -0.090 0.000 0.945 317 D CB 1.090 41.843 40.800 -0.079 0.000 1.112 317 D HN 0.095 nan 8.370 nan 0.000 0.517 318 T N 3.771 118.240 114.554 -0.142 0.000 2.720 318 T HA -0.219 4.131 4.350 0.000 0.000 0.268 318 T C 1.880 176.512 174.700 -0.112 0.000 1.037 318 T CA 1.071 63.047 62.100 -0.206 0.000 1.144 318 T CB -0.004 68.775 68.868 -0.149 0.000 0.864 318 T HN 0.456 nan 8.240 nan 0.000 0.444 319 R N 0.818 121.280 120.500 -0.063 0.000 2.080 319 R HA -0.092 4.248 4.340 0.000 0.000 0.236 319 R C 2.362 178.643 176.300 -0.031 0.000 1.137 319 R CA 1.401 57.483 56.100 -0.030 0.000 0.943 319 R CB -0.690 29.595 30.300 -0.024 0.000 0.846 319 R HN 0.259 nan 8.270 nan 0.000 0.431 320 V N 1.473 121.353 119.914 -0.056 0.000 2.392 320 V HA -0.262 3.858 4.120 0.000 0.000 0.249 320 V C 2.325 178.382 176.094 -0.061 0.000 1.059 320 V CA 1.760 64.019 62.300 -0.068 0.000 1.051 320 V CB -0.365 31.393 31.823 -0.108 0.000 0.658 320 V HN 0.356 nan 8.190 nan 0.000 0.455 321 L N -1.108 120.076 121.223 -0.066 0.000 2.109 321 L HA -0.114 4.226 4.340 0.000 0.000 0.207 321 L C 2.305 179.230 176.870 0.092 0.000 1.086 321 L CA 1.247 56.080 54.840 -0.011 0.000 0.760 321 L CB -0.424 41.578 42.059 -0.094 0.000 0.910 321 L HN 0.286 nan 8.230 nan 0.000 0.437 322 L N -0.676 120.598 121.223 0.085 0.000 2.156 322 L HA -0.146 4.194 4.340 0.000 0.000 0.208 322 L C 2.446 179.368 176.870 0.086 0.000 1.095 322 L CA 1.021 55.931 54.840 0.117 0.000 0.770 322 L CB -0.359 41.759 42.059 0.098 0.000 0.914 322 L HN 0.249 nan 8.230 nan 0.000 0.439 323 E N -0.023 120.209 120.200 0.054 0.000 2.072 323 E HA -0.192 4.158 4.350 0.000 0.000 0.191 323 E C 2.363 179.003 176.600 0.066 0.000 0.985 323 E CA 0.918 57.346 56.400 0.047 0.000 0.801 323 E CB 0.071 29.786 29.700 0.025 0.000 0.750 323 E HN 0.374 nan 8.360 nan 0.000 0.452 324 R N 0.508 121.049 120.500 0.069 0.000 2.066 324 R HA -0.135 4.205 4.340 0.000 0.000 0.232 324 R C 2.443 178.828 176.300 0.141 0.000 1.131 324 R CA 1.364 57.526 56.100 0.104 0.000 0.955 324 R CB -0.155 30.192 30.300 0.079 0.000 0.851 324 R HN 0.205 nan 8.270 nan 0.000 0.432 325 Q N 0.354 120.258 119.800 0.173 0.000 2.096 325 Q HA -0.235 4.105 4.340 0.000 0.000 0.204 325 Q C 2.195 178.333 176.000 0.230 0.000 0.982 325 Q CA 1.544 57.509 55.803 0.271 0.000 0.850 325 Q CB -0.047 28.844 28.738 0.255 0.000 0.901 325 Q HN 0.387 nan 8.270 nan 0.000 0.422 326 Q N -0.319 119.571 119.800 0.149 0.000 2.030 326 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 326 Q C 2.164 178.212 176.000 0.080 0.000 0.986 326 Q CA 1.990 57.859 55.803 0.109 0.000 0.843 326 Q CB -0.049 28.734 28.738 0.074 0.000 0.904 326 Q HN 0.343 nan 8.270 nan 0.000 0.420 327 T N 0.767 115.360 114.554 0.065 0.000 2.665 327 T HA -0.176 4.174 4.350 0.000 0.000 0.268 327 T C 1.738 176.447 174.700 0.014 0.000 1.035 327 T CA 1.378 63.499 62.100 0.035 0.000 1.151 327 T CB -0.256 68.643 68.868 0.051 0.000 0.862 327 T HN 0.208 nan 8.240 nan 0.000 0.438 328 I N 0.900 121.473 120.570 0.006 0.000 2.361 328 I HA -0.088 4.082 4.170 0.000 0.000 0.251 328 I C 2.707 178.732 176.117 -0.153 0.000 1.133 328 I CA 1.211 62.447 61.300 -0.106 0.000 1.413 328 I CB -0.393 37.483 38.000 -0.208 0.000 1.073 328 I HN 0.308 nan 8.210 nan 0.000 0.424 329 G N -0.108 108.670 108.800 -0.038 0.000 2.430 329 G HA2 -0.101 3.859 3.960 0.000 0.000 0.216 329 G HA3 -0.101 3.859 3.960 0.000 0.000 0.216 329 G C 1.815 176.752 174.900 0.062 0.000 1.146 329 G CA 0.663 45.794 45.100 0.052 0.000 0.793 329 G HN 0.465 nan 8.290 nan 0.000 0.537 330 A N 0.695 123.546 122.820 0.051 0.000 1.897 330 A HA 0.216 4.536 4.320 0.000 0.000 0.215 330 A C 2.176 179.821 177.584 0.102 0.000 1.181 330 A CA 0.821 52.891 52.037 0.055 0.000 0.620 330 A CB -0.297 18.698 19.000 -0.009 0.000 0.821 330 A HN 0.316 nan 8.150 nan 0.000 0.443 331 L N -0.539 120.717 121.223 0.054 0.000 2.599 331 L HA 0.020 4.360 4.340 0.000 0.000 0.230 331 L C 2.289 179.279 176.870 0.199 0.000 1.141 331 L CA 0.383 55.300 54.840 0.128 0.000 0.877 331 L CB -0.355 41.712 42.059 0.014 0.000 1.009 331 L HN 0.472 nan 8.230 nan 0.000 0.447 332 Q N 0.758 120.617 119.800 0.097 0.000 2.112 332 Q HA -0.254 4.086 4.340 0.000 0.000 0.206 332 Q C 1.441 177.386 176.000 -0.092 0.000 0.987 332 Q CA 2.141 57.931 55.803 -0.022 0.000 0.858 332 Q CB 0.143 28.849 28.738 -0.053 0.000 0.905 332 Q HN 0.458 nan 8.270 nan 0.000 0.420 333 D N -0.981 119.376 120.400 -0.073 0.000 2.269 333 D HA -0.099 4.541 4.640 0.000 0.000 0.208 333 D C 0.625 176.680 176.300 -0.408 0.000 0.963 333 D CA 0.796 54.587 54.000 -0.348 0.000 0.864 333 D CB 0.035 40.492 40.800 -0.571 0.000 0.936 333 D HN 0.312 nan 8.370 nan 0.000 0.505 334 F N 0.326 120.223 119.950 -0.089 0.000 2.695 334 F HA 0.087 4.614 4.527 0.000 0.000 0.303 334 F C 2.291 178.057 175.800 -0.056 0.000 1.091 334 F CA 0.061 58.024 58.000 -0.062 0.000 1.300 334 F CB -0.298 38.674 39.000 -0.045 0.000 1.071 334 F HN -0.118 nan 8.300 nan 0.000 0.578 335 T N -2.119 112.474 114.554 0.066 0.000 2.821 335 T HA -0.103 4.247 4.350 0.000 0.000 0.267 335 T C 2.285 176.994 174.700 0.015 0.000 1.046 335 T CA 1.057 63.178 62.100 0.035 0.000 1.139 335 T CB -0.496 68.375 68.868 0.005 0.000 0.871 335 T HN 0.163 nan 8.240 nan 0.000 0.454 336 A N 1.525 124.338 122.820 -0.012 0.000 1.972 336 A HA 0.256 4.576 4.320 0.000 0.000 0.219 336 A C 2.631 180.216 177.584 0.002 0.000 1.169 336 A CA 1.608 53.637 52.037 -0.012 0.000 0.635 336 A CB -1.437 17.543 19.000 -0.034 0.000 0.810 336 A HN 0.644 nan 8.150 nan 0.000 0.446 337 G N -0.944 107.865 108.800 0.015 0.000 2.453 337 G HA2 0.072 4.032 3.960 0.000 0.000 0.215 337 G HA3 0.072 4.032 3.960 0.000 0.000 0.215 337 G C 1.464 176.390 174.900 0.044 0.000 1.147 337 G CA 0.683 45.802 45.100 0.032 0.000 0.802 337 G HN 0.408 nan 8.290 nan 0.000 0.535 338 L N -0.466 120.790 121.223 0.055 0.000 2.307 338 L HA 0.112 4.452 4.340 0.000 0.000 0.211 338 L C 2.980 179.866 176.870 0.027 0.000 1.099 338 L CA 0.336 55.203 54.840 0.045 0.000 0.816 338 L CB -0.156 41.934 42.059 0.052 0.000 0.952 338 L HN 0.217 nan 8.230 nan 0.000 0.455 339 Q N 0.309 120.122 119.800 0.022 0.000 1.990 339 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 339 Q C -0.454 175.555 176.000 0.015 0.000 0.980 339 Q CA 1.465 57.276 55.803 0.013 0.000 0.832 339 Q CB -1.055 27.688 28.738 0.008 0.000 0.897 339 Q HN 0.313 nan 8.270 nan 0.000 0.427 340 P HA -0.187 nan 4.420 nan 0.000 0.218 340 P C 1.266 178.582 177.300 0.026 0.000 1.150 340 P CA 1.320 64.432 63.100 0.020 0.000 0.841 340 P CB -0.006 31.705 31.700 0.018 0.000 0.784 341 V N -1.273 118.655 119.914 0.023 0.000 2.407 341 V HA -0.147 3.973 4.120 0.000 0.000 0.245 341 V C 2.450 178.559 176.094 0.024 0.000 1.041 341 V CA 1.301 63.615 62.300 0.022 0.000 1.040 341 V CB -1.187 30.646 31.823 0.018 0.000 0.671 341 V HN 0.040 nan 8.190 nan 0.000 0.455 342 L N -0.019 121.217 121.223 0.021 0.000 2.083 342 L HA -0.191 4.149 4.340 0.000 0.000 0.209 342 L C 2.736 179.619 176.870 0.022 0.000 1.083 342 L CA 1.767 56.618 54.840 0.020 0.000 0.752 342 L CB -0.613 41.452 42.059 0.011 0.000 0.899 342 L HN 0.276 nan 8.230 nan 0.000 0.433 343 R N -0.150 120.363 120.500 0.022 0.000 2.103 343 R HA -0.215 4.125 4.340 0.000 0.000 0.242 343 R C 2.279 178.604 176.300 0.041 0.000 1.142 343 R CA 1.476 57.589 56.100 0.022 0.000 0.960 343 R CB -0.064 30.247 30.300 0.019 0.000 0.858 343 R HN 0.345 nan 8.270 nan 0.000 0.439 344 Q N -0.053 119.787 119.800 0.067 0.000 2.291 344 Q HA -0.083 4.258 4.340 0.000 0.000 0.206 344 Q C 2.049 178.137 176.000 0.147 0.000 0.976 344 Q CA 0.844 56.730 55.803 0.138 0.000 0.875 344 Q CB -0.011 28.823 28.738 0.160 0.000 0.927 344 Q HN 0.267 nan 8.270 nan 0.000 0.450 345 V N -0.249 119.708 119.914 0.072 0.000 2.667 345 V HA -0.080 4.040 4.120 0.000 0.000 0.252 345 V C 1.385 177.496 176.094 0.029 0.000 1.065 345 V CA 1.327 63.656 62.300 0.049 0.000 1.083 345 V CB -0.889 30.956 31.823 0.036 0.000 0.692 345 V HN 0.587 nan 8.190 nan 0.000 0.468 346 G N 0.440 109.254 108.800 0.023 0.000 2.569 346 G HA2 -0.322 3.638 3.960 0.000 0.000 0.259 346 G HA3 -0.322 3.638 3.960 0.000 0.000 0.259 346 G C -0.101 174.794 174.900 -0.008 0.000 1.263 346 G CA 0.229 45.331 45.100 0.003 0.000 0.928 346 G HN 0.408 nan 8.290 nan 0.000 0.572 347 D N 0.704 121.094 120.400 -0.017 0.000 2.631 347 D HA 0.347 4.987 4.640 0.000 0.000 0.227 347 D C 1.752 178.037 176.300 -0.025 0.000 1.146 347 D CA -0.361 53.628 54.000 -0.018 0.000 1.009 347 D CB 0.274 41.062 40.800 -0.019 0.000 1.057 347 D HN 0.451 nan 8.370 nan 0.000 0.509 348 L N 2.168 123.376 121.223 -0.024 0.000 2.131 348 L HA -0.068 4.272 4.340 0.000 0.000 0.210 348 L C 1.884 178.740 176.870 -0.024 0.000 1.092 348 L CA 1.769 56.586 54.840 -0.039 0.000 0.759 348 L CB -0.341 41.700 42.059 -0.029 0.000 0.903 348 L HN 0.353 nan 8.230 nan 0.000 0.435 349 E N -0.541 119.655 120.200 -0.006 0.000 2.038 349 E HA -0.262 4.088 4.350 0.000 0.000 0.195 349 E C 2.268 178.870 176.600 0.003 0.000 1.000 349 E CA 1.430 57.834 56.400 0.007 0.000 0.803 349 E CB -0.065 29.641 29.700 0.011 0.000 0.750 349 E HN 0.498 nan 8.360 nan 0.000 0.448 350 R N -0.077 120.419 120.500 -0.006 0.000 2.153 350 R HA 0.007 4.347 4.340 0.000 0.000 0.218 350 R C 2.472 178.758 176.300 -0.024 0.000 1.072 350 R CA 0.764 56.860 56.100 -0.008 0.000 0.990 350 R CB -0.115 30.178 30.300 -0.011 0.000 0.889 350 R HN 0.326 nan 8.270 nan 0.000 0.452 351 I N 0.962 121.511 120.570 -0.035 0.000 2.286 351 I HA -0.276 3.895 4.170 0.000 0.000 0.248 351 I C 2.045 178.121 176.117 -0.069 0.000 1.115 351 I CA 1.301 62.570 61.300 -0.052 0.000 1.392 351 I CB -0.130 37.831 38.000 -0.065 0.000 1.065 351 I HN 0.160 nan 8.210 nan 0.000 0.418 352 L N 0.212 121.402 121.223 -0.056 0.000 2.217 352 L HA -0.105 4.235 4.340 0.000 0.000 0.211 352 L C 2.778 179.601 176.870 -0.079 0.000 1.107 352 L CA 0.772 55.575 54.840 -0.061 0.000 0.783 352 L CB -0.619 41.425 42.059 -0.025 0.000 0.919 352 L HN 0.214 nan 8.230 nan 0.000 0.442 353 A N 0.467 123.260 122.820 -0.045 0.000 1.873 353 A HA -0.187 4.133 4.320 0.000 0.000 0.215 353 A C 2.392 179.851 177.584 -0.208 0.000 1.186 353 A CA 1.308 53.303 52.037 -0.071 0.000 0.616 353 A CB -0.385 18.644 19.000 0.049 0.000 0.823 353 A HN 0.291 nan 8.150 nan 0.000 0.442 354 R N -1.124 119.287 120.500 -0.148 0.000 2.096 354 R HA -0.089 4.251 4.340 0.000 0.000 0.235 354 R C 2.096 178.217 176.300 -0.298 0.000 1.127 354 R CA 1.314 57.308 56.100 -0.176 0.000 0.968 354 R CB -0.528 29.714 30.300 -0.095 0.000 0.861 354 R HN 0.499 nan 8.270 nan 0.000 0.440 355 L N 0.703 121.754 121.223 -0.286 0.000 2.042 355 L HA -0.137 4.203 4.340 0.000 0.000 0.210 355 L C 2.196 178.787 176.870 -0.464 0.000 1.076 355 L CA 2.030 56.626 54.840 -0.406 0.000 0.749 355 L CB -0.484 41.446 42.059 -0.214 0.000 0.893 355 L HN 0.118 nan 8.230 nan 0.000 0.432 356 A N -0.942 121.656 122.820 -0.371 0.000 1.968 356 A HA -0.047 4.273 4.320 0.000 0.000 0.217 356 A C 2.142 179.475 177.584 -0.418 0.000 1.169 356 A CA 1.587 53.388 52.037 -0.394 0.000 0.638 356 A CB -0.696 17.989 19.000 -0.525 0.000 0.812 356 A HN 0.497 nan 8.150 nan 0.000 0.446 357 L N -2.117 118.853 121.223 -0.420 0.000 2.509 357 L HA 0.119 4.459 4.340 0.000 0.000 0.222 357 L C 0.807 177.515 176.870 -0.271 0.000 1.123 357 L CA 0.161 54.819 54.840 -0.303 0.000 0.856 357 L CB -0.058 41.859 42.059 -0.237 0.000 0.985 357 L HN 0.376 nan 8.230 nan 0.000 0.456 358 R N -1.262 118.970 120.500 -0.447 0.000 3.776 358 R HA -0.161 4.179 4.340 0.000 0.000 0.312 358 R C 0.592 176.765 176.300 -0.211 0.000 1.181 358 R CA 0.798 56.545 56.100 -0.588 0.000 0.836 358 R CB -2.646 27.512 30.300 -0.236 0.000 1.324 358 R HN 0.234 nan 8.270 nan 0.000 0.501 359 T N -0.910 113.540 114.554 -0.173 0.000 3.069 359 T HA 0.267 4.617 4.350 0.000 0.000 0.252 359 T C 0.777 175.523 174.700 0.076 0.000 1.053 359 T CA 0.494 62.594 62.100 0.000 0.000 0.964 359 T CB 0.539 69.387 68.868 -0.033 0.000 1.005 359 T HN 0.470 nan 8.240 nan 0.000 0.532 360 A N 2.339 125.179 122.820 0.033 0.000 2.522 360 A HA 0.382 4.702 4.320 0.000 0.000 0.256 360 A C 0.548 178.348 177.584 0.360 0.000 1.086 360 A CA -0.102 52.017 52.037 0.136 0.000 0.763 360 A CB 0.038 19.073 19.000 0.059 0.000 1.024 360 A HN 0.376 nan 8.150 nan 0.000 0.502 361 R N 2.967 123.602 120.500 0.225 0.000 2.649 361 R HA 0.284 4.624 4.340 0.000 0.000 0.270 361 R C -1.632 174.819 176.300 0.252 0.000 1.105 361 R CA -1.183 55.039 56.100 0.204 0.000 1.193 361 R CB -0.027 30.322 30.300 0.083 0.000 1.120 361 R HN 0.424 nan 8.270 nan 0.000 0.561 362 P HA -0.180 nan 4.420 nan 0.000 0.216 362 P C 0.497 177.855 177.300 0.096 0.000 1.153 362 P CA 1.541 64.730 63.100 0.149 0.000 0.858 362 P CB 0.189 31.882 31.700 -0.012 0.000 0.789 363 R N -0.949 119.580 120.500 0.048 0.000 2.236 363 R HA -0.046 4.294 4.340 0.000 0.000 0.208 363 R C 1.567 177.875 176.300 0.013 0.000 1.036 363 R CA 0.796 56.906 56.100 0.017 0.000 1.001 363 R CB -0.425 29.872 30.300 -0.005 0.000 0.896 363 R HN 0.271 nan 8.270 nan 0.000 0.464 364 D N 0.819 121.242 120.400 0.037 0.000 2.123 364 D HA -0.116 4.524 4.640 0.000 0.000 0.200 364 D C 1.946 178.248 176.300 0.002 0.000 0.976 364 D CA 0.949 54.958 54.000 0.016 0.000 0.831 364 D CB 0.015 40.836 40.800 0.035 0.000 0.974 364 D HN 0.181 nan 8.370 nan 0.000 0.469 365 L N 0.934 122.187 121.223 0.050 0.000 2.083 365 L HA -0.153 4.187 4.340 0.000 0.000 0.209 365 L C 2.572 179.433 176.870 -0.016 0.000 1.083 365 L CA 0.955 55.806 54.840 0.019 0.000 0.752 365 L CB -0.352 41.743 42.059 0.060 0.000 0.899 365 L HN -0.026 nan 8.230 nan 0.000 0.433 366 A N -0.114 122.709 122.820 0.005 0.000 1.902 366 A HA -0.200 4.120 4.320 0.000 0.000 0.217 366 A C 2.378 179.953 177.584 -0.015 0.000 1.181 366 A CA 1.401 53.437 52.037 -0.001 0.000 0.623 366 A CB -0.415 18.585 19.000 0.000 0.000 0.818 366 A HN 0.306 nan 8.150 nan 0.000 0.443 367 R N -1.557 118.920 120.500 -0.038 0.000 2.153 367 R HA 0.071 4.411 4.340 0.000 0.000 0.218 367 R C 2.247 178.489 176.300 -0.095 0.000 1.072 367 R CA 1.060 57.134 56.100 -0.042 0.000 0.990 367 R CB -0.255 30.013 30.300 -0.053 0.000 0.889 367 R HN 0.662 nan 8.270 nan 0.000 0.452 368 M N 0.345 119.832 119.600 -0.189 0.000 2.077 368 M HA -0.212 4.268 4.480 0.000 0.000 0.261 368 M C 2.356 178.268 176.300 -0.646 0.000 1.070 368 M CA 1.612 56.646 55.300 -0.444 0.000 1.125 368 M CB -0.129 32.216 32.600 -0.425 0.000 1.339 368 M HN -0.009 nan 8.290 nan 0.000 0.409 369 R N -1.064 119.240 120.500 -0.326 0.000 2.112 369 R HA -0.288 4.052 4.340 0.000 0.000 0.242 369 R C 2.127 178.419 176.300 -0.013 0.000 1.137 369 R CA 2.519 58.563 56.100 -0.093 0.000 0.944 369 R CB -0.650 29.667 30.300 0.029 0.000 0.857 369 R HN 0.523 nan 8.270 nan 0.000 0.435 370 H N -0.459 118.560 119.070 -0.085 0.000 2.456 370 H HA -0.002 4.554 4.556 0.000 0.000 0.296 370 H C 1.680 176.990 175.328 -0.031 0.000 1.079 370 H CA 1.648 57.674 56.048 -0.035 0.000 1.322 370 H CB 0.015 29.755 29.762 -0.037 0.000 1.388 370 H HN 0.412 nan 8.280 nan 0.000 0.538 371 A N -0.005 122.791 122.820 -0.040 0.000 1.854 371 A HA -0.098 4.222 4.320 0.000 0.000 0.214 371 A C 1.903 179.525 177.584 0.064 0.000 1.192 371 A CA 1.224 53.234 52.037 -0.045 0.000 0.611 371 A CB -0.892 18.035 19.000 -0.122 0.000 0.832 371 A HN 0.406 nan 8.150 nan 0.000 0.442 372 F N 0.461 120.437 119.950 0.043 0.000 2.192 372 F HA -0.202 4.325 4.527 0.000 0.000 0.301 372 F C 2.518 178.328 175.800 0.016 0.000 1.079 372 F CA 1.429 59.471 58.000 0.070 0.000 1.303 372 F CB -1.043 38.003 39.000 0.078 0.000 1.024 372 F HN 0.357 nan 8.300 nan 0.000 0.494 373 Q N -0.635 119.246 119.800 0.136 0.000 2.435 373 Q HA -0.119 4.221 4.340 0.000 0.000 0.207 373 Q C 1.795 177.771 176.000 -0.039 0.000 0.956 373 Q CA 0.594 56.404 55.803 0.013 0.000 0.917 373 Q CB 0.017 28.704 28.738 -0.086 0.000 0.997 373 Q HN 0.385 nan 8.270 nan 0.000 0.497 374 Q N -0.330 119.451 119.800 -0.031 0.000 2.402 374 Q HA 0.064 4.404 4.340 0.000 0.000 0.206 374 Q C 1.930 177.941 176.000 0.018 0.000 0.919 374 Q CA 0.332 56.119 55.803 -0.027 0.000 0.923 374 Q CB 0.257 28.978 28.738 -0.029 0.000 1.048 374 Q HN 0.407 nan 8.270 nan 0.000 0.515 375 L N 1.084 122.342 121.223 0.059 0.000 2.012 375 L HA -0.170 4.170 4.340 0.000 0.000 0.210 375 L C -0.477 176.401 176.870 0.014 0.000 1.073 375 L CA 1.646 56.520 54.840 0.056 0.000 0.748 375 L CB -1.994 40.122 42.059 0.094 0.000 0.891 375 L HN 0.128 nan 8.230 nan 0.000 0.431 376 P HA -0.201 nan 4.420 nan 0.000 0.216 376 P C 1.351 178.647 177.300 -0.007 0.000 1.150 376 P CA 1.279 64.373 63.100 -0.010 0.000 0.837 376 P CB 0.101 31.796 31.700 -0.009 0.000 0.786 377 E N -0.282 119.916 120.200 -0.002 0.000 2.106 377 E HA -0.115 4.235 4.350 0.000 0.000 0.192 377 E C 1.889 178.492 176.600 0.004 0.000 0.984 377 E CA 1.023 57.424 56.400 0.001 0.000 0.806 377 E CB -1.106 28.594 29.700 0.000 0.000 0.750 377 E HN 0.124 nan 8.360 nan 0.000 0.458 378 L N -0.176 121.049 121.223 0.004 0.000 2.072 378 L HA -0.056 4.284 4.340 0.000 0.000 0.205 378 L C 2.709 179.573 176.870 -0.011 0.000 1.079 378 L CA 1.138 55.979 54.840 0.002 0.000 0.752 378 L CB -0.330 41.734 42.059 0.009 0.000 0.906 378 L HN 0.101 nan 8.230 nan 0.000 0.436 379 R N -0.116 120.375 120.500 -0.015 0.000 2.081 379 R HA -0.157 4.183 4.340 0.000 0.000 0.235 379 R C 2.384 178.668 176.300 -0.026 0.000 1.131 379 R CA 1.471 57.554 56.100 -0.028 0.000 0.960 379 R CB -0.373 29.906 30.300 -0.035 0.000 0.856 379 R HN 0.353 nan 8.270 nan 0.000 0.436 380 A N 0.514 123.325 122.820 -0.015 0.000 1.929 380 A HA -0.150 4.170 4.320 0.000 0.000 0.216 380 A C 1.971 179.555 177.584 0.000 0.000 1.176 380 A CA 0.955 52.988 52.037 -0.007 0.000 0.628 380 A CB -0.256 18.744 19.000 -0.000 0.000 0.816 380 A HN 0.290 nan 8.150 nan 0.000 0.444 381 Q N -0.745 119.058 119.800 0.006 0.000 2.167 381 Q HA 0.019 4.359 4.340 0.000 0.000 0.202 381 Q C 1.673 177.653 176.000 -0.033 0.000 0.970 381 Q CA 0.951 56.770 55.803 0.027 0.000 0.855 381 Q CB -0.110 28.655 28.738 0.044 0.000 0.911 381 Q HN 0.670 nan 8.270 nan 0.000 0.438 382 L N -0.176 121.005 121.223 -0.071 0.000 2.529 382 L HA 0.009 4.349 4.340 0.000 0.000 0.223 382 L C 2.082 178.877 176.870 -0.125 0.000 1.113 382 L CA 0.118 54.876 54.840 -0.137 0.000 0.861 382 L CB -0.057 41.942 42.059 -0.101 0.000 1.012 382 L HN 0.206 nan 8.230 nan 0.000 0.461 383 E N 0.447 120.603 120.200 -0.074 0.000 2.031 383 E HA -0.252 4.098 4.350 0.000 0.000 0.193 383 E C 2.161 178.726 176.600 -0.059 0.000 0.994 383 E CA 2.088 58.455 56.400 -0.055 0.000 0.800 383 E CB 0.046 29.728 29.700 -0.029 0.000 0.752 383 E HN 0.435 nan 8.360 nan 0.000 0.447 384 T N -0.541 113.989 114.554 -0.040 0.000 2.721 384 T HA -0.148 4.202 4.350 0.000 0.000 0.268 384 T C 1.038 175.701 174.700 -0.062 0.000 1.038 384 T CA 0.938 63.035 62.100 -0.005 0.000 1.145 384 T CB -0.420 68.508 68.868 0.100 0.000 0.858 384 T HN -0.088 nan 8.240 nan 0.000 0.459 385 V N 3.517 123.300 119.914 -0.219 0.000 2.381 385 V HA 0.169 4.289 4.120 0.000 0.000 0.257 385 V C 0.447 176.448 176.094 -0.156 0.000 1.057 385 V CA -0.603 61.500 62.300 -0.328 0.000 1.013 385 V CB 0.370 31.833 31.823 -0.600 0.000 1.069 385 V HN 0.479 nan 8.190 nan 0.000 0.484 386 D N 4.430 124.785 120.400 -0.074 0.000 2.348 386 D HA 0.163 4.803 4.640 0.000 0.000 0.259 386 D C -0.106 176.173 176.300 -0.035 0.000 1.296 386 D CA 0.504 54.481 54.000 -0.038 0.000 0.931 386 D CB 0.794 41.591 40.800 -0.005 0.000 1.067 386 D HN 0.604 nan 8.370 nan 0.000 0.503 387 S N 2.536 118.212 115.700 -0.041 0.000 2.584 387 S HA 0.415 4.885 4.470 0.000 0.000 0.282 387 S C 0.589 175.176 174.600 -0.022 0.000 1.138 387 S CA -0.088 58.097 58.200 -0.025 0.000 0.987 387 S CB 0.867 64.047 63.200 -0.033 0.000 1.137 387 S HN 0.366 nan 8.310 nan 0.000 0.457 388 A N 6.106 128.921 122.820 -0.008 0.000 1.908 388 A HA 0.120 4.440 4.320 0.000 0.000 0.218 388 A C -0.713 176.868 177.584 -0.004 0.000 1.181 388 A CA 1.827 53.860 52.037 -0.007 0.000 0.627 388 A CB -1.689 17.311 19.000 0.000 0.000 0.818 388 A HN 0.662 nan 8.150 nan 0.000 0.445 389 P HA -0.086 nan 4.420 nan 0.000 0.217 389 P C 1.601 178.903 177.300 0.004 0.000 1.150 389 P CA 1.088 64.194 63.100 0.011 0.000 0.832 389 P CB -0.133 31.581 31.700 0.023 0.000 0.787 390 V N -0.041 119.865 119.914 -0.013 0.000 2.343 390 V HA -0.239 3.881 4.120 0.000 0.000 0.247 390 V C 2.487 178.559 176.094 -0.037 0.000 1.051 390 V CA 1.713 63.992 62.300 -0.034 0.000 1.036 390 V CB -1.079 30.698 31.823 -0.077 0.000 0.654 390 V HN 0.141 nan 8.190 nan 0.000 0.451 391 Q N -0.280 119.497 119.800 -0.037 0.000 2.167 391 Q HA -0.052 4.289 4.340 0.000 0.000 0.202 391 Q C 2.369 178.355 176.000 -0.022 0.000 0.970 391 Q CA 1.647 57.429 55.803 -0.035 0.000 0.855 391 Q CB -0.581 28.137 28.738 -0.032 0.000 0.911 391 Q HN 0.660 nan 8.270 nan 0.000 0.438 392 A N 0.511 123.325 122.820 -0.010 0.000 1.968 392 A HA -0.063 4.257 4.320 0.000 0.000 0.217 392 A C 2.181 179.768 177.584 0.006 0.000 1.169 392 A CA 0.731 52.768 52.037 -0.001 0.000 0.638 392 A CB -0.460 18.545 19.000 0.007 0.000 0.812 392 A HN 0.291 nan 8.150 nan 0.000 0.446 393 L N -1.370 119.858 121.223 0.008 0.000 2.109 393 L HA -0.074 4.266 4.340 0.000 0.000 0.207 393 L C 2.716 179.589 176.870 0.004 0.000 1.086 393 L CA 1.257 56.108 54.840 0.017 0.000 0.760 393 L CB -0.437 41.636 42.059 0.024 0.000 0.910 393 L HN 0.401 nan 8.230 nan 0.000 0.437 394 R N 0.352 120.844 120.500 -0.014 0.000 2.091 394 R HA -0.248 4.092 4.340 0.000 0.000 0.238 394 R C 2.245 178.526 176.300 -0.032 0.000 1.136 394 R CA 1.879 57.964 56.100 -0.026 0.000 0.959 394 R CB -0.006 30.270 30.300 -0.040 0.000 0.856 394 R HN 0.200 nan 8.270 nan 0.000 0.437 395 E N 0.649 120.832 120.200 -0.029 0.000 2.072 395 E HA -0.186 4.164 4.350 0.000 0.000 0.191 395 E C 1.731 178.311 176.600 -0.034 0.000 0.985 395 E CA 1.609 57.986 56.400 -0.038 0.000 0.801 395 E CB -0.007 29.677 29.700 -0.027 0.000 0.750 395 E HN 0.204 nan 8.360 nan 0.000 0.452 396 K N -0.341 120.056 120.400 -0.004 0.000 2.211 396 K HA -0.040 4.280 4.320 0.000 0.000 0.203 396 K C 2.146 178.770 176.600 0.039 0.000 1.050 396 K CA 1.187 57.488 56.287 0.023 0.000 0.945 396 K CB -0.180 32.346 32.500 0.042 0.000 0.732 396 K HN 0.236 nan 8.250 nan 0.000 0.451 397 M N 0.142 119.758 119.600 0.026 0.000 2.279 397 M HA -0.059 4.421 4.480 0.000 0.000 0.264 397 M C 0.720 177.024 176.300 0.008 0.000 1.062 397 M CA 1.658 56.990 55.300 0.054 0.000 1.099 397 M CB -0.414 32.207 32.600 0.035 0.000 1.394 397 M HN 0.352 nan 8.290 nan 0.000 0.426 398 G N 0.406 109.121 108.800 -0.141 0.000 2.593 398 G HA2 -0.328 3.632 3.960 0.000 0.000 0.237 398 G HA3 -0.328 3.632 3.960 0.000 0.000 0.237 398 G C -0.027 174.596 174.900 -0.463 0.000 1.312 398 G CA 0.280 45.109 45.100 -0.452 0.000 0.896 398 G HN 0.544 nan 8.290 nan 0.000 0.574 399 E N -2.948 116.755 120.200 -0.829 0.000 3.151 399 E HA 0.288 4.638 4.350 0.000 0.000 0.246 399 E C 0.246 176.603 176.600 -0.404 0.000 1.150 399 E CA 0.321 56.463 56.400 -0.430 0.000 1.806 399 E CB 0.343 29.867 29.700 -0.292 0.000 2.295 399 E HN 1.055 nan 8.360 nan 0.000 1.000 400 F N -0.061 119.716 119.950 -0.287 0.000 3.071 400 F HA -0.253 4.274 4.527 0.000 0.000 0.295 400 F C 0.907 176.425 175.800 -0.469 0.000 0.919 400 F CA 0.532 58.230 58.000 -0.502 0.000 1.050 400 F CB -2.108 36.316 39.000 -0.961 0.000 1.040 400 F HN 0.239 nan 8.300 nan 0.000 0.692 401 A N -0.512 122.204 122.820 -0.172 0.000 1.940 401 A HA -0.204 4.116 4.320 0.000 0.000 0.219 401 A C 2.193 179.720 177.584 -0.095 0.000 1.176 401 A CA 1.953 53.924 52.037 -0.110 0.000 0.631 401 A CB -0.295 18.656 19.000 -0.083 0.000 0.814 401 A HN 0.633 nan 8.150 nan 0.000 0.446 402 E N -0.188 119.947 120.200 -0.109 0.000 2.077 402 E HA -0.146 4.204 4.350 0.000 0.000 0.193 402 E C 1.949 178.502 176.600 -0.079 0.000 0.989 402 E CA 1.249 57.601 56.400 -0.080 0.000 0.800 402 E CB -0.285 29.360 29.700 -0.090 0.000 0.746 402 E HN 0.684 nan 8.360 nan 0.000 0.452 403 L N 0.326 121.450 121.223 -0.164 0.000 2.156 403 L HA -0.062 4.278 4.340 0.000 0.000 0.208 403 L C 2.738 179.608 176.870 -0.001 0.000 1.095 403 L CA 0.624 55.386 54.840 -0.130 0.000 0.770 403 L CB -0.419 41.455 42.059 -0.309 0.000 0.914 403 L HN 0.051 nan 8.230 nan 0.000 0.439 404 R N 0.736 121.197 120.500 -0.064 0.000 2.073 404 R HA -0.219 4.121 4.340 0.000 0.000 0.234 404 R C 1.927 178.296 176.300 0.115 0.000 1.134 404 R CA 2.184 58.386 56.100 0.171 0.000 0.952 404 R CB -0.176 30.193 30.300 0.116 0.000 0.850 404 R HN 0.249 nan 8.270 nan 0.000 0.433 405 D N 0.192 120.623 120.400 0.051 0.000 2.117 405 D HA -0.181 4.459 4.640 0.000 0.000 0.197 405 D C 1.928 178.264 176.300 0.061 0.000 0.987 405 D CA 0.888 54.918 54.000 0.050 0.000 0.829 405 D CB -0.052 40.768 40.800 0.032 0.000 0.961 405 D HN 0.193 nan 8.370 nan 0.000 0.460 406 L N 0.228 121.489 121.223 0.063 0.000 2.012 406 L HA -0.110 4.230 4.340 0.000 0.000 0.210 406 L C 1.974 178.856 176.870 0.020 0.000 1.073 406 L CA 1.710 56.593 54.840 0.071 0.000 0.748 406 L CB -0.620 41.486 42.059 0.077 0.000 0.891 406 L HN 0.189 nan 8.230 nan 0.000 0.431 407 L N -1.105 120.147 121.223 0.047 0.000 2.313 407 L HA -0.076 4.264 4.340 0.000 0.000 0.214 407 L C 2.414 179.285 176.870 0.002 0.000 1.119 407 L CA 0.738 55.585 54.840 0.012 0.000 0.809 407 L CB -0.481 41.624 42.059 0.078 0.000 0.933 407 L HN 0.340 nan 8.230 nan 0.000 0.449 408 E N 0.210 120.432 120.200 0.037 0.000 2.106 408 E HA -0.150 4.200 4.350 0.000 0.000 0.192 408 E C 2.266 178.875 176.600 0.015 0.000 0.984 408 E CA 0.850 57.271 56.400 0.035 0.000 0.806 408 E CB 0.180 29.912 29.700 0.052 0.000 0.750 408 E HN 0.384 nan 8.360 nan 0.000 0.458 409 R N -0.461 120.047 120.500 0.012 0.000 2.173 409 R HA 0.127 4.467 4.340 0.000 0.000 0.208 409 R C 2.055 178.309 176.300 -0.077 0.000 1.035 409 R CA 0.764 56.885 56.100 0.035 0.000 1.004 409 R CB 0.175 30.552 30.300 0.128 0.000 0.917 409 R HN 0.035 nan 8.270 nan 0.000 0.462 410 A N 0.840 123.483 122.820 -0.294 0.000 1.943 410 A HA 0.179 4.499 4.320 0.000 0.000 0.213 410 A C 1.004 178.368 177.584 -0.367 0.000 1.181 410 A CA 0.568 52.144 52.037 -0.769 0.000 0.653 410 A CB 0.286 18.754 19.000 -0.887 0.000 0.833 410 A HN 0.059 nan 8.150 nan 0.000 0.451 411 I N 0.623 121.091 120.570 -0.171 0.000 2.569 411 I HA 0.355 4.525 4.170 0.000 0.000 0.296 411 I C -0.241 175.859 176.117 -0.028 0.000 1.028 411 I CA -1.181 60.076 61.300 -0.071 0.000 1.082 411 I CB 2.011 39.993 38.000 -0.031 0.000 1.264 411 I HN 0.376 nan 8.210 nan 0.000 0.429 412 I N 0.365 120.929 120.570 -0.011 0.000 3.138 412 I HA 0.210 4.380 4.170 0.000 0.000 0.288 412 I C 0.840 176.961 176.117 0.006 0.000 1.148 412 I CA -0.131 61.170 61.300 0.001 0.000 1.315 412 I CB 0.387 38.389 38.000 0.003 0.000 1.426 412 I HN 0.499 nan 8.210 nan 0.000 0.615 413 D N 1.336 121.742 120.400 0.010 0.000 2.104 413 D HA -0.121 4.519 4.640 0.000 0.000 0.194 413 D C 0.868 177.172 176.300 0.007 0.000 0.994 413 D CA 2.294 56.303 54.000 0.015 0.000 0.830 413 D CB -0.306 40.505 40.800 0.017 0.000 0.959 413 D HN 0.850 nan 8.370 nan 0.000 0.452 414 T N -0.356 114.197 114.554 -0.001 0.000 3.077 414 T HA 0.432 4.782 4.350 0.000 0.000 0.359 414 T C -2.737 171.956 174.700 -0.012 0.000 1.108 414 T CA -1.576 60.518 62.100 -0.010 0.000 1.170 414 T CB 2.412 71.271 68.868 -0.015 0.000 1.045 414 T HN -0.176 nan 8.240 nan 0.000 0.505 415 P HA 0.476 nan 4.420 nan 0.000 0.276 415 P C -2.552 174.733 177.300 -0.025 0.000 1.261 415 P CA -1.548 61.541 63.100 -0.017 0.000 0.800 415 P CB 0.164 31.857 31.700 -0.012 0.000 1.066 416 P HA 0.065 nan 4.420 nan 0.000 0.277 416 P C 1.041 178.317 177.300 -0.040 0.000 1.271 416 P CA -0.297 62.781 63.100 -0.036 0.000 0.795 416 P CB 0.619 32.294 31.700 -0.042 0.000 1.101 417 V N -0.507 119.386 119.914 -0.035 0.000 2.490 417 V HA -0.137 3.983 4.120 0.000 0.000 0.250 417 V C 1.327 177.399 176.094 -0.037 0.000 1.061 417 V CA 1.711 63.994 62.300 -0.029 0.000 1.064 417 V CB -0.875 30.934 31.823 -0.024 0.000 0.670 417 V HN 0.340 nan 8.190 nan 0.000 0.461 418 L N -1.946 119.243 121.223 -0.057 0.000 2.309 418 L HA 0.414 4.754 4.340 0.000 0.000 0.261 418 L C 0.740 177.522 176.870 -0.146 0.000 1.021 418 L CA -0.529 54.263 54.840 -0.080 0.000 0.823 418 L CB 2.065 44.097 42.059 -0.045 0.000 1.366 418 L HN -0.184 nan 8.230 nan 0.000 0.423 419 V N -1.144 118.637 119.914 -0.221 0.000 3.235 419 V HA 0.017 4.137 4.120 0.000 0.000 0.259 419 V C 2.221 178.214 176.094 -0.168 0.000 1.133 419 V CA 0.528 62.644 62.300 -0.307 0.000 1.128 419 V CB -0.782 30.715 31.823 -0.543 0.000 0.757 419 V HN 0.833 nan 8.190 nan 0.000 0.469 420 R N 1.456 121.897 120.500 -0.098 0.000 2.119 420 R HA -0.227 4.113 4.340 0.000 0.000 0.246 420 R C 1.078 177.350 176.300 -0.047 0.000 1.146 420 R CA 2.317 58.390 56.100 -0.045 0.000 0.962 420 R CB -0.194 30.109 30.300 0.005 0.000 0.863 420 R HN 0.578 nan 8.270 nan 0.000 0.442 421 D N -0.547 119.820 120.400 -0.054 0.000 2.463 421 D HA 0.181 4.821 4.640 0.000 0.000 0.224 421 D C 0.788 177.055 176.300 -0.055 0.000 1.174 421 D CA 0.687 54.658 54.000 -0.047 0.000 0.829 421 D CB 0.680 41.456 40.800 -0.039 0.000 0.993 421 D HN 0.490 nan 8.370 nan 0.000 0.497 422 G N 1.061 109.818 108.800 -0.072 0.000 2.645 422 G HA2 -0.089 3.871 3.960 0.000 0.000 0.239 422 G HA3 -0.089 3.871 3.960 0.000 0.000 0.239 422 G C 0.739 175.603 174.900 -0.060 0.000 1.331 422 G CA 0.038 45.099 45.100 -0.065 0.000 0.890 422 G HN 0.805 nan 8.290 nan 0.000 0.572 423 G N -2.916 105.861 108.800 -0.038 0.000 2.246 423 G HA2 0.084 4.044 3.960 0.000 0.000 0.273 423 G HA3 0.084 4.044 3.960 0.000 0.000 0.273 423 G C 0.856 175.736 174.900 -0.034 0.000 1.055 423 G CA 1.327 46.410 45.100 -0.027 0.000 0.851 423 G HN 1.864 nan 8.290 nan 0.000 0.500 424 V N -0.239 119.652 119.914 -0.039 0.000 3.029 424 V HA 0.318 4.438 4.120 0.000 0.000 0.230 424 V C 1.578 177.666 176.094 -0.009 0.000 1.254 424 V CA 0.510 62.786 62.300 -0.040 0.000 1.276 424 V CB -0.032 31.729 31.823 -0.103 0.000 1.080 424 V HN 0.338 nan 8.190 nan 0.000 0.495 425 I N 1.530 122.104 120.570 0.007 0.000 2.696 425 I HA 0.393 4.563 4.170 0.000 0.000 0.284 425 I C 0.512 176.649 176.117 0.033 0.000 1.129 425 I CA 0.373 61.684 61.300 0.019 0.000 1.410 425 I CB 0.505 38.557 38.000 0.086 0.000 1.399 425 I HN 0.259 nan 8.210 nan 0.000 0.579 426 A N 4.871 127.710 122.820 0.032 0.000 2.288 426 A HA 0.609 4.929 4.320 0.000 0.000 0.328 426 A C 0.182 177.822 177.584 0.093 0.000 1.123 426 A CA -0.492 51.573 52.037 0.048 0.000 0.861 426 A CB 0.552 19.567 19.000 0.024 0.000 1.272 426 A HN 0.680 nan 8.150 nan 0.000 0.490 427 S N -0.436 115.308 115.700 0.072 0.000 2.549 427 S HA 0.423 4.893 4.470 0.000 0.000 0.286 427 S C 1.328 175.982 174.600 0.091 0.000 1.314 427 S CA 0.913 59.157 58.200 0.074 0.000 1.062 427 S CB 0.624 63.854 63.200 0.050 0.000 0.865 427 S HN 2.178 nan 8.310 nan 0.000 0.498 428 G N 1.611 110.465 108.800 0.089 0.000 2.241 428 G HA2 -0.334 3.626 3.960 0.000 0.000 0.244 428 G HA3 -0.334 3.626 3.960 0.000 0.000 0.244 428 G C 0.623 175.594 174.900 0.118 0.000 0.998 428 G CA 0.444 45.594 45.100 0.083 0.000 0.621 428 G HN 0.718 nan 8.290 nan 0.000 0.519 429 Y N 1.691 122.005 120.300 0.024 0.000 2.220 429 Y HA 0.249 4.799 4.550 0.000 0.000 0.291 429 Y C 1.083 176.998 175.900 0.025 0.000 1.129 429 Y CA 1.712 59.827 58.100 0.025 0.000 1.161 429 Y CB 0.343 38.821 38.460 0.030 0.000 0.997 429 Y HN 0.316 nan 8.280 nan 0.000 0.522 430 N N 0.329 119.008 118.700 -0.035 0.000 2.480 430 N HA 0.042 4.782 4.740 0.000 0.000 0.289 430 N C 0.279 175.784 175.510 -0.010 0.000 1.073 430 N CA 0.131 53.120 53.050 -0.101 0.000 0.885 430 N CB 1.308 39.758 38.487 -0.063 0.000 1.421 430 N HN 0.511 nan 8.380 nan 0.000 0.503 431 E N 2.084 122.265 120.200 -0.032 0.000 2.208 431 E HA -0.181 4.169 4.350 0.000 0.000 0.193 431 E C 0.909 177.494 176.600 -0.026 0.000 0.988 431 E CA 0.895 57.281 56.400 -0.023 0.000 0.828 431 E CB 0.061 29.738 29.700 -0.038 0.000 0.763 431 E HN 0.695 nan 8.360 nan 0.000 0.478 432 E N 0.733 120.926 120.200 -0.011 0.000 2.110 432 E HA -0.189 4.161 4.350 0.000 0.000 0.193 432 E C 2.139 178.801 176.600 0.103 0.000 0.988 432 E CA 0.746 57.144 56.400 -0.003 0.000 0.804 432 E CB -0.001 29.744 29.700 0.075 0.000 0.745 432 E HN 0.280 nan 8.360 nan 0.000 0.458 433 L N 1.299 122.613 121.223 0.152 0.000 2.056 433 L HA -0.143 4.197 4.340 0.000 0.000 0.207 433 L C 1.565 178.524 176.870 0.149 0.000 1.078 433 L CA 1.814 56.780 54.840 0.209 0.000 0.749 433 L CB -0.205 41.948 42.059 0.157 0.000 0.901 433 L HN 0.057 nan 8.230 nan 0.000 0.433 434 D N -0.581 119.864 120.400 0.075 0.000 2.218 434 D HA -0.214 4.426 4.640 0.000 0.000 0.204 434 D C 1.948 178.255 176.300 0.012 0.000 0.976 434 D CA 1.093 55.120 54.000 0.045 0.000 0.853 434 D CB 0.055 40.869 40.800 0.024 0.000 0.939 434 D HN 0.569 nan 8.370 nan 0.000 0.481 435 E N -0.445 119.727 120.200 -0.047 0.000 2.112 435 E HA -0.119 4.231 4.350 0.000 0.000 0.190 435 E C 1.876 178.397 176.600 -0.131 0.000 0.979 435 E CA 0.502 56.812 56.400 -0.149 0.000 0.814 435 E CB -0.040 29.485 29.700 -0.292 0.000 0.762 435 E HN 0.364 nan 8.360 nan 0.000 0.460 436 W N 0.788 122.075 121.300 -0.022 0.000 2.418 436 W HA -0.012 4.648 4.660 0.000 0.000 0.292 436 W C 2.683 179.182 176.519 -0.033 0.000 1.213 436 W CA 0.480 57.807 57.345 -0.030 0.000 1.283 436 W CB 0.054 29.498 29.460 -0.026 0.000 1.119 436 W HN 0.039 nan 8.180 nan 0.000 0.542 437 R N 0.375 120.996 120.500 0.202 0.000 2.119 437 R HA -0.042 4.298 4.340 0.000 0.000 0.222 437 R C 2.187 178.527 176.300 0.066 0.000 1.088 437 R CA 1.294 57.460 56.100 0.111 0.000 0.984 437 R CB -0.370 29.982 30.300 0.087 0.000 0.884 437 R HN 0.088 nan 8.270 nan 0.000 0.447 438 A N 0.391 123.240 122.820 0.048 0.000 2.014 438 A HA -0.063 4.258 4.320 0.000 0.000 0.218 438 A C 1.750 179.344 177.584 0.016 0.000 1.163 438 A CA 0.740 52.790 52.037 0.022 0.000 0.652 438 A CB -0.131 18.868 19.000 -0.002 0.000 0.808 438 A HN 0.192 nan 8.150 nan 0.000 0.449 439 L N -0.723 120.512 121.223 0.020 0.000 2.109 439 L HA 0.052 4.392 4.340 0.000 0.000 0.207 439 L C 2.380 179.242 176.870 -0.013 0.000 1.086 439 L CA 1.506 56.347 54.840 0.003 0.000 0.760 439 L CB -0.960 41.114 42.059 0.026 0.000 0.910 439 L HN 0.357 nan 8.230 nan 0.000 0.437 440 A N -1.479 121.348 122.820 0.011 0.000 2.416 440 A HA 0.086 4.406 4.320 0.000 0.000 0.252 440 A C 0.358 177.952 177.584 0.017 0.000 1.353 440 A CA 0.253 52.280 52.037 -0.015 0.000 0.996 440 A CB -0.643 18.352 19.000 -0.008 0.000 0.961 440 A HN 0.249 nan 8.150 nan 0.000 0.523 441 D N -0.881 119.542 120.400 0.037 0.000 2.908 441 D HA 0.150 4.790 4.640 0.000 0.000 0.361 441 D C 1.191 177.546 176.300 0.092 0.000 1.416 441 D CA 0.434 54.470 54.000 0.060 0.000 0.796 441 D CB 0.542 41.368 40.800 0.043 0.000 1.185 441 D HN 0.352 nan 8.370 nan 0.000 0.451 442 G N 0.157 109.045 108.800 0.147 0.000 2.880 442 G HA2 0.081 4.041 3.960 0.000 0.000 0.209 442 G HA3 0.081 4.041 3.960 0.000 0.000 0.209 442 G C 1.569 176.625 174.900 0.260 0.000 1.157 442 G CA 0.659 45.904 45.100 0.242 0.000 0.779 442 G HN 0.288 nan 8.290 nan 0.000 0.539 443 A N 1.330 124.285 122.820 0.226 0.000 1.917 443 A HA -0.109 4.211 4.320 0.000 0.000 0.219 443 A C 2.612 180.268 177.584 0.121 0.000 1.182 443 A CA 2.730 54.881 52.037 0.191 0.000 0.633 443 A CB -1.093 17.979 19.000 0.121 0.000 0.819 443 A HN 0.484 nan 8.150 nan 0.000 0.448 444 T N -0.063 114.545 114.554 0.090 0.000 2.558 444 T HA -0.165 4.185 4.350 0.000 0.000 0.247 444 T C 1.540 176.271 174.700 0.052 0.000 1.146 444 T CA 1.522 63.657 62.100 0.059 0.000 1.289 444 T CB -0.998 67.898 68.868 0.046 0.000 0.905 444 T HN 0.556 nan 8.240 nan 0.000 0.397 445 D N 0.657 121.091 120.400 0.055 0.000 2.077 445 D HA -0.187 4.453 4.640 0.000 0.000 0.193 445 D C 2.154 178.463 176.300 0.015 0.000 0.989 445 D CA 1.679 55.699 54.000 0.033 0.000 0.831 445 D CB -1.303 39.521 40.800 0.040 0.000 0.979 445 D HN 0.569 nan 8.370 nan 0.000 0.449 446 Y N 1.182 121.438 120.300 -0.074 0.000 2.081 446 Y HA -0.179 4.371 4.550 0.000 0.000 0.280 446 Y C 2.302 178.058 175.900 -0.240 0.000 1.163 446 Y CA 1.689 59.690 58.100 -0.164 0.000 1.135 446 Y CB -0.471 37.848 38.460 -0.236 0.000 0.970 446 Y HN -0.034 nan 8.280 nan 0.000 0.498 447 L N 0.159 121.290 121.223 -0.152 0.000 2.131 447 L HA -0.186 4.154 4.340 0.000 0.000 0.210 447 L C 2.658 179.393 176.870 -0.224 0.000 1.092 447 L CA 1.667 56.369 54.840 -0.229 0.000 0.759 447 L CB -0.534 41.514 42.059 -0.019 0.000 0.903 447 L HN 0.331 nan 8.230 nan 0.000 0.435 448 E N 0.280 120.393 120.200 -0.145 0.000 2.112 448 E HA -0.156 4.194 4.350 0.000 0.000 0.190 448 E C 2.299 178.813 176.600 -0.142 0.000 0.979 448 E CA 0.705 57.042 56.400 -0.105 0.000 0.814 448 E CB 0.200 29.869 29.700 -0.052 0.000 0.762 448 E HN 0.407 nan 8.360 nan 0.000 0.460 449 R N 0.188 120.570 120.500 -0.197 0.000 2.148 449 R HA -0.108 4.232 4.340 0.000 0.000 0.227 449 R C 2.413 178.568 176.300 -0.242 0.000 1.103 449 R CA 0.610 56.595 56.100 -0.192 0.000 0.983 449 R CB -0.138 30.050 30.300 -0.187 0.000 0.874 449 R HN 0.113 nan 8.270 nan 0.000 0.451 450 L N 1.144 122.137 121.223 -0.382 0.000 2.109 450 L HA -0.086 4.254 4.340 0.000 0.000 0.207 450 L C 2.062 178.824 176.870 -0.180 0.000 1.086 450 L CA 1.768 56.397 54.840 -0.352 0.000 0.760 450 L CB -0.390 41.335 42.059 -0.556 0.000 0.910 450 L HN 0.110 nan 8.230 nan 0.000 0.437 451 E N -0.668 119.443 120.200 -0.147 0.000 2.023 451 E HA -0.212 4.139 4.350 0.000 0.000 0.196 451 E C 2.078 178.651 176.600 -0.044 0.000 1.003 451 E CA 2.102 58.463 56.400 -0.065 0.000 0.809 451 E CB -0.164 29.508 29.700 -0.046 0.000 0.755 451 E HN 0.349 nan 8.360 nan 0.000 0.449 452 V N 1.303 121.183 119.914 -0.057 0.000 2.252 452 V HA -0.320 3.801 4.120 0.000 0.000 0.249 452 V C 2.688 178.759 176.094 -0.038 0.000 1.056 452 V CA 2.402 64.677 62.300 -0.041 0.000 1.022 452 V CB -0.692 31.103 31.823 -0.046 0.000 0.641 452 V HN 0.347 nan 8.190 nan 0.000 0.445 453 R N -0.229 120.236 120.500 -0.058 0.000 2.096 453 R HA -0.211 4.129 4.340 0.000 0.000 0.240 453 R C 2.252 178.538 176.300 -0.023 0.000 1.139 453 R CA 2.001 58.072 56.100 -0.048 0.000 0.952 453 R CB -0.205 30.051 30.300 -0.074 0.000 0.854 453 R HN 0.490 nan 8.270 nan 0.000 0.436 454 E N -0.009 120.185 120.200 -0.010 0.000 2.158 454 E HA -0.143 4.207 4.350 0.000 0.000 0.191 454 E C 1.944 178.568 176.600 0.039 0.000 0.982 454 E CA 0.631 57.055 56.400 0.041 0.000 0.823 454 E CB -0.137 29.617 29.700 0.091 0.000 0.766 454 E HN 0.365 nan 8.360 nan 0.000 0.468 455 R N 1.143 121.656 120.500 0.023 0.000 2.092 455 R HA -0.109 4.231 4.340 0.000 0.000 0.231 455 R C 1.858 178.157 176.300 -0.002 0.000 1.119 455 R CA 1.338 57.448 56.100 0.017 0.000 0.970 455 R CB 0.156 30.465 30.300 0.014 0.000 0.864 455 R HN 0.123 nan 8.270 nan 0.000 0.440 456 E N -0.423 119.772 120.200 -0.009 0.000 2.122 456 E HA -0.145 4.205 4.350 0.000 0.000 0.190 456 E C 2.060 178.647 176.600 -0.021 0.000 0.977 456 E CA 0.532 56.923 56.400 -0.016 0.000 0.820 456 E CB -0.017 29.672 29.700 -0.017 0.000 0.770 456 E HN 0.266 nan 8.360 nan 0.000 0.462 457 R N 0.961 121.449 120.500 -0.020 0.000 2.073 457 R HA -0.128 4.212 4.340 0.000 0.000 0.234 457 R C 2.459 178.731 176.300 -0.047 0.000 1.134 457 R CA 2.138 58.221 56.100 -0.028 0.000 0.952 457 R CB -0.294 29.995 30.300 -0.018 0.000 0.850 457 R HN 0.208 nan 8.270 nan 0.000 0.433 458 T N -3.486 111.035 114.554 -0.055 0.000 2.942 458 T HA 0.122 4.472 4.350 0.000 0.000 0.265 458 T C 1.524 176.176 174.700 -0.080 0.000 1.062 458 T CA 0.886 62.927 62.100 -0.098 0.000 1.139 458 T CB -0.032 68.758 68.868 -0.129 0.000 0.883 458 T HN 0.496 nan 8.240 nan 0.000 0.468 459 G N 1.288 110.058 108.800 -0.050 0.000 2.157 459 G HA2 -0.192 3.768 3.960 0.000 0.000 0.248 459 G HA3 -0.192 3.768 3.960 0.000 0.000 0.248 459 G C -0.007 174.871 174.900 -0.036 0.000 0.979 459 G CA 0.105 45.180 45.100 -0.041 0.000 0.650 459 G HN 0.633 nan 8.290 nan 0.000 0.529 460 L N 2.144 123.347 121.223 -0.034 0.000 2.288 460 L HA 0.296 4.636 4.340 0.000 0.000 0.283 460 L C 1.387 178.261 176.870 0.007 0.000 1.072 460 L CA -0.240 54.588 54.840 -0.021 0.000 0.862 460 L CB 0.851 42.891 42.059 -0.031 0.000 1.245 460 L HN 0.297 nan 8.230 nan 0.000 0.432 461 D N -0.065 120.340 120.400 0.007 0.000 2.378 461 D HA -0.172 4.468 4.640 0.000 0.000 0.222 461 D C 1.484 177.800 176.300 0.028 0.000 0.980 461 D CA 1.151 55.160 54.000 0.015 0.000 0.907 461 D CB -0.089 40.717 40.800 0.010 0.000 0.899 461 D HN 0.552 nan 8.370 nan 0.000 0.527 462 T N -2.133 112.443 114.554 0.037 0.000 3.100 462 T HA 0.084 4.434 4.350 0.000 0.000 0.253 462 T C 1.067 175.810 174.700 0.072 0.000 1.118 462 T CA -0.593 61.538 62.100 0.051 0.000 1.058 462 T CB -0.429 68.472 68.868 0.055 0.000 0.953 462 T HN 0.174 nan 8.240 nan 0.000 0.515 463 L N 2.212 123.480 121.223 0.077 0.000 2.534 463 L HA 0.247 4.588 4.340 0.000 0.000 0.271 463 L C -0.261 176.666 176.870 0.096 0.000 1.178 463 L CA 0.263 55.168 54.840 0.108 0.000 0.907 463 L CB 0.156 42.279 42.059 0.108 0.000 1.164 463 L HN 0.163 nan 8.230 nan 0.000 0.482 464 K N 4.021 124.496 120.400 0.125 0.000 2.444 464 K HA 0.624 4.944 4.320 0.000 0.000 0.252 464 K C -1.494 175.178 176.600 0.120 0.000 0.993 464 K CA -0.998 55.353 56.287 0.106 0.000 0.847 464 K CB 2.472 35.039 32.500 0.113 0.000 1.340 464 K HN 0.271 nan 8.250 nan 0.000 0.446 465 V N 0.981 120.924 119.914 0.049 0.000 2.417 465 V HA 0.649 4.769 4.120 0.000 0.000 0.291 465 V C 0.186 176.205 176.094 -0.126 0.000 1.024 465 V CA -0.480 61.806 62.300 -0.023 0.000 0.861 465 V CB 1.380 33.187 31.823 -0.027 0.000 0.985 465 V HN 0.997 nan 8.190 nan 0.000 0.436 466 G N 2.670 111.151 108.800 -0.532 0.000 2.766 466 G HA2 0.753 4.713 3.960 0.000 0.000 0.288 466 G HA3 0.753 4.713 3.960 0.000 0.000 0.288 466 G C -2.061 172.290 174.900 -0.915 0.000 1.408 466 G CA -0.578 44.142 45.100 -0.634 0.000 0.852 466 G HN 0.481 nan 8.290 nan 0.000 0.487 467 F N 1.502 121.097 119.950 -0.591 0.000 2.576 467 F HA 0.688 5.215 4.527 0.000 0.000 0.313 467 F C -0.693 175.043 175.800 -0.107 0.000 1.078 467 F CA -1.018 56.683 58.000 -0.498 0.000 0.921 467 F CB 2.335 40.927 39.000 -0.681 0.000 1.232 467 F HN 0.643 nan 8.300 nan 0.000 0.459 468 N N 3.861 122.050 118.700 -0.852 0.000 2.357 468 N HA 0.425 5.165 4.740 0.000 0.000 0.284 468 N C -0.463 174.383 175.510 -1.107 0.000 1.236 468 N CA -0.144 52.506 53.050 -0.668 0.000 0.774 468 N CB 1.617 39.989 38.487 -0.193 0.000 1.534 468 N HN 0.730 nan 8.380 nan 0.000 0.478 469 A N 0.966 123.486 122.820 -0.501 0.000 1.930 469 A HA 0.013 4.333 4.320 0.000 0.000 0.217 469 A C 1.804 179.287 177.584 -0.168 0.000 1.175 469 A CA 1.728 53.616 52.037 -0.248 0.000 0.627 469 A CB -0.602 18.396 19.000 -0.004 0.000 0.815 469 A HN 0.436 nan 8.150 nan 0.000 0.443 470 V N -0.719 119.140 119.914 -0.093 0.000 2.407 470 V HA -0.149 3.971 4.120 0.000 0.000 0.245 470 V C 1.991 178.016 176.094 -0.115 0.000 1.041 470 V CA 1.837 64.109 62.300 -0.047 0.000 1.040 470 V CB -0.859 30.989 31.823 0.043 0.000 0.671 470 V HN 0.730 nan 8.190 nan 0.000 0.455 471 H N -1.014 117.960 119.070 -0.161 0.000 2.885 471 H HA 0.447 5.003 4.556 0.000 0.000 0.260 471 H C 1.267 176.548 175.328 -0.078 0.000 0.985 471 H CA 0.574 56.563 56.048 -0.099 0.000 1.210 471 H CB 1.212 30.922 29.762 -0.086 0.000 1.466 471 H HN 0.502 nan 8.280 nan 0.000 0.493 472 G N 0.929 109.660 108.800 -0.115 0.000 2.627 472 G HA2 -0.255 3.705 3.960 0.000 0.000 0.214 472 G HA3 -0.255 3.705 3.960 0.000 0.000 0.214 472 G C -1.017 173.860 174.900 -0.039 0.000 1.331 472 G CA -0.773 44.268 45.100 -0.099 0.000 0.891 472 G HN 0.238 nan 8.290 nan 0.000 0.539 473 Y N 0.690 121.144 120.300 0.257 0.000 2.497 473 Y HA 0.489 5.039 4.550 0.000 0.000 0.334 473 Y C 1.015 176.998 175.900 0.138 0.000 1.199 473 Y CA 1.491 59.708 58.100 0.195 0.000 1.425 473 Y CB 0.515 39.133 38.460 0.264 0.000 1.291 473 Y HN 0.786 nan 8.280 nan 0.000 0.562 474 Y N -0.609 119.833 120.300 0.236 0.000 2.597 474 Y HA 0.732 5.282 4.550 0.000 0.000 0.340 474 Y C -1.586 174.373 175.900 0.098 0.000 1.097 474 Y CA -2.294 55.876 58.100 0.117 0.000 1.037 474 Y CB 0.752 39.229 38.460 0.029 0.000 1.305 474 Y HN 0.359 nan 8.280 nan 0.000 0.463 475 I N 2.752 123.501 120.570 0.298 0.000 2.312 475 I HA 0.281 4.451 4.170 0.000 0.000 0.290 475 I C -0.425 175.926 176.117 0.390 0.000 1.008 475 I CA -0.534 60.908 61.300 0.237 0.000 1.226 475 I CB 1.568 39.553 38.000 -0.024 0.000 1.371 475 I HN 0.626 nan 8.210 nan 0.000 0.468 476 Q N 6.957 126.995 119.800 0.396 0.000 2.278 476 Q HA 0.609 4.949 4.340 0.000 0.000 0.257 476 Q C -1.180 174.971 176.000 0.252 0.000 0.928 476 Q CA -0.527 55.441 55.803 0.275 0.000 0.932 476 Q CB 1.466 30.345 28.738 0.235 0.000 1.221 476 Q HN 0.590 nan 8.270 nan 0.000 0.434 477 I N 1.931 122.666 120.570 0.275 0.000 2.693 477 I HA 0.280 4.450 4.170 0.000 0.000 0.303 477 I C 0.368 176.575 176.117 0.151 0.000 1.025 477 I CA -0.841 60.588 61.300 0.216 0.000 1.086 477 I CB 2.090 40.244 38.000 0.257 0.000 1.268 477 I HN 0.678 nan 8.210 nan 0.000 0.440 478 S N 4.529 120.293 115.700 0.106 0.000 2.589 478 S HA 0.136 4.606 4.470 0.000 0.000 0.265 478 S C 1.090 175.745 174.600 0.091 0.000 1.342 478 S CA -0.161 58.085 58.200 0.076 0.000 1.005 478 S CB 1.007 64.243 63.200 0.060 0.000 0.909 478 S HN 0.789 nan 8.310 nan 0.000 0.555 479 R N 0.954 121.494 120.500 0.067 0.000 2.115 479 R HA 0.012 4.352 4.340 0.000 0.000 0.226 479 R C 2.305 178.667 176.300 0.103 0.000 1.100 479 R CA 1.293 57.437 56.100 0.074 0.000 0.980 479 R CB -1.250 29.071 30.300 0.036 0.000 0.875 479 R HN 0.880 nan 8.270 nan 0.000 0.445 480 G N 0.358 109.211 108.800 0.089 0.000 2.440 480 G HA2 -0.274 3.686 3.960 0.000 0.000 0.218 480 G HA3 -0.274 3.686 3.960 0.000 0.000 0.218 480 G C 1.142 176.165 174.900 0.205 0.000 1.154 480 G CA 0.537 45.703 45.100 0.110 0.000 0.767 480 G HN 0.416 nan 8.290 nan 0.000 0.552 481 Q N 0.535 120.421 119.800 0.145 0.000 2.392 481 Q HA 0.065 4.405 4.340 0.000 0.000 0.203 481 Q C 2.691 178.723 176.000 0.054 0.000 0.917 481 Q CA 0.568 56.417 55.803 0.077 0.000 0.939 481 Q CB 0.307 29.059 28.738 0.024 0.000 1.063 481 Q HN 0.610 nan 8.270 nan 0.000 0.516 482 S N 1.293 117.095 115.700 0.169 0.000 2.400 482 S HA -0.237 4.233 4.470 0.000 0.000 0.232 482 S C 1.858 176.550 174.600 0.153 0.000 1.025 482 S CA 1.508 59.827 58.200 0.197 0.000 0.993 482 S CB -0.676 62.665 63.200 0.236 0.000 0.808 482 S HN 0.607 nan 8.310 nan 0.000 0.478 483 H N 1.541 120.640 119.070 0.049 0.000 2.524 483 H HA 0.185 4.741 4.556 0.000 0.000 0.282 483 H C 1.449 176.767 175.328 -0.016 0.000 1.016 483 H CA 0.822 56.884 56.048 0.023 0.000 1.270 483 H CB -0.513 29.260 29.762 0.018 0.000 1.394 483 H HN 0.465 nan 8.280 nan 0.000 0.568 484 L N 0.913 121.825 121.223 -0.518 0.000 2.628 484 L HA 0.377 4.717 4.340 0.000 0.000 0.229 484 L C 1.308 178.004 176.870 -0.289 0.000 1.137 484 L CA -0.057 54.531 54.840 -0.420 0.000 0.909 484 L CB 0.119 41.908 42.059 -0.450 0.000 1.137 484 L HN 0.178 nan 8.230 nan 0.000 0.470 485 A N 0.640 123.295 122.820 -0.275 0.000 2.406 485 A HA 0.450 4.770 4.320 0.000 0.000 0.243 485 A C -2.118 175.185 177.584 -0.469 0.000 1.082 485 A CA -0.912 50.870 52.037 -0.424 0.000 0.786 485 A CB -0.414 18.278 19.000 -0.514 0.000 1.029 485 A HN -0.027 nan 8.150 nan 0.000 0.495 486 P HA 0.117 nan 4.420 nan 0.000 0.269 486 P C 0.500 177.613 177.300 -0.310 0.000 1.209 486 P CA -0.256 62.541 63.100 -0.506 0.000 0.776 486 P CB 0.394 31.692 31.700 -0.669 0.000 0.876 487 I N 2.265 122.743 120.570 -0.153 0.000 3.251 487 I HA -0.043 4.127 4.170 0.000 0.000 0.277 487 I C 1.689 177.810 176.117 0.006 0.000 1.268 487 I CA 0.859 62.126 61.300 -0.056 0.000 1.449 487 I CB -1.076 36.904 38.000 -0.034 0.000 1.083 487 I HN 0.353 nan 8.210 nan 0.000 0.464 488 N N -0.718 117.986 118.700 0.007 0.000 2.244 488 N HA -0.196 4.544 4.740 0.000 0.000 0.183 488 N C -0.055 175.579 175.510 0.206 0.000 1.016 488 N CA 0.349 53.452 53.050 0.090 0.000 0.866 488 N CB -0.001 38.538 38.487 0.086 0.000 0.980 488 N HN 0.102 nan 8.380 nan 0.000 0.430 489 Y N 1.678 121.942 120.300 -0.060 0.000 2.697 489 Y HA 0.090 4.640 4.550 0.000 0.000 0.349 489 Y C 0.028 175.997 175.900 0.115 0.000 1.120 489 Y CA -0.072 57.997 58.100 -0.051 0.000 1.468 489 Y CB -0.422 37.807 38.460 -0.385 0.000 1.182 489 Y HN 0.062 nan 8.280 nan 0.000 0.525 490 M N 4.077 123.843 119.600 0.278 0.000 2.185 490 M HA 0.274 4.754 4.480 0.000 0.000 0.357 490 M C 0.527 177.013 176.300 0.309 0.000 1.260 490 M CA -0.004 55.445 55.300 0.247 0.000 1.124 490 M CB 0.821 33.512 32.600 0.151 0.000 1.600 490 M HN 0.455 nan 8.290 nan 0.000 0.467 491 R N 1.713 122.366 120.500 0.255 0.000 2.543 491 R HA 0.183 4.523 4.340 0.000 0.000 0.277 491 R C 0.676 176.986 176.300 0.017 0.000 1.074 491 R CA 0.369 56.525 56.100 0.093 0.000 1.076 491 R CB 0.682 31.015 30.300 0.054 0.000 0.993 491 R HN 0.780 nan 8.270 nan 0.000 0.459 492 R N 1.385 121.841 120.500 -0.073 0.000 2.756 492 R HA 0.140 4.480 4.340 0.000 0.000 0.170 492 R C -0.414 175.873 176.300 -0.022 0.000 0.800 492 R CA -0.037 56.057 56.100 -0.009 0.000 1.052 492 R CB 0.701 31.025 30.300 0.039 0.000 1.437 492 R HN 0.611 nan 8.270 nan 0.000 0.607 493 Q N 0.768 120.475 119.800 -0.156 0.000 2.309 493 Q HA 0.319 4.659 4.340 0.000 0.000 0.273 493 Q C -1.746 174.087 176.000 -0.279 0.000 1.040 493 Q CA -0.596 55.082 55.803 -0.208 0.000 0.834 493 Q CB 2.742 31.237 28.738 -0.404 0.000 1.345 493 Q HN 0.126 nan 8.270 nan 0.000 0.414 494 T N 3.344 117.775 114.554 -0.204 0.000 2.855 494 T HA 0.680 5.030 4.350 0.000 0.000 0.281 494 T C -0.803 173.798 174.700 -0.164 0.000 1.007 494 T CA -0.340 61.653 62.100 -0.178 0.000 1.009 494 T CB 0.818 69.618 68.868 -0.112 0.000 0.983 494 T HN 0.418 nan 8.240 nan 0.000 0.455 495 L N 1.490 122.625 121.223 -0.147 0.000 2.277 495 L HA 0.549 4.889 4.340 0.000 0.000 0.254 495 L C 1.649 178.472 176.870 -0.079 0.000 1.044 495 L CA -0.873 53.892 54.840 -0.124 0.000 0.842 495 L CB 1.046 43.013 42.059 -0.153 0.000 1.422 495 L HN 0.435 nan 8.230 nan 0.000 0.422 496 K N 0.399 120.762 120.400 -0.062 0.000 2.020 496 K HA -0.095 4.225 4.320 0.000 0.000 0.212 496 K C 0.167 176.748 176.600 -0.032 0.000 1.050 496 K CA 1.884 58.146 56.287 -0.041 0.000 0.929 496 K CB 0.065 32.544 32.500 -0.034 0.000 0.714 496 K HN 0.596 nan 8.250 nan 0.000 0.443 497 N N -0.896 117.784 118.700 -0.033 0.000 2.365 497 N HA 0.186 4.926 4.740 0.000 0.000 0.257 497 N C -0.968 174.533 175.510 -0.014 0.000 1.287 497 N CA 0.036 53.076 53.050 -0.017 0.000 0.882 497 N CB 1.772 40.254 38.487 -0.010 0.000 1.250 497 N HN 0.058 nan 8.380 nan 0.000 0.507 498 A N 0.409 123.207 122.820 -0.037 0.000 2.604 498 A HA 0.604 4.924 4.320 0.000 0.000 0.295 498 A C -1.570 175.964 177.584 -0.083 0.000 1.067 498 A CA -0.491 51.524 52.037 -0.037 0.000 0.683 498 A CB 2.107 21.075 19.000 -0.053 0.000 1.281 498 A HN 0.030 nan 8.150 nan 0.000 0.407 499 E N 0.417 120.581 120.200 -0.061 0.000 2.210 499 E HA 0.650 5.000 4.350 0.000 0.000 0.266 499 E C -0.687 175.715 176.600 -0.330 0.000 0.883 499 E CA -0.309 55.969 56.400 -0.204 0.000 0.761 499 E CB 1.259 30.894 29.700 -0.108 0.000 1.156 499 E HN 0.543 nan 8.360 nan 0.000 0.412 500 R N 2.910 123.090 120.500 -0.535 0.000 2.637 500 R HA 0.546 4.886 4.340 0.000 0.000 0.291 500 R C -0.984 175.019 176.300 -0.495 0.000 0.963 500 R CA -0.677 55.185 56.100 -0.396 0.000 0.901 500 R CB 1.285 31.292 30.300 -0.489 0.000 1.160 500 R HN 0.504 nan 8.270 nan 0.000 0.457 501 Y N 0.908 121.237 120.300 0.048 0.000 2.665 501 Y HA 0.619 5.169 4.550 0.000 0.000 0.336 501 Y C -0.578 175.317 175.900 -0.009 0.000 1.085 501 Y CA -1.181 56.928 58.100 0.015 0.000 1.096 501 Y CB 1.606 40.057 38.460 -0.016 0.000 1.301 501 Y HN 0.377 nan 8.280 nan 0.000 0.493 502 I N 2.212 122.870 120.570 0.147 0.000 2.722 502 I HA 0.627 4.797 4.170 0.000 0.000 0.295 502 I C -1.449 174.682 176.117 0.023 0.000 1.161 502 I CA -1.112 60.236 61.300 0.079 0.000 1.032 502 I CB 1.722 39.794 38.000 0.118 0.000 1.244 502 I HN 0.518 nan 8.210 nan 0.000 0.421 503 I N 4.243 124.810 120.570 -0.004 0.000 2.828 503 I HA 0.649 4.819 4.170 0.000 0.000 0.302 503 I C -2.280 173.866 176.117 0.049 0.000 1.101 503 I CA -2.132 59.177 61.300 0.015 0.000 1.031 503 I CB 1.792 39.775 38.000 -0.029 0.000 1.231 503 I HN 0.285 nan 8.210 nan 0.000 0.427 504 P HA -0.240 nan 4.420 nan 0.000 0.218 504 P C 1.249 178.586 177.300 0.062 0.000 1.152 504 P CA 1.573 64.708 63.100 0.058 0.000 0.857 504 P CB 0.156 31.889 31.700 0.053 0.000 0.787 505 E N -0.741 119.500 120.200 0.068 0.000 2.152 505 E HA -0.123 4.227 4.350 0.000 0.000 0.192 505 E C 1.900 178.570 176.600 0.117 0.000 0.983 505 E CA 0.596 57.050 56.400 0.090 0.000 0.818 505 E CB -0.421 29.339 29.700 0.100 0.000 0.758 505 E HN 0.199 nan 8.360 nan 0.000 0.467 506 L N 0.655 121.940 121.223 0.102 0.000 2.179 506 L HA -0.075 4.265 4.340 0.000 0.000 0.208 506 L C 2.667 179.608 176.870 0.119 0.000 1.096 506 L CA 0.730 55.640 54.840 0.116 0.000 0.779 506 L CB -0.130 41.985 42.059 0.093 0.000 0.922 506 L HN 0.078 nan 8.230 nan 0.000 0.443 507 K N 0.182 120.642 120.400 0.100 0.000 2.062 507 K HA -0.244 4.076 4.320 0.000 0.000 0.205 507 K C 1.877 178.512 176.600 0.057 0.000 1.051 507 K CA 1.477 57.820 56.287 0.093 0.000 0.941 507 K CB 0.049 32.598 32.500 0.081 0.000 0.719 507 K HN 0.359 nan 8.250 nan 0.000 0.440 508 E N -0.390 119.838 120.200 0.045 0.000 2.077 508 E HA -0.242 4.108 4.350 0.000 0.000 0.193 508 E C 1.900 178.480 176.600 -0.032 0.000 0.989 508 E CA 1.190 57.597 56.400 0.012 0.000 0.800 508 E CB -0.244 29.468 29.700 0.020 0.000 0.746 508 E HN 0.381 nan 8.360 nan 0.000 0.452 509 Y N 1.307 121.497 120.300 -0.183 0.000 2.314 509 Y HA -0.104 4.446 4.550 0.000 0.000 0.293 509 Y C 2.157 177.860 175.900 -0.327 0.000 1.129 509 Y CA 1.865 59.759 58.100 -0.343 0.000 1.201 509 Y CB -0.061 38.055 38.460 -0.573 0.000 0.999 509 Y HN 0.141 nan 8.280 nan 0.000 0.541 510 E N 0.119 120.207 120.200 -0.186 0.000 2.051 510 E HA -0.233 4.117 4.350 0.000 0.000 0.192 510 E C 1.450 177.996 176.600 -0.089 0.000 0.991 510 E CA 1.794 58.132 56.400 -0.103 0.000 0.799 510 E CB -0.201 29.629 29.700 0.217 0.000 0.748 510 E HN 0.467 nan 8.360 nan 0.000 0.449 511 D N 0.561 120.924 120.400 -0.061 0.000 2.219 511 D HA -0.170 4.471 4.640 0.000 0.000 0.205 511 D C 1.885 178.132 176.300 -0.089 0.000 0.970 511 D CA 1.607 55.581 54.000 -0.042 0.000 0.851 511 D CB -0.131 40.659 40.800 -0.017 0.000 0.943 511 D HN 0.479 nan 8.370 nan 0.000 0.488 512 K N 0.100 120.399 120.400 -0.168 0.000 2.211 512 K HA 0.062 4.382 4.320 0.000 0.000 0.201 512 K C 1.894 178.369 176.600 -0.208 0.000 1.052 512 K CA 0.403 56.593 56.287 -0.161 0.000 0.973 512 K CB -0.250 32.149 32.500 -0.168 0.000 0.766 512 K HN -0.111 nan 8.250 nan 0.000 0.466 513 V N 1.881 121.568 119.914 -0.379 0.000 2.453 513 V HA -0.127 3.993 4.120 0.000 0.000 0.247 513 V C 2.198 178.191 176.094 -0.169 0.000 1.048 513 V CA 1.323 63.410 62.300 -0.355 0.000 1.049 513 V CB -0.289 31.168 31.823 -0.611 0.000 0.672 513 V HN 0.309 nan 8.190 nan 0.000 0.457 514 L N 0.120 121.275 121.223 -0.114 0.000 2.131 514 L HA -0.075 4.265 4.340 0.000 0.000 0.206 514 L C 2.678 179.504 176.870 -0.072 0.000 1.087 514 L CA 1.807 56.614 54.840 -0.055 0.000 0.767 514 L CB -1.001 41.069 42.059 0.018 0.000 0.917 514 L HN 0.519 nan 8.230 nan 0.000 0.441 515 T N -3.679 110.829 114.554 -0.076 0.000 2.995 515 T HA -0.097 4.253 4.350 0.000 0.000 0.269 515 T C 1.905 176.513 174.700 -0.153 0.000 1.091 515 T CA 1.041 63.083 62.100 -0.096 0.000 1.128 515 T CB -0.198 68.633 68.868 -0.062 0.000 0.891 515 T HN 0.384 nan 8.240 nan 0.000 0.492 516 S N 0.491 116.137 115.700 -0.090 0.000 2.486 516 S HA 0.225 4.695 4.470 0.000 0.000 0.220 516 S C 1.954 176.497 174.600 -0.096 0.000 1.011 516 S CA -0.192 57.980 58.200 -0.047 0.000 0.921 516 S CB -0.188 63.142 63.200 0.216 0.000 0.785 516 S HN 0.428 nan 8.310 nan 0.000 0.517 517 K N 0.917 121.259 120.400 -0.096 0.000 2.103 517 K HA 0.097 4.417 4.320 0.000 0.000 0.204 517 K C 2.215 178.740 176.600 -0.125 0.000 1.052 517 K CA 1.011 57.244 56.287 -0.089 0.000 0.945 517 K CB -0.559 31.893 32.500 -0.080 0.000 0.722 517 K HN 0.518 nan 8.250 nan 0.000 0.443 518 G N 0.945 109.654 108.800 -0.151 0.000 2.403 518 G HA2 -0.198 3.762 3.960 0.000 0.000 0.216 518 G HA3 -0.198 3.762 3.960 0.000 0.000 0.216 518 G C 1.302 176.057 174.900 -0.242 0.000 1.154 518 G CA 0.441 45.444 45.100 -0.162 0.000 0.784 518 G HN 0.179 nan 8.290 nan 0.000 0.538 519 K N 0.321 120.485 120.400 -0.395 0.000 2.217 519 K HA 0.160 4.480 4.320 0.000 0.000 0.202 519 K C 2.746 179.001 176.600 -0.574 0.000 1.051 519 K CA 0.700 56.605 56.287 -0.637 0.000 0.952 519 K CB -0.020 31.722 32.500 -1.263 0.000 0.736 519 K HN 0.267 nan 8.250 nan 0.000 0.453 520 A N 0.647 123.247 122.820 -0.365 0.000 2.016 520 A HA -0.070 4.250 4.320 0.000 0.000 0.217 520 A C 1.907 179.434 177.584 -0.095 0.000 1.162 520 A CA 0.809 52.761 52.037 -0.142 0.000 0.662 520 A CB -0.142 18.851 19.000 -0.012 0.000 0.812 520 A HN 0.168 nan 8.150 nan 0.000 0.450 521 L N -0.692 120.459 121.223 -0.120 0.000 2.102 521 L HA 0.164 4.504 4.340 0.000 0.000 0.202 521 L C 2.663 179.481 176.870 -0.085 0.000 1.076 521 L CA 1.777 56.565 54.840 -0.087 0.000 0.761 521 L CB -0.564 41.444 42.059 -0.086 0.000 0.921 521 L HN 0.289 nan 8.230 nan 0.000 0.444 522 A N -1.063 121.686 122.820 -0.118 0.000 2.067 522 A HA -0.139 4.181 4.320 0.000 0.000 0.219 522 A C 2.116 179.656 177.584 -0.073 0.000 1.158 522 A CA 1.671 53.649 52.037 -0.099 0.000 0.661 522 A CB -0.673 18.250 19.000 -0.129 0.000 0.801 522 A HN 0.421 nan 8.150 nan 0.000 0.452 523 L N -0.215 120.959 121.223 -0.081 0.000 2.127 523 L HA 0.056 4.396 4.340 0.000 0.000 0.203 523 L C 2.149 179.033 176.870 0.023 0.000 1.080 523 L CA 2.309 57.138 54.840 -0.019 0.000 0.768 523 L CB -0.610 41.452 42.059 0.006 0.000 0.924 523 L HN 0.558 nan 8.230 nan 0.000 0.444 524 E N -0.482 119.727 120.200 0.016 0.000 2.160 524 E HA -0.258 4.092 4.350 0.000 0.000 0.195 524 E C 1.919 178.541 176.600 0.038 0.000 0.991 524 E CA 1.410 57.832 56.400 0.038 0.000 0.810 524 E CB 0.066 29.770 29.700 0.007 0.000 0.742 524 E HN 0.490 nan 8.360 nan 0.000 0.466 525 K N -0.124 120.281 120.400 0.009 0.000 2.211 525 K HA -0.094 4.226 4.320 0.000 0.000 0.201 525 K C 2.284 178.910 176.600 0.043 0.000 1.052 525 K CA 0.937 57.234 56.287 0.017 0.000 0.973 525 K CB -0.004 32.487 32.500 -0.014 0.000 0.766 525 K HN 0.178 nan 8.250 nan 0.000 0.466 526 Q N 1.313 121.130 119.800 0.028 0.000 2.084 526 Q HA -0.141 4.200 4.340 0.000 0.000 0.202 526 Q C 1.892 177.915 176.000 0.038 0.000 0.978 526 Q CA 1.287 57.106 55.803 0.027 0.000 0.844 526 Q CB -0.040 28.710 28.738 0.020 0.000 0.898 526 Q HN 0.268 nan 8.270 nan 0.000 0.426 527 L N -0.446 120.820 121.223 0.072 0.000 2.156 527 L HA -0.114 4.226 4.340 0.000 0.000 0.208 527 L C 2.328 179.242 176.870 0.073 0.000 1.095 527 L CA 1.009 55.920 54.840 0.119 0.000 0.770 527 L CB -0.334 41.849 42.059 0.205 0.000 0.914 527 L HN 0.338 nan 8.230 nan 0.000 0.439 528 Y N 0.599 120.837 120.300 -0.104 0.000 2.286 528 Y HA -0.131 4.419 4.550 0.000 0.000 0.293 528 Y C 2.514 178.124 175.900 -0.484 0.000 1.124 528 Y CA 1.154 59.105 58.100 -0.247 0.000 1.178 528 Y CB 0.217 38.546 38.460 -0.217 0.000 1.010 528 Y HN 0.084 nan 8.280 nan 0.000 0.536 529 E N 0.420 120.467 120.200 -0.255 0.000 2.208 529 E HA -0.201 4.150 4.350 0.000 0.000 0.193 529 E C 1.853 178.305 176.600 -0.246 0.000 0.988 529 E CA 1.015 57.203 56.400 -0.354 0.000 0.828 529 E CB -0.120 29.558 29.700 -0.036 0.000 0.763 529 E HN 0.667 nan 8.360 nan 0.000 0.478 530 E N 0.169 120.284 120.200 -0.140 0.000 2.150 530 E HA -0.136 4.214 4.350 0.000 0.000 0.193 530 E C 1.781 178.343 176.600 -0.063 0.000 0.985 530 E CA 0.181 56.553 56.400 -0.046 0.000 0.814 530 E CB 0.141 29.854 29.700 0.021 0.000 0.752 530 E HN 0.024 nan 8.360 nan 0.000 0.466 531 L N 0.295 121.398 121.223 -0.199 0.000 2.127 531 L HA -0.187 4.153 4.340 0.000 0.000 0.211 531 L C 1.862 178.708 176.870 -0.040 0.000 1.089 531 L CA 1.483 56.216 54.840 -0.178 0.000 0.757 531 L CB -0.783 41.046 42.059 -0.383 0.000 0.899 531 L HN 0.209 nan 8.230 nan 0.000 0.434 532 F N -0.037 119.827 119.950 -0.143 0.000 2.134 532 F HA -0.183 4.344 4.527 0.000 0.000 0.299 532 F C 2.463 178.233 175.800 -0.049 0.000 1.097 532 F CA 0.807 58.745 58.000 -0.103 0.000 1.264 532 F CB -1.246 37.693 39.000 -0.102 0.000 1.001 532 F HN 0.186 nan 8.300 nan 0.000 0.479 533 D N 0.315 120.805 120.400 0.150 0.000 2.158 533 D HA -0.160 4.480 4.640 0.000 0.000 0.197 533 D C 2.361 178.701 176.300 0.066 0.000 0.995 533 D CA 1.240 55.291 54.000 0.084 0.000 0.846 533 D CB -0.350 40.485 40.800 0.059 0.000 0.941 533 D HN 0.270 nan 8.370 nan 0.000 0.456 534 L N -0.279 120.995 121.223 0.085 0.000 2.307 534 L HA 0.048 4.388 4.340 0.000 0.000 0.211 534 L C 2.384 179.350 176.870 0.161 0.000 1.099 534 L CA 0.214 55.119 54.840 0.107 0.000 0.816 534 L CB -0.057 42.072 42.059 0.117 0.000 0.952 534 L HN -0.042 nan 8.230 nan 0.000 0.455 535 L N -1.099 120.213 121.223 0.148 0.000 2.209 535 L HA -0.096 4.244 4.340 0.000 0.000 0.207 535 L C 2.330 179.268 176.870 0.114 0.000 1.094 535 L CA 0.215 55.158 54.840 0.173 0.000 0.790 535 L CB -0.252 41.890 42.059 0.137 0.000 0.932 535 L HN 0.199 nan 8.230 nan 0.000 0.447 536 L N 0.471 121.721 121.223 0.045 0.000 2.056 536 L HA -0.058 4.282 4.340 0.000 0.000 0.207 536 L C -0.079 176.757 176.870 -0.057 0.000 1.078 536 L CA 1.899 56.733 54.840 -0.010 0.000 0.749 536 L CB -2.074 39.976 42.059 -0.015 0.000 0.901 536 L HN 0.091 nan 8.230 nan 0.000 0.433 537 P HA -0.174 nan 4.420 nan 0.000 0.218 537 P C 0.677 177.795 177.300 -0.303 0.000 1.146 537 P CA 1.579 64.520 63.100 -0.265 0.000 0.820 537 P CB -0.093 31.350 31.700 -0.428 0.000 0.778 538 H N -2.610 116.477 119.070 0.028 0.000 2.529 538 H HA 0.143 4.699 4.556 0.000 0.000 0.277 538 H C 1.591 176.928 175.328 0.015 0.000 1.004 538 H CA -0.414 55.656 56.048 0.036 0.000 1.167 538 H CB -0.354 29.425 29.762 0.027 0.000 1.445 538 H HN -0.011 nan 8.280 nan 0.000 0.554 539 L N 1.257 122.520 121.223 0.066 0.000 2.079 539 L HA -0.179 4.162 4.340 0.000 0.000 0.210 539 L C 2.233 179.145 176.870 0.070 0.000 1.081 539 L CA 1.784 56.650 54.840 0.044 0.000 0.752 539 L CB -0.314 41.756 42.059 0.018 0.000 0.896 539 L HN 0.339 nan 8.230 nan 0.000 0.433 540 E N -0.673 119.578 120.200 0.086 0.000 2.038 540 E HA -0.266 4.084 4.350 0.000 0.000 0.195 540 E C 2.120 178.797 176.600 0.128 0.000 1.000 540 E CA 1.329 57.788 56.400 0.098 0.000 0.803 540 E CB -0.244 29.511 29.700 0.092 0.000 0.750 540 E HN 0.610 nan 8.360 nan 0.000 0.448 541 A N 0.761 123.686 122.820 0.175 0.000 1.933 541 A HA -0.155 4.165 4.320 0.000 0.000 0.218 541 A C 2.187 179.956 177.584 0.307 0.000 1.175 541 A CA 1.133 53.329 52.037 0.265 0.000 0.628 541 A CB -0.583 18.647 19.000 0.382 0.000 0.814 541 A HN 0.313 nan 8.150 nan 0.000 0.444 542 L N -1.205 120.099 121.223 0.136 0.000 2.093 542 L HA -0.213 4.127 4.340 0.000 0.000 0.208 542 L C 2.882 179.805 176.870 0.089 0.000 1.085 542 L CA 1.379 56.220 54.840 0.002 0.000 0.755 542 L CB -0.496 41.479 42.059 -0.140 0.000 0.904 542 L HN 0.475 nan 8.230 nan 0.000 0.435 543 Q N -0.484 119.368 119.800 0.088 0.000 2.084 543 Q HA -0.251 4.089 4.340 0.000 0.000 0.202 543 Q C 2.279 178.340 176.000 0.102 0.000 0.978 543 Q CA 1.480 57.335 55.803 0.086 0.000 0.844 543 Q CB -0.067 28.719 28.738 0.081 0.000 0.898 543 Q HN 0.530 nan 8.270 nan 0.000 0.426 544 Q N -0.295 119.578 119.800 0.121 0.000 2.096 544 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 544 Q C 2.265 178.346 176.000 0.136 0.000 0.982 544 Q CA 1.469 57.344 55.803 0.120 0.000 0.850 544 Q CB -0.194 28.617 28.738 0.121 0.000 0.901 544 Q HN 0.205 nan 8.270 nan 0.000 0.422 545 S N 0.005 115.821 115.700 0.194 0.000 2.359 545 S HA -0.208 4.262 4.470 0.000 0.000 0.224 545 S C 1.974 176.669 174.600 0.158 0.000 1.035 545 S CA 1.252 59.587 58.200 0.225 0.000 1.018 545 S CB -0.233 63.224 63.200 0.428 0.000 0.876 545 S HN 0.485 nan 8.310 nan 0.000 0.448 546 A N 0.718 123.616 122.820 0.129 0.000 1.933 546 A HA -0.061 4.260 4.320 0.000 0.000 0.218 546 A C 2.428 180.053 177.584 0.069 0.000 1.175 546 A CA 2.204 54.291 52.037 0.084 0.000 0.628 546 A CB -1.142 17.893 19.000 0.058 0.000 0.814 546 A HN 0.735 nan 8.150 nan 0.000 0.444 547 S N -0.077 115.669 115.700 0.078 0.000 2.406 547 S HA 0.100 4.570 4.470 0.000 0.000 0.228 547 S C 2.101 176.747 174.600 0.078 0.000 1.020 547 S CA 1.301 59.545 58.200 0.074 0.000 0.965 547 S CB -0.474 62.777 63.200 0.085 0.000 0.798 547 S HN 0.835 nan 8.310 nan 0.000 0.488 548 A N 1.958 124.828 122.820 0.083 0.000 1.877 548 A HA 0.150 4.471 4.320 0.000 0.000 0.216 548 A C 2.343 179.961 177.584 0.058 0.000 1.186 548 A CA 1.429 53.511 52.037 0.075 0.000 0.620 548 A CB -0.886 18.159 19.000 0.075 0.000 0.822 548 A HN 0.572 nan 8.150 nan 0.000 0.443 549 L N -0.904 120.353 121.223 0.057 0.000 2.093 549 L HA -0.180 4.160 4.340 0.000 0.000 0.208 549 L C 3.106 179.984 176.870 0.013 0.000 1.085 549 L CA 0.984 55.847 54.840 0.039 0.000 0.755 549 L CB -0.558 41.531 42.059 0.050 0.000 0.904 549 L HN 0.464 nan 8.230 nan 0.000 0.435 550 A N -0.195 122.630 122.820 0.009 0.000 1.877 550 A HA -0.260 4.060 4.320 0.000 0.000 0.216 550 A C 2.243 179.787 177.584 -0.067 0.000 1.186 550 A CA 1.831 53.849 52.037 -0.031 0.000 0.620 550 A CB -0.500 18.485 19.000 -0.024 0.000 0.822 550 A HN 0.440 nan 8.150 nan 0.000 0.443 551 E N -0.775 119.417 120.200 -0.014 0.000 2.077 551 E HA -0.178 4.173 4.350 0.000 0.000 0.193 551 E C 1.888 178.487 176.600 -0.003 0.000 0.989 551 E CA 0.960 57.366 56.400 0.011 0.000 0.800 551 E CB -0.128 29.664 29.700 0.152 0.000 0.746 551 E HN 0.358 nan 8.360 nan 0.000 0.452 552 L N 1.680 122.911 121.223 0.012 0.000 2.079 552 L HA -0.197 4.143 4.340 0.000 0.000 0.210 552 L C 2.045 178.903 176.870 -0.020 0.000 1.081 552 L CA 1.987 56.830 54.840 0.006 0.000 0.752 552 L CB -1.066 40.999 42.059 0.009 0.000 0.896 552 L HN 0.244 nan 8.230 nan 0.000 0.433 553 D N -1.246 119.130 120.400 -0.041 0.000 2.123 553 D HA -0.130 4.510 4.640 0.000 0.000 0.200 553 D C 2.207 178.453 176.300 -0.089 0.000 0.976 553 D CA 1.080 55.047 54.000 -0.054 0.000 0.831 553 D CB 0.179 40.947 40.800 -0.054 0.000 0.974 553 D HN 0.116 nan 8.370 nan 0.000 0.469 554 V N 0.695 120.512 119.914 -0.161 0.000 2.255 554 V HA -0.238 3.882 4.120 0.000 0.000 0.247 554 V C 2.751 178.771 176.094 -0.123 0.000 1.051 554 V CA 1.540 63.695 62.300 -0.243 0.000 1.018 554 V CB -0.568 30.903 31.823 -0.586 0.000 0.641 554 V HN 0.282 nan 8.190 nan 0.000 0.445 555 L N -0.713 120.475 121.223 -0.058 0.000 2.141 555 L HA -0.119 4.221 4.340 0.000 0.000 0.209 555 L C 2.416 179.286 176.870 0.000 0.000 1.094 555 L CA 0.831 55.689 54.840 0.031 0.000 0.763 555 L CB -0.612 41.498 42.059 0.085 0.000 0.908 555 L HN 0.181 nan 8.230 nan 0.000 0.437 556 V N 0.440 120.346 119.914 -0.014 0.000 2.358 556 V HA -0.262 3.859 4.120 0.000 0.000 0.246 556 V C 2.297 178.381 176.094 -0.018 0.000 1.047 556 V CA 2.048 64.341 62.300 -0.011 0.000 1.035 556 V CB -0.614 31.206 31.823 -0.005 0.000 0.658 556 V HN 0.570 nan 8.190 nan 0.000 0.452 557 N N 0.461 119.144 118.700 -0.028 0.000 2.069 557 N HA -0.179 4.561 4.740 0.000 0.000 0.191 557 N C 1.710 177.207 175.510 -0.022 0.000 1.031 557 N CA 1.855 54.888 53.050 -0.028 0.000 0.852 557 N CB -0.334 38.128 38.487 -0.042 0.000 1.018 557 N HN 0.437 nan 8.380 nan 0.000 0.423 558 L N -0.374 120.840 121.223 -0.014 0.000 2.141 558 L HA -0.033 4.307 4.340 0.000 0.000 0.209 558 L C 2.503 179.345 176.870 -0.046 0.000 1.094 558 L CA 1.003 55.848 54.840 0.008 0.000 0.763 558 L CB -0.642 41.452 42.059 0.059 0.000 0.908 558 L HN 0.316 nan 8.230 nan 0.000 0.437 559 A N -0.273 122.504 122.820 -0.072 0.000 1.877 559 A HA -0.244 4.076 4.320 0.000 0.000 0.216 559 A C 2.323 179.869 177.584 -0.063 0.000 1.186 559 A CA 1.738 53.705 52.037 -0.118 0.000 0.620 559 A CB -0.510 18.442 19.000 -0.080 0.000 0.822 559 A HN 0.379 nan 8.150 nan 0.000 0.443 560 E N -0.006 120.178 120.200 -0.027 0.000 2.110 560 E HA -0.210 4.140 4.350 0.000 0.000 0.193 560 E C 2.152 178.748 176.600 -0.006 0.000 0.988 560 E CA 0.923 57.329 56.400 0.010 0.000 0.804 560 E CB -0.224 29.479 29.700 0.005 0.000 0.745 560 E HN 0.424 nan 8.360 nan 0.000 0.458 561 R N 0.155 120.620 120.500 -0.058 0.000 2.081 561 R HA -0.058 4.282 4.340 0.000 0.000 0.235 561 R C 2.330 178.444 176.300 -0.309 0.000 1.131 561 R CA 1.138 57.150 56.100 -0.147 0.000 0.960 561 R CB -0.944 29.306 30.300 -0.083 0.000 0.856 561 R HN 0.207 nan 8.270 nan 0.000 0.436 562 A N 0.464 123.176 122.820 -0.181 0.000 1.902 562 A HA -0.216 4.104 4.320 0.000 0.000 0.217 562 A C 2.085 179.624 177.584 -0.075 0.000 1.181 562 A CA 1.280 53.238 52.037 -0.132 0.000 0.623 562 A CB -0.723 18.261 19.000 -0.026 0.000 0.818 562 A HN 0.382 nan 8.150 nan 0.000 0.443 563 Y N 1.271 121.489 120.300 -0.136 0.000 2.070 563 Y HA -0.183 4.367 4.550 0.000 0.000 0.279 563 Y C 2.711 178.541 175.900 -0.116 0.000 1.134 563 Y CA 2.400 60.447 58.100 -0.088 0.000 1.113 563 Y CB -0.913 37.506 38.460 -0.069 0.000 0.981 563 Y HN 0.302 nan 8.280 nan 0.000 0.487 564 T N 1.263 115.687 114.554 -0.216 0.000 2.788 564 T HA -0.134 4.216 4.350 0.000 0.000 0.268 564 T C 1.792 176.305 174.700 -0.311 0.000 1.044 564 T CA 1.805 63.722 62.100 -0.305 0.000 1.139 564 T CB -0.428 68.355 68.868 -0.141 0.000 0.867 564 T HN 0.310 nan 8.240 nan 0.000 0.454 565 L N 0.872 121.862 121.223 -0.388 0.000 2.592 565 L HA 0.273 4.613 4.340 0.000 0.000 0.227 565 L C 0.745 177.445 176.870 -0.284 0.000 1.127 565 L CA -0.067 54.524 54.840 -0.415 0.000 0.884 565 L CB -0.585 41.036 42.059 -0.731 0.000 1.065 565 L HN 0.432 nan 8.230 nan 0.000 0.457 566 N N 0.572 119.138 118.700 -0.224 0.000 2.699 566 N HA -0.200 4.540 4.740 0.000 0.000 0.257 566 N C -1.116 174.537 175.510 0.239 0.000 1.077 566 N CA -0.026 53.016 53.050 -0.013 0.000 0.702 566 N CB -0.401 38.083 38.487 -0.004 0.000 0.886 566 N HN 0.127 nan 8.380 nan 0.000 0.549 567 Y N 0.058 120.401 120.300 0.071 0.000 2.534 567 Y HA 0.554 5.104 4.550 0.000 0.000 0.329 567 Y C 1.191 177.178 175.900 0.144 0.000 1.154 567 Y CA -0.625 57.536 58.100 0.102 0.000 1.192 567 Y CB 1.335 39.886 38.460 0.152 0.000 1.275 567 Y HN 0.220 nan 8.280 nan 0.000 0.491 568 T N -2.580 112.082 114.554 0.179 0.000 2.930 568 T HA 0.388 4.738 4.350 0.000 0.000 0.290 568 T C -0.679 173.730 174.700 -0.484 0.000 1.052 568 T CA -0.839 61.209 62.100 -0.086 0.000 1.017 568 T CB 1.463 70.269 68.868 -0.105 0.000 1.137 568 T HN 0.730 nan 8.240 nan 0.000 0.511 569 C N 4.155 122.911 119.300 -0.908 0.000 2.576 569 C HA 0.553 5.013 4.460 0.000 0.000 0.401 569 C C -1.948 172.729 174.990 -0.521 0.000 1.314 569 C CA -1.282 57.118 59.018 -1.031 0.000 1.855 569 C CB -0.542 26.637 27.740 -0.935 0.000 2.537 569 C HN 0.735 nan 8.230 nan 0.000 0.578 570 P HA 0.369 nan 4.420 nan 0.000 0.279 570 P C -0.559 176.351 177.300 -0.649 0.000 1.252 570 P CA 0.130 62.937 63.100 -0.487 0.000 0.811 570 P CB 1.043 32.446 31.700 -0.496 0.000 1.035 571 T N -1.758 112.427 114.554 -0.615 0.000 2.940 571 T HA 0.717 5.067 4.350 0.000 0.000 0.288 571 T C -0.562 173.701 174.700 -0.729 0.000 1.045 571 T CA -0.538 61.190 62.100 -0.619 0.000 1.018 571 T CB 0.690 69.390 68.868 -0.280 0.000 1.151 571 T HN 0.118 nan 8.240 nan 0.000 0.529 572 F N 0.727 120.630 119.950 -0.079 0.000 2.508 572 F HA 0.693 5.220 4.527 0.000 0.000 0.325 572 F C 0.364 176.151 175.800 -0.021 0.000 1.090 572 F CA -1.512 56.455 58.000 -0.055 0.000 0.945 572 F CB 1.443 40.413 39.000 -0.050 0.000 1.156 572 F HN 0.718 nan 8.300 nan 0.000 0.463 573 I N -1.757 118.916 120.570 0.172 0.000 3.133 573 I HA 0.579 4.749 4.170 0.000 0.000 0.311 573 I C -0.020 176.158 176.117 0.101 0.000 1.072 573 I CA -0.857 60.501 61.300 0.097 0.000 1.015 573 I CB 1.634 39.661 38.000 0.044 0.000 1.233 573 I HN 0.371 nan 8.210 nan 0.000 0.473 574 D N 0.964 121.401 120.400 0.062 0.000 2.137 574 D HA 0.043 4.683 4.640 0.000 0.000 0.202 574 D C 0.215 176.535 176.300 0.034 0.000 0.970 574 D CA 1.483 55.517 54.000 0.057 0.000 0.837 574 D CB 0.091 40.916 40.800 0.042 0.000 0.981 574 D HN 0.448 nan 8.370 nan 0.000 0.475 575 K N 0.326 120.719 120.400 -0.010 0.000 2.185 575 K HA 0.408 4.728 4.320 0.000 0.000 0.240 575 K C -2.597 173.925 176.600 -0.130 0.000 0.983 575 K CA -2.008 54.223 56.287 -0.094 0.000 0.873 575 K CB 1.483 33.938 32.500 -0.076 0.000 1.118 575 K HN -0.225 nan 8.250 nan 0.000 0.441 576 P HA 0.062 nan 4.420 nan 0.000 0.265 576 P C -0.644 176.602 177.300 -0.089 0.000 1.187 576 P CA 0.219 63.195 63.100 -0.206 0.000 0.766 576 P CB 0.540 32.068 31.700 -0.287 0.000 0.820 577 G N 1.280 110.058 108.800 -0.037 0.000 2.358 577 G HA2 0.435 4.395 3.960 0.000 0.000 0.303 577 G HA3 0.435 4.395 3.960 0.000 0.000 0.303 577 G C -1.986 172.919 174.900 0.008 0.000 1.537 577 G CA -0.688 44.403 45.100 -0.016 0.000 0.928 577 G HN 0.394 nan 8.290 nan 0.000 0.656 578 I N 0.809 121.380 120.570 0.001 0.000 2.529 578 I HA 0.439 4.609 4.170 0.000 0.000 0.284 578 I C -0.267 175.843 176.117 -0.012 0.000 1.088 578 I CA -0.811 60.488 61.300 -0.002 0.000 1.062 578 I CB 2.237 40.234 38.000 -0.005 0.000 1.218 578 I HN 0.301 nan 8.210 nan 0.000 0.442 579 R N 6.982 127.469 120.500 -0.021 0.000 2.288 579 R HA 0.699 5.039 4.340 0.000 0.000 0.326 579 R C -0.988 175.292 176.300 -0.033 0.000 0.959 579 R CA -0.643 55.445 56.100 -0.020 0.000 0.834 579 R CB 2.020 32.307 30.300 -0.022 0.000 1.157 579 R HN 0.552 nan 8.270 nan 0.000 0.470 580 I N 1.781 122.339 120.570 -0.019 0.000 2.433 580 I HA 0.281 4.451 4.170 0.000 0.000 0.292 580 I C -0.085 176.033 176.117 0.002 0.000 1.001 580 I CA -0.610 60.676 61.300 -0.023 0.000 1.119 580 I CB 2.483 40.468 38.000 -0.025 0.000 1.289 580 I HN 0.395 nan 8.210 nan 0.000 0.438 581 T N 4.759 119.309 114.554 -0.006 0.000 2.770 581 T HA 0.215 4.565 4.350 0.000 0.000 0.283 581 T C -0.184 174.530 174.700 0.022 0.000 0.988 581 T CA -0.462 61.645 62.100 0.011 0.000 0.957 581 T CB 0.932 69.799 68.868 -0.001 0.000 0.930 581 T HN 0.547 nan 8.240 nan 0.000 0.443 582 E N 1.041 121.269 120.200 0.048 0.000 2.199 582 E HA -0.150 4.200 4.350 0.000 0.000 0.208 582 E C 0.624 177.266 176.600 0.070 0.000 1.310 582 E CA 0.681 57.123 56.400 0.070 0.000 0.709 582 E CB -1.350 28.385 29.700 0.059 0.000 1.127 582 E HN 0.896 nan 8.360 nan 0.000 0.354 583 G N 0.339 109.181 108.800 0.070 0.000 2.539 583 G HA2 0.480 4.440 3.960 0.000 0.000 0.258 583 G HA3 0.480 4.440 3.960 0.000 0.000 0.258 583 G C 0.098 175.054 174.900 0.093 0.000 1.202 583 G CA -0.532 44.590 45.100 0.037 0.000 0.851 583 G HN 0.114 nan 8.290 nan 0.000 0.556 584 R N -0.898 119.582 120.500 -0.033 0.000 2.740 584 R HA 0.303 4.643 4.340 0.000 0.000 0.273 584 R C -0.734 175.355 176.300 -0.352 0.000 0.998 584 R CA -0.984 54.987 56.100 -0.216 0.000 0.900 584 R CB 1.334 31.432 30.300 -0.336 0.000 1.223 584 R HN 0.613 nan 8.270 nan 0.000 0.466 585 H N 4.521 123.153 119.070 -0.729 0.000 2.944 585 H HA 0.106 4.662 4.556 0.000 0.000 0.278 585 H C -1.593 173.494 175.328 -0.401 0.000 1.083 585 H CA -1.982 53.823 56.048 -0.405 0.000 1.479 585 H CB 1.188 30.819 29.762 -0.219 0.000 1.486 585 H HN 0.349 nan 8.280 nan 0.000 0.493 586 P HA -0.141 nan 4.420 nan 0.000 0.220 586 P C 1.316 178.662 177.300 0.077 0.000 1.148 586 P CA 0.598 63.678 63.100 -0.034 0.000 0.803 586 P CB 0.711 32.365 31.700 -0.077 0.000 0.782 587 V N -0.281 119.772 119.914 0.232 0.000 2.436 587 V HA -0.092 4.028 4.120 0.000 0.000 0.240 587 V C 2.760 178.854 176.094 0.000 0.000 1.040 587 V CA 1.066 63.442 62.300 0.128 0.000 1.052 587 V CB -0.977 30.945 31.823 0.164 0.000 0.707 587 V HN -0.114 nan 8.190 nan 0.000 0.469 588 V N 1.727 121.560 119.914 -0.135 0.000 2.490 588 V HA -0.269 3.851 4.120 0.000 0.000 0.250 588 V C 2.498 178.572 176.094 -0.033 0.000 1.061 588 V CA 2.282 64.479 62.300 -0.172 0.000 1.064 588 V CB -0.902 30.776 31.823 -0.241 0.000 0.670 588 V HN 0.879 nan 8.190 nan 0.000 0.461 589 E N -0.418 119.706 120.200 -0.127 0.000 2.418 589 E HA -0.201 4.149 4.350 0.000 0.000 0.197 589 E C 1.891 178.493 176.600 0.003 0.000 1.026 589 E CA 0.752 57.113 56.400 -0.064 0.000 0.862 589 E CB -0.094 29.457 29.700 -0.248 0.000 0.799 589 E HN 0.540 nan 8.360 nan 0.000 0.518 590 Q N 0.534 120.332 119.800 -0.003 0.000 2.226 590 Q HA 0.093 4.433 4.340 0.000 0.000 0.199 590 Q C 1.091 177.095 176.000 0.007 0.000 0.945 590 Q CA 0.723 56.530 55.803 0.006 0.000 0.861 590 Q CB 0.489 29.231 28.738 0.008 0.000 0.953 590 Q HN 0.243 nan 8.270 nan 0.000 0.490 591 V N 2.121 122.035 119.914 0.000 0.000 2.218 591 V HA 0.542 4.662 4.120 0.000 0.000 0.261 591 V C -1.209 174.885 176.094 -0.001 0.000 1.142 591 V CA -0.372 61.925 62.300 -0.004 0.000 0.965 591 V CB -0.257 31.558 31.823 -0.013 0.000 1.190 591 V HN 0.233 nan 8.190 nan 0.000 0.478 592 L N 4.792 126.022 121.223 0.011 0.000 4.439 592 L HA 0.349 4.689 4.340 0.000 0.000 0.261 592 L C -0.777 176.110 176.870 0.028 0.000 1.052 592 L CA 0.153 55.005 54.840 0.019 0.000 1.191 592 L CB 1.224 43.309 42.059 0.043 0.000 1.969 592 L HN 0.413 nan 8.230 nan 0.000 0.580 593 N N 4.059 122.771 118.700 0.020 0.000 2.558 593 N HA 0.227 4.967 4.740 0.000 0.000 0.281 593 N C -0.963 174.563 175.510 0.026 0.000 1.219 593 N CA 0.026 53.089 53.050 0.021 0.000 0.942 593 N CB 0.537 39.033 38.487 0.014 0.000 1.241 593 N HN 0.758 nan 8.380 nan 0.000 0.511 594 E N -0.227 119.992 120.200 0.033 0.000 2.423 594 E HA 0.556 4.906 4.350 0.000 0.000 0.269 594 E C -2.824 173.808 176.600 0.054 0.000 0.948 594 E CA -2.077 54.345 56.400 0.037 0.000 0.802 594 E CB 0.404 30.123 29.700 0.032 0.000 1.339 594 E HN -0.102 nan 8.360 nan 0.000 0.445 595 P HA 0.083 nan 4.420 nan 0.000 0.271 595 P C -1.298 176.057 177.300 0.090 0.000 1.216 595 P CA -0.166 62.980 63.100 0.077 0.000 0.776 595 P CB 0.209 31.943 31.700 0.058 0.000 0.881 596 F N 3.499 123.457 119.950 0.013 0.000 2.420 596 F HA 0.232 4.759 4.527 0.000 0.000 0.352 596 F C 0.237 176.056 175.800 0.032 0.000 1.108 596 F CA -0.718 57.287 58.000 0.009 0.000 1.162 596 F CB 0.371 39.380 39.000 0.015 0.000 1.118 596 F HN 0.115 nan 8.300 nan 0.000 0.510 597 I N 6.662 127.026 120.570 -0.343 0.000 2.421 597 I HA 0.170 4.340 4.170 0.000 0.000 0.291 597 I C 0.785 176.916 176.117 0.023 0.000 1.089 597 I CA -0.375 60.853 61.300 -0.120 0.000 1.354 597 I CB -0.568 37.360 38.000 -0.120 0.000 1.413 597 I HN 0.618 nan 8.210 nan 0.000 0.513 598 A N 7.497 130.434 122.820 0.195 0.000 2.366 598 A HA 0.500 4.820 4.320 0.000 0.000 0.249 598 A C 0.243 177.929 177.584 0.170 0.000 1.084 598 A CA -0.222 51.970 52.037 0.258 0.000 0.794 598 A CB 0.308 19.419 19.000 0.186 0.000 1.034 598 A HN 0.774 nan 8.150 nan 0.000 0.491 599 N N 0.283 119.106 118.700 0.204 0.000 2.331 599 N HA 0.586 5.326 4.740 0.000 0.000 0.280 599 N C -3.128 172.500 175.510 0.196 0.000 1.155 599 N CA -0.879 52.280 53.050 0.183 0.000 0.822 599 N CB 2.716 41.349 38.487 0.243 0.000 1.619 599 N HN 0.436 nan 8.380 nan 0.000 0.476 600 P HA 0.552 nan 4.420 nan 0.000 0.284 600 P C -1.202 176.222 177.300 0.206 0.000 1.287 600 P CA -0.622 62.557 63.100 0.132 0.000 0.824 600 P CB 1.640 33.386 31.700 0.077 0.000 1.180 601 L N 0.471 121.769 121.223 0.127 0.000 2.565 601 L HA 0.577 4.917 4.340 0.000 0.000 0.261 601 L C -1.902 175.005 176.870 0.060 0.000 0.932 601 L CA -0.329 54.587 54.840 0.127 0.000 0.878 601 L CB 1.864 43.946 42.059 0.038 0.000 1.333 601 L HN 0.264 nan 8.230 nan 0.000 0.409 602 N N 4.883 123.621 118.700 0.063 0.000 2.573 602 N HA 0.587 5.327 4.740 0.000 0.000 0.262 602 N C -2.013 173.515 175.510 0.030 0.000 1.029 602 N CA -0.161 52.909 53.050 0.033 0.000 0.882 602 N CB 0.974 39.479 38.487 0.029 0.000 1.204 602 N HN 0.715 nan 8.380 nan 0.000 0.519 603 L N 1.689 122.921 121.223 0.015 0.000 2.362 603 L HA 0.695 5.035 4.340 0.000 0.000 0.271 603 L C -0.100 176.768 176.870 -0.002 0.000 1.002 603 L CA -0.537 54.309 54.840 0.010 0.000 0.818 603 L CB 1.817 43.880 42.059 0.007 0.000 1.298 603 L HN 0.682 nan 8.230 nan 0.000 0.420 604 S N 1.854 117.549 115.700 -0.008 0.000 2.643 604 S HA 0.535 5.005 4.470 0.000 0.000 0.270 604 S C -2.630 171.954 174.600 -0.028 0.000 1.166 604 S CA -1.015 57.173 58.200 -0.020 0.000 0.815 604 S CB 1.783 64.973 63.200 -0.015 0.000 1.139 604 S HN 0.281 nan 8.310 nan 0.000 0.472 605 P HA 0.035 nan 4.420 nan 0.000 0.220 605 P C 0.858 178.141 177.300 -0.028 0.000 1.148 605 P CA 1.227 64.303 63.100 -0.040 0.000 0.803 605 P CB 0.006 31.677 31.700 -0.048 0.000 0.782 606 Q N -1.508 118.279 119.800 -0.022 0.000 2.302 606 Q HA 0.071 4.411 4.340 0.000 0.000 0.202 606 Q C 1.295 177.284 176.000 -0.018 0.000 0.936 606 Q CA 0.583 56.375 55.803 -0.019 0.000 0.886 606 Q CB 0.111 28.840 28.738 -0.015 0.000 0.986 606 Q HN 0.082 nan 8.270 nan 0.000 0.487 607 R N 1.110 121.601 120.500 -0.014 0.000 2.724 607 R HA 0.212 4.552 4.340 0.000 0.000 0.284 607 R C -0.038 176.258 176.300 -0.006 0.000 1.481 607 R CA -0.093 56.001 56.100 -0.009 0.000 1.652 607 R CB 0.203 30.502 30.300 -0.001 0.000 1.175 607 R HN 0.159 nan 8.270 nan 0.000 0.613 608 R N 1.443 121.936 120.500 -0.012 0.000 2.334 608 R HA 0.253 4.593 4.340 0.000 0.000 0.212 608 R C 0.487 176.790 176.300 0.004 0.000 0.897 608 R CA -0.006 56.090 56.100 -0.007 0.000 1.056 608 R CB 0.558 30.848 30.300 -0.016 0.000 1.046 608 R HN 0.219 nan 8.270 nan 0.000 0.513 609 M N 1.705 121.304 119.600 -0.002 0.000 2.213 609 M HA 0.386 4.866 4.480 0.000 0.000 0.286 609 M C -1.940 174.370 176.300 0.017 0.000 1.008 609 M CA -0.754 54.551 55.300 0.009 0.000 0.937 609 M CB 2.017 34.594 32.600 -0.039 0.000 1.600 609 M HN 0.036 nan 8.290 nan 0.000 0.450 610 L N 5.992 127.256 121.223 0.069 0.000 2.287 610 L HA 0.507 4.847 4.340 0.000 0.000 0.287 610 L C -0.565 176.376 176.870 0.119 0.000 1.022 610 L CA -0.959 53.934 54.840 0.087 0.000 0.814 610 L CB 1.490 43.631 42.059 0.136 0.000 1.217 610 L HN 0.604 nan 8.230 nan 0.000 0.420 611 I N 5.110 125.720 120.570 0.067 0.000 2.308 611 I HA 0.247 4.417 4.170 0.000 0.000 0.293 611 I C 0.292 176.487 176.117 0.130 0.000 1.078 611 I CA -0.130 61.226 61.300 0.094 0.000 1.292 611 I CB 0.550 38.538 38.000 -0.021 0.000 1.423 611 I HN 0.450 nan 8.210 nan 0.000 0.493 612 I N 7.030 127.713 120.570 0.189 0.000 2.331 612 I HA 0.294 4.464 4.170 0.000 0.000 0.292 612 I C 0.747 176.973 176.117 0.183 0.000 0.998 612 I CA -0.069 61.336 61.300 0.175 0.000 1.267 612 I CB 1.217 39.338 38.000 0.202 0.000 1.386 612 I HN 0.594 nan 8.210 nan 0.000 0.476 613 T N 1.952 116.620 114.554 0.189 0.000 2.883 613 T HA 0.975 5.325 4.350 0.000 0.000 0.284 613 T C -0.084 174.766 174.700 0.249 0.000 1.041 613 T CA -0.948 61.287 62.100 0.224 0.000 1.007 613 T CB 2.100 71.108 68.868 0.234 0.000 1.220 613 T HN 1.028 nan 8.240 nan 0.000 0.552 614 G N 0.591 109.559 108.800 0.279 0.000 2.321 614 G HA2 0.397 4.357 3.960 0.000 0.000 0.339 614 G HA3 0.397 4.357 3.960 0.000 0.000 0.339 614 G C -3.449 171.621 174.900 0.284 0.000 1.518 614 G CA -0.971 44.302 45.100 0.288 0.000 0.994 614 G HN 0.729 nan 8.290 nan 0.000 0.668 615 P HA 0.124 nan 4.420 nan 0.000 0.272 615 P C 0.177 177.630 177.300 0.254 0.000 1.223 615 P CA -0.441 62.843 63.100 0.306 0.000 0.784 615 P CB 0.619 32.456 31.700 0.228 0.000 0.923 616 N N 2.389 121.210 118.700 0.203 0.000 2.219 616 N HA -0.112 4.628 4.740 0.000 0.000 0.263 616 N C 0.639 176.161 175.510 0.020 0.000 1.269 616 N CA 0.764 53.876 53.050 0.103 0.000 0.831 616 N CB -0.118 38.413 38.487 0.075 0.000 1.059 616 N HN 0.458 nan 8.380 nan 0.000 0.475 617 M N 0.766 120.308 119.600 -0.098 0.000 2.818 617 M HA -0.211 4.269 4.480 0.000 0.000 0.204 617 M C 1.034 177.180 176.300 -0.258 0.000 0.552 617 M CA 0.850 55.968 55.300 -0.304 0.000 0.687 617 M CB -1.888 30.322 32.600 -0.650 0.000 2.512 617 M HN 0.642 nan 8.290 nan 0.000 0.563 618 G N -0.458 108.378 108.800 0.059 0.000 2.539 618 G HA2 0.406 4.366 3.960 0.000 0.000 0.215 618 G HA3 0.406 4.366 3.960 0.000 0.000 0.215 618 G C 1.187 176.209 174.900 0.203 0.000 1.141 618 G CA 0.703 45.931 45.100 0.213 0.000 0.806 618 G HN 1.236 nan 8.290 nan 0.000 0.533 619 G N -0.259 108.634 108.800 0.156 0.000 2.147 619 G HA2 -0.163 3.797 3.960 0.000 0.000 0.128 619 G HA3 -0.163 3.797 3.960 0.000 0.000 0.128 619 G C 0.933 175.919 174.900 0.142 0.000 1.026 619 G CA 0.470 45.660 45.100 0.151 0.000 0.693 619 G HN 0.438 nan 8.290 nan 0.000 0.499 620 K N 0.497 120.976 120.400 0.131 0.000 2.025 620 K HA 0.033 4.353 4.320 0.000 0.000 0.207 620 K C 2.543 179.252 176.600 0.182 0.000 1.049 620 K CA 1.584 57.964 56.287 0.156 0.000 0.933 620 K CB -0.198 32.383 32.500 0.135 0.000 0.714 620 K HN 0.245 nan 8.250 nan 0.000 0.438 621 S N 0.574 116.352 115.700 0.130 0.000 2.383 621 S HA -0.095 4.375 4.470 0.000 0.000 0.227 621 S C 1.990 176.684 174.600 0.156 0.000 1.026 621 S CA 1.500 59.769 58.200 0.114 0.000 0.981 621 S CB -0.251 62.990 63.200 0.069 0.000 0.818 621 S HN 0.334 nan 8.310 nan 0.000 0.472 622 T N 0.862 115.527 114.554 0.185 0.000 2.746 622 T HA -0.106 4.244 4.350 0.000 0.000 0.267 622 T C 1.550 176.445 174.700 0.324 0.000 1.039 622 T CA 1.235 63.497 62.100 0.271 0.000 1.142 622 T CB -0.454 68.554 68.868 0.234 0.000 0.866 622 T HN 0.460 nan 8.240 nan 0.000 0.444 623 Y N 1.642 122.033 120.300 0.151 0.000 2.207 623 Y HA -0.121 4.429 4.550 0.000 0.000 0.287 623 Y C 2.233 178.187 175.900 0.089 0.000 1.156 623 Y CA 1.117 59.292 58.100 0.125 0.000 1.182 623 Y CB -0.443 38.075 38.460 0.098 0.000 0.979 623 Y HN 0.159 nan 8.280 nan 0.000 0.521 624 M N -0.718 118.937 119.600 0.093 0.000 2.081 624 M HA -0.194 4.286 4.480 0.000 0.000 0.261 624 M C 2.288 178.560 176.300 -0.047 0.000 1.075 624 M CA 1.789 57.077 55.300 -0.021 0.000 1.133 624 M CB -0.497 32.133 32.600 0.051 0.000 1.330 624 M HN 0.082 nan 8.290 nan 0.000 0.414 625 R N 0.699 121.211 120.500 0.020 0.000 2.117 625 R HA -0.230 4.110 4.340 0.000 0.000 0.243 625 R C 2.305 178.508 176.300 -0.162 0.000 1.143 625 R CA 2.080 58.170 56.100 -0.017 0.000 0.968 625 R CB -0.532 29.835 30.300 0.111 0.000 0.863 625 R HN 0.600 nan 8.270 nan 0.000 0.444 626 Q N -0.346 119.356 119.800 -0.163 0.000 2.187 626 Q HA -0.047 4.293 4.340 0.000 0.000 0.199 626 Q C 1.375 177.243 176.000 -0.220 0.000 0.957 626 Q CA 1.534 57.166 55.803 -0.285 0.000 0.857 626 Q CB -0.073 28.591 28.738 -0.123 0.000 0.929 626 Q HN 0.093 nan 8.270 nan 0.000 0.453 627 T N 1.488 115.915 114.554 -0.213 0.000 2.684 627 T HA -0.139 4.211 4.350 0.000 0.000 0.267 627 T C 1.976 176.597 174.700 -0.132 0.000 1.036 627 T CA 1.741 63.721 62.100 -0.201 0.000 1.148 627 T CB -0.383 68.333 68.868 -0.253 0.000 0.863 627 T HN 0.538 nan 8.240 nan 0.000 0.436 628 A N 0.696 123.446 122.820 -0.117 0.000 1.929 628 A HA 0.118 4.438 4.320 0.000 0.000 0.216 628 A C 2.296 179.827 177.584 -0.087 0.000 1.176 628 A CA 0.969 52.959 52.037 -0.079 0.000 0.628 628 A CB -0.722 18.239 19.000 -0.065 0.000 0.816 628 A HN 0.455 nan 8.150 nan 0.000 0.444 629 L N -0.668 120.467 121.223 -0.147 0.000 2.093 629 L HA -0.134 4.206 4.340 0.000 0.000 0.208 629 L C 2.399 179.189 176.870 -0.133 0.000 1.085 629 L CA 1.039 55.782 54.840 -0.162 0.000 0.755 629 L CB -0.358 41.533 42.059 -0.280 0.000 0.904 629 L HN 0.372 nan 8.230 nan 0.000 0.435 630 I N -0.526 119.956 120.570 -0.146 0.000 2.252 630 I HA -0.284 3.886 4.170 0.000 0.000 0.245 630 I C 2.763 178.853 176.117 -0.046 0.000 1.102 630 I CA 1.112 62.335 61.300 -0.128 0.000 1.385 630 I CB -0.439 37.474 38.000 -0.143 0.000 1.064 630 I HN 0.197 nan 8.210 nan 0.000 0.414 631 A N 0.842 123.663 122.820 0.002 0.000 1.873 631 A HA -0.258 4.062 4.320 0.000 0.000 0.218 631 A C 2.391 180.099 177.584 0.207 0.000 1.193 631 A CA 1.878 53.993 52.037 0.131 0.000 0.629 631 A CB -1.034 18.025 19.000 0.099 0.000 0.826 631 A HN 0.474 nan 8.150 nan 0.000 0.447 632 L N -1.192 120.085 121.223 0.091 0.000 1.989 632 L HA -0.224 4.116 4.340 0.000 0.000 0.211 632 L C 2.740 179.673 176.870 0.104 0.000 1.071 632 L CA 2.146 57.040 54.840 0.090 0.000 0.749 632 L CB -0.254 41.811 42.059 0.010 0.000 0.890 632 L HN 0.464 nan 8.230 nan 0.000 0.431 633 M N -0.671 118.952 119.600 0.038 0.000 2.159 633 M HA -0.194 4.286 4.480 0.000 0.000 0.263 633 M C 2.352 178.687 176.300 0.057 0.000 1.063 633 M CA 1.726 57.048 55.300 0.037 0.000 1.110 633 M CB -0.467 32.110 32.600 -0.038 0.000 1.374 633 M HN 0.453 nan 8.290 nan 0.000 0.411 634 A N -0.738 122.093 122.820 0.018 0.000 1.940 634 A HA -0.185 4.135 4.320 0.000 0.000 0.219 634 A C 1.491 179.060 177.584 -0.024 0.000 1.176 634 A CA 1.539 53.546 52.037 -0.049 0.000 0.631 634 A CB -0.829 18.077 19.000 -0.156 0.000 0.814 634 A HN 0.551 nan 8.150 nan 0.000 0.446 635 Y N -0.514 119.866 120.300 0.133 0.000 2.468 635 Y HA 0.239 4.789 4.550 0.000 0.000 0.268 635 Y C 1.665 177.571 175.900 0.011 0.000 1.177 635 Y CA 0.133 58.276 58.100 0.072 0.000 1.265 635 Y CB -0.019 38.457 38.460 0.026 0.000 1.103 635 Y HN 0.502 nan 8.280 nan 0.000 0.522 636 I N -4.741 115.917 120.570 0.147 0.000 3.860 636 I HA 0.484 4.654 4.170 0.000 0.000 0.319 636 I C 1.595 177.751 176.117 0.064 0.000 1.279 636 I CA 0.835 62.187 61.300 0.086 0.000 1.220 636 I CB 0.286 38.410 38.000 0.206 0.000 1.027 636 I HN 0.047 nan 8.210 nan 0.000 0.428 637 G N 1.037 109.903 108.800 0.110 0.000 2.184 637 G HA2 -0.251 3.709 3.960 0.000 0.000 0.206 637 G HA3 -0.251 3.709 3.960 0.000 0.000 0.206 637 G C 0.354 175.385 174.900 0.217 0.000 0.995 637 G CA 0.157 45.342 45.100 0.142 0.000 0.651 637 G HN 0.562 nan 8.290 nan 0.000 0.511 638 S N -0.389 115.441 115.700 0.218 0.000 2.617 638 S HA 0.681 5.151 4.470 0.000 0.000 0.269 638 S C 0.560 175.363 174.600 0.338 0.000 1.292 638 S CA -0.588 57.770 58.200 0.265 0.000 1.010 638 S CB 0.415 63.747 63.200 0.220 0.000 0.944 638 S HN 0.264 nan 8.310 nan 0.000 0.536 639 Y N 1.416 121.785 120.300 0.114 0.000 2.330 639 Y HA 0.418 4.968 4.550 0.000 0.000 0.341 639 Y C 0.676 176.584 175.900 0.012 0.000 1.278 639 Y CA -0.810 57.350 58.100 0.099 0.000 1.453 639 Y CB 0.258 38.831 38.460 0.188 0.000 1.342 639 Y HN 0.308 nan 8.280 nan 0.000 0.590 640 V N 3.539 123.442 119.914 -0.018 0.000 2.876 640 V HA 0.341 4.461 4.120 0.000 0.000 0.312 640 V C -2.261 173.520 176.094 -0.522 0.000 1.085 640 V CA -2.124 59.970 62.300 -0.344 0.000 0.945 640 V CB 2.579 34.272 31.823 -0.217 0.000 1.017 640 V HN 0.590 nan 8.190 nan 0.000 0.428 641 P HA 0.354 nan 4.420 nan 0.000 0.237 641 P C -0.700 176.498 177.300 -0.171 0.000 1.788 641 P CA 0.321 63.135 63.100 -0.477 0.000 1.061 641 P CB 0.330 31.743 31.700 -0.477 0.000 1.967 642 A N 1.553 124.321 122.820 -0.086 0.000 2.612 642 A HA 0.281 4.601 4.320 0.000 0.000 0.293 642 A C 1.011 178.588 177.584 -0.012 0.000 1.075 642 A CA -0.512 51.500 52.037 -0.042 0.000 0.680 642 A CB 0.899 19.856 19.000 -0.072 0.000 1.279 642 A HN 0.202 nan 8.150 nan 0.000 0.411 643 Q N 0.106 119.907 119.800 0.001 0.000 2.170 643 Q HA -0.055 4.285 4.340 0.000 0.000 0.203 643 Q C 0.407 176.390 176.000 -0.027 0.000 0.976 643 Q CA 1.874 57.677 55.803 0.001 0.000 0.858 643 Q CB 0.022 28.766 28.738 0.010 0.000 0.907 643 Q HN 0.544 nan 8.270 nan 0.000 0.433 644 K N -1.112 119.260 120.400 -0.046 0.000 2.589 644 K HA 0.370 4.691 4.320 0.000 0.000 0.265 644 K C -2.135 174.411 176.600 -0.091 0.000 0.935 644 K CA -0.537 55.705 56.287 -0.075 0.000 0.850 644 K CB 2.110 34.575 32.500 -0.059 0.000 1.372 644 K HN -0.086 nan 8.250 nan 0.000 0.420 645 V N 2.960 122.794 119.914 -0.133 0.000 2.612 645 V HA 0.338 4.458 4.120 0.000 0.000 0.301 645 V C -1.184 174.801 176.094 -0.181 0.000 1.059 645 V CA -0.729 61.485 62.300 -0.144 0.000 0.886 645 V CB 1.891 33.614 31.823 -0.167 0.000 1.007 645 V HN 0.770 nan 8.190 nan 0.000 0.426 646 E N 4.336 124.456 120.200 -0.135 0.000 2.171 646 E HA 0.686 5.036 4.350 0.000 0.000 0.271 646 E C -1.154 175.393 176.600 -0.089 0.000 0.916 646 E CA -0.548 55.771 56.400 -0.135 0.000 0.774 646 E CB 3.059 32.709 29.700 -0.083 0.000 1.128 646 E HN 0.571 nan 8.360 nan 0.000 0.403 647 I N 1.711 122.236 120.570 -0.076 0.000 2.656 647 I HA 0.461 4.631 4.170 0.000 0.000 0.292 647 I C -0.113 176.110 176.117 0.177 0.000 1.144 647 I CA -0.458 60.869 61.300 0.045 0.000 1.038 647 I CB 1.625 39.656 38.000 0.051 0.000 1.244 647 I HN 0.623 nan 8.210 nan 0.000 0.420 648 G N 5.929 114.831 108.800 0.169 0.000 2.537 648 G HA2 0.590 4.550 3.960 0.000 0.000 0.297 648 G HA3 0.590 4.550 3.960 0.000 0.000 0.297 648 G C -2.820 172.242 174.900 0.269 0.000 1.310 648 G CA -1.237 43.966 45.100 0.171 0.000 1.027 648 G HN 0.385 nan 8.290 nan 0.000 0.505 649 P HA 0.307 nan 4.420 nan 0.000 0.271 649 P C -0.686 176.690 177.300 0.128 0.000 1.216 649 P CA 0.175 63.399 63.100 0.208 0.000 0.776 649 P CB 1.240 33.105 31.700 0.275 0.000 0.881 650 I N 2.536 123.076 120.570 -0.049 0.000 2.478 650 I HA 0.137 4.307 4.170 0.000 0.000 0.287 650 I C 1.017 177.061 176.117 -0.122 0.000 1.042 650 I CA -0.573 60.683 61.300 -0.072 0.000 1.067 650 I CB 2.307 40.202 38.000 -0.175 0.000 1.233 650 I HN 0.350 nan 8.210 nan 0.000 0.431 651 D N 5.981 126.381 120.400 0.001 0.000 2.197 651 D HA 0.029 4.669 4.640 0.000 0.000 0.212 651 D C 0.591 176.834 176.300 -0.095 0.000 0.963 651 D CA 0.851 54.817 54.000 -0.056 0.000 0.864 651 D CB 0.434 41.213 40.800 -0.034 0.000 1.009 651 D HN 0.399 nan 8.370 nan 0.000 0.479 652 R N -0.450 120.009 120.500 -0.069 0.000 2.771 652 R HA 0.678 5.018 4.340 0.000 0.000 0.274 652 R C -0.839 175.327 176.300 -0.224 0.000 0.987 652 R CA -0.790 55.182 56.100 -0.214 0.000 0.908 652 R CB 2.527 32.647 30.300 -0.301 0.000 1.213 652 R HN 0.005 nan 8.270 nan 0.000 0.468 653 I N 2.081 122.435 120.570 -0.359 0.000 2.436 653 I HA 0.412 4.582 4.170 0.000 0.000 0.289 653 I C -0.947 174.915 176.117 -0.425 0.000 1.010 653 I CA -0.598 60.559 61.300 -0.238 0.000 1.098 653 I CB 1.254 39.174 38.000 -0.133 0.000 1.266 653 I HN 0.324 nan 8.210 nan 0.000 0.434 654 F N 2.881 122.824 119.950 -0.011 0.000 2.522 654 F HA 0.635 5.162 4.527 0.000 0.000 0.324 654 F C 0.263 176.052 175.800 -0.019 0.000 1.077 654 F CA -0.522 57.471 58.000 -0.012 0.000 0.944 654 F CB 2.374 41.370 39.000 -0.007 0.000 1.175 654 F HN 0.238 nan 8.300 nan 0.000 0.468 655 T N 2.939 117.589 114.554 0.159 0.000 2.952 655 T HA 0.471 4.821 4.350 0.000 0.000 0.305 655 T C -1.119 173.613 174.700 0.052 0.000 1.064 655 T CA -0.878 61.265 62.100 0.071 0.000 1.008 655 T CB 1.914 70.799 68.868 0.029 0.000 1.078 655 T HN 0.338 nan 8.240 nan 0.000 0.459 656 R N 2.464 122.968 120.500 0.007 0.000 2.500 656 R HA 0.522 4.862 4.340 0.000 0.000 0.299 656 R C -1.712 174.564 176.300 -0.040 0.000 1.038 656 R CA -0.493 55.596 56.100 -0.018 0.000 0.903 656 R CB 1.651 31.928 30.300 -0.038 0.000 1.177 656 R HN 0.495 nan 8.270 nan 0.000 0.455 657 V N 4.011 123.909 119.914 -0.026 0.000 2.266 657 V HA 0.378 4.498 4.120 0.000 0.000 0.271 657 V C 1.036 177.116 176.094 -0.024 0.000 1.032 657 V CA -0.728 61.556 62.300 -0.027 0.000 0.806 657 V CB 1.214 33.029 31.823 -0.014 0.000 1.052 657 V HN 0.821 nan 8.190 nan 0.000 0.449 671 M N 1.976 121.612 119.600 0.060 0.000 2.394 671 M HA 0.131 4.611 4.480 0.000 0.000 0.264 671 M C 1.366 177.568 176.300 -0.164 0.000 1.073 671 M CA 1.330 56.620 55.300 -0.016 0.000 1.111 671 M CB -0.147 32.495 32.600 0.070 0.000 1.401 671 M HN 0.320 nan 8.290 nan 0.000 0.448 672 V N -0.138 119.530 119.914 -0.409 0.000 2.379 672 V HA -0.211 3.910 4.120 0.000 0.000 0.245 672 V C 2.219 178.203 176.094 -0.184 0.000 1.044 672 V CA 2.031 64.133 62.300 -0.331 0.000 1.036 672 V CB -0.781 30.747 31.823 -0.493 0.000 0.664 672 V HN 0.599 nan 8.190 nan 0.000 0.453 673 E N -0.298 119.806 120.200 -0.159 0.000 2.118 673 E HA -0.244 4.106 4.350 0.000 0.000 0.195 673 E C 2.230 178.809 176.600 -0.035 0.000 0.992 673 E CA 1.431 57.789 56.400 -0.069 0.000 0.804 673 E CB -0.039 29.646 29.700 -0.025 0.000 0.741 673 E HN 0.362 nan 8.360 nan 0.000 0.458 674 M N 0.090 119.673 119.600 -0.028 0.000 2.236 674 M HA -0.040 4.440 4.480 0.000 0.000 0.266 674 M C 2.258 178.550 176.300 -0.014 0.000 1.070 674 M CA 1.200 56.497 55.300 -0.005 0.000 1.137 674 M CB -0.680 31.928 32.600 0.015 0.000 1.378 674 M HN 0.113 nan 8.290 nan 0.000 0.426 675 T N 0.525 115.065 114.554 -0.024 0.000 2.746 675 T HA -0.137 4.213 4.350 0.000 0.000 0.267 675 T C 1.771 176.465 174.700 -0.010 0.000 1.039 675 T CA 1.317 63.410 62.100 -0.011 0.000 1.142 675 T CB -0.103 68.751 68.868 -0.023 0.000 0.866 675 T HN 0.425 nan 8.240 nan 0.000 0.444 676 E N 0.518 120.703 120.200 -0.024 0.000 2.031 676 E HA -0.125 4.225 4.350 0.000 0.000 0.193 676 E C 2.478 179.069 176.600 -0.016 0.000 0.994 676 E CA 1.484 57.878 56.400 -0.010 0.000 0.800 676 E CB -0.241 29.449 29.700 -0.017 0.000 0.752 676 E HN 0.357 nan 8.360 nan 0.000 0.447 677 T N 0.811 115.347 114.554 -0.030 0.000 2.778 677 T HA -0.219 4.131 4.350 0.000 0.000 0.269 677 T C 1.836 176.477 174.700 -0.099 0.000 1.050 677 T CA 1.295 63.365 62.100 -0.050 0.000 1.137 677 T CB -0.191 68.664 68.868 -0.022 0.000 0.860 677 T HN 0.259 nan 8.240 nan 0.000 0.468 678 A N 1.653 124.418 122.820 -0.091 0.000 1.897 678 A HA -0.056 4.264 4.320 0.000 0.000 0.215 678 A C 2.136 179.617 177.584 -0.171 0.000 1.181 678 A CA 1.754 53.684 52.037 -0.179 0.000 0.620 678 A CB -0.778 18.188 19.000 -0.058 0.000 0.821 678 A HN 0.544 nan 8.150 nan 0.000 0.443 679 N N 0.254 118.947 118.700 -0.012 0.000 2.104 679 N HA -0.140 4.600 4.740 0.000 0.000 0.190 679 N C 1.471 176.930 175.510 -0.085 0.000 1.024 679 N CA 1.927 55.009 53.050 0.053 0.000 0.853 679 N CB -0.390 38.150 38.487 0.089 0.000 1.008 679 N HN 0.522 nan 8.380 nan 0.000 0.424 680 I N 0.137 120.582 120.570 -0.208 0.000 2.113 680 I HA -0.270 3.900 4.170 0.000 0.000 0.238 680 I C 2.009 177.856 176.117 -0.450 0.000 1.070 680 I CA 0.994 61.975 61.300 -0.532 0.000 1.332 680 I CB -0.366 37.407 38.000 -0.379 0.000 1.044 680 I HN 0.201 nan 8.210 nan 0.000 0.402 681 L N -0.320 120.713 121.223 -0.316 0.000 2.187 681 L HA -0.261 4.079 4.340 0.000 0.000 0.213 681 L C 2.285 179.015 176.870 -0.233 0.000 1.100 681 L CA 1.518 56.187 54.840 -0.286 0.000 0.765 681 L CB -0.764 41.108 42.059 -0.312 0.000 0.904 681 L HN 0.373 nan 8.230 nan 0.000 0.437 682 H N -1.591 117.415 119.070 -0.107 0.000 2.497 682 H HA 0.083 4.639 4.556 0.000 0.000 0.282 682 H C 1.470 176.765 175.328 -0.054 0.000 1.003 682 H CA 0.561 56.573 56.048 -0.060 0.000 1.307 682 H CB 0.463 30.205 29.762 -0.033 0.000 1.437 682 H HN 0.279 nan 8.280 nan 0.000 0.544 683 N N 0.116 118.824 118.700 0.014 0.000 2.181 683 N HA 0.163 4.903 4.740 0.000 0.000 0.207 683 N C -0.003 175.536 175.510 0.048 0.000 1.182 683 N CA 0.125 53.213 53.050 0.063 0.000 0.893 683 N CB 1.196 39.794 38.487 0.186 0.000 1.032 683 N HN 0.080 nan 8.380 nan 0.000 0.513 684 A N 1.311 124.013 122.820 -0.197 0.000 2.371 684 A HA 0.503 4.823 4.320 0.000 0.000 0.257 684 A C 0.826 178.430 177.584 0.034 0.000 1.089 684 A CA -0.002 51.973 52.037 -0.104 0.000 0.794 684 A CB 0.365 19.156 19.000 -0.348 0.000 1.029 684 A HN 0.214 nan 8.150 nan 0.000 0.488 685 T N -1.404 113.224 114.554 0.123 0.000 2.807 685 T HA 0.433 4.783 4.350 0.000 0.000 0.277 685 T C 0.525 175.322 174.700 0.163 0.000 1.006 685 T CA -0.267 61.910 62.100 0.128 0.000 1.006 685 T CB 0.818 69.764 68.868 0.130 0.000 1.274 685 T HN 0.591 nan 8.240 nan 0.000 0.569 686 E N -0.379 119.946 120.200 0.209 0.000 2.401 686 E HA -0.097 4.253 4.350 0.000 0.000 0.199 686 E C 0.352 177.034 176.600 0.137 0.000 1.023 686 E CA 1.063 57.561 56.400 0.163 0.000 0.859 686 E CB -0.286 29.503 29.700 0.149 0.000 0.780 686 E HN 0.629 nan 8.360 nan 0.000 0.523 687 Y N 0.508 120.828 120.300 0.033 0.000 2.467 687 Y HA 0.193 4.743 4.550 0.000 0.000 0.250 687 Y C 0.680 176.600 175.900 0.034 0.000 1.155 687 Y CA -0.292 57.822 58.100 0.025 0.000 1.249 687 Y CB 0.696 39.160 38.460 0.007 0.000 1.146 687 Y HN -0.204 nan 8.280 nan 0.000 0.524 688 S N 0.951 116.773 115.700 0.203 0.000 2.585 688 S HA 0.414 4.884 4.470 0.000 0.000 0.277 688 S C -0.878 173.813 174.600 0.152 0.000 1.241 688 S CA -0.561 57.762 58.200 0.204 0.000 1.041 688 S CB 1.544 64.953 63.200 0.348 0.000 0.987 688 S HN 0.135 nan 8.310 nan 0.000 0.512 689 L N 3.790 125.095 121.223 0.136 0.000 2.276 689 L HA 0.545 4.885 4.340 0.000 0.000 0.286 689 L C -1.148 175.817 176.870 0.158 0.000 1.024 689 L CA -0.247 54.653 54.840 0.101 0.000 0.826 689 L CB 0.763 42.849 42.059 0.045 0.000 1.211 689 L HN 0.421 nan 8.230 nan 0.000 0.422 690 V N 6.792 126.794 119.914 0.147 0.000 2.370 690 V HA 0.412 4.532 4.120 0.000 0.000 0.283 690 V C -0.074 176.074 176.094 0.091 0.000 1.023 690 V CA -0.517 61.877 62.300 0.155 0.000 0.857 690 V CB 1.508 33.397 31.823 0.110 0.000 0.985 690 V HN 0.548 nan 8.190 nan 0.000 0.443 691 L N 6.029 127.292 121.223 0.068 0.000 2.295 691 L HA 0.566 4.906 4.340 0.000 0.000 0.281 691 L C -0.519 176.322 176.870 -0.048 0.000 1.018 691 L CA -0.381 54.468 54.840 0.016 0.000 0.841 691 L CB 1.276 43.343 42.059 0.013 0.000 1.218 691 L HN 0.431 nan 8.230 nan 0.000 0.424 692 M N 2.911 122.415 119.600 -0.160 0.000 2.129 692 M HA 0.301 4.781 4.480 0.000 0.000 0.348 692 M C -0.653 175.440 176.300 -0.344 0.000 1.116 692 M CA -0.405 54.678 55.300 -0.362 0.000 1.022 692 M CB 1.296 33.374 32.600 -0.870 0.000 1.599 692 M HN 0.297 nan 8.290 nan 0.000 0.449 693 D N 4.278 124.555 120.400 -0.204 0.000 2.462 693 D HA 0.248 4.888 4.640 0.000 0.000 0.249 693 D C -0.303 175.946 176.300 -0.085 0.000 1.117 693 D CA 0.289 54.224 54.000 -0.108 0.000 0.900 693 D CB 0.479 41.252 40.800 -0.044 0.000 1.039 693 D HN 0.694 nan 8.370 nan 0.000 0.516 694 E N 1.403 121.562 120.200 -0.068 0.000 2.320 694 E HA -0.230 4.120 4.350 0.000 0.000 0.234 694 E C 0.711 177.334 176.600 0.038 0.000 1.183 694 E CA 0.240 56.657 56.400 0.029 0.000 0.713 694 E CB -1.800 27.898 29.700 -0.002 0.000 1.226 694 E HN 0.645 nan 8.360 nan 0.000 0.382 695 I N -2.461 118.101 120.570 -0.013 0.000 3.378 695 I HA 0.539 4.709 4.170 0.000 0.000 0.284 695 I C 1.006 177.262 176.117 0.231 0.000 1.157 695 I CA 0.455 61.789 61.300 0.057 0.000 1.193 695 I CB 0.722 38.709 38.000 -0.023 0.000 1.461 695 I HN 0.149 nan 8.210 nan 0.000 0.674 696 G N 1.934 110.871 108.800 0.227 0.000 3.081 696 G HA2 -0.117 3.843 3.960 0.000 0.000 0.603 696 G HA3 -0.117 3.843 3.960 0.000 0.000 0.603 696 G C -0.645 174.446 174.900 0.319 0.000 1.106 696 G CA -0.766 44.513 45.100 0.298 0.000 1.001 696 G HN 0.829 nan 8.290 nan 0.000 0.445 697 R N 0.972 121.599 120.500 0.210 0.000 2.575 697 R HA 0.742 5.082 4.340 0.000 0.000 0.293 697 R C 0.521 176.905 176.300 0.140 0.000 0.983 697 R CA -0.192 56.023 56.100 0.192 0.000 0.887 697 R CB 2.245 32.639 30.300 0.156 0.000 1.184 697 R HN 0.828 nan 8.270 nan 0.000 0.445 698 G N -0.572 108.305 108.800 0.127 0.000 3.211 698 G HA2 0.295 4.255 3.960 0.000 0.000 0.262 698 G HA3 0.295 4.255 3.960 0.000 0.000 0.262 698 G C 0.512 175.458 174.900 0.076 0.000 1.352 698 G CA -0.293 44.861 45.100 0.089 0.000 1.004 698 G HN 0.481 nan 8.290 nan 0.000 0.559 699 T N -3.400 111.187 114.554 0.056 0.000 3.022 699 T HA 0.376 4.726 4.350 0.000 0.000 0.250 699 T C 0.984 175.702 174.700 0.030 0.000 1.060 699 T CA 0.845 62.971 62.100 0.044 0.000 1.013 699 T CB 0.255 69.146 68.868 0.039 0.000 0.982 699 T HN 0.492 nan 8.240 nan 0.000 0.508 700 S N -0.473 115.242 115.700 0.024 0.000 2.841 700 S HA 0.487 4.957 4.470 0.000 0.000 0.318 700 S C 1.252 175.831 174.600 -0.034 0.000 1.127 700 S CA -0.201 58.000 58.200 0.001 0.000 0.883 700 S CB 1.219 64.426 63.200 0.011 0.000 1.271 700 S HN 0.226 nan 8.310 nan 0.000 0.567 701 T N 1.107 115.595 114.554 -0.109 0.000 2.635 701 T HA -0.110 4.240 4.350 0.000 0.000 0.267 701 T C 0.828 175.301 174.700 -0.379 0.000 1.040 701 T CA 2.049 63.963 62.100 -0.310 0.000 1.156 701 T CB -0.458 68.091 68.868 -0.532 0.000 0.863 701 T HN 0.633 nan 8.240 nan 0.000 0.430 702 Y N -0.024 120.245 120.300 -0.051 0.000 2.444 702 Y HA 0.248 4.798 4.550 0.000 0.000 0.252 702 Y C 1.908 177.744 175.900 -0.107 0.000 1.091 702 Y CA -0.906 57.126 58.100 -0.114 0.000 1.276 702 Y CB -0.301 38.090 38.460 -0.114 0.000 1.170 702 Y HN 0.068 nan 8.280 nan 0.000 0.517 703 D N 0.518 120.963 120.400 0.075 0.000 2.412 703 D HA -0.273 4.367 4.640 0.000 0.000 0.191 703 D C 2.410 178.733 176.300 0.038 0.000 1.019 703 D CA 2.358 56.386 54.000 0.046 0.000 0.866 703 D CB -0.562 40.264 40.800 0.044 0.000 0.966 703 D HN 0.396 nan 8.370 nan 0.000 0.459 704 G N -0.380 108.443 108.800 0.039 0.000 2.403 704 G HA2 -0.149 3.811 3.960 0.000 0.000 0.216 704 G HA3 -0.149 3.811 3.960 0.000 0.000 0.216 704 G C 1.655 176.569 174.900 0.024 0.000 1.154 704 G CA 0.882 46.032 45.100 0.082 0.000 0.784 704 G HN 0.416 nan 8.290 nan 0.000 0.538 705 L N 0.950 122.042 121.223 -0.218 0.000 2.141 705 L HA 0.087 4.427 4.340 0.000 0.000 0.209 705 L C 2.580 179.419 176.870 -0.052 0.000 1.094 705 L CA 2.356 56.938 54.840 -0.430 0.000 0.763 705 L CB -0.512 41.073 42.059 -0.789 0.000 0.908 705 L HN 0.099 nan 8.230 nan 0.000 0.437 706 S N -0.224 115.464 115.700 -0.020 0.000 2.402 706 S HA -0.080 4.390 4.470 0.000 0.000 0.229 706 S C 1.930 176.595 174.600 0.109 0.000 1.021 706 S CA 1.496 59.704 58.200 0.014 0.000 0.974 706 S CB -0.477 62.700 63.200 -0.038 0.000 0.800 706 S HN 0.478 nan 8.310 nan 0.000 0.484 707 L N 1.061 122.345 121.223 0.102 0.000 2.056 707 L HA -0.094 4.246 4.340 0.000 0.000 0.207 707 L C 2.687 179.662 176.870 0.176 0.000 1.078 707 L CA 1.227 56.140 54.840 0.122 0.000 0.749 707 L CB -0.514 41.609 42.059 0.107 0.000 0.901 707 L HN 0.350 nan 8.230 nan 0.000 0.433 708 A N -0.855 122.101 122.820 0.226 0.000 1.972 708 A HA -0.261 4.059 4.320 0.000 0.000 0.219 708 A C 2.098 179.834 177.584 0.254 0.000 1.169 708 A CA 1.334 53.573 52.037 0.336 0.000 0.635 708 A CB -0.865 18.408 19.000 0.456 0.000 0.810 708 A HN 0.721 nan 8.150 nan 0.000 0.446 709 W N 0.719 122.028 121.300 0.016 0.000 2.408 709 W HA -0.036 4.624 4.660 0.000 0.000 0.311 709 W C 2.231 178.708 176.519 -0.070 0.000 1.190 709 W CA 1.691 58.996 57.345 -0.068 0.000 1.321 709 W CB -0.607 28.808 29.460 -0.074 0.000 1.143 709 W HN 0.385 nan 8.180 nan 0.000 0.501 710 A N 0.328 123.336 122.820 0.313 0.000 1.978 710 A HA -0.232 4.088 4.320 0.000 0.000 0.220 710 A C 2.181 179.793 177.584 0.048 0.000 1.170 710 A CA 1.979 54.120 52.037 0.173 0.000 0.636 710 A CB -1.448 17.637 19.000 0.143 0.000 0.810 710 A HN 0.366 nan 8.150 nan 0.000 0.448 711 C N -1.304 118.034 119.300 0.064 0.000 2.446 711 C HA 0.092 4.552 4.460 0.000 0.000 0.277 711 C C 3.337 178.325 174.990 -0.002 0.000 1.275 711 C CA 0.741 59.794 59.018 0.059 0.000 1.727 711 C CB -1.245 26.587 27.740 0.153 0.000 2.010 711 C HN 0.716 nan 8.230 nan 0.000 0.486 712 A N 0.168 122.907 122.820 -0.134 0.000 1.902 712 A HA -0.232 4.088 4.320 0.000 0.000 0.217 712 A C 2.046 179.456 177.584 -0.291 0.000 1.181 712 A CA 1.802 53.610 52.037 -0.381 0.000 0.623 712 A CB -0.648 17.833 19.000 -0.865 0.000 0.818 712 A HN 0.705 nan 8.150 nan 0.000 0.443 713 E N -0.562 119.470 120.200 -0.280 0.000 2.085 713 E HA -0.211 4.139 4.350 0.000 0.000 0.194 713 E C 2.030 178.565 176.600 -0.109 0.000 0.994 713 E CA 1.099 57.378 56.400 -0.201 0.000 0.801 713 E CB -0.191 29.435 29.700 -0.124 0.000 0.743 713 E HN 0.670 nan 8.360 nan 0.000 0.453 714 N N 0.577 119.233 118.700 -0.073 0.000 2.188 714 N HA -0.133 4.607 4.740 0.000 0.000 0.184 714 N C 1.984 177.463 175.510 -0.051 0.000 1.018 714 N CA 0.653 53.674 53.050 -0.048 0.000 0.858 714 N CB 0.043 38.508 38.487 -0.038 0.000 0.989 714 N HN 0.150 nan 8.380 nan 0.000 0.426 715 L N 0.590 121.780 121.223 -0.055 0.000 2.056 715 L HA -0.083 4.257 4.340 0.000 0.000 0.207 715 L C 2.567 179.410 176.870 -0.045 0.000 1.078 715 L CA 1.157 55.974 54.840 -0.038 0.000 0.749 715 L CB -0.352 41.709 42.059 0.003 0.000 0.901 715 L HN 0.139 nan 8.230 nan 0.000 0.433 716 A N 0.507 123.279 122.820 -0.080 0.000 1.854 716 A HA -0.227 4.093 4.320 0.000 0.000 0.214 716 A C 1.984 179.532 177.584 -0.060 0.000 1.192 716 A CA 2.079 54.067 52.037 -0.082 0.000 0.611 716 A CB -0.639 18.282 19.000 -0.133 0.000 0.832 716 A HN 0.556 nan 8.150 nan 0.000 0.442 717 N N -2.008 116.655 118.700 -0.061 0.000 2.415 717 N HA 0.027 4.767 4.740 0.000 0.000 0.174 717 N C 1.424 176.918 175.510 -0.025 0.000 1.048 717 N CA 1.090 54.114 53.050 -0.043 0.000 0.895 717 N CB 0.020 38.480 38.487 -0.046 0.000 1.036 717 N HN 0.372 nan 8.380 nan 0.000 0.449 718 K N -0.656 119.730 120.400 -0.024 0.000 2.329 718 K HA 0.362 4.682 4.320 0.000 0.000 0.198 718 K C 1.349 177.945 176.600 -0.006 0.000 1.085 718 K CA 0.233 56.513 56.287 -0.012 0.000 0.961 718 K CB 0.424 32.918 32.500 -0.011 0.000 0.971 718 K HN 0.099 nan 8.250 nan 0.000 0.502 719 I N 1.028 121.590 120.570 -0.013 0.000 2.731 719 I HA -0.075 4.095 4.170 0.000 0.000 0.260 719 I C 0.066 176.188 176.117 0.009 0.000 1.138 719 I CA 0.462 61.759 61.300 -0.005 0.000 1.461 719 I CB 0.226 38.212 38.000 -0.024 0.000 1.128 719 I HN 0.037 nan 8.210 nan 0.000 0.438 720 K N 0.525 120.924 120.400 -0.003 0.000 3.088 720 K HA -0.192 4.129 4.320 0.000 0.000 0.273 720 K C 0.275 176.879 176.600 0.007 0.000 1.111 720 K CA 0.326 56.612 56.287 -0.002 0.000 0.803 720 K CB -2.043 30.457 32.500 0.001 0.000 1.226 720 K HN 0.398 nan 8.250 nan 0.000 0.485 721 A N 0.776 123.606 122.820 0.017 0.000 2.280 721 A HA 0.487 4.807 4.320 0.000 0.000 0.268 721 A C 0.543 178.143 177.584 0.027 0.000 1.111 721 A CA -0.444 51.614 52.037 0.035 0.000 0.814 721 A CB 0.351 19.381 19.000 0.051 0.000 1.093 721 A HN 0.299 nan 8.150 nan 0.000 0.498 722 L N 1.664 122.909 121.223 0.036 0.000 2.312 722 L HA 0.273 4.614 4.340 0.000 0.000 0.287 722 L C -0.232 176.671 176.870 0.056 0.000 1.091 722 L CA -0.027 54.833 54.840 0.032 0.000 0.846 722 L CB 0.054 42.126 42.059 0.020 0.000 1.219 722 L HN 0.620 nan 8.230 nan 0.000 0.439 723 T N 4.308 118.901 114.554 0.064 0.000 2.823 723 T HA 0.578 4.928 4.350 0.000 0.000 0.279 723 T C -0.034 174.737 174.700 0.118 0.000 0.998 723 T CA -0.469 61.694 62.100 0.104 0.000 0.994 723 T CB 1.745 70.697 68.868 0.140 0.000 0.960 723 T HN 0.283 nan 8.240 nan 0.000 0.448 724 L N 3.053 124.347 121.223 0.119 0.000 2.307 724 L HA 0.580 4.920 4.340 0.000 0.000 0.284 724 L C -0.899 176.080 176.870 0.181 0.000 1.023 724 L CA -0.777 54.148 54.840 0.142 0.000 0.810 724 L CB 1.194 43.304 42.059 0.085 0.000 1.231 724 L HN 0.624 nan 8.230 nan 0.000 0.423 725 F N 2.990 122.978 119.950 0.063 0.000 2.660 725 F HA 0.517 5.044 4.527 0.000 0.000 0.352 725 F C 0.513 176.362 175.800 0.081 0.000 1.257 725 F CA -0.646 57.389 58.000 0.058 0.000 1.200 725 F CB 0.833 39.849 39.000 0.026 0.000 1.473 725 F HN 0.488 nan 8.300 nan 0.000 0.561 726 A N 2.304 125.199 122.820 0.125 0.000 2.477 726 A HA 0.612 4.932 4.320 0.000 0.000 0.246 726 A C -0.021 177.661 177.584 0.164 0.000 1.078 726 A CA 0.348 52.477 52.037 0.152 0.000 0.770 726 A CB 0.080 19.144 19.000 0.106 0.000 1.011 726 A HN 0.550 nan 8.150 nan 0.000 0.494 727 T N 0.911 115.595 114.554 0.217 0.000 2.933 727 T HA 0.434 4.784 4.350 0.000 0.000 0.305 727 T C 0.489 175.305 174.700 0.192 0.000 1.092 727 T CA 0.037 62.266 62.100 0.213 0.000 1.008 727 T CB 1.318 70.360 68.868 0.291 0.000 1.102 727 T HN 0.822 nan 8.240 nan 0.000 0.469 728 H N -0.484 118.546 119.070 -0.067 0.000 2.535 728 H HA 0.194 4.750 4.556 0.000 0.000 0.273 728 H C -0.368 174.990 175.328 0.049 0.000 0.983 728 H CA 0.121 56.139 56.048 -0.050 0.000 1.238 728 H CB -0.198 29.475 29.762 -0.149 0.000 1.412 728 H HN 0.414 nan 8.280 nan 0.000 0.562 729 Y N 1.018 121.256 120.300 -0.102 0.000 2.613 729 Y HA 0.059 4.609 4.550 0.000 0.000 0.354 729 Y C 0.663 176.655 175.900 0.154 0.000 1.063 729 Y CA -1.285 56.803 58.100 -0.019 0.000 1.384 729 Y CB -0.429 38.010 38.460 -0.035 0.000 1.199 729 Y HN 0.181 nan 8.280 nan 0.000 0.517 730 F N 1.666 121.733 119.950 0.195 0.000 2.307 730 F HA -0.220 4.307 4.527 0.000 0.000 0.301 730 F C 1.602 177.495 175.800 0.155 0.000 1.076 730 F CA 1.510 59.596 58.000 0.142 0.000 1.383 730 F CB 0.106 39.162 39.000 0.093 0.000 1.055 730 F HN 0.474 nan 8.300 nan 0.000 0.526 731 E N 0.132 120.498 120.200 0.276 0.000 2.153 731 E HA -0.187 4.163 4.350 0.000 0.000 0.194 731 E C 2.120 178.875 176.600 0.259 0.000 0.988 731 E CA 1.140 57.663 56.400 0.204 0.000 0.811 731 E CB -0.393 29.409 29.700 0.170 0.000 0.746 731 E HN 0.425 nan 8.360 nan 0.000 0.466 732 L N 0.963 122.327 121.223 0.236 0.000 2.549 732 L HA -0.073 4.267 4.340 0.000 0.000 0.229 732 L C 2.063 178.889 176.870 -0.074 0.000 1.158 732 L CA 1.291 56.201 54.840 0.116 0.000 0.842 732 L CB -0.874 41.226 42.059 0.068 0.000 0.952 732 L HN 0.324 nan 8.230 nan 0.000 0.452 733 T N -4.544 109.927 114.554 -0.139 0.000 3.118 733 T HA -0.160 4.190 4.350 0.000 0.000 0.260 733 T C 1.572 176.176 174.700 -0.160 0.000 1.139 733 T CA 0.436 62.396 62.100 -0.234 0.000 1.085 733 T CB 0.029 68.603 68.868 -0.490 0.000 0.934 733 T HN 0.201 nan 8.240 nan 0.000 0.518 734 Q N -0.252 119.521 119.800 -0.045 0.000 2.444 734 Q HA 0.381 4.721 4.340 0.000 0.000 0.206 734 Q C 1.790 177.796 176.000 0.011 0.000 0.948 734 Q CA 0.130 55.962 55.803 0.049 0.000 0.946 734 Q CB -0.365 28.490 28.738 0.195 0.000 1.027 734 Q HN 0.544 nan 8.270 nan 0.000 0.513 735 L N 0.043 121.149 121.223 -0.193 0.000 2.072 735 L HA -0.077 4.263 4.340 0.000 0.000 0.205 735 L C -0.955 175.776 176.870 -0.232 0.000 1.079 735 L CA 0.924 55.522 54.840 -0.403 0.000 0.752 735 L CB -0.693 40.976 42.059 -0.649 0.000 0.906 735 L HN 0.207 nan 8.230 nan 0.000 0.436 736 P HA -0.217 nan 4.420 nan 0.000 0.216 736 P C 1.225 178.483 177.300 -0.070 0.000 1.153 736 P CA 1.359 64.394 63.100 -0.108 0.000 0.858 736 P CB 0.058 31.710 31.700 -0.080 0.000 0.789 737 E N -0.489 119.682 120.200 -0.049 0.000 2.086 737 E HA -0.238 4.112 4.350 0.000 0.000 0.200 737 E C 1.665 178.257 176.600 -0.012 0.000 1.012 737 E CA 1.263 57.652 56.400 -0.019 0.000 0.812 737 E CB -0.092 29.610 29.700 0.003 0.000 0.743 737 E HN 0.155 nan 8.360 nan 0.000 0.453 738 K N -0.826 119.568 120.400 -0.011 0.000 2.323 738 K HA 0.101 4.421 4.320 0.000 0.000 0.197 738 K C 0.433 177.017 176.600 -0.027 0.000 1.043 738 K CA 0.204 56.497 56.287 0.011 0.000 0.997 738 K CB 0.423 32.975 32.500 0.087 0.000 0.807 738 K HN 0.076 nan 8.250 nan 0.000 0.497 739 M N 1.347 120.904 119.600 -0.073 0.000 2.204 739 M HA 0.177 4.657 4.480 0.000 0.000 0.293 739 M C -0.705 175.546 176.300 -0.082 0.000 0.994 739 M CA -0.531 54.713 55.300 -0.094 0.000 0.925 739 M CB 1.905 34.402 32.600 -0.172 0.000 1.577 739 M HN -0.104 nan 8.290 nan 0.000 0.439 740 E N 2.321 122.485 120.200 -0.060 0.000 2.415 740 E HA 0.312 4.662 4.350 0.000 0.000 0.262 740 E C 0.812 177.378 176.600 -0.058 0.000 1.038 740 E CA 1.703 58.074 56.400 -0.049 0.000 0.921 740 E CB 0.482 30.162 29.700 -0.035 0.000 0.950 740 E HN 0.993 nan 8.360 nan 0.000 0.438 741 G N 2.524 111.295 108.800 -0.048 0.000 2.205 741 G HA2 -0.261 3.699 3.960 0.000 0.000 0.261 741 G HA3 -0.261 3.699 3.960 0.000 0.000 0.261 741 G C 0.071 174.938 174.900 -0.055 0.000 0.980 741 G CA 0.395 45.468 45.100 -0.046 0.000 0.632 741 G HN 0.449 nan 8.290 nan 0.000 0.533 742 V N 0.350 120.218 119.914 -0.076 0.000 2.547 742 V HA 0.921 5.041 4.120 0.000 0.000 0.299 742 V C 0.467 176.518 176.094 -0.071 0.000 1.040 742 V CA -0.083 62.160 62.300 -0.094 0.000 0.913 742 V CB 1.545 33.270 31.823 -0.164 0.000 0.992 742 V HN 1.461 nan 8.190 nan 0.000 0.449 743 A N 3.317 126.105 122.820 -0.052 0.000 2.594 743 A HA 0.774 5.094 4.320 0.000 0.000 0.291 743 A C -1.051 176.523 177.584 -0.017 0.000 1.105 743 A CA -0.839 51.180 52.037 -0.030 0.000 0.694 743 A CB 1.611 20.607 19.000 -0.007 0.000 1.291 743 A HN 0.679 nan 8.150 nan 0.000 0.410 744 N N 0.280 118.977 118.700 -0.004 0.000 2.456 744 N HA 0.564 5.304 4.740 0.000 0.000 0.288 744 N C -0.553 174.996 175.510 0.064 0.000 1.059 744 N CA -0.083 52.980 53.050 0.022 0.000 0.946 744 N CB 1.842 40.331 38.487 0.003 0.000 1.150 744 N HN 0.934 nan 8.380 nan 0.000 0.479 745 V N -0.488 119.477 119.914 0.085 0.000 3.040 745 V HA 0.702 4.822 4.120 0.000 0.000 0.312 745 V C -0.639 175.530 176.094 0.125 0.000 1.115 745 V CA -0.785 61.557 62.300 0.070 0.000 0.998 745 V CB 2.402 34.226 31.823 0.002 0.000 1.042 745 V HN 0.848 nan 8.190 nan 0.000 0.433 746 H N 1.942 121.011 119.070 -0.001 0.000 2.985 746 H HA 0.727 5.283 4.556 0.000 0.000 0.360 746 H C -2.010 173.307 175.328 -0.018 0.000 1.221 746 H CA -1.280 54.783 56.048 0.025 0.000 1.121 746 H CB 2.031 31.842 29.762 0.081 0.000 1.854 746 H HN 0.638 nan 8.280 nan 0.000 0.551 747 L N 1.945 123.216 121.223 0.080 0.000 2.275 747 L HA 0.179 4.519 4.340 0.000 0.000 0.288 747 L C 0.274 177.204 176.870 0.100 0.000 1.046 747 L CA -0.253 54.584 54.840 -0.005 0.000 0.805 747 L CB 0.955 43.028 42.059 0.023 0.000 1.193 747 L HN 0.595 nan 8.230 nan 0.000 0.426 748 D N 2.187 122.585 120.400 -0.004 0.000 2.341 748 D HA 0.671 5.311 4.640 0.000 0.000 0.245 748 D C -0.671 175.577 176.300 -0.086 0.000 1.106 748 D CA 0.185 54.211 54.000 0.044 0.000 0.905 748 D CB 1.434 42.214 40.800 -0.034 0.000 1.202 748 D HN 0.619 nan 8.370 nan 0.000 0.426 749 A N 2.623 125.349 122.820 -0.156 0.000 2.572 749 A HA 0.690 5.010 4.320 0.000 0.000 0.295 749 A C -1.558 175.835 177.584 -0.319 0.000 1.072 749 A CA -0.685 51.112 52.037 -0.399 0.000 0.691 749 A CB 1.075 19.598 19.000 -0.795 0.000 1.291 749 A HN 0.490 nan 8.150 nan 0.000 0.404 750 L N 1.340 122.358 121.223 -0.341 0.000 2.356 750 L HA 0.515 4.855 4.340 0.000 0.000 0.277 750 L C -0.126 176.635 176.870 -0.182 0.000 0.996 750 L CA -0.348 54.343 54.840 -0.247 0.000 0.822 750 L CB 1.954 43.821 42.059 -0.319 0.000 1.256 750 L HN 0.780 nan 8.230 nan 0.000 0.413 751 E N 1.811 121.995 120.200 -0.026 0.000 2.242 751 E HA 0.415 4.765 4.350 0.000 0.000 0.275 751 E C -0.912 175.828 176.600 0.233 0.000 1.002 751 E CA -0.560 55.924 56.400 0.140 0.000 0.841 751 E CB 1.267 31.043 29.700 0.127 0.000 1.109 751 E HN 0.704 nan 8.360 nan 0.000 0.394 752 H N 0.620 119.665 119.070 -0.042 0.000 2.922 752 H HA 0.392 4.948 4.556 0.000 0.000 0.219 752 H C 0.303 175.616 175.328 -0.025 0.000 1.356 752 H CA -0.647 55.383 56.048 -0.031 0.000 1.424 752 H CB -0.064 29.676 29.762 -0.037 0.000 2.045 752 H HN 0.802 nan 8.280 nan 0.000 0.595 753 G N 1.587 110.394 108.800 0.012 0.000 2.496 753 G HA2 -0.330 3.630 3.960 0.000 0.000 0.243 753 G HA3 -0.330 3.630 3.960 0.000 0.000 0.243 753 G C -0.274 174.585 174.900 -0.068 0.000 1.176 753 G CA 0.123 45.200 45.100 -0.038 0.000 0.940 753 G HN 0.466 nan 8.290 nan 0.000 0.573 754 D N 1.734 122.083 120.400 -0.086 0.000 2.826 754 D HA 0.494 5.134 4.640 0.000 0.000 0.247 754 D C 0.654 176.891 176.300 -0.106 0.000 1.238 754 D CA 1.575 55.532 54.000 -0.073 0.000 0.894 754 D CB 0.319 41.084 40.800 -0.058 0.000 1.100 754 D HN 0.574 nan 8.370 nan 0.000 0.453 755 T N -0.574 113.894 114.554 -0.143 0.000 2.718 755 T HA 0.583 4.933 4.350 0.000 0.000 0.306 755 T C -2.060 172.561 174.700 -0.131 0.000 1.485 755 T CA -0.734 61.256 62.100 -0.183 0.000 0.997 755 T CB 1.039 69.703 68.868 -0.340 0.000 1.504 755 T HN 0.063 nan 8.240 nan 0.000 0.497 756 I N 1.374 121.874 120.570 -0.116 0.000 2.710 756 I HA 0.720 4.890 4.170 0.000 0.000 0.290 756 I C -1.508 174.439 176.117 -0.283 0.000 1.318 756 I CA -0.573 60.612 61.300 -0.192 0.000 1.045 756 I CB 1.476 39.270 38.000 -0.345 0.000 1.307 756 I HN 0.827 nan 8.210 nan 0.000 0.424 757 A N 6.648 129.288 122.820 -0.298 0.000 2.318 757 A HA 0.769 5.090 4.320 0.000 0.000 0.324 757 A C -1.471 175.790 177.584 -0.539 0.000 1.170 757 A CA -0.316 51.560 52.037 -0.268 0.000 0.810 757 A CB 0.501 19.432 19.000 -0.114 0.000 1.198 757 A HN 0.552 nan 8.150 nan 0.000 0.484 758 F N 3.008 122.816 119.950 -0.237 0.000 2.371 758 F HA 0.274 4.801 4.527 0.000 0.000 0.363 758 F C 1.288 176.709 175.800 -0.631 0.000 1.122 758 F CA -0.611 57.134 58.000 -0.425 0.000 1.129 758 F CB 1.441 40.187 39.000 -0.424 0.000 1.173 758 F HN 0.482 nan 8.300 nan 0.000 0.489 759 M N 1.934 121.319 119.600 -0.357 0.000 2.476 759 M HA -0.001 4.479 4.480 0.000 0.000 0.262 759 M C 0.701 176.879 176.300 -0.203 0.000 1.111 759 M CA 0.650 55.795 55.300 -0.259 0.000 1.127 759 M CB -0.838 31.665 32.600 -0.160 0.000 1.376 759 M HN 0.631 nan 8.290 nan 0.000 0.465 760 H N 0.174 119.219 119.070 -0.043 0.000 2.862 760 H HA -0.099 4.457 4.556 0.000 0.000 0.290 760 H C -0.218 175.031 175.328 -0.132 0.000 1.211 760 H CA 0.814 56.802 56.048 -0.101 0.000 1.140 760 H CB -2.447 27.206 29.762 -0.181 0.000 1.341 760 H HN 0.460 nan 8.280 nan 0.000 0.392 761 S N -1.077 114.590 115.700 -0.055 0.000 2.552 761 S HA 0.579 5.049 4.470 0.000 0.000 0.314 761 S C 0.290 174.783 174.600 -0.180 0.000 1.099 761 S CA -0.900 57.244 58.200 -0.093 0.000 1.070 761 S CB 2.987 66.141 63.200 -0.076 0.000 0.998 761 S HN 0.124 nan 8.310 nan 0.000 0.474 762 V N 4.455 124.228 119.914 -0.236 0.000 2.479 762 V HA 0.243 4.363 4.120 0.000 0.000 0.281 762 V C 0.110 176.035 176.094 -0.281 0.000 1.031 762 V CA 0.007 62.096 62.300 -0.351 0.000 1.038 762 V CB 0.309 31.814 31.823 -0.530 0.000 0.981 762 V HN 0.839 nan 8.190 nan 0.000 0.478 763 Q N 2.398 121.948 119.800 -0.417 0.000 2.359 763 Q HA 0.497 4.837 4.340 0.000 0.000 0.275 763 Q C -0.915 174.943 176.000 -0.237 0.000 1.082 763 Q CA -0.888 54.714 55.803 -0.336 0.000 0.849 763 Q CB 1.976 30.456 28.738 -0.429 0.000 1.377 763 Q HN 0.617 nan 8.270 nan 0.000 0.452 764 D N -0.093 120.268 120.400 -0.065 0.000 2.329 764 D HA 0.530 5.170 4.640 0.000 0.000 0.246 764 D C 0.521 176.896 176.300 0.126 0.000 1.111 764 D CA 0.697 54.710 54.000 0.022 0.000 0.941 764 D CB 0.990 41.804 40.800 0.024 0.000 1.169 764 D HN 0.682 nan 8.370 nan 0.000 0.441 765 G N -0.436 108.440 108.800 0.125 0.000 2.746 765 G HA2 0.226 4.186 3.960 0.000 0.000 0.685 765 G HA3 0.226 4.186 3.960 0.000 0.000 0.685 765 G C -0.217 174.803 174.900 0.200 0.000 1.350 765 G CA -0.392 44.787 45.100 0.131 0.000 0.837 765 G HN 0.669 nan 8.290 nan 0.000 0.564 766 A N 0.463 123.315 122.820 0.054 0.000 2.386 766 A HA 0.877 5.197 4.320 0.000 0.000 0.248 766 A C 1.308 178.789 177.584 -0.173 0.000 1.082 766 A CA 1.149 53.176 52.037 -0.017 0.000 0.789 766 A CB 0.257 19.177 19.000 -0.133 0.000 1.025 766 A HN 2.644 nan 8.150 nan 0.000 0.490 767 A N 1.200 123.896 122.820 -0.207 0.000 2.561 767 A HA 0.338 4.658 4.320 0.000 0.000 0.234 767 A C 1.654 179.208 177.584 -0.050 0.000 1.055 767 A CA 0.563 52.403 52.037 -0.327 0.000 0.756 767 A CB -0.227 18.824 19.000 0.086 0.000 0.986 767 A HN 2.038 nan 8.150 nan 0.000 0.505 768 S N 1.650 117.279 115.700 -0.118 0.000 2.383 768 S HA -0.061 4.409 4.470 0.000 0.000 0.227 768 S C 0.683 175.249 174.600 -0.057 0.000 1.026 768 S CA 1.315 59.495 58.200 -0.033 0.000 0.981 768 S CB -0.400 62.774 63.200 -0.043 0.000 0.818 768 S HN 0.990 nan 8.310 nan 0.000 0.472 769 K N 0.233 120.498 120.400 -0.225 0.000 2.522 769 K HA 0.613 4.933 4.320 0.000 0.000 0.275 769 K C -1.008 175.184 176.600 -0.681 0.000 1.006 769 K CA -0.679 55.301 56.287 -0.513 0.000 0.890 769 K CB 1.453 33.631 32.500 -0.538 0.000 1.475 769 K HN 0.071 nan 8.250 nan 0.000 0.441 770 S N 0.031 115.297 115.700 -0.723 0.000 2.565 770 S HA 0.384 4.854 4.470 0.000 0.000 0.290 770 S C -0.687 173.625 174.600 -0.479 0.000 1.150 770 S CA -0.576 57.355 58.200 -0.448 0.000 1.058 770 S CB 0.301 63.337 63.200 -0.272 0.000 1.032 770 S HN 0.655 nan 8.310 nan 0.000 0.510 771 Y N 1.816 122.107 120.300 -0.014 0.000 2.720 771 Y HA 0.366 4.916 4.550 0.000 0.000 0.268 771 Y C 1.895 177.808 175.900 0.021 0.000 1.142 771 Y CA -0.565 57.531 58.100 -0.007 0.000 1.193 771 Y CB 0.038 38.495 38.460 -0.004 0.000 1.176 771 Y HN 0.864 nan 8.280 nan 0.000 0.542 772 G N 0.511 109.381 108.800 0.117 0.000 2.440 772 G HA2 -0.205 3.755 3.960 0.000 0.000 0.218 772 G HA3 -0.205 3.755 3.960 0.000 0.000 0.218 772 G C 1.521 176.466 174.900 0.075 0.000 1.154 772 G CA 0.894 46.052 45.100 0.098 0.000 0.767 772 G HN 0.407 nan 8.290 nan 0.000 0.552 773 L N 0.443 121.694 121.223 0.048 0.000 2.109 773 L HA 0.014 4.354 4.340 0.000 0.000 0.207 773 L C 3.374 180.276 176.870 0.053 0.000 1.086 773 L CA 0.895 55.757 54.840 0.037 0.000 0.760 773 L CB -0.467 41.599 42.059 0.011 0.000 0.910 773 L HN 0.314 nan 8.230 nan 0.000 0.437 774 A N -0.165 122.704 122.820 0.082 0.000 1.930 774 A HA -0.118 4.202 4.320 0.000 0.000 0.217 774 A C 2.339 179.975 177.584 0.086 0.000 1.175 774 A CA 1.468 53.555 52.037 0.084 0.000 0.627 774 A CB -0.669 18.406 19.000 0.124 0.000 0.815 774 A HN 0.185 nan 8.150 nan 0.000 0.443 775 V N -0.181 119.805 119.914 0.121 0.000 2.358 775 V HA -0.216 3.904 4.120 0.000 0.000 0.246 775 V C 3.049 179.197 176.094 0.090 0.000 1.047 775 V CA 1.780 64.162 62.300 0.137 0.000 1.035 775 V CB -1.136 30.785 31.823 0.162 0.000 0.658 775 V HN 0.607 nan 8.190 nan 0.000 0.452 776 A N 0.059 122.921 122.820 0.070 0.000 1.908 776 A HA -0.161 4.159 4.320 0.000 0.000 0.218 776 A C 2.414 180.021 177.584 0.038 0.000 1.181 776 A CA 2.218 54.283 52.037 0.047 0.000 0.627 776 A CB -0.742 18.280 19.000 0.038 0.000 0.818 776 A HN 0.571 nan 8.150 nan 0.000 0.445 777 A N -0.612 122.231 122.820 0.038 0.000 1.898 777 A HA -0.000 4.320 4.320 0.000 0.000 0.216 777 A C 2.118 179.718 177.584 0.027 0.000 1.181 777 A CA 1.627 53.679 52.037 0.026 0.000 0.620 777 A CB -0.642 18.370 19.000 0.020 0.000 0.819 777 A HN 0.697 nan 8.150 nan 0.000 0.442 778 L N -0.122 121.126 121.223 0.042 0.000 2.079 778 L HA -0.110 4.230 4.340 0.000 0.000 0.210 778 L C 2.470 179.366 176.870 0.042 0.000 1.081 778 L CA 2.211 57.081 54.840 0.049 0.000 0.752 778 L CB -0.497 41.617 42.059 0.091 0.000 0.896 778 L HN 0.325 nan 8.230 nan 0.000 0.433 779 A N -1.514 121.330 122.820 0.041 0.000 2.206 779 A HA 0.371 4.691 4.320 0.000 0.000 0.211 779 A C 1.764 179.360 177.584 0.020 0.000 1.158 779 A CA 0.791 52.846 52.037 0.030 0.000 0.761 779 A CB -0.727 18.291 19.000 0.029 0.000 0.801 779 A HN 0.858 nan 8.150 nan 0.000 0.473 780 G N -2.081 106.730 108.800 0.018 0.000 2.184 780 G HA2 -0.169 3.791 3.960 0.000 0.000 0.206 780 G HA3 -0.169 3.791 3.960 0.000 0.000 0.206 780 G C 0.194 175.100 174.900 0.010 0.000 0.995 780 G CA -0.113 44.994 45.100 0.012 0.000 0.651 780 G HN 0.697 nan 8.290 nan 0.000 0.511 781 V N 2.881 122.803 119.914 0.013 0.000 2.584 781 V HA 0.209 4.329 4.120 0.000 0.000 0.303 781 V C -0.948 175.151 176.094 0.008 0.000 1.035 781 V CA -0.112 62.194 62.300 0.011 0.000 1.172 781 V CB 0.533 32.364 31.823 0.014 0.000 0.896 781 V HN 0.246 nan 8.190 nan 0.000 0.486 782 P HA 0.031 nan 4.420 nan 0.000 0.264 782 P C 0.681 177.983 177.300 0.003 0.000 1.179 782 P CA 0.079 63.181 63.100 0.003 0.000 0.763 782 P CB 0.479 32.181 31.700 0.003 0.000 0.806 783 K N 1.865 122.266 120.400 0.001 0.000 2.103 783 K HA -0.246 4.074 4.320 0.000 0.000 0.207 783 K C 1.813 178.413 176.600 -0.000 0.000 1.048 783 K CA 1.797 58.084 56.287 -0.000 0.000 0.930 783 K CB -0.104 32.395 32.500 -0.003 0.000 0.716 783 K HN 0.513 nan 8.250 nan 0.000 0.444 784 E N 0.696 120.895 120.200 -0.000 0.000 2.153 784 E HA -0.146 4.204 4.350 0.000 0.000 0.194 784 E C 1.597 178.197 176.600 0.000 0.000 0.988 784 E CA 1.155 57.554 56.400 -0.001 0.000 0.811 784 E CB -0.037 29.663 29.700 -0.000 0.000 0.746 784 E HN 0.025 nan 8.360 nan 0.000 0.466 785 V N 0.662 120.577 119.914 0.001 0.000 2.488 785 V HA -0.142 3.978 4.120 0.000 0.000 0.246 785 V C 2.141 178.236 176.094 0.003 0.000 1.046 785 V CA 1.108 63.409 62.300 0.002 0.000 1.053 785 V CB -0.329 31.496 31.823 0.004 0.000 0.679 785 V HN 0.358 nan 8.190 nan 0.000 0.458 786 I N 0.456 121.027 120.570 0.003 0.000 2.394 786 I HA -0.182 3.988 4.170 0.000 0.000 0.251 786 I C 2.370 178.486 176.117 -0.001 0.000 1.136 786 I CA 1.507 62.809 61.300 0.003 0.000 1.425 786 I CB -1.176 36.827 38.000 0.005 0.000 1.079 786 I HN 0.393 nan 8.210 nan 0.000 0.425 787 K N 0.810 121.209 120.400 -0.002 0.000 2.026 787 K HA -0.210 4.110 4.320 0.000 0.000 0.208 787 K C 2.401 178.998 176.600 -0.004 0.000 1.048 787 K CA 1.273 57.558 56.287 -0.003 0.000 0.929 787 K CB 0.024 32.522 32.500 -0.003 0.000 0.713 787 K HN -0.043 nan 8.250 nan 0.000 0.439 788 R N 0.497 120.996 120.500 -0.003 0.000 2.090 788 R HA 0.046 4.386 4.340 0.000 0.000 0.228 788 R C 2.025 178.323 176.300 -0.003 0.000 1.110 788 R CA 1.403 57.501 56.100 -0.003 0.000 0.973 788 R CB -0.731 29.569 30.300 -0.001 0.000 0.869 788 R HN 0.384 nan 8.270 nan 0.000 0.440 789 A N 0.447 123.265 122.820 -0.003 0.000 1.968 789 A HA -0.091 4.229 4.320 0.000 0.000 0.217 789 A C 2.200 179.778 177.584 -0.009 0.000 1.169 789 A CA 0.957 52.992 52.037 -0.003 0.000 0.638 789 A CB -0.269 18.732 19.000 0.000 0.000 0.812 789 A HN 0.244 nan 8.150 nan 0.000 0.446 790 R N -0.896 119.598 120.500 -0.010 0.000 2.073 790 R HA -0.125 4.215 4.340 0.000 0.000 0.229 790 R C 2.500 178.790 176.300 -0.017 0.000 1.120 790 R CA 1.429 57.519 56.100 -0.017 0.000 0.967 790 R CB -0.318 29.973 30.300 -0.016 0.000 0.862 790 R HN 0.751 nan 8.270 nan 0.000 0.436 791 Q N 1.149 120.942 119.800 -0.012 0.000 2.045 791 Q HA -0.273 4.067 4.340 0.000 0.000 0.206 791 Q C 1.982 177.976 176.000 -0.010 0.000 0.991 791 Q CA 1.986 57.783 55.803 -0.010 0.000 0.851 791 Q CB 0.019 28.753 28.738 -0.007 0.000 0.911 791 Q HN -0.051 nan 8.270 nan 0.000 0.418 792 K N 0.321 120.716 120.400 -0.008 0.000 2.032 792 K HA -0.199 4.121 4.320 0.000 0.000 0.209 792 K C 1.902 178.496 176.600 -0.009 0.000 1.048 792 K CA 1.399 57.683 56.287 -0.006 0.000 0.927 792 K CB -0.729 31.768 32.500 -0.004 0.000 0.712 792 K HN 0.294 nan 8.250 nan 0.000 0.441 793 L N 1.193 122.407 121.223 -0.015 0.000 2.042 793 L HA -0.150 4.190 4.340 0.000 0.000 0.210 793 L C 1.957 178.811 176.870 -0.027 0.000 1.076 793 L CA 1.791 56.616 54.840 -0.024 0.000 0.749 793 L CB -0.451 41.585 42.059 -0.038 0.000 0.893 793 L HN 0.170 nan 8.230 nan 0.000 0.432 794 R N -0.305 120.180 120.500 -0.025 0.000 2.115 794 R HA -0.127 4.213 4.340 0.000 0.000 0.230 794 R C 2.062 178.353 176.300 -0.015 0.000 1.111 794 R CA 1.429 57.515 56.100 -0.024 0.000 0.976 794 R CB -0.454 29.833 30.300 -0.021 0.000 0.870 794 R HN 0.576 nan 8.270 nan 0.000 0.445 795 E N 0.965 121.159 120.200 -0.010 0.000 2.058 795 E HA -0.185 4.165 4.350 0.000 0.000 0.194 795 E C 2.085 178.684 176.600 -0.001 0.000 0.997 795 E CA 1.229 57.627 56.400 -0.004 0.000 0.801 795 E CB -0.165 29.534 29.700 -0.002 0.000 0.746 795 E HN 0.260 nan 8.360 nan 0.000 0.450 796 L N 0.906 122.129 121.223 -0.000 0.000 2.109 796 L HA -0.146 4.194 4.340 0.000 0.000 0.207 796 L C 2.222 179.096 176.870 0.007 0.000 1.086 796 L CA 1.024 55.870 54.840 0.009 0.000 0.760 796 L CB -0.358 41.709 42.059 0.013 0.000 0.910 796 L HN 0.089 nan 8.230 nan 0.000 0.437 797 E N -0.135 120.060 120.200 -0.008 0.000 2.268 797 E HA -0.165 4.185 4.350 0.000 0.000 0.195 797 E C 2.161 178.759 176.600 -0.004 0.000 0.995 797 E CA 1.336 57.729 56.400 -0.012 0.000 0.836 797 E CB -0.122 29.556 29.700 -0.036 0.000 0.763 797 E HN 0.509 nan 8.360 nan 0.000 0.491 798 S N 0.482 116.180 115.700 -0.004 0.000 2.562 798 S HA 0.012 4.482 4.470 0.000 0.000 0.221 798 S C 1.893 176.493 174.600 0.000 0.000 0.975 798 S CA -0.117 58.081 58.200 -0.003 0.000 0.918 798 S CB -0.296 62.901 63.200 -0.005 0.000 0.772 798 S HN 0.143 nan 8.310 nan 0.000 0.531 799 I N 1.240 121.812 120.570 0.004 0.000 2.099 799 I HA -0.110 4.060 4.170 0.000 0.000 0.239 799 I C 2.009 178.126 176.117 -0.000 0.000 1.066 799 I CA 0.980 62.282 61.300 0.003 0.000 1.324 799 I CB -0.530 37.475 38.000 0.009 0.000 1.037 799 I HN 0.301 nan 8.210 nan 0.000 0.401 800 S N 0.000 115.703 115.700 0.005 0.000 2.498 800 S HA 0.000 4.470 4.470 0.000 0.000 0.327 800 S CA 0.000 58.203 58.200 0.005 0.000 1.107 800 S CB 0.000 63.208 63.200 0.014 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517