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 1qvr_1_C DATA FIRST_RESID 4 DATA SEQUENCE ERWTQAAREA LAQAQVLAQR MKHQAIDLPH LWAVLLKDER SLAWRLLEKA DATA SEQUENCE GADPKALKEL QERELARLPK VEGAEVGQYL TSRLSGALNR AEGLMEELKD DATA SEQUENCE RYVAVDTLVL ALAEATPGLP GLEALKGALK ELRGGRTVQT EHAESTYNAL DATA SEQUENCE EQYGIDLTRL AAEGKLDPVI GRDEEIRRVI QILLRRTKNN PVLIGEPGVG DATA SEQUENCE KTAIVEGLAQ RIVKGDVPEG LKGKRIVSLQ MXXXXXXXXX XXEFEERLKA DATA SEQUENCE VIQEVVQSQG EVILFIDEXX XXXXXXXXXX XXXXXXXLKP ALARGELRLI DATA SEQUENCE GATTLDEYRE IEKDPALERR FQPVYVDEPT VEETISILRG LKEKYEVHHG DATA SEQUENCE VRISDSAIIA AATLSHRYIT ERRLPDKAID LIDEAAARLR MALESAPEEI DATA SEQUENCE DALERKKLQL EIEREALKKE KDPDSQERLK AIEAEIAKLT EEIAKLRAEW DATA SEQUENCE EREREILRKL REAQHRLDEV RREIELAERQ YDLNRAAELR YGELPKLEAE DATA SEQUENCE VEALSEKLRG ARFVRLEVTE EDIAEIVSRW TGIPVSKLLE GEREKLLRLE DATA SEQUENCE EELHKRVVGQ DEAIRAVADA IRRARAGLKD PNRPIGSFLF LGPTGVGKTE DATA SEQUENCE LAKTLAATLF DTEEAMIRID MTEYMEKHAV SRLXXXXXXX XXXXXXXQLT DATA SEQUENCE EAVRRRPYSV ILFDEIEKAH PDVFNILLQI LDDGRLTDSH GRTVDFRNTV DATA SEQUENCE IILTSNLGSP LILEGLQKGW PYERIRDEVF KVLQQHFRPE FLNRLDEIVV DATA SEQUENCE FRPLTKEQIR QIVEIQLSYL RARLAEKRIS LELTEAAKDF LAERGYDPVF DATA SEQUENCE GARPLRRVIQ RELETPLAQK ILAGEVKEGD RVQVDVGPAG LVFAVPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.758 176.600 0.263 0.000 1.382 4 E CA 0.000 56.463 56.400 0.105 0.000 0.976 4 E CB 0.000 29.766 29.700 0.111 0.000 0.812 5 R N 0.140 120.822 120.500 0.303 0.000 2.560 5 R HA 0.393 4.763 4.340 0.051 0.000 0.270 5 R C -0.799 175.853 176.300 0.587 0.000 1.074 5 R CA -0.368 56.005 56.100 0.456 0.000 1.140 5 R CB 0.205 30.707 30.300 0.336 0.000 1.073 5 R HN -0.042 nan 8.270 nan 0.000 0.527 6 W N 0.684 122.062 121.300 0.130 0.000 2.449 6 W HA 0.338 5.028 4.660 0.050 0.000 0.331 6 W C 0.485 177.009 176.519 0.009 0.000 1.119 6 W CA -0.473 56.928 57.345 0.094 0.000 1.240 6 W CB 0.208 29.689 29.460 0.035 0.000 1.251 6 W HN 0.383 nan 8.180 nan 0.000 0.576 7 T N 1.475 116.141 114.554 0.186 0.000 2.724 7 T HA -0.132 4.248 4.350 0.051 0.000 0.324 7 T C 1.191 175.907 174.700 0.025 0.000 1.071 7 T CA -0.152 61.954 62.100 0.009 0.000 1.061 7 T CB 0.499 69.389 68.868 0.038 0.000 0.990 7 T HN 0.442 nan 8.240 nan 0.000 0.543 8 Q N 0.637 120.413 119.800 -0.039 0.000 2.297 8 Q HA -0.096 4.274 4.340 0.051 0.000 0.208 8 Q C 2.003 178.016 176.000 0.020 0.000 0.981 8 Q CA 1.879 57.671 55.803 -0.017 0.000 0.876 8 Q CB -0.683 28.035 28.738 -0.035 0.000 0.921 8 Q HN 0.754 nan 8.270 nan 0.000 0.446 9 A N 0.249 123.092 122.820 0.038 0.000 1.823 9 A HA 0.104 4.455 4.320 0.051 0.000 0.214 9 A C 2.302 179.943 177.584 0.096 0.000 1.225 9 A CA 1.672 53.742 52.037 0.055 0.000 0.604 9 A CB -1.503 17.528 19.000 0.052 0.000 0.878 9 A HN 0.515 nan 8.150 nan 0.000 0.450 10 A N -0.602 122.314 122.820 0.160 0.000 1.948 10 A HA -0.231 4.119 4.320 0.051 0.000 0.220 10 A C 2.242 179.958 177.584 0.221 0.000 1.177 10 A CA 2.056 54.261 52.037 0.279 0.000 0.636 10 A CB -0.569 18.743 19.000 0.521 0.000 0.815 10 A HN 0.559 nan 8.150 nan 0.000 0.449 11 R N -0.679 119.928 120.500 0.178 0.000 2.094 11 R HA -0.230 4.140 4.340 0.051 0.000 0.239 11 R C 2.275 178.573 176.300 -0.004 0.000 1.137 11 R CA 2.002 58.133 56.100 0.052 0.000 0.943 11 R CB -0.257 30.070 30.300 0.044 0.000 0.850 11 R HN 0.589 nan 8.270 nan 0.000 0.433 12 E N 0.178 120.387 120.200 0.015 0.000 2.110 12 E HA -0.141 4.240 4.350 0.051 0.000 0.193 12 E C 1.649 178.248 176.600 -0.002 0.000 0.988 12 E CA 1.638 58.036 56.400 -0.002 0.000 0.804 12 E CB -0.236 29.468 29.700 0.006 0.000 0.745 12 E HN 0.416 nan 8.360 nan 0.000 0.458 13 A N 0.570 123.404 122.820 0.024 0.000 1.908 13 A HA -0.180 4.170 4.320 0.051 0.000 0.218 13 A C 2.305 179.881 177.584 -0.014 0.000 1.181 13 A CA 1.699 53.752 52.037 0.027 0.000 0.627 13 A CB -0.800 18.241 19.000 0.069 0.000 0.818 13 A HN 0.353 nan 8.150 nan 0.000 0.445 14 L N -0.939 120.249 121.223 -0.058 0.000 2.005 14 L HA -0.172 4.199 4.340 0.051 0.000 0.207 14 L C 3.131 179.941 176.870 -0.100 0.000 1.072 14 L CA 1.126 55.891 54.840 -0.126 0.000 0.744 14 L CB -0.758 41.157 42.059 -0.241 0.000 0.895 14 L HN 0.411 nan 8.230 nan 0.000 0.433 15 A N -0.492 122.276 122.820 -0.086 0.000 1.917 15 A HA -0.251 4.099 4.320 0.051 0.000 0.219 15 A C 2.296 179.846 177.584 -0.056 0.000 1.182 15 A CA 1.571 53.564 52.037 -0.073 0.000 0.633 15 A CB -0.494 18.471 19.000 -0.060 0.000 0.819 15 A HN 0.453 nan 8.150 nan 0.000 0.448 16 Q N -0.539 119.238 119.800 -0.038 0.000 2.014 16 Q HA -0.224 4.147 4.340 0.051 0.000 0.207 16 Q C 2.518 178.511 176.000 -0.012 0.000 0.993 16 Q CA 1.866 57.656 55.803 -0.022 0.000 0.850 16 Q CB -0.902 27.835 28.738 -0.002 0.000 0.916 16 Q HN 0.669 nan 8.270 nan 0.000 0.417 17 A N 1.077 123.893 122.820 -0.007 0.000 1.908 17 A HA -0.280 4.070 4.320 0.051 0.000 0.218 17 A C 2.121 179.688 177.584 -0.029 0.000 1.181 17 A CA 1.963 54.014 52.037 0.023 0.000 0.627 17 A CB -0.716 18.291 19.000 0.011 0.000 0.818 17 A HN 0.482 nan 8.150 nan 0.000 0.445 18 Q N -0.296 119.454 119.800 -0.083 0.000 2.020 18 Q HA -0.147 4.223 4.340 0.051 0.000 0.202 18 Q C 1.969 177.910 176.000 -0.098 0.000 0.982 18 Q CA 2.205 57.934 55.803 -0.122 0.000 0.838 18 Q CB -0.242 28.428 28.738 -0.113 0.000 0.899 18 Q HN 0.418 nan 8.270 nan 0.000 0.423 19 V N 1.314 121.188 119.914 -0.067 0.000 2.490 19 V HA -0.253 3.897 4.120 0.051 0.000 0.250 19 V C 2.312 178.377 176.094 -0.049 0.000 1.061 19 V CA 1.420 63.685 62.300 -0.058 0.000 1.064 19 V CB -0.696 31.096 31.823 -0.052 0.000 0.670 19 V HN 0.417 nan 8.190 nan 0.000 0.461 20 L N 1.248 122.459 121.223 -0.020 0.000 2.017 20 L HA -0.070 4.301 4.340 0.051 0.000 0.208 20 L C 2.517 179.386 176.870 -0.002 0.000 1.073 20 L CA 2.365 57.211 54.840 0.009 0.000 0.745 20 L CB -1.144 40.963 42.059 0.080 0.000 0.894 20 L HN 0.201 nan 8.230 nan 0.000 0.432 21 A N -0.842 121.990 122.820 0.019 0.000 1.903 21 A HA -0.338 4.013 4.320 0.051 0.000 0.219 21 A C 2.175 179.685 177.584 -0.123 0.000 1.191 21 A CA 2.304 54.283 52.037 -0.096 0.000 0.638 21 A CB -0.767 18.003 19.000 -0.384 0.000 0.823 21 A HN 0.701 nan 8.150 nan 0.000 0.451 22 Q N -1.128 118.612 119.800 -0.101 0.000 2.002 22 Q HA -0.183 4.188 4.340 0.051 0.000 0.204 22 Q C 2.455 178.407 176.000 -0.080 0.000 0.988 22 Q CA 1.410 57.166 55.803 -0.078 0.000 0.843 22 Q CB -0.264 28.434 28.738 -0.066 0.000 0.908 22 Q HN 0.465 nan 8.270 nan 0.000 0.420 23 R N 0.315 120.767 120.500 -0.081 0.000 2.136 23 R HA -0.148 4.222 4.340 0.051 0.000 0.242 23 R C 1.928 178.169 176.300 -0.099 0.000 1.131 23 R CA 1.413 57.468 56.100 -0.075 0.000 0.937 23 R CB -0.569 29.690 30.300 -0.067 0.000 0.863 23 R HN 0.375 nan 8.270 nan 0.000 0.435 24 M N 1.650 121.137 119.600 -0.188 0.000 2.722 24 M HA -0.011 4.500 4.480 0.051 0.000 0.238 24 M C -0.121 176.080 176.300 -0.163 0.000 1.098 24 M CA 0.493 55.641 55.300 -0.254 0.000 1.062 24 M CB -0.205 32.070 32.600 -0.540 0.000 1.573 24 M HN 0.032 nan 8.290 nan 0.000 0.531 25 K N 0.613 120.960 120.400 -0.088 0.000 3.244 25 K HA -0.186 4.164 4.320 0.051 0.000 0.270 25 K C -0.543 176.159 176.600 0.170 0.000 1.016 25 K CA 0.690 56.994 56.287 0.027 0.000 0.754 25 K CB -2.641 29.886 32.500 0.046 0.000 1.326 25 K HN 0.595 nan 8.250 nan 0.000 0.465 26 H N -0.434 118.642 119.070 0.010 0.000 2.517 26 H HA 0.228 4.815 4.556 0.051 0.000 0.346 26 H C 1.421 176.701 175.328 -0.080 0.000 1.222 26 H CA -0.614 55.435 56.048 0.002 0.000 1.314 26 H CB 1.538 31.359 29.762 0.098 0.000 1.609 26 H HN 0.263 nan 8.280 nan 0.000 0.571 27 Q N 0.664 120.463 119.800 -0.002 0.000 2.462 27 Q HA 0.245 4.615 4.340 0.051 0.000 0.224 27 Q C -0.339 175.380 176.000 -0.469 0.000 0.911 27 Q CA 0.087 55.797 55.803 -0.154 0.000 0.925 27 Q CB 0.726 29.417 28.738 -0.079 0.000 1.063 27 Q HN 0.647 nan 8.270 nan 0.000 0.572 28 A N 1.415 123.948 122.820 -0.478 0.000 2.258 28 A HA 0.458 4.808 4.320 0.051 0.000 0.316 28 A C -0.563 176.783 177.584 -0.397 0.000 1.279 28 A CA -0.582 51.027 52.037 -0.714 0.000 0.876 28 A CB 0.256 18.962 19.000 -0.490 0.000 1.170 28 A HN 0.415 nan 8.150 nan 0.000 0.520 29 I N 3.206 123.510 120.570 -0.442 0.000 2.460 29 I HA 0.015 4.216 4.170 0.051 0.000 0.297 29 I C 0.216 176.215 176.117 -0.197 0.000 1.139 29 I CA 0.190 61.204 61.300 -0.477 0.000 1.340 29 I CB -0.210 37.582 38.000 -0.347 0.000 1.444 29 I HN 0.619 nan 8.210 nan 0.000 0.557 30 D N 4.265 124.687 120.400 0.037 0.000 2.478 30 D HA 0.284 4.954 4.640 0.051 0.000 0.263 30 D C 1.159 177.576 176.300 0.195 0.000 1.153 30 D CA -0.457 53.640 54.000 0.163 0.000 1.038 30 D CB 1.243 42.161 40.800 0.196 0.000 1.120 30 D HN 0.237 nan 8.370 nan 0.000 0.564 31 L N 0.582 121.864 121.223 0.098 0.000 2.012 31 L HA -0.110 4.260 4.340 0.051 0.000 0.210 31 L C -0.749 176.165 176.870 0.072 0.000 1.073 31 L CA 1.167 56.005 54.840 -0.002 0.000 0.748 31 L CB -1.414 40.646 42.059 0.002 0.000 0.891 31 L HN 0.393 nan 8.230 nan 0.000 0.431 32 P HA -0.204 nan 4.420 nan 0.000 0.218 32 P C 1.055 178.415 177.300 0.099 0.000 1.150 32 P CA 1.633 64.843 63.100 0.183 0.000 0.841 32 P CB -0.065 31.660 31.700 0.041 0.000 0.784 33 H N -1.907 117.222 119.070 0.098 0.000 2.326 33 H HA -0.074 4.512 4.556 0.050 0.000 0.301 33 H C 1.813 177.167 175.328 0.043 0.000 1.081 33 H CA 1.011 57.096 56.048 0.063 0.000 1.334 33 H CB -1.043 28.732 29.762 0.022 0.000 1.385 33 H HN 0.002 nan 8.280 nan 0.000 0.504 34 L N -0.307 120.980 121.223 0.106 0.000 2.046 34 L HA -0.148 4.223 4.340 0.051 0.000 0.208 34 L C 1.746 178.648 176.870 0.053 0.000 1.077 34 L CA 1.520 56.352 54.840 -0.014 0.000 0.747 34 L CB -0.673 41.276 42.059 -0.183 0.000 0.896 34 L HN 0.365 nan 8.230 nan 0.000 0.432 35 W N -0.800 120.546 121.300 0.075 0.000 2.353 35 W HA -0.240 4.450 4.660 0.049 0.000 0.319 35 W C 2.570 179.128 176.519 0.065 0.000 1.207 35 W CA 0.996 58.380 57.345 0.067 0.000 1.291 35 W CB -0.545 28.945 29.460 0.050 0.000 1.159 35 W HN 0.234 nan 8.180 nan 0.000 0.478 36 A N 0.409 123.420 122.820 0.318 0.000 1.954 36 A HA -0.330 4.021 4.320 0.051 0.000 0.222 36 A C 1.925 179.600 177.584 0.152 0.000 1.199 36 A CA 3.276 55.421 52.037 0.180 0.000 0.657 36 A CB -1.496 17.563 19.000 0.099 0.000 0.823 36 A HN 0.374 nan 8.150 nan 0.000 0.463 37 V N -3.242 116.759 119.914 0.146 0.000 2.725 37 V HA 0.045 4.195 4.120 0.051 0.000 0.247 37 V C 2.191 178.365 176.094 0.133 0.000 1.058 37 V CA 1.428 63.794 62.300 0.109 0.000 1.080 37 V CB -0.663 31.205 31.823 0.075 0.000 0.713 37 V HN 0.417 nan 8.190 nan 0.000 0.465 38 L N 0.001 121.338 121.223 0.190 0.000 2.156 38 L HA 0.146 4.516 4.340 0.051 0.000 0.208 38 L C 1.279 178.301 176.870 0.255 0.000 1.095 38 L CA 1.059 56.031 54.840 0.221 0.000 0.770 38 L CB -0.116 42.112 42.059 0.282 0.000 0.914 38 L HN 0.293 nan 8.230 nan 0.000 0.439 39 L N 0.329 121.723 121.223 0.286 0.000 2.512 39 L HA 0.123 4.494 4.340 0.051 0.000 0.247 39 L C 1.052 178.022 176.870 0.168 0.000 1.204 39 L CA -0.099 54.921 54.840 0.299 0.000 1.153 39 L CB 0.162 42.417 42.059 0.328 0.000 1.415 39 L HN 0.103 nan 8.230 nan 0.000 0.406 40 K N -0.130 120.326 120.400 0.094 0.000 2.078 40 K HA 0.127 4.477 4.320 0.051 0.000 0.203 40 K C 0.122 176.669 176.600 -0.089 0.000 1.043 40 K CA 0.613 56.910 56.287 0.017 0.000 0.960 40 K CB 0.387 32.902 32.500 0.024 0.000 0.761 40 K HN 0.434 nan 8.250 nan 0.000 0.448 41 D N -0.727 119.574 120.400 -0.166 0.000 2.614 41 D HA 0.093 4.764 4.640 0.051 0.000 0.264 41 D C 0.354 176.231 176.300 -0.705 0.000 1.092 41 D CA -0.306 53.486 54.000 -0.346 0.000 1.071 41 D CB 1.346 42.021 40.800 -0.208 0.000 1.443 41 D HN -0.021 nan 8.370 nan 0.000 0.528 42 E N -0.043 119.599 120.200 -0.930 0.000 2.204 42 E HA -0.105 4.275 4.350 0.051 0.000 0.194 42 E C 1.527 177.916 176.600 -0.350 0.000 0.989 42 E CA 0.794 56.352 56.400 -1.403 0.000 0.824 42 E CB 0.179 29.294 29.700 -0.975 0.000 0.756 42 E HN 0.164 nan 8.360 nan 0.000 0.477 43 R N 0.963 121.336 120.500 -0.212 0.000 2.189 43 R HA 0.072 4.443 4.340 0.051 0.000 0.218 43 R C 0.659 176.986 176.300 0.044 0.000 1.074 43 R CA 0.071 56.151 56.100 -0.033 0.000 0.991 43 R CB 0.087 30.360 30.300 -0.046 0.000 0.883 43 R HN -0.078 nan 8.270 nan 0.000 0.457 44 S N 1.740 117.461 115.700 0.036 0.000 2.563 44 S HA -0.074 4.426 4.470 0.051 0.000 0.294 44 S C 1.203 175.921 174.600 0.196 0.000 1.279 44 S CA -0.354 57.916 58.200 0.116 0.000 1.069 44 S CB 0.698 63.979 63.200 0.136 0.000 0.828 44 S HN 0.167 nan 8.310 nan 0.000 0.497 45 L N 5.188 126.500 121.223 0.148 0.000 2.013 45 L HA -0.194 4.176 4.340 0.051 0.000 0.212 45 L C 2.313 179.289 176.870 0.177 0.000 1.073 45 L CA 2.542 57.467 54.840 0.142 0.000 0.753 45 L CB -1.155 40.966 42.059 0.103 0.000 0.890 45 L HN 0.799 nan 8.230 nan 0.000 0.432 46 A N -1.678 121.266 122.820 0.205 0.000 1.978 46 A HA -0.285 4.066 4.320 0.051 0.000 0.220 46 A C 2.113 179.844 177.584 0.245 0.000 1.170 46 A CA 1.875 54.058 52.037 0.243 0.000 0.636 46 A CB -1.367 17.816 19.000 0.304 0.000 0.810 46 A HN 0.752 nan 8.150 nan 0.000 0.448 47 W N 0.222 121.567 121.300 0.076 0.000 2.407 47 W HA -0.053 4.637 4.660 0.050 0.000 0.305 47 W C 2.529 179.064 176.519 0.026 0.000 1.196 47 W CA 1.692 59.059 57.345 0.037 0.000 1.311 47 W CB -0.113 29.363 29.460 0.028 0.000 1.135 47 W HN 0.239 nan 8.180 nan 0.000 0.514 48 R N -0.201 120.496 120.500 0.328 0.000 2.096 48 R HA -0.225 4.145 4.340 0.051 0.000 0.229 48 R C 2.108 178.445 176.300 0.060 0.000 1.134 48 R CA 1.908 58.126 56.100 0.196 0.000 0.917 48 R CB -1.598 28.806 30.300 0.173 0.000 0.832 48 R HN 0.165 nan 8.270 nan 0.000 0.430 49 L N 1.155 122.420 121.223 0.070 0.000 2.064 49 L HA -0.209 4.162 4.340 0.051 0.000 0.216 49 L C 2.007 178.875 176.870 -0.004 0.000 1.077 49 L CA 1.738 56.601 54.840 0.039 0.000 0.766 49 L CB -0.612 41.485 42.059 0.063 0.000 0.890 49 L HN 0.159 nan 8.230 nan 0.000 0.435 50 L N -0.403 120.800 121.223 -0.033 0.000 2.072 50 L HA -0.135 4.236 4.340 0.051 0.000 0.205 50 L C 2.605 179.355 176.870 -0.200 0.000 1.079 50 L CA 1.995 56.771 54.840 -0.107 0.000 0.752 50 L CB -0.728 41.238 42.059 -0.155 0.000 0.906 50 L HN 0.551 nan 8.230 nan 0.000 0.436 51 E N -0.711 119.318 120.200 -0.285 0.000 2.152 51 E HA -0.248 4.132 4.350 0.051 0.000 0.192 51 E C 2.074 178.577 176.600 -0.162 0.000 0.983 51 E CA 0.746 56.950 56.400 -0.326 0.000 0.818 51 E CB 0.036 29.439 29.700 -0.494 0.000 0.758 51 E HN 0.343 nan 8.360 nan 0.000 0.467 52 K N -0.393 119.951 120.400 -0.093 0.000 2.432 52 K HA 0.046 4.397 4.320 0.051 0.000 0.196 52 K C 1.523 178.097 176.600 -0.043 0.000 1.038 52 K CA 0.710 56.969 56.287 -0.046 0.000 0.986 52 K CB 0.134 32.627 32.500 -0.011 0.000 0.782 52 K HN 0.130 nan 8.250 nan 0.000 0.485 53 A N -0.117 122.669 122.820 -0.057 0.000 2.081 53 A HA 0.271 4.622 4.320 0.051 0.000 0.214 53 A C 1.377 178.930 177.584 -0.051 0.000 1.158 53 A CA 1.093 53.104 52.037 -0.043 0.000 0.724 53 A CB 0.036 19.015 19.000 -0.034 0.000 0.826 53 A HN 0.520 nan 8.150 nan 0.000 0.463 54 G N -1.455 107.300 108.800 -0.075 0.000 3.154 54 G HA2 0.338 4.328 3.960 0.051 0.000 0.114 54 G HA3 0.338 4.328 3.960 0.051 0.000 0.114 54 G C 0.636 175.477 174.900 -0.099 0.000 2.421 54 G CA 0.026 45.083 45.100 -0.072 0.000 1.271 54 G HN 1.295 nan 8.290 nan 0.000 0.371 55 A N 1.482 124.235 122.820 -0.113 0.000 2.475 55 A HA 0.463 4.813 4.320 0.051 0.000 0.239 55 A C 0.315 177.778 177.584 -0.202 0.000 1.087 55 A CA 1.027 52.980 52.037 -0.139 0.000 0.779 55 A CB -0.105 18.810 19.000 -0.142 0.000 1.036 55 A HN 1.015 nan 8.150 nan 0.000 0.506 56 D N 1.261 121.539 120.400 -0.203 0.000 2.359 56 D HA 0.283 4.953 4.640 0.051 0.000 0.230 56 D C -2.356 173.744 176.300 -0.332 0.000 1.118 56 D CA -1.623 52.219 54.000 -0.262 0.000 0.844 56 D CB 1.148 41.853 40.800 -0.159 0.000 1.059 56 D HN 0.085 nan 8.370 nan 0.000 0.493 57 P HA -0.212 nan 4.420 nan 0.000 0.216 57 P C 1.478 178.628 177.300 -0.250 0.000 1.154 57 P CA 1.522 64.250 63.100 -0.620 0.000 0.865 57 P CB 0.264 31.069 31.700 -1.491 0.000 0.789 58 K N -0.430 119.934 120.400 -0.060 0.000 2.020 58 K HA -0.223 4.127 4.320 0.051 0.000 0.212 58 K C 2.038 178.646 176.600 0.013 0.000 1.050 58 K CA 1.887 58.258 56.287 0.139 0.000 0.929 58 K CB -0.752 31.863 32.500 0.191 0.000 0.714 58 K HN -0.009 nan 8.250 nan 0.000 0.443 59 A N 1.093 123.883 122.820 -0.050 0.000 1.908 59 A HA -0.182 4.168 4.320 0.051 0.000 0.218 59 A C 2.040 179.563 177.584 -0.102 0.000 1.181 59 A CA 1.563 53.561 52.037 -0.064 0.000 0.627 59 A CB -0.664 18.291 19.000 -0.075 0.000 0.818 59 A HN 0.405 nan 8.150 nan 0.000 0.445 60 L N 0.127 121.246 121.223 -0.173 0.000 1.970 60 L HA -0.169 4.201 4.340 0.051 0.000 0.212 60 L C 2.346 179.082 176.870 -0.224 0.000 1.071 60 L CA 2.854 57.535 54.840 -0.266 0.000 0.751 60 L CB -0.719 41.075 42.059 -0.441 0.000 0.889 60 L HN 0.475 nan 8.230 nan 0.000 0.432 61 K N -0.640 119.669 120.400 -0.152 0.000 2.063 61 K HA -0.287 4.063 4.320 0.051 0.000 0.208 61 K C 2.121 178.710 176.600 -0.018 0.000 1.048 61 K CA 2.013 58.272 56.287 -0.046 0.000 0.928 61 K CB -0.231 32.314 32.500 0.075 0.000 0.713 61 K HN 0.495 nan 8.250 nan 0.000 0.442 62 E N 0.494 120.686 120.200 -0.013 0.000 2.033 62 E HA -0.194 4.187 4.350 0.051 0.000 0.199 62 E C 2.037 178.628 176.600 -0.016 0.000 1.011 62 E CA 1.780 58.178 56.400 -0.004 0.000 0.815 62 E CB -0.076 29.622 29.700 -0.003 0.000 0.755 62 E HN 0.311 nan 8.360 nan 0.000 0.451 63 L N 0.184 121.385 121.223 -0.037 0.000 2.141 63 L HA -0.179 4.191 4.340 0.051 0.000 0.209 63 L C 2.606 179.464 176.870 -0.021 0.000 1.094 63 L CA 0.758 55.579 54.840 -0.031 0.000 0.763 63 L CB -0.224 41.808 42.059 -0.046 0.000 0.908 63 L HN 0.199 nan 8.230 nan 0.000 0.437 64 Q N 0.495 120.275 119.800 -0.034 0.000 2.079 64 Q HA -0.201 4.169 4.340 0.051 0.000 0.200 64 Q C 1.990 178.007 176.000 0.027 0.000 0.974 64 Q CA 1.591 57.400 55.803 0.010 0.000 0.840 64 Q CB -0.002 28.740 28.738 0.007 0.000 0.898 64 Q HN 0.434 nan 8.270 nan 0.000 0.430 65 E N -0.802 119.409 120.200 0.018 0.000 2.204 65 E HA -0.177 4.204 4.350 0.051 0.000 0.194 65 E C 1.924 178.532 176.600 0.012 0.000 0.989 65 E CA 0.477 56.888 56.400 0.017 0.000 0.824 65 E CB 0.028 29.739 29.700 0.020 0.000 0.756 65 E HN 0.050 nan 8.360 nan 0.000 0.477 66 R N 1.467 121.972 120.500 0.008 0.000 2.081 66 R HA -0.125 4.246 4.340 0.051 0.000 0.235 66 R C 1.789 178.093 176.300 0.007 0.000 1.131 66 R CA 1.455 57.559 56.100 0.007 0.000 0.960 66 R CB -0.096 30.206 30.300 0.002 0.000 0.856 66 R HN 0.231 nan 8.270 nan 0.000 0.436 67 E N -0.109 120.095 120.200 0.007 0.000 2.051 67 E HA -0.188 4.192 4.350 0.051 0.000 0.192 67 E C 2.028 178.620 176.600 -0.013 0.000 0.991 67 E CA 1.416 57.817 56.400 0.001 0.000 0.799 67 E CB -0.245 29.464 29.700 0.015 0.000 0.748 67 E HN 0.273 nan 8.360 nan 0.000 0.449 68 L N 0.771 121.989 121.223 -0.008 0.000 2.081 68 L HA -0.220 4.151 4.340 0.051 0.000 0.212 68 L C 2.565 179.482 176.870 0.078 0.000 1.080 68 L CA 1.139 55.995 54.840 0.026 0.000 0.754 68 L CB -0.501 41.557 42.059 -0.002 0.000 0.893 68 L HN 0.149 nan 8.230 nan 0.000 0.433 69 A N -0.312 122.534 122.820 0.043 0.000 2.066 69 A HA -0.104 4.247 4.320 0.051 0.000 0.218 69 A C 2.080 179.679 177.584 0.026 0.000 1.157 69 A CA 0.936 53.000 52.037 0.046 0.000 0.670 69 A CB -0.317 18.700 19.000 0.028 0.000 0.804 69 A HN 0.342 nan 8.150 nan 0.000 0.453 70 R N -1.067 119.433 120.500 0.001 0.000 2.480 70 R HA 0.323 4.693 4.340 0.051 0.000 0.277 70 R C -1.010 175.261 176.300 -0.048 0.000 1.008 70 R CA -0.310 55.782 56.100 -0.014 0.000 1.090 70 R CB -0.028 30.266 30.300 -0.010 0.000 1.234 70 R HN 0.256 nan 8.270 nan 0.000 0.549 71 L N 0.361 121.529 121.223 -0.091 0.000 2.334 71 L HA 0.461 4.831 4.340 0.051 0.000 0.270 71 L C -1.945 174.838 176.870 -0.145 0.000 1.018 71 L CA -2.244 52.464 54.840 -0.220 0.000 0.811 71 L CB 0.998 42.685 42.059 -0.620 0.000 1.271 71 L HN -0.089 nan 8.230 nan 0.000 0.443 72 P HA 0.277 nan 4.420 nan 0.000 0.275 72 P C -1.328 175.992 177.300 0.033 0.000 1.266 72 P CA -0.490 62.590 63.100 -0.033 0.000 0.793 72 P CB 0.476 32.160 31.700 -0.027 0.000 1.074 73 K N 1.012 121.442 120.400 0.050 0.000 2.521 73 K HA 0.290 4.640 4.320 0.051 0.000 0.248 73 K C 0.204 176.835 176.600 0.050 0.000 0.978 73 K CA -0.471 55.861 56.287 0.075 0.000 0.947 73 K CB 1.099 33.636 32.500 0.061 0.000 1.165 73 K HN 0.302 nan 8.250 nan 0.000 0.445 74 V N -0.645 119.301 119.914 0.053 0.000 5.049 74 V HA 0.460 4.610 4.120 0.051 0.000 0.272 74 V C 0.354 176.466 176.094 0.030 0.000 1.299 74 V CA -0.107 62.215 62.300 0.037 0.000 0.684 74 V CB 0.412 32.255 31.823 0.034 0.000 1.251 74 V HN 0.542 nan 8.190 nan 0.000 0.380 75 E N -1.423 118.791 120.200 0.024 0.000 2.368 75 E HA 0.398 4.779 4.350 0.051 0.000 0.257 75 E C 0.719 177.326 176.600 0.012 0.000 1.022 75 E CA -0.010 56.400 56.400 0.017 0.000 0.886 75 E CB 0.686 30.395 29.700 0.015 0.000 1.740 75 E HN 0.860 nan 8.360 nan 0.000 0.456 76 G N 1.294 110.099 108.800 0.008 0.000 4.033 76 G HA2 -0.385 3.606 3.960 0.051 0.000 0.243 76 G HA3 -0.385 3.606 3.960 0.051 0.000 0.243 76 G C 1.065 175.968 174.900 0.004 0.000 0.867 76 G CA 2.415 47.517 45.100 0.004 0.000 0.718 76 G HN 0.551 nan 8.290 nan 0.000 1.461 77 A N -0.362 122.462 122.820 0.007 0.000 2.248 77 A HA 0.185 4.536 4.320 0.051 0.000 0.210 77 A C 2.024 179.619 177.584 0.018 0.000 1.174 77 A CA 1.814 53.857 52.037 0.010 0.000 0.750 77 A CB -0.244 18.763 19.000 0.011 0.000 0.780 77 A HN 0.656 nan 8.150 nan 0.000 0.478 78 E N -0.754 119.457 120.200 0.019 0.000 2.460 78 E HA 0.118 4.498 4.350 0.051 0.000 0.200 78 E C -0.479 176.124 176.600 0.005 0.000 1.011 78 E CA -0.250 56.166 56.400 0.028 0.000 0.912 78 E CB 0.500 30.221 29.700 0.035 0.000 0.953 78 E HN 0.327 nan 8.360 nan 0.000 0.494 79 V N 1.511 121.422 119.914 -0.005 0.000 2.521 79 V HA 0.137 4.288 4.120 0.051 0.000 0.286 79 V C 1.223 177.286 176.094 -0.051 0.000 1.034 79 V CA 0.835 63.122 62.300 -0.021 0.000 1.045 79 V CB 0.512 32.325 31.823 -0.017 0.000 0.974 79 V HN 0.507 nan 8.190 nan 0.000 0.480 80 G N 3.779 112.524 108.800 -0.092 0.000 2.283 80 G HA2 -0.352 3.638 3.960 0.051 0.000 0.280 80 G HA3 -0.352 3.638 3.960 0.051 0.000 0.280 80 G C 0.847 175.678 174.900 -0.115 0.000 1.029 80 G CA 0.910 45.927 45.100 -0.137 0.000 0.840 80 G HN 0.863 nan 8.290 nan 0.000 0.505 81 Q N -1.080 118.657 119.800 -0.105 0.000 2.135 81 Q HA 0.037 4.407 4.340 0.051 0.000 0.204 81 Q C 1.034 177.094 176.000 0.101 0.000 0.981 81 Q CA 1.954 57.764 55.803 0.012 0.000 0.856 81 Q CB -0.021 28.782 28.738 0.110 0.000 0.902 81 Q HN 1.288 nan 8.270 nan 0.000 0.425 82 Y N -4.142 116.130 120.300 -0.047 0.000 2.788 82 Y HA 0.514 5.095 4.550 0.051 0.000 0.335 82 Y C -1.880 173.981 175.900 -0.065 0.000 1.287 82 Y CA -1.651 56.418 58.100 -0.051 0.000 1.068 82 Y CB 0.552 38.991 38.460 -0.036 0.000 1.340 82 Y HN -0.197 nan 8.280 nan 0.000 0.449 83 L N 2.188 123.523 121.223 0.186 0.000 2.282 83 L HA 0.522 4.892 4.340 0.051 0.000 0.288 83 L C 0.216 177.215 176.870 0.216 0.000 1.033 83 L CA -0.118 54.764 54.840 0.070 0.000 0.807 83 L CB 1.596 43.661 42.059 0.011 0.000 1.209 83 L HN 0.843 nan 8.230 nan 0.000 0.423 84 T N 1.058 115.681 114.554 0.116 0.000 2.908 84 T HA -0.077 4.303 4.350 0.051 0.000 0.325 84 T C 1.438 176.205 174.700 0.111 0.000 1.092 84 T CA 0.559 62.757 62.100 0.164 0.000 1.125 84 T CB 0.736 69.657 68.868 0.090 0.000 1.016 84 T HN 0.762 nan 8.240 nan 0.000 0.550 85 S N 2.008 117.767 115.700 0.098 0.000 2.370 85 S HA -0.166 4.335 4.470 0.051 0.000 0.226 85 S C 2.102 176.728 174.600 0.044 0.000 1.033 85 S CA 1.376 59.609 58.200 0.055 0.000 1.011 85 S CB -0.169 63.055 63.200 0.040 0.000 0.852 85 S HN 0.639 nan 8.310 nan 0.000 0.457 86 R N 0.221 120.750 120.500 0.048 0.000 2.080 86 R HA -0.106 4.265 4.340 0.051 0.000 0.236 86 R C 2.384 178.699 176.300 0.025 0.000 1.137 86 R CA 1.661 57.785 56.100 0.040 0.000 0.943 86 R CB -0.971 29.358 30.300 0.049 0.000 0.846 86 R HN 0.403 nan 8.270 nan 0.000 0.431 87 L N 1.234 122.467 121.223 0.017 0.000 1.970 87 L HA -0.198 4.173 4.340 0.051 0.000 0.212 87 L C 2.156 179.021 176.870 -0.008 0.000 1.071 87 L CA 1.974 56.806 54.840 -0.013 0.000 0.751 87 L CB -0.718 41.325 42.059 -0.027 0.000 0.889 87 L HN 0.052 nan 8.230 nan 0.000 0.432 88 S N 0.018 115.719 115.700 0.002 0.000 2.372 88 S HA -0.205 4.295 4.470 0.051 0.000 0.227 88 S C 1.928 176.544 174.600 0.027 0.000 1.044 88 S CA 1.306 59.510 58.200 0.006 0.000 1.050 88 S CB -1.366 61.842 63.200 0.014 0.000 0.901 88 S HN 0.750 nan 8.310 nan 0.000 0.447 89 G N 1.381 110.199 108.800 0.029 0.000 2.446 89 G HA2 -0.127 3.864 3.960 0.051 0.000 0.217 89 G HA3 -0.127 3.864 3.960 0.051 0.000 0.217 89 G C 1.591 176.519 174.900 0.046 0.000 1.168 89 G CA 1.095 46.217 45.100 0.036 0.000 0.771 89 G HN 0.615 nan 8.290 nan 0.000 0.551 90 A N 0.549 123.392 122.820 0.039 0.000 1.877 90 A HA 0.076 4.426 4.320 0.051 0.000 0.216 90 A C 2.478 180.124 177.584 0.103 0.000 1.186 90 A CA 1.408 53.472 52.037 0.046 0.000 0.620 90 A CB -0.477 18.527 19.000 0.007 0.000 0.822 90 A HN 0.359 nan 8.150 nan 0.000 0.443 91 L N -0.473 120.821 121.223 0.118 0.000 2.013 91 L HA -0.270 4.100 4.340 0.051 0.000 0.212 91 L C 2.319 179.388 176.870 0.331 0.000 1.073 91 L CA 1.965 56.957 54.840 0.253 0.000 0.753 91 L CB -0.673 41.411 42.059 0.041 0.000 0.890 91 L HN 0.514 nan 8.230 nan 0.000 0.432 92 N N -1.077 117.728 118.700 0.175 0.000 2.331 92 N HA -0.136 4.635 4.740 0.051 0.000 0.180 92 N C 1.952 177.525 175.510 0.104 0.000 1.019 92 N CA 0.053 53.190 53.050 0.146 0.000 0.881 92 N CB 0.077 38.615 38.487 0.086 0.000 0.972 92 N HN 0.152 nan 8.380 nan 0.000 0.435 93 R N 1.381 121.932 120.500 0.086 0.000 2.153 93 R HA 0.106 4.477 4.340 0.051 0.000 0.218 93 R C 1.736 178.051 176.300 0.025 0.000 1.072 93 R CA 0.593 56.721 56.100 0.047 0.000 0.990 93 R CB -0.311 30.012 30.300 0.040 0.000 0.889 93 R HN 0.169 nan 8.270 nan 0.000 0.452 94 A N 0.789 123.637 122.820 0.045 0.000 1.969 94 A HA -0.123 4.227 4.320 0.051 0.000 0.218 94 A C 1.883 179.374 177.584 -0.156 0.000 1.169 94 A CA 1.203 53.200 52.037 -0.067 0.000 0.635 94 A CB -0.203 18.741 19.000 -0.094 0.000 0.810 94 A HN 0.419 nan 8.150 nan 0.000 0.445 95 E N -0.664 119.496 120.200 -0.067 0.000 2.107 95 E HA -0.064 4.317 4.350 0.051 0.000 0.191 95 E C 2.075 178.638 176.600 -0.063 0.000 0.982 95 E CA 0.624 56.973 56.400 -0.084 0.000 0.809 95 E CB -0.298 29.420 29.700 0.030 0.000 0.756 95 E HN 0.599 nan 8.360 nan 0.000 0.459 96 G N 1.076 109.858 108.800 -0.029 0.000 2.443 96 G HA2 -0.182 3.808 3.960 0.051 0.000 0.219 96 G HA3 -0.182 3.808 3.960 0.051 0.000 0.219 96 G C 1.532 176.408 174.900 -0.041 0.000 1.131 96 G CA 0.314 45.399 45.100 -0.025 0.000 0.775 96 G HN 0.076 nan 8.290 nan 0.000 0.547 97 L N 0.459 121.649 121.223 -0.056 0.000 2.209 97 L HA 0.095 4.465 4.340 0.051 0.000 0.207 97 L C 2.965 179.785 176.870 -0.083 0.000 1.094 97 L CA 0.861 55.665 54.840 -0.061 0.000 0.790 97 L CB -0.372 41.652 42.059 -0.058 0.000 0.932 97 L HN 0.364 nan 8.230 nan 0.000 0.447 98 M N -1.059 118.467 119.600 -0.122 0.000 2.358 98 M HA -0.150 4.360 4.480 0.051 0.000 0.264 98 M C 1.562 177.804 176.300 -0.097 0.000 1.064 98 M CA 1.672 56.890 55.300 -0.135 0.000 1.093 98 M CB -0.529 31.954 32.600 -0.195 0.000 1.401 98 M HN 0.159 nan 8.290 nan 0.000 0.440 99 E N 1.781 121.934 120.200 -0.079 0.000 2.028 99 E HA -0.196 4.185 4.350 0.051 0.000 0.190 99 E C 2.019 178.590 176.600 -0.048 0.000 0.984 99 E CA 1.658 58.022 56.400 -0.060 0.000 0.800 99 E CB -0.242 29.429 29.700 -0.048 0.000 0.758 99 E HN 0.847 nan 8.360 nan 0.000 0.448 100 E N 1.444 121.619 120.200 -0.042 0.000 2.130 100 E HA -0.217 4.164 4.350 0.051 0.000 0.196 100 E C 2.041 178.622 176.600 -0.033 0.000 0.998 100 E CA 1.233 57.614 56.400 -0.032 0.000 0.806 100 E CB -0.395 29.289 29.700 -0.027 0.000 0.738 100 E HN 0.233 nan 8.360 nan 0.000 0.459 101 L N 0.218 121.416 121.223 -0.042 0.000 2.270 101 L HA 0.078 4.448 4.340 0.051 0.000 0.210 101 L C 0.441 177.285 176.870 -0.043 0.000 1.104 101 L CA 0.494 55.310 54.840 -0.040 0.000 0.804 101 L CB -0.417 41.614 42.059 -0.047 0.000 0.937 101 L HN 0.061 nan 8.230 nan 0.000 0.450 102 K N 1.382 121.750 120.400 -0.052 0.000 3.549 102 K HA -0.115 4.236 4.320 0.051 0.000 0.275 102 K C -1.214 175.349 176.600 -0.062 0.000 1.060 102 K CA 0.259 56.513 56.287 -0.055 0.000 0.812 102 K CB -1.496 30.979 32.500 -0.042 0.000 1.374 102 K HN 0.274 nan 8.250 nan 0.000 0.455 103 D N 0.930 121.282 120.400 -0.079 0.000 2.481 103 D HA 0.110 4.781 4.640 0.051 0.000 0.246 103 D C 0.983 177.210 176.300 -0.121 0.000 1.109 103 D CA -0.641 53.311 54.000 -0.080 0.000 0.845 103 D CB 1.639 42.397 40.800 -0.070 0.000 1.160 103 D HN 0.192 nan 8.370 nan 0.000 0.534 104 R N 2.101 122.510 120.500 -0.152 0.000 2.112 104 R HA -0.189 4.181 4.340 0.051 0.000 0.242 104 R C -0.180 175.871 176.300 -0.415 0.000 1.137 104 R CA 1.528 57.443 56.100 -0.308 0.000 0.944 104 R CB 0.068 30.130 30.300 -0.396 0.000 0.857 104 R HN 0.379 nan 8.270 nan 0.000 0.435 105 Y N -0.395 119.868 120.300 -0.063 0.000 2.360 105 Y HA 0.266 4.846 4.550 0.050 0.000 0.337 105 Y C -0.192 175.611 175.900 -0.162 0.000 1.039 105 Y CA -1.130 56.926 58.100 -0.073 0.000 1.109 105 Y CB 1.889 40.337 38.460 -0.021 0.000 1.201 105 Y HN -0.248 nan 8.280 nan 0.000 0.458 106 V N 4.293 124.118 119.914 -0.148 0.000 2.450 106 V HA 0.288 4.438 4.120 0.051 0.000 0.281 106 V C 0.600 176.524 176.094 -0.283 0.000 1.019 106 V CA -0.333 61.664 62.300 -0.505 0.000 1.062 106 V CB -0.634 30.272 31.823 -1.528 0.000 0.979 106 V HN 0.886 nan 8.190 nan 0.000 0.477 107 A N 4.830 127.535 122.820 -0.192 0.000 2.242 107 A HA 0.634 4.984 4.320 0.051 0.000 0.304 107 A C 1.295 178.848 177.584 -0.051 0.000 1.100 107 A CA 0.036 52.035 52.037 -0.063 0.000 0.860 107 A CB 1.042 20.023 19.000 -0.031 0.000 1.168 107 A HN 1.158 nan 8.150 nan 0.000 0.503 108 V N -1.193 118.738 119.914 0.029 0.000 2.515 108 V HA -0.172 3.978 4.120 0.051 0.000 0.250 108 V C 1.637 177.756 176.094 0.042 0.000 1.058 108 V CA 2.302 64.642 62.300 0.066 0.000 1.064 108 V CB -1.217 30.657 31.823 0.085 0.000 0.675 108 V HN 0.886 nan 8.190 nan 0.000 0.461 109 D N 1.902 122.314 120.400 0.021 0.000 2.149 109 D HA -0.206 4.464 4.640 0.051 0.000 0.201 109 D C 2.148 178.443 176.300 -0.009 0.000 0.972 109 D CA 1.998 56.012 54.000 0.023 0.000 0.835 109 D CB -0.872 39.939 40.800 0.019 0.000 0.966 109 D HN 0.641 nan 8.370 nan 0.000 0.476 110 T N -0.714 113.802 114.554 -0.063 0.000 2.962 110 T HA -0.109 4.271 4.350 0.051 0.000 0.270 110 T C 2.011 176.638 174.700 -0.122 0.000 1.088 110 T CA 0.691 62.726 62.100 -0.108 0.000 1.127 110 T CB -0.400 68.357 68.868 -0.185 0.000 0.883 110 T HN 0.101 nan 8.240 nan 0.000 0.493 111 L N 1.140 122.300 121.223 -0.105 0.000 2.179 111 L HA 0.255 4.625 4.340 0.051 0.000 0.208 111 L C 2.452 179.324 176.870 0.004 0.000 1.096 111 L CA 1.052 55.872 54.840 -0.032 0.000 0.779 111 L CB -0.671 41.458 42.059 0.117 0.000 0.922 111 L HN 0.150 nan 8.230 nan 0.000 0.443 112 V N -0.180 119.753 119.914 0.032 0.000 2.427 112 V HA -0.282 3.868 4.120 0.051 0.000 0.248 112 V C 2.570 178.721 176.094 0.096 0.000 1.051 112 V CA 1.886 64.240 62.300 0.090 0.000 1.048 112 V CB -0.573 31.341 31.823 0.151 0.000 0.666 112 V HN 0.423 nan 8.190 nan 0.000 0.456 113 L N 0.253 121.507 121.223 0.052 0.000 1.970 113 L HA -0.212 4.158 4.340 0.051 0.000 0.212 113 L C 2.836 179.732 176.870 0.044 0.000 1.071 113 L CA 1.861 56.728 54.840 0.045 0.000 0.751 113 L CB -1.058 41.007 42.059 0.010 0.000 0.889 113 L HN 0.352 nan 8.230 nan 0.000 0.432 114 A N 0.337 123.167 122.820 0.017 0.000 1.884 114 A HA -0.231 4.120 4.320 0.051 0.000 0.219 114 A C 2.258 179.856 177.584 0.024 0.000 1.197 114 A CA 2.006 54.056 52.037 0.021 0.000 0.637 114 A CB -0.958 18.059 19.000 0.027 0.000 0.827 114 A HN 0.407 nan 8.150 nan 0.000 0.450 115 L N -1.084 120.128 121.223 -0.018 0.000 2.093 115 L HA -0.155 4.216 4.340 0.051 0.000 0.208 115 L C 2.990 179.978 176.870 0.197 0.000 1.085 115 L CA 0.954 55.753 54.840 -0.068 0.000 0.755 115 L CB -0.673 41.058 42.059 -0.547 0.000 0.904 115 L HN 0.445 nan 8.230 nan 0.000 0.435 116 A N -0.065 122.909 122.820 0.257 0.000 2.186 116 A HA -0.193 4.157 4.320 0.051 0.000 0.219 116 A C 2.090 179.772 177.584 0.163 0.000 1.159 116 A CA 1.518 53.718 52.037 0.272 0.000 0.680 116 A CB -0.340 18.772 19.000 0.187 0.000 0.787 116 A HN 0.530 nan 8.150 nan 0.000 0.467 117 E N -0.638 119.635 120.200 0.121 0.000 2.127 117 E HA 0.144 4.524 4.350 0.051 0.000 0.191 117 E C 1.902 178.554 176.600 0.087 0.000 0.964 117 E CA 0.579 57.029 56.400 0.083 0.000 0.832 117 E CB -0.124 29.610 29.700 0.056 0.000 0.790 117 E HN 0.522 nan 8.360 nan 0.000 0.465 118 A N 1.128 124.007 122.820 0.098 0.000 2.252 118 A HA 0.018 4.369 4.320 0.051 0.000 0.207 118 A C 0.665 178.332 177.584 0.138 0.000 1.194 118 A CA 0.484 52.578 52.037 0.094 0.000 0.809 118 A CB -0.093 18.948 19.000 0.068 0.000 0.814 118 A HN 0.000 nan 8.150 nan 0.000 0.482 119 T N 2.396 117.056 114.554 0.177 0.000 3.154 119 T HA 0.367 4.747 4.350 0.051 0.000 0.381 119 T C -2.900 171.863 174.700 0.104 0.000 1.368 119 T CA -1.097 61.119 62.100 0.194 0.000 1.155 119 T CB 0.863 69.926 68.868 0.326 0.000 1.120 119 T HN 0.018 nan 8.240 nan 0.000 0.570 120 P HA 0.256 nan 4.420 nan 0.000 0.253 120 P C 0.893 178.205 177.300 0.020 0.000 1.170 120 P CA 0.970 64.094 63.100 0.041 0.000 0.806 120 P CB -0.023 31.698 31.700 0.035 0.000 0.775 121 G N 1.947 110.753 108.800 0.010 0.000 2.363 121 G HA2 -0.020 3.970 3.960 0.051 0.000 0.213 121 G HA3 -0.020 3.970 3.960 0.051 0.000 0.213 121 G C -0.548 174.337 174.900 -0.026 0.000 1.028 121 G CA -0.583 44.508 45.100 -0.014 0.000 0.822 121 G HN 0.414 nan 8.290 nan 0.000 0.536 122 L N -0.655 120.565 121.223 -0.005 0.000 2.415 122 L HA 0.544 4.914 4.340 0.051 0.000 0.256 122 L C -1.470 175.403 176.870 0.006 0.000 1.010 122 L CA -2.182 52.653 54.840 -0.009 0.000 0.826 122 L CB 1.417 43.482 42.059 0.009 0.000 1.405 122 L HN -0.072 nan 8.230 nan 0.000 0.410 123 P HA 0.068 nan 4.420 nan 0.000 0.217 123 P C 0.374 177.684 177.300 0.016 0.000 1.235 123 P CA 0.900 64.002 63.100 0.004 0.000 0.726 123 P CB 0.244 31.942 31.700 -0.003 0.000 0.664 124 G N -3.207 105.603 108.800 0.017 0.000 4.259 124 G HA2 0.128 4.119 3.960 0.051 0.000 0.193 124 G HA3 0.128 4.119 3.960 0.051 0.000 0.193 124 G C 0.234 175.145 174.900 0.018 0.000 1.373 124 G CA 0.678 45.791 45.100 0.021 0.000 1.011 124 G HN 0.408 nan 8.290 nan 0.000 0.408 125 L N -0.446 120.783 121.223 0.010 0.000 2.877 125 L HA 0.533 4.904 4.340 0.051 0.000 0.275 125 L C 1.747 178.619 176.870 0.003 0.000 1.027 125 L CA 1.562 56.406 54.840 0.006 0.000 1.135 125 L CB 0.198 42.259 42.059 0.003 0.000 2.080 125 L HN 0.287 nan 8.230 nan 0.000 0.560 126 E N 0.382 120.583 120.200 0.002 0.000 2.028 126 E HA -0.110 4.270 4.350 0.051 0.000 0.191 126 E C 1.904 178.503 176.600 -0.002 0.000 0.988 126 E CA 1.422 57.821 56.400 -0.001 0.000 0.799 126 E CB -0.034 29.665 29.700 -0.002 0.000 0.755 126 E HN 0.528 nan 8.360 nan 0.000 0.447 127 A N 0.516 123.334 122.820 -0.003 0.000 2.066 127 A HA -0.035 4.315 4.320 0.051 0.000 0.218 127 A C 2.065 179.646 177.584 -0.004 0.000 1.157 127 A CA 0.676 52.709 52.037 -0.007 0.000 0.670 127 A CB -0.307 18.686 19.000 -0.011 0.000 0.804 127 A HN 0.282 nan 8.150 nan 0.000 0.453 128 L N -1.378 119.847 121.223 0.003 0.000 2.102 128 L HA -0.007 4.363 4.340 0.051 0.000 0.202 128 L C 2.405 179.280 176.870 0.008 0.000 1.076 128 L CA 1.397 56.242 54.840 0.010 0.000 0.761 128 L CB -0.266 41.805 42.059 0.021 0.000 0.921 128 L HN 0.239 nan 8.230 nan 0.000 0.444 129 K N 0.895 121.297 120.400 0.005 0.000 2.439 129 K HA -0.019 4.331 4.320 0.051 0.000 0.197 129 K C 1.755 178.356 176.600 0.002 0.000 1.041 129 K CA 0.909 57.197 56.287 0.002 0.000 0.970 129 K CB -0.331 32.168 32.500 -0.002 0.000 0.773 129 K HN 0.185 nan 8.250 nan 0.000 0.479 130 G N -0.494 108.307 108.800 0.001 0.000 2.448 130 G HA2 -0.126 3.865 3.960 0.051 0.000 0.218 130 G HA3 -0.126 3.865 3.960 0.051 0.000 0.218 130 G C 1.423 176.325 174.900 0.003 0.000 1.135 130 G CA 0.660 45.760 45.100 0.001 0.000 0.784 130 G HN 0.380 nan 8.290 nan 0.000 0.543 131 A N -0.036 122.787 122.820 0.004 0.000 1.997 131 A HA 0.398 4.749 4.320 0.051 0.000 0.212 131 A C 2.179 179.772 177.584 0.015 0.000 1.178 131 A CA 0.625 52.667 52.037 0.009 0.000 0.698 131 A CB -0.188 18.816 19.000 0.007 0.000 0.842 131 A HN 0.329 nan 8.150 nan 0.000 0.458 132 L N -0.442 120.789 121.223 0.013 0.000 2.072 132 L HA -0.077 4.294 4.340 0.051 0.000 0.205 132 L C 2.423 179.299 176.870 0.010 0.000 1.079 132 L CA 1.959 56.807 54.840 0.014 0.000 0.752 132 L CB -0.254 41.810 42.059 0.009 0.000 0.906 132 L HN 0.404 nan 8.230 nan 0.000 0.436 133 K N -0.146 120.258 120.400 0.006 0.000 2.147 133 K HA -0.267 4.083 4.320 0.051 0.000 0.205 133 K C 1.878 178.482 176.600 0.007 0.000 1.049 133 K CA 1.616 57.906 56.287 0.004 0.000 0.936 133 K CB 0.045 32.546 32.500 0.002 0.000 0.722 133 K HN 0.194 nan 8.250 nan 0.000 0.446 134 E N 0.567 120.773 120.200 0.010 0.000 2.409 134 E HA -0.079 4.301 4.350 0.051 0.000 0.198 134 E C -0.460 176.149 176.600 0.016 0.000 1.024 134 E CA 0.349 56.756 56.400 0.012 0.000 0.861 134 E CB 0.101 29.809 29.700 0.013 0.000 0.788 134 E HN 0.150 nan 8.360 nan 0.000 0.521 135 L N 0.287 121.521 121.223 0.017 0.000 2.341 135 L HA 0.400 4.771 4.340 0.051 0.000 0.278 135 L C 0.038 176.917 176.870 0.016 0.000 1.005 135 L CA -0.549 54.303 54.840 0.020 0.000 0.818 135 L CB 1.123 43.198 42.059 0.026 0.000 1.259 135 L HN -0.047 nan 8.230 nan 0.000 0.418 136 R N 2.721 123.231 120.500 0.016 0.000 3.603 136 R HA -0.262 4.109 4.340 0.051 0.000 0.560 136 R C 0.477 176.783 176.300 0.009 0.000 0.241 136 R CA 1.602 57.710 56.100 0.013 0.000 1.735 136 R CB -1.687 28.621 30.300 0.013 0.000 0.912 136 R HN 1.072 nan 8.270 nan 0.000 0.603 137 G N -2.479 106.325 108.800 0.006 0.000 3.962 137 G HA2 0.272 4.263 3.960 0.051 0.000 0.147 137 G HA3 0.272 4.263 3.960 0.051 0.000 0.147 137 G C 0.098 174.997 174.900 -0.002 0.000 1.294 137 G CA 0.483 45.585 45.100 0.002 0.000 1.011 137 G HN 0.837 nan 8.290 nan 0.000 0.432 138 G N 0.646 109.446 108.800 -0.001 0.000 4.975 138 G HA2 0.436 4.427 3.960 0.051 0.000 0.312 138 G HA3 0.436 4.427 3.960 0.051 0.000 0.312 138 G C 0.750 175.650 174.900 0.000 0.000 1.425 138 G CA -0.003 45.095 45.100 -0.004 0.000 1.076 138 G HN 0.360 nan 8.290 nan 0.000 0.586 139 R N 0.472 120.973 120.500 0.002 0.000 2.159 139 R HA -0.078 4.292 4.340 0.051 0.000 0.237 139 R C 1.220 177.527 176.300 0.012 0.000 1.131 139 R CA 1.244 57.347 56.100 0.006 0.000 0.982 139 R CB -0.604 29.700 30.300 0.006 0.000 0.868 139 R HN 0.184 nan 8.270 nan 0.000 0.453 140 T N 0.973 115.537 114.554 0.016 0.000 4.313 140 T HA 0.161 4.541 4.350 0.051 0.000 0.272 140 T C 0.878 175.611 174.700 0.054 0.000 1.298 140 T CA -0.159 61.967 62.100 0.044 0.000 1.124 140 T CB 0.130 69.020 68.868 0.038 0.000 1.352 140 T HN -0.081 nan 8.240 nan 0.000 1.013 141 V N 0.762 120.705 119.914 0.048 0.000 2.355 141 V HA 0.130 4.280 4.120 0.051 0.000 0.224 141 V C 0.878 177.033 176.094 0.102 0.000 1.073 141 V CA 0.482 62.809 62.300 0.044 0.000 1.059 141 V CB -0.136 31.697 31.823 0.017 0.000 0.678 141 V HN 0.418 nan 8.190 nan 0.000 0.479 142 Q N -0.609 119.239 119.800 0.080 0.000 2.337 142 Q HA 0.329 4.700 4.340 0.051 0.000 0.266 142 Q C 0.596 176.618 176.000 0.036 0.000 1.023 142 Q CA 0.508 56.375 55.803 0.106 0.000 0.829 142 Q CB 1.662 30.431 28.738 0.052 0.000 1.306 142 Q HN 0.455 nan 8.270 nan 0.000 0.449 143 T N 1.744 116.276 114.554 -0.038 0.000 2.821 143 T HA -0.057 4.324 4.350 0.051 0.000 0.267 143 T C 0.483 175.125 174.700 -0.096 0.000 1.046 143 T CA 1.396 63.415 62.100 -0.135 0.000 1.139 143 T CB 0.048 68.672 68.868 -0.407 0.000 0.871 143 T HN 0.575 nan 8.240 nan 0.000 0.454 144 E N 0.294 120.447 120.200 -0.080 0.000 2.421 144 E HA 0.232 4.612 4.350 0.051 0.000 0.253 144 E C -0.172 176.443 176.600 0.024 0.000 1.277 144 E CA -0.265 56.120 56.400 -0.025 0.000 0.968 144 E CB -0.005 29.687 29.700 -0.013 0.000 1.040 144 E HN 0.524 nan 8.360 nan 0.000 0.512 145 H N 0.512 119.548 119.070 -0.056 0.000 2.988 145 H HA -0.137 4.450 4.556 0.052 0.000 0.264 145 H C -0.712 174.582 175.328 -0.058 0.000 0.809 145 H CA 1.310 57.330 56.048 -0.047 0.000 1.412 145 H CB -0.406 29.332 29.762 -0.040 0.000 1.190 145 H HN 0.795 nan 8.280 nan 0.000 0.556 146 A N 3.379 125.908 122.820 -0.484 0.000 2.302 146 A HA -0.087 4.264 4.320 0.051 0.000 0.634 146 A C 0.099 177.583 177.584 -0.167 0.000 0.278 146 A CA 0.566 52.399 52.037 -0.340 0.000 0.218 146 A CB -0.993 17.840 19.000 -0.279 0.000 3.675 146 A HN 0.911 nan 8.150 nan 0.000 0.507 147 E N 2.474 122.599 120.200 -0.125 0.000 2.194 147 E HA 0.526 4.906 4.350 0.051 0.000 0.284 147 E C 0.705 177.273 176.600 -0.053 0.000 1.035 147 E CA 1.168 57.527 56.400 -0.069 0.000 0.836 147 E CB 0.656 30.327 29.700 -0.047 0.000 1.070 147 E HN 2.052 nan 8.360 nan 0.000 0.401 148 S N 3.357 119.031 115.700 -0.042 0.000 3.884 148 S HA -0.162 4.338 4.470 0.051 0.000 0.374 148 S C -0.337 174.244 174.600 -0.031 0.000 0.971 148 S CA 0.566 58.752 58.200 -0.023 0.000 1.152 148 S CB -1.898 61.301 63.200 -0.003 0.000 0.877 148 S HN 0.662 nan 8.310 nan 0.000 0.491 149 T N 2.605 117.108 114.554 -0.085 0.000 2.849 149 T HA 0.072 4.452 4.350 0.051 0.000 0.289 149 T C 0.485 175.159 174.700 -0.045 0.000 1.010 149 T CA 1.271 63.275 62.100 -0.160 0.000 1.161 149 T CB -0.402 68.261 68.868 -0.341 0.000 0.989 149 T HN 0.744 nan 8.240 nan 0.000 0.523 150 Y N -0.149 120.140 120.300 -0.018 0.000 3.790 150 Y HA -0.255 4.323 4.550 0.047 0.000 0.226 150 Y C 0.628 176.523 175.900 -0.008 0.000 1.257 150 Y CA -0.209 57.881 58.100 -0.017 0.000 1.765 150 Y CB -1.949 36.510 38.460 -0.003 0.000 1.552 150 Y HN 0.843 nan 8.280 nan 0.000 0.650 151 N N 0.216 118.995 118.700 0.132 0.000 2.411 151 N HA 0.510 5.281 4.740 0.051 0.000 0.259 151 N C 0.770 176.326 175.510 0.077 0.000 1.103 151 N CA 0.246 53.348 53.050 0.087 0.000 0.954 151 N CB 1.817 40.336 38.487 0.054 0.000 1.085 151 N HN 0.218 nan 8.380 nan 0.000 0.485 152 A N 3.487 126.372 122.820 0.108 0.000 1.954 152 A HA -0.267 4.083 4.320 0.051 0.000 0.222 152 A C 1.931 179.615 177.584 0.168 0.000 1.199 152 A CA 1.497 53.646 52.037 0.186 0.000 0.657 152 A CB -1.023 18.096 19.000 0.198 0.000 0.823 152 A HN 0.801 nan 8.150 nan 0.000 0.463 153 L N -1.332 119.954 121.223 0.105 0.000 2.012 153 L HA -0.232 4.138 4.340 0.051 0.000 0.210 153 L C 2.696 179.593 176.870 0.046 0.000 1.073 153 L CA 2.033 56.922 54.840 0.082 0.000 0.748 153 L CB -0.428 41.668 42.059 0.061 0.000 0.891 153 L HN 0.570 nan 8.230 nan 0.000 0.431 154 E N -0.534 119.676 120.200 0.017 0.000 2.347 154 E HA -0.235 4.145 4.350 0.051 0.000 0.196 154 E C 1.919 178.473 176.600 -0.076 0.000 1.008 154 E CA 0.881 57.274 56.400 -0.013 0.000 0.852 154 E CB 0.155 29.852 29.700 -0.005 0.000 0.783 154 E HN 0.298 nan 8.360 nan 0.000 0.505 155 Q N -0.906 118.804 119.800 -0.151 0.000 2.061 155 Q HA 0.003 4.373 4.340 0.051 0.000 0.195 155 Q C 0.489 176.148 176.000 -0.567 0.000 0.967 155 Q CA 1.424 56.960 55.803 -0.445 0.000 0.829 155 Q CB -0.023 28.288 28.738 -0.713 0.000 0.900 155 Q HN 0.471 nan 8.270 nan 0.000 0.450 156 Y N -1.182 119.098 120.300 -0.032 0.000 2.681 156 Y HA 0.606 5.177 4.550 0.034 0.000 0.267 156 Y C 0.292 176.176 175.900 -0.026 0.000 1.166 156 Y CA -0.245 57.830 58.100 -0.042 0.000 1.209 156 Y CB 0.957 39.372 38.460 -0.075 0.000 1.161 156 Y HN 0.036 nan 8.280 nan 0.000 0.534 157 G N 0.446 109.293 108.800 0.078 0.000 2.638 157 G HA2 0.621 4.612 3.960 0.051 0.000 0.302 157 G HA3 0.621 4.612 3.960 0.051 0.000 0.302 157 G C -1.199 173.728 174.900 0.046 0.000 1.365 157 G CA -0.714 44.426 45.100 0.067 0.000 0.987 157 G HN 0.107 nan 8.290 nan 0.000 0.495 158 I N 1.647 122.250 120.570 0.055 0.000 2.365 158 I HA 0.170 4.370 4.170 0.051 0.000 0.291 158 I C -0.436 175.722 176.117 0.068 0.000 1.004 158 I CA -0.571 60.762 61.300 0.054 0.000 1.311 158 I CB 1.793 39.830 38.000 0.062 0.000 1.401 158 I HN 0.324 nan 8.210 nan 0.000 0.491 159 D N 7.351 127.782 120.400 0.052 0.000 2.441 159 D HA 0.171 4.841 4.640 0.051 0.000 0.221 159 D C 0.973 177.302 176.300 0.050 0.000 1.156 159 D CA -0.129 53.902 54.000 0.051 0.000 0.896 159 D CB 0.989 41.810 40.800 0.035 0.000 1.028 159 D HN 0.482 nan 8.370 nan 0.000 0.509 160 L N 2.344 123.604 121.223 0.063 0.000 1.994 160 L HA -0.199 4.171 4.340 0.051 0.000 0.208 160 L C 2.604 179.491 176.870 0.028 0.000 1.071 160 L CA 1.522 56.392 54.840 0.049 0.000 0.745 160 L CB -0.917 41.173 42.059 0.052 0.000 0.892 160 L HN 0.436 nan 8.230 nan 0.000 0.431 161 T N -1.942 112.625 114.554 0.023 0.000 2.822 161 T HA -0.293 4.088 4.350 0.051 0.000 0.270 161 T C 1.823 176.532 174.700 0.014 0.000 1.064 161 T CA 1.538 63.646 62.100 0.012 0.000 1.131 161 T CB -0.368 68.506 68.868 0.010 0.000 0.858 161 T HN 0.252 nan 8.240 nan 0.000 0.483 162 R N 1.134 121.646 120.500 0.020 0.000 2.061 162 R HA 0.124 4.494 4.340 0.051 0.000 0.230 162 R C 2.508 178.820 176.300 0.019 0.000 1.140 162 R CA 1.123 57.234 56.100 0.019 0.000 0.940 162 R CB -0.673 29.640 30.300 0.021 0.000 0.839 162 R HN 0.416 nan 8.270 nan 0.000 0.429 163 L N 0.436 121.672 121.223 0.021 0.000 2.013 163 L HA -0.206 4.164 4.340 0.051 0.000 0.212 163 L C 2.687 179.568 176.870 0.017 0.000 1.073 163 L CA 1.532 56.385 54.840 0.020 0.000 0.753 163 L CB -0.781 41.292 42.059 0.024 0.000 0.890 163 L HN 0.399 nan 8.230 nan 0.000 0.432 164 A N -0.022 122.806 122.820 0.015 0.000 1.978 164 A HA -0.170 4.180 4.320 0.051 0.000 0.220 164 A C 2.542 180.129 177.584 0.005 0.000 1.170 164 A CA 1.805 53.847 52.037 0.009 0.000 0.636 164 A CB -0.638 18.364 19.000 0.002 0.000 0.810 164 A HN 0.439 nan 8.150 nan 0.000 0.448 165 A N 0.747 123.572 122.820 0.008 0.000 1.898 165 A HA -0.131 4.220 4.320 0.051 0.000 0.216 165 A C 1.749 179.339 177.584 0.011 0.000 1.181 165 A CA 1.421 53.462 52.037 0.007 0.000 0.620 165 A CB -0.488 18.520 19.000 0.014 0.000 0.819 165 A HN 0.746 nan 8.150 nan 0.000 0.442 166 E N -0.575 119.636 120.200 0.017 0.000 2.368 166 E HA 0.361 4.741 4.350 0.051 0.000 0.188 166 E C 0.798 177.409 176.600 0.019 0.000 1.061 166 E CA 0.175 56.588 56.400 0.021 0.000 0.933 166 E CB -0.708 29.006 29.700 0.023 0.000 1.091 166 E HN 0.661 nan 8.360 nan 0.000 0.458 167 G N 2.428 111.237 108.800 0.015 0.000 2.321 167 G HA2 -0.374 3.616 3.960 0.051 0.000 0.287 167 G HA3 -0.374 3.616 3.960 0.051 0.000 0.287 167 G C 0.880 175.795 174.900 0.025 0.000 1.018 167 G CA 1.005 46.117 45.100 0.019 0.000 0.855 167 G HN 0.330 nan 8.290 nan 0.000 0.507 168 K N -0.636 119.776 120.400 0.021 0.000 2.186 168 K HA 0.286 4.636 4.320 0.051 0.000 0.202 168 K C 1.526 178.140 176.600 0.023 0.000 1.052 168 K CA 0.327 56.626 56.287 0.018 0.000 0.965 168 K CB -0.052 32.457 32.500 0.015 0.000 0.746 168 K HN 0.502 nan 8.250 nan 0.000 0.457 169 L N 2.019 123.259 121.223 0.027 0.000 2.439 169 L HA 0.080 4.451 4.340 0.051 0.000 0.269 169 L C -0.001 176.897 176.870 0.046 0.000 1.179 169 L CA -0.381 54.480 54.840 0.034 0.000 0.828 169 L CB 0.539 42.615 42.059 0.028 0.000 1.106 169 L HN 0.206 nan 8.230 nan 0.000 0.467 170 D N 2.718 123.154 120.400 0.059 0.000 2.382 170 D HA 0.153 4.823 4.640 0.051 0.000 0.245 170 D C -2.152 174.190 176.300 0.069 0.000 1.120 170 D CA -0.978 53.072 54.000 0.084 0.000 0.890 170 D CB 0.863 41.729 40.800 0.110 0.000 1.201 170 D HN 0.229 nan 8.370 nan 0.000 0.433 171 P HA -0.036 nan 4.420 nan 0.000 0.258 171 P C -0.229 177.098 177.300 0.046 0.000 1.214 171 P CA -0.081 63.051 63.100 0.054 0.000 0.872 171 P CB 0.225 31.960 31.700 0.059 0.000 0.890 172 V N 3.899 123.831 119.914 0.031 0.000 2.498 172 V HA 0.584 4.734 4.120 0.051 0.000 0.279 172 V C 0.123 176.225 176.094 0.014 0.000 1.048 172 V CA -0.520 61.793 62.300 0.022 0.000 0.967 172 V CB 0.592 32.421 31.823 0.010 0.000 0.988 172 V HN 0.431 nan 8.190 nan 0.000 0.473 173 I N 1.446 122.023 120.570 0.012 0.000 2.828 173 I HA 0.926 5.126 4.170 0.051 0.000 0.302 173 I C 0.631 176.748 176.117 0.001 0.000 1.101 173 I CA -0.467 60.837 61.300 0.006 0.000 1.031 173 I CB 2.176 40.180 38.000 0.007 0.000 1.231 173 I HN 1.200 nan 8.210 nan 0.000 0.427 174 G N 3.505 112.304 108.800 -0.002 0.000 2.198 174 G HA2 -0.253 3.737 3.960 0.051 0.000 0.257 174 G HA3 -0.253 3.737 3.960 0.051 0.000 0.257 174 G C 0.276 175.174 174.900 -0.004 0.000 1.042 174 G CA 0.259 45.357 45.100 -0.004 0.000 0.791 174 G HN 0.813 nan 8.290 nan 0.000 0.502 175 R N -0.690 119.807 120.500 -0.005 0.000 2.635 175 R HA 0.199 4.570 4.340 0.051 0.000 0.393 175 R C 1.067 177.362 176.300 -0.008 0.000 1.070 175 R CA 0.124 56.221 56.100 -0.005 0.000 1.118 175 R CB 0.195 30.491 30.300 -0.007 0.000 1.341 175 R HN 0.284 nan 8.270 nan 0.000 0.628 176 D N 1.415 121.811 120.400 -0.007 0.000 2.097 176 D HA -0.229 4.442 4.640 0.051 0.000 0.195 176 D C 1.625 177.921 176.300 -0.006 0.000 0.989 176 D CA 1.564 55.559 54.000 -0.008 0.000 0.827 176 D CB 0.450 41.247 40.800 -0.006 0.000 0.966 176 D HN 0.366 nan 8.370 nan 0.000 0.456 177 E N -0.427 119.771 120.200 -0.002 0.000 2.070 177 E HA -0.276 4.104 4.350 0.051 0.000 0.197 177 E C 1.873 178.474 176.600 0.001 0.000 1.004 177 E CA 1.490 57.891 56.400 0.002 0.000 0.805 177 E CB 0.020 29.724 29.700 0.006 0.000 0.744 177 E HN 0.283 nan 8.360 nan 0.000 0.451 178 E N 0.475 120.675 120.200 -0.001 0.000 2.072 178 E HA -0.142 4.238 4.350 0.051 0.000 0.191 178 E C 2.050 178.639 176.600 -0.018 0.000 0.985 178 E CA 1.084 57.481 56.400 -0.005 0.000 0.801 178 E CB -0.138 29.558 29.700 -0.007 0.000 0.750 178 E HN 0.386 nan 8.360 nan 0.000 0.452 179 I N 0.694 121.251 120.570 -0.022 0.000 2.113 179 I HA -0.315 3.886 4.170 0.051 0.000 0.238 179 I C 2.321 178.425 176.117 -0.023 0.000 1.070 179 I CA 1.310 62.593 61.300 -0.030 0.000 1.332 179 I CB -0.325 37.658 38.000 -0.028 0.000 1.044 179 I HN 0.052 nan 8.210 nan 0.000 0.402 180 R N 0.276 120.767 120.500 -0.015 0.000 2.119 180 R HA -0.262 4.108 4.340 0.051 0.000 0.246 180 R C 2.419 178.714 176.300 -0.008 0.000 1.146 180 R CA 1.713 57.807 56.100 -0.010 0.000 0.962 180 R CB -0.538 29.758 30.300 -0.006 0.000 0.863 180 R HN 0.224 nan 8.270 nan 0.000 0.442 181 R N 1.086 121.582 120.500 -0.006 0.000 2.081 181 R HA -0.087 4.283 4.340 0.051 0.000 0.235 181 R C 2.026 178.320 176.300 -0.010 0.000 1.131 181 R CA 1.447 57.546 56.100 -0.002 0.000 0.960 181 R CB -0.743 29.559 30.300 0.003 0.000 0.856 181 R HN 0.054 nan 8.270 nan 0.000 0.436 182 V N 1.023 120.925 119.914 -0.020 0.000 2.287 182 V HA -0.265 3.885 4.120 0.051 0.000 0.248 182 V C 2.341 178.424 176.094 -0.017 0.000 1.053 182 V CA 1.797 64.082 62.300 -0.026 0.000 1.027 182 V CB -0.520 31.276 31.823 -0.045 0.000 0.646 182 V HN 0.252 nan 8.190 nan 0.000 0.447 183 I N 0.021 120.580 120.570 -0.018 0.000 2.118 183 I HA -0.348 3.852 4.170 0.051 0.000 0.241 183 I C 2.581 178.695 176.117 -0.006 0.000 1.070 183 I CA 2.148 63.440 61.300 -0.013 0.000 1.327 183 I CB -1.392 36.599 38.000 -0.014 0.000 1.034 183 I HN 0.504 nan 8.210 nan 0.000 0.405 184 Q N 0.976 120.774 119.800 -0.004 0.000 2.045 184 Q HA -0.236 4.135 4.340 0.051 0.000 0.206 184 Q C 2.398 178.401 176.000 0.004 0.000 0.991 184 Q CA 2.232 58.036 55.803 0.002 0.000 0.851 184 Q CB -0.176 28.565 28.738 0.005 0.000 0.911 184 Q HN 0.499 nan 8.270 nan 0.000 0.418 185 I N 0.710 121.283 120.570 0.005 0.000 2.194 185 I HA -0.334 3.866 4.170 0.051 0.000 0.246 185 I C 2.264 178.387 176.117 0.011 0.000 1.093 185 I CA 1.099 62.406 61.300 0.010 0.000 1.355 185 I CB -0.353 37.654 38.000 0.012 0.000 1.046 185 I HN 0.329 nan 8.210 nan 0.000 0.413 186 L N 0.171 121.399 121.223 0.008 0.000 2.265 186 L HA -0.184 4.187 4.340 0.051 0.000 0.215 186 L C 2.285 179.158 176.870 0.005 0.000 1.117 186 L CA 1.028 55.873 54.840 0.008 0.000 0.782 186 L CB -0.398 41.665 42.059 0.006 0.000 0.914 186 L HN 0.337 nan 8.230 nan 0.000 0.441 187 L N -1.053 120.172 121.223 0.004 0.000 2.446 187 L HA 0.028 4.398 4.340 0.051 0.000 0.219 187 L C 1.216 178.089 176.870 0.003 0.000 1.116 187 L CA 0.005 54.847 54.840 0.003 0.000 0.844 187 L CB -0.302 41.758 42.059 0.002 0.000 0.970 187 L HN 0.173 nan 8.230 nan 0.000 0.457 188 R N 0.818 121.320 120.500 0.004 0.000 2.694 188 R HA 0.018 4.388 4.340 0.051 0.000 0.268 188 R C 1.272 177.571 176.300 -0.001 0.000 1.061 188 R CA 0.021 56.124 56.100 0.004 0.000 1.133 188 R CB 0.564 30.868 30.300 0.008 0.000 1.020 188 R HN 0.265 nan 8.270 nan 0.000 0.475 189 R N 0.054 120.554 120.500 -0.001 0.000 2.175 189 R HA 0.069 4.439 4.340 0.051 0.000 0.202 189 R C 1.180 177.473 176.300 -0.012 0.000 1.018 189 R CA 0.615 56.711 56.100 -0.006 0.000 1.029 189 R CB -0.172 30.126 30.300 -0.003 0.000 0.959 189 R HN 0.412 nan 8.270 nan 0.000 0.480 190 T N 1.153 115.702 114.554 -0.007 0.000 2.668 190 T HA 0.005 4.385 4.350 0.051 0.000 0.258 190 T C 0.286 174.973 174.700 -0.021 0.000 1.051 190 T CA 1.160 63.254 62.100 -0.010 0.000 1.155 190 T CB -0.003 68.867 68.868 0.002 0.000 0.864 190 T HN 0.203 nan 8.240 nan 0.000 0.413 191 K N 2.473 122.868 120.400 -0.009 0.000 2.527 191 K HA 0.314 4.664 4.320 0.051 0.000 0.240 191 K C -0.361 176.236 176.600 -0.005 0.000 0.989 191 K CA -0.315 55.964 56.287 -0.013 0.000 0.985 191 K CB 0.808 33.326 32.500 0.029 0.000 1.221 191 K HN 0.290 nan 8.250 nan 0.000 0.458 192 N N 0.083 118.767 118.700 -0.026 0.000 2.205 192 N HA -0.014 4.757 4.740 0.051 0.000 0.201 192 N C -0.425 175.092 175.510 0.012 0.000 1.128 192 N CA -0.399 52.648 53.050 -0.006 0.000 0.867 192 N CB 0.380 38.860 38.487 -0.012 0.000 0.996 192 N HN 0.211 nan 8.380 nan 0.000 0.503 193 N N 2.692 121.397 118.700 0.009 0.000 2.678 193 N HA 0.225 4.996 4.740 0.051 0.000 0.231 193 N C -2.714 172.948 175.510 0.253 0.000 1.038 193 N CA -1.060 52.056 53.050 0.109 0.000 0.932 193 N CB 1.293 39.788 38.487 0.012 0.000 1.176 193 N HN 0.315 nan 8.380 nan 0.000 0.511 194 P HA 0.077 nan 4.420 nan 0.000 0.281 194 P C -0.309 177.022 177.300 0.052 0.000 1.252 194 P CA -0.296 62.850 63.100 0.076 0.000 0.778 194 P CB 1.753 33.462 31.700 0.016 0.000 0.895 195 V N 5.611 125.482 119.914 -0.072 0.000 2.459 195 V HA 0.350 4.500 4.120 0.051 0.000 0.295 195 V C -0.496 175.455 176.094 -0.238 0.000 1.029 195 V CA -1.122 61.078 62.300 -0.166 0.000 0.874 195 V CB 1.145 32.768 31.823 -0.333 0.000 0.985 195 V HN 0.325 nan 8.190 nan 0.000 0.438 196 L N 7.464 128.604 121.223 -0.139 0.000 2.260 196 L HA 0.475 4.846 4.340 0.051 0.000 0.289 196 L C -0.752 176.031 176.870 -0.144 0.000 1.057 196 L CA -0.326 54.433 54.840 -0.135 0.000 0.811 196 L CB 1.163 43.193 42.059 -0.049 0.000 1.184 196 L HN 0.527 nan 8.230 nan 0.000 0.429 197 I N 3.182 123.624 120.570 -0.213 0.000 2.321 197 I HA 0.729 4.929 4.170 0.051 0.000 0.291 197 I C 0.620 176.727 176.117 -0.016 0.000 0.998 197 I CA 0.035 61.253 61.300 -0.138 0.000 1.227 197 I CB 1.596 39.462 38.000 -0.223 0.000 1.368 197 I HN 0.593 nan 8.210 nan 0.000 0.466 198 G N 3.663 112.477 108.800 0.023 0.000 2.576 198 G HA2 0.503 4.494 3.960 0.051 0.000 0.290 198 G HA3 0.503 4.494 3.960 0.051 0.000 0.290 198 G C -1.544 173.389 174.900 0.056 0.000 1.442 198 G CA -0.640 44.492 45.100 0.054 0.000 0.792 198 G HN 0.382 nan 8.290 nan 0.000 0.491 199 E N -0.092 120.145 120.200 0.061 0.000 2.374 199 E HA 0.527 4.908 4.350 0.051 0.000 0.260 199 E C -2.188 174.444 176.600 0.053 0.000 1.101 199 E CA -1.343 55.092 56.400 0.058 0.000 0.907 199 E CB 0.807 30.543 29.700 0.059 0.000 1.014 199 E HN 0.156 nan 8.360 nan 0.000 0.427 200 P HA 0.154 nan 4.420 nan 0.000 0.271 200 P C 0.027 177.358 177.300 0.053 0.000 1.226 200 P CA 0.995 64.124 63.100 0.049 0.000 0.765 200 P CB 0.829 32.555 31.700 0.044 0.000 0.835 201 G N 1.736 110.569 108.800 0.056 0.000 2.213 201 G HA2 -0.286 3.704 3.960 0.051 0.000 0.236 201 G HA3 -0.286 3.704 3.960 0.051 0.000 0.236 201 G C 0.989 175.922 174.900 0.054 0.000 0.991 201 G CA 0.142 45.278 45.100 0.058 0.000 0.629 201 G HN 0.389 nan 8.290 nan 0.000 0.517 202 V N 0.717 120.661 119.914 0.051 0.000 2.720 202 V HA 0.333 4.483 4.120 0.051 0.000 0.256 202 V C 2.187 178.304 176.094 0.039 0.000 1.082 202 V CA 2.420 64.747 62.300 0.044 0.000 1.101 202 V CB -0.603 31.247 31.823 0.045 0.000 0.693 202 V HN 2.183 nan 8.190 nan 0.000 0.479 203 G N -0.135 108.692 108.800 0.044 0.000 2.309 203 G HA2 -0.182 3.809 3.960 0.051 0.000 0.183 203 G HA3 -0.182 3.809 3.960 0.051 0.000 0.183 203 G C 0.496 175.414 174.900 0.030 0.000 1.063 203 G CA 0.289 45.413 45.100 0.038 0.000 0.768 203 G HN 0.392 nan 8.290 nan 0.000 0.490 204 K N -0.571 119.854 120.400 0.041 0.000 2.001 204 K HA -0.040 4.310 4.320 0.051 0.000 0.208 204 K C 2.599 179.211 176.600 0.020 0.000 1.048 204 K CA 1.812 58.119 56.287 0.033 0.000 0.932 204 K CB -0.209 32.326 32.500 0.058 0.000 0.715 204 K HN 0.309 nan 8.250 nan 0.000 0.437 205 T N 1.294 115.891 114.554 0.072 0.000 2.803 205 T HA -0.154 4.226 4.350 0.051 0.000 0.269 205 T C 1.951 176.637 174.700 -0.024 0.000 1.052 205 T CA 1.285 63.425 62.100 0.067 0.000 1.136 205 T CB -0.261 68.712 68.868 0.175 0.000 0.864 205 T HN 0.324 nan 8.240 nan 0.000 0.467 206 A N 1.819 124.641 122.820 0.004 0.000 1.908 206 A HA -0.084 4.266 4.320 0.051 0.000 0.218 206 A C 2.227 179.785 177.584 -0.042 0.000 1.181 206 A CA 1.145 53.179 52.037 -0.005 0.000 0.627 206 A CB -0.688 18.320 19.000 0.014 0.000 0.818 206 A HN 0.389 nan 8.150 nan 0.000 0.445 207 I N -0.054 120.483 120.570 -0.054 0.000 2.118 207 I HA -0.237 3.963 4.170 0.051 0.000 0.241 207 I C 2.561 178.603 176.117 -0.125 0.000 1.070 207 I CA 1.517 62.773 61.300 -0.073 0.000 1.327 207 I CB -1.484 36.474 38.000 -0.070 0.000 1.034 207 I HN 0.172 nan 8.210 nan 0.000 0.405 208 V N 1.964 121.747 119.914 -0.218 0.000 2.220 208 V HA -0.284 3.866 4.120 0.051 0.000 0.246 208 V C 2.565 178.524 176.094 -0.226 0.000 1.049 208 V CA 2.311 64.405 62.300 -0.343 0.000 1.003 208 V CB -1.103 30.238 31.823 -0.803 0.000 0.634 208 V HN 0.557 nan 8.190 nan 0.000 0.444 209 E N 0.973 121.068 120.200 -0.175 0.000 2.209 209 E HA -0.164 4.217 4.350 0.051 0.000 0.196 209 E C 2.191 178.759 176.600 -0.054 0.000 0.993 209 E CA 1.495 57.847 56.400 -0.080 0.000 0.819 209 E CB -0.678 29.007 29.700 -0.024 0.000 0.745 209 E HN 0.568 nan 8.360 nan 0.000 0.477 210 G N 2.066 110.831 108.800 -0.059 0.000 2.404 210 G HA2 -0.241 3.750 3.960 0.051 0.000 0.215 210 G HA3 -0.241 3.750 3.960 0.051 0.000 0.215 210 G C 1.562 176.435 174.900 -0.044 0.000 1.174 210 G CA 0.855 45.931 45.100 -0.039 0.000 0.780 210 G HN 0.288 nan 8.290 nan 0.000 0.537 211 L N 1.634 122.818 121.223 -0.065 0.000 2.083 211 L HA 0.139 4.509 4.340 0.051 0.000 0.209 211 L C 2.933 179.773 176.870 -0.049 0.000 1.083 211 L CA 2.092 56.896 54.840 -0.060 0.000 0.752 211 L CB -0.979 41.032 42.059 -0.080 0.000 0.899 211 L HN 0.238 nan 8.230 nan 0.000 0.433 212 A N -0.630 122.157 122.820 -0.055 0.000 1.873 212 A HA -0.308 4.042 4.320 0.051 0.000 0.218 212 A C 2.186 179.756 177.584 -0.023 0.000 1.193 212 A CA 2.154 54.169 52.037 -0.035 0.000 0.629 212 A CB -0.751 18.232 19.000 -0.030 0.000 0.826 212 A HN 0.701 nan 8.150 nan 0.000 0.447 213 Q N -0.841 118.947 119.800 -0.021 0.000 2.096 213 Q HA -0.205 4.165 4.340 0.051 0.000 0.204 213 Q C 2.387 178.375 176.000 -0.020 0.000 0.982 213 Q CA 1.611 57.404 55.803 -0.015 0.000 0.850 213 Q CB -0.252 28.480 28.738 -0.010 0.000 0.901 213 Q HN 0.627 nan 8.270 nan 0.000 0.422 214 R N 0.385 120.871 120.500 -0.023 0.000 2.083 214 R HA -0.124 4.247 4.340 0.051 0.000 0.237 214 R C 2.345 178.629 176.300 -0.026 0.000 1.137 214 R CA 1.293 57.378 56.100 -0.025 0.000 0.951 214 R CB -0.444 29.841 30.300 -0.025 0.000 0.851 214 R HN 0.301 nan 8.270 nan 0.000 0.434 215 I N 0.521 121.077 120.570 -0.025 0.000 2.151 215 I HA -0.287 3.913 4.170 0.051 0.000 0.243 215 I C 2.235 178.338 176.117 -0.023 0.000 1.080 215 I CA 1.368 62.654 61.300 -0.023 0.000 1.339 215 I CB -0.353 37.635 38.000 -0.019 0.000 1.039 215 I HN -0.002 nan 8.210 nan 0.000 0.409 216 V N 0.626 120.528 119.914 -0.020 0.000 2.720 216 V HA -0.233 3.917 4.120 0.051 0.000 0.256 216 V C 2.033 178.109 176.094 -0.031 0.000 1.082 216 V CA 1.664 63.951 62.300 -0.021 0.000 1.101 216 V CB -0.705 31.109 31.823 -0.015 0.000 0.693 216 V HN 0.416 nan 8.190 nan 0.000 0.479 217 K N -0.419 119.961 120.400 -0.033 0.000 2.367 217 K HA 0.297 4.647 4.320 0.051 0.000 0.194 217 K C 1.481 178.056 176.600 -0.041 0.000 1.027 217 K CA 0.607 56.869 56.287 -0.042 0.000 1.075 217 K CB 0.578 33.055 32.500 -0.039 0.000 0.845 217 K HN 0.491 nan 8.250 nan 0.000 0.529 218 G N 2.276 111.054 108.800 -0.036 0.000 2.148 218 G HA2 -0.297 3.693 3.960 0.051 0.000 0.254 218 G HA3 -0.297 3.693 3.960 0.051 0.000 0.254 218 G C 0.550 175.431 174.900 -0.032 0.000 0.981 218 G CA 0.648 45.726 45.100 -0.035 0.000 0.670 218 G HN 0.448 nan 8.290 nan 0.000 0.528 219 D N -0.276 120.106 120.400 -0.030 0.000 2.312 219 D HA 0.014 4.684 4.640 0.051 0.000 0.211 219 D C 1.340 177.626 176.300 -0.024 0.000 0.964 219 D CA 1.002 54.986 54.000 -0.027 0.000 0.877 219 D CB 0.174 40.959 40.800 -0.026 0.000 0.924 219 D HN 0.464 nan 8.370 nan 0.000 0.515 220 V N 1.123 121.022 119.914 -0.025 0.000 2.644 220 V HA 0.264 4.414 4.120 0.051 0.000 0.295 220 V C -1.854 174.227 176.094 -0.022 0.000 1.053 220 V CA -1.573 60.713 62.300 -0.022 0.000 0.987 220 V CB 1.535 33.344 31.823 -0.023 0.000 1.006 220 V HN -0.062 nan 8.190 nan 0.000 0.472 221 P HA 0.082 nan 4.420 nan 0.000 0.286 221 P C -0.589 176.699 177.300 -0.020 0.000 1.278 221 P CA -0.137 62.953 63.100 -0.017 0.000 0.785 221 P CB 0.250 31.943 31.700 -0.013 0.000 1.269 222 E N -0.742 119.447 120.200 -0.018 0.000 2.349 222 E HA 0.358 4.738 4.350 0.051 0.000 0.265 222 E C 1.207 177.798 176.600 -0.015 0.000 1.064 222 E CA 0.588 56.976 56.400 -0.021 0.000 0.886 222 E CB 0.393 30.083 29.700 -0.018 0.000 1.036 222 E HN 0.745 nan 8.360 nan 0.000 0.413 223 G N 1.252 110.041 108.800 -0.017 0.000 2.217 223 G HA2 -0.257 3.733 3.960 0.051 0.000 0.246 223 G HA3 -0.257 3.733 3.960 0.051 0.000 0.246 223 G C 0.664 175.558 174.900 -0.010 0.000 0.990 223 G CA 0.363 45.457 45.100 -0.009 0.000 0.627 223 G HN 0.440 nan 8.290 nan 0.000 0.522 224 L N -0.127 121.087 121.223 -0.015 0.000 3.128 224 L HA 0.170 4.540 4.340 0.051 0.000 0.277 224 L C 2.387 179.245 176.870 -0.020 0.000 1.171 224 L CA 0.702 55.533 54.840 -0.014 0.000 1.008 224 L CB 0.223 42.274 42.059 -0.013 0.000 1.442 224 L HN 0.173 nan 8.230 nan 0.000 0.584 225 K N 1.271 121.655 120.400 -0.027 0.000 2.107 225 K HA -0.162 4.188 4.320 0.051 0.000 0.211 225 K C 1.594 178.173 176.600 -0.035 0.000 1.049 225 K CA 2.052 58.318 56.287 -0.035 0.000 0.927 225 K CB -1.347 31.125 32.500 -0.047 0.000 0.714 225 K HN 0.227 nan 8.250 nan 0.000 0.452 226 G N -0.499 108.280 108.800 -0.034 0.000 3.062 226 G HA2 0.065 4.055 3.960 0.051 0.000 0.228 226 G HA3 0.065 4.055 3.960 0.051 0.000 0.228 226 G C -0.232 174.660 174.900 -0.014 0.000 1.094 226 G CA -0.545 44.538 45.100 -0.029 0.000 0.782 226 G HN 0.070 nan 8.290 nan 0.000 0.541 227 K N 0.522 120.916 120.400 -0.010 0.000 2.457 227 K HA 0.194 4.545 4.320 0.051 0.000 0.269 227 K C 0.407 177.009 176.600 0.004 0.000 0.969 227 K CA 0.256 56.542 56.287 -0.000 0.000 0.921 227 K CB 0.327 32.828 32.500 0.001 0.000 0.940 227 K HN 0.253 nan 8.250 nan 0.000 0.517 228 R N 2.089 122.597 120.500 0.013 0.000 2.502 228 R HA 0.362 4.733 4.340 0.051 0.000 0.300 228 R C -0.989 175.330 176.300 0.030 0.000 0.984 228 R CA -0.412 55.700 56.100 0.019 0.000 0.882 228 R CB 0.689 31.002 30.300 0.021 0.000 1.180 228 R HN 0.562 nan 8.270 nan 0.000 0.444 229 I N 4.970 125.559 120.570 0.032 0.000 2.315 229 I HA 0.273 4.474 4.170 0.051 0.000 0.291 229 I C -0.423 175.742 176.117 0.081 0.000 1.006 229 I CA -0.926 60.405 61.300 0.051 0.000 1.265 229 I CB 1.796 39.810 38.000 0.022 0.000 1.387 229 I HN 0.247 nan 8.210 nan 0.000 0.475 230 V N 5.123 125.103 119.914 0.110 0.000 2.409 230 V HA 0.220 4.370 4.120 0.051 0.000 0.291 230 V C 0.180 176.380 176.094 0.175 0.000 1.020 230 V CA -0.525 61.846 62.300 0.119 0.000 0.848 230 V CB 1.752 33.626 31.823 0.086 0.000 0.990 230 V HN 0.775 nan 8.190 nan 0.000 0.430 231 S N 5.472 121.287 115.700 0.192 0.000 2.411 231 S HA 0.435 4.936 4.470 0.051 0.000 0.294 231 S C -0.404 174.216 174.600 0.033 0.000 1.115 231 S CA -0.549 57.759 58.200 0.180 0.000 1.071 231 S CB 0.196 63.568 63.200 0.287 0.000 0.967 231 S HN 0.586 nan 8.310 nan 0.000 0.488 232 L N 5.294 126.499 121.223 -0.029 0.000 2.483 232 L HA 0.317 4.687 4.340 0.051 0.000 0.276 232 L C -0.294 176.549 176.870 -0.044 0.000 1.213 232 L CA 1.011 55.839 54.840 -0.021 0.000 0.843 232 L CB 0.550 42.592 42.059 -0.030 0.000 1.107 232 L HN 0.584 nan 8.230 nan 0.000 0.487 233 Q N 6.007 125.813 119.800 0.010 0.000 2.363 233 Q HA 0.293 4.663 4.340 0.051 0.000 0.265 233 Q C -0.367 175.649 176.000 0.027 0.000 1.032 233 Q CA -0.267 55.548 55.803 0.019 0.000 0.746 233 Q CB 1.691 30.461 28.738 0.055 0.000 1.237 233 Q HN 0.811 nan 8.270 nan 0.000 0.475 247 F N 3.016 122.934 119.950 -0.052 0.000 2.063 247 F HA -0.168 4.385 4.527 0.044 0.000 0.298 247 F C 1.861 177.607 175.800 -0.089 0.000 1.109 247 F CA 2.557 60.511 58.000 -0.077 0.000 1.212 247 F CB 0.026 38.988 39.000 -0.064 0.000 0.973 247 F HN 0.029 nan 8.300 nan 0.000 0.480 248 E N -0.308 120.074 120.200 0.303 0.000 2.333 248 E HA -0.246 4.134 4.350 0.051 0.000 0.198 248 E C 2.089 178.696 176.600 0.011 0.000 1.007 248 E CA 0.925 57.425 56.400 0.168 0.000 0.845 248 E CB -0.315 29.472 29.700 0.145 0.000 0.766 248 E HN 0.641 nan 8.360 nan 0.000 0.507 249 E N 1.508 121.698 120.200 -0.016 0.000 2.058 249 E HA -0.247 4.133 4.350 0.051 0.000 0.194 249 E C 2.175 178.724 176.600 -0.085 0.000 0.997 249 E CA 1.518 57.896 56.400 -0.037 0.000 0.801 249 E CB 0.071 29.754 29.700 -0.029 0.000 0.746 249 E HN 0.254 nan 8.360 nan 0.000 0.450 250 R N 0.251 120.641 120.500 -0.182 0.000 2.093 250 R HA -0.072 4.299 4.340 0.051 0.000 0.224 250 R C 2.560 178.697 176.300 -0.272 0.000 1.101 250 R CA 0.954 56.900 56.100 -0.256 0.000 0.979 250 R CB -0.740 29.273 30.300 -0.479 0.000 0.877 250 R HN 0.175 nan 8.270 nan 0.000 0.441 251 L N 1.769 122.812 121.223 -0.300 0.000 2.013 251 L HA -0.140 4.231 4.340 0.051 0.000 0.212 251 L C 2.234 179.058 176.870 -0.076 0.000 1.073 251 L CA 1.925 56.647 54.840 -0.196 0.000 0.753 251 L CB -0.448 41.565 42.059 -0.077 0.000 0.890 251 L HN 0.032 nan 8.230 nan 0.000 0.432 252 K N -0.111 120.262 120.400 -0.044 0.000 2.057 252 K HA -0.032 4.318 4.320 0.051 0.000 0.207 252 K C 2.077 178.672 176.600 -0.009 0.000 1.049 252 K CA 1.334 57.614 56.287 -0.010 0.000 0.931 252 K CB -0.604 31.896 32.500 0.000 0.000 0.714 252 K HN 0.507 nan 8.250 nan 0.000 0.440 253 A N 0.536 123.343 122.820 -0.021 0.000 2.024 253 A HA -0.123 4.227 4.320 0.051 0.000 0.220 253 A C 2.356 179.952 177.584 0.020 0.000 1.164 253 A CA 1.669 53.709 52.037 0.004 0.000 0.643 253 A CB -0.367 18.638 19.000 0.008 0.000 0.806 253 A HN 0.102 nan 8.150 nan 0.000 0.451 254 V N -0.301 119.615 119.914 0.003 0.000 2.300 254 V HA -0.144 4.006 4.120 0.051 0.000 0.241 254 V C 2.314 178.425 176.094 0.028 0.000 1.034 254 V CA 1.411 63.727 62.300 0.027 0.000 1.021 254 V CB -0.695 31.132 31.823 0.007 0.000 0.662 254 V HN 0.652 nan 8.190 nan 0.000 0.458 255 I N 1.049 121.630 120.570 0.018 0.000 2.194 255 I HA -0.364 3.836 4.170 0.051 0.000 0.246 255 I C 2.692 178.826 176.117 0.028 0.000 1.093 255 I CA 2.340 63.657 61.300 0.028 0.000 1.355 255 I CB -0.182 37.835 38.000 0.028 0.000 1.046 255 I HN 0.590 nan 8.210 nan 0.000 0.413 256 Q N 0.038 119.852 119.800 0.024 0.000 2.436 256 Q HA -0.231 4.139 4.340 0.051 0.000 0.209 256 Q C 1.843 177.859 176.000 0.027 0.000 0.965 256 Q CA 1.475 57.292 55.803 0.024 0.000 0.910 256 Q CB -0.299 28.451 28.738 0.020 0.000 0.980 256 Q HN 0.655 nan 8.270 nan 0.000 0.491 257 E N 0.375 120.595 120.200 0.032 0.000 2.340 257 E HA -0.037 4.343 4.350 0.051 0.000 0.194 257 E C 1.589 178.210 176.600 0.036 0.000 0.996 257 E CA 0.457 56.879 56.400 0.036 0.000 0.869 257 E CB 0.460 30.186 29.700 0.044 0.000 0.835 257 E HN 0.297 nan 8.360 nan 0.000 0.493 258 V N 0.611 120.547 119.914 0.037 0.000 2.488 258 V HA -0.154 3.997 4.120 0.051 0.000 0.246 258 V C 2.293 178.407 176.094 0.034 0.000 1.046 258 V CA 1.265 63.589 62.300 0.039 0.000 1.053 258 V CB 0.038 31.888 31.823 0.045 0.000 0.679 258 V HN 0.239 nan 8.190 nan 0.000 0.458 259 V N 0.022 119.955 119.914 0.030 0.000 2.515 259 V HA -0.258 3.892 4.120 0.051 0.000 0.250 259 V C 2.317 178.426 176.094 0.025 0.000 1.058 259 V CA 2.050 64.366 62.300 0.026 0.000 1.064 259 V CB -0.305 31.532 31.823 0.022 0.000 0.675 259 V HN 0.625 nan 8.190 nan 0.000 0.461 260 Q N -0.401 119.414 119.800 0.026 0.000 2.369 260 Q HA -0.084 4.287 4.340 0.051 0.000 0.206 260 Q C 2.253 178.269 176.000 0.026 0.000 0.963 260 Q CA 1.426 57.243 55.803 0.025 0.000 0.894 260 Q CB -0.043 28.709 28.738 0.025 0.000 0.965 260 Q HN 0.649 nan 8.270 nan 0.000 0.475 261 S N 0.544 116.261 115.700 0.028 0.000 2.489 261 S HA -0.059 4.441 4.470 0.051 0.000 0.228 261 S C -0.049 174.568 174.600 0.028 0.000 0.995 261 S CA 0.177 58.394 58.200 0.029 0.000 0.934 261 S CB 0.172 63.390 63.200 0.030 0.000 0.771 261 S HN 0.376 nan 8.310 nan 0.000 0.522 262 Q N -0.638 119.178 119.800 0.027 0.000 2.447 262 Q HA -0.152 4.218 4.340 0.051 0.000 0.316 262 Q C 0.729 176.744 176.000 0.025 0.000 1.448 262 Q CA 0.078 55.896 55.803 0.026 0.000 0.804 262 Q CB -2.268 26.487 28.738 0.028 0.000 1.107 262 Q HN 0.617 nan 8.270 nan 0.000 0.373 263 G N 0.411 109.225 108.800 0.024 0.000 2.216 263 G HA2 -0.411 3.580 3.960 0.051 0.000 0.269 263 G HA3 -0.411 3.580 3.960 0.051 0.000 0.269 263 G C 0.529 175.442 174.900 0.023 0.000 0.981 263 G CA 1.094 46.208 45.100 0.023 0.000 0.658 263 G HN 0.535 nan 8.290 nan 0.000 0.539 264 E N -0.478 119.736 120.200 0.024 0.000 2.502 264 E HA 0.340 4.721 4.350 0.051 0.000 0.194 264 E C 0.467 177.081 176.600 0.023 0.000 1.062 264 E CA 0.451 56.863 56.400 0.021 0.000 0.867 264 E CB 0.233 29.946 29.700 0.022 0.000 0.888 264 E HN 0.395 nan 8.360 nan 0.000 0.510 265 V N 2.259 122.190 119.914 0.029 0.000 2.488 265 V HA 0.263 4.413 4.120 0.051 0.000 0.293 265 V C -0.618 175.504 176.094 0.045 0.000 1.027 265 V CA -0.855 61.467 62.300 0.036 0.000 0.862 265 V CB 1.549 33.395 31.823 0.039 0.000 1.008 265 V HN 0.028 nan 8.190 nan 0.000 0.428 266 I N 5.350 125.950 120.570 0.050 0.000 2.371 266 I HA 0.333 4.533 4.170 0.051 0.000 0.290 266 I C -0.081 176.094 176.117 0.097 0.000 1.028 266 I CA -0.370 60.968 61.300 0.065 0.000 1.345 266 I CB 1.358 39.390 38.000 0.053 0.000 1.407 266 I HN 0.429 nan 8.210 nan 0.000 0.501 267 L N 7.958 129.248 121.223 0.112 0.000 2.312 267 L HA 0.450 4.821 4.340 0.051 0.000 0.281 267 L C -0.977 176.024 176.870 0.219 0.000 1.070 267 L CA -0.057 54.865 54.840 0.137 0.000 0.805 267 L CB 1.024 43.144 42.059 0.102 0.000 1.174 267 L HN 0.384 nan 8.230 nan 0.000 0.434 268 F N 6.703 126.678 119.950 0.042 0.000 2.445 268 F HA 0.550 5.107 4.527 0.049 0.000 0.348 268 F C -0.860 174.963 175.800 0.038 0.000 1.125 268 F CA -1.352 56.671 58.000 0.038 0.000 0.983 268 F CB 0.653 39.671 39.000 0.030 0.000 1.198 268 F HN 0.321 nan 8.300 nan 0.000 0.436 269 I N 6.886 127.314 120.570 -0.237 0.000 2.291 269 I HA 0.111 4.311 4.170 0.051 0.000 0.290 269 I C 0.962 176.721 176.117 -0.597 0.000 1.050 269 I CA -0.331 60.753 61.300 -0.359 0.000 1.245 269 I CB 0.834 38.772 38.000 -0.103 0.000 1.405 269 I HN 0.596 nan 8.210 nan 0.000 0.478 270 D N 5.177 125.088 120.400 -0.815 0.000 2.240 270 D HA -0.147 4.523 4.640 0.051 0.000 0.204 270 D C 0.799 176.986 176.300 -0.188 0.000 1.018 270 D CA 1.835 55.493 54.000 -0.571 0.000 0.887 270 D CB 0.486 41.078 40.800 -0.346 0.000 1.087 270 D HN 0.404 nan 8.370 nan 0.000 0.464 292 K N 0.763 121.213 120.400 0.083 0.000 2.009 292 K HA -0.089 4.262 4.320 0.051 0.000 0.210 292 K C -0.883 175.748 176.600 0.051 0.000 1.049 292 K CA 2.170 58.510 56.287 0.088 0.000 0.929 292 K CB -0.977 31.570 32.500 0.079 0.000 0.714 292 K HN 0.254 nan 8.250 nan 0.000 0.440 293 P HA -0.169 nan 4.420 nan 0.000 0.214 293 P C 0.469 177.779 177.300 0.017 0.000 1.169 293 P CA 2.027 65.141 63.100 0.024 0.000 0.908 293 P CB -0.156 31.558 31.700 0.023 0.000 0.791 294 A N -1.987 120.846 122.820 0.022 0.000 2.223 294 A HA 0.081 4.431 4.320 0.051 0.000 0.222 294 A C 1.421 179.010 177.584 0.009 0.000 1.317 294 A CA 0.500 52.547 52.037 0.016 0.000 0.985 294 A CB -1.386 17.627 19.000 0.022 0.000 0.858 294 A HN 0.200 nan 8.150 nan 0.000 0.496 295 L N -3.451 117.772 121.223 0.000 0.000 3.284 295 L HA 0.487 4.858 4.340 0.051 0.000 0.294 295 L C 1.865 178.701 176.870 -0.058 0.000 1.183 295 L CA 1.257 56.077 54.840 -0.033 0.000 1.056 295 L CB -0.133 41.914 42.059 -0.021 0.000 1.513 295 L HN 0.170 nan 8.230 nan 0.000 0.601 296 A N -0.048 122.755 122.820 -0.028 0.000 1.887 296 A HA 0.054 4.404 4.320 0.051 0.000 0.212 296 A C 2.200 179.768 177.584 -0.026 0.000 1.198 296 A CA 0.864 52.884 52.037 -0.029 0.000 0.628 296 A CB -0.250 18.745 19.000 -0.009 0.000 0.847 296 A HN 0.336 nan 8.150 nan 0.000 0.449 297 R N -0.751 119.739 120.500 -0.016 0.000 2.105 297 R HA 0.070 4.440 4.340 0.051 0.000 0.239 297 R C 0.588 176.878 176.300 -0.018 0.000 1.135 297 R CA 0.826 56.918 56.100 -0.013 0.000 0.967 297 R CB -0.271 30.026 30.300 -0.006 0.000 0.861 297 R HN 0.747 nan 8.270 nan 0.000 0.442 298 G N 1.040 109.825 108.800 -0.025 0.000 2.403 298 G HA2 0.006 3.997 3.960 0.051 0.000 0.393 298 G HA3 0.006 3.997 3.960 0.051 0.000 0.393 298 G C -1.081 173.806 174.900 -0.021 0.000 1.106 298 G CA -0.462 44.620 45.100 -0.029 0.000 1.305 298 G HN 0.145 nan 8.290 nan 0.000 0.628 299 E N -0.184 120.002 120.200 -0.024 0.000 2.382 299 E HA 0.663 5.043 4.350 0.051 0.000 0.280 299 E C -0.475 176.121 176.600 -0.007 0.000 1.161 299 E CA -0.212 56.182 56.400 -0.010 0.000 0.905 299 E CB 0.932 30.632 29.700 -0.001 0.000 1.268 299 E HN 2.081 nan 8.360 nan 0.000 0.426 300 L N 1.518 122.745 121.223 0.006 0.000 2.443 300 L HA -0.100 4.271 4.340 0.051 0.000 0.645 300 L C -1.409 175.474 176.870 0.021 0.000 1.007 300 L CA 1.033 55.885 54.840 0.020 0.000 1.350 300 L CB -0.303 41.772 42.059 0.027 0.000 2.011 300 L HN 0.653 nan 8.230 nan 0.000 0.954 301 R N 4.222 124.739 120.500 0.029 0.000 2.288 301 R HA 0.596 4.966 4.340 0.051 0.000 0.330 301 R C -0.249 176.092 176.300 0.068 0.000 1.069 301 R CA -0.552 55.569 56.100 0.035 0.000 0.941 301 R CB 0.633 30.952 30.300 0.031 0.000 0.998 301 R HN 0.479 nan 8.270 nan 0.000 0.452 302 L N 4.123 125.402 121.223 0.094 0.000 2.354 302 L HA 0.581 4.952 4.340 0.051 0.000 0.269 302 L C -1.049 175.936 176.870 0.191 0.000 1.005 302 L CA -0.664 54.270 54.840 0.156 0.000 0.819 302 L CB 1.811 43.993 42.059 0.205 0.000 1.311 302 L HN 0.531 nan 8.230 nan 0.000 0.423 303 I N 3.829 124.525 120.570 0.209 0.000 2.418 303 I HA 0.576 4.776 4.170 0.051 0.000 0.287 303 I C 0.371 176.661 176.117 0.287 0.000 1.008 303 I CA -0.456 60.964 61.300 0.200 0.000 1.104 303 I CB 1.705 39.778 38.000 0.121 0.000 1.264 303 I HN 0.798 nan 8.210 nan 0.000 0.438 304 G N 4.276 113.189 108.800 0.189 0.000 2.753 304 G HA2 0.900 4.890 3.960 0.051 0.000 0.285 304 G HA3 0.900 4.890 3.960 0.051 0.000 0.285 304 G C -1.294 173.697 174.900 0.150 0.000 1.344 304 G CA -0.672 44.511 45.100 0.139 0.000 1.050 304 G HN 0.777 nan 8.290 nan 0.000 0.532 305 A N -1.130 121.740 122.820 0.083 0.000 2.534 305 A HA 0.697 5.048 4.320 0.051 0.000 0.300 305 A C -0.556 177.036 177.584 0.012 0.000 1.054 305 A CA 0.381 52.462 52.037 0.073 0.000 0.858 305 A CB 1.222 20.360 19.000 0.229 0.000 1.333 305 A HN 1.612 nan 8.150 nan 0.000 0.391 306 T N 0.282 114.824 114.554 -0.019 0.000 2.661 306 T HA 0.686 5.067 4.350 0.051 0.000 0.305 306 T C 0.142 174.841 174.700 -0.001 0.000 1.441 306 T CA 0.491 62.583 62.100 -0.013 0.000 0.999 306 T CB 0.990 69.841 68.868 -0.028 0.000 1.650 306 T HN 1.017 nan 8.240 nan 0.000 0.489 307 T N 1.790 116.353 114.554 0.014 0.000 2.732 307 T HA 0.324 4.704 4.350 0.051 0.000 0.287 307 T C 1.380 176.111 174.700 0.052 0.000 0.993 307 T CA -0.320 61.801 62.100 0.036 0.000 0.966 307 T CB 0.406 69.296 68.868 0.036 0.000 1.047 307 T HN 0.482 nan 8.240 nan 0.000 0.527 308 L N 1.369 122.641 121.223 0.082 0.000 1.993 308 L HA -0.030 4.340 4.340 0.051 0.000 0.206 308 L C 2.458 179.383 176.870 0.092 0.000 1.074 308 L CA 1.931 56.844 54.840 0.121 0.000 0.746 308 L CB -1.025 41.128 42.059 0.157 0.000 0.896 308 L HN 0.856 nan 8.230 nan 0.000 0.435 309 D N -0.707 119.700 120.400 0.012 0.000 2.204 309 D HA -0.332 4.338 4.640 0.051 0.000 0.189 309 D C 1.575 177.842 176.300 -0.055 0.000 1.006 309 D CA 2.145 56.090 54.000 -0.090 0.000 0.855 309 D CB -0.607 40.031 40.800 -0.271 0.000 0.946 309 D HN 0.484 nan 8.370 nan 0.000 0.448 310 E N 0.224 120.404 120.200 -0.033 0.000 2.026 310 E HA -0.244 4.136 4.350 0.051 0.000 0.206 310 E C 2.129 178.716 176.600 -0.021 0.000 1.028 310 E CA 1.607 57.989 56.400 -0.031 0.000 0.845 310 E CB -1.014 28.675 29.700 -0.018 0.000 0.772 310 E HN 0.473 nan 8.360 nan 0.000 0.462 311 Y N 1.678 121.925 120.300 -0.088 0.000 2.069 311 Y HA -0.299 4.279 4.550 0.047 0.000 0.278 311 Y C 2.053 177.925 175.900 -0.047 0.000 1.175 311 Y CA 2.089 60.132 58.100 -0.095 0.000 1.134 311 Y CB -0.200 38.199 38.460 -0.102 0.000 0.965 311 Y HN -0.073 nan 8.280 nan 0.000 0.498 312 R N -0.076 120.359 120.500 -0.108 0.000 2.226 312 R HA -0.187 4.183 4.340 0.051 0.000 0.246 312 R C 1.849 178.040 176.300 -0.182 0.000 1.161 312 R CA 1.419 57.433 56.100 -0.144 0.000 0.997 312 R CB -0.265 30.034 30.300 -0.002 0.000 0.870 312 R HN 0.480 nan 8.270 nan 0.000 0.465 313 E N 0.620 120.723 120.200 -0.162 0.000 2.102 313 E HA -0.011 4.369 4.350 0.051 0.000 0.190 313 E C 2.054 178.565 176.600 -0.149 0.000 0.971 313 E CA 0.574 56.898 56.400 -0.125 0.000 0.821 313 E CB -0.081 29.565 29.700 -0.091 0.000 0.777 313 E HN 0.337 nan 8.360 nan 0.000 0.460 314 I N 1.884 122.336 120.570 -0.197 0.000 2.657 314 I HA -0.208 3.992 4.170 0.051 0.000 0.261 314 I C 1.928 177.939 176.117 -0.175 0.000 1.212 314 I CA 0.872 62.074 61.300 -0.162 0.000 1.453 314 I CB -0.169 37.724 38.000 -0.179 0.000 1.092 314 I HN -0.021 nan 8.210 nan 0.000 0.452 315 E N 0.910 120.936 120.200 -0.290 0.000 2.347 315 E HA -0.131 4.250 4.350 0.051 0.000 0.196 315 E C 1.910 178.453 176.600 -0.095 0.000 1.008 315 E CA 0.597 56.867 56.400 -0.216 0.000 0.852 315 E CB 0.006 29.550 29.700 -0.260 0.000 0.783 315 E HN 0.417 nan 8.360 nan 0.000 0.505 316 K N 0.819 121.169 120.400 -0.082 0.000 2.288 316 K HA -0.077 4.273 4.320 0.051 0.000 0.201 316 K C 0.629 177.214 176.600 -0.024 0.000 1.048 316 K CA 0.429 56.689 56.287 -0.044 0.000 0.956 316 K CB -0.128 32.347 32.500 -0.042 0.000 0.746 316 K HN 0.007 nan 8.250 nan 0.000 0.461 317 D N 1.190 121.579 120.400 -0.017 0.000 2.479 317 D HA 0.133 4.803 4.640 0.051 0.000 0.218 317 D C -2.016 174.294 176.300 0.015 0.000 1.131 317 D CA -2.600 51.403 54.000 0.004 0.000 0.916 317 D CB 1.429 42.240 40.800 0.018 0.000 1.022 317 D HN -0.188 nan 8.370 nan 0.000 0.515 318 P HA -0.184 nan 4.420 nan 0.000 0.216 318 P C 1.018 178.323 177.300 0.008 0.000 1.157 318 P CA 1.663 64.769 63.100 0.009 0.000 0.880 318 P CB 0.169 31.872 31.700 0.004 0.000 0.791 319 A N -2.260 120.564 122.820 0.006 0.000 2.234 319 A HA -0.122 4.228 4.320 0.051 0.000 0.216 319 A C 1.933 179.513 177.584 -0.007 0.000 1.167 319 A CA 1.268 53.303 52.037 -0.003 0.000 0.698 319 A CB -1.094 17.907 19.000 0.002 0.000 0.779 319 A HN 0.185 nan 8.150 nan 0.000 0.475 320 L N -2.195 119.044 121.223 0.027 0.000 2.766 320 L HA 0.265 4.635 4.340 0.051 0.000 0.241 320 L C 1.787 178.732 176.870 0.125 0.000 1.080 320 L CA 1.158 56.046 54.840 0.080 0.000 0.909 320 L CB -0.019 42.156 42.059 0.193 0.000 1.277 320 L HN 0.459 nan 8.230 nan 0.000 0.510 321 E N -0.391 119.863 120.200 0.089 0.000 2.347 321 E HA -0.125 4.255 4.350 0.051 0.000 0.196 321 E C 0.753 177.394 176.600 0.068 0.000 1.008 321 E CA 0.440 56.896 56.400 0.094 0.000 0.852 321 E CB 0.288 30.010 29.700 0.036 0.000 0.783 321 E HN 0.194 nan 8.360 nan 0.000 0.505 322 R N 0.205 120.710 120.500 0.008 0.000 2.466 322 R HA 0.181 4.551 4.340 0.051 0.000 0.279 322 R C 0.682 176.931 176.300 -0.084 0.000 0.976 322 R CA 0.003 56.093 56.100 -0.018 0.000 1.081 322 R CB 0.394 30.682 30.300 -0.019 0.000 1.215 322 R HN 0.090 nan 8.270 nan 0.000 0.546 323 R N -0.839 119.551 120.500 -0.183 0.000 2.513 323 R HA 0.277 4.647 4.340 0.051 0.000 0.245 323 R C -0.090 175.893 176.300 -0.529 0.000 0.908 323 R CA 0.175 56.027 56.100 -0.414 0.000 1.023 323 R CB 0.419 30.325 30.300 -0.658 0.000 1.338 323 R HN -0.047 nan 8.270 nan 0.000 0.575 324 F N 0.720 120.722 119.950 0.086 0.000 2.556 324 F HA 0.561 5.107 4.527 0.030 0.000 0.327 324 F C 0.148 176.014 175.800 0.109 0.000 1.059 324 F CA -1.190 56.878 58.000 0.113 0.000 0.953 324 F CB 1.430 40.562 39.000 0.220 0.000 1.227 324 F HN -0.306 nan 8.300 nan 0.000 0.478 325 Q N 2.425 122.380 119.800 0.260 0.000 2.289 325 Q HA 0.510 4.881 4.340 0.051 0.000 0.270 325 Q C -3.014 172.923 176.000 -0.104 0.000 1.038 325 Q CA -2.371 53.490 55.803 0.097 0.000 0.812 325 Q CB 2.619 31.393 28.738 0.060 0.000 1.300 325 Q HN 0.126 nan 8.270 nan 0.000 0.427 326 P HA 0.222 nan 4.420 nan 0.000 0.275 326 P C -1.105 175.899 177.300 -0.493 0.000 1.228 326 P CA -0.288 62.434 63.100 -0.631 0.000 0.786 326 P CB 0.892 32.166 31.700 -0.711 0.000 0.927 327 V N 3.988 123.554 119.914 -0.580 0.000 2.538 327 V HA 0.162 4.312 4.120 0.051 0.000 0.265 327 V C -1.014 174.904 176.094 -0.293 0.000 0.977 327 V CA -0.585 61.534 62.300 -0.300 0.000 0.852 327 V CB -0.040 31.687 31.823 -0.159 0.000 1.058 327 V HN 0.396 nan 8.190 nan 0.000 0.462 328 Y N 2.472 122.739 120.300 -0.054 0.000 2.637 328 Y HA 0.257 4.840 4.550 0.056 0.000 0.350 328 Y C 0.641 176.530 175.900 -0.019 0.000 1.069 328 Y CA -0.462 57.618 58.100 -0.034 0.000 1.397 328 Y CB 0.216 38.668 38.460 -0.014 0.000 1.163 328 Y HN 0.335 nan 8.280 nan 0.000 0.527 329 V N 5.056 125.021 119.914 0.085 0.000 2.389 329 V HA 0.054 4.204 4.120 0.051 0.000 0.264 329 V C 0.199 176.337 176.094 0.072 0.000 1.049 329 V CA -0.702 61.632 62.300 0.058 0.000 0.932 329 V CB 0.044 31.883 31.823 0.025 0.000 1.011 329 V HN 0.657 nan 8.190 nan 0.000 0.475 330 D N 3.551 123.990 120.400 0.065 0.000 2.283 330 D HA 0.157 4.828 4.640 0.051 0.000 0.248 330 D C 0.274 176.597 176.300 0.038 0.000 1.072 330 D CA -0.262 53.770 54.000 0.053 0.000 0.929 330 D CB 1.510 42.334 40.800 0.041 0.000 1.182 330 D HN 0.629 nan 8.370 nan 0.000 0.433 331 E N 1.501 121.724 120.200 0.038 0.000 2.414 331 E HA 0.089 4.470 4.350 0.051 0.000 0.263 331 E C -2.194 174.412 176.600 0.010 0.000 1.000 331 E CA -1.261 55.158 56.400 0.032 0.000 0.914 331 E CB 0.556 30.284 29.700 0.045 0.000 0.948 331 E HN 0.026 nan 8.360 nan 0.000 0.444 332 P HA -0.010 nan 4.420 nan 0.000 0.270 332 P C -0.636 176.627 177.300 -0.063 0.000 1.223 332 P CA -0.114 62.972 63.100 -0.023 0.000 0.785 332 P CB 0.671 32.360 31.700 -0.019 0.000 0.923 333 T N -2.206 112.301 114.554 -0.079 0.000 2.847 333 T HA 0.152 4.532 4.350 0.051 0.000 0.279 333 T C 1.289 175.891 174.700 -0.163 0.000 0.984 333 T CA -0.607 61.408 62.100 -0.142 0.000 0.988 333 T CB 0.113 68.924 68.868 -0.095 0.000 1.040 333 T HN 0.005 nan 8.240 nan 0.000 0.528 334 V N 0.948 120.720 119.914 -0.237 0.000 2.332 334 V HA -0.124 4.027 4.120 0.051 0.000 0.248 334 V C 3.008 179.052 176.094 -0.084 0.000 1.055 334 V CA 1.954 64.155 62.300 -0.165 0.000 1.038 334 V CB -0.958 30.779 31.823 -0.142 0.000 0.651 334 V HN 0.886 nan 8.190 nan 0.000 0.450 335 E N 0.334 120.493 120.200 -0.068 0.000 2.038 335 E HA -0.231 4.149 4.350 0.051 0.000 0.195 335 E C 2.277 178.853 176.600 -0.039 0.000 1.000 335 E CA 1.749 58.124 56.400 -0.042 0.000 0.803 335 E CB -0.213 29.468 29.700 -0.031 0.000 0.750 335 E HN 0.739 nan 8.360 nan 0.000 0.448 336 E N -0.326 119.848 120.200 -0.043 0.000 2.058 336 E HA -0.160 4.221 4.350 0.051 0.000 0.194 336 E C 2.145 178.724 176.600 -0.035 0.000 0.997 336 E CA 1.665 58.045 56.400 -0.034 0.000 0.801 336 E CB -0.282 29.399 29.700 -0.032 0.000 0.746 336 E HN 0.195 nan 8.360 nan 0.000 0.450 337 T N 1.752 116.279 114.554 -0.045 0.000 2.699 337 T HA -0.170 4.210 4.350 0.051 0.000 0.268 337 T C 1.987 176.661 174.700 -0.043 0.000 1.036 337 T CA 1.076 63.150 62.100 -0.042 0.000 1.147 337 T CB -0.250 68.590 68.868 -0.048 0.000 0.862 337 T HN 0.136 nan 8.240 nan 0.000 0.446 338 I N 0.996 121.540 120.570 -0.043 0.000 2.208 338 I HA -0.194 4.006 4.170 0.051 0.000 0.245 338 I C 2.700 178.794 176.117 -0.037 0.000 1.097 338 I CA 1.027 62.303 61.300 -0.040 0.000 1.363 338 I CB -0.408 37.572 38.000 -0.033 0.000 1.051 338 I HN 0.210 nan 8.210 nan 0.000 0.413 339 S N 1.016 116.698 115.700 -0.030 0.000 2.348 339 S HA -0.130 4.371 4.470 0.051 0.000 0.221 339 S C 1.998 176.584 174.600 -0.025 0.000 1.033 339 S CA 1.295 59.481 58.200 -0.024 0.000 1.010 339 S CB -0.336 62.853 63.200 -0.018 0.000 0.891 339 S HN 0.322 nan 8.310 nan 0.000 0.442 340 I N 1.623 122.178 120.570 -0.026 0.000 2.118 340 I HA -0.245 3.956 4.170 0.051 0.000 0.241 340 I C 2.183 178.275 176.117 -0.042 0.000 1.070 340 I CA 1.290 62.576 61.300 -0.024 0.000 1.327 340 I CB -0.604 37.383 38.000 -0.021 0.000 1.034 340 I HN 0.231 nan 8.210 nan 0.000 0.405 341 L N 0.200 121.384 121.223 -0.066 0.000 2.012 341 L HA -0.227 4.144 4.340 0.051 0.000 0.210 341 L C 2.805 179.622 176.870 -0.088 0.000 1.073 341 L CA 1.536 56.311 54.840 -0.110 0.000 0.748 341 L CB -0.619 41.371 42.059 -0.115 0.000 0.891 341 L HN 0.179 nan 8.230 nan 0.000 0.431 342 R N -0.202 120.264 120.500 -0.057 0.000 2.127 342 R HA -0.134 4.236 4.340 0.051 0.000 0.238 342 R C 2.318 178.604 176.300 -0.024 0.000 1.134 342 R CA 1.112 57.188 56.100 -0.040 0.000 0.975 342 R CB -0.650 29.632 30.300 -0.029 0.000 0.865 342 R HN 0.486 nan 8.270 nan 0.000 0.447 343 G N 1.094 109.884 108.800 -0.016 0.000 2.484 343 G HA2 -0.222 3.769 3.960 0.051 0.000 0.215 343 G HA3 -0.222 3.769 3.960 0.051 0.000 0.215 343 G C 1.076 175.990 174.900 0.024 0.000 1.219 343 G CA 0.488 45.592 45.100 0.007 0.000 0.791 343 G HN 0.102 nan 8.290 nan 0.000 0.550 344 L N 1.166 122.403 121.223 0.024 0.000 2.549 344 L HA 0.150 4.520 4.340 0.051 0.000 0.229 344 L C 2.375 179.288 176.870 0.071 0.000 1.158 344 L CA 0.911 55.804 54.840 0.089 0.000 0.842 344 L CB -0.537 41.586 42.059 0.108 0.000 0.952 344 L HN 0.259 nan 8.230 nan 0.000 0.452 345 K N 0.574 120.969 120.400 -0.009 0.000 2.071 345 K HA -0.347 4.004 4.320 0.051 0.000 0.217 345 K C 2.076 178.684 176.600 0.013 0.000 1.054 345 K CA 2.181 58.454 56.287 -0.023 0.000 0.937 345 K CB 0.002 32.482 32.500 -0.032 0.000 0.719 345 K HN 0.295 nan 8.250 nan 0.000 0.454 346 E N 0.861 121.069 120.200 0.013 0.000 2.007 346 E HA -0.219 4.162 4.350 0.051 0.000 0.203 346 E C 1.780 178.348 176.600 -0.054 0.000 1.020 346 E CA 1.848 58.243 56.400 -0.009 0.000 0.845 346 E CB -0.107 29.597 29.700 0.007 0.000 0.779 346 E HN 0.141 nan 8.360 nan 0.000 0.466 347 K N -0.209 120.177 120.400 -0.024 0.000 2.030 347 K HA -0.248 4.102 4.320 0.051 0.000 0.222 347 K C 2.341 178.543 176.600 -0.662 0.000 1.056 347 K CA 2.119 58.263 56.287 -0.239 0.000 0.957 347 K CB -1.331 31.311 32.500 0.237 0.000 0.727 347 K HN 0.293 nan 8.250 nan 0.000 0.452 348 Y N 1.580 121.743 120.300 -0.228 0.000 2.014 348 Y HA -0.244 4.336 4.550 0.050 0.000 0.272 348 Y C 2.561 178.438 175.900 -0.039 0.000 1.164 348 Y CA 2.199 60.263 58.100 -0.062 0.000 1.114 348 Y CB -0.847 37.556 38.460 -0.095 0.000 0.961 348 Y HN 0.432 nan 8.280 nan 0.000 0.489 349 E N -0.590 119.649 120.200 0.066 0.000 2.455 349 E HA -0.120 4.260 4.350 0.051 0.000 0.202 349 E C 1.695 178.285 176.600 -0.016 0.000 1.045 349 E CA 1.352 57.769 56.400 0.028 0.000 0.872 349 E CB -0.495 29.202 29.700 -0.005 0.000 0.792 349 E HN 0.334 nan 8.360 nan 0.000 0.542 350 V N 1.166 121.000 119.914 -0.134 0.000 2.492 350 V HA -0.100 4.051 4.120 0.051 0.000 0.241 350 V C 1.739 177.860 176.094 0.045 0.000 1.041 350 V CA 1.144 63.353 62.300 -0.152 0.000 1.057 350 V CB -0.311 31.376 31.823 -0.226 0.000 0.711 350 V HN 0.409 nan 8.190 nan 0.000 0.468 351 H N -0.641 118.516 119.070 0.145 0.000 2.555 351 H HA 0.066 4.653 4.556 0.051 0.000 0.269 351 H C 1.419 176.663 175.328 -0.140 0.000 0.988 351 H CA 0.935 56.995 56.048 0.020 0.000 1.178 351 H CB -0.103 29.601 29.762 -0.098 0.000 1.373 351 H HN 0.600 nan 8.280 nan 0.000 0.588 352 H N -1.313 117.811 119.070 0.090 0.000 3.170 352 H HA 0.305 4.891 4.556 0.050 0.000 0.264 352 H C 1.218 176.585 175.328 0.064 0.000 1.113 352 H CA 0.144 56.239 56.048 0.078 0.000 1.194 352 H CB 0.806 30.614 29.762 0.077 0.000 1.553 352 H HN 0.375 nan 8.280 nan 0.000 0.538 353 G N 1.615 110.504 108.800 0.148 0.000 2.359 353 G HA2 -0.127 3.863 3.960 0.051 0.000 0.298 353 G HA3 -0.127 3.863 3.960 0.051 0.000 0.298 353 G C 0.191 175.131 174.900 0.067 0.000 1.030 353 G CA 0.695 45.841 45.100 0.076 0.000 1.149 353 G HN 0.589 nan 8.290 nan 0.000 0.512 354 V N -3.865 116.085 119.914 0.059 0.000 3.069 354 V HA 0.973 5.123 4.120 0.051 0.000 0.312 354 V C -0.425 175.675 176.094 0.011 0.000 1.369 354 V CA -1.771 60.554 62.300 0.041 0.000 1.047 354 V CB 2.064 33.922 31.823 0.059 0.000 1.098 354 V HN 0.356 nan 8.190 nan 0.000 0.473 355 R N 0.960 121.461 120.500 0.003 0.000 2.468 355 R HA 0.593 4.964 4.340 0.051 0.000 0.302 355 R C -1.368 174.922 176.300 -0.017 0.000 1.041 355 R CA -0.314 55.779 56.100 -0.012 0.000 0.899 355 R CB 1.400 31.691 30.300 -0.014 0.000 1.167 355 R HN 0.811 nan 8.270 nan 0.000 0.483 356 I N 2.743 123.298 120.570 -0.025 0.000 2.281 356 I HA 0.063 4.264 4.170 0.051 0.000 0.293 356 I C 1.021 177.116 176.117 -0.038 0.000 1.085 356 I CA -0.296 60.982 61.300 -0.037 0.000 1.257 356 I CB 0.888 38.857 38.000 -0.051 0.000 1.430 356 I HN 0.490 nan 8.210 nan 0.000 0.489 357 S N 3.444 119.123 115.700 -0.035 0.000 2.568 357 S HA -0.041 4.460 4.470 0.051 0.000 0.282 357 S C 1.080 175.658 174.600 -0.037 0.000 1.338 357 S CA -0.518 57.662 58.200 -0.033 0.000 1.045 357 S CB 1.253 64.436 63.200 -0.029 0.000 0.873 357 S HN 0.717 nan 8.310 nan 0.000 0.516 358 D N 1.882 122.262 120.400 -0.033 0.000 2.182 358 D HA -0.160 4.510 4.640 0.051 0.000 0.201 358 D C 1.823 178.103 176.300 -0.033 0.000 0.986 358 D CA 1.457 55.437 54.000 -0.034 0.000 0.847 358 D CB -0.104 40.679 40.800 -0.028 0.000 0.942 358 D HN 0.627 nan 8.370 nan 0.000 0.467 359 S N -0.303 115.379 115.700 -0.029 0.000 2.353 359 S HA -0.186 4.314 4.470 0.051 0.000 0.222 359 S C 2.125 176.705 174.600 -0.033 0.000 1.035 359 S CA 1.750 59.934 58.200 -0.027 0.000 1.025 359 S CB -0.291 62.894 63.200 -0.025 0.000 0.902 359 S HN 0.407 nan 8.310 nan 0.000 0.440 360 A N 1.160 123.957 122.820 -0.039 0.000 1.933 360 A HA -0.018 4.333 4.320 0.051 0.000 0.218 360 A C 2.103 179.654 177.584 -0.054 0.000 1.175 360 A CA 1.458 53.467 52.037 -0.048 0.000 0.628 360 A CB -0.745 18.224 19.000 -0.052 0.000 0.814 360 A HN 0.623 nan 8.150 nan 0.000 0.444 361 I N -0.206 120.331 120.570 -0.055 0.000 2.099 361 I HA -0.298 3.902 4.170 0.051 0.000 0.239 361 I C 2.330 178.418 176.117 -0.048 0.000 1.066 361 I CA 1.659 62.921 61.300 -0.063 0.000 1.324 361 I CB -0.410 37.553 38.000 -0.062 0.000 1.037 361 I HN 0.315 nan 8.210 nan 0.000 0.401 362 I N 0.820 121.368 120.570 -0.036 0.000 2.248 362 I HA -0.345 3.856 4.170 0.051 0.000 0.248 362 I C 2.790 178.897 176.117 -0.017 0.000 1.107 362 I CA 1.460 62.745 61.300 -0.024 0.000 1.373 362 I CB -0.585 37.405 38.000 -0.017 0.000 1.055 362 I HN 0.249 nan 8.210 nan 0.000 0.418 363 A N 0.827 123.634 122.820 -0.022 0.000 1.877 363 A HA -0.152 4.199 4.320 0.051 0.000 0.216 363 A C 2.597 180.169 177.584 -0.020 0.000 1.186 363 A CA 1.831 53.857 52.037 -0.017 0.000 0.620 363 A CB -0.870 18.112 19.000 -0.031 0.000 0.822 363 A HN 0.431 nan 8.150 nan 0.000 0.443 364 A N -0.247 122.549 122.820 -0.040 0.000 1.940 364 A HA 0.092 4.443 4.320 0.051 0.000 0.219 364 A C 2.466 180.039 177.584 -0.018 0.000 1.176 364 A CA 2.362 54.372 52.037 -0.045 0.000 0.631 364 A CB -0.907 18.052 19.000 -0.068 0.000 0.814 364 A HN 1.039 nan 8.150 nan 0.000 0.446 365 A N -1.420 121.391 122.820 -0.015 0.000 1.874 365 A HA 0.043 4.394 4.320 0.051 0.000 0.214 365 A C 2.317 179.921 177.584 0.034 0.000 1.189 365 A CA 2.034 54.071 52.037 -0.001 0.000 0.615 365 A CB -1.117 17.869 19.000 -0.022 0.000 0.830 365 A HN 0.415 nan 8.150 nan 0.000 0.443 366 T N 0.952 115.523 114.554 0.029 0.000 2.588 366 T HA -0.102 4.278 4.350 0.051 0.000 0.261 366 T C 1.880 176.606 174.700 0.042 0.000 1.069 366 T CA 1.534 63.662 62.100 0.047 0.000 1.172 366 T CB -0.599 68.292 68.868 0.038 0.000 0.863 366 T HN 0.321 nan 8.240 nan 0.000 0.408 367 L N 1.650 122.916 121.223 0.071 0.000 2.051 367 L HA -0.199 4.172 4.340 0.051 0.000 0.214 367 L C 2.968 179.913 176.870 0.124 0.000 1.076 367 L CA 1.784 56.722 54.840 0.162 0.000 0.758 367 L CB -1.032 41.092 42.059 0.108 0.000 0.890 367 L HN 0.436 nan 8.230 nan 0.000 0.433 368 S N -1.271 114.470 115.700 0.068 0.000 2.368 368 S HA -0.271 4.230 4.470 0.051 0.000 0.224 368 S C 1.925 176.559 174.600 0.056 0.000 1.029 368 S CA 1.238 59.482 58.200 0.075 0.000 0.988 368 S CB -0.690 62.554 63.200 0.073 0.000 0.838 368 S HN 0.565 nan 8.310 nan 0.000 0.462 369 H N 1.319 120.363 119.070 -0.044 0.000 2.491 369 H HA 0.220 4.806 4.556 0.050 0.000 0.290 369 H C 2.160 177.393 175.328 -0.158 0.000 1.050 369 H CA 1.529 57.554 56.048 -0.038 0.000 1.309 369 H CB -0.084 29.678 29.762 0.000 0.000 1.392 369 H HN 0.409 nan 8.280 nan 0.000 0.554 370 R N -1.500 118.674 120.500 -0.543 0.000 2.279 370 R HA 0.070 4.440 4.340 0.051 0.000 0.195 370 R C 0.230 175.791 176.300 -1.232 0.000 0.905 370 R CA 0.446 55.786 56.100 -1.267 0.000 1.044 370 R CB 0.537 29.942 30.300 -1.492 0.000 1.056 370 R HN 0.371 nan 8.270 nan 0.000 0.535 371 Y N -1.106 119.088 120.300 -0.177 0.000 2.610 371 Y HA 0.369 4.950 4.550 0.051 0.000 0.254 371 Y C -0.093 175.804 175.900 -0.004 0.000 1.110 371 Y CA -0.612 57.436 58.100 -0.086 0.000 1.238 371 Y CB 1.307 39.731 38.460 -0.059 0.000 1.322 371 Y HN -0.157 nan 8.280 nan 0.000 0.547 372 I N 2.384 123.014 120.570 0.100 0.000 2.412 372 I HA 0.108 4.308 4.170 0.051 0.000 0.279 372 I C 1.040 177.205 176.117 0.079 0.000 1.063 372 I CA 0.074 61.461 61.300 0.146 0.000 1.193 372 I CB 0.925 39.042 38.000 0.195 0.000 1.370 372 I HN 0.247 nan 8.210 nan 0.000 0.479 373 T N 1.005 115.594 114.554 0.059 0.000 2.962 373 T HA -0.154 4.226 4.350 0.051 0.000 0.270 373 T C 1.320 176.034 174.700 0.024 0.000 1.088 373 T CA 0.872 62.984 62.100 0.020 0.000 1.127 373 T CB 0.332 69.204 68.868 0.006 0.000 0.883 373 T HN 0.464 nan 8.240 nan 0.000 0.493 374 E N 2.269 122.493 120.200 0.040 0.000 2.029 374 E HA 0.080 4.460 4.350 0.051 0.000 0.217 374 E C 1.001 177.625 176.600 0.041 0.000 0.903 374 E CA 0.675 57.092 56.400 0.028 0.000 1.062 374 E CB -0.223 29.484 29.700 0.011 0.000 0.908 374 E HN 0.468 nan 8.360 nan 0.000 0.569 375 R N -0.285 120.250 120.500 0.058 0.000 2.893 375 R HA 0.224 4.595 4.340 0.051 0.000 0.279 375 R C 0.107 176.451 176.300 0.073 0.000 1.076 375 R CA 0.339 56.478 56.100 0.065 0.000 1.203 375 R CB 0.269 30.618 30.300 0.081 0.000 1.137 375 R HN 0.246 nan 8.270 nan 0.000 0.541 376 R N 1.189 121.732 120.500 0.072 0.000 2.514 376 R HA 0.179 4.549 4.340 0.051 0.000 0.301 376 R C 1.063 177.410 176.300 0.079 0.000 0.962 376 R CA -0.594 55.553 56.100 0.078 0.000 0.882 376 R CB 1.168 31.508 30.300 0.067 0.000 1.143 376 R HN 0.534 nan 8.270 nan 0.000 0.452 377 L N 2.841 124.119 121.223 0.092 0.000 2.434 377 L HA -0.391 3.979 4.340 0.051 0.000 0.244 377 L C -0.807 176.090 176.870 0.044 0.000 1.169 377 L CA 2.360 57.242 54.840 0.071 0.000 0.804 377 L CB -1.512 40.576 42.059 0.048 0.000 1.020 377 L HN 0.559 nan 8.230 nan 0.000 0.414 378 P HA -0.224 nan 4.420 nan 0.000 0.221 378 P C 0.982 178.302 177.300 0.033 0.000 1.160 378 P CA 2.284 65.398 63.100 0.024 0.000 0.933 378 P CB -0.054 31.664 31.700 0.030 0.000 0.793 379 D N -0.662 119.769 120.400 0.053 0.000 2.096 379 D HA -0.180 4.490 4.640 0.051 0.000 0.200 379 D C 1.977 178.322 176.300 0.075 0.000 0.980 379 D CA 1.765 55.806 54.000 0.068 0.000 0.860 379 D CB -0.675 40.171 40.800 0.077 0.000 1.005 379 D HN 0.171 nan 8.370 nan 0.000 0.449 380 K N 0.494 120.949 120.400 0.092 0.000 2.127 380 K HA -0.246 4.104 4.320 0.051 0.000 0.212 380 K C 2.096 178.746 176.600 0.083 0.000 1.050 380 K CA 2.022 58.380 56.287 0.119 0.000 0.929 380 K CB -0.606 31.977 32.500 0.139 0.000 0.715 380 K HN 0.125 nan 8.250 nan 0.000 0.457 381 A N 1.783 124.631 122.820 0.046 0.000 1.883 381 A HA -0.114 4.236 4.320 0.051 0.000 0.217 381 A C 2.266 179.831 177.584 -0.032 0.000 1.186 381 A CA 1.780 53.819 52.037 0.003 0.000 0.624 381 A CB -0.627 18.367 19.000 -0.011 0.000 0.822 381 A HN 0.370 nan 8.150 nan 0.000 0.444 382 I N 0.010 120.558 120.570 -0.037 0.000 2.142 382 I HA -0.260 3.941 4.170 0.051 0.000 0.240 382 I C 1.941 178.051 176.117 -0.011 0.000 1.078 382 I CA 1.623 62.868 61.300 -0.093 0.000 1.343 382 I CB -0.710 37.252 38.000 -0.064 0.000 1.046 382 I HN 0.297 nan 8.210 nan 0.000 0.405 383 D N 0.873 121.317 120.400 0.073 0.000 2.172 383 D HA -0.212 4.458 4.640 0.051 0.000 0.196 383 D C 2.091 178.451 176.300 0.100 0.000 0.999 383 D CA 1.354 55.434 54.000 0.133 0.000 0.856 383 D CB -0.287 40.621 40.800 0.179 0.000 0.934 383 D HN 0.190 nan 8.370 nan 0.000 0.453 384 L N 0.937 122.181 121.223 0.036 0.000 1.994 384 L HA -0.122 4.248 4.340 0.051 0.000 0.208 384 L C 2.417 179.250 176.870 -0.063 0.000 1.071 384 L CA 1.245 56.050 54.840 -0.058 0.000 0.745 384 L CB -0.534 41.465 42.059 -0.099 0.000 0.892 384 L HN 0.009 nan 8.230 nan 0.000 0.431 385 I N -0.719 119.807 120.570 -0.072 0.000 2.127 385 I HA -0.328 3.872 4.170 0.051 0.000 0.241 385 I C 2.206 178.291 176.117 -0.054 0.000 1.075 385 I CA 1.803 63.047 61.300 -0.094 0.000 1.334 385 I CB -0.468 37.429 38.000 -0.171 0.000 1.040 385 I HN 0.335 nan 8.210 nan 0.000 0.405 386 D N 0.795 121.200 120.400 0.009 0.000 2.149 386 D HA -0.283 4.388 4.640 0.051 0.000 0.198 386 D C 2.122 178.471 176.300 0.082 0.000 0.990 386 D CA 1.391 55.441 54.000 0.085 0.000 0.839 386 D CB -0.027 40.933 40.800 0.267 0.000 0.948 386 D HN 0.331 nan 8.370 nan 0.000 0.460 387 E N -0.979 119.271 120.200 0.083 0.000 2.274 387 E HA -0.094 4.286 4.350 0.051 0.000 0.194 387 E C 1.719 178.348 176.600 0.047 0.000 0.996 387 E CA 0.753 57.209 56.400 0.093 0.000 0.840 387 E CB -0.018 29.751 29.700 0.115 0.000 0.772 387 E HN 0.337 nan 8.360 nan 0.000 0.491 388 A N 0.884 123.705 122.820 0.002 0.000 1.903 388 A HA 0.214 4.565 4.320 0.051 0.000 0.213 388 A C 2.190 179.780 177.584 0.010 0.000 1.185 388 A CA 0.865 52.894 52.037 -0.014 0.000 0.628 388 A CB -0.219 18.751 19.000 -0.050 0.000 0.830 388 A HN 0.295 nan 8.150 nan 0.000 0.446 389 A N -0.752 122.067 122.820 -0.003 0.000 2.252 389 A HA 0.523 4.873 4.320 0.051 0.000 0.207 389 A C 1.757 179.409 177.584 0.112 0.000 1.194 389 A CA 1.215 53.258 52.037 0.011 0.000 0.809 389 A CB -0.588 18.345 19.000 -0.112 0.000 0.814 389 A HN 0.748 nan 8.150 nan 0.000 0.482 390 A N 0.107 122.997 122.820 0.118 0.000 1.997 390 A HA 0.259 4.609 4.320 0.051 0.000 0.214 390 A C 1.949 179.605 177.584 0.119 0.000 1.458 390 A CA 0.849 52.982 52.037 0.159 0.000 0.692 390 A CB -0.411 18.683 19.000 0.156 0.000 1.145 390 A HN 0.362 nan 8.150 nan 0.000 0.515 391 R N -0.033 120.523 120.500 0.093 0.000 2.185 391 R HA -0.146 4.224 4.340 0.051 0.000 0.247 391 R C 1.607 177.957 176.300 0.083 0.000 1.159 391 R CA 1.917 58.066 56.100 0.081 0.000 0.988 391 R CB -0.962 29.374 30.300 0.059 0.000 0.871 391 R HN 0.440 nan 8.270 nan 0.000 0.458 392 L N 0.040 121.310 121.223 0.079 0.000 2.131 392 L HA 0.130 4.500 4.340 0.051 0.000 0.206 392 L C 2.328 179.265 176.870 0.111 0.000 1.087 392 L CA 1.715 56.603 54.840 0.080 0.000 0.767 392 L CB -0.480 41.613 42.059 0.058 0.000 0.917 392 L HN 0.213 nan 8.230 nan 0.000 0.441 393 R N -1.076 119.497 120.500 0.122 0.000 2.153 393 R HA -0.084 4.287 4.340 0.051 0.000 0.218 393 R C 2.190 178.569 176.300 0.131 0.000 1.072 393 R CA 1.132 57.312 56.100 0.133 0.000 0.990 393 R CB -0.159 30.232 30.300 0.152 0.000 0.889 393 R HN 0.439 nan 8.270 nan 0.000 0.452 394 M N 0.224 119.898 119.600 0.123 0.000 2.074 394 M HA -0.024 4.486 4.480 0.051 0.000 0.259 394 M C 1.052 177.431 176.300 0.132 0.000 1.079 394 M CA 1.978 57.346 55.300 0.113 0.000 1.119 394 M CB -0.141 32.519 32.600 0.100 0.000 1.297 394 M HN 0.148 nan 8.290 nan 0.000 0.416 395 A N 0.744 123.651 122.820 0.145 0.000 2.711 395 A HA 0.202 4.552 4.320 0.051 0.000 0.242 395 A C 0.856 178.613 177.584 0.289 0.000 1.607 395 A CA 0.177 52.331 52.037 0.195 0.000 1.370 395 A CB -0.775 18.340 19.000 0.191 0.000 0.934 395 A HN 0.632 nan 8.150 nan 0.000 0.628 396 L N -1.600 119.780 121.223 0.261 0.000 2.713 396 L HA 0.347 4.718 4.340 0.051 0.000 0.223 396 L C 1.754 178.870 176.870 0.410 0.000 1.040 396 L CA 1.383 56.422 54.840 0.333 0.000 0.894 396 L CB 0.193 42.386 42.059 0.222 0.000 1.361 396 L HN 0.359 nan 8.230 nan 0.000 0.490 397 E N 0.140 120.513 120.200 0.288 0.000 2.170 397 E HA 0.091 4.472 4.350 0.051 0.000 0.191 397 E C 0.462 177.233 176.600 0.284 0.000 0.981 397 E CA 0.390 56.978 56.400 0.313 0.000 0.830 397 E CB 0.026 29.829 29.700 0.172 0.000 0.775 397 E HN 0.368 nan 8.360 nan 0.000 0.470 398 S N 1.400 117.160 115.700 0.101 0.000 2.537 398 S HA 0.340 4.841 4.470 0.051 0.000 0.286 398 S C 0.106 174.447 174.600 -0.431 0.000 1.299 398 S CA 0.005 58.151 58.200 -0.091 0.000 1.067 398 S CB 0.700 63.856 63.200 -0.074 0.000 0.864 398 S HN 0.494 nan 8.310 nan 0.000 0.494 399 A N 5.552 128.080 122.820 -0.487 0.000 2.613 399 A HA 0.207 4.558 4.320 0.051 0.000 0.230 399 A C -2.093 174.852 177.584 -1.065 0.000 1.051 399 A CA -0.710 50.820 52.037 -0.845 0.000 0.754 399 A CB -0.757 17.947 19.000 -0.494 0.000 0.979 399 A HN 0.539 nan 8.150 nan 0.000 0.510 400 P HA 0.063 nan 4.420 nan 0.000 0.264 400 P C 0.504 177.450 177.300 -0.591 0.000 1.183 400 P CA 0.308 62.687 63.100 -1.203 0.000 0.763 400 P CB 0.534 31.837 31.700 -0.663 0.000 0.807 401 E N 2.339 122.361 120.200 -0.297 0.000 2.478 401 E HA -0.197 4.183 4.350 0.051 0.000 0.198 401 E C 1.404 178.009 176.600 0.007 0.000 1.046 401 E CA 1.137 57.529 56.400 -0.014 0.000 0.870 401 E CB -0.188 29.645 29.700 0.222 0.000 0.818 401 E HN 0.307 nan 8.360 nan 0.000 0.527 402 E N 0.059 120.268 120.200 0.015 0.000 2.099 402 E HA -0.028 4.353 4.350 0.051 0.000 0.191 402 E C 1.893 178.470 176.600 -0.038 0.000 0.962 402 E CA 0.321 56.731 56.400 0.016 0.000 0.826 402 E CB -0.056 29.682 29.700 0.063 0.000 0.788 402 E HN 0.259 nan 8.360 nan 0.000 0.461 403 I N 3.457 123.970 120.570 -0.094 0.000 2.113 403 I HA -0.331 3.869 4.170 0.051 0.000 0.242 403 I C 2.202 178.269 176.117 -0.083 0.000 1.064 403 I CA 2.111 63.350 61.300 -0.102 0.000 1.320 403 I CB -1.541 36.352 38.000 -0.178 0.000 1.028 403 I HN 0.327 nan 8.210 nan 0.000 0.406 404 D N 1.294 121.633 120.400 -0.101 0.000 2.265 404 D HA -0.166 4.505 4.640 0.051 0.000 0.208 404 D C 1.930 178.203 176.300 -0.045 0.000 0.977 404 D CA 1.347 55.303 54.000 -0.074 0.000 0.871 404 D CB -0.215 40.535 40.800 -0.082 0.000 0.925 404 D HN 0.334 nan 8.370 nan 0.000 0.485 405 A N 0.956 123.754 122.820 -0.036 0.000 1.940 405 A HA -0.079 4.271 4.320 0.051 0.000 0.219 405 A C 2.581 180.155 177.584 -0.016 0.000 1.176 405 A CA 1.195 53.221 52.037 -0.019 0.000 0.631 405 A CB -0.596 18.399 19.000 -0.009 0.000 0.814 405 A HN 0.324 nan 8.150 nan 0.000 0.446 406 L N -1.598 119.613 121.223 -0.019 0.000 2.221 406 L HA -0.006 4.365 4.340 0.051 0.000 0.202 406 L C 2.521 179.381 176.870 -0.017 0.000 1.074 406 L CA 0.529 55.361 54.840 -0.014 0.000 0.795 406 L CB -0.618 41.435 42.059 -0.010 0.000 0.960 406 L HN 0.278 nan 8.230 nan 0.000 0.458 407 E N 0.540 120.724 120.200 -0.026 0.000 2.097 407 E HA -0.229 4.151 4.350 0.051 0.000 0.196 407 E C 2.318 178.904 176.600 -0.022 0.000 1.000 407 E CA 1.201 57.584 56.400 -0.027 0.000 0.804 407 E CB -0.082 29.594 29.700 -0.041 0.000 0.740 407 E HN 0.242 nan 8.360 nan 0.000 0.454 408 R N 0.812 121.297 120.500 -0.024 0.000 2.093 408 R HA -0.023 4.347 4.340 0.051 0.000 0.224 408 R C 2.235 178.527 176.300 -0.013 0.000 1.101 408 R CA 0.804 56.892 56.100 -0.019 0.000 0.979 408 R CB -0.394 29.894 30.300 -0.020 0.000 0.877 408 R HN 0.142 nan 8.270 nan 0.000 0.441 409 K N 1.073 121.465 120.400 -0.012 0.000 2.057 409 K HA -0.176 4.174 4.320 0.051 0.000 0.207 409 K C 2.014 178.609 176.600 -0.007 0.000 1.049 409 K CA 1.585 57.867 56.287 -0.008 0.000 0.931 409 K CB 0.003 32.499 32.500 -0.006 0.000 0.714 409 K HN -0.032 nan 8.250 nan 0.000 0.440 410 K N 0.612 121.008 120.400 -0.008 0.000 1.973 410 K HA -0.182 4.169 4.320 0.051 0.000 0.212 410 K C 2.127 178.723 176.600 -0.006 0.000 1.047 410 K CA 1.450 57.733 56.287 -0.006 0.000 0.937 410 K CB -0.299 32.197 32.500 -0.007 0.000 0.721 410 K HN 0.134 nan 8.250 nan 0.000 0.440 411 L N 1.885 123.103 121.223 -0.008 0.000 2.189 411 L HA -0.204 4.166 4.340 0.051 0.000 0.214 411 L C 2.172 179.038 176.870 -0.006 0.000 1.097 411 L CA 1.651 56.486 54.840 -0.007 0.000 0.764 411 L CB -0.472 41.582 42.059 -0.010 0.000 0.900 411 L HN 0.334 nan 8.230 nan 0.000 0.436 412 Q N -0.874 118.923 119.800 -0.006 0.000 2.291 412 Q HA -0.101 4.269 4.340 0.051 0.000 0.206 412 Q C 2.030 178.027 176.000 -0.004 0.000 0.976 412 Q CA 1.410 57.210 55.803 -0.005 0.000 0.875 412 Q CB -0.032 28.703 28.738 -0.005 0.000 0.927 412 Q HN 0.575 nan 8.270 nan 0.000 0.450 413 L N -1.083 120.138 121.223 -0.003 0.000 2.500 413 L HA 0.113 4.483 4.340 0.051 0.000 0.219 413 L C 1.960 178.828 176.870 -0.002 0.000 1.057 413 L CA 0.093 54.932 54.840 -0.002 0.000 0.854 413 L CB -0.113 41.945 42.059 -0.002 0.000 1.078 413 L HN 0.060 nan 8.230 nan 0.000 0.480 414 E N 0.960 121.159 120.200 -0.003 0.000 2.515 414 E HA -0.150 4.230 4.350 0.051 0.000 0.201 414 E C 1.711 178.310 176.600 -0.003 0.000 1.071 414 E CA 0.542 56.940 56.400 -0.003 0.000 0.880 414 E CB 0.278 29.976 29.700 -0.003 0.000 0.828 414 E HN 0.542 nan 8.360 nan 0.000 0.540 415 I N -0.982 119.586 120.570 -0.003 0.000 4.456 415 I HA 0.034 4.234 4.170 0.051 0.000 0.329 415 I C 1.608 177.723 176.117 -0.002 0.000 1.313 415 I CA 0.099 61.397 61.300 -0.003 0.000 1.205 415 I CB 0.408 38.406 38.000 -0.003 0.000 1.179 415 I HN -0.046 nan 8.210 nan 0.000 0.419 416 E N 1.463 121.662 120.200 -0.002 0.000 2.122 416 E HA -0.171 4.209 4.350 0.051 0.000 0.190 416 E C 2.234 178.833 176.600 -0.001 0.000 0.977 416 E CA 1.062 57.461 56.400 -0.002 0.000 0.820 416 E CB -0.051 29.648 29.700 -0.001 0.000 0.770 416 E HN 0.326 nan 8.360 nan 0.000 0.462 417 R N 0.425 120.924 120.500 -0.001 0.000 2.062 417 R HA -0.151 4.219 4.340 0.051 0.000 0.231 417 R C 1.811 178.110 176.300 -0.001 0.000 1.136 417 R CA 1.590 57.690 56.100 -0.001 0.000 0.948 417 R CB -0.221 30.078 30.300 -0.001 0.000 0.845 417 R HN 0.094 nan 8.270 nan 0.000 0.430 418 E N 0.782 120.982 120.200 -0.001 0.000 2.072 418 E HA -0.288 4.092 4.350 0.051 0.000 0.218 418 E C 1.918 178.518 176.600 -0.001 0.000 1.051 418 E CA 1.954 58.353 56.400 -0.001 0.000 0.880 418 E CB -0.791 28.908 29.700 -0.001 0.000 0.783 418 E HN 0.531 nan 8.360 nan 0.000 0.473 419 A N 1.274 124.094 122.820 -0.001 0.000 1.877 419 A HA -0.117 4.233 4.320 0.051 0.000 0.216 419 A C 2.407 179.990 177.584 -0.001 0.000 1.186 419 A CA 1.537 53.573 52.037 -0.001 0.000 0.620 419 A CB -0.856 18.143 19.000 -0.001 0.000 0.822 419 A HN 0.277 nan 8.150 nan 0.000 0.443 420 L N -0.648 120.575 121.223 -0.001 0.000 2.083 420 L HA -0.178 4.192 4.340 0.051 0.000 0.209 420 L C 2.472 179.342 176.870 -0.000 0.000 1.083 420 L CA 2.247 57.087 54.840 -0.000 0.000 0.752 420 L CB -0.221 41.838 42.059 -0.000 0.000 0.899 420 L HN 0.486 nan 8.230 nan 0.000 0.433 421 K N -0.214 120.186 120.400 -0.000 0.000 2.217 421 K HA -0.218 4.133 4.320 0.051 0.000 0.202 421 K C 1.987 178.587 176.600 -0.000 0.000 1.051 421 K CA 0.788 57.075 56.287 -0.000 0.000 0.952 421 K CB 0.144 32.644 32.500 -0.000 0.000 0.736 421 K HN 0.063 nan 8.250 nan 0.000 0.453 422 K N 1.814 122.213 120.400 -0.000 0.000 1.992 422 K HA -0.136 4.215 4.320 0.051 0.000 0.227 422 K C -0.255 176.344 176.600 -0.000 0.000 1.016 422 K CA 1.649 57.936 56.287 -0.000 0.000 1.059 422 K CB -0.476 32.024 32.500 -0.000 0.000 0.752 422 K HN 0.088 nan 8.250 nan 0.000 0.449 423 E N 2.129 122.329 120.200 -0.000 0.000 2.562 423 E HA -0.071 4.309 4.350 0.051 0.000 0.241 423 E C -0.615 175.985 176.600 -0.000 0.000 1.136 423 E CA 0.131 56.531 56.400 -0.000 0.000 0.952 423 E CB 0.180 29.880 29.700 -0.000 0.000 0.975 423 E HN 0.129 nan 8.360 nan 0.000 0.494 424 K N 3.982 124.382 120.400 0.000 0.000 2.062 424 K HA 0.009 4.359 4.320 0.051 0.000 0.251 424 K C -0.446 176.154 176.600 0.000 0.000 1.113 424 K CA 0.381 56.668 56.287 0.000 0.000 1.096 424 K CB -0.386 32.114 32.500 0.000 0.000 1.099 424 K HN 0.385 nan 8.250 nan 0.000 0.350 425 D N 3.194 123.595 120.400 0.000 0.000 2.312 425 D HA 0.066 4.736 4.640 0.051 0.000 0.252 425 D C -1.336 174.964 176.300 0.000 0.000 1.150 425 D CA -1.634 52.366 54.000 0.000 0.000 0.870 425 D CB 1.344 42.144 40.800 -0.000 0.000 1.153 425 D HN 0.032 nan 8.370 nan 0.000 0.457 426 P HA -0.195 nan 4.420 nan 0.000 0.216 426 P C 0.145 177.445 177.300 0.000 0.000 1.151 426 P CA 1.381 64.481 63.100 0.000 0.000 0.953 426 P CB 0.094 31.794 31.700 0.000 0.000 0.789 427 D N -1.297 119.103 120.400 0.000 0.000 2.522 427 D HA 0.106 4.776 4.640 0.051 0.000 0.218 427 D C 0.296 176.596 176.300 0.000 0.000 1.149 427 D CA -0.064 53.936 54.000 0.000 0.000 0.981 427 D CB 0.572 41.372 40.800 0.000 0.000 1.041 427 D HN 0.035 nan 8.370 nan 0.000 0.518 428 S N 1.767 117.467 115.700 0.000 0.000 2.744 428 S HA -0.081 4.419 4.470 0.051 0.000 0.265 428 S C 1.327 175.927 174.600 0.000 0.000 1.065 428 S CA -0.153 58.048 58.200 0.000 0.000 1.191 428 S CB 0.100 63.300 63.200 0.000 0.000 1.150 428 S HN 0.387 nan 8.310 nan 0.000 0.646 429 Q N 1.310 121.110 119.800 0.000 0.000 2.119 429 Q HA -0.063 4.307 4.340 0.051 0.000 0.201 429 Q C 0.955 176.955 176.000 0.001 0.000 0.972 429 Q CA 1.539 57.342 55.803 0.000 0.000 0.847 429 Q CB -0.179 28.559 28.738 0.001 0.000 0.903 429 Q HN 0.630 nan 8.270 nan 0.000 0.433 430 E N -0.341 119.859 120.200 0.000 0.000 2.510 430 E HA -0.134 4.247 4.350 0.051 0.000 0.202 430 E C 1.338 177.939 176.600 0.000 0.000 1.072 430 E CA 0.352 56.752 56.400 0.001 0.000 0.883 430 E CB 0.238 29.938 29.700 0.000 0.000 0.818 430 E HN 0.324 nan 8.360 nan 0.000 0.548 431 R N -0.607 119.894 120.500 0.000 0.000 2.171 431 R HA 0.113 4.483 4.340 0.051 0.000 0.171 431 R C 2.055 178.355 176.300 0.000 0.000 1.662 431 R CA -0.321 55.779 56.100 0.000 0.000 1.323 431 R CB -0.769 29.531 30.300 0.000 0.000 1.180 431 R HN -0.030 nan 8.270 nan 0.000 0.474 432 L N 2.435 123.659 121.223 0.000 0.000 1.976 432 L HA -0.231 4.140 4.340 0.051 0.000 0.223 432 L C 2.008 178.878 176.870 0.001 0.000 1.081 432 L CA 2.053 56.893 54.840 0.000 0.000 0.784 432 L CB -0.386 41.673 42.059 0.000 0.000 0.896 432 L HN 0.131 nan 8.230 nan 0.000 0.438 433 K N -1.335 119.066 120.400 0.001 0.000 2.504 433 K HA 0.027 4.377 4.320 0.051 0.000 0.195 433 K C 1.595 178.195 176.600 0.001 0.000 1.036 433 K CA 0.745 57.032 56.287 0.001 0.000 0.984 433 K CB -0.038 32.463 32.500 0.001 0.000 0.788 433 K HN 0.539 nan 8.250 nan 0.000 0.488 434 A N 0.143 122.963 122.820 0.001 0.000 2.115 434 A HA 0.072 4.422 4.320 0.051 0.000 0.211 434 A C 1.655 179.240 177.584 0.001 0.000 1.169 434 A CA 0.208 52.246 52.037 0.001 0.000 0.787 434 A CB 0.061 19.062 19.000 0.001 0.000 0.858 434 A HN 0.330 nan 8.150 nan 0.000 0.474 435 I N 0.098 120.669 120.570 0.001 0.000 3.339 435 I HA 0.047 4.248 4.170 0.051 0.000 0.285 435 I C 1.827 177.944 176.117 0.001 0.000 1.201 435 I CA 1.234 62.534 61.300 0.001 0.000 1.434 435 I CB 0.019 38.020 38.000 0.000 0.000 1.152 435 I HN 0.350 nan 8.210 nan 0.000 0.443 436 E N 1.243 121.443 120.200 0.001 0.000 2.396 436 E HA -0.135 4.245 4.350 0.051 0.000 0.200 436 E C 1.797 178.398 176.600 0.001 0.000 1.023 436 E CA 1.423 57.823 56.400 0.001 0.000 0.857 436 E CB -0.886 28.814 29.700 0.001 0.000 0.775 436 E HN 0.456 nan 8.360 nan 0.000 0.525 437 A N 0.713 123.534 122.820 0.002 0.000 1.878 437 A HA -0.064 4.286 4.320 0.051 0.000 0.213 437 A C 2.224 179.809 177.584 0.002 0.000 1.192 437 A CA 1.154 53.192 52.037 0.002 0.000 0.619 437 A CB -0.549 18.452 19.000 0.002 0.000 0.837 437 A HN 0.255 nan 8.150 nan 0.000 0.446 438 E N 0.612 120.813 120.200 0.002 0.000 2.038 438 E HA -0.205 4.176 4.350 0.051 0.000 0.195 438 E C 1.769 178.370 176.600 0.002 0.000 1.000 438 E CA 1.718 58.119 56.400 0.002 0.000 0.803 438 E CB -0.499 29.202 29.700 0.001 0.000 0.750 438 E HN 0.554 nan 8.360 nan 0.000 0.448 439 I N -0.124 120.446 120.570 0.001 0.000 2.151 439 I HA -0.311 3.890 4.170 0.051 0.000 0.243 439 I C 2.108 178.226 176.117 0.002 0.000 1.080 439 I CA 1.821 63.121 61.300 0.001 0.000 1.339 439 I CB -0.324 37.676 38.000 0.000 0.000 1.039 439 I HN 0.258 nan 8.210 nan 0.000 0.409 440 A N 0.553 123.375 122.820 0.002 0.000 1.972 440 A HA -0.262 4.089 4.320 0.051 0.000 0.219 440 A C 2.387 179.973 177.584 0.004 0.000 1.169 440 A CA 1.907 53.946 52.037 0.003 0.000 0.635 440 A CB -0.587 18.415 19.000 0.003 0.000 0.810 440 A HN 0.576 nan 8.150 nan 0.000 0.446 441 K N -0.686 119.716 120.400 0.004 0.000 1.984 441 K HA -0.091 4.259 4.320 0.051 0.000 0.209 441 K C 1.821 178.424 176.600 0.005 0.000 1.046 441 K CA 1.424 57.714 56.287 0.005 0.000 0.934 441 K CB -0.360 32.142 32.500 0.004 0.000 0.717 441 K HN 0.262 nan 8.250 nan 0.000 0.438 442 L N 1.819 123.044 121.223 0.004 0.000 2.187 442 L HA -0.149 4.221 4.340 0.051 0.000 0.213 442 L C 1.942 178.815 176.870 0.004 0.000 1.100 442 L CA 1.795 56.637 54.840 0.003 0.000 0.765 442 L CB -0.667 41.392 42.059 0.001 0.000 0.904 442 L HN 0.293 nan 8.230 nan 0.000 0.437 443 T N -0.857 113.699 114.554 0.004 0.000 2.897 443 T HA -0.189 4.191 4.350 0.051 0.000 0.271 443 T C 1.617 176.323 174.700 0.009 0.000 1.084 443 T CA 1.505 63.608 62.100 0.006 0.000 1.123 443 T CB -0.185 68.686 68.868 0.005 0.000 0.865 443 T HN 0.528 nan 8.240 nan 0.000 0.496 444 E N 0.707 120.913 120.200 0.010 0.000 2.047 444 E HA -0.119 4.262 4.350 0.051 0.000 0.191 444 E C 2.460 179.070 176.600 0.016 0.000 0.987 444 E CA 0.832 57.240 56.400 0.013 0.000 0.799 444 E CB -0.016 29.691 29.700 0.012 0.000 0.752 444 E HN 0.437 nan 8.360 nan 0.000 0.449 445 E N 0.866 121.075 120.200 0.014 0.000 2.047 445 E HA -0.123 4.257 4.350 0.051 0.000 0.191 445 E C 2.006 178.617 176.600 0.018 0.000 0.987 445 E CA 0.814 57.224 56.400 0.017 0.000 0.799 445 E CB -0.201 29.506 29.700 0.013 0.000 0.752 445 E HN 0.359 nan 8.360 nan 0.000 0.449 446 I N 0.626 121.202 120.570 0.011 0.000 3.555 446 I HA -0.062 4.138 4.170 0.051 0.000 0.304 446 I C 1.474 177.602 176.117 0.018 0.000 1.246 446 I CA 0.348 61.653 61.300 0.008 0.000 1.220 446 I CB -0.208 37.790 38.000 -0.002 0.000 1.001 446 I HN -0.038 nan 8.210 nan 0.000 0.513 447 A N -0.002 122.833 122.820 0.024 0.000 2.377 447 A HA 0.092 4.443 4.320 0.051 0.000 0.209 447 A C 2.057 179.663 177.584 0.037 0.000 1.359 447 A CA -0.222 51.832 52.037 0.030 0.000 1.026 447 A CB 0.246 19.259 19.000 0.022 0.000 1.224 447 A HN 0.223 nan 8.150 nan 0.000 0.528 448 K N 0.206 120.627 120.400 0.036 0.000 2.108 448 K HA 0.227 4.577 4.320 0.051 0.000 0.204 448 K C 1.522 178.156 176.600 0.058 0.000 1.036 448 K CA 0.650 56.961 56.287 0.041 0.000 0.965 448 K CB -0.204 32.315 32.500 0.033 0.000 0.804 448 K HN 0.328 nan 8.250 nan 0.000 0.454 449 L N 0.897 122.154 121.223 0.058 0.000 2.141 449 L HA -0.057 4.314 4.340 0.051 0.000 0.209 449 L C 2.634 179.569 176.870 0.109 0.000 1.094 449 L CA 0.908 55.795 54.840 0.079 0.000 0.763 449 L CB -0.334 41.759 42.059 0.057 0.000 0.908 449 L HN 0.166 nan 8.230 nan 0.000 0.437 450 R N 0.681 121.232 120.500 0.084 0.000 2.189 450 R HA -0.024 4.346 4.340 0.051 0.000 0.218 450 R C 2.095 178.481 176.300 0.143 0.000 1.074 450 R CA 1.206 57.371 56.100 0.108 0.000 0.991 450 R CB -0.242 30.093 30.300 0.060 0.000 0.883 450 R HN 0.304 nan 8.270 nan 0.000 0.457 451 A N 0.291 123.173 122.820 0.103 0.000 1.898 451 A HA -0.047 4.303 4.320 0.051 0.000 0.214 451 A C 1.815 179.451 177.584 0.088 0.000 1.183 451 A CA 1.143 53.229 52.037 0.081 0.000 0.622 451 A CB -0.326 18.707 19.000 0.054 0.000 0.824 451 A HN 0.448 nan 8.150 nan 0.000 0.444 452 E N -0.808 119.455 120.200 0.105 0.000 2.005 452 E HA -0.240 4.140 4.350 0.051 0.000 0.198 452 E C 1.879 178.552 176.600 0.121 0.000 1.010 452 E CA 1.305 57.766 56.400 0.102 0.000 0.825 452 E CB -0.476 29.295 29.700 0.119 0.000 0.769 452 E HN 0.846 nan 8.360 nan 0.000 0.456 453 W N 2.315 123.631 121.300 0.026 0.000 2.321 453 W HA -0.283 4.407 4.660 0.050 0.000 0.285 453 W C 1.680 178.207 176.519 0.014 0.000 1.213 453 W CA 1.966 59.327 57.345 0.025 0.000 1.205 453 W CB 0.012 29.478 29.460 0.011 0.000 1.134 453 W HN 0.118 nan 8.180 nan 0.000 0.549 454 E N 0.503 120.687 120.200 -0.026 0.000 2.038 454 E HA -0.096 4.284 4.350 0.051 0.000 0.190 454 E C 2.244 178.763 176.600 -0.135 0.000 0.967 454 E CA 1.388 57.719 56.400 -0.116 0.000 0.816 454 E CB -0.527 29.203 29.700 0.051 0.000 0.784 454 E HN -0.121 nan 8.360 nan 0.000 0.456 455 R N 0.716 121.181 120.500 -0.058 0.000 2.189 455 R HA 0.058 4.428 4.340 0.051 0.000 0.218 455 R C 1.662 177.920 176.300 -0.070 0.000 1.074 455 R CA 0.860 56.929 56.100 -0.053 0.000 0.991 455 R CB -0.278 30.012 30.300 -0.018 0.000 0.883 455 R HN 0.383 nan 8.270 nan 0.000 0.457 456 E N 0.099 120.251 120.200 -0.080 0.000 2.474 456 E HA 0.037 4.418 4.350 0.051 0.000 0.194 456 E C 1.779 178.292 176.600 -0.143 0.000 1.041 456 E CA -0.195 56.160 56.400 -0.076 0.000 0.874 456 E CB 0.226 29.910 29.700 -0.026 0.000 0.914 456 E HN 0.018 nan 8.360 nan 0.000 0.498 457 R N 1.455 121.800 120.500 -0.259 0.000 2.161 457 R HA -0.061 4.309 4.340 0.051 0.000 0.213 457 R C 1.243 177.409 176.300 -0.224 0.000 1.055 457 R CA 0.977 56.853 56.100 -0.373 0.000 0.996 457 R CB 0.192 30.072 30.300 -0.700 0.000 0.901 457 R HN 0.234 nan 8.270 nan 0.000 0.456 458 E N 0.249 120.351 120.200 -0.163 0.000 2.150 458 E HA -0.108 4.272 4.350 0.051 0.000 0.193 458 E C 2.006 178.561 176.600 -0.074 0.000 0.985 458 E CA 0.912 57.251 56.400 -0.101 0.000 0.814 458 E CB -0.070 29.584 29.700 -0.076 0.000 0.752 458 E HN 0.328 nan 8.360 nan 0.000 0.466 459 I N 1.224 121.749 120.570 -0.074 0.000 2.335 459 I HA -0.268 3.933 4.170 0.051 0.000 0.251 459 I C 2.469 178.557 176.117 -0.049 0.000 1.129 459 I CA 0.964 62.233 61.300 -0.051 0.000 1.402 459 I CB -0.114 37.859 38.000 -0.044 0.000 1.069 459 I HN 0.178 nan 8.210 nan 0.000 0.424 460 L N 0.204 121.387 121.223 -0.066 0.000 2.341 460 L HA -0.038 4.332 4.340 0.051 0.000 0.214 460 L C 2.555 179.400 176.870 -0.042 0.000 1.115 460 L CA 0.842 55.650 54.840 -0.053 0.000 0.820 460 L CB -0.268 41.751 42.059 -0.068 0.000 0.944 460 L HN 0.089 nan 8.230 nan 0.000 0.452 461 R N 0.661 121.132 120.500 -0.049 0.000 2.193 461 R HA -0.071 4.299 4.340 0.051 0.000 0.213 461 R C 1.679 177.975 176.300 -0.006 0.000 1.055 461 R CA 1.060 57.144 56.100 -0.025 0.000 0.995 461 R CB 0.033 30.310 30.300 -0.038 0.000 0.893 461 R HN 0.457 nan 8.270 nan 0.000 0.459 462 K N -0.403 119.987 120.400 -0.017 0.000 2.284 462 K HA 0.007 4.358 4.320 0.051 0.000 0.198 462 K C 1.597 178.186 176.600 -0.019 0.000 1.048 462 K CA 0.105 56.385 56.287 -0.010 0.000 0.987 462 K CB 0.061 32.552 32.500 -0.015 0.000 0.800 462 K HN -0.028 nan 8.250 nan 0.000 0.486 463 L N 1.321 122.527 121.223 -0.028 0.000 2.552 463 L HA 0.029 4.399 4.340 0.051 0.000 0.227 463 L C 1.904 178.738 176.870 -0.060 0.000 1.146 463 L CA 1.226 56.043 54.840 -0.038 0.000 0.858 463 L CB -0.198 41.841 42.059 -0.033 0.000 0.969 463 L HN -0.013 nan 8.230 nan 0.000 0.451 464 R N -0.699 119.769 120.500 -0.054 0.000 2.167 464 R HA -0.009 4.361 4.340 0.051 0.000 0.201 464 R C 2.071 178.251 176.300 -0.201 0.000 1.024 464 R CA 0.874 56.911 56.100 -0.104 0.000 1.053 464 R CB 0.061 30.363 30.300 0.003 0.000 0.987 464 R HN 0.613 nan 8.270 nan 0.000 0.493 465 E N 0.206 120.407 120.200 0.001 0.000 2.106 465 E HA -0.090 4.290 4.350 0.051 0.000 0.192 465 E C 1.747 178.352 176.600 0.009 0.000 0.984 465 E CA 1.063 57.545 56.400 0.137 0.000 0.806 465 E CB -0.233 29.546 29.700 0.131 0.000 0.750 465 E HN 0.297 nan 8.360 nan 0.000 0.458 466 A N 1.542 124.339 122.820 -0.037 0.000 1.948 466 A HA -0.282 4.069 4.320 0.051 0.000 0.220 466 A C 2.196 179.737 177.584 -0.072 0.000 1.177 466 A CA 1.885 53.901 52.037 -0.036 0.000 0.636 466 A CB -0.614 18.363 19.000 -0.039 0.000 0.815 466 A HN 0.376 nan 8.150 nan 0.000 0.449 467 Q N -1.316 118.378 119.800 -0.176 0.000 2.167 467 Q HA -0.165 4.205 4.340 0.051 0.000 0.202 467 Q C 1.858 177.751 176.000 -0.178 0.000 0.970 467 Q CA 1.371 57.044 55.803 -0.217 0.000 0.855 467 Q CB -0.259 28.282 28.738 -0.327 0.000 0.911 467 Q HN 0.807 nan 8.270 nan 0.000 0.438 468 H N 0.211 119.297 119.070 0.026 0.000 2.436 468 H HA 0.072 4.658 4.556 0.050 0.000 0.294 468 H C 1.813 177.160 175.328 0.032 0.000 1.048 468 H CA 0.835 56.906 56.048 0.038 0.000 1.353 468 H CB 0.123 29.905 29.762 0.034 0.000 1.414 468 H HN 0.196 nan 8.280 nan 0.000 0.536 469 R N 0.140 120.709 120.500 0.115 0.000 2.189 469 R HA -0.034 4.336 4.340 0.051 0.000 0.218 469 R C 1.978 178.309 176.300 0.052 0.000 1.074 469 R CA 0.368 56.513 56.100 0.074 0.000 0.991 469 R CB 0.065 30.395 30.300 0.051 0.000 0.883 469 R HN 0.100 nan 8.270 nan 0.000 0.457 470 L N 0.749 121.994 121.223 0.037 0.000 2.202 470 L HA 0.035 4.405 4.340 0.051 0.000 0.205 470 L C 1.061 177.958 176.870 0.046 0.000 1.083 470 L CA 1.775 56.633 54.840 0.029 0.000 0.790 470 L CB -0.110 41.951 42.059 0.003 0.000 0.942 470 L HN -0.083 nan 8.230 nan 0.000 0.452 471 D N 0.209 120.645 120.400 0.060 0.000 2.097 471 D HA -0.215 4.455 4.640 0.051 0.000 0.197 471 D C 2.023 178.371 176.300 0.080 0.000 0.984 471 D CA 1.661 55.709 54.000 0.080 0.000 0.826 471 D CB -0.129 40.743 40.800 0.119 0.000 0.973 471 D HN 0.685 nan 8.370 nan 0.000 0.460 472 E N 0.798 121.047 120.200 0.081 0.000 2.110 472 E HA -0.124 4.256 4.350 0.051 0.000 0.193 472 E C 2.042 178.675 176.600 0.056 0.000 0.988 472 E CA 0.933 57.372 56.400 0.066 0.000 0.804 472 E CB -0.356 29.382 29.700 0.063 0.000 0.745 472 E HN 0.071 nan 8.360 nan 0.000 0.458 473 V N 1.462 121.410 119.914 0.056 0.000 2.358 473 V HA -0.192 3.959 4.120 0.051 0.000 0.246 473 V C 2.407 178.535 176.094 0.056 0.000 1.047 473 V CA 2.028 64.359 62.300 0.053 0.000 1.035 473 V CB -0.580 31.275 31.823 0.053 0.000 0.658 473 V HN 0.242 nan 8.190 nan 0.000 0.452 474 R N -0.356 120.182 120.500 0.062 0.000 2.285 474 R HA -0.088 4.282 4.340 0.051 0.000 0.213 474 R C 2.366 178.695 176.300 0.048 0.000 1.068 474 R CA 0.839 56.979 56.100 0.066 0.000 1.004 474 R CB -0.248 30.094 30.300 0.070 0.000 0.873 474 R HN 0.427 nan 8.270 nan 0.000 0.467 475 R N 0.897 121.424 120.500 0.045 0.000 2.246 475 R HA -0.030 4.341 4.340 0.051 0.000 0.199 475 R C 0.940 177.253 176.300 0.021 0.000 0.984 475 R CA 0.833 56.953 56.100 0.034 0.000 1.015 475 R CB 0.383 30.708 30.300 0.041 0.000 0.930 475 R HN 0.250 nan 8.270 nan 0.000 0.475 476 E N 0.456 120.672 120.200 0.026 0.000 2.251 476 E HA -0.031 4.349 4.350 0.051 0.000 0.194 476 E C 1.945 178.544 176.600 -0.001 0.000 0.964 476 E CA 0.599 57.011 56.400 0.018 0.000 0.868 476 E CB 0.083 29.803 29.700 0.034 0.000 0.828 476 E HN 0.424 nan 8.360 nan 0.000 0.481 477 I N -0.253 120.320 120.570 0.005 0.000 2.361 477 I HA -0.169 4.031 4.170 0.051 0.000 0.251 477 I C 1.637 177.719 176.117 -0.059 0.000 1.133 477 I CA 1.525 62.814 61.300 -0.020 0.000 1.413 477 I CB -0.187 37.813 38.000 0.000 0.000 1.073 477 I HN -0.079 nan 8.210 nan 0.000 0.424 478 E N 0.840 121.011 120.200 -0.048 0.000 2.435 478 E HA -0.029 4.351 4.350 0.051 0.000 0.195 478 E C 1.885 178.422 176.600 -0.104 0.000 1.029 478 E CA 0.371 56.728 56.400 -0.070 0.000 0.865 478 E CB 0.126 29.800 29.700 -0.042 0.000 0.833 478 E HN 0.438 nan 8.360 nan 0.000 0.510 479 L N -0.001 121.162 121.223 -0.099 0.000 2.418 479 L HA 0.094 4.465 4.340 0.051 0.000 0.218 479 L C 1.721 178.404 176.870 -0.313 0.000 1.125 479 L CA 1.005 55.753 54.840 -0.153 0.000 0.835 479 L CB 0.058 42.087 42.059 -0.049 0.000 0.953 479 L HN -0.017 nan 8.230 nan 0.000 0.454 480 A N -1.181 121.510 122.820 -0.214 0.000 1.938 480 A HA 0.011 4.361 4.320 0.051 0.000 0.207 480 A C 2.163 179.622 177.584 -0.208 0.000 1.292 480 A CA 0.563 52.467 52.037 -0.222 0.000 0.700 480 A CB -0.507 18.444 19.000 -0.081 0.000 0.947 480 A HN 0.395 nan 8.150 nan 0.000 0.476 481 E N -0.176 119.933 120.200 -0.152 0.000 2.333 481 E HA -0.205 4.175 4.350 0.051 0.000 0.198 481 E C 2.041 178.556 176.600 -0.141 0.000 1.007 481 E CA 0.447 56.770 56.400 -0.129 0.000 0.845 481 E CB -0.049 29.579 29.700 -0.120 0.000 0.766 481 E HN 0.299 nan 8.360 nan 0.000 0.507 482 R N 0.211 120.600 120.500 -0.186 0.000 2.081 482 R HA -0.162 4.208 4.340 0.051 0.000 0.235 482 R C 1.571 177.764 176.300 -0.177 0.000 1.131 482 R CA 2.182 58.175 56.100 -0.180 0.000 0.960 482 R CB 0.114 30.283 30.300 -0.218 0.000 0.856 482 R HN 0.312 nan 8.270 nan 0.000 0.436 483 Q N -2.808 116.846 119.800 -0.244 0.000 2.038 483 Q HA -0.022 4.348 4.340 0.051 0.000 0.153 483 Q C -0.779 175.175 176.000 -0.077 0.000 0.647 483 Q CA 0.250 55.968 55.803 -0.142 0.000 0.898 483 Q CB 0.218 28.907 28.738 -0.082 0.000 1.111 483 Q HN 0.184 nan 8.270 nan 0.000 0.303 484 Y N 1.570 121.860 120.300 -0.016 0.000 2.496 484 Y HA 0.546 5.126 4.550 0.050 0.000 0.325 484 Y C -0.114 175.778 175.900 -0.013 0.000 1.271 484 Y CA -1.006 57.086 58.100 -0.014 0.000 1.368 484 Y CB -0.142 38.311 38.460 -0.011 0.000 1.415 484 Y HN 0.297 nan 8.280 nan 0.000 0.527 485 D N -0.314 120.275 120.400 0.316 0.000 2.859 485 D HA -0.268 4.402 4.640 0.051 0.000 0.214 485 D C 0.337 176.695 176.300 0.097 0.000 1.250 485 D CA 1.000 55.112 54.000 0.187 0.000 0.635 485 D CB -1.288 39.642 40.800 0.218 0.000 0.961 485 D HN 0.784 nan 8.370 nan 0.000 0.395 486 L N -0.110 121.139 121.223 0.043 0.000 2.418 486 L HA 0.045 4.416 4.340 0.051 0.000 0.218 486 L C 1.728 178.604 176.870 0.009 0.000 1.125 486 L CA 1.056 55.897 54.840 0.002 0.000 0.835 486 L CB -0.256 41.790 42.059 -0.022 0.000 0.953 486 L HN 0.196 nan 8.230 nan 0.000 0.454 487 N N -0.257 118.456 118.700 0.021 0.000 2.216 487 N HA -0.152 4.619 4.740 0.051 0.000 0.183 487 N C 1.627 177.149 175.510 0.019 0.000 1.017 487 N CA 0.671 53.731 53.050 0.017 0.000 0.861 487 N CB -0.130 38.368 38.487 0.018 0.000 0.986 487 N HN 0.310 nan 8.380 nan 0.000 0.428 488 R N 0.881 121.398 120.500 0.029 0.000 1.536 488 R HA 0.012 4.382 4.340 0.051 0.000 0.105 488 R C 1.944 178.259 176.300 0.025 0.000 0.562 488 R CA 1.677 57.794 56.100 0.028 0.000 1.837 488 R CB -0.583 29.739 30.300 0.038 0.000 0.508 488 R HN 0.141 nan 8.270 nan 0.000 0.728 489 A N -0.439 122.399 122.820 0.030 0.000 1.884 489 A HA 0.228 4.578 4.320 0.051 0.000 0.212 489 A C 2.253 179.852 177.584 0.025 0.000 1.265 489 A CA 1.011 53.064 52.037 0.028 0.000 0.626 489 A CB -1.243 17.775 19.000 0.030 0.000 0.943 489 A HN 0.655 nan 8.150 nan 0.000 0.466 490 A N -0.316 122.519 122.820 0.025 0.000 2.038 490 A HA -0.215 4.135 4.320 0.051 0.000 0.224 490 A C 1.159 178.741 177.584 -0.002 0.000 1.190 490 A CA 1.740 53.784 52.037 0.012 0.000 0.668 490 A CB -0.589 18.411 19.000 -0.001 0.000 0.820 490 A HN 0.431 nan 8.150 nan 0.000 0.474 491 E N -0.199 119.998 120.200 -0.005 0.000 2.299 491 E HA 0.274 4.655 4.350 0.051 0.000 0.272 491 E C 0.050 176.652 176.600 0.004 0.000 1.043 491 E CA -0.282 56.107 56.400 -0.019 0.000 0.895 491 E CB 0.410 30.100 29.700 -0.017 0.000 1.011 491 E HN 0.294 nan 8.360 nan 0.000 0.432 492 L N 3.400 124.621 121.223 -0.002 0.000 3.781 492 L HA -0.284 4.087 4.340 0.051 0.000 0.426 492 L C 1.343 178.278 176.870 0.108 0.000 1.197 492 L CA 0.928 55.806 54.840 0.064 0.000 0.907 492 L CB -1.377 40.710 42.059 0.046 0.000 1.812 492 L HN 0.580 nan 8.230 nan 0.000 0.956 493 R N -1.578 118.987 120.500 0.107 0.000 2.325 493 R HA -0.042 4.329 4.340 0.051 0.000 0.214 493 R C 1.745 178.128 176.300 0.138 0.000 0.961 493 R CA 0.085 56.240 56.100 0.092 0.000 1.086 493 R CB -0.024 30.317 30.300 0.069 0.000 1.037 493 R HN 0.435 nan 8.270 nan 0.000 0.493 494 Y N -0.914 119.386 120.300 0.000 0.000 2.483 494 Y HA 0.034 4.614 4.550 0.050 0.000 0.291 494 Y C 1.882 177.781 175.900 -0.001 0.000 1.143 494 Y CA 1.639 59.738 58.100 -0.001 0.000 1.289 494 Y CB 0.117 38.576 38.460 -0.002 0.000 0.983 494 Y HN 0.188 nan 8.280 nan 0.000 0.556 495 G N -1.736 107.120 108.800 0.093 0.000 2.921 495 G HA2 -0.009 3.982 3.960 0.051 0.000 0.213 495 G HA3 -0.009 3.982 3.960 0.051 0.000 0.213 495 G C 1.400 176.300 174.900 0.001 0.000 1.143 495 G CA 0.023 45.135 45.100 0.019 0.000 0.764 495 G HN 0.214 nan 8.290 nan 0.000 0.542 496 E N 0.296 120.505 120.200 0.016 0.000 2.307 496 E HA 0.195 4.576 4.350 0.051 0.000 0.195 496 E C 2.390 178.988 176.600 -0.004 0.000 0.975 496 E CA -0.102 56.303 56.400 0.008 0.000 0.878 496 E CB 0.227 29.939 29.700 0.019 0.000 0.845 496 E HN 0.360 nan 8.360 nan 0.000 0.488 497 L N 0.913 122.132 121.223 -0.008 0.000 2.291 497 L HA -0.052 4.319 4.340 0.051 0.000 0.214 497 L C -0.751 176.093 176.870 -0.043 0.000 1.120 497 L CA 0.624 55.453 54.840 -0.018 0.000 0.799 497 L CB -1.290 40.764 42.059 -0.008 0.000 0.925 497 L HN 0.008 nan 8.230 nan 0.000 0.446 498 P HA -0.218 nan 4.420 nan 0.000 0.222 498 P C 1.295 178.568 177.300 -0.046 0.000 1.142 498 P CA 1.022 64.079 63.100 -0.071 0.000 0.788 498 P CB 0.043 31.696 31.700 -0.079 0.000 0.767 499 K N 0.355 120.736 120.400 -0.032 0.000 2.103 499 K HA -0.136 4.214 4.320 0.051 0.000 0.207 499 K C 1.754 178.340 176.600 -0.023 0.000 1.048 499 K CA 1.562 57.835 56.287 -0.023 0.000 0.930 499 K CB -1.259 31.233 32.500 -0.014 0.000 0.716 499 K HN 0.112 nan 8.250 nan 0.000 0.444 500 L N 0.352 121.560 121.223 -0.025 0.000 2.027 500 L HA -0.076 4.295 4.340 0.051 0.000 0.206 500 L C 2.600 179.451 176.870 -0.032 0.000 1.074 500 L CA 1.788 56.613 54.840 -0.025 0.000 0.745 500 L CB -0.561 41.485 42.059 -0.021 0.000 0.898 500 L HN 0.383 nan 8.230 nan 0.000 0.433 501 E N 0.309 120.485 120.200 -0.040 0.000 2.409 501 E HA -0.173 4.207 4.350 0.051 0.000 0.198 501 E C 1.918 178.496 176.600 -0.038 0.000 1.024 501 E CA 0.783 57.157 56.400 -0.043 0.000 0.861 501 E CB 0.183 29.849 29.700 -0.056 0.000 0.788 501 E HN 0.474 nan 8.360 nan 0.000 0.521 502 A N 0.363 123.163 122.820 -0.033 0.000 1.997 502 A HA -0.005 4.346 4.320 0.051 0.000 0.212 502 A C 1.735 179.305 177.584 -0.024 0.000 1.178 502 A CA 0.433 52.453 52.037 -0.028 0.000 0.698 502 A CB 0.035 19.019 19.000 -0.026 0.000 0.842 502 A HN 0.201 nan 8.150 nan 0.000 0.458 503 E N -0.063 120.123 120.200 -0.024 0.000 2.014 503 E HA -0.080 4.300 4.350 0.051 0.000 0.190 503 E C 1.811 178.396 176.600 -0.024 0.000 0.980 503 E CA 1.149 57.536 56.400 -0.021 0.000 0.807 503 E CB -0.317 29.371 29.700 -0.020 0.000 0.770 503 E HN 0.232 nan 8.360 nan 0.000 0.451 504 V N 2.267 122.164 119.914 -0.029 0.000 2.613 504 V HA -0.277 3.873 4.120 0.051 0.000 0.259 504 V C 1.966 178.043 176.094 -0.028 0.000 1.099 504 V CA 1.731 64.011 62.300 -0.032 0.000 1.115 504 V CB -0.648 31.151 31.823 -0.040 0.000 0.686 504 V HN 0.234 nan 8.190 nan 0.000 0.481 505 E N 0.411 120.595 120.200 -0.026 0.000 2.038 505 E HA 0.083 4.464 4.350 0.051 0.000 0.190 505 E C 2.373 178.962 176.600 -0.020 0.000 0.967 505 E CA 1.263 57.649 56.400 -0.023 0.000 0.816 505 E CB -0.924 28.762 29.700 -0.024 0.000 0.784 505 E HN 0.491 nan 8.360 nan 0.000 0.456 506 A N 1.204 124.013 122.820 -0.018 0.000 2.186 506 A HA -0.131 4.219 4.320 0.051 0.000 0.219 506 A C 2.100 179.675 177.584 -0.014 0.000 1.159 506 A CA 1.021 53.049 52.037 -0.015 0.000 0.680 506 A CB -0.376 18.616 19.000 -0.014 0.000 0.787 506 A HN 0.179 nan 8.150 nan 0.000 0.467 507 L N 0.007 121.220 121.223 -0.017 0.000 2.130 507 L HA -0.012 4.358 4.340 0.051 0.000 0.200 507 L C 2.778 179.639 176.870 -0.016 0.000 1.075 507 L CA 2.447 57.277 54.840 -0.017 0.000 0.768 507 L CB -0.814 41.233 42.059 -0.020 0.000 0.933 507 L HN 0.429 nan 8.230 nan 0.000 0.451 508 S N -0.945 114.744 115.700 -0.018 0.000 2.387 508 S HA -0.311 4.189 4.470 0.051 0.000 0.230 508 S C 1.926 176.519 174.600 -0.011 0.000 1.035 508 S CA 1.525 59.716 58.200 -0.015 0.000 1.014 508 S CB -0.899 62.290 63.200 -0.018 0.000 0.836 508 S HN 0.631 nan 8.310 nan 0.000 0.466 509 E N 1.720 121.913 120.200 -0.012 0.000 2.058 509 E HA -0.245 4.135 4.350 0.051 0.000 0.194 509 E C 2.042 178.639 176.600 -0.006 0.000 0.997 509 E CA 1.431 57.825 56.400 -0.009 0.000 0.801 509 E CB -0.187 29.507 29.700 -0.010 0.000 0.746 509 E HN 0.660 nan 8.360 nan 0.000 0.450 510 K N 0.105 120.501 120.400 -0.007 0.000 2.063 510 K HA -0.179 4.172 4.320 0.051 0.000 0.208 510 K C 2.248 178.847 176.600 -0.002 0.000 1.048 510 K CA 1.195 57.479 56.287 -0.005 0.000 0.928 510 K CB -0.254 32.242 32.500 -0.007 0.000 0.713 510 K HN 0.142 nan 8.250 nan 0.000 0.442 511 L N 1.709 122.930 121.223 -0.005 0.000 2.191 511 L HA -0.101 4.270 4.340 0.051 0.000 0.212 511 L C 0.935 177.809 176.870 0.008 0.000 1.103 511 L CA 1.095 55.934 54.840 -0.001 0.000 0.769 511 L CB -0.427 41.628 42.059 -0.006 0.000 0.908 511 L HN 0.024 nan 8.230 nan 0.000 0.438 512 R N -0.207 120.295 120.500 0.004 0.000 2.473 512 R HA 0.327 4.697 4.340 0.051 0.000 0.315 512 R C 0.172 176.478 176.300 0.011 0.000 0.972 512 R CA 0.857 56.960 56.100 0.005 0.000 1.047 512 R CB -0.306 29.994 30.300 -0.002 0.000 0.932 512 R HN 0.415 nan 8.270 nan 0.000 0.411 513 G N 2.025 110.835 108.800 0.017 0.000 2.619 513 G HA2 0.492 4.482 3.960 0.051 0.000 0.146 513 G HA3 0.492 4.482 3.960 0.051 0.000 0.146 513 G C -1.649 173.267 174.900 0.028 0.000 1.192 513 G CA 0.039 45.153 45.100 0.024 0.000 1.063 513 G HN 0.767 nan 8.290 nan 0.000 0.538 514 A N -1.795 121.057 122.820 0.053 0.000 3.822 514 A HA 0.822 5.172 4.320 0.051 0.000 0.181 514 A C 0.741 178.415 177.584 0.150 0.000 0.902 514 A CA 0.474 52.546 52.037 0.058 0.000 0.825 514 A CB 0.078 19.107 19.000 0.048 0.000 1.447 514 A HN 1.347 nan 8.150 nan 0.000 0.732 515 R N -2.382 118.244 120.500 0.210 0.000 3.502 515 R HA -0.178 4.192 4.340 0.051 0.000 0.266 515 R C -0.841 175.878 176.300 0.698 0.000 1.077 515 R CA 0.904 57.257 56.100 0.420 0.000 0.718 515 R CB -2.666 27.840 30.300 0.343 0.000 1.120 515 R HN 1.105 nan 8.270 nan 0.000 0.457 516 F N -3.405 116.655 119.950 0.182 0.000 3.030 516 F HA -0.223 4.334 4.527 0.050 0.000 0.309 516 F C 1.090 177.039 175.800 0.248 0.000 0.941 516 F CA 0.733 58.870 58.000 0.230 0.000 1.082 516 F CB -2.029 37.148 39.000 0.295 0.000 1.113 516 F HN 0.115 nan 8.300 nan 0.000 0.716 517 V N -1.588 118.467 119.914 0.235 0.000 3.563 517 V HA 0.197 4.347 4.120 0.051 0.000 0.299 517 V C 1.484 177.635 176.094 0.094 0.000 1.290 517 V CA -0.394 61.991 62.300 0.142 0.000 1.201 517 V CB -0.256 31.618 31.823 0.084 0.000 1.045 517 V HN 0.278 nan 8.190 nan 0.000 0.425 518 R N 0.719 121.284 120.500 0.109 0.000 2.489 518 R HA 0.001 4.372 4.340 0.051 0.000 0.287 518 R C 0.300 176.636 176.300 0.060 0.000 0.902 518 R CA 0.674 56.814 56.100 0.067 0.000 1.136 518 R CB 0.316 30.674 30.300 0.097 0.000 0.872 518 R HN 0.545 nan 8.270 nan 0.000 0.421 519 L N 0.799 122.042 121.223 0.033 0.000 1.665 519 L HA 0.155 4.525 4.340 0.051 0.000 0.152 519 L C -0.153 176.725 176.870 0.013 0.000 1.320 519 L CA 0.551 55.407 54.840 0.026 0.000 1.147 519 L CB -0.010 42.058 42.059 0.016 0.000 2.398 519 L HN 0.412 nan 8.230 nan 0.000 0.483 520 E N 1.357 121.557 120.200 0.001 0.000 2.384 520 E HA 0.290 4.671 4.350 0.051 0.000 0.266 520 E C -0.918 175.675 176.600 -0.012 0.000 1.012 520 E CA 0.082 56.476 56.400 -0.009 0.000 0.901 520 E CB 1.404 31.096 29.700 -0.014 0.000 0.967 520 E HN 0.065 nan 8.360 nan 0.000 0.435 521 V N 3.885 123.788 119.914 -0.018 0.000 2.357 521 V HA 0.285 4.435 4.120 0.051 0.000 0.284 521 V C 0.567 176.640 176.094 -0.034 0.000 1.018 521 V CA -0.530 61.754 62.300 -0.026 0.000 0.841 521 V CB 1.405 33.210 31.823 -0.030 0.000 0.991 521 V HN 0.798 nan 8.190 nan 0.000 0.437 522 T N 0.317 114.848 114.554 -0.037 0.000 2.807 522 T HA 0.471 4.851 4.350 0.051 0.000 0.277 522 T C 0.875 175.547 174.700 -0.046 0.000 1.006 522 T CA -0.618 61.458 62.100 -0.039 0.000 1.006 522 T CB 1.760 70.607 68.868 -0.035 0.000 1.274 522 T HN 0.485 nan 8.240 nan 0.000 0.569 523 E N 0.587 120.761 120.200 -0.043 0.000 2.033 523 E HA -0.217 4.163 4.350 0.051 0.000 0.199 523 E C 2.005 178.572 176.600 -0.056 0.000 1.011 523 E CA 1.874 58.246 56.400 -0.047 0.000 0.815 523 E CB -0.203 29.474 29.700 -0.037 0.000 0.755 523 E HN 0.739 nan 8.360 nan 0.000 0.451 524 E N 0.913 121.083 120.200 -0.050 0.000 2.065 524 E HA -0.247 4.134 4.350 0.051 0.000 0.201 524 E C 1.936 178.498 176.600 -0.064 0.000 1.016 524 E CA 1.547 57.914 56.400 -0.054 0.000 0.818 524 E CB -0.175 29.497 29.700 -0.046 0.000 0.749 524 E HN 0.304 nan 8.360 nan 0.000 0.453 525 D N 0.599 120.963 120.400 -0.059 0.000 2.106 525 D HA -0.184 4.486 4.640 0.051 0.000 0.191 525 D C 2.077 178.323 176.300 -0.090 0.000 0.997 525 D CA 1.037 54.998 54.000 -0.064 0.000 0.834 525 D CB -0.145 40.625 40.800 -0.051 0.000 0.956 525 D HN 0.132 nan 8.370 nan 0.000 0.448 526 I N 1.655 122.168 120.570 -0.094 0.000 2.090 526 I HA -0.227 3.973 4.170 0.051 0.000 0.236 526 I C 2.786 178.813 176.117 -0.150 0.000 1.064 526 I CA 0.841 62.066 61.300 -0.125 0.000 1.324 526 I CB -1.508 36.432 38.000 -0.100 0.000 1.044 526 I HN -0.104 nan 8.210 nan 0.000 0.399 527 A N 0.477 123.228 122.820 -0.116 0.000 1.971 527 A HA -0.277 4.073 4.320 0.051 0.000 0.222 527 A C 2.230 179.728 177.584 -0.143 0.000 1.182 527 A CA 2.197 54.162 52.037 -0.121 0.000 0.649 527 A CB -0.805 18.139 19.000 -0.093 0.000 0.818 527 A HN 0.576 nan 8.150 nan 0.000 0.458 528 E N -0.331 119.793 120.200 -0.127 0.000 2.017 528 E HA -0.181 4.200 4.350 0.051 0.000 0.193 528 E C 2.049 178.548 176.600 -0.168 0.000 0.997 528 E CA 1.490 57.820 56.400 -0.117 0.000 0.804 528 E CB -0.470 29.180 29.700 -0.084 0.000 0.757 528 E HN 0.899 nan 8.360 nan 0.000 0.448 529 I N -1.053 119.381 120.570 -0.227 0.000 2.423 529 I HA -0.187 4.013 4.170 0.051 0.000 0.254 529 I C 2.081 177.783 176.117 -0.692 0.000 1.151 529 I CA 0.900 61.971 61.300 -0.380 0.000 1.421 529 I CB -0.303 37.464 38.000 -0.388 0.000 1.079 529 I HN -0.098 nan 8.210 nan 0.000 0.431 530 V N 0.744 120.362 119.914 -0.494 0.000 2.379 530 V HA -0.204 3.947 4.120 0.051 0.000 0.245 530 V C 2.818 178.777 176.094 -0.225 0.000 1.044 530 V CA 2.051 64.096 62.300 -0.425 0.000 1.036 530 V CB -0.562 31.118 31.823 -0.238 0.000 0.664 530 V HN 0.592 nan 8.190 nan 0.000 0.453 531 S N -0.265 115.331 115.700 -0.174 0.000 2.399 531 S HA -0.190 4.310 4.470 0.051 0.000 0.231 531 S C 2.144 176.732 174.600 -0.019 0.000 1.022 531 S CA 1.352 59.495 58.200 -0.095 0.000 0.983 531 S CB -0.293 62.852 63.200 -0.092 0.000 0.803 531 S HN 0.537 nan 8.310 nan 0.000 0.480 532 R N -0.769 119.711 120.500 -0.032 0.000 2.193 532 R HA -0.071 4.299 4.340 0.051 0.000 0.229 532 R C 1.055 177.572 176.300 0.362 0.000 1.110 532 R CA 1.440 57.610 56.100 0.117 0.000 0.988 532 R CB -0.142 30.223 30.300 0.109 0.000 0.871 532 R HN 0.532 nan 8.270 nan 0.000 0.458 533 W N -0.966 120.332 121.300 -0.004 0.000 3.220 533 W HA 0.270 4.960 4.660 0.050 0.000 0.328 533 W C 0.808 177.327 176.519 -0.000 0.000 1.205 533 W CA -0.183 57.164 57.345 0.004 0.000 1.773 533 W CB 0.034 29.502 29.460 0.013 0.000 1.086 533 W HN -0.040 nan 8.180 nan 0.000 0.622 534 T N -1.677 112.983 114.554 0.177 0.000 3.095 534 T HA 0.604 4.984 4.350 0.051 0.000 0.131 534 T C 0.184 174.901 174.700 0.028 0.000 0.848 534 T CA 0.371 62.521 62.100 0.085 0.000 0.773 534 T CB 1.188 70.076 68.868 0.035 0.000 1.791 534 T HN -0.171 nan 8.240 nan 0.000 0.311 535 G N 1.186 109.968 108.800 -0.031 0.000 2.657 535 G HA2 0.506 4.497 3.960 0.051 0.000 0.303 535 G HA3 0.506 4.497 3.960 0.051 0.000 0.303 535 G C -0.695 174.158 174.900 -0.079 0.000 1.457 535 G CA -0.426 44.651 45.100 -0.039 0.000 0.982 535 G HN 1.483 nan 8.290 nan 0.000 0.583 536 I N -0.913 119.621 120.570 -0.061 0.000 8.141 536 I HA -0.159 4.041 4.170 0.051 0.000 0.126 536 I C -2.225 173.835 176.117 -0.095 0.000 1.794 536 I CA -0.368 60.892 61.300 -0.067 0.000 2.140 536 I CB -0.530 37.437 38.000 -0.054 0.000 3.671 536 I HN 0.371 nan 8.210 nan 0.000 0.200 537 P HA -0.068 nan 4.420 nan 0.000 0.223 537 P C 1.821 179.074 177.300 -0.078 0.000 1.151 537 P CA 1.061 64.105 63.100 -0.093 0.000 0.787 537 P CB 0.225 31.879 31.700 -0.076 0.000 0.788 538 V N 0.190 120.067 119.914 -0.061 0.000 2.439 538 V HA -0.291 3.860 4.120 0.051 0.000 0.253 538 V C 2.357 178.420 176.094 -0.051 0.000 1.074 538 V CA 2.594 64.866 62.300 -0.047 0.000 1.076 538 V CB -1.500 30.301 31.823 -0.037 0.000 0.664 538 V HN 0.343 nan 8.190 nan 0.000 0.461 539 S N -1.014 114.645 115.700 -0.069 0.000 2.527 539 S HA 0.019 4.519 4.470 0.051 0.000 0.225 539 S C 1.839 176.378 174.600 -0.101 0.000 1.046 539 S CA 0.254 58.412 58.200 -0.070 0.000 0.929 539 S CB -0.305 62.853 63.200 -0.070 0.000 0.851 539 S HN 0.293 nan 8.310 nan 0.000 0.565 540 K N 1.388 121.678 120.400 -0.184 0.000 2.090 540 K HA -0.103 4.248 4.320 0.051 0.000 0.218 540 K C 1.700 178.228 176.600 -0.119 0.000 1.055 540 K CA 1.758 57.880 56.287 -0.276 0.000 0.941 540 K CB -1.017 31.286 32.500 -0.329 0.000 0.722 540 K HN 0.421 nan 8.250 nan 0.000 0.458 541 L N -0.496 120.673 121.223 -0.090 0.000 2.044 541 L HA 0.046 4.417 4.340 0.051 0.000 0.218 541 L C 1.725 178.577 176.870 -0.030 0.000 1.133 541 L CA 0.920 55.730 54.840 -0.050 0.000 1.742 541 L CB -1.270 40.758 42.059 -0.053 0.000 1.442 541 L HN 0.216 nan 8.230 nan 0.000 0.839 542 L N 0.685 121.890 121.223 -0.030 0.000 2.386 542 L HA -0.333 4.038 4.340 0.051 0.000 0.248 542 L C 0.749 177.613 176.870 -0.010 0.000 1.129 542 L CA 1.970 56.798 54.840 -0.020 0.000 0.812 542 L CB -1.314 40.731 42.059 -0.023 0.000 0.995 542 L HN 0.589 nan 8.230 nan 0.000 0.419 543 E N 0.958 121.151 120.200 -0.012 0.000 3.379 543 E HA -0.017 4.364 4.350 0.051 0.000 0.257 543 E C 0.048 176.656 176.600 0.014 0.000 0.882 543 E CA 1.005 57.404 56.400 -0.001 0.000 0.962 543 E CB -0.598 29.099 29.700 -0.004 0.000 0.900 543 E HN 0.523 nan 8.360 nan 0.000 0.560 544 G N 2.936 111.745 108.800 0.016 0.000 2.371 544 G HA2 0.160 4.151 3.960 0.051 0.000 0.326 544 G HA3 0.160 4.151 3.960 0.051 0.000 0.326 544 G C 0.771 175.690 174.900 0.031 0.000 1.127 544 G CA -0.472 44.643 45.100 0.025 0.000 0.885 544 G HN 0.472 nan 8.290 nan 0.000 0.477 545 E N 1.185 121.412 120.200 0.044 0.000 2.114 545 E HA -0.281 4.099 4.350 0.051 0.000 0.199 545 E C 2.529 179.149 176.600 0.033 0.000 1.008 545 E CA 2.193 58.623 56.400 0.048 0.000 0.810 545 E CB -0.008 29.730 29.700 0.063 0.000 0.739 545 E HN 0.690 nan 8.360 nan 0.000 0.456 546 R N 0.237 120.754 120.500 0.029 0.000 2.082 546 R HA -0.157 4.213 4.340 0.051 0.000 0.234 546 R C 2.291 178.600 176.300 0.014 0.000 1.136 546 R CA 1.559 57.672 56.100 0.021 0.000 0.935 546 R CB -0.886 29.425 30.300 0.018 0.000 0.842 546 R HN 0.078 nan 8.270 nan 0.000 0.430 547 E N 1.490 121.697 120.200 0.012 0.000 2.058 547 E HA -0.225 4.155 4.350 0.051 0.000 0.194 547 E C 1.922 178.524 176.600 0.005 0.000 0.997 547 E CA 1.670 58.074 56.400 0.007 0.000 0.801 547 E CB -0.111 29.592 29.700 0.005 0.000 0.746 547 E HN 0.422 nan 8.360 nan 0.000 0.450 548 K N 0.093 120.497 120.400 0.006 0.000 2.032 548 K HA -0.095 4.256 4.320 0.051 0.000 0.209 548 K C 2.483 179.079 176.600 -0.006 0.000 1.048 548 K CA 1.188 57.475 56.287 -0.000 0.000 0.927 548 K CB -0.180 32.323 32.500 0.005 0.000 0.712 548 K HN 0.119 nan 8.250 nan 0.000 0.441 549 L N 0.631 121.854 121.223 0.001 0.000 2.201 549 L HA -0.166 4.204 4.340 0.051 0.000 0.212 549 L C 1.994 178.864 176.870 -0.000 0.000 1.105 549 L CA 0.323 55.162 54.840 -0.000 0.000 0.775 549 L CB -0.145 41.922 42.059 0.013 0.000 0.913 549 L HN 0.192 nan 8.230 nan 0.000 0.440 550 L N -0.811 120.413 121.223 0.002 0.000 2.095 550 L HA -0.060 4.310 4.340 0.051 0.000 0.204 550 L C 2.349 179.219 176.870 -0.000 0.000 1.080 550 L CA 1.522 56.364 54.840 0.003 0.000 0.759 550 L CB -0.512 41.550 42.059 0.004 0.000 0.914 550 L HN 0.077 nan 8.230 nan 0.000 0.439 551 R N -0.787 119.712 120.500 -0.002 0.000 2.310 551 R HA 0.020 4.391 4.340 0.051 0.000 0.202 551 R C 1.858 178.154 176.300 -0.007 0.000 0.933 551 R CA -0.092 56.007 56.100 -0.001 0.000 1.054 551 R CB -0.234 30.065 30.300 -0.002 0.000 0.985 551 R HN 0.167 nan 8.270 nan 0.000 0.489 552 L N 1.978 123.191 121.223 -0.016 0.000 2.010 552 L HA -0.284 4.086 4.340 0.051 0.000 0.219 552 L C 1.661 178.507 176.870 -0.041 0.000 1.077 552 L CA 1.989 56.809 54.840 -0.033 0.000 0.773 552 L CB -0.285 41.752 42.059 -0.037 0.000 0.892 552 L HN 0.156 nan 8.230 nan 0.000 0.436 553 E N -0.921 119.263 120.200 -0.027 0.000 2.153 553 E HA -0.231 4.150 4.350 0.051 0.000 0.194 553 E C 1.992 178.617 176.600 0.040 0.000 0.988 553 E CA 1.379 57.766 56.400 -0.022 0.000 0.811 553 E CB -0.128 29.584 29.700 0.021 0.000 0.746 553 E HN 0.656 nan 8.360 nan 0.000 0.466 554 E N 0.763 120.991 120.200 0.046 0.000 2.001 554 E HA -0.192 4.189 4.350 0.051 0.000 0.195 554 E C 2.093 178.722 176.600 0.049 0.000 1.002 554 E CA 0.866 57.305 56.400 0.065 0.000 0.819 554 E CB -0.014 29.704 29.700 0.031 0.000 0.769 554 E HN 0.157 nan 8.360 nan 0.000 0.454 555 E N 0.930 121.136 120.200 0.010 0.000 2.086 555 E HA -0.248 4.132 4.350 0.051 0.000 0.205 555 E C 2.310 178.901 176.600 -0.016 0.000 1.027 555 E CA 1.115 57.513 56.400 -0.003 0.000 0.830 555 E CB -0.572 29.116 29.700 -0.019 0.000 0.751 555 E HN 0.307 nan 8.360 nan 0.000 0.456 556 L N 0.385 121.572 121.223 -0.059 0.000 2.042 556 L HA -0.210 4.161 4.340 0.051 0.000 0.210 556 L C 2.614 179.413 176.870 -0.118 0.000 1.076 556 L CA 1.272 56.041 54.840 -0.117 0.000 0.749 556 L CB -0.584 41.349 42.059 -0.210 0.000 0.893 556 L HN 0.221 nan 8.230 nan 0.000 0.432 557 H N 0.425 119.476 119.070 -0.030 0.000 2.491 557 H HA -0.081 4.505 4.556 0.051 0.000 0.290 557 H C 2.059 177.376 175.328 -0.019 0.000 1.050 557 H CA 0.885 56.915 56.048 -0.030 0.000 1.309 557 H CB 0.104 29.844 29.762 -0.037 0.000 1.392 557 H HN 0.349 nan 8.280 nan 0.000 0.554 558 K N 0.379 120.834 120.400 0.091 0.000 2.360 558 K HA -0.088 4.263 4.320 0.051 0.000 0.201 558 K C 1.731 178.356 176.600 0.043 0.000 1.046 558 K CA 0.923 57.243 56.287 0.054 0.000 0.945 558 K CB 0.303 32.822 32.500 0.032 0.000 0.750 558 K HN 0.260 nan 8.250 nan 0.000 0.464 559 R N -0.494 120.027 120.500 0.035 0.000 2.412 559 R HA 0.147 4.517 4.340 0.051 0.000 0.212 559 R C -0.260 176.061 176.300 0.034 0.000 0.878 559 R CA -0.008 56.109 56.100 0.028 0.000 1.022 559 R CB 1.167 31.477 30.300 0.015 0.000 1.265 559 R HN -0.147 nan 8.270 nan 0.000 0.620 560 V N 2.532 122.463 119.914 0.029 0.000 2.328 560 V HA 0.252 4.403 4.120 0.051 0.000 0.278 560 V C 0.017 176.171 176.094 0.101 0.000 1.021 560 V CA -0.695 61.627 62.300 0.036 0.000 0.838 560 V CB 1.801 33.609 31.823 -0.025 0.000 0.999 560 V HN -0.128 nan 8.190 nan 0.000 0.447 561 V N 5.580 125.548 119.914 0.089 0.000 2.583 561 V HA 0.691 4.842 4.120 0.051 0.000 0.287 561 V C 1.207 177.351 176.094 0.084 0.000 1.051 561 V CA 1.085 63.438 62.300 0.089 0.000 1.010 561 V CB 0.505 32.350 31.823 0.037 0.000 0.988 561 V HN 1.245 nan 8.190 nan 0.000 0.478 562 G N 3.699 112.548 108.800 0.082 0.000 2.564 562 G HA2 -0.263 3.727 3.960 0.051 0.000 0.273 562 G HA3 -0.263 3.727 3.960 0.051 0.000 0.273 562 G C 0.086 175.015 174.900 0.049 0.000 1.242 562 G CA 0.168 45.291 45.100 0.039 0.000 0.951 562 G HN 0.998 nan 8.290 nan 0.000 0.564 563 Q N -0.575 119.189 119.800 -0.059 0.000 2.457 563 Q HA -0.196 4.175 4.340 0.051 0.000 0.283 563 Q C 1.183 177.050 176.000 -0.223 0.000 1.234 563 Q CA 1.614 57.284 55.803 -0.223 0.000 0.877 563 Q CB -1.672 26.871 28.738 -0.324 0.000 1.250 563 Q HN 0.832 nan 8.270 nan 0.000 0.481 564 D N 0.782 121.138 120.400 -0.073 0.000 2.149 564 D HA -0.220 4.451 4.640 0.051 0.000 0.194 564 D C 1.640 177.863 176.300 -0.128 0.000 1.001 564 D CA 1.635 55.628 54.000 -0.011 0.000 0.849 564 D CB 0.063 40.852 40.800 -0.019 0.000 0.939 564 D HN 0.665 nan 8.370 nan 0.000 0.449 565 E N 0.996 121.076 120.200 -0.200 0.000 2.085 565 E HA -0.205 4.175 4.350 0.051 0.000 0.194 565 E C 2.055 178.498 176.600 -0.262 0.000 0.994 565 E CA 1.235 57.504 56.400 -0.219 0.000 0.801 565 E CB -0.009 29.537 29.700 -0.257 0.000 0.743 565 E HN 0.176 nan 8.360 nan 0.000 0.453 566 A N 0.809 123.369 122.820 -0.433 0.000 1.858 566 A HA -0.178 4.173 4.320 0.051 0.000 0.216 566 A C 2.096 179.448 177.584 -0.387 0.000 1.190 566 A CA 1.594 53.293 52.037 -0.564 0.000 0.617 566 A CB -0.614 17.705 19.000 -1.134 0.000 0.827 566 A HN 0.298 nan 8.150 nan 0.000 0.443 567 I N 0.002 120.363 120.570 -0.347 0.000 2.163 567 I HA -0.257 3.944 4.170 0.051 0.000 0.243 567 I C 2.543 178.554 176.117 -0.177 0.000 1.085 567 I CA 1.480 62.609 61.300 -0.284 0.000 1.347 567 I CB -0.627 37.144 38.000 -0.381 0.000 1.044 567 I HN 0.280 nan 8.210 nan 0.000 0.408 568 R N 0.395 120.818 120.500 -0.129 0.000 2.148 568 R HA -0.271 4.099 4.340 0.051 0.000 0.230 568 R C 2.336 178.606 176.300 -0.050 0.000 1.120 568 R CA 1.981 58.039 56.100 -0.070 0.000 0.902 568 R CB -1.227 29.035 30.300 -0.064 0.000 0.839 568 R HN 0.411 nan 8.270 nan 0.000 0.431 569 A N 0.811 123.603 122.820 -0.046 0.000 1.881 569 A HA -0.241 4.110 4.320 0.051 0.000 0.219 569 A C 2.502 180.137 177.584 0.085 0.000 1.215 569 A CA 2.458 54.517 52.037 0.036 0.000 0.648 569 A CB -1.116 17.916 19.000 0.053 0.000 0.832 569 A HN 0.208 nan 8.150 nan 0.000 0.455 570 V N -0.408 119.451 119.914 -0.091 0.000 2.255 570 V HA -0.275 3.875 4.120 0.051 0.000 0.247 570 V C 3.082 179.172 176.094 -0.006 0.000 1.051 570 V CA 2.288 64.441 62.300 -0.245 0.000 1.018 570 V CB -1.373 30.143 31.823 -0.511 0.000 0.641 570 V HN 0.704 nan 8.190 nan 0.000 0.445 571 A N -0.240 122.554 122.820 -0.043 0.000 1.883 571 A HA -0.270 4.080 4.320 0.051 0.000 0.217 571 A C 2.033 179.640 177.584 0.039 0.000 1.186 571 A CA 2.083 54.115 52.037 -0.010 0.000 0.624 571 A CB -0.682 18.296 19.000 -0.037 0.000 0.822 571 A HN 0.575 nan 8.150 nan 0.000 0.444 572 D N 0.005 120.433 120.400 0.046 0.000 2.144 572 D HA -0.056 4.614 4.640 0.051 0.000 0.199 572 D C 2.242 178.596 176.300 0.090 0.000 0.984 572 D CA 1.397 55.431 54.000 0.056 0.000 0.834 572 D CB -0.355 40.473 40.800 0.046 0.000 0.955 572 D HN 0.443 nan 8.370 nan 0.000 0.465 573 A N 1.163 124.078 122.820 0.159 0.000 1.858 573 A HA -0.146 4.205 4.320 0.051 0.000 0.216 573 A C 2.392 180.067 177.584 0.151 0.000 1.190 573 A CA 0.917 53.065 52.037 0.185 0.000 0.617 573 A CB -0.745 18.479 19.000 0.374 0.000 0.827 573 A HN 0.161 nan 8.150 nan 0.000 0.443 574 I N -0.972 119.710 120.570 0.185 0.000 2.163 574 I HA -0.292 3.908 4.170 0.051 0.000 0.243 574 I C 2.826 178.991 176.117 0.081 0.000 1.085 574 I CA 1.542 62.921 61.300 0.132 0.000 1.347 574 I CB -0.426 37.638 38.000 0.107 0.000 1.044 574 I HN 0.299 nan 8.210 nan 0.000 0.408 575 R N 0.276 120.815 120.500 0.064 0.000 2.081 575 R HA -0.167 4.203 4.340 0.051 0.000 0.235 575 R C 2.480 178.805 176.300 0.042 0.000 1.131 575 R CA 1.294 57.421 56.100 0.045 0.000 0.960 575 R CB -0.361 29.959 30.300 0.033 0.000 0.856 575 R HN 0.304 nan 8.270 nan 0.000 0.436 576 R N 0.349 120.876 120.500 0.045 0.000 2.152 576 R HA -0.098 4.273 4.340 0.051 0.000 0.232 576 R C 2.079 178.399 176.300 0.032 0.000 1.117 576 R CA 1.214 57.335 56.100 0.035 0.000 0.981 576 R CB -0.094 30.227 30.300 0.034 0.000 0.870 576 R HN 0.209 nan 8.270 nan 0.000 0.451 577 A N 1.413 124.259 122.820 0.043 0.000 1.841 577 A HA -0.076 4.274 4.320 0.051 0.000 0.214 577 A C 1.079 178.688 177.584 0.043 0.000 1.195 577 A CA 0.839 52.900 52.037 0.041 0.000 0.611 577 A CB -0.280 18.755 19.000 0.057 0.000 0.835 577 A HN 0.142 nan 8.150 nan 0.000 0.443 578 R N -2.543 117.989 120.500 0.052 0.000 3.038 578 R HA 0.364 4.734 4.340 0.051 0.000 0.263 578 R C 1.358 177.681 176.300 0.038 0.000 1.208 578 R CA 0.675 56.806 56.100 0.052 0.000 1.116 578 R CB -0.977 29.357 30.300 0.057 0.000 1.045 578 R HN 1.150 nan 8.270 nan 0.000 0.549 579 A N -1.312 121.529 122.820 0.035 0.000 4.284 579 A HA -0.221 4.129 4.320 0.051 0.000 0.264 579 A C 1.155 178.752 177.584 0.022 0.000 0.856 579 A CA 2.453 54.506 52.037 0.026 0.000 1.165 579 A CB -2.155 16.860 19.000 0.024 0.000 1.059 579 A HN 1.737 nan 8.150 nan 0.000 0.803 580 G N -2.782 106.033 108.800 0.024 0.000 2.324 580 G HA2 0.009 4.000 3.960 0.051 0.000 0.292 580 G HA3 0.009 4.000 3.960 0.051 0.000 0.292 580 G C 0.022 174.930 174.900 0.013 0.000 1.079 580 G CA 0.520 45.631 45.100 0.018 0.000 1.026 580 G HN 1.380 nan 8.290 nan 0.000 0.506 581 L N -0.775 120.456 121.223 0.012 0.000 2.808 581 L HA 0.444 4.815 4.340 0.051 0.000 0.246 581 L C 0.829 177.700 176.870 0.002 0.000 1.153 581 L CA 0.533 55.377 54.840 0.007 0.000 0.956 581 L CB 0.281 42.345 42.059 0.009 0.000 1.270 581 L HN 0.164 nan 8.230 nan 0.000 0.528 582 K N -0.311 120.091 120.400 0.002 0.000 2.443 582 K HA 0.272 4.623 4.320 0.051 0.000 0.251 582 K C -0.884 175.713 176.600 -0.005 0.000 0.972 582 K CA -0.849 55.434 56.287 -0.005 0.000 0.833 582 K CB 1.617 34.112 32.500 -0.009 0.000 1.317 582 K HN -0.214 nan 8.250 nan 0.000 0.441 583 D N 2.458 122.852 120.400 -0.011 0.000 2.531 583 D HA -0.026 4.644 4.640 0.051 0.000 0.239 583 D C -1.534 174.762 176.300 -0.007 0.000 1.144 583 D CA -0.806 53.188 54.000 -0.010 0.000 0.869 583 D CB 0.940 41.730 40.800 -0.016 0.000 1.160 583 D HN 0.056 nan 8.370 nan 0.000 0.484 584 P HA -0.070 nan 4.420 nan 0.000 0.219 584 P C -0.020 177.280 177.300 0.000 0.000 1.146 584 P CA 0.730 63.831 63.100 0.002 0.000 0.808 584 P CB 0.219 31.922 31.700 0.003 0.000 0.779 585 N N 1.279 119.976 118.700 -0.005 0.000 3.298 585 N HA 0.157 4.928 4.740 0.051 0.000 0.292 585 N C 0.065 175.568 175.510 -0.011 0.000 1.271 585 N CA 0.269 53.316 53.050 -0.006 0.000 1.184 585 N CB 0.096 38.577 38.487 -0.011 0.000 1.452 585 N HN 0.249 nan 8.380 nan 0.000 0.534 586 R N -0.312 120.184 120.500 -0.006 0.000 2.728 586 R HA 0.418 4.789 4.340 0.051 0.000 0.274 586 R C -3.018 173.284 176.300 0.004 0.000 1.030 586 R CA -1.383 54.709 56.100 -0.014 0.000 0.876 586 R CB 1.157 31.438 30.300 -0.032 0.000 1.259 586 R HN 0.017 nan 8.270 nan 0.000 0.468 587 P HA 0.257 nan 4.420 nan 0.000 0.276 587 P C 0.611 177.919 177.300 0.013 0.000 1.244 587 P CA -0.367 62.752 63.100 0.032 0.000 0.801 587 P CB 0.538 32.263 31.700 0.041 0.000 1.006 588 I N -0.129 120.471 120.570 0.049 0.000 2.300 588 I HA -0.137 4.063 4.170 0.051 0.000 0.252 588 I C 1.165 177.306 176.117 0.040 0.000 1.119 588 I CA 1.640 62.980 61.300 0.068 0.000 1.384 588 I CB -0.663 37.419 38.000 0.135 0.000 1.062 588 I HN 0.469 nan 8.210 nan 0.000 0.426 589 G N -0.052 108.750 108.800 0.003 0.000 2.716 589 G HA2 0.430 4.420 3.960 0.051 0.000 0.299 589 G HA3 0.430 4.420 3.960 0.051 0.000 0.299 589 G C -1.237 173.419 174.900 -0.407 0.000 1.450 589 G CA -0.195 44.792 45.100 -0.188 0.000 0.968 589 G HN 0.090 nan 8.290 nan 0.000 0.566 590 S N 0.365 115.587 115.700 -0.796 0.000 2.500 590 S HA 0.911 5.411 4.470 0.051 0.000 0.301 590 S C -1.036 172.952 174.600 -1.021 0.000 1.092 590 S CA -0.773 57.036 58.200 -0.651 0.000 1.030 590 S CB 1.360 64.337 63.200 -0.371 0.000 1.031 590 S HN 0.611 nan 8.310 nan 0.000 0.483 591 F N 1.155 121.057 119.950 -0.079 0.000 2.613 591 F HA 0.700 5.257 4.527 0.051 0.000 0.314 591 F C -0.801 174.940 175.800 -0.098 0.000 1.075 591 F CA -1.220 56.760 58.000 -0.034 0.000 0.945 591 F CB 1.868 40.923 39.000 0.093 0.000 1.310 591 F HN 0.573 nan 8.300 nan 0.000 0.467 592 L N 2.889 124.267 121.223 0.257 0.000 2.388 592 L HA 0.510 4.880 4.340 0.051 0.000 0.267 592 L C -1.636 175.517 176.870 0.472 0.000 0.995 592 L CA -0.426 54.531 54.840 0.194 0.000 0.864 592 L CB 0.242 42.346 42.059 0.075 0.000 1.216 592 L HN 0.513 nan 8.230 nan 0.000 0.430 593 F N 5.902 125.975 119.950 0.205 0.000 2.444 593 F HA 0.368 4.926 4.527 0.051 0.000 0.360 593 F C 0.171 176.077 175.800 0.177 0.000 1.106 593 F CA -0.706 57.440 58.000 0.244 0.000 1.170 593 F CB 0.703 39.753 39.000 0.083 0.000 1.113 593 F HN 0.313 nan 8.300 nan 0.000 0.521 594 L N 2.573 124.052 121.223 0.426 0.000 2.303 594 L HA 0.939 5.309 4.340 0.051 0.000 0.266 594 L C 0.366 177.405 176.870 0.281 0.000 1.011 594 L CA -0.773 54.240 54.840 0.287 0.000 0.818 594 L CB 1.919 44.132 42.059 0.257 0.000 1.326 594 L HN 0.815 nan 8.230 nan 0.000 0.435 595 G N 0.619 109.536 108.800 0.195 0.000 2.331 595 G HA2 -0.004 3.986 3.960 0.051 0.000 0.402 595 G HA3 -0.004 3.986 3.960 0.051 0.000 0.402 595 G C -3.235 171.737 174.900 0.120 0.000 1.275 595 G CA -1.059 44.150 45.100 0.182 0.000 1.003 595 G HN 0.376 nan 8.290 nan 0.000 0.500 596 P HA 0.395 nan 4.420 nan 0.000 0.280 596 P C 0.285 177.619 177.300 0.057 0.000 1.278 596 P CA 0.184 63.336 63.100 0.086 0.000 0.787 596 P CB 0.283 32.048 31.700 0.109 0.000 1.163 597 T N -1.087 113.497 114.554 0.050 0.000 2.945 597 T HA 0.488 4.868 4.350 0.051 0.000 0.286 597 T C 0.573 175.292 174.700 0.031 0.000 1.025 597 T CA 0.277 62.396 62.100 0.030 0.000 1.039 597 T CB 0.776 69.677 68.868 0.054 0.000 1.068 597 T HN 0.755 nan 8.240 nan 0.000 0.497 598 G N 0.723 109.528 108.800 0.008 0.000 2.395 598 G HA2 -0.191 3.799 3.960 0.051 0.000 0.300 598 G HA3 -0.191 3.799 3.960 0.051 0.000 0.300 598 G C 0.485 175.445 174.900 0.100 0.000 0.998 598 G CA 0.582 45.699 45.100 0.028 0.000 1.046 598 G HN 1.301 nan 8.290 nan 0.000 0.513 599 V N -4.070 115.901 119.914 0.095 0.000 3.252 599 V HA 0.753 4.903 4.120 0.051 0.000 0.320 599 V C 1.384 177.590 176.094 0.188 0.000 1.459 599 V CA 0.803 63.211 62.300 0.180 0.000 1.095 599 V CB 0.056 32.021 31.823 0.236 0.000 0.997 599 V HN 1.849 nan 8.190 nan 0.000 0.469 600 G N 0.653 109.510 108.800 0.094 0.000 3.514 600 G HA2 -0.177 3.813 3.960 0.051 0.000 0.197 600 G HA3 -0.177 3.813 3.960 0.051 0.000 0.197 600 G C 0.864 175.761 174.900 -0.005 0.000 1.098 600 G CA 0.209 45.406 45.100 0.163 0.000 0.884 600 G HN 0.316 nan 8.290 nan 0.000 0.433 601 K N 0.398 120.452 120.400 -0.576 0.000 1.986 601 K HA -0.193 4.157 4.320 0.051 0.000 0.230 601 K C 2.433 179.047 176.600 0.023 0.000 1.048 601 K CA 2.572 58.539 56.287 -0.532 0.000 1.008 601 K CB -0.873 31.331 32.500 -0.493 0.000 0.737 601 K HN 0.315 nan 8.250 nan 0.000 0.447 602 T N 1.453 116.005 114.554 -0.003 0.000 2.759 602 T HA -0.151 4.230 4.350 0.051 0.000 0.269 602 T C 1.752 176.486 174.700 0.057 0.000 1.042 602 T CA 1.221 63.345 62.100 0.040 0.000 1.140 602 T CB -0.166 68.706 68.868 0.007 0.000 0.864 602 T HN 0.232 nan 8.240 nan 0.000 0.455 603 E N 0.757 120.985 120.200 0.047 0.000 2.031 603 E HA -0.093 4.287 4.350 0.051 0.000 0.193 603 E C 2.239 178.884 176.600 0.075 0.000 0.994 603 E CA 0.846 57.278 56.400 0.053 0.000 0.800 603 E CB -0.498 29.234 29.700 0.052 0.000 0.752 603 E HN 0.319 nan 8.360 nan 0.000 0.447 604 L N 1.011 122.303 121.223 0.116 0.000 2.042 604 L HA -0.151 4.219 4.340 0.051 0.000 0.210 604 L C 2.208 179.167 176.870 0.148 0.000 1.076 604 L CA 2.307 57.222 54.840 0.126 0.000 0.749 604 L CB -0.923 41.250 42.059 0.191 0.000 0.893 604 L HN 0.051 nan 8.230 nan 0.000 0.432 605 A N -0.627 122.317 122.820 0.207 0.000 1.883 605 A HA -0.264 4.086 4.320 0.051 0.000 0.217 605 A C 2.384 180.024 177.584 0.093 0.000 1.186 605 A CA 2.174 54.303 52.037 0.153 0.000 0.624 605 A CB -0.550 18.522 19.000 0.121 0.000 0.822 605 A HN 0.529 nan 8.150 nan 0.000 0.444 606 K N -1.102 119.341 120.400 0.072 0.000 2.001 606 K HA -0.091 4.259 4.320 0.051 0.000 0.208 606 K C 2.174 178.801 176.600 0.044 0.000 1.048 606 K CA 1.805 58.123 56.287 0.051 0.000 0.932 606 K CB -0.458 32.062 32.500 0.034 0.000 0.715 606 K HN 0.483 nan 8.250 nan 0.000 0.437 607 T N 2.231 116.805 114.554 0.035 0.000 2.759 607 T HA -0.153 4.228 4.350 0.051 0.000 0.269 607 T C 1.756 176.456 174.700 0.000 0.000 1.042 607 T CA 0.958 63.066 62.100 0.014 0.000 1.140 607 T CB -0.172 68.698 68.868 0.002 0.000 0.864 607 T HN 0.153 nan 8.240 nan 0.000 0.455 608 L N 0.545 121.771 121.223 0.006 0.000 1.994 608 L HA -0.142 4.229 4.340 0.051 0.000 0.208 608 L C 2.899 179.741 176.870 -0.047 0.000 1.071 608 L CA 1.554 56.375 54.840 -0.032 0.000 0.745 608 L CB -0.671 41.386 42.059 -0.003 0.000 0.892 608 L HN 0.296 nan 8.230 nan 0.000 0.431 609 A N -0.205 122.642 122.820 0.045 0.000 1.892 609 A HA -0.300 4.050 4.320 0.051 0.000 0.218 609 A C 2.398 180.053 177.584 0.119 0.000 1.188 609 A CA 2.236 54.361 52.037 0.148 0.000 0.631 609 A CB -1.004 18.099 19.000 0.171 0.000 0.822 609 A HN 0.587 nan 8.150 nan 0.000 0.447 610 A N -1.585 121.275 122.820 0.067 0.000 1.835 610 A HA -0.129 4.221 4.320 0.051 0.000 0.215 610 A C 2.462 180.059 177.584 0.021 0.000 1.199 610 A CA 2.657 54.727 52.037 0.055 0.000 0.615 610 A CB -1.501 17.519 19.000 0.033 0.000 0.838 610 A HN 0.580 nan 8.150 nan 0.000 0.444 611 T N -1.391 113.151 114.554 -0.020 0.000 2.759 611 T HA -0.124 4.256 4.350 0.051 0.000 0.269 611 T C 1.732 176.379 174.700 -0.089 0.000 1.042 611 T CA 1.803 63.877 62.100 -0.044 0.000 1.140 611 T CB -0.321 68.516 68.868 -0.053 0.000 0.864 611 T HN 0.211 nan 8.240 nan 0.000 0.455 612 L N -0.882 120.220 121.223 -0.202 0.000 2.202 612 L HA 0.442 4.812 4.340 0.051 0.000 0.205 612 L C 0.979 177.607 176.870 -0.403 0.000 1.083 612 L CA 1.346 55.936 54.840 -0.416 0.000 0.790 612 L CB -0.001 41.604 42.059 -0.756 0.000 0.942 612 L HN 0.348 nan 8.230 nan 0.000 0.452 613 F N -0.676 119.332 119.950 0.096 0.000 2.791 613 F HA 0.205 4.763 4.527 0.051 0.000 0.308 613 F C 0.182 176.072 175.800 0.150 0.000 1.138 613 F CA -0.713 57.365 58.000 0.131 0.000 1.294 613 F CB -0.078 38.989 39.000 0.112 0.000 0.975 613 F HN 0.005 nan 8.300 nan 0.000 0.512 614 D N 0.536 121.064 120.400 0.212 0.000 2.860 614 D HA -0.232 4.438 4.640 0.051 0.000 0.229 614 D C 0.225 176.584 176.300 0.099 0.000 1.169 614 D CA 1.651 55.717 54.000 0.109 0.000 0.737 614 D CB -1.212 39.608 40.800 0.033 0.000 1.080 614 D HN 0.347 nan 8.370 nan 0.000 0.424 615 T N -2.548 112.084 114.554 0.130 0.000 3.230 615 T HA 0.145 4.526 4.350 0.051 0.000 0.390 615 T C -0.199 174.564 174.700 0.105 0.000 1.761 615 T CA -0.616 61.543 62.100 0.098 0.000 1.129 615 T CB 1.115 70.042 68.868 0.097 0.000 1.583 615 T HN -0.035 nan 8.240 nan 0.000 0.480 616 E N 1.346 121.586 120.200 0.066 0.000 2.478 616 E HA -0.030 4.350 4.350 0.051 0.000 0.198 616 E C 1.166 177.800 176.600 0.056 0.000 1.046 616 E CA 0.307 56.742 56.400 0.058 0.000 0.870 616 E CB 0.277 29.994 29.700 0.030 0.000 0.818 616 E HN 0.496 nan 8.360 nan 0.000 0.527 617 E N 0.202 120.438 120.200 0.058 0.000 2.427 617 E HA -0.054 4.327 4.350 0.051 0.000 0.196 617 E C 1.444 178.073 176.600 0.047 0.000 1.028 617 E CA 0.260 56.686 56.400 0.043 0.000 0.864 617 E CB 0.192 29.916 29.700 0.040 0.000 0.813 617 E HN 0.178 nan 8.360 nan 0.000 0.514 618 A N 0.581 123.454 122.820 0.089 0.000 2.259 618 A HA 0.106 4.456 4.320 0.051 0.000 0.208 618 A C 1.104 178.742 177.584 0.090 0.000 1.201 618 A CA -0.058 52.033 52.037 0.090 0.000 0.824 618 A CB -0.345 18.790 19.000 0.225 0.000 0.838 618 A HN 0.150 nan 8.150 nan 0.000 0.485 619 M N 0.117 119.758 119.600 0.069 0.000 2.444 619 M HA 0.622 5.132 4.480 0.051 0.000 0.319 619 M C -1.476 174.825 176.300 0.002 0.000 1.183 619 M CA -0.256 55.075 55.300 0.051 0.000 1.032 619 M CB 0.999 33.627 32.600 0.047 0.000 1.569 619 M HN 0.159 nan 8.290 nan 0.000 0.468 620 I N 3.186 123.745 120.570 -0.019 0.000 2.571 620 I HA 0.358 4.558 4.170 0.051 0.000 0.286 620 I C -0.916 175.137 176.117 -0.107 0.000 1.134 620 I CA -0.565 60.696 61.300 -0.064 0.000 1.052 620 I CB 2.095 40.045 38.000 -0.084 0.000 1.237 620 I HN 0.706 nan 8.210 nan 0.000 0.435 621 R N 6.215 126.650 120.500 -0.107 0.000 2.540 621 R HA 0.692 5.062 4.340 0.051 0.000 0.287 621 R C -1.084 175.089 176.300 -0.211 0.000 0.980 621 R CA -0.575 55.439 56.100 -0.142 0.000 0.966 621 R CB 1.324 31.583 30.300 -0.068 0.000 1.106 621 R HN 0.445 nan 8.270 nan 0.000 0.480 622 I N 3.675 124.049 120.570 -0.328 0.000 2.563 622 I HA 0.086 4.286 4.170 0.051 0.000 0.276 622 I C -0.781 175.239 176.117 -0.162 0.000 1.074 622 I CA -0.698 60.367 61.300 -0.392 0.000 1.124 622 I CB 1.113 38.551 38.000 -0.937 0.000 1.225 622 I HN 0.678 nan 8.210 nan 0.000 0.482 623 D N 5.231 125.672 120.400 0.068 0.000 2.597 623 D HA -0.010 4.660 4.640 0.051 0.000 0.228 623 D C 1.546 177.973 176.300 0.212 0.000 1.120 623 D CA -0.042 54.023 54.000 0.109 0.000 1.083 623 D CB 0.568 41.426 40.800 0.097 0.000 1.116 623 D HN 0.376 nan 8.370 nan 0.000 0.487 624 M N 1.927 121.601 119.600 0.122 0.000 2.153 624 M HA -0.226 4.285 4.480 0.051 0.000 0.253 624 M C 1.938 178.364 176.300 0.210 0.000 1.081 624 M CA 1.792 57.187 55.300 0.158 0.000 1.076 624 M CB -1.179 31.472 32.600 0.085 0.000 1.350 624 M HN 0.299 nan 8.290 nan 0.000 0.401 625 T N -0.206 114.435 114.554 0.145 0.000 3.052 625 T HA -0.166 4.214 4.350 0.051 0.000 0.270 625 T C 1.386 176.157 174.700 0.119 0.000 1.147 625 T CA 1.722 63.893 62.100 0.119 0.000 1.089 625 T CB -0.377 68.537 68.868 0.077 0.000 0.875 625 T HN 0.815 nan 8.240 nan 0.000 0.541 626 E N -1.465 118.825 120.200 0.150 0.000 2.256 626 E HA 0.026 4.406 4.350 0.051 0.000 0.198 626 E C -0.066 176.562 176.600 0.048 0.000 0.908 626 E CA -0.223 56.207 56.400 0.050 0.000 0.915 626 E CB -0.327 29.339 29.700 -0.057 0.000 0.890 626 E HN 0.497 nan 8.360 nan 0.000 0.484 627 Y N 1.737 122.072 120.300 0.059 0.000 2.518 627 Y HA 0.206 4.786 4.550 0.050 0.000 0.337 627 Y C 0.527 176.523 175.900 0.160 0.000 1.261 627 Y CA 0.298 58.450 58.100 0.087 0.000 1.856 627 Y CB -0.118 38.405 38.460 0.105 0.000 1.798 627 Y HN 0.131 nan 8.280 nan 0.000 0.440 628 M N 0.354 120.070 119.600 0.195 0.000 2.412 628 M HA 0.112 4.623 4.480 0.051 0.000 0.315 628 M C 0.814 177.058 176.300 -0.093 0.000 1.092 628 M CA -0.090 55.316 55.300 0.177 0.000 0.974 628 M CB 0.553 33.277 32.600 0.206 0.000 1.437 628 M HN 0.431 nan 8.290 nan 0.000 0.524 629 E N 1.491 121.602 120.200 -0.150 0.000 3.770 629 E HA 0.140 4.520 4.350 0.051 0.000 0.331 629 E C 0.491 176.787 176.600 -0.506 0.000 0.714 629 E CA -0.100 56.139 56.400 -0.269 0.000 1.547 629 E CB -0.496 29.111 29.700 -0.156 0.000 2.420 629 E HN 0.077 nan 8.360 nan 0.000 0.501 630 K N 2.019 122.232 120.400 -0.312 0.000 2.911 630 K HA 0.043 4.394 4.320 0.051 0.000 0.239 630 K C 0.953 177.465 176.600 -0.147 0.000 1.090 630 K CA 0.176 56.294 56.287 -0.281 0.000 1.225 630 K CB -0.983 31.445 32.500 -0.119 0.000 1.087 630 K HN 0.400 nan 8.250 nan 0.000 0.464 631 H N 1.246 120.362 119.070 0.076 0.000 2.314 631 H HA -0.293 4.293 4.556 0.050 0.000 0.288 631 H C 1.955 177.346 175.328 0.105 0.000 1.091 631 H CA 2.028 58.170 56.048 0.157 0.000 1.155 631 H CB -1.323 28.520 29.762 0.133 0.000 1.362 631 H HN 0.324 nan 8.280 nan 0.000 0.530 632 A N 1.051 124.186 122.820 0.524 0.000 1.893 632 A HA -0.288 4.062 4.320 0.051 0.000 0.222 632 A C 2.865 180.534 177.584 0.142 0.000 1.309 632 A CA 3.566 55.740 52.037 0.230 0.000 0.681 632 A CB -1.422 17.705 19.000 0.212 0.000 0.842 632 A HN 0.397 nan 8.150 nan 0.000 0.468 633 V N -0.171 119.815 119.914 0.121 0.000 2.324 633 V HA -0.246 3.904 4.120 0.051 0.000 0.250 633 V C 2.281 178.423 176.094 0.080 0.000 1.060 633 V CA 2.284 64.629 62.300 0.074 0.000 1.042 633 V CB -0.946 30.904 31.823 0.045 0.000 0.650 633 V HN 0.544 nan 8.190 nan 0.000 0.450 634 S N -0.417 115.358 115.700 0.123 0.000 2.803 634 S HA 0.077 4.577 4.470 0.051 0.000 0.226 634 S C 1.189 175.885 174.600 0.160 0.000 0.962 634 S CA 0.527 58.822 58.200 0.158 0.000 0.968 634 S CB -0.362 62.991 63.200 0.256 0.000 0.786 634 S HN 0.621 nan 8.310 nan 0.000 0.527 635 R N 0.419 120.976 120.500 0.094 0.000 2.544 635 R HA 0.377 4.747 4.340 0.051 0.000 0.426 635 R C -0.487 175.835 176.300 0.037 0.000 0.943 635 R CA 0.004 56.136 56.100 0.054 0.000 1.162 635 R CB 0.328 30.639 30.300 0.019 0.000 1.588 635 R HN 0.333 nan 8.270 nan 0.000 0.563 652 L N 2.087 123.323 121.223 0.021 0.000 1.956 652 L HA -0.159 4.212 4.340 0.051 0.000 0.216 652 L C 2.381 179.295 176.870 0.073 0.000 1.073 652 L CA 3.523 58.380 54.840 0.027 0.000 0.762 652 L CB -1.134 40.957 42.059 0.053 0.000 0.889 652 L HN 0.638 nan 8.230 nan 0.000 0.433 653 T N -3.373 111.257 114.554 0.127 0.000 2.714 653 T HA -0.264 4.117 4.350 0.051 0.000 0.268 653 T C 1.781 176.504 174.700 0.038 0.000 1.036 653 T CA 1.626 63.816 62.100 0.150 0.000 1.148 653 T CB -0.686 68.249 68.868 0.111 0.000 0.856 653 T HN 0.474 nan 8.240 nan 0.000 0.462 654 E N 1.607 121.809 120.200 0.005 0.000 2.028 654 E HA 0.019 4.400 4.350 0.051 0.000 0.191 654 E C 2.782 179.357 176.600 -0.042 0.000 0.988 654 E CA 1.368 57.755 56.400 -0.021 0.000 0.799 654 E CB -0.883 28.804 29.700 -0.022 0.000 0.755 654 E HN 0.693 nan 8.360 nan 0.000 0.447 655 A N 1.055 123.847 122.820 -0.047 0.000 1.883 655 A HA -0.177 4.174 4.320 0.051 0.000 0.217 655 A C 2.628 180.138 177.584 -0.123 0.000 1.186 655 A CA 1.867 53.861 52.037 -0.071 0.000 0.624 655 A CB -0.824 18.135 19.000 -0.068 0.000 0.822 655 A HN 0.149 nan 8.150 nan 0.000 0.444 656 V N 0.098 119.906 119.914 -0.176 0.000 2.427 656 V HA -0.208 3.942 4.120 0.051 0.000 0.248 656 V C 2.712 178.652 176.094 -0.258 0.000 1.051 656 V CA 1.983 64.078 62.300 -0.342 0.000 1.048 656 V CB -0.845 30.568 31.823 -0.684 0.000 0.666 656 V HN 0.543 nan 8.190 nan 0.000 0.456 657 R N 1.166 121.581 120.500 -0.143 0.000 2.091 657 R HA -0.178 4.193 4.340 0.051 0.000 0.238 657 R C 2.465 178.722 176.300 -0.072 0.000 1.136 657 R CA 2.199 58.252 56.100 -0.079 0.000 0.959 657 R CB -0.308 29.974 30.300 -0.029 0.000 0.856 657 R HN 0.713 nan 8.270 nan 0.000 0.437 658 R N -0.694 119.762 120.500 -0.073 0.000 2.210 658 R HA 0.095 4.465 4.340 0.051 0.000 0.203 658 R C 0.670 176.926 176.300 -0.073 0.000 1.010 658 R CA 0.392 56.459 56.100 -0.054 0.000 1.008 658 R CB 0.136 30.413 30.300 -0.039 0.000 0.923 658 R HN -0.135 nan 8.270 nan 0.000 0.469 659 R N 1.027 121.456 120.500 -0.118 0.000 2.547 659 R HA 0.278 4.649 4.340 0.051 0.000 0.280 659 R C -2.328 173.833 176.300 -0.232 0.000 1.630 659 R CA -1.982 54.032 56.100 -0.143 0.000 1.470 659 R CB 1.397 31.621 30.300 -0.126 0.000 1.178 659 R HN -0.020 nan 8.270 nan 0.000 0.591 660 P HA -0.172 nan 4.420 nan 0.000 0.214 660 P C -0.468 176.513 177.300 -0.532 0.000 1.163 660 P CA 1.263 64.132 63.100 -0.384 0.000 0.889 660 P CB 0.121 31.601 31.700 -0.366 0.000 0.790 661 Y N 0.543 120.510 120.300 -0.554 0.000 2.613 661 Y HA 0.343 4.923 4.550 0.050 0.000 0.354 661 Y C 0.896 176.102 175.900 -1.158 0.000 1.063 661 Y CA -0.003 57.532 58.100 -0.943 0.000 1.384 661 Y CB -0.545 37.292 38.460 -1.037 0.000 1.199 661 Y HN -0.031 nan 8.280 nan 0.000 0.517 662 S N 0.150 115.404 115.700 -0.743 0.000 2.588 662 S HA 0.711 5.211 4.470 0.051 0.000 0.269 662 S C -1.423 173.215 174.600 0.064 0.000 1.157 662 S CA -1.132 56.878 58.200 -0.317 0.000 0.824 662 S CB 1.127 64.204 63.200 -0.206 0.000 1.126 662 S HN 0.113 nan 8.310 nan 0.000 0.464 663 V N 1.834 121.874 119.914 0.210 0.000 2.394 663 V HA 0.492 4.642 4.120 0.051 0.000 0.282 663 V C -0.519 175.642 176.094 0.112 0.000 1.031 663 V CA -0.524 61.908 62.300 0.219 0.000 0.881 663 V CB 0.890 32.849 31.823 0.226 0.000 0.982 663 V HN 0.790 nan 8.190 nan 0.000 0.451 664 I N 5.996 126.645 120.570 0.133 0.000 2.355 664 I HA 0.369 4.570 4.170 0.051 0.000 0.288 664 I C -0.738 175.473 176.117 0.156 0.000 0.999 664 I CA -0.609 60.756 61.300 0.107 0.000 1.163 664 I CB 1.618 39.748 38.000 0.217 0.000 1.316 664 I HN 0.378 nan 8.210 nan 0.000 0.454 665 L N 7.796 129.026 121.223 0.012 0.000 2.265 665 L HA 0.530 4.901 4.340 0.051 0.000 0.289 665 L C -1.271 175.568 176.870 -0.051 0.000 1.033 665 L CA 0.079 54.941 54.840 0.037 0.000 0.814 665 L CB 0.547 42.603 42.059 -0.005 0.000 1.203 665 L HN 0.226 nan 8.230 nan 0.000 0.423 666 F N 3.380 123.290 119.950 -0.067 0.000 2.361 666 F HA 0.392 4.949 4.527 0.050 0.000 0.364 666 F C 0.456 176.224 175.800 -0.053 0.000 1.117 666 F CA -0.755 57.200 58.000 -0.075 0.000 1.071 666 F CB 0.752 39.691 39.000 -0.103 0.000 1.188 666 F HN 0.432 nan 8.300 nan 0.000 0.464 667 D N 2.954 123.406 120.400 0.087 0.000 2.339 667 D HA 0.089 4.759 4.640 0.051 0.000 0.245 667 D C 0.139 176.492 176.300 0.089 0.000 1.115 667 D CA 0.094 54.135 54.000 0.069 0.000 0.917 667 D CB 0.573 41.396 40.800 0.039 0.000 1.192 667 D HN 0.381 nan 8.370 nan 0.000 0.428 668 E N 0.966 121.216 120.200 0.084 0.000 2.216 668 E HA -0.235 4.146 4.350 0.051 0.000 0.162 668 E C 0.905 177.571 176.600 0.112 0.000 1.642 668 E CA 0.095 56.552 56.400 0.095 0.000 0.599 668 E CB -0.842 28.904 29.700 0.077 0.000 1.045 668 E HN 0.398 nan 8.360 nan 0.000 0.308 669 I N 2.118 122.773 120.570 0.141 0.000 2.493 669 I HA -0.249 3.951 4.170 0.051 0.000 0.254 669 I C 2.378 178.648 176.117 0.256 0.000 1.160 669 I CA 1.697 63.073 61.300 0.127 0.000 1.445 669 I CB 0.029 38.089 38.000 0.100 0.000 1.086 669 I HN 0.342 nan 8.210 nan 0.000 0.433 670 E N 0.335 120.731 120.200 0.328 0.000 2.153 670 E HA -0.241 4.139 4.350 0.051 0.000 0.194 670 E C 1.575 178.246 176.600 0.119 0.000 0.988 670 E CA 1.040 57.589 56.400 0.248 0.000 0.811 670 E CB -0.681 29.053 29.700 0.056 0.000 0.746 670 E HN 0.349 nan 8.360 nan 0.000 0.466 671 K N 1.129 121.575 120.400 0.077 0.000 2.362 671 K HA 0.147 4.497 4.320 0.051 0.000 0.200 671 K C 0.936 177.522 176.600 -0.023 0.000 1.046 671 K CA 0.708 57.008 56.287 0.021 0.000 0.952 671 K CB -0.403 32.131 32.500 0.057 0.000 0.753 671 K HN 0.252 nan 8.250 nan 0.000 0.466 672 A N 1.281 124.100 122.820 -0.001 0.000 2.386 672 A HA 0.198 4.548 4.320 0.051 0.000 0.248 672 A C -0.604 176.959 177.584 -0.034 0.000 1.082 672 A CA -0.123 51.889 52.037 -0.041 0.000 0.789 672 A CB -0.028 18.786 19.000 -0.309 0.000 1.025 672 A HN 0.275 nan 8.150 nan 0.000 0.490 673 H N 1.540 120.625 119.070 0.026 0.000 2.472 673 H HA 0.334 4.921 4.556 0.051 0.000 0.335 673 H C -1.742 173.643 175.328 0.094 0.000 1.136 673 H CA -1.497 54.604 56.048 0.089 0.000 1.264 673 H CB 0.612 30.455 29.762 0.134 0.000 1.486 673 H HN 0.379 nan 8.280 nan 0.000 0.517 674 P HA -0.357 nan 4.420 nan 0.000 0.222 674 P C 1.432 178.815 177.300 0.138 0.000 1.154 674 P CA 1.922 65.160 63.100 0.230 0.000 0.874 674 P CB 0.310 32.069 31.700 0.098 0.000 0.787 675 D N -0.626 119.789 120.400 0.024 0.000 2.106 675 D HA -0.155 4.516 4.640 0.051 0.000 0.191 675 D C 1.776 177.981 176.300 -0.158 0.000 0.997 675 D CA 1.575 55.525 54.000 -0.083 0.000 0.834 675 D CB -0.468 40.236 40.800 -0.160 0.000 0.956 675 D HN -0.025 nan 8.370 nan 0.000 0.448 676 V N 0.381 120.109 119.914 -0.309 0.000 2.295 676 V HA -0.247 3.903 4.120 0.051 0.000 0.246 676 V C 2.504 178.444 176.094 -0.257 0.000 1.049 676 V CA 1.616 63.735 62.300 -0.301 0.000 1.024 676 V CB -0.936 30.659 31.823 -0.381 0.000 0.648 676 V HN 0.122 nan 8.190 nan 0.000 0.447 677 F N 1.023 120.861 119.950 -0.186 0.000 2.184 677 F HA -0.244 4.313 4.527 0.051 0.000 0.301 677 F C 2.195 177.901 175.800 -0.156 0.000 1.076 677 F CA 2.147 60.013 58.000 -0.224 0.000 1.295 677 F CB -0.860 38.000 39.000 -0.232 0.000 1.026 677 F HN 0.229 nan 8.300 nan 0.000 0.494 678 N N 0.184 118.911 118.700 0.046 0.000 2.080 678 N HA -0.142 4.628 4.740 0.051 0.000 0.189 678 N C 1.731 177.215 175.510 -0.043 0.000 1.036 678 N CA 1.389 54.445 53.050 0.010 0.000 0.846 678 N CB -0.434 38.055 38.487 0.004 0.000 1.015 678 N HN 0.033 nan 8.380 nan 0.000 0.423 679 I N 0.264 120.788 120.570 -0.076 0.000 2.208 679 I HA -0.194 4.006 4.170 0.051 0.000 0.245 679 I C 2.056 178.083 176.117 -0.150 0.000 1.097 679 I CA 0.717 61.954 61.300 -0.105 0.000 1.363 679 I CB -0.638 37.309 38.000 -0.089 0.000 1.051 679 I HN 0.153 nan 8.210 nan 0.000 0.413 680 L N -0.109 121.011 121.223 -0.172 0.000 1.976 680 L HA -0.190 4.181 4.340 0.051 0.000 0.209 680 L C 2.320 179.120 176.870 -0.118 0.000 1.071 680 L CA 1.726 56.428 54.840 -0.231 0.000 0.746 680 L CB -0.823 41.013 42.059 -0.372 0.000 0.890 680 L HN 0.179 nan 8.230 nan 0.000 0.432 681 L N -0.414 120.801 121.223 -0.014 0.000 2.129 681 L HA -0.277 4.093 4.340 0.051 0.000 0.212 681 L C 2.573 179.427 176.870 -0.025 0.000 1.087 681 L CA 2.022 56.896 54.840 0.057 0.000 0.757 681 L CB -0.714 41.404 42.059 0.099 0.000 0.896 681 L HN 0.578 nan 8.230 nan 0.000 0.434 682 Q N -1.251 118.505 119.800 -0.074 0.000 2.230 682 Q HA -0.157 4.213 4.340 0.051 0.000 0.202 682 Q C 1.983 177.883 176.000 -0.167 0.000 0.963 682 Q CA 0.984 56.724 55.803 -0.104 0.000 0.866 682 Q CB 0.130 28.800 28.738 -0.114 0.000 0.931 682 Q HN 0.504 nan 8.270 nan 0.000 0.452 683 I N 0.341 120.776 120.570 -0.225 0.000 2.277 683 I HA -0.212 3.988 4.170 0.051 0.000 0.243 683 I C 2.075 178.104 176.117 -0.148 0.000 1.094 683 I CA 0.858 61.975 61.300 -0.305 0.000 1.393 683 I CB -0.953 36.831 38.000 -0.360 0.000 1.078 683 I HN 0.269 nan 8.210 nan 0.000 0.417 684 L N 0.242 121.401 121.223 -0.107 0.000 2.127 684 L HA -0.144 4.226 4.340 0.051 0.000 0.211 684 L C 0.740 177.568 176.870 -0.071 0.000 1.089 684 L CA 1.434 56.223 54.840 -0.085 0.000 0.757 684 L CB -0.530 41.481 42.059 -0.080 0.000 0.899 684 L HN 0.197 nan 8.230 nan 0.000 0.434 685 D N -0.415 119.948 120.400 -0.062 0.000 2.268 685 D HA 0.087 4.758 4.640 0.051 0.000 0.249 685 D C 0.483 176.751 176.300 -0.053 0.000 1.008 685 D CA 0.233 54.204 54.000 -0.049 0.000 0.939 685 D CB 1.066 41.844 40.800 -0.036 0.000 1.170 685 D HN 0.175 nan 8.370 nan 0.000 0.468 686 D N 0.089 120.465 120.400 -0.039 0.000 3.043 686 D HA -0.272 4.399 4.640 0.051 0.000 0.215 686 D C 1.005 177.287 176.300 -0.029 0.000 1.165 686 D CA 1.217 55.196 54.000 -0.034 0.000 0.953 686 D CB -1.641 39.137 40.800 -0.037 0.000 1.115 686 D HN 0.825 nan 8.370 nan 0.000 0.392 687 G N 0.796 109.575 108.800 -0.035 0.000 2.416 687 G HA2 -0.350 3.641 3.960 0.051 0.000 0.301 687 G HA3 -0.350 3.641 3.960 0.051 0.000 0.301 687 G C 0.257 175.174 174.900 0.029 0.000 0.985 687 G CA 1.202 46.303 45.100 0.001 0.000 0.934 687 G HN 0.758 nan 8.290 nan 0.000 0.513 688 R N -2.036 118.428 120.500 -0.060 0.000 2.817 688 R HA 0.829 5.200 4.340 0.051 0.000 0.268 688 R C -1.438 174.748 176.300 -0.190 0.000 1.027 688 R CA -1.083 54.995 56.100 -0.037 0.000 0.928 688 R CB 1.576 31.874 30.300 -0.003 0.000 1.228 688 R HN 0.238 nan 8.270 nan 0.000 0.469 689 L N -0.023 121.124 121.223 -0.127 0.000 2.526 689 L HA 0.364 4.734 4.340 0.051 0.000 0.263 689 L C -1.260 175.588 176.870 -0.037 0.000 0.943 689 L CA -0.024 54.716 54.840 -0.167 0.000 0.859 689 L CB 2.620 44.463 42.059 -0.359 0.000 1.313 689 L HN 0.563 nan 8.230 nan 0.000 0.406 690 T N 3.739 118.272 114.554 -0.035 0.000 2.728 690 T HA 0.363 4.743 4.350 0.051 0.000 0.296 690 T C -0.207 174.499 174.700 0.010 0.000 0.940 690 T CA -0.472 61.629 62.100 0.000 0.000 1.013 690 T CB 0.287 69.155 68.868 -0.001 0.000 0.912 690 T HN 0.660 nan 8.240 nan 0.000 0.484 691 D N 2.170 122.587 120.400 0.029 0.000 2.440 691 D HA 0.126 4.797 4.640 0.051 0.000 0.269 691 D C 1.526 177.845 176.300 0.031 0.000 1.249 691 D CA -0.540 53.471 54.000 0.020 0.000 1.055 691 D CB 0.299 41.099 40.800 0.000 0.000 1.104 691 D HN 0.331 nan 8.370 nan 0.000 0.561 692 S N -1.189 114.518 115.700 0.012 0.000 2.349 692 S HA -0.223 4.277 4.470 0.051 0.000 0.216 692 S C 1.880 176.572 174.600 0.153 0.000 1.033 692 S CA 1.467 59.702 58.200 0.058 0.000 1.021 692 S CB -0.851 62.369 63.200 0.035 0.000 0.968 692 S HN 0.513 nan 8.310 nan 0.000 0.426 693 H N -0.315 118.779 119.070 0.039 0.000 2.321 693 H HA -0.031 4.556 4.556 0.052 0.000 0.295 693 H C 1.878 177.238 175.328 0.053 0.000 1.102 693 H CA 0.770 56.845 56.048 0.044 0.000 1.266 693 H CB -0.150 29.640 29.762 0.046 0.000 1.363 693 H HN 0.638 nan 8.280 nan 0.000 0.492 694 G N 0.017 108.929 108.800 0.187 0.000 3.898 694 G HA2 -0.212 3.778 3.960 0.051 0.000 0.196 694 G HA3 -0.212 3.778 3.960 0.051 0.000 0.196 694 G C -0.216 174.747 174.900 0.106 0.000 1.322 694 G CA -0.223 44.953 45.100 0.128 0.000 0.942 694 G HN 0.277 nan 8.290 nan 0.000 0.400 695 R N 3.262 123.840 120.500 0.130 0.000 2.638 695 R HA 0.181 4.551 4.340 0.051 0.000 0.351 695 R C 0.375 176.720 176.300 0.075 0.000 0.871 695 R CA 0.954 57.116 56.100 0.105 0.000 1.091 695 R CB -1.653 28.720 30.300 0.121 0.000 0.900 695 R HN 0.793 nan 8.270 nan 0.000 0.405 696 T N -0.191 114.394 114.554 0.051 0.000 2.932 696 T HA 0.256 4.636 4.350 0.051 0.000 0.312 696 T C 0.580 175.327 174.700 0.078 0.000 1.071 696 T CA -0.750 61.380 62.100 0.050 0.000 1.128 696 T CB 1.012 69.892 68.868 0.020 0.000 0.984 696 T HN 0.372 nan 8.240 nan 0.000 0.549 697 V N 2.031 122.023 119.914 0.130 0.000 2.612 697 V HA 0.405 4.555 4.120 0.051 0.000 0.301 697 V C 0.190 176.435 176.094 0.252 0.000 1.046 697 V CA -0.950 61.456 62.300 0.176 0.000 0.946 697 V CB 1.612 33.595 31.823 0.266 0.000 1.003 697 V HN 1.019 nan 8.190 nan 0.000 0.459 698 D N 1.304 121.786 120.400 0.137 0.000 2.249 698 D HA 0.400 5.070 4.640 0.051 0.000 0.246 698 D C -0.193 176.161 176.300 0.090 0.000 1.114 698 D CA -0.064 54.012 54.000 0.127 0.000 0.854 698 D CB 0.933 41.745 40.800 0.020 0.000 1.132 698 D HN 0.353 nan 8.370 nan 0.000 0.461 699 F N 1.918 121.826 119.950 -0.070 0.000 2.682 699 F HA 0.287 4.844 4.527 0.050 0.000 0.308 699 F C 1.932 177.680 175.800 -0.086 0.000 1.093 699 F CA -0.285 57.670 58.000 -0.075 0.000 1.244 699 F CB 0.192 39.167 39.000 -0.042 0.000 1.052 699 F HN 0.332 nan 8.300 nan 0.000 0.573 700 R N 0.000 120.532 120.500 0.053 0.000 2.200 700 R HA -0.098 4.272 4.340 0.051 0.000 0.234 700 R C 0.773 177.032 176.300 -0.070 0.000 1.127 700 R CA 0.951 57.050 56.100 -0.000 0.000 0.989 700 R CB -0.233 30.061 30.300 -0.009 0.000 0.869 700 R HN 0.127 nan 8.270 nan 0.000 0.459 701 N N 0.566 119.142 118.700 -0.206 0.000 2.251 701 N HA -0.004 4.767 4.740 0.051 0.000 0.217 701 N C -0.322 175.042 175.510 -0.243 0.000 1.124 701 N CA 0.273 53.105 53.050 -0.363 0.000 0.843 701 N CB 0.954 38.831 38.487 -1.017 0.000 1.024 701 N HN 0.224 nan 8.380 nan 0.000 0.501 702 T N -2.844 111.657 114.554 -0.088 0.000 2.940 702 T HA 0.602 4.982 4.350 0.051 0.000 0.288 702 T C -0.137 174.656 174.700 0.155 0.000 1.033 702 T CA -0.624 61.480 62.100 0.008 0.000 1.033 702 T CB 2.178 71.013 68.868 -0.056 0.000 1.079 702 T HN -0.267 nan 8.240 nan 0.000 0.496 703 V N 2.840 122.894 119.914 0.235 0.000 2.417 703 V HA 0.447 4.597 4.120 0.051 0.000 0.291 703 V C -0.518 175.710 176.094 0.224 0.000 1.024 703 V CA -0.986 61.467 62.300 0.255 0.000 0.861 703 V CB 1.370 33.385 31.823 0.320 0.000 0.985 703 V HN 0.782 nan 8.190 nan 0.000 0.436 704 I N 6.407 127.081 120.570 0.172 0.000 2.328 704 I HA 0.466 4.667 4.170 0.051 0.000 0.287 704 I C -0.100 176.088 176.117 0.119 0.000 1.012 704 I CA -0.244 61.141 61.300 0.141 0.000 1.195 704 I CB 1.252 39.276 38.000 0.041 0.000 1.350 704 I HN 0.419 nan 8.210 nan 0.000 0.464 705 I N 7.111 127.735 120.570 0.091 0.000 2.404 705 I HA 0.440 4.640 4.170 0.051 0.000 0.293 705 I C -0.457 175.599 176.117 -0.102 0.000 0.992 705 I CA -0.618 60.599 61.300 -0.139 0.000 1.149 705 I CB 1.846 39.612 38.000 -0.388 0.000 1.315 705 I HN 0.272 nan 8.210 nan 0.000 0.446 706 L N 5.750 126.875 121.223 -0.164 0.000 2.385 706 L HA 0.544 4.915 4.340 0.051 0.000 0.273 706 L C 0.052 176.911 176.870 -0.019 0.000 0.990 706 L CA -0.579 54.238 54.840 -0.037 0.000 0.821 706 L CB 2.152 44.204 42.059 -0.011 0.000 1.279 706 L HN 0.596 nan 8.230 nan 0.000 0.412 707 T N -0.879 113.703 114.554 0.047 0.000 2.945 707 T HA 0.777 5.157 4.350 0.051 0.000 0.286 707 T C -0.330 174.448 174.700 0.130 0.000 1.025 707 T CA -0.760 61.402 62.100 0.103 0.000 1.039 707 T CB 2.175 71.088 68.868 0.075 0.000 1.068 707 T HN 0.546 nan 8.240 nan 0.000 0.497 708 S N -0.297 115.491 115.700 0.148 0.000 2.578 708 S HA 0.370 4.870 4.470 0.051 0.000 0.272 708 S C -0.569 174.108 174.600 0.128 0.000 1.145 708 S CA -0.851 57.443 58.200 0.157 0.000 0.835 708 S CB 0.912 64.255 63.200 0.237 0.000 1.104 708 S HN 0.865 nan 8.310 nan 0.000 0.458 709 N N 2.070 120.829 118.700 0.097 0.000 2.205 709 N HA 0.228 4.998 4.740 0.051 0.000 0.201 709 N C 1.456 176.995 175.510 0.048 0.000 1.128 709 N CA -0.042 53.049 53.050 0.070 0.000 0.867 709 N CB 0.150 38.668 38.487 0.051 0.000 0.996 709 N HN 0.415 nan 8.380 nan 0.000 0.503 710 L N 0.723 121.969 121.223 0.039 0.000 2.064 710 L HA -0.211 4.159 4.340 0.051 0.000 0.216 710 L C 2.218 179.089 176.870 0.001 0.000 1.077 710 L CA 1.675 56.491 54.840 -0.040 0.000 0.766 710 L CB -0.371 41.650 42.059 -0.063 0.000 0.890 710 L HN 0.356 nan 8.230 nan 0.000 0.435 711 G N -2.648 106.192 108.800 0.067 0.000 3.126 711 G HA2 -0.055 3.935 3.960 0.051 0.000 0.224 711 G HA3 -0.055 3.935 3.960 0.051 0.000 0.224 711 G C 1.452 176.397 174.900 0.075 0.000 1.142 711 G CA 0.532 45.679 45.100 0.079 0.000 0.759 711 G HN 0.287 nan 8.290 nan 0.000 0.550 712 S N 2.098 117.841 115.700 0.071 0.000 2.389 712 S HA -0.146 4.355 4.470 0.051 0.000 0.229 712 S C 0.985 175.608 174.600 0.037 0.000 1.048 712 S CA 2.158 60.396 58.200 0.063 0.000 1.117 712 S CB -0.712 62.523 63.200 0.058 0.000 1.020 712 S HN 0.328 nan 8.310 nan 0.000 0.430 713 P HA -0.140 nan 4.420 nan 0.000 0.214 713 P C 1.863 179.155 177.300 -0.012 0.000 1.169 713 P CA 1.212 64.315 63.100 0.005 0.000 0.908 713 P CB -0.348 31.359 31.700 0.012 0.000 0.791 714 L N -0.380 120.851 121.223 0.013 0.000 2.042 714 L HA -0.142 4.229 4.340 0.051 0.000 0.210 714 L C 2.694 179.539 176.870 -0.041 0.000 1.076 714 L CA 1.629 56.476 54.840 0.012 0.000 0.749 714 L CB -1.332 40.782 42.059 0.091 0.000 0.893 714 L HN -0.158 nan 8.230 nan 0.000 0.432 715 I N -1.221 119.355 120.570 0.011 0.000 2.163 715 I HA -0.359 3.841 4.170 0.051 0.000 0.243 715 I C 2.426 178.514 176.117 -0.049 0.000 1.085 715 I CA 1.532 62.843 61.300 0.017 0.000 1.347 715 I CB -0.424 37.622 38.000 0.077 0.000 1.044 715 I HN 0.284 nan 8.210 nan 0.000 0.408 716 L N 0.420 121.615 121.223 -0.047 0.000 1.994 716 L HA -0.257 4.113 4.340 0.051 0.000 0.208 716 L C 2.700 179.465 176.870 -0.175 0.000 1.071 716 L CA 1.755 56.553 54.840 -0.070 0.000 0.745 716 L CB -0.720 41.316 42.059 -0.038 0.000 0.892 716 L HN 0.322 nan 8.230 nan 0.000 0.431 717 E N 0.340 120.402 120.200 -0.230 0.000 2.114 717 E HA -0.254 4.127 4.350 0.051 0.000 0.199 717 E C 2.079 178.212 176.600 -0.778 0.000 1.008 717 E CA 1.508 57.672 56.400 -0.393 0.000 0.810 717 E CB -0.278 29.213 29.700 -0.349 0.000 0.739 717 E HN 0.497 nan 8.360 nan 0.000 0.456 718 G N 0.584 108.865 108.800 -0.865 0.000 2.470 718 G HA2 -0.184 3.806 3.960 0.051 0.000 0.220 718 G HA3 -0.184 3.806 3.960 0.051 0.000 0.220 718 G C 1.503 176.096 174.900 -0.511 0.000 1.121 718 G CA 0.647 45.117 45.100 -1.051 0.000 0.766 718 G HN 0.229 nan 8.290 nan 0.000 0.553 719 L N -0.901 120.145 121.223 -0.295 0.000 2.249 719 L HA 0.077 4.447 4.340 0.051 0.000 0.207 719 L C 2.991 179.777 176.870 -0.140 0.000 1.090 719 L CA 0.485 55.244 54.840 -0.135 0.000 0.802 719 L CB -0.241 41.782 42.059 -0.059 0.000 0.947 719 L HN 0.118 nan 8.230 nan 0.000 0.453 720 Q N 0.687 120.372 119.800 -0.192 0.000 1.965 720 Q HA -0.136 4.234 4.340 0.051 0.000 0.200 720 Q C 1.865 177.791 176.000 -0.123 0.000 0.981 720 Q CA 1.437 57.161 55.803 -0.131 0.000 0.834 720 Q CB -0.101 28.562 28.738 -0.126 0.000 0.900 720 Q HN 0.238 nan 8.270 nan 0.000 0.426 721 K N 0.025 120.288 120.400 -0.228 0.000 2.616 721 K HA 0.036 4.386 4.320 0.051 0.000 0.192 721 K C 0.418 177.047 176.600 0.048 0.000 1.031 721 K CA 0.485 56.727 56.287 -0.075 0.000 1.004 721 K CB -0.326 32.165 32.500 -0.015 0.000 0.810 721 K HN 0.434 nan 8.250 nan 0.000 0.497 722 G N 1.893 110.671 108.800 -0.038 0.000 2.390 722 G HA2 -0.203 3.788 3.960 0.051 0.000 0.299 722 G HA3 -0.203 3.788 3.960 0.051 0.000 0.299 722 G C -0.452 174.585 174.900 0.227 0.000 1.002 722 G CA -0.136 45.007 45.100 0.071 0.000 0.979 722 G HN 0.229 nan 8.290 nan 0.000 0.513 723 W N -0.772 120.552 121.300 0.041 0.000 2.190 723 W HA 0.464 5.154 4.660 0.050 0.000 0.330 723 W C -1.557 174.993 176.519 0.051 0.000 1.299 723 W CA -2.883 54.485 57.345 0.037 0.000 1.215 723 W CB -0.720 28.758 29.460 0.030 0.000 1.147 723 W HN 0.077 nan 8.180 nan 0.000 0.563 724 P HA -0.163 nan 4.420 nan 0.000 0.265 724 P C 0.819 178.247 177.300 0.214 0.000 1.187 724 P CA 0.290 63.503 63.100 0.188 0.000 0.766 724 P CB 0.336 32.104 31.700 0.112 0.000 0.820 725 Y N 3.711 124.072 120.300 0.100 0.000 2.114 725 Y HA -0.312 4.268 4.550 0.050 0.000 0.282 725 Y C 2.244 178.201 175.900 0.095 0.000 1.165 725 Y CA 2.298 60.452 58.100 0.091 0.000 1.148 725 Y CB -0.503 37.989 38.460 0.054 0.000 0.972 725 Y HN 0.381 nan 8.280 nan 0.000 0.504 726 E N 0.373 120.530 120.200 -0.071 0.000 2.118 726 E HA -0.229 4.152 4.350 0.051 0.000 0.195 726 E C 2.348 178.873 176.600 -0.125 0.000 0.992 726 E CA 1.439 57.744 56.400 -0.158 0.000 0.804 726 E CB -0.385 29.302 29.700 -0.022 0.000 0.741 726 E HN 0.246 nan 8.360 nan 0.000 0.458 727 R N 0.156 120.639 120.500 -0.028 0.000 2.120 727 R HA -0.049 4.321 4.340 0.051 0.000 0.234 727 R C 2.312 178.659 176.300 0.079 0.000 1.123 727 R CA 1.184 57.286 56.100 0.004 0.000 0.975 727 R CB -0.411 29.892 30.300 0.004 0.000 0.866 727 R HN 0.366 nan 8.270 nan 0.000 0.446 728 I N -0.439 120.190 120.570 0.097 0.000 2.193 728 I HA -0.234 3.966 4.170 0.051 0.000 0.240 728 I C 2.719 178.838 176.117 0.004 0.000 1.084 728 I CA 0.931 62.314 61.300 0.138 0.000 1.365 728 I CB -0.373 37.686 38.000 0.099 0.000 1.064 728 I HN 0.114 nan 8.210 nan 0.000 0.410 729 R N 1.014 121.375 120.500 -0.232 0.000 2.096 729 R HA -0.227 4.143 4.340 0.051 0.000 0.240 729 R C 1.930 178.234 176.300 0.006 0.000 1.139 729 R CA 2.253 58.242 56.100 -0.184 0.000 0.952 729 R CB -0.178 29.865 30.300 -0.428 0.000 0.854 729 R HN 0.325 nan 8.270 nan 0.000 0.436 730 D N -0.227 120.162 120.400 -0.019 0.000 2.097 730 D HA -0.159 4.512 4.640 0.051 0.000 0.195 730 D C 1.784 178.161 176.300 0.129 0.000 0.989 730 D CA 1.155 55.187 54.000 0.052 0.000 0.827 730 D CB -0.225 40.573 40.800 -0.003 0.000 0.966 730 D HN 0.226 nan 8.370 nan 0.000 0.456 731 E N 0.331 120.596 120.200 0.109 0.000 2.077 731 E HA -0.113 4.268 4.350 0.051 0.000 0.193 731 E C 2.057 178.753 176.600 0.160 0.000 0.989 731 E CA 0.540 57.024 56.400 0.139 0.000 0.800 731 E CB -0.123 29.698 29.700 0.202 0.000 0.746 731 E HN 0.018 nan 8.360 nan 0.000 0.452 732 V N 0.321 120.335 119.914 0.166 0.000 2.427 732 V HA -0.181 3.969 4.120 0.051 0.000 0.248 732 V C 1.994 178.196 176.094 0.181 0.000 1.051 732 V CA 1.681 64.077 62.300 0.160 0.000 1.048 732 V CB -0.562 31.353 31.823 0.154 0.000 0.666 732 V HN 0.307 nan 8.190 nan 0.000 0.456 733 F N 1.306 121.301 119.950 0.075 0.000 2.126 733 F HA -0.193 4.364 4.527 0.050 0.000 0.299 733 F C 2.363 178.222 175.800 0.097 0.000 1.096 733 F CA 1.799 59.850 58.000 0.086 0.000 1.255 733 F CB -0.271 38.761 39.000 0.053 0.000 0.997 733 F HN 0.044 nan 8.300 nan 0.000 0.479 734 K N -0.181 120.322 120.400 0.172 0.000 2.034 734 K HA -0.216 4.134 4.320 0.051 0.000 0.214 734 K C 1.974 178.579 176.600 0.008 0.000 1.051 734 K CA 2.032 58.368 56.287 0.081 0.000 0.931 734 K CB -0.933 31.629 32.500 0.104 0.000 0.715 734 K HN 0.191 nan 8.250 nan 0.000 0.446 735 V N 2.207 122.149 119.914 0.047 0.000 2.252 735 V HA -0.282 3.868 4.120 0.051 0.000 0.249 735 V C 2.350 178.484 176.094 0.066 0.000 1.056 735 V CA 1.821 64.162 62.300 0.069 0.000 1.022 735 V CB -0.589 31.274 31.823 0.066 0.000 0.641 735 V HN 0.298 nan 8.190 nan 0.000 0.445 736 L N -0.413 120.811 121.223 0.000 0.000 2.043 736 L HA -0.302 4.068 4.340 0.051 0.000 0.212 736 L C 2.650 179.508 176.870 -0.019 0.000 1.075 736 L CA 1.823 56.697 54.840 0.057 0.000 0.752 736 L CB -0.724 41.306 42.059 -0.049 0.000 0.891 736 L HN 0.429 nan 8.230 nan 0.000 0.432 737 Q N -0.454 119.215 119.800 -0.219 0.000 2.508 737 Q HA -0.211 4.160 4.340 0.051 0.000 0.214 737 Q C 1.739 177.680 176.000 -0.098 0.000 0.979 737 Q CA 0.878 56.578 55.803 -0.171 0.000 0.911 737 Q CB -0.030 28.614 28.738 -0.157 0.000 0.969 737 Q HN 0.643 nan 8.270 nan 0.000 0.504 738 Q N -1.371 118.385 119.800 -0.073 0.000 2.352 738 Q HA 0.007 4.377 4.340 0.051 0.000 0.212 738 Q C 0.389 176.117 176.000 -0.453 0.000 0.888 738 Q CA 0.463 56.150 55.803 -0.195 0.000 0.934 738 Q CB 0.637 29.275 28.738 -0.166 0.000 1.093 738 Q HN 0.501 nan 8.270 nan 0.000 0.523 739 H N -2.003 116.814 119.070 -0.423 0.000 3.360 739 H HA 0.225 4.812 4.556 0.050 0.000 0.262 739 H C -0.900 173.826 175.328 -1.003 0.000 1.149 739 H CA -0.032 55.586 56.048 -0.717 0.000 1.181 739 H CB 0.758 29.968 29.762 -0.920 0.000 1.564 739 H HN -0.055 nan 8.280 nan 0.000 0.565 740 F N 1.027 120.899 119.950 -0.130 0.000 2.529 740 F HA 0.450 5.007 4.527 0.051 0.000 0.320 740 F C 0.186 175.889 175.800 -0.161 0.000 1.118 740 F CA -1.320 56.542 58.000 -0.231 0.000 0.915 740 F CB 1.358 40.372 39.000 0.022 0.000 1.161 740 F HN -0.231 nan 8.300 nan 0.000 0.445 741 R N 4.149 124.634 120.500 -0.025 0.000 2.522 741 R HA 0.099 4.469 4.340 0.051 0.000 0.284 741 R C -1.613 174.760 176.300 0.123 0.000 1.032 741 R CA -1.095 55.007 56.100 0.004 0.000 1.049 741 R CB 0.227 30.507 30.300 -0.034 0.000 0.956 741 R HN 0.362 nan 8.270 nan 0.000 0.422 742 P HA -0.214 nan 4.420 nan 0.000 0.216 742 P C 0.179 177.540 177.300 0.101 0.000 1.150 742 P CA 1.469 64.630 63.100 0.102 0.000 0.843 742 P CB 0.300 32.047 31.700 0.078 0.000 0.787 743 E N -0.520 119.732 120.200 0.087 0.000 2.114 743 E HA -0.203 4.177 4.350 0.051 0.000 0.199 743 E C 1.898 178.557 176.600 0.099 0.000 1.008 743 E CA 1.143 57.587 56.400 0.074 0.000 0.810 743 E CB -1.258 28.481 29.700 0.066 0.000 0.739 743 E HN 0.290 nan 8.360 nan 0.000 0.456 744 F N 0.958 120.902 119.950 -0.009 0.000 2.039 744 F HA -0.084 4.473 4.527 0.050 0.000 0.294 744 F C 1.853 177.634 175.800 -0.031 0.000 1.130 744 F CA 1.354 59.342 58.000 -0.021 0.000 1.189 744 F CB -0.435 38.560 39.000 -0.009 0.000 0.983 744 F HN -0.080 nan 8.300 nan 0.000 0.471 745 L N 0.422 121.579 121.223 -0.111 0.000 2.129 745 L HA -0.292 4.078 4.340 0.051 0.000 0.212 745 L C 1.983 178.798 176.870 -0.093 0.000 1.087 745 L CA 1.914 56.654 54.840 -0.168 0.000 0.757 745 L CB -0.950 41.160 42.059 0.085 0.000 0.896 745 L HN 0.350 nan 8.230 nan 0.000 0.434 746 N N -0.621 118.058 118.700 -0.034 0.000 2.300 746 N HA -0.074 4.697 4.740 0.051 0.000 0.179 746 N C 1.357 176.815 175.510 -0.086 0.000 1.016 746 N CA 0.225 53.261 53.050 -0.022 0.000 0.876 746 N CB 0.160 38.656 38.487 0.014 0.000 0.979 746 N HN 0.195 nan 8.380 nan 0.000 0.432 747 R N 0.899 121.315 120.500 -0.139 0.000 2.320 747 R HA 0.185 4.556 4.340 0.051 0.000 0.211 747 R C -0.074 176.086 176.300 -0.233 0.000 0.931 747 R CA 0.004 56.012 56.100 -0.153 0.000 1.071 747 R CB -0.405 29.822 30.300 -0.121 0.000 1.025 747 R HN 0.263 nan 8.270 nan 0.000 0.495 748 L N 1.356 122.406 121.223 -0.289 0.000 2.281 748 L HA 0.089 4.460 4.340 0.051 0.000 0.285 748 L C 0.760 177.498 176.870 -0.220 0.000 1.074 748 L CA -0.238 54.410 54.840 -0.320 0.000 0.817 748 L CB 1.219 43.060 42.059 -0.363 0.000 1.168 748 L HN -0.064 nan 8.230 nan 0.000 0.434 749 D N 1.344 121.573 120.400 -0.284 0.000 2.149 749 D HA -0.100 4.571 4.640 0.051 0.000 0.198 749 D C 0.105 176.349 176.300 -0.093 0.000 0.990 749 D CA 1.469 55.335 54.000 -0.225 0.000 0.839 749 D CB 0.289 40.862 40.800 -0.378 0.000 0.948 749 D HN 0.413 nan 8.370 nan 0.000 0.460 750 E N -0.812 119.360 120.200 -0.047 0.000 2.390 750 E HA 0.341 4.721 4.350 0.051 0.000 0.280 750 E C -0.830 175.889 176.600 0.198 0.000 0.992 750 E CA -0.458 56.030 56.400 0.146 0.000 0.790 750 E CB 2.057 31.965 29.700 0.348 0.000 1.248 750 E HN -0.051 nan 8.360 nan 0.000 0.447 751 I N 2.072 122.761 120.570 0.198 0.000 2.621 751 I HA 0.170 4.370 4.170 0.051 0.000 0.276 751 I C -0.216 176.058 176.117 0.262 0.000 1.118 751 I CA -0.646 60.792 61.300 0.230 0.000 1.159 751 I CB 1.140 39.268 38.000 0.213 0.000 1.357 751 I HN 0.075 nan 8.210 nan 0.000 0.513 752 V N 5.360 125.466 119.914 0.320 0.000 2.637 752 V HA 0.098 4.248 4.120 0.051 0.000 0.296 752 V C 0.218 176.455 176.094 0.238 0.000 1.046 752 V CA -0.288 62.140 62.300 0.214 0.000 1.066 752 V CB 1.906 33.803 31.823 0.122 0.000 0.968 752 V HN 0.390 nan 8.190 nan 0.000 0.483 753 V N 6.579 126.579 119.914 0.145 0.000 2.350 753 V HA 0.532 4.682 4.120 0.051 0.000 0.285 753 V C -0.622 175.529 176.094 0.094 0.000 1.014 753 V CA -0.425 62.001 62.300 0.209 0.000 0.831 753 V CB 0.913 32.891 31.823 0.258 0.000 1.000 753 V HN 0.606 nan 8.190 nan 0.000 0.433 754 F N 6.765 126.715 119.950 -0.000 0.000 2.389 754 F HA 0.664 5.221 4.527 0.050 0.000 0.337 754 F C 0.894 176.706 175.800 0.020 0.000 1.112 754 F CA -0.183 57.797 58.000 -0.033 0.000 1.192 754 F CB 1.000 39.970 39.000 -0.050 0.000 1.185 754 F HN 0.596 nan 8.300 nan 0.000 0.552 755 R N 1.514 122.108 120.500 0.157 0.000 2.912 755 R HA 0.697 5.067 4.340 0.051 0.000 0.262 755 R C -3.154 173.224 176.300 0.131 0.000 1.057 755 R CA -2.242 53.930 56.100 0.119 0.000 0.981 755 R CB 0.758 31.090 30.300 0.054 0.000 1.201 755 R HN 0.225 nan 8.270 nan 0.000 0.484 756 P HA -0.007 nan 4.420 nan 0.000 0.269 756 P C -0.668 176.674 177.300 0.070 0.000 1.217 756 P CA 0.022 63.223 63.100 0.169 0.000 0.783 756 P CB 0.441 32.232 31.700 0.153 0.000 0.898 757 L N 0.836 122.048 121.223 -0.019 0.000 2.379 757 L HA 0.442 4.812 4.340 0.051 0.000 0.269 757 L C 1.024 177.727 176.870 -0.279 0.000 1.084 757 L CA -0.550 54.163 54.840 -0.211 0.000 0.802 757 L CB 0.986 42.822 42.059 -0.372 0.000 1.175 757 L HN 0.394 nan 8.230 nan 0.000 0.448 758 T N -2.570 111.867 114.554 -0.195 0.000 2.907 758 T HA 0.233 4.613 4.350 0.051 0.000 0.284 758 T C 0.946 175.542 174.700 -0.175 0.000 1.004 758 T CA -0.893 61.116 62.100 -0.153 0.000 1.063 758 T CB 1.467 70.279 68.868 -0.093 0.000 0.992 758 T HN 0.750 nan 8.240 nan 0.000 0.483 759 K N 1.497 121.816 120.400 -0.134 0.000 2.127 759 K HA -0.325 4.026 4.320 0.051 0.000 0.212 759 K C 1.428 177.974 176.600 -0.090 0.000 1.050 759 K CA 2.192 58.414 56.287 -0.107 0.000 0.929 759 K CB -0.538 31.928 32.500 -0.058 0.000 0.715 759 K HN 0.647 nan 8.250 nan 0.000 0.457 760 E N 1.374 121.528 120.200 -0.075 0.000 2.038 760 E HA -0.183 4.198 4.350 0.051 0.000 0.195 760 E C 2.322 178.882 176.600 -0.067 0.000 1.000 760 E CA 1.828 58.192 56.400 -0.060 0.000 0.803 760 E CB -0.260 29.408 29.700 -0.053 0.000 0.750 760 E HN 0.448 nan 8.360 nan 0.000 0.448 761 Q N 0.131 119.880 119.800 -0.085 0.000 2.045 761 Q HA -0.200 4.171 4.340 0.051 0.000 0.206 761 Q C 2.196 178.146 176.000 -0.083 0.000 0.991 761 Q CA 1.385 57.140 55.803 -0.081 0.000 0.851 761 Q CB -0.359 28.321 28.738 -0.096 0.000 0.911 761 Q HN 0.262 nan 8.270 nan 0.000 0.418 762 I N 1.167 121.656 120.570 -0.136 0.000 2.087 762 I HA -0.343 3.857 4.170 0.051 0.000 0.240 762 I C 2.384 178.472 176.117 -0.049 0.000 1.054 762 I CA 1.803 63.033 61.300 -0.116 0.000 1.311 762 I CB -1.339 36.562 38.000 -0.165 0.000 1.024 762 I HN 0.302 nan 8.210 nan 0.000 0.402 763 R N 0.464 120.936 120.500 -0.046 0.000 2.113 763 R HA -0.244 4.127 4.340 0.051 0.000 0.244 763 R C 2.225 178.518 176.300 -0.012 0.000 1.142 763 R CA 1.714 57.801 56.100 -0.022 0.000 0.953 763 R CB -0.554 29.734 30.300 -0.021 0.000 0.860 763 R HN 0.598 nan 8.270 nan 0.000 0.438 764 Q N 0.304 120.092 119.800 -0.019 0.000 2.135 764 Q HA -0.158 4.212 4.340 0.051 0.000 0.204 764 Q C 2.219 178.221 176.000 0.004 0.000 0.981 764 Q CA 1.402 57.199 55.803 -0.009 0.000 0.856 764 Q CB -0.201 28.527 28.738 -0.016 0.000 0.902 764 Q HN 0.449 nan 8.270 nan 0.000 0.425 765 I N -0.005 120.568 120.570 0.004 0.000 2.252 765 I HA -0.234 3.966 4.170 0.051 0.000 0.245 765 I C 2.203 178.335 176.117 0.026 0.000 1.102 765 I CA 0.736 62.048 61.300 0.020 0.000 1.385 765 I CB -0.313 37.702 38.000 0.026 0.000 1.064 765 I HN 0.034 nan 8.210 nan 0.000 0.414 766 V N 0.776 120.701 119.914 0.019 0.000 2.324 766 V HA -0.309 3.841 4.120 0.051 0.000 0.250 766 V C 2.507 178.618 176.094 0.029 0.000 1.060 766 V CA 2.156 64.471 62.300 0.024 0.000 1.042 766 V CB -0.716 31.116 31.823 0.015 0.000 0.650 766 V HN 0.405 nan 8.190 nan 0.000 0.450 767 E N 0.421 120.635 120.200 0.023 0.000 2.017 767 E HA -0.215 4.166 4.350 0.051 0.000 0.193 767 E C 2.071 178.692 176.600 0.034 0.000 0.997 767 E CA 1.849 58.264 56.400 0.025 0.000 0.804 767 E CB -0.507 29.202 29.700 0.016 0.000 0.757 767 E HN 0.581 nan 8.360 nan 0.000 0.448 768 I N 0.054 120.645 120.570 0.034 0.000 2.530 768 I HA -0.301 3.899 4.170 0.051 0.000 0.257 768 I C 2.004 178.156 176.117 0.058 0.000 1.179 768 I CA 1.403 62.728 61.300 0.042 0.000 1.440 768 I CB -0.002 38.020 38.000 0.037 0.000 1.087 768 I HN 0.189 nan 8.210 nan 0.000 0.440 769 Q N 1.078 120.912 119.800 0.056 0.000 2.083 769 Q HA -0.104 4.266 4.340 0.051 0.000 0.198 769 Q C 2.066 178.121 176.000 0.093 0.000 0.969 769 Q CA 1.718 57.565 55.803 0.072 0.000 0.838 769 Q CB -0.371 28.403 28.738 0.059 0.000 0.900 769 Q HN 0.608 nan 8.270 nan 0.000 0.436 770 L N -0.112 121.154 121.223 0.071 0.000 2.131 770 L HA -0.180 4.191 4.340 0.051 0.000 0.210 770 L C 2.277 179.186 176.870 0.066 0.000 1.092 770 L CA 1.051 55.930 54.840 0.065 0.000 0.759 770 L CB -0.473 41.614 42.059 0.047 0.000 0.903 770 L HN 0.174 nan 8.230 nan 0.000 0.435 771 S N -0.569 115.175 115.700 0.073 0.000 2.378 771 S HA -0.323 4.178 4.470 0.051 0.000 0.229 771 S C 1.863 176.522 174.600 0.100 0.000 1.052 771 S CA 2.097 60.342 58.200 0.075 0.000 1.084 771 S CB -0.632 62.616 63.200 0.080 0.000 0.950 771 S HN 0.465 nan 8.310 nan 0.000 0.440 772 Y N 1.913 122.224 120.300 0.020 0.000 2.165 772 Y HA -0.128 4.452 4.550 0.051 0.000 0.286 772 Y C 2.136 178.049 175.900 0.021 0.000 1.155 772 Y CA 1.172 59.284 58.100 0.019 0.000 1.164 772 Y CB -0.759 37.712 38.460 0.018 0.000 0.978 772 Y HN 0.190 nan 8.280 nan 0.000 0.513 773 L N 0.887 122.019 121.223 -0.151 0.000 2.012 773 L HA -0.204 4.166 4.340 0.051 0.000 0.210 773 L C 2.462 179.227 176.870 -0.174 0.000 1.073 773 L CA 1.841 56.554 54.840 -0.212 0.000 0.748 773 L CB -0.744 41.291 42.059 -0.040 0.000 0.891 773 L HN 0.150 nan 8.230 nan 0.000 0.431 774 R N -0.570 119.881 120.500 -0.082 0.000 2.073 774 R HA -0.144 4.226 4.340 0.051 0.000 0.234 774 R C 2.220 178.475 176.300 -0.076 0.000 1.134 774 R CA 1.307 57.375 56.100 -0.052 0.000 0.952 774 R CB -0.886 29.407 30.300 -0.013 0.000 0.850 774 R HN 0.532 nan 8.270 nan 0.000 0.433 775 A N 1.911 124.680 122.820 -0.084 0.000 1.869 775 A HA -0.243 4.107 4.320 0.051 0.000 0.218 775 A C 2.174 179.691 177.584 -0.111 0.000 1.203 775 A CA 1.605 53.601 52.037 -0.068 0.000 0.638 775 A CB -0.493 18.494 19.000 -0.021 0.000 0.831 775 A HN 0.166 nan 8.150 nan 0.000 0.450 776 R N -0.475 119.884 120.500 -0.235 0.000 2.103 776 R HA -0.110 4.260 4.340 0.051 0.000 0.242 776 R C 2.153 178.379 176.300 -0.123 0.000 1.142 776 R CA 1.538 57.511 56.100 -0.212 0.000 0.960 776 R CB -1.165 28.919 30.300 -0.359 0.000 0.858 776 R HN 0.644 nan 8.270 nan 0.000 0.439 777 L N 0.189 121.343 121.223 -0.115 0.000 2.131 777 L HA -0.105 4.265 4.340 0.051 0.000 0.210 777 L C 2.623 179.468 176.870 -0.042 0.000 1.092 777 L CA 1.161 55.962 54.840 -0.065 0.000 0.759 777 L CB -0.619 41.412 42.059 -0.047 0.000 0.903 777 L HN 0.155 nan 8.230 nan 0.000 0.435 778 A N 0.051 122.847 122.820 -0.041 0.000 1.933 778 A HA -0.215 4.135 4.320 0.051 0.000 0.218 778 A C 2.061 179.633 177.584 -0.021 0.000 1.175 778 A CA 1.433 53.456 52.037 -0.024 0.000 0.628 778 A CB -0.441 18.548 19.000 -0.018 0.000 0.814 778 A HN 0.452 nan 8.150 nan 0.000 0.444 779 E N -0.412 119.772 120.200 -0.027 0.000 2.393 779 E HA -0.162 4.219 4.350 0.051 0.000 0.201 779 E C 0.755 177.345 176.600 -0.017 0.000 1.025 779 E CA 1.011 57.400 56.400 -0.020 0.000 0.856 779 E CB -0.085 29.601 29.700 -0.023 0.000 0.771 779 E HN 0.543 nan 8.360 nan 0.000 0.526 780 K N -0.277 120.111 120.400 -0.020 0.000 2.564 780 K HA 0.237 4.587 4.320 0.051 0.000 0.205 780 K C -0.207 176.386 176.600 -0.012 0.000 1.053 780 K CA -0.187 56.090 56.287 -0.016 0.000 1.072 780 K CB 0.663 33.150 32.500 -0.021 0.000 0.822 780 K HN -0.050 nan 8.250 nan 0.000 0.497 781 R N 0.165 120.659 120.500 -0.010 0.000 4.023 781 R HA -0.197 4.174 4.340 0.051 0.000 0.368 781 R C -0.150 176.147 176.300 -0.004 0.000 1.187 781 R CA 0.889 56.985 56.100 -0.006 0.000 1.089 781 R CB -1.911 28.387 30.300 -0.004 0.000 1.574 781 R HN 0.265 nan 8.270 nan 0.000 0.564 782 I N 1.395 121.961 120.570 -0.007 0.000 2.416 782 I HA 0.059 4.259 4.170 0.051 0.000 0.288 782 I C 0.688 176.806 176.117 0.002 0.000 1.051 782 I CA 0.185 61.484 61.300 -0.002 0.000 1.375 782 I CB 1.399 39.396 38.000 -0.006 0.000 1.407 782 I HN 0.003 nan 8.210 nan 0.000 0.516 783 S N 6.607 122.314 115.700 0.011 0.000 2.654 783 S HA 0.595 5.095 4.470 0.051 0.000 0.283 783 S C -0.484 174.132 174.600 0.027 0.000 1.180 783 S CA -0.558 57.651 58.200 0.014 0.000 1.021 783 S CB 1.864 65.072 63.200 0.013 0.000 1.018 783 S HN 0.404 nan 8.310 nan 0.000 0.532 784 L N 2.529 123.769 121.223 0.027 0.000 2.492 784 L HA 0.414 4.785 4.340 0.051 0.000 0.258 784 L C -0.606 176.281 176.870 0.029 0.000 1.028 784 L CA -0.011 54.854 54.840 0.042 0.000 0.900 784 L CB 0.972 43.061 42.059 0.049 0.000 1.191 784 L HN 0.755 nan 8.230 nan 0.000 0.459 785 E N 3.540 123.754 120.200 0.023 0.000 2.146 785 E HA 0.514 4.895 4.350 0.051 0.000 0.282 785 E C -1.411 175.187 176.600 -0.004 0.000 0.989 785 E CA -0.645 55.761 56.400 0.009 0.000 0.799 785 E CB 0.977 30.681 29.700 0.006 0.000 1.088 785 E HN 0.481 nan 8.360 nan 0.000 0.397 786 L N 3.217 124.436 121.223 -0.007 0.000 2.334 786 L HA 0.363 4.733 4.340 0.051 0.000 0.272 786 L C 0.260 177.118 176.870 -0.019 0.000 1.020 786 L CA -0.432 54.395 54.840 -0.023 0.000 0.812 786 L CB 1.997 44.049 42.059 -0.012 0.000 1.264 786 L HN 0.533 nan 8.230 nan 0.000 0.439 787 T N 0.773 115.309 114.554 -0.031 0.000 2.899 787 T HA 0.094 4.474 4.350 0.051 0.000 0.295 787 T C 1.134 175.830 174.700 -0.007 0.000 1.033 787 T CA -0.524 61.562 62.100 -0.023 0.000 1.084 787 T CB 0.853 69.700 68.868 -0.036 0.000 0.979 787 T HN 0.482 nan 8.240 nan 0.000 0.532 788 E N 1.540 121.738 120.200 -0.003 0.000 2.085 788 E HA -0.182 4.199 4.350 0.051 0.000 0.194 788 E C 2.421 179.031 176.600 0.017 0.000 0.994 788 E CA 1.369 57.772 56.400 0.006 0.000 0.801 788 E CB -0.532 29.169 29.700 0.002 0.000 0.743 788 E HN 0.750 nan 8.360 nan 0.000 0.453 789 A N 1.597 124.423 122.820 0.009 0.000 1.883 789 A HA -0.157 4.193 4.320 0.051 0.000 0.217 789 A C 2.459 180.073 177.584 0.050 0.000 1.186 789 A CA 2.370 54.418 52.037 0.018 0.000 0.624 789 A CB -0.692 18.300 19.000 -0.013 0.000 0.822 789 A HN 0.292 nan 8.150 nan 0.000 0.444 790 A N -0.101 122.735 122.820 0.027 0.000 1.851 790 A HA -0.202 4.148 4.320 0.051 0.000 0.216 790 A C 2.113 179.774 177.584 0.128 0.000 1.195 790 A CA 1.948 54.024 52.037 0.065 0.000 0.622 790 A CB -0.580 18.416 19.000 -0.006 0.000 0.831 790 A HN 0.553 nan 8.150 nan 0.000 0.444 791 K N -0.346 120.094 120.400 0.067 0.000 2.020 791 K HA -0.198 4.152 4.320 0.051 0.000 0.212 791 K C 1.708 178.345 176.600 0.062 0.000 1.050 791 K CA 1.631 57.951 56.287 0.054 0.000 0.929 791 K CB -0.426 32.090 32.500 0.028 0.000 0.714 791 K HN 0.457 nan 8.250 nan 0.000 0.443 792 D N 0.359 120.801 120.400 0.069 0.000 2.133 792 D HA -0.183 4.487 4.640 0.051 0.000 0.195 792 D C 1.751 178.119 176.300 0.113 0.000 0.997 792 D CA 1.000 55.041 54.000 0.069 0.000 0.840 792 D CB -0.232 40.607 40.800 0.064 0.000 0.947 792 D HN 0.090 nan 8.370 nan 0.000 0.452 793 F N 1.761 121.710 119.950 -0.001 0.000 2.069 793 F HA -0.159 4.398 4.527 0.051 0.000 0.298 793 F C 2.232 178.042 175.800 0.018 0.000 1.113 793 F CA 1.127 59.130 58.000 0.005 0.000 1.214 793 F CB -0.630 38.366 39.000 -0.007 0.000 0.978 793 F HN -0.126 nan 8.300 nan 0.000 0.474 794 L N 0.021 121.173 121.223 -0.118 0.000 2.012 794 L HA -0.249 4.122 4.340 0.051 0.000 0.210 794 L C 2.841 179.620 176.870 -0.152 0.000 1.073 794 L CA 1.379 56.089 54.840 -0.217 0.000 0.748 794 L CB -1.415 40.618 42.059 -0.043 0.000 0.891 794 L HN 0.297 nan 8.230 nan 0.000 0.431 795 A N -0.409 122.376 122.820 -0.058 0.000 1.873 795 A HA -0.233 4.117 4.320 0.051 0.000 0.218 795 A C 2.184 179.756 177.584 -0.021 0.000 1.193 795 A CA 1.681 53.703 52.037 -0.025 0.000 0.629 795 A CB -0.499 18.494 19.000 -0.012 0.000 0.826 795 A HN 0.385 nan 8.150 nan 0.000 0.447 796 E N -0.507 119.669 120.200 -0.038 0.000 2.019 796 E HA -0.221 4.160 4.350 0.051 0.000 0.208 796 E C 2.240 178.801 176.600 -0.064 0.000 1.030 796 E CA 1.210 57.597 56.400 -0.021 0.000 0.856 796 E CB -0.407 29.297 29.700 0.008 0.000 0.781 796 E HN 0.331 nan 8.360 nan 0.000 0.471 797 R N -0.047 120.316 120.500 -0.228 0.000 2.139 797 R HA -0.115 4.255 4.340 0.051 0.000 0.243 797 R C 2.290 178.521 176.300 -0.114 0.000 1.145 797 R CA 1.151 57.116 56.100 -0.226 0.000 0.976 797 R CB -1.087 28.925 30.300 -0.480 0.000 0.866 797 R HN 0.332 nan 8.270 nan 0.000 0.449 798 G N -0.340 108.405 108.800 -0.092 0.000 2.433 798 G HA2 -0.254 3.736 3.960 0.051 0.000 0.216 798 G HA3 -0.254 3.736 3.960 0.051 0.000 0.216 798 G C 0.555 175.509 174.900 0.089 0.000 1.186 798 G CA 0.293 45.391 45.100 -0.003 0.000 0.779 798 G HN 0.284 nan 8.290 nan 0.000 0.543 799 Y N 1.354 121.639 120.300 -0.025 0.000 2.295 799 Y HA 0.477 5.057 4.550 0.051 0.000 0.331 799 Y C -0.122 175.784 175.900 0.010 0.000 1.311 799 Y CA -0.760 57.342 58.100 0.003 0.000 1.430 799 Y CB 1.119 39.580 38.460 0.001 0.000 1.339 799 Y HN 0.236 nan 8.280 nan 0.000 0.552 800 D N 2.291 122.328 120.400 -0.605 0.000 2.623 800 D HA 0.217 4.887 4.640 0.051 0.000 0.241 800 D C -2.614 173.350 176.300 -0.560 0.000 1.241 800 D CA -1.643 52.128 54.000 -0.382 0.000 0.788 800 D CB 2.320 43.001 40.800 -0.199 0.000 1.413 800 D HN 0.245 nan 8.370 nan 0.000 0.429 801 P HA -0.069 nan 4.420 nan 0.000 0.213 801 P C 1.453 178.643 177.300 -0.183 0.000 1.170 801 P CA 0.754 63.744 63.100 -0.183 0.000 0.889 801 P CB 0.386 32.020 31.700 -0.109 0.000 0.782 802 V N -1.926 117.866 119.914 -0.202 0.000 2.649 802 V HA -0.002 4.148 4.120 0.051 0.000 0.248 802 V C 1.691 177.805 176.094 0.034 0.000 1.054 802 V CA 1.251 63.464 62.300 -0.145 0.000 1.073 802 V CB -0.786 30.879 31.823 -0.264 0.000 0.699 802 V HN 0.001 nan 8.190 nan 0.000 0.463 803 F N 0.055 119.910 119.950 -0.159 0.000 2.698 803 F HA 0.420 4.977 4.527 0.051 0.000 0.295 803 F C 1.695 177.379 175.800 -0.195 0.000 1.124 803 F CA 0.210 58.124 58.000 -0.142 0.000 1.426 803 F CB 0.409 39.341 39.000 -0.113 0.000 1.120 803 F HN 0.420 nan 8.300 nan 0.000 0.583 804 G N 1.304 109.983 108.800 -0.202 0.000 2.512 804 G HA2 -0.310 3.680 3.960 0.051 0.000 0.254 804 G HA3 -0.310 3.680 3.960 0.051 0.000 0.254 804 G C 0.444 175.160 174.900 -0.306 0.000 1.199 804 G CA -0.172 44.667 45.100 -0.435 0.000 0.941 804 G HN 0.408 nan 8.290 nan 0.000 0.569 805 A N 0.025 122.908 122.820 0.106 0.000 2.476 805 A HA 0.498 4.849 4.320 0.051 0.000 0.263 805 A C 1.976 179.613 177.584 0.089 0.000 1.342 805 A CA 1.351 53.523 52.037 0.225 0.000 0.926 805 A CB -0.310 18.876 19.000 0.309 0.000 1.019 805 A HN 0.742 nan 8.150 nan 0.000 0.515 806 R N 0.522 121.040 120.500 0.031 0.000 2.062 806 R HA -0.052 4.318 4.340 0.051 0.000 0.229 806 R C -0.929 175.369 176.300 -0.003 0.000 1.128 806 R CA 1.550 57.644 56.100 -0.010 0.000 0.960 806 R CB -0.930 29.318 30.300 -0.086 0.000 0.855 806 R HN 0.348 nan 8.270 nan 0.000 0.432 807 P HA -0.193 nan 4.420 nan 0.000 0.216 807 P C 1.233 178.543 177.300 0.017 0.000 1.153 807 P CA 0.856 63.971 63.100 0.024 0.000 0.858 807 P CB -0.103 31.625 31.700 0.047 0.000 0.789 808 L N -0.089 121.151 121.223 0.028 0.000 2.082 808 L HA -0.280 4.090 4.340 0.051 0.000 0.223 808 L C 2.440 179.322 176.870 0.021 0.000 1.086 808 L CA 2.051 56.904 54.840 0.023 0.000 0.793 808 L CB -0.954 41.133 42.059 0.046 0.000 0.896 808 L HN -0.119 nan 8.230 nan 0.000 0.441 809 R N -1.229 119.286 120.500 0.024 0.000 2.070 809 R HA -0.157 4.214 4.340 0.051 0.000 0.232 809 R C 2.362 178.680 176.300 0.029 0.000 1.138 809 R CA 1.623 57.741 56.100 0.030 0.000 0.936 809 R CB -0.168 30.145 30.300 0.021 0.000 0.839 809 R HN 0.362 nan 8.270 nan 0.000 0.429 810 R N 0.161 120.673 120.500 0.019 0.000 2.103 810 R HA -0.126 4.245 4.340 0.051 0.000 0.242 810 R C 2.330 178.646 176.300 0.027 0.000 1.142 810 R CA 1.356 57.468 56.100 0.021 0.000 0.960 810 R CB -1.135 29.173 30.300 0.013 0.000 0.858 810 R HN 0.195 nan 8.270 nan 0.000 0.439 811 V N 1.964 121.887 119.914 0.015 0.000 2.233 811 V HA -0.235 3.915 4.120 0.051 0.000 0.247 811 V C 2.544 178.652 176.094 0.023 0.000 1.050 811 V CA 1.868 64.169 62.300 0.002 0.000 1.010 811 V CB -0.501 31.295 31.823 -0.046 0.000 0.637 811 V HN 0.208 nan 8.190 nan 0.000 0.444 812 I N -0.259 120.327 120.570 0.026 0.000 2.315 812 I HA -0.360 3.841 4.170 0.051 0.000 0.251 812 I C 2.633 178.796 176.117 0.076 0.000 1.125 812 I CA 2.008 63.340 61.300 0.054 0.000 1.392 812 I CB -0.395 37.638 38.000 0.055 0.000 1.065 812 I HN 0.476 nan 8.210 nan 0.000 0.424 813 Q N 0.893 120.732 119.800 0.065 0.000 2.016 813 Q HA -0.234 4.136 4.340 0.051 0.000 0.200 813 Q C 2.532 178.575 176.000 0.072 0.000 0.978 813 Q CA 1.447 57.291 55.803 0.067 0.000 0.833 813 Q CB -0.063 28.708 28.738 0.054 0.000 0.895 813 Q HN 0.263 nan 8.270 nan 0.000 0.427 814 R N 0.167 120.708 120.500 0.069 0.000 2.057 814 R HA -0.106 4.264 4.340 0.051 0.000 0.229 814 R C 1.837 178.205 176.300 0.113 0.000 1.136 814 R CA 1.565 57.712 56.100 0.077 0.000 0.952 814 R CB -0.264 30.075 30.300 0.066 0.000 0.848 814 R HN 0.312 nan 8.270 nan 0.000 0.430 815 E N 0.644 120.923 120.200 0.133 0.000 2.153 815 E HA -0.164 4.216 4.350 0.051 0.000 0.194 815 E C 1.794 178.540 176.600 0.242 0.000 0.988 815 E CA 0.960 57.480 56.400 0.200 0.000 0.811 815 E CB 0.002 29.846 29.700 0.240 0.000 0.746 815 E HN 0.251 nan 8.360 nan 0.000 0.466 816 L N 0.100 121.453 121.223 0.217 0.000 2.614 816 L HA 0.123 4.494 4.340 0.051 0.000 0.185 816 L C 1.844 178.864 176.870 0.249 0.000 1.098 816 L CA 0.951 55.974 54.840 0.305 0.000 0.852 816 L CB -0.197 41.994 42.059 0.220 0.000 1.213 816 L HN -0.173 nan 8.230 nan 0.000 0.491 817 E N -0.434 119.848 120.200 0.137 0.000 2.051 817 E HA -0.185 4.196 4.350 0.051 0.000 0.192 817 E C 1.776 178.390 176.600 0.023 0.000 0.991 817 E CA 1.905 58.346 56.400 0.069 0.000 0.799 817 E CB -0.276 29.459 29.700 0.058 0.000 0.748 817 E HN 0.507 nan 8.360 nan 0.000 0.449 818 T N 1.418 115.995 114.554 0.038 0.000 2.652 818 T HA -0.119 4.261 4.350 0.051 0.000 0.267 818 T C -0.921 173.758 174.700 -0.036 0.000 1.039 818 T CA 1.590 63.696 62.100 0.010 0.000 1.153 818 T CB -1.096 67.791 68.868 0.031 0.000 0.863 818 T HN 0.097 nan 8.240 nan 0.000 0.428 819 P HA -0.026 nan 4.420 nan 0.000 0.213 819 P C 1.687 178.745 177.300 -0.404 0.000 1.170 819 P CA 0.531 63.540 63.100 -0.153 0.000 0.898 819 P CB -0.230 31.473 31.700 0.004 0.000 0.787 820 L N -0.479 120.419 121.223 -0.541 0.000 2.137 820 L HA -0.224 4.147 4.340 0.051 0.000 0.213 820 L C 2.119 178.825 176.870 -0.272 0.000 1.085 820 L CA 2.111 56.621 54.840 -0.551 0.000 0.760 820 L CB -1.454 40.460 42.059 -0.242 0.000 0.893 820 L HN -0.111 nan 8.230 nan 0.000 0.434 821 A N -1.243 121.477 122.820 -0.167 0.000 1.858 821 A HA -0.259 4.091 4.320 0.051 0.000 0.216 821 A C 2.188 179.709 177.584 -0.104 0.000 1.190 821 A CA 1.796 53.771 52.037 -0.103 0.000 0.617 821 A CB -0.604 18.360 19.000 -0.060 0.000 0.827 821 A HN 0.623 nan 8.150 nan 0.000 0.443 822 Q N -0.361 119.372 119.800 -0.112 0.000 2.061 822 Q HA -0.200 4.170 4.340 0.051 0.000 0.204 822 Q C 2.077 178.016 176.000 -0.103 0.000 0.984 822 Q CA 1.593 57.342 55.803 -0.090 0.000 0.846 822 Q CB -0.201 28.490 28.738 -0.078 0.000 0.902 822 Q HN 0.438 nan 8.270 nan 0.000 0.421 823 K N 0.666 120.971 120.400 -0.157 0.000 2.059 823 K HA -0.186 4.165 4.320 0.051 0.000 0.212 823 K C 2.010 178.550 176.600 -0.100 0.000 1.050 823 K CA 1.339 57.540 56.287 -0.144 0.000 0.927 823 K CB -0.568 31.795 32.500 -0.229 0.000 0.714 823 K HN 0.329 nan 8.250 nan 0.000 0.447 824 I N 0.979 121.487 120.570 -0.103 0.000 2.142 824 I HA -0.271 3.929 4.170 0.051 0.000 0.240 824 I C 2.406 178.492 176.117 -0.051 0.000 1.078 824 I CA 1.080 62.339 61.300 -0.069 0.000 1.343 824 I CB -0.317 37.643 38.000 -0.066 0.000 1.046 824 I HN 0.051 nan 8.210 nan 0.000 0.405 825 L N 0.562 121.754 121.223 -0.051 0.000 2.046 825 L HA -0.175 4.195 4.340 0.051 0.000 0.208 825 L C 2.758 179.609 176.870 -0.033 0.000 1.077 825 L CA 1.338 56.156 54.840 -0.037 0.000 0.747 825 L CB -0.803 41.235 42.059 -0.034 0.000 0.896 825 L HN 0.239 nan 8.230 nan 0.000 0.432 826 A N -0.535 122.261 122.820 -0.039 0.000 2.121 826 A HA 0.094 4.445 4.320 0.051 0.000 0.218 826 A C 1.960 179.528 177.584 -0.027 0.000 1.154 826 A CA 1.295 53.313 52.037 -0.032 0.000 0.679 826 A CB -0.519 18.459 19.000 -0.036 0.000 0.795 826 A HN 0.606 nan 8.150 nan 0.000 0.458 827 G N -1.114 107.668 108.800 -0.031 0.000 2.234 827 G HA2 -0.313 3.677 3.960 0.051 0.000 0.235 827 G HA3 -0.313 3.677 3.960 0.051 0.000 0.235 827 G C 0.745 175.631 174.900 -0.023 0.000 0.997 827 G CA 0.660 45.746 45.100 -0.024 0.000 0.623 827 G HN 0.533 nan 8.290 nan 0.000 0.514 828 E N -0.343 119.840 120.200 -0.029 0.000 2.171 828 E HA -0.002 4.378 4.350 0.051 0.000 0.197 828 E C 0.746 177.333 176.600 -0.021 0.000 0.997 828 E CA 1.298 57.684 56.400 -0.023 0.000 0.810 828 E CB 0.042 29.724 29.700 -0.031 0.000 0.738 828 E HN 0.409 nan 8.360 nan 0.000 0.467 829 V N 2.441 122.335 119.914 -0.034 0.000 2.313 829 V HA 0.121 4.271 4.120 0.051 0.000 0.278 829 V C 0.227 176.308 176.094 -0.022 0.000 1.017 829 V CA -0.499 61.785 62.300 -0.026 0.000 0.823 829 V CB 1.220 33.016 31.823 -0.046 0.000 1.010 829 V HN 0.040 nan 8.190 nan 0.000 0.443 830 K N 2.243 122.636 120.400 -0.012 0.000 2.632 830 K HA 0.467 4.818 4.320 0.051 0.000 0.267 830 K C 0.029 176.623 176.600 -0.009 0.000 1.028 830 K CA -0.875 55.405 56.287 -0.011 0.000 1.045 830 K CB 0.957 33.453 32.500 -0.007 0.000 1.400 830 K HN 0.618 nan 8.250 nan 0.000 0.522 831 E N -0.315 119.881 120.200 -0.008 0.000 2.338 831 E HA 0.241 4.621 4.350 0.051 0.000 0.272 831 E C 0.653 177.251 176.600 -0.004 0.000 1.029 831 E CA 1.111 57.507 56.400 -0.007 0.000 0.872 831 E CB 0.209 29.905 29.700 -0.007 0.000 1.015 831 E HN 0.670 nan 8.360 nan 0.000 0.417 832 G N 3.713 112.511 108.800 -0.003 0.000 2.245 832 G HA2 -0.333 3.657 3.960 0.051 0.000 0.264 832 G HA3 -0.333 3.657 3.960 0.051 0.000 0.264 832 G C -0.036 174.866 174.900 0.003 0.000 0.985 832 G CA 0.362 45.462 45.100 -0.000 0.000 0.625 832 G HN 0.653 nan 8.290 nan 0.000 0.536 833 D N 0.240 120.643 120.400 0.004 0.000 2.419 833 D HA 0.405 5.075 4.640 0.051 0.000 0.236 833 D C 1.073 177.382 176.300 0.016 0.000 1.165 833 D CA 0.416 54.422 54.000 0.010 0.000 0.882 833 D CB 0.279 41.086 40.800 0.011 0.000 1.201 833 D HN 0.405 nan 8.370 nan 0.000 0.443 834 R N 1.204 121.716 120.500 0.020 0.000 2.346 834 R HA 0.281 4.652 4.340 0.051 0.000 0.309 834 R C -0.924 175.399 176.300 0.038 0.000 1.119 834 R CA -0.701 55.413 56.100 0.024 0.000 1.112 834 R CB 0.698 31.008 30.300 0.017 0.000 1.132 834 R HN 0.188 nan 8.270 nan 0.000 0.538 835 V N 3.158 123.106 119.914 0.056 0.000 2.485 835 V HA -0.040 4.111 4.120 0.051 0.000 0.287 835 V C 0.451 176.595 176.094 0.084 0.000 1.022 835 V CA 0.189 62.547 62.300 0.097 0.000 1.067 835 V CB 0.838 32.752 31.823 0.150 0.000 0.967 835 V HN 0.561 nan 8.190 nan 0.000 0.479 836 Q N 4.012 123.853 119.800 0.068 0.000 2.290 836 Q HA 0.554 4.925 4.340 0.051 0.000 0.259 836 Q C -0.955 175.021 176.000 -0.040 0.000 0.941 836 Q CA -0.129 55.683 55.803 0.016 0.000 0.912 836 Q CB 1.773 30.515 28.738 0.007 0.000 1.244 836 Q HN 0.643 nan 8.270 nan 0.000 0.441 837 V N 3.722 123.571 119.914 -0.108 0.000 2.495 837 V HA 0.575 4.725 4.120 0.051 0.000 0.298 837 V C -0.639 175.331 176.094 -0.206 0.000 1.031 837 V CA -0.663 61.468 62.300 -0.282 0.000 0.871 837 V CB 1.829 33.443 31.823 -0.348 0.000 0.988 837 V HN 0.849 nan 8.190 nan 0.000 0.432 838 D N 1.716 121.973 120.400 -0.239 0.000 2.652 838 D HA 0.611 5.281 4.640 0.051 0.000 0.285 838 D C -0.516 175.671 176.300 -0.188 0.000 1.173 838 D CA -0.344 53.560 54.000 -0.159 0.000 0.981 838 D CB 2.416 43.150 40.800 -0.110 0.000 1.440 838 D HN 0.529 nan 8.370 nan 0.000 0.485 839 V N -1.061 118.757 119.914 -0.160 0.000 3.003 839 V HA 0.910 5.060 4.120 0.051 0.000 0.305 839 V C 0.607 176.590 176.094 -0.185 0.000 1.078 839 V CA 0.229 62.398 62.300 -0.217 0.000 1.083 839 V CB 0.750 32.448 31.823 -0.209 0.000 1.039 839 V HN 0.591 nan 8.190 nan 0.000 0.481 840 G N 1.358 110.028 108.800 -0.216 0.000 2.949 840 G HA2 0.644 4.635 3.960 0.051 0.000 0.285 840 G HA3 0.644 4.635 3.960 0.051 0.000 0.285 840 G C -2.211 172.600 174.900 -0.147 0.000 1.395 840 G CA -0.722 44.291 45.100 -0.145 0.000 0.901 840 G HN 0.531 nan 8.290 nan 0.000 0.519 841 P HA 0.059 nan 4.420 nan 0.000 0.216 841 P C 1.137 178.381 177.300 -0.094 0.000 1.150 841 P CA 2.014 65.066 63.100 -0.080 0.000 0.837 841 P CB 0.364 32.036 31.700 -0.047 0.000 0.786 842 A N -2.190 120.572 122.820 -0.096 0.000 2.551 842 A HA 0.619 4.970 4.320 0.051 0.000 0.252 842 A C 0.736 178.253 177.584 -0.112 0.000 1.199 842 A CA 0.502 52.491 52.037 -0.079 0.000 0.972 842 A CB 0.443 19.431 19.000 -0.020 0.000 1.153 842 A HN 0.306 nan 8.150 nan 0.000 0.559 843 G N -0.953 107.724 108.800 -0.205 0.000 2.356 843 G HA2 0.439 4.430 3.960 0.051 0.000 0.294 843 G HA3 0.439 4.430 3.960 0.051 0.000 0.294 843 G C -0.927 173.836 174.900 -0.229 0.000 1.423 843 G CA -0.904 44.066 45.100 -0.216 0.000 0.806 843 G HN 0.266 nan 8.290 nan 0.000 0.527 844 L N -0.286 120.846 121.223 -0.151 0.000 2.499 844 L HA 0.390 4.761 4.340 0.051 0.000 0.281 844 L C 0.202 176.959 176.870 -0.188 0.000 1.234 844 L CA -0.146 54.573 54.840 -0.201 0.000 0.839 844 L CB 0.515 42.461 42.059 -0.188 0.000 1.104 844 L HN 0.293 nan 8.230 nan 0.000 0.500 845 V N 1.310 121.041 119.914 -0.305 0.000 2.789 845 V HA 0.488 4.639 4.120 0.051 0.000 0.311 845 V C -0.542 175.352 176.094 -0.333 0.000 1.073 845 V CA -0.681 61.525 62.300 -0.156 0.000 0.921 845 V CB 1.842 33.621 31.823 -0.074 0.000 1.009 845 V HN 0.360 nan 8.190 nan 0.000 0.426 846 F N 1.403 121.351 119.950 -0.005 0.000 2.523 846 F HA 0.912 5.470 4.527 0.051 0.000 0.329 846 F C 0.413 176.210 175.800 -0.004 0.000 1.061 846 F CA -0.777 57.223 58.000 -0.001 0.000 0.967 846 F CB 2.048 41.049 39.000 0.002 0.000 1.218 846 F HN 0.671 nan 8.300 nan 0.000 0.480 847 A N 1.105 124.029 122.820 0.172 0.000 2.491 847 A HA 0.675 5.025 4.320 0.051 0.000 0.293 847 A C -1.787 175.845 177.584 0.080 0.000 1.047 847 A CA -0.661 51.433 52.037 0.095 0.000 0.735 847 A CB 0.818 19.845 19.000 0.045 0.000 1.281 847 A HN 0.484 nan 8.150 nan 0.000 0.398 848 V N 3.118 123.070 119.914 0.063 0.000 2.439 848 V HA 0.415 4.566 4.120 0.051 0.000 0.282 848 V C -2.029 174.083 176.094 0.029 0.000 1.039 848 V CA -1.364 60.963 62.300 0.045 0.000 0.913 848 V CB 1.036 32.879 31.823 0.034 0.000 0.983 848 V HN 0.831 nan 8.190 nan 0.000 0.460 849 P HA 0.296 nan 4.420 nan 0.000 0.267 849 P C 0.094 177.401 177.300 0.013 0.000 1.205 849 P CA 0.134 63.243 63.100 0.016 0.000 0.765 849 P CB 0.522 32.230 31.700 0.013 0.000 0.828 850 A N 0.000 122.826 122.820 0.010 0.000 2.254 850 A HA 0.000 4.350 4.320 0.051 0.000 0.244 850 A CA 0.000 52.042 52.037 0.008 0.000 0.836 850 A CB 0.000 19.004 19.000 0.007 0.000 0.831 850 A HN 0.000 nan 8.150 nan 0.000 0.486