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 3kt7_1_A DATA FIRST_RESID 24 DATA SEQUENCE DKIKGMFNPK IWDKTFQDGL KKEIEDSQPY NWGTIHELVN DDLLRAVRKE DATA SEQUENCE IETEIHFTKK ETDIYRVNQS GDLANLSGLD WDDLSRLPNL FKLRQILYSK DATA SEQUENCE QYRDFFGYVT KAGKLSGSKT DMSINTYTKG CHLLTHDDVI GSRRISFILY DATA SEQUENCE LPDPDRKWKS HYGGGLRLFP SILPNVPHSD PSAKLVPQFN QIAFFKVLPG DATA SEQUENCE FSFHDXEEVK VDKHRLSIQG WYHIPQVGEE GYIPGEEEAW VRNNTSXXXX DATA SEQUENCE XXXNVLEDFE FPKDERNILS FHEVKHFEKM LKXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXVKLSEA EFTYLSQYIS PEHLSSKGIE KLQKQFVENS SLQIESFLND DATA SEQUENCE DKSELLKKVI KQKELEQECP YHSKDVKAPW KTAIPPHKAR YLYIDGKEYR DATA SEQUENCE NFQTEADILE ALNNNDLPNF QFTKDAIKII SDASGNSREN NFDAELALID DATA SEQUENCE LAVFHKSTIF KKYLALLTSL cPVSEQILIR RFRPGMDFTL ATKCRFNELL DATA SEQUENCE KSNPDIIDAV LEGTLCLTPS AGWESGELGG YELYMMDXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXDSVLINDP PAWNTFNLVL RDESVLEFVK YVSWSAKSSR DATA SEQUENCE WDVKMKWDVK Sc 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.271 176.300 -0.048 0.000 2.045 24 D CA 0.000 53.953 54.000 -0.078 0.000 0.868 24 D CB 0.000 40.708 40.800 -0.153 0.000 0.688 25 K N 2.331 122.717 120.400 -0.023 0.000 2.211 25 K HA -0.017 4.302 4.320 -0.001 0.000 0.203 25 K C 1.638 178.246 176.600 0.013 0.000 1.050 25 K CA 0.588 56.874 56.287 -0.003 0.000 0.945 25 K CB 0.425 32.927 32.500 0.004 0.000 0.732 25 K HN 0.353 nan 8.250 nan 0.000 0.451 26 I N 1.692 122.275 120.570 0.021 0.000 2.235 26 I HA -0.166 4.004 4.170 -0.001 0.000 0.241 26 I C 2.362 178.594 176.117 0.190 0.000 1.085 26 I CA 1.105 62.457 61.300 0.086 0.000 1.378 26 I CB -0.152 37.907 38.000 0.098 0.000 1.076 26 I HN 0.080 nan 8.210 nan 0.000 0.415 27 K N 0.830 121.254 120.400 0.040 0.000 2.103 27 K HA -0.150 4.169 4.320 -0.001 0.000 0.207 27 K C 2.028 178.829 176.600 0.335 0.000 1.048 27 K CA 1.558 57.852 56.287 0.011 0.000 0.930 27 K CB -0.509 31.599 32.500 -0.655 0.000 0.716 27 K HN 0.454 nan 8.250 nan 0.000 0.444 28 G N 0.233 109.112 108.800 0.132 0.000 2.559 28 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.216 28 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.216 28 G C 1.231 176.185 174.900 0.090 0.000 1.126 28 G CA 0.232 45.400 45.100 0.113 0.000 0.778 28 G HN 0.103 nan 8.290 nan 0.000 0.543 29 M N -0.120 119.511 119.600 0.052 0.000 2.495 29 M HA 0.397 4.876 4.480 -0.001 0.000 0.237 29 M C -0.331 175.796 176.300 -0.288 0.000 1.131 29 M CA -0.172 55.048 55.300 -0.133 0.000 1.032 29 M CB -0.437 32.023 32.600 -0.233 0.000 1.513 29 M HN 0.051 nan 8.290 nan 0.000 0.488 30 F N -0.031 119.969 119.950 0.084 0.000 2.541 30 F HA 0.312 4.838 4.527 -0.001 0.000 0.331 30 F C 0.966 176.727 175.800 -0.066 0.000 1.057 30 F CA -1.131 56.853 58.000 -0.025 0.000 0.975 30 F CB 0.718 39.681 39.000 -0.062 0.000 1.246 30 F HN -0.031 nan 8.300 nan 0.000 0.484 31 N N 3.240 121.964 118.700 0.040 0.000 2.359 31 N HA -0.009 4.730 4.740 -0.001 0.000 0.261 31 N C -1.641 173.751 175.510 -0.197 0.000 1.267 31 N CA -0.866 52.122 53.050 -0.104 0.000 0.864 31 N CB 0.779 39.145 38.487 -0.202 0.000 1.063 31 N HN 0.208 nan 8.380 nan 0.000 0.474 32 P HA -0.226 nan 4.420 nan 0.000 0.222 32 P C 0.676 177.851 177.300 -0.208 0.000 1.147 32 P CA 1.260 64.352 63.100 -0.014 0.000 0.790 32 P CB 0.016 31.739 31.700 0.038 0.000 0.780 33 K N 1.420 121.590 120.400 -0.383 0.000 2.152 33 K HA -0.136 4.183 4.320 -0.001 0.000 0.206 33 K C 2.155 178.209 176.600 -0.910 0.000 1.048 33 K CA 1.635 57.566 56.287 -0.593 0.000 0.933 33 K CB -1.192 30.855 32.500 -0.757 0.000 0.721 33 K HN 0.258 nan 8.250 nan 0.000 0.447 34 I N -2.808 117.100 120.570 -1.104 0.000 2.830 34 I HA -0.018 4.151 4.170 -0.001 0.000 0.263 34 I C 1.011 176.505 176.117 -1.038 0.000 1.230 34 I CA 0.478 60.997 61.300 -1.302 0.000 1.480 34 I CB -0.389 36.567 38.000 -1.740 0.000 1.095 34 I HN 0.137 nan 8.210 nan 0.000 0.455 35 W N 1.610 122.717 121.300 -0.322 0.000 3.290 35 W HA 0.223 4.882 4.660 -0.001 0.000 0.287 35 W C 0.456 176.933 176.519 -0.070 0.000 1.288 35 W CA -0.806 56.431 57.345 -0.181 0.000 1.725 35 W CB -0.121 29.252 29.460 -0.145 0.000 1.103 35 W HN 0.096 nan 8.180 nan 0.000 0.670 36 D N 0.959 121.416 120.400 0.096 0.000 2.312 36 D HA 0.034 4.673 4.640 -0.001 0.000 0.252 36 D C 1.531 177.934 176.300 0.172 0.000 1.150 36 D CA 0.138 54.210 54.000 0.121 0.000 0.870 36 D CB 1.230 42.081 40.800 0.085 0.000 1.153 36 D HN -0.281 nan 8.370 nan 0.000 0.457 37 K N 1.914 122.387 120.400 0.122 0.000 2.063 37 K HA -0.136 4.183 4.320 -0.001 0.000 0.208 37 K C 1.523 178.194 176.600 0.117 0.000 1.048 37 K CA 1.863 58.211 56.287 0.101 0.000 0.928 37 K CB -0.466 32.061 32.500 0.045 0.000 0.713 37 K HN 0.500 nan 8.250 nan 0.000 0.442 38 T N 0.497 115.117 114.554 0.110 0.000 2.746 38 T HA -0.124 4.226 4.350 -0.001 0.000 0.267 38 T C 1.446 176.214 174.700 0.113 0.000 1.039 38 T CA 1.463 63.619 62.100 0.094 0.000 1.142 38 T CB -0.495 68.421 68.868 0.080 0.000 0.866 38 T HN 0.336 nan 8.240 nan 0.000 0.444 39 F N 1.891 121.860 119.950 0.031 0.000 2.102 39 F HA -0.152 4.374 4.527 -0.001 0.000 0.298 39 F C 2.519 178.364 175.800 0.076 0.000 1.105 39 F CA 1.438 59.454 58.000 0.027 0.000 1.239 39 F CB -0.430 38.562 39.000 -0.014 0.000 0.991 39 F HN 0.126 nan 8.300 nan 0.000 0.474 40 Q N -0.044 119.867 119.800 0.186 0.000 2.061 40 Q HA -0.227 4.113 4.340 -0.001 0.000 0.204 40 Q C 1.840 177.885 176.000 0.076 0.000 0.984 40 Q CA 1.836 57.764 55.803 0.210 0.000 0.846 40 Q CB -0.357 28.616 28.738 0.392 0.000 0.902 40 Q HN 0.428 nan 8.270 nan 0.000 0.421 41 D N -0.304 120.153 120.400 0.096 0.000 2.144 41 D HA -0.094 4.545 4.640 -0.001 0.000 0.200 41 D C 1.851 178.099 176.300 -0.087 0.000 0.978 41 D CA 1.306 55.336 54.000 0.051 0.000 0.833 41 D CB -0.504 40.337 40.800 0.069 0.000 0.961 41 D HN 0.373 nan 8.370 nan 0.000 0.470 42 G N 0.798 109.514 108.800 -0.140 0.000 2.418 42 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.217 42 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.217 42 G C 1.568 176.302 174.900 -0.278 0.000 1.158 42 G CA 0.503 45.488 45.100 -0.192 0.000 0.771 42 G HN 0.240 nan 8.290 nan 0.000 0.545 43 L N 0.781 121.754 121.223 -0.416 0.000 2.056 43 L HA 0.131 4.470 4.340 -0.001 0.000 0.207 43 L C 2.623 179.316 176.870 -0.295 0.000 1.078 43 L CA 2.314 56.916 54.840 -0.396 0.000 0.749 43 L CB -0.601 41.163 42.059 -0.491 0.000 0.901 43 L HN 0.244 nan 8.230 nan 0.000 0.433 44 K N -0.341 119.884 120.400 -0.292 0.000 2.063 44 K HA -0.283 4.036 4.320 -0.001 0.000 0.208 44 K C 2.323 178.764 176.600 -0.265 0.000 1.048 44 K CA 1.957 58.044 56.287 -0.333 0.000 0.928 44 K CB -0.155 32.078 32.500 -0.444 0.000 0.713 44 K HN 0.342 nan 8.250 nan 0.000 0.442 45 K N 0.763 121.033 120.400 -0.217 0.000 2.057 45 K HA -0.165 4.154 4.320 -0.001 0.000 0.206 45 K C 1.760 178.241 176.600 -0.198 0.000 1.050 45 K CA 1.669 57.848 56.287 -0.179 0.000 0.935 45 K CB 0.042 32.459 32.500 -0.139 0.000 0.715 45 K HN 0.215 nan 8.250 nan 0.000 0.439 46 E N 0.493 120.557 120.200 -0.227 0.000 2.058 46 E HA -0.217 4.133 4.350 -0.001 0.000 0.194 46 E C 2.036 178.440 176.600 -0.326 0.000 0.997 46 E CA 1.689 57.929 56.400 -0.267 0.000 0.801 46 E CB -0.147 29.379 29.700 -0.291 0.000 0.746 46 E HN 0.365 nan 8.360 nan 0.000 0.450 47 I N 1.016 121.394 120.570 -0.319 0.000 2.252 47 I HA -0.249 3.920 4.170 -0.001 0.000 0.245 47 I C 2.246 178.218 176.117 -0.242 0.000 1.102 47 I CA 1.164 62.270 61.300 -0.323 0.000 1.385 47 I CB -0.232 37.614 38.000 -0.257 0.000 1.064 47 I HN 0.081 nan 8.210 nan 0.000 0.414 48 E N 0.657 120.734 120.200 -0.206 0.000 2.118 48 E HA -0.236 4.113 4.350 -0.001 0.000 0.195 48 E C 1.127 177.644 176.600 -0.139 0.000 0.992 48 E CA 1.314 57.621 56.400 -0.156 0.000 0.804 48 E CB -0.029 29.582 29.700 -0.147 0.000 0.741 48 E HN 0.457 nan 8.360 nan 0.000 0.458 49 D N 0.100 120.403 120.400 -0.162 0.000 2.339 49 D HA -0.008 4.631 4.640 -0.001 0.000 0.217 49 D C 0.454 176.666 176.300 -0.147 0.000 1.050 49 D CA 0.193 54.112 54.000 -0.136 0.000 0.856 49 D CB 0.122 40.843 40.800 -0.131 0.000 0.922 49 D HN 0.044 nan 8.370 nan 0.000 0.518 50 S N 0.490 116.065 115.700 -0.208 0.000 2.614 50 S HA 0.409 4.879 4.470 -0.001 0.000 0.265 50 S C 0.079 174.643 174.600 -0.060 0.000 1.303 50 S CA -0.653 57.404 58.200 -0.239 0.000 1.000 50 S CB 1.475 64.320 63.200 -0.593 0.000 0.935 50 S HN 0.078 nan 8.310 nan 0.000 0.551 51 Q N -0.758 119.082 119.800 0.066 0.000 2.456 51 Q HA 0.602 4.941 4.340 -0.001 0.000 0.283 51 Q C -2.807 173.258 176.000 0.107 0.000 1.084 51 Q CA -1.775 54.076 55.803 0.081 0.000 0.801 51 Q CB 1.242 30.003 28.738 0.039 0.000 1.434 51 Q HN 0.366 nan 8.270 nan 0.000 0.419 52 P HA 0.064 nan 4.420 nan 0.000 0.240 52 P C -0.942 176.439 177.300 0.134 0.000 1.190 52 P CA 0.792 63.910 63.100 0.031 0.000 0.781 52 P CB 0.072 31.817 31.700 0.075 0.000 0.931 53 Y N -2.712 117.655 120.300 0.111 0.000 2.615 53 Y HA 0.538 5.087 4.550 -0.001 0.000 0.341 53 Y C -0.265 175.732 175.900 0.162 0.000 1.089 53 Y CA -1.903 56.245 58.100 0.079 0.000 1.049 53 Y CB -0.257 38.239 38.460 0.060 0.000 1.296 53 Y HN -0.366 nan 8.280 nan 0.000 0.470 54 N N 3.251 122.111 118.700 0.266 0.000 2.440 54 N HA 0.044 4.783 4.740 -0.001 0.000 0.265 54 N C -0.951 174.710 175.510 0.252 0.000 1.239 54 N CA 0.364 53.498 53.050 0.140 0.000 0.909 54 N CB 0.217 38.741 38.487 0.062 0.000 1.066 54 N HN 0.840 nan 8.380 nan 0.000 0.474 55 W N 0.241 121.467 121.300 -0.123 0.000 3.075 55 W HA 0.715 5.375 4.660 -0.001 0.000 0.334 55 W C -0.900 175.421 176.519 -0.329 0.000 1.243 55 W CA -1.160 56.090 57.345 -0.158 0.000 1.170 55 W CB 0.754 30.091 29.460 -0.206 0.000 1.452 55 W HN 0.411 nan 8.180 nan 0.000 0.572 56 G N 0.153 108.578 108.800 -0.625 0.000 2.672 56 G HA2 0.579 4.538 3.960 -0.001 0.000 0.292 56 G HA3 0.579 4.538 3.960 -0.001 0.000 0.292 56 G C -1.865 172.423 174.900 -1.020 0.000 1.375 56 G CA -0.739 43.718 45.100 -1.071 0.000 0.890 56 G HN 0.592 nan 8.290 nan 0.000 0.476 57 T N -0.467 113.808 114.554 -0.464 0.000 2.933 57 T HA 0.642 4.991 4.350 -0.001 0.000 0.305 57 T C -1.347 173.509 174.700 0.260 0.000 1.092 57 T CA -0.422 61.698 62.100 0.032 0.000 1.008 57 T CB 1.107 70.093 68.868 0.197 0.000 1.102 57 T HN 0.427 nan 8.240 nan 0.000 0.469 58 I N 5.687 126.515 120.570 0.430 0.000 2.466 58 I HA 0.428 4.597 4.170 -0.001 0.000 0.289 58 I C 0.228 176.494 176.117 0.247 0.000 1.026 58 I CA -1.084 60.417 61.300 0.335 0.000 1.078 58 I CB 1.746 39.990 38.000 0.407 0.000 1.249 58 I HN 0.703 nan 8.210 nan 0.000 0.429 59 H N 4.777 123.968 119.070 0.203 0.000 2.472 59 H HA 0.393 4.948 4.556 -0.001 0.000 0.335 59 H C -0.595 174.792 175.328 0.098 0.000 1.136 59 H CA -0.521 55.614 56.048 0.144 0.000 1.264 59 H CB 1.251 31.088 29.762 0.126 0.000 1.486 59 H HN 0.714 nan 8.280 nan 0.000 0.517 60 E N 0.961 121.294 120.200 0.221 0.000 2.252 60 E HA -0.237 4.113 4.350 -0.001 0.000 0.218 60 E C 0.658 177.271 176.600 0.020 0.000 1.253 60 E CA 0.417 56.892 56.400 0.125 0.000 0.705 60 E CB -0.898 28.912 29.700 0.183 0.000 1.172 60 E HN 0.572 nan 8.360 nan 0.000 0.369 61 L N -0.470 120.763 121.223 0.016 0.000 2.027 61 L HA -0.035 4.304 4.340 -0.001 0.000 0.206 61 L C 0.835 177.726 176.870 0.034 0.000 1.074 61 L CA 1.678 56.529 54.840 0.019 0.000 0.745 61 L CB 0.358 42.448 42.059 0.052 0.000 0.898 61 L HN 0.148 nan 8.230 nan 0.000 0.433 62 V N 0.033 119.914 119.914 -0.054 0.000 2.834 62 V HA 0.224 4.343 4.120 -0.001 0.000 0.313 62 V C -0.025 176.007 176.094 -0.104 0.000 1.060 62 V CA -0.957 61.246 62.300 -0.161 0.000 0.989 62 V CB 1.329 33.000 31.823 -0.254 0.000 1.041 62 V HN 0.401 nan 8.190 nan 0.000 0.459 63 N N 1.496 120.118 118.700 -0.130 0.000 2.294 63 N HA -0.119 4.620 4.740 -0.001 0.000 0.263 63 N C 0.838 176.345 175.510 -0.005 0.000 1.281 63 N CA 0.608 53.626 53.050 -0.053 0.000 0.846 63 N CB 0.389 38.836 38.487 -0.067 0.000 1.061 63 N HN 0.810 nan 8.380 nan 0.000 0.478 64 D N 2.490 122.921 120.400 0.052 0.000 2.117 64 D HA -0.170 4.469 4.640 -0.001 0.000 0.197 64 D C 0.704 177.089 176.300 0.141 0.000 0.987 64 D CA 1.371 55.454 54.000 0.138 0.000 0.829 64 D CB 0.135 41.025 40.800 0.149 0.000 0.961 64 D HN 0.602 nan 8.370 nan 0.000 0.460 65 D N -0.285 120.162 120.400 0.078 0.000 2.117 65 D HA -0.144 4.496 4.640 -0.001 0.000 0.197 65 D C 2.058 178.395 176.300 0.062 0.000 0.987 65 D CA 0.474 54.512 54.000 0.063 0.000 0.829 65 D CB -0.405 40.417 40.800 0.036 0.000 0.961 65 D HN 0.241 nan 8.370 nan 0.000 0.460 66 L N 0.426 121.669 121.223 0.033 0.000 1.994 66 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 66 L C 2.108 179.004 176.870 0.042 0.000 1.071 66 L CA 1.415 56.263 54.840 0.012 0.000 0.745 66 L CB -0.744 41.286 42.059 -0.049 0.000 0.892 66 L HN -0.001 nan 8.230 nan 0.000 0.431 67 L N -0.492 120.765 121.223 0.055 0.000 2.093 67 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 67 L C 2.694 179.739 176.870 0.291 0.000 1.085 67 L CA 1.521 56.409 54.840 0.081 0.000 0.755 67 L CB -0.544 41.454 42.059 -0.101 0.000 0.904 67 L HN 0.236 nan 8.230 nan 0.000 0.435 68 R N -0.934 119.780 120.500 0.357 0.000 2.096 68 R HA -0.123 4.217 4.340 -0.001 0.000 0.235 68 R C 2.220 178.608 176.300 0.147 0.000 1.127 68 R CA 1.271 57.525 56.100 0.256 0.000 0.968 68 R CB -0.560 29.812 30.300 0.120 0.000 0.861 68 R HN 0.483 nan 8.270 nan 0.000 0.440 69 A N 0.495 123.380 122.820 0.109 0.000 1.930 69 A HA -0.080 4.239 4.320 -0.001 0.000 0.217 69 A C 2.312 179.944 177.584 0.081 0.000 1.175 69 A CA 1.092 53.174 52.037 0.075 0.000 0.627 69 A CB -0.351 18.681 19.000 0.053 0.000 0.815 69 A HN 0.107 nan 8.150 nan 0.000 0.443 70 V N 0.138 120.108 119.914 0.093 0.000 2.295 70 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 70 V C 2.646 178.809 176.094 0.115 0.000 1.049 70 V CA 2.314 64.669 62.300 0.091 0.000 1.024 70 V CB -0.800 31.069 31.823 0.076 0.000 0.648 70 V HN 0.703 nan 8.190 nan 0.000 0.447 71 R N 0.091 120.686 120.500 0.159 0.000 2.091 71 R HA -0.187 4.152 4.340 -0.001 0.000 0.238 71 R C 2.410 178.785 176.300 0.125 0.000 1.136 71 R CA 1.516 57.720 56.100 0.174 0.000 0.959 71 R CB -0.155 30.293 30.300 0.247 0.000 0.856 71 R HN 0.314 nan 8.270 nan 0.000 0.437 72 K N 0.765 121.224 120.400 0.098 0.000 2.057 72 K HA -0.146 4.173 4.320 -0.001 0.000 0.207 72 K C 1.967 178.605 176.600 0.063 0.000 1.049 72 K CA 1.604 57.933 56.287 0.069 0.000 0.931 72 K CB -0.163 32.367 32.500 0.050 0.000 0.714 72 K HN 0.437 nan 8.250 nan 0.000 0.440 73 E N 0.540 120.776 120.200 0.061 0.000 2.077 73 E HA -0.137 4.212 4.350 -0.001 0.000 0.193 73 E C 2.158 178.786 176.600 0.047 0.000 0.989 73 E CA 0.930 57.357 56.400 0.044 0.000 0.800 73 E CB -0.168 29.555 29.700 0.038 0.000 0.746 73 E HN 0.236 nan 8.360 nan 0.000 0.452 74 I N 1.220 121.837 120.570 0.079 0.000 2.179 74 I HA -0.280 3.890 4.170 -0.001 0.000 0.242 74 I C 2.252 178.456 176.117 0.144 0.000 1.088 74 I CA 1.301 62.669 61.300 0.113 0.000 1.357 74 I CB -0.243 37.871 38.000 0.190 0.000 1.051 74 I HN 0.101 nan 8.210 nan 0.000 0.409 75 E N 0.052 120.336 120.200 0.139 0.000 2.110 75 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 75 E C 2.077 178.734 176.600 0.094 0.000 0.988 75 E CA 1.779 58.259 56.400 0.132 0.000 0.804 75 E CB -0.061 29.694 29.700 0.091 0.000 0.745 75 E HN 0.476 nan 8.360 nan 0.000 0.458 76 T N 0.498 115.089 114.554 0.061 0.000 2.978 76 T HA -0.012 4.337 4.350 -0.001 0.000 0.262 76 T C 1.336 176.049 174.700 0.021 0.000 1.063 76 T CA 0.706 62.828 62.100 0.038 0.000 1.140 76 T CB 0.153 69.037 68.868 0.026 0.000 0.886 76 T HN 0.046 nan 8.240 nan 0.000 0.470 77 E N 0.083 120.287 120.200 0.006 0.000 2.465 77 E HA 0.298 4.647 4.350 -0.001 0.000 0.209 77 E C 0.274 176.830 176.600 -0.072 0.000 0.951 77 E CA 0.101 56.482 56.400 -0.031 0.000 0.997 77 E CB 0.948 30.623 29.700 -0.041 0.000 1.025 77 E HN 0.463 nan 8.360 nan 0.000 0.500 78 I N 1.304 121.817 120.570 -0.094 0.000 2.404 78 I HA 0.202 4.372 4.170 -0.001 0.000 0.293 78 I C -0.418 175.558 176.117 -0.236 0.000 0.992 78 I CA -0.901 60.247 61.300 -0.254 0.000 1.149 78 I CB 1.362 39.090 38.000 -0.454 0.000 1.315 78 I HN -0.108 nan 8.210 nan 0.000 0.446 79 H N 6.183 125.061 119.070 -0.319 0.000 2.476 79 H HA 0.506 5.061 4.556 -0.001 0.000 0.328 79 H C -1.393 173.765 175.328 -0.283 0.000 1.073 79 H CA -0.351 55.589 56.048 -0.179 0.000 1.229 79 H CB 0.790 30.507 29.762 -0.075 0.000 1.432 79 H HN 0.265 nan 8.280 nan 0.000 0.477 80 F N 2.664 122.347 119.950 -0.445 0.000 2.397 80 F HA 0.396 4.922 4.527 -0.001 0.000 0.331 80 F C 0.561 176.125 175.800 -0.394 0.000 1.090 80 F CA -0.408 57.413 58.000 -0.298 0.000 1.065 80 F CB 1.843 40.750 39.000 -0.155 0.000 1.184 80 F HN 0.419 nan 8.300 nan 0.000 0.499 81 T N 2.295 116.852 114.554 0.004 0.000 2.841 81 T HA 0.198 4.547 4.350 -0.001 0.000 0.285 81 T C -0.544 174.183 174.700 0.046 0.000 0.991 81 T CA -1.004 61.103 62.100 0.012 0.000 0.966 81 T CB 1.265 70.161 68.868 0.047 0.000 0.962 81 T HN 0.462 nan 8.240 nan 0.000 0.438 82 K N 3.028 123.452 120.400 0.040 0.000 2.447 82 K HA 0.134 4.453 4.320 -0.001 0.000 0.281 82 K C -0.294 176.344 176.600 0.063 0.000 1.031 82 K CA 0.158 56.468 56.287 0.039 0.000 1.019 82 K CB 0.402 32.927 32.500 0.043 0.000 0.918 82 K HN 0.494 nan 8.250 nan 0.000 0.476 83 K N 3.718 124.168 120.400 0.083 0.000 2.426 83 K HA 0.155 4.475 4.320 -0.001 0.000 0.254 83 K C -1.595 175.095 176.600 0.150 0.000 0.936 83 K CA -0.623 55.744 56.287 0.132 0.000 0.801 83 K CB 1.517 34.136 32.500 0.199 0.000 1.139 83 K HN 0.673 nan 8.250 nan 0.000 0.424 84 E N 2.754 122.991 120.200 0.061 0.000 2.210 84 E HA 0.351 4.700 4.350 -0.001 0.000 0.266 84 E C -1.115 175.400 176.600 -0.141 0.000 0.883 84 E CA -0.595 55.798 56.400 -0.010 0.000 0.761 84 E CB 1.560 31.324 29.700 0.106 0.000 1.156 84 E HN 0.747 nan 8.360 nan 0.000 0.412 85 T N 0.135 114.450 114.554 -0.398 0.000 2.742 85 T HA 0.209 4.558 4.350 -0.001 0.000 0.282 85 T C 0.801 175.307 174.700 -0.323 0.000 1.025 85 T CA -0.157 61.700 62.100 -0.404 0.000 1.020 85 T CB 0.785 69.216 68.868 -0.728 0.000 1.317 85 T HN 0.484 nan 8.240 nan 0.000 0.538 86 D N 0.171 120.265 120.400 -0.511 0.000 2.144 86 D HA -0.098 4.541 4.640 -0.001 0.000 0.199 86 D C 1.561 177.637 176.300 -0.375 0.000 0.984 86 D CA 1.027 54.567 54.000 -0.767 0.000 0.834 86 D CB -0.291 39.645 40.800 -1.440 0.000 0.955 86 D HN 0.539 nan 8.370 nan 0.000 0.465 87 I N -1.253 119.105 120.570 -0.354 0.000 3.783 87 I HA 0.097 4.267 4.170 -0.001 0.000 0.310 87 I C -0.293 175.780 176.117 -0.074 0.000 1.274 87 I CA -0.094 61.080 61.300 -0.209 0.000 1.294 87 I CB 0.207 38.126 38.000 -0.135 0.000 1.051 87 I HN 0.027 nan 8.210 nan 0.000 0.435 88 Y N -1.209 119.005 120.300 -0.143 0.000 2.670 88 Y HA 0.587 5.136 4.550 -0.001 0.000 0.334 88 Y C -0.916 174.737 175.900 -0.413 0.000 1.185 88 Y CA -1.460 56.448 58.100 -0.320 0.000 1.053 88 Y CB 0.640 38.957 38.460 -0.239 0.000 1.298 88 Y HN -0.257 nan 8.280 nan 0.000 0.459 89 R N 2.456 122.700 120.500 -0.427 0.000 2.502 89 R HA 0.711 5.051 4.340 -0.001 0.000 0.298 89 R C -2.111 174.064 176.300 -0.208 0.000 1.018 89 R CA -0.742 55.276 56.100 -0.137 0.000 0.899 89 R CB 2.056 32.302 30.300 -0.090 0.000 1.181 89 R HN 1.021 nan 8.270 nan 0.000 0.444 90 V N 0.724 120.546 119.914 -0.152 0.000 3.049 90 V HA 0.571 4.690 4.120 -0.001 0.000 0.309 90 V C -1.160 174.795 176.094 -0.231 0.000 1.148 90 V CA -1.278 60.750 62.300 -0.452 0.000 0.990 90 V CB 2.392 33.793 31.823 -0.703 0.000 1.039 90 V HN 0.671 nan 8.190 nan 0.000 0.430 91 N N 2.935 121.483 118.700 -0.252 0.000 2.420 91 N HA 0.418 5.157 4.740 -0.001 0.000 0.249 91 N C -0.543 174.996 175.510 0.050 0.000 1.033 91 N CA -0.136 52.867 53.050 -0.079 0.000 0.944 91 N CB 1.505 39.927 38.487 -0.108 0.000 1.113 91 N HN 0.808 nan 8.380 nan 0.000 0.502 92 Q N 0.021 119.892 119.800 0.118 0.000 2.241 92 Q HA 0.470 4.809 4.340 -0.001 0.000 0.262 92 Q C 0.272 176.374 176.000 0.170 0.000 1.014 92 Q CA -0.657 55.235 55.803 0.148 0.000 0.885 92 Q CB 1.471 30.237 28.738 0.047 0.000 1.311 92 Q HN 0.655 nan 8.270 nan 0.000 0.461 93 S N -1.967 113.786 115.700 0.089 0.000 2.900 93 S HA 0.213 4.682 4.470 -0.001 0.000 0.253 93 S C 0.735 175.308 174.600 -0.045 0.000 1.029 93 S CA -0.143 57.996 58.200 -0.102 0.000 1.096 93 S CB 0.502 63.498 63.200 -0.340 0.000 1.067 93 S HN 0.710 nan 8.310 nan 0.000 0.610 94 G N 2.899 111.721 108.800 0.036 0.000 3.518 94 G HA2 0.190 4.149 3.960 -0.001 0.000 0.273 94 G HA3 0.190 4.149 3.960 -0.001 0.000 0.273 94 G C 0.077 175.009 174.900 0.054 0.000 1.199 94 G CA -0.412 44.731 45.100 0.071 0.000 0.899 94 G HN 0.696 nan 8.290 nan 0.000 0.533 95 D N 0.204 120.619 120.400 0.025 0.000 2.455 95 D HA -0.060 4.579 4.640 -0.001 0.000 0.241 95 D C 1.444 177.759 176.300 0.026 0.000 1.138 95 D CA -0.673 53.344 54.000 0.028 0.000 0.877 95 D CB 1.743 42.555 40.800 0.020 0.000 1.187 95 D HN -0.040 nan 8.370 nan 0.000 0.451 96 L N 3.493 124.735 121.223 0.032 0.000 2.043 96 L HA -0.171 4.168 4.340 -0.001 0.000 0.212 96 L C 2.316 179.198 176.870 0.020 0.000 1.075 96 L CA 2.441 57.300 54.840 0.031 0.000 0.752 96 L CB -0.838 41.239 42.059 0.029 0.000 0.891 96 L HN 0.689 nan 8.230 nan 0.000 0.432 97 A N -1.152 121.675 122.820 0.012 0.000 2.235 97 A HA -0.010 4.310 4.320 -0.001 0.000 0.208 97 A C 0.866 178.445 177.584 -0.008 0.000 1.172 97 A CA 0.604 52.644 52.037 0.004 0.000 0.786 97 A CB -0.547 18.455 19.000 0.004 0.000 0.804 97 A HN 0.699 nan 8.150 nan 0.000 0.479 98 N N -1.295 117.396 118.700 -0.015 0.000 2.725 98 N HA -0.180 4.559 4.740 -0.001 0.000 0.249 98 N C 0.569 176.049 175.510 -0.049 0.000 1.103 98 N CA 1.067 54.091 53.050 -0.043 0.000 0.707 98 N CB -1.884 36.573 38.487 -0.050 0.000 1.043 98 N HN 0.579 nan 8.380 nan 0.000 0.553 99 L N 0.020 121.224 121.223 -0.031 0.000 2.362 99 L HA -0.098 4.242 4.340 -0.001 0.000 0.219 99 L C 2.330 179.183 176.870 -0.029 0.000 1.134 99 L CA 1.511 56.336 54.840 -0.025 0.000 0.807 99 L CB -0.370 41.686 42.059 -0.005 0.000 0.927 99 L HN 0.355 nan 8.230 nan 0.000 0.447 100 S N -0.552 115.117 115.700 -0.052 0.000 2.447 100 S HA -0.013 4.456 4.470 -0.001 0.000 0.233 100 S C 1.714 176.234 174.600 -0.133 0.000 1.006 100 S CA 0.785 58.930 58.200 -0.093 0.000 0.957 100 S CB 0.064 63.156 63.200 -0.181 0.000 0.773 100 S HN 0.559 nan 8.310 nan 0.000 0.507 101 G N 0.109 108.834 108.800 -0.125 0.000 2.213 101 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.226 101 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.226 101 G C -0.202 174.583 174.900 -0.192 0.000 0.992 101 G CA 0.056 45.075 45.100 -0.135 0.000 0.632 101 G HN 0.726 nan 8.290 nan 0.000 0.511 102 L N 1.954 123.025 121.223 -0.254 0.000 2.255 102 L HA 0.779 5.118 4.340 -0.001 0.000 0.289 102 L C -0.914 175.741 176.870 -0.358 0.000 1.046 102 L CA -0.899 53.709 54.840 -0.386 0.000 0.816 102 L CB 1.432 43.199 42.059 -0.486 0.000 1.197 102 L HN 0.129 nan 8.230 nan 0.000 0.427 103 D N 3.649 123.845 120.400 -0.339 0.000 2.473 103 D HA 0.156 4.796 4.640 -0.001 0.000 0.253 103 D C 0.143 176.351 176.300 -0.154 0.000 1.233 103 D CA -0.328 53.557 54.000 -0.191 0.000 0.908 103 D CB 0.575 41.324 40.800 -0.085 0.000 1.170 103 D HN 0.562 nan 8.370 nan 0.000 0.558 104 W N 1.943 123.248 121.300 0.008 0.000 2.525 104 W HA -0.014 4.645 4.660 -0.001 0.000 0.259 104 W C 1.284 177.815 176.519 0.021 0.000 1.253 104 W CA -0.076 57.274 57.345 0.009 0.000 1.262 104 W CB 0.470 29.922 29.460 -0.013 0.000 1.122 104 W HN 0.372 nan 8.180 nan 0.000 0.607 105 D N -0.977 119.543 120.400 0.200 0.000 2.348 105 D HA -0.049 4.591 4.640 -0.001 0.000 0.211 105 D C -0.043 176.322 176.300 0.109 0.000 0.998 105 D CA 1.224 55.306 54.000 0.137 0.000 0.873 105 D CB 0.145 40.999 40.800 0.090 0.000 0.925 105 D HN 0.026 nan 8.370 nan 0.000 0.524 106 D N 0.281 120.731 120.400 0.083 0.000 2.411 106 D HA 0.110 4.749 4.640 -0.001 0.000 0.239 106 D C -0.238 176.077 176.300 0.026 0.000 1.307 106 D CA -0.293 53.737 54.000 0.049 0.000 0.930 106 D CB 0.243 41.050 40.800 0.013 0.000 1.395 106 D HN -0.092 nan 8.370 nan 0.000 0.536 107 L N 2.105 123.377 121.223 0.081 0.000 2.805 107 L HA 0.174 4.513 4.340 -0.001 0.000 0.237 107 L C 1.825 178.704 176.870 0.015 0.000 1.252 107 L CA -0.156 54.719 54.840 0.059 0.000 1.064 107 L CB -0.033 42.146 42.059 0.201 0.000 1.361 107 L HN 0.164 nan 8.230 nan 0.000 0.474 108 S N 0.427 116.116 115.700 -0.019 0.000 2.380 108 S HA -0.185 4.284 4.470 -0.001 0.000 0.229 108 S C 1.942 176.520 174.600 -0.036 0.000 1.043 108 S CA 1.533 59.708 58.200 -0.042 0.000 1.038 108 S CB -0.116 63.060 63.200 -0.040 0.000 0.872 108 S HN 0.530 nan 8.310 nan 0.000 0.456 109 R N -0.003 120.477 120.500 -0.034 0.000 2.310 109 R HA 0.194 4.533 4.340 -0.001 0.000 0.202 109 R C -0.504 175.783 176.300 -0.021 0.000 0.933 109 R CA 0.336 56.418 56.100 -0.031 0.000 1.054 109 R CB 0.063 30.340 30.300 -0.038 0.000 0.985 109 R HN 0.263 nan 8.270 nan 0.000 0.489 110 L N 0.995 122.211 121.223 -0.011 0.000 2.678 110 L HA 0.259 4.598 4.340 -0.001 0.000 0.250 110 L C -1.823 175.087 176.870 0.066 0.000 1.455 110 L CA -1.136 53.712 54.840 0.013 0.000 0.823 110 L CB 1.568 43.616 42.059 -0.018 0.000 1.107 110 L HN -0.175 nan 8.230 nan 0.000 0.514 111 P HA -0.116 nan 4.420 nan 0.000 0.218 111 P C 0.710 178.086 177.300 0.127 0.000 1.149 111 P CA 1.356 64.494 63.100 0.063 0.000 0.817 111 P CB 0.339 32.036 31.700 -0.005 0.000 0.785 112 N N -0.328 118.426 118.700 0.090 0.000 2.216 112 N HA -0.095 4.644 4.740 -0.001 0.000 0.183 112 N C 1.758 177.333 175.510 0.108 0.000 1.017 112 N CA 0.376 53.478 53.050 0.087 0.000 0.861 112 N CB -0.785 37.737 38.487 0.057 0.000 0.986 112 N HN 0.020 nan 8.380 nan 0.000 0.428 113 L N 0.136 121.431 121.223 0.119 0.000 2.046 113 L HA -0.037 4.303 4.340 -0.001 0.000 0.208 113 L C 1.777 178.763 176.870 0.193 0.000 1.077 113 L CA 1.406 56.330 54.840 0.139 0.000 0.747 113 L CB -0.717 41.408 42.059 0.110 0.000 0.896 113 L HN 0.146 nan 8.230 nan 0.000 0.432 114 F N 0.572 120.572 119.950 0.083 0.000 2.091 114 F HA -0.324 4.202 4.527 -0.001 0.000 0.299 114 F C 2.532 178.375 175.800 0.072 0.000 1.103 114 F CA 2.270 60.327 58.000 0.095 0.000 1.228 114 F CB -0.184 38.852 39.000 0.060 0.000 0.984 114 F HN 0.113 nan 8.300 nan 0.000 0.477 115 K N 0.590 121.172 120.400 0.303 0.000 2.057 115 K HA -0.188 4.131 4.320 -0.001 0.000 0.207 115 K C 1.911 178.512 176.600 0.001 0.000 1.049 115 K CA 1.662 58.046 56.287 0.161 0.000 0.931 115 K CB -0.902 31.672 32.500 0.124 0.000 0.714 115 K HN 0.373 nan 8.250 nan 0.000 0.440 116 L N 1.191 122.410 121.223 -0.006 0.000 2.012 116 L HA -0.098 4.241 4.340 -0.001 0.000 0.210 116 L C 2.413 179.248 176.870 -0.058 0.000 1.073 116 L CA 1.926 56.724 54.840 -0.069 0.000 0.748 116 L CB -0.663 41.377 42.059 -0.031 0.000 0.891 116 L HN 0.264 nan 8.230 nan 0.000 0.431 117 R N -0.925 119.569 120.500 -0.010 0.000 2.081 117 R HA -0.236 4.103 4.340 -0.001 0.000 0.235 117 R C 2.411 178.719 176.300 0.014 0.000 1.131 117 R CA 1.932 58.047 56.100 0.023 0.000 0.960 117 R CB -0.373 29.906 30.300 -0.035 0.000 0.856 117 R HN 0.633 nan 8.270 nan 0.000 0.436 118 Q N 0.816 120.534 119.800 -0.137 0.000 2.061 118 Q HA -0.186 4.153 4.340 -0.001 0.000 0.204 118 Q C 2.219 178.245 176.000 0.043 0.000 0.984 118 Q CA 2.329 58.079 55.803 -0.088 0.000 0.846 118 Q CB -0.256 28.412 28.738 -0.116 0.000 0.902 118 Q HN 0.659 nan 8.270 nan 0.000 0.421 119 I N -2.323 118.251 120.570 0.007 0.000 2.353 119 I HA -0.176 3.994 4.170 -0.001 0.000 0.248 119 I C 1.921 178.140 176.117 0.170 0.000 1.119 119 I CA 0.972 62.317 61.300 0.075 0.000 1.417 119 I CB -0.335 37.569 38.000 -0.160 0.000 1.078 119 I HN 0.139 nan 8.210 nan 0.000 0.421 120 L N -0.263 120.945 121.223 -0.026 0.000 2.141 120 L HA -0.130 4.209 4.340 -0.001 0.000 0.209 120 L C 1.698 178.487 176.870 -0.136 0.000 1.094 120 L CA 1.407 56.084 54.840 -0.272 0.000 0.763 120 L CB -0.426 41.337 42.059 -0.494 0.000 0.908 120 L HN 0.274 nan 8.230 nan 0.000 0.437 121 Y N -0.686 119.672 120.300 0.096 0.000 2.524 121 Y HA 0.111 4.660 4.550 -0.001 0.000 0.266 121 Y C 1.591 177.591 175.900 0.166 0.000 1.180 121 Y CA -0.653 57.559 58.100 0.187 0.000 1.244 121 Y CB 0.002 38.508 38.460 0.076 0.000 1.125 121 Y HN 0.060 nan 8.280 nan 0.000 0.524 122 S N -0.243 115.616 115.700 0.266 0.000 2.573 122 S HA -0.018 4.452 4.470 -0.001 0.000 0.277 122 S C 1.497 176.213 174.600 0.193 0.000 1.346 122 S CA -0.560 57.769 58.200 0.213 0.000 1.034 122 S CB 1.296 64.631 63.200 0.225 0.000 0.879 122 S HN 0.489 nan 8.310 nan 0.000 0.528 123 K N 1.172 121.651 120.400 0.132 0.000 2.063 123 K HA -0.238 4.081 4.320 -0.001 0.000 0.208 123 K C 2.129 178.785 176.600 0.093 0.000 1.048 123 K CA 1.913 58.256 56.287 0.094 0.000 0.928 123 K CB -0.350 32.184 32.500 0.056 0.000 0.713 123 K HN 0.738 nan 8.250 nan 0.000 0.442 124 Q N -0.618 119.238 119.800 0.092 0.000 2.061 124 Q HA -0.211 4.128 4.340 -0.001 0.000 0.204 124 Q C 1.913 178.084 176.000 0.286 0.000 0.984 124 Q CA 2.246 58.095 55.803 0.077 0.000 0.846 124 Q CB -0.432 28.241 28.738 -0.109 0.000 0.902 124 Q HN 0.452 nan 8.270 nan 0.000 0.421 125 Y N 0.667 121.080 120.300 0.189 0.000 2.220 125 Y HA -0.123 4.427 4.550 -0.001 0.000 0.291 125 Y C 2.072 177.975 175.900 0.006 0.000 1.129 125 Y CA 1.279 59.416 58.100 0.061 0.000 1.161 125 Y CB 0.189 38.554 38.460 -0.158 0.000 0.997 125 Y HN -0.064 nan 8.280 nan 0.000 0.522 126 R N 0.050 120.561 120.500 0.018 0.000 2.096 126 R HA -0.170 4.169 4.340 -0.001 0.000 0.235 126 R C 1.651 177.877 176.300 -0.123 0.000 1.127 126 R CA 1.601 57.621 56.100 -0.133 0.000 0.968 126 R CB -0.320 29.970 30.300 -0.016 0.000 0.861 126 R HN 0.390 nan 8.270 nan 0.000 0.440 127 D N 0.162 120.551 120.400 -0.018 0.000 2.117 127 D HA -0.170 4.469 4.640 -0.001 0.000 0.197 127 D C 1.539 177.844 176.300 0.009 0.000 0.987 127 D CA 0.962 54.963 54.000 0.000 0.000 0.829 127 D CB -0.285 40.535 40.800 0.033 0.000 0.961 127 D HN 0.109 nan 8.370 nan 0.000 0.460 128 F N 0.665 120.543 119.950 -0.119 0.000 2.075 128 F HA -0.200 4.326 4.527 -0.001 0.000 0.297 128 F C 2.076 177.747 175.800 -0.216 0.000 1.113 128 F CA 1.111 59.016 58.000 -0.158 0.000 1.218 128 F CB -0.543 38.272 39.000 -0.308 0.000 0.984 128 F HN -0.146 nan 8.300 nan 0.000 0.472 129 F N 1.305 120.647 119.950 -1.014 0.000 2.146 129 F HA 0.087 4.613 4.527 -0.001 0.000 0.298 129 F C 2.544 177.890 175.800 -0.756 0.000 1.096 129 F CA 1.488 58.766 58.000 -1.203 0.000 1.275 129 F CB -1.175 37.117 39.000 -1.179 0.000 1.008 129 F HN 0.066 nan 8.300 nan 0.000 0.480 130 G N -1.622 106.928 108.800 -0.418 0.000 2.422 130 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.218 130 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.218 130 G C 1.615 176.358 174.900 -0.263 0.000 1.146 130 G CA 0.922 45.832 45.100 -0.317 0.000 0.769 130 G HN 0.455 nan 8.290 nan 0.000 0.547 131 Y N 1.963 122.059 120.300 -0.341 0.000 2.114 131 Y HA -0.176 4.374 4.550 -0.001 0.000 0.284 131 Y C 2.845 178.552 175.900 -0.322 0.000 1.143 131 Y CA 2.126 60.063 58.100 -0.271 0.000 1.135 131 Y CB -0.580 37.761 38.460 -0.199 0.000 0.980 131 Y HN 0.124 nan 8.280 nan 0.000 0.499 132 V N -1.516 118.019 119.914 -0.631 0.000 2.626 132 V HA -0.153 3.966 4.120 -0.001 0.000 0.252 132 V C 1.846 177.625 176.094 -0.525 0.000 1.067 132 V CA 2.311 64.210 62.300 -0.668 0.000 1.081 132 V CB -1.740 29.719 31.823 -0.606 0.000 0.686 132 V HN 0.621 nan 8.190 nan 0.000 0.468 133 T N -3.435 110.808 114.554 -0.519 0.000 3.107 133 T HA 0.195 4.544 4.350 -0.001 0.000 0.249 133 T C 0.892 175.428 174.700 -0.273 0.000 1.096 133 T CA 0.290 62.174 62.100 -0.360 0.000 1.012 133 T CB -0.449 68.166 68.868 -0.421 0.000 0.977 133 T HN 0.590 nan 8.240 nan 0.000 0.527 134 K N 0.399 120.613 120.400 -0.310 0.000 3.035 134 K HA -0.191 4.128 4.320 -0.001 0.000 0.262 134 K C 0.938 177.446 176.600 -0.154 0.000 1.024 134 K CA 0.308 56.464 56.287 -0.219 0.000 0.748 134 K CB -1.727 30.660 32.500 -0.189 0.000 1.247 134 K HN 0.576 nan 8.250 nan 0.000 0.482 135 A N 0.144 122.859 122.820 -0.176 0.000 2.267 135 A HA 0.481 4.800 4.320 -0.001 0.000 0.213 135 A C 1.329 178.844 177.584 -0.115 0.000 1.192 135 A CA 1.183 53.136 52.037 -0.139 0.000 0.851 135 A CB 0.092 18.993 19.000 -0.166 0.000 0.881 135 A HN 0.922 nan 8.150 nan 0.000 0.494 136 G N 0.156 108.894 108.800 -0.104 0.000 2.525 136 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.248 136 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.248 136 G C -0.343 174.519 174.900 -0.064 0.000 1.238 136 G CA -0.081 44.978 45.100 -0.068 0.000 0.926 136 G HN 0.402 nan 8.290 nan 0.000 0.574 137 K N 0.131 120.509 120.400 -0.036 0.000 2.154 137 K HA 0.647 4.966 4.320 -0.001 0.000 0.264 137 K C 0.194 176.795 176.600 0.002 0.000 1.008 137 K CA -0.096 56.184 56.287 -0.012 0.000 0.937 137 K CB 0.882 33.391 32.500 0.015 0.000 1.002 137 K HN 0.497 nan 8.250 nan 0.000 0.469 138 L N 0.258 121.500 121.223 0.032 0.000 2.388 138 L HA 0.261 4.601 4.340 -0.001 0.000 0.264 138 L C 0.259 177.235 176.870 0.177 0.000 0.998 138 L CA -0.941 53.960 54.840 0.101 0.000 0.817 138 L CB 2.001 44.091 42.059 0.051 0.000 1.338 138 L HN 0.493 nan 8.230 nan 0.000 0.414 139 S N 0.514 116.363 115.700 0.248 0.000 2.516 139 S HA 0.205 4.674 4.470 -0.001 0.000 0.282 139 S C 1.093 175.884 174.600 0.318 0.000 1.286 139 S CA 0.173 58.513 58.200 0.234 0.000 1.066 139 S CB 1.018 64.341 63.200 0.205 0.000 0.884 139 S HN 0.802 nan 8.310 nan 0.000 0.491 140 G N 2.720 111.653 108.800 0.222 0.000 2.494 140 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.216 140 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.216 140 G C 1.523 176.481 174.900 0.097 0.000 1.140 140 G CA 0.616 45.857 45.100 0.236 0.000 0.801 140 G HN 0.853 nan 8.290 nan 0.000 0.536 141 S N -0.455 115.259 115.700 0.023 0.000 2.470 141 S HA 0.157 4.626 4.470 -0.001 0.000 0.222 141 S C 1.331 175.840 174.600 -0.151 0.000 1.024 141 S CA 0.256 58.415 58.200 -0.068 0.000 0.931 141 S CB 0.022 63.192 63.200 -0.050 0.000 0.791 141 S HN 0.192 nan 8.310 nan 0.000 0.513 142 K N 3.979 124.309 120.400 -0.116 0.000 2.278 142 K HA 0.126 4.446 4.320 -0.001 0.000 0.237 142 K C -0.273 176.157 176.600 -0.282 0.000 1.229 142 K CA -0.123 56.045 56.287 -0.199 0.000 1.155 142 K CB -0.493 31.888 32.500 -0.198 0.000 1.590 142 K HN 0.516 nan 8.250 nan 0.000 0.290 143 T N -0.725 113.515 114.554 -0.523 0.000 2.907 143 T HA 0.149 4.499 4.350 -0.001 0.000 0.298 143 T C -0.141 174.252 174.700 -0.511 0.000 1.017 143 T CA -0.713 60.819 62.100 -0.945 0.000 1.118 143 T CB 1.280 69.497 68.868 -1.086 0.000 0.948 143 T HN 0.311 nan 8.240 nan 0.000 0.531 144 D N 2.497 122.704 120.400 -0.320 0.000 2.411 144 D HA 0.331 4.970 4.640 -0.001 0.000 0.239 144 D C -0.996 175.226 176.300 -0.131 0.000 1.307 144 D CA -0.323 53.609 54.000 -0.113 0.000 0.930 144 D CB 0.403 41.377 40.800 0.290 0.000 1.395 144 D HN 0.666 nan 8.370 nan 0.000 0.536 145 M N 0.945 120.267 119.600 -0.464 0.000 2.591 145 M HA 0.552 5.031 4.480 -0.001 0.000 0.306 145 M C -0.361 175.856 176.300 -0.139 0.000 1.190 145 M CA -0.782 54.279 55.300 -0.398 0.000 0.889 145 M CB 2.486 34.778 32.600 -0.513 0.000 1.728 145 M HN 0.300 nan 8.290 nan 0.000 0.458 146 S N 1.520 117.258 115.700 0.063 0.000 2.569 146 S HA 0.826 5.295 4.470 -0.001 0.000 0.280 146 S C -1.104 173.645 174.600 0.248 0.000 1.111 146 S CA -0.886 57.475 58.200 0.268 0.000 0.887 146 S CB 1.381 64.686 63.200 0.173 0.000 1.095 146 S HN 0.653 nan 8.310 nan 0.000 0.476 147 I N 2.256 123.008 120.570 0.303 0.000 2.389 147 I HA 0.476 4.645 4.170 -0.001 0.000 0.288 147 I C -0.853 175.487 176.117 0.372 0.000 0.999 147 I CA -0.599 60.880 61.300 0.297 0.000 1.129 147 I CB 1.632 39.816 38.000 0.306 0.000 1.288 147 I HN 0.701 nan 8.210 nan 0.000 0.444 148 N N 2.646 121.483 118.700 0.229 0.000 2.284 148 N HA 0.630 5.369 4.740 -0.001 0.000 0.289 148 N C -1.008 174.418 175.510 -0.140 0.000 1.179 148 N CA -0.765 52.339 53.050 0.091 0.000 0.774 148 N CB 2.384 40.900 38.487 0.048 0.000 1.548 148 N HN 0.600 nan 8.380 nan 0.000 0.473 149 T N -1.678 112.648 114.554 -0.381 0.000 2.863 149 T HA 0.532 4.882 4.350 -0.001 0.000 0.285 149 T C -1.471 173.121 174.700 -0.180 0.000 1.009 149 T CA -0.517 61.403 62.100 -0.300 0.000 0.989 149 T CB 0.645 69.194 68.868 -0.532 0.000 1.004 149 T HN 0.286 nan 8.240 nan 0.000 0.455 150 Y N 2.096 122.316 120.300 -0.134 0.000 2.334 150 Y HA 0.520 5.069 4.550 -0.001 0.000 0.336 150 Y C 1.257 177.111 175.900 -0.076 0.000 0.960 150 Y CA -0.642 57.420 58.100 -0.064 0.000 1.164 150 Y CB 1.660 40.123 38.460 0.005 0.000 1.155 150 Y HN 1.040 nan 8.280 nan 0.000 0.478 151 T N -0.728 113.814 114.554 -0.020 0.000 2.889 151 T HA 0.381 4.730 4.350 -0.001 0.000 0.278 151 T C -0.192 174.536 174.700 0.046 0.000 0.995 151 T CA -1.359 60.674 62.100 -0.113 0.000 0.966 151 T CB 0.967 69.650 68.868 -0.308 0.000 1.237 151 T HN 0.452 nan 8.240 nan 0.000 0.591 152 K N 0.202 120.620 120.400 0.030 0.000 2.491 152 K HA 0.294 4.614 4.320 -0.001 0.000 0.279 152 K C 1.348 178.040 176.600 0.153 0.000 1.026 152 K CA 1.256 57.602 56.287 0.099 0.000 1.070 152 K CB -0.711 31.827 32.500 0.064 0.000 0.887 152 K HN 1.054 nan 8.250 nan 0.000 0.481 153 G N 2.879 111.824 108.800 0.240 0.000 2.213 153 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.236 153 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.236 153 G C 0.245 175.402 174.900 0.429 0.000 0.991 153 G CA -0.023 45.271 45.100 0.324 0.000 0.629 153 G HN 0.693 nan 8.290 nan 0.000 0.517 154 C N 3.277 122.765 119.300 0.314 0.000 2.676 154 C HA 0.691 5.150 4.460 -0.001 0.000 0.416 154 C C 0.600 175.862 174.990 0.453 0.000 1.299 154 C CA 0.534 59.699 59.018 0.246 0.000 2.048 154 C CB -0.412 27.377 27.740 0.082 0.000 2.713 154 C HN 0.763 nan 8.230 nan 0.000 0.624 155 H N 0.832 120.085 119.070 0.305 0.000 2.967 155 H HA 0.677 5.232 4.556 -0.001 0.000 0.318 155 H C -2.005 173.484 175.328 0.268 0.000 1.375 155 H CA -1.050 55.154 56.048 0.261 0.000 1.132 155 H CB 1.105 30.826 29.762 -0.068 0.000 1.848 155 H HN 0.506 nan 8.280 nan 0.000 0.524 156 L N 1.795 123.195 121.223 0.295 0.000 2.482 156 L HA 0.412 4.751 4.340 -0.001 0.000 0.269 156 L C -1.339 175.619 176.870 0.146 0.000 0.967 156 L CA -0.386 54.577 54.840 0.204 0.000 0.851 156 L CB 1.366 43.583 42.059 0.263 0.000 1.242 156 L HN 0.682 nan 8.230 nan 0.000 0.404 157 L N 2.134 123.375 121.223 0.031 0.000 2.490 157 L HA 0.452 4.791 4.340 -0.001 0.000 0.245 157 L C 0.527 177.440 176.870 0.071 0.000 1.185 157 L CA -0.758 54.016 54.840 -0.110 0.000 0.813 157 L CB 0.426 42.191 42.059 -0.490 0.000 1.233 157 L HN 0.579 nan 8.230 nan 0.000 0.489 158 T N 0.746 115.282 114.554 -0.029 0.000 2.902 158 T HA 0.203 4.552 4.350 -0.001 0.000 0.301 158 T C -0.286 174.513 174.700 0.165 0.000 1.012 158 T CA -0.000 62.070 62.100 -0.049 0.000 1.151 158 T CB -0.364 68.290 68.868 -0.357 0.000 0.946 158 T HN 0.667 nan 8.240 nan 0.000 0.542 159 H N 1.287 120.348 119.070 -0.015 0.000 2.948 159 H HA 0.358 4.913 4.556 -0.001 0.000 0.315 159 H C -0.732 174.527 175.328 -0.116 0.000 1.360 159 H CA -1.081 54.991 56.048 0.039 0.000 1.125 159 H CB 0.944 30.697 29.762 -0.015 0.000 1.844 159 H HN 0.535 nan 8.280 nan 0.000 0.529 160 D N -1.239 119.047 120.400 -0.192 0.000 2.469 160 D HA 0.085 4.725 4.640 -0.001 0.000 0.213 160 D C -0.155 176.195 176.300 0.084 0.000 1.135 160 D CA 0.210 53.981 54.000 -0.382 0.000 0.834 160 D CB 0.301 40.537 40.800 -0.940 0.000 1.009 160 D HN 0.489 nan 8.370 nan 0.000 0.507 161 D N -0.982 119.599 120.400 0.302 0.000 2.946 161 D HA -0.142 4.497 4.640 -0.001 0.000 0.202 161 D C -0.456 175.915 176.300 0.118 0.000 1.068 161 D CA 0.767 54.992 54.000 0.376 0.000 1.011 161 D CB -1.320 39.874 40.800 0.657 0.000 1.105 161 D HN 0.270 nan 8.370 nan 0.000 0.425 162 V N 1.797 121.742 119.914 0.052 0.000 2.341 162 V HA 0.197 4.317 4.120 -0.001 0.000 0.248 162 V C 0.492 176.578 176.094 -0.013 0.000 1.107 162 V CA 0.224 62.536 62.300 0.021 0.000 1.069 162 V CB 0.192 31.980 31.823 -0.059 0.000 1.177 162 V HN 0.076 nan 8.190 nan 0.000 0.492 163 I N 3.223 123.777 120.570 -0.027 0.000 2.656 163 I HA 0.617 4.786 4.170 -0.001 0.000 0.292 163 I C 0.895 177.020 176.117 0.014 0.000 1.144 163 I CA 0.198 61.466 61.300 -0.054 0.000 1.038 163 I CB 1.265 39.169 38.000 -0.160 0.000 1.244 163 I HN 0.671 nan 8.210 nan 0.000 0.420 164 G N 5.128 113.966 108.800 0.065 0.000 2.652 164 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.318 164 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.318 164 G C 0.626 175.694 174.900 0.279 0.000 1.295 164 G CA 0.878 46.061 45.100 0.138 0.000 0.999 164 G HN 0.926 nan 8.290 nan 0.000 0.548 165 S N 0.368 116.223 115.700 0.260 0.000 2.660 165 S HA 0.360 4.830 4.470 -0.001 0.000 0.227 165 S C 0.866 175.495 174.600 0.049 0.000 0.948 165 S CA 0.368 58.701 58.200 0.222 0.000 0.948 165 S CB 0.132 63.484 63.200 0.254 0.000 0.779 165 S HN 0.711 nan 8.310 nan 0.000 0.487 166 R N 1.342 121.785 120.500 -0.096 0.000 2.522 166 R HA 0.245 4.584 4.340 -0.001 0.000 0.284 166 R C 1.249 177.447 176.300 -0.169 0.000 1.032 166 R CA 0.038 55.918 56.100 -0.368 0.000 1.049 166 R CB 0.375 30.431 30.300 -0.407 0.000 0.956 166 R HN 0.412 nan 8.270 nan 0.000 0.422 167 R N 2.725 123.146 120.500 -0.131 0.000 2.243 167 R HA 0.252 4.591 4.340 -0.001 0.000 0.193 167 R C -0.049 176.279 176.300 0.047 0.000 0.933 167 R CA 0.357 56.390 56.100 -0.113 0.000 1.105 167 R CB 0.775 30.994 30.300 -0.135 0.000 1.169 167 R HN 0.521 nan 8.270 nan 0.000 0.599 168 I N 0.795 121.468 120.570 0.170 0.000 2.582 168 I HA 0.239 4.408 4.170 -0.001 0.000 0.292 168 I C -0.831 175.437 176.117 0.252 0.000 1.066 168 I CA -0.959 60.463 61.300 0.203 0.000 1.053 168 I CB 2.174 40.315 38.000 0.235 0.000 1.241 168 I HN -0.006 nan 8.210 nan 0.000 0.421 169 S N 6.142 121.806 115.700 -0.060 0.000 2.508 169 S HA 0.752 5.221 4.470 -0.001 0.000 0.284 169 S C -0.798 173.625 174.600 -0.294 0.000 1.192 169 S CA -0.395 57.533 58.200 -0.453 0.000 1.070 169 S CB 0.460 63.138 63.200 -0.870 0.000 1.004 169 S HN 0.423 nan 8.310 nan 0.000 0.493 170 F N 2.572 122.277 119.950 -0.409 0.000 2.588 170 F HA 0.865 5.391 4.527 -0.001 0.000 0.310 170 F C -1.635 173.981 175.800 -0.307 0.000 1.082 170 F CA -1.365 56.546 58.000 -0.149 0.000 0.929 170 F CB 0.959 39.998 39.000 0.065 0.000 1.254 170 F HN 0.311 nan 8.300 nan 0.000 0.455 171 I N 3.938 124.479 120.570 -0.049 0.000 2.512 171 I HA 0.391 4.560 4.170 -0.001 0.000 0.287 171 I C -1.409 174.483 176.117 -0.375 0.000 1.069 171 I CA -0.619 60.468 61.300 -0.356 0.000 1.056 171 I CB 1.830 39.526 38.000 -0.506 0.000 1.229 171 I HN 0.686 nan 8.210 nan 0.000 0.429 172 L N 7.592 128.636 121.223 -0.298 0.000 2.282 172 L HA 0.540 4.879 4.340 -0.001 0.000 0.288 172 L C -1.300 175.334 176.870 -0.392 0.000 1.033 172 L CA -0.095 54.601 54.840 -0.241 0.000 0.807 172 L CB 0.342 42.359 42.059 -0.070 0.000 1.209 172 L HN 0.370 nan 8.230 nan 0.000 0.423 173 Y N 5.658 125.933 120.300 -0.043 0.000 2.323 173 Y HA 0.500 5.050 4.550 -0.001 0.000 0.331 173 Y C 0.031 175.876 175.900 -0.093 0.000 1.092 173 Y CA -0.529 57.525 58.100 -0.078 0.000 1.150 173 Y CB 1.285 39.686 38.460 -0.098 0.000 1.200 173 Y HN 0.421 nan 8.280 nan 0.000 0.472 174 L N 5.067 126.367 121.223 0.129 0.000 3.059 174 L HA 0.311 4.650 4.340 -0.001 0.000 0.298 174 L C -2.394 174.670 176.870 0.323 0.000 1.304 174 L CA -1.326 53.650 54.840 0.226 0.000 0.855 174 L CB 0.051 42.211 42.059 0.169 0.000 1.266 174 L HN 0.417 nan 8.230 nan 0.000 0.572 175 P HA -0.004 nan 4.420 nan 0.000 0.275 175 P C -0.138 177.336 177.300 0.290 0.000 1.270 175 P CA -0.358 62.880 63.100 0.230 0.000 0.791 175 P CB 0.647 32.436 31.700 0.148 0.000 1.089 176 D N 1.106 121.641 120.400 0.226 0.000 2.662 176 D HA -0.079 4.560 4.640 -0.001 0.000 0.237 176 D C -1.042 175.243 176.300 -0.025 0.000 1.154 176 D CA -0.874 53.179 54.000 0.088 0.000 0.861 176 D CB 0.239 41.105 40.800 0.111 0.000 1.146 176 D HN 0.179 nan 8.370 nan 0.000 0.518 177 P HA -0.069 nan 4.420 nan 0.000 0.226 177 P C 0.126 177.273 177.300 -0.255 0.000 1.153 177 P CA 0.777 63.452 63.100 -0.708 0.000 0.777 177 P CB 0.465 31.320 31.700 -1.408 0.000 0.794 178 D N -0.646 119.671 120.400 -0.138 0.000 2.402 178 D HA 0.136 4.775 4.640 -0.001 0.000 0.216 178 D C 0.585 176.888 176.300 0.005 0.000 1.128 178 D CA 0.150 54.116 54.000 -0.057 0.000 0.833 178 D CB 0.792 41.556 40.800 -0.060 0.000 0.971 178 D HN 0.171 nan 8.370 nan 0.000 0.503 179 R N 0.781 121.308 120.500 0.046 0.000 2.725 179 R HA 0.312 4.652 4.340 -0.001 0.000 0.277 179 R C -0.195 176.187 176.300 0.137 0.000 0.987 179 R CA -0.702 55.451 56.100 0.089 0.000 0.901 179 R CB 2.572 32.940 30.300 0.113 0.000 1.207 179 R HN -0.139 nan 8.270 nan 0.000 0.463 180 K N 2.261 122.726 120.400 0.108 0.000 2.297 180 K HA 0.094 4.413 4.320 -0.001 0.000 0.286 180 K C -0.492 176.188 176.600 0.132 0.000 1.053 180 K CA -0.322 56.029 56.287 0.106 0.000 0.940 180 K CB 0.915 33.430 32.500 0.025 0.000 1.019 180 K HN 0.492 nan 8.250 nan 0.000 0.475 181 W N 5.776 127.085 121.300 0.014 0.000 2.304 181 W HA 0.103 4.762 4.660 -0.001 0.000 0.313 181 W C -0.649 175.695 176.519 -0.291 0.000 1.323 181 W CA -0.100 57.236 57.345 -0.014 0.000 1.223 181 W CB 0.615 30.104 29.460 0.049 0.000 1.237 181 W HN 0.563 nan 8.180 nan 0.000 0.535 182 K N 2.970 122.692 120.400 -1.131 0.000 2.118 182 K HA 0.193 4.512 4.320 -0.001 0.000 0.254 182 K C 1.180 177.374 176.600 -0.676 0.000 0.961 182 K CA -0.572 55.150 56.287 -0.943 0.000 0.876 182 K CB 1.851 33.573 32.500 -1.296 0.000 1.077 182 K HN 0.309 nan 8.250 nan 0.000 0.440 183 S N 1.189 116.707 115.700 -0.303 0.000 2.365 183 S HA -0.212 4.258 4.470 -0.001 0.000 0.225 183 S C 1.720 176.230 174.600 -0.151 0.000 1.039 183 S CA 1.601 59.718 58.200 -0.139 0.000 1.033 183 S CB -0.520 62.639 63.200 -0.069 0.000 0.887 183 S HN 0.773 nan 8.310 nan 0.000 0.447 184 H N -0.705 118.226 119.070 -0.231 0.000 2.559 184 H HA 0.018 4.574 4.556 -0.001 0.000 0.273 184 H C 1.108 176.405 175.328 -0.052 0.000 1.000 184 H CA 0.828 56.778 56.048 -0.163 0.000 1.195 184 H CB -0.465 29.207 29.762 -0.150 0.000 1.368 184 H HN 0.392 nan 8.280 nan 0.000 0.592 185 Y N 1.712 121.606 120.300 -0.676 0.000 2.509 185 Y HA 0.142 4.691 4.550 -0.001 0.000 0.293 185 Y C 2.091 177.882 175.900 -0.181 0.000 1.133 185 Y CA 0.388 58.119 58.100 -0.616 0.000 1.283 185 Y CB -0.635 37.085 38.460 -1.234 0.000 1.001 185 Y HN 0.553 nan 8.280 nan 0.000 0.555 186 G N -0.542 108.314 108.800 0.093 0.000 2.593 186 G HA2 0.025 3.984 3.960 -0.001 0.000 0.237 186 G HA3 0.025 3.984 3.960 -0.001 0.000 0.237 186 G C 0.870 175.994 174.900 0.373 0.000 1.312 186 G CA 0.247 45.454 45.100 0.178 0.000 0.896 186 G HN 1.137 nan 8.290 nan 0.000 0.574 187 G N -1.257 107.704 108.800 0.269 0.000 2.153 187 G HA2 0.246 4.205 3.960 -0.001 0.000 0.252 187 G HA3 0.246 4.205 3.960 -0.001 0.000 0.252 187 G C 1.521 176.418 174.900 -0.006 0.000 0.994 187 G CA 1.186 46.366 45.100 0.134 0.000 0.698 187 G HN 2.455 nan 8.290 nan 0.000 0.521 188 G N -0.635 108.196 108.800 0.051 0.000 2.441 188 G HA2 0.546 4.505 3.960 -0.001 0.000 0.243 188 G HA3 0.546 4.505 3.960 -0.001 0.000 0.243 188 G C 0.170 175.043 174.900 -0.046 0.000 1.281 188 G CA -0.038 45.046 45.100 -0.028 0.000 0.854 188 G HN 1.100 nan 8.290 nan 0.000 0.560 189 L N 2.234 123.405 121.223 -0.086 0.000 2.313 189 L HA 0.433 4.772 4.340 -0.001 0.000 0.282 189 L C 0.539 177.346 176.870 -0.106 0.000 1.092 189 L CA -0.161 54.661 54.840 -0.030 0.000 0.831 189 L CB 0.248 42.314 42.059 0.011 0.000 1.159 189 L HN 0.495 nan 8.230 nan 0.000 0.442 190 R N 6.034 126.508 120.500 -0.044 0.000 2.514 190 R HA 0.682 5.021 4.340 -0.001 0.000 0.301 190 R C -1.310 174.885 176.300 -0.175 0.000 0.962 190 R CA -0.853 55.147 56.100 -0.167 0.000 0.882 190 R CB 1.566 31.777 30.300 -0.149 0.000 1.143 190 R HN 0.603 nan 8.270 nan 0.000 0.452 191 L N 2.840 123.837 121.223 -0.377 0.000 2.346 191 L HA 0.581 4.920 4.340 -0.001 0.000 0.274 191 L C -0.807 175.907 176.870 -0.259 0.000 1.007 191 L CA -0.793 53.896 54.840 -0.252 0.000 0.818 191 L CB 1.265 42.942 42.059 -0.637 0.000 1.284 191 L HN 0.431 nan 8.230 nan 0.000 0.424 192 F N 2.470 122.509 119.950 0.150 0.000 2.458 192 F HA 0.509 5.036 4.527 -0.001 0.000 0.336 192 F C -1.942 174.014 175.800 0.260 0.000 1.114 192 F CA -2.056 56.049 58.000 0.174 0.000 0.987 192 F CB 1.634 40.736 39.000 0.170 0.000 1.130 192 F HN 0.251 nan 8.300 nan 0.000 0.458 193 P HA 0.202 nan 4.420 nan 0.000 0.274 193 P C -0.930 176.672 177.300 0.503 0.000 1.256 193 P CA -0.406 62.914 63.100 0.366 0.000 0.795 193 P CB 1.203 33.005 31.700 0.170 0.000 1.038 194 S N -0.073 115.910 115.700 0.472 0.000 2.513 194 S HA 0.380 4.850 4.470 -0.001 0.000 0.299 194 S C 1.444 176.117 174.600 0.121 0.000 1.087 194 S CA -0.595 57.764 58.200 0.266 0.000 1.012 194 S CB 0.867 64.219 63.200 0.255 0.000 1.044 194 S HN 0.312 nan 8.310 nan 0.000 0.485 195 I N 1.311 121.716 120.570 -0.275 0.000 2.333 195 I HA 0.037 4.206 4.170 -0.001 0.000 0.246 195 I C -0.323 175.696 176.117 -0.163 0.000 1.106 195 I CA 1.154 62.258 61.300 -0.327 0.000 1.411 195 I CB 0.028 37.739 38.000 -0.480 0.000 1.082 195 I HN 0.339 nan 8.210 nan 0.000 0.420 196 L N -1.868 119.211 121.223 -0.240 0.000 2.491 196 L HA 0.467 4.806 4.340 -0.001 0.000 0.254 196 L C -2.682 174.014 176.870 -0.290 0.000 1.048 196 L CA -1.787 52.913 54.840 -0.234 0.000 0.855 196 L CB 0.662 42.458 42.059 -0.438 0.000 1.466 196 L HN -0.342 nan 8.230 nan 0.000 0.409 197 P HA 0.122 nan 4.420 nan 0.000 0.262 197 P C -0.283 176.755 177.300 -0.437 0.000 1.182 197 P CA 0.619 63.345 63.100 -0.624 0.000 0.761 197 P CB 0.113 31.555 31.700 -0.429 0.000 0.795 198 N N -0.196 118.275 118.700 -0.383 0.000 2.828 198 N HA -0.146 4.593 4.740 -0.001 0.000 0.248 198 N C -0.844 174.479 175.510 -0.310 0.000 1.044 198 N CA 0.574 53.520 53.050 -0.173 0.000 0.851 198 N CB -1.249 37.174 38.487 -0.107 0.000 1.136 198 N HN 0.135 nan 8.380 nan 0.000 0.572 199 V N 0.402 120.076 119.914 -0.400 0.000 2.315 199 V HA 0.332 4.451 4.120 -0.001 0.000 0.265 199 V C -2.099 173.734 176.094 -0.434 0.000 1.019 199 V CA -1.256 60.791 62.300 -0.421 0.000 0.824 199 V CB 0.923 32.441 31.823 -0.509 0.000 1.072 199 V HN -0.054 nan 8.190 nan 0.000 0.448 200 P HA 0.126 nan 4.420 nan 0.000 0.271 200 P C -0.057 177.123 177.300 -0.200 0.000 1.218 200 P CA 0.023 62.875 63.100 -0.414 0.000 0.780 200 P CB 0.608 31.821 31.700 -0.811 0.000 0.901 201 H N 0.620 119.691 119.070 0.003 0.000 2.871 201 H HA -0.026 4.530 4.556 -0.001 0.000 0.355 201 H C 1.624 177.017 175.328 0.108 0.000 1.092 201 H CA 0.562 56.650 56.048 0.066 0.000 1.420 201 H CB 0.683 30.518 29.762 0.121 0.000 1.400 201 H HN 0.456 nan 8.280 nan 0.000 0.604 202 S N 1.538 117.346 115.700 0.180 0.000 2.399 202 S HA -0.093 4.376 4.470 -0.001 0.000 0.231 202 S C 0.272 175.025 174.600 0.256 0.000 1.022 202 S CA 0.868 59.145 58.200 0.129 0.000 0.983 202 S CB 0.118 63.337 63.200 0.031 0.000 0.803 202 S HN 0.576 nan 8.310 nan 0.000 0.480 203 D N 1.862 122.369 120.400 0.177 0.000 2.192 203 D HA 0.384 5.024 4.640 -0.001 0.000 0.246 203 D C -2.625 173.685 176.300 0.017 0.000 1.042 203 D CA -1.597 52.435 54.000 0.053 0.000 0.847 203 D CB 1.636 42.190 40.800 -0.409 0.000 1.186 203 D HN 0.230 nan 8.370 nan 0.000 0.461 204 P HA 0.065 nan 4.420 nan 0.000 0.274 204 P C 0.276 177.399 177.300 -0.295 0.000 1.237 204 P CA -0.301 62.332 63.100 -0.778 0.000 0.793 204 P CB 0.996 32.036 31.700 -1.099 0.000 0.977 205 S N -0.694 114.851 115.700 -0.259 0.000 2.578 205 S HA 0.543 5.012 4.470 -0.001 0.000 0.228 205 S C 0.432 174.951 174.600 -0.134 0.000 1.022 205 S CA -0.164 57.958 58.200 -0.130 0.000 0.967 205 S CB 0.046 63.197 63.200 -0.081 0.000 0.914 205 S HN 0.712 nan 8.310 nan 0.000 0.515 206 A N 1.027 123.713 122.820 -0.223 0.000 2.515 206 A HA 0.817 5.136 4.320 -0.001 0.000 0.298 206 A C -1.078 176.341 177.584 -0.275 0.000 1.059 206 A CA -0.760 51.148 52.037 -0.215 0.000 0.698 206 A CB 1.754 20.596 19.000 -0.263 0.000 1.289 206 A HN 0.285 nan 8.150 nan 0.000 0.404 207 K N 1.447 121.728 120.400 -0.199 0.000 2.553 207 K HA 0.564 4.883 4.320 -0.001 0.000 0.250 207 K C -2.171 174.347 176.600 -0.138 0.000 0.953 207 K CA -0.606 55.575 56.287 -0.177 0.000 0.800 207 K CB 1.614 34.056 32.500 -0.096 0.000 1.243 207 K HN 0.603 nan 8.250 nan 0.000 0.435 208 L N 5.205 126.321 121.223 -0.178 0.000 2.282 208 L HA 0.423 4.762 4.340 -0.001 0.000 0.288 208 L C -1.252 175.555 176.870 -0.105 0.000 1.033 208 L CA -0.451 54.330 54.840 -0.099 0.000 0.807 208 L CB 1.694 43.687 42.059 -0.109 0.000 1.209 208 L HN 0.431 nan 8.230 nan 0.000 0.423 209 V N 8.025 127.905 119.914 -0.056 0.000 2.368 209 V HA 0.359 4.478 4.120 -0.001 0.000 0.266 209 V C -1.846 174.162 176.094 -0.142 0.000 1.045 209 V CA -1.299 60.974 62.300 -0.045 0.000 0.899 209 V CB 0.732 32.578 31.823 0.039 0.000 1.006 209 V HN 0.734 nan 8.190 nan 0.000 0.470 210 P HA 0.258 nan 4.420 nan 0.000 0.271 210 P C -0.920 176.215 177.300 -0.276 0.000 1.216 210 P CA -0.274 62.408 63.100 -0.697 0.000 0.776 210 P CB 1.004 31.821 31.700 -1.472 0.000 0.881 211 Q N 1.128 120.885 119.800 -0.072 0.000 2.451 211 Q HA 0.350 4.689 4.340 -0.001 0.000 0.281 211 Q C -0.578 175.542 176.000 0.200 0.000 1.099 211 Q CA -0.998 54.874 55.803 0.116 0.000 0.806 211 Q CB 1.474 30.303 28.738 0.152 0.000 1.419 211 Q HN 0.442 nan 8.270 nan 0.000 0.427 212 F N 2.451 122.469 119.950 0.115 0.000 2.623 212 F HA -0.106 4.420 4.527 -0.001 0.000 0.383 212 F C 1.255 177.134 175.800 0.131 0.000 1.077 212 F CA 1.476 59.549 58.000 0.121 0.000 1.268 212 F CB 0.052 39.115 39.000 0.106 0.000 1.053 212 F HN 0.869 nan 8.300 nan 0.000 0.571 213 N N 2.627 120.996 118.700 -0.551 0.000 2.850 213 N HA -0.294 4.445 4.740 -0.001 0.000 0.249 213 N C -0.374 175.122 175.510 -0.023 0.000 1.060 213 N CA 0.643 53.467 53.050 -0.378 0.000 0.825 213 N CB -0.744 37.551 38.487 -0.320 0.000 1.132 213 N HN 0.836 nan 8.380 nan 0.000 0.564 214 Q N 1.276 121.137 119.800 0.100 0.000 2.256 214 Q HA 0.607 4.946 4.340 -0.001 0.000 0.257 214 Q C -0.864 175.309 176.000 0.289 0.000 0.936 214 Q CA -0.560 55.382 55.803 0.232 0.000 0.903 214 Q CB 1.312 30.209 28.738 0.266 0.000 1.263 214 Q HN 0.389 nan 8.270 nan 0.000 0.440 215 I N 2.615 123.371 120.570 0.309 0.000 2.441 215 I HA 0.705 4.875 4.170 -0.001 0.000 0.295 215 I C -1.257 175.168 176.117 0.513 0.000 0.994 215 I CA -0.567 60.946 61.300 0.355 0.000 1.144 215 I CB 1.533 39.722 38.000 0.314 0.000 1.314 215 I HN 0.792 nan 8.210 nan 0.000 0.445 216 A N 6.989 130.106 122.820 0.494 0.000 2.355 216 A HA 0.892 5.212 4.320 -0.001 0.000 0.324 216 A C -1.220 176.668 177.584 0.507 0.000 1.117 216 A CA -0.387 51.915 52.037 0.442 0.000 0.785 216 A CB 0.975 20.238 19.000 0.439 0.000 1.254 216 A HN 0.698 nan 8.150 nan 0.000 0.453 217 F N -0.842 119.354 119.950 0.410 0.000 2.693 217 F HA 0.845 5.371 4.527 -0.001 0.000 0.309 217 F C -1.298 174.707 175.800 0.341 0.000 1.129 217 F CA -1.750 56.404 58.000 0.256 0.000 0.948 217 F CB 1.090 40.314 39.000 0.373 0.000 1.315 217 F HN 0.721 nan 8.300 nan 0.000 0.447 218 F N -0.665 119.503 119.950 0.363 0.000 2.672 218 F HA 0.531 5.057 4.527 -0.001 0.000 0.311 218 F C -0.989 174.950 175.800 0.231 0.000 1.113 218 F CA -1.508 56.656 58.000 0.272 0.000 0.996 218 F CB 1.429 40.623 39.000 0.325 0.000 1.286 218 F HN 0.793 nan 8.300 nan 0.000 0.441 219 K N 2.257 122.851 120.400 0.323 0.000 2.451 219 K HA 0.373 4.692 4.320 -0.001 0.000 0.280 219 K C -0.656 176.147 176.600 0.338 0.000 1.020 219 K CA -0.341 56.073 56.287 0.213 0.000 1.008 219 K CB 0.805 33.380 32.500 0.125 0.000 0.917 219 K HN 0.689 nan 8.250 nan 0.000 0.478 220 V N 6.688 126.767 119.914 0.275 0.000 2.485 220 V HA 0.014 4.133 4.120 -0.001 0.000 0.287 220 V C 0.288 176.559 176.094 0.295 0.000 1.022 220 V CA 0.253 62.746 62.300 0.322 0.000 1.067 220 V CB 0.128 32.131 31.823 0.299 0.000 0.967 220 V HN 0.622 nan 8.190 nan 0.000 0.479 221 L N 7.932 129.264 121.223 0.181 0.000 2.366 221 L HA 0.392 4.731 4.340 -0.001 0.000 0.266 221 L C -2.464 174.428 176.870 0.037 0.000 1.010 221 L CA -1.823 53.102 54.840 0.142 0.000 0.879 221 L CB 1.988 44.102 42.059 0.091 0.000 1.228 221 L HN 0.438 nan 8.230 nan 0.000 0.439 222 P HA 0.030 nan 4.420 nan 0.000 0.261 222 P C 0.941 178.144 177.300 -0.161 0.000 1.183 222 P CA 0.874 63.888 63.100 -0.143 0.000 0.761 222 P CB 0.814 32.367 31.700 -0.245 0.000 0.785 223 G N 1.550 110.153 108.800 -0.329 0.000 2.225 223 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.254 223 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.254 223 G C 0.491 174.967 174.900 -0.705 0.000 0.988 223 G CA 0.047 44.838 45.100 -0.515 0.000 0.625 223 G HN 0.472 nan 8.290 nan 0.000 0.527 224 F N 0.652 120.446 119.950 -0.261 0.000 2.754 224 F HA 0.268 4.794 4.527 -0.001 0.000 0.316 224 F C 1.858 177.321 175.800 -0.561 0.000 0.959 224 F CA 0.665 58.541 58.000 -0.207 0.000 1.148 224 F CB 0.046 38.964 39.000 -0.136 0.000 0.951 224 F HN 0.268 nan 8.300 nan 0.000 0.625 225 S N 1.083 116.375 115.700 -0.680 0.000 3.456 225 S HA 0.227 4.696 4.470 -0.001 0.000 0.229 225 S C -0.293 173.926 174.600 -0.635 0.000 1.416 225 S CA -0.256 57.241 58.200 -1.172 0.000 1.197 225 S CB -1.911 60.936 63.200 -0.588 0.000 1.201 225 S HN 0.074 nan 8.310 nan 0.000 0.479 226 F N 4.096 123.918 119.950 -0.214 0.000 2.438 226 F HA 0.378 4.904 4.527 -0.002 0.000 0.356 226 F C 1.379 177.352 175.800 0.288 0.000 1.099 226 F CA -0.124 57.862 58.000 -0.023 0.000 1.185 226 F CB 0.622 39.557 39.000 -0.108 0.000 1.115 226 F HN 0.527 nan 8.300 nan 0.000 0.526 227 H N 1.142 120.309 119.070 0.162 0.000 3.008 227 H HA 0.631 5.186 4.556 -0.001 0.000 0.354 227 H C -1.803 173.640 175.328 0.192 0.000 1.252 227 H CA -1.206 54.978 56.048 0.226 0.000 1.117 227 H CB 2.052 31.801 29.762 -0.021 0.000 1.857 227 H HN 0.542 nan 8.280 nan 0.000 0.547 231 E N 2.432 122.857 120.200 0.375 0.000 2.481 231 E HA 0.042 4.392 4.350 -0.001 0.000 0.263 231 E C -0.598 176.223 176.600 0.369 0.000 0.992 231 E CA -0.046 56.620 56.400 0.443 0.000 0.938 231 E CB 0.793 30.864 29.700 0.619 0.000 0.933 231 E HN 0.256 nan 8.360 nan 0.000 0.453 232 V N 5.933 126.059 119.914 0.354 0.000 2.470 232 V HA 0.006 4.125 4.120 -0.001 0.000 0.276 232 V C 0.989 177.224 176.094 0.235 0.000 1.040 232 V CA 0.456 62.938 62.300 0.304 0.000 1.008 232 V CB 1.009 33.028 31.823 0.327 0.000 0.990 232 V HN 0.733 nan 8.190 nan 0.000 0.477 233 K N 3.182 123.670 120.400 0.146 0.000 2.353 233 K HA 0.230 4.549 4.320 -0.001 0.000 0.195 233 K C 0.099 176.726 176.600 0.043 0.000 1.031 233 K CA 0.231 56.575 56.287 0.095 0.000 1.079 233 K CB 0.948 33.431 32.500 -0.028 0.000 0.857 233 K HN 0.691 nan 8.250 nan 0.000 0.535 234 V N -2.414 117.488 119.914 -0.020 0.000 3.141 234 V HA 0.364 4.483 4.120 -0.001 0.000 0.312 234 V C -0.848 175.183 176.094 -0.105 0.000 1.157 234 V CA -1.202 61.039 62.300 -0.098 0.000 1.041 234 V CB 1.856 33.521 31.823 -0.263 0.000 1.071 234 V HN -0.156 nan 8.190 nan 0.000 0.441 235 D N 2.104 122.442 120.400 -0.104 0.000 2.600 235 D HA 0.296 4.935 4.640 -0.001 0.000 0.226 235 D C -0.156 176.094 176.300 -0.084 0.000 1.119 235 D CA 0.265 54.231 54.000 -0.056 0.000 1.051 235 D CB -0.320 40.471 40.800 -0.015 0.000 1.106 235 D HN 0.527 nan 8.370 nan 0.000 0.491 236 K N 1.014 121.362 120.400 -0.088 0.000 2.444 236 K HA 0.341 4.660 4.320 -0.001 0.000 0.252 236 K C -0.495 176.241 176.600 0.227 0.000 0.993 236 K CA -0.740 55.547 56.287 0.000 0.000 0.847 236 K CB 1.599 33.849 32.500 -0.418 0.000 1.340 236 K HN 0.349 nan 8.250 nan 0.000 0.446 237 H N 1.511 120.723 119.070 0.237 0.000 2.638 237 H HA 0.201 4.757 4.556 -0.001 0.000 0.303 237 H C -0.259 175.193 175.328 0.207 0.000 1.034 237 H CA -0.427 55.736 56.048 0.191 0.000 1.225 237 H CB 1.786 31.598 29.762 0.083 0.000 1.394 237 H HN 0.188 nan 8.280 nan 0.000 0.477 238 R N 4.603 125.196 120.500 0.156 0.000 2.287 238 R HA 0.127 4.466 4.340 -0.001 0.000 0.327 238 R C -0.977 175.310 176.300 -0.023 0.000 1.109 238 R CA -0.814 55.184 56.100 -0.169 0.000 1.013 238 R CB 0.016 30.140 30.300 -0.293 0.000 1.126 238 R HN 0.320 nan 8.270 nan 0.000 0.503 239 L N 3.795 125.016 121.223 -0.003 0.000 2.292 239 L HA 0.421 4.761 4.340 -0.001 0.000 0.284 239 L C -0.877 176.021 176.870 0.047 0.000 1.065 239 L CA 0.302 55.149 54.840 0.012 0.000 0.806 239 L CB 1.636 43.723 42.059 0.046 0.000 1.175 239 L HN 0.709 nan 8.230 nan 0.000 0.431 240 S N 4.331 120.056 115.700 0.042 0.000 2.588 240 S HA 0.717 5.186 4.470 -0.001 0.000 0.275 240 S C -0.752 173.839 174.600 -0.015 0.000 1.130 240 S CA -0.845 57.343 58.200 -0.021 0.000 0.855 240 S CB 1.133 64.290 63.200 -0.072 0.000 1.116 240 S HN 0.504 nan 8.310 nan 0.000 0.472 241 I N 2.045 122.565 120.570 -0.083 0.000 2.354 241 I HA 0.401 4.570 4.170 -0.001 0.000 0.286 241 I C -0.365 175.617 176.117 -0.225 0.000 1.007 241 I CA -0.420 60.852 61.300 -0.046 0.000 1.167 241 I CB 1.690 39.718 38.000 0.046 0.000 1.320 241 I HN 0.721 nan 8.210 nan 0.000 0.458 242 Q N 5.459 125.077 119.800 -0.304 0.000 2.241 242 Q HA 0.785 5.124 4.340 -0.001 0.000 0.254 242 Q C -0.563 174.873 176.000 -0.939 0.000 0.917 242 Q CA -0.357 55.069 55.803 -0.628 0.000 0.919 242 Q CB 2.001 30.453 28.738 -0.476 0.000 1.237 242 Q HN 0.769 nan 8.270 nan 0.000 0.434 243 G N 2.210 109.968 108.800 -1.736 0.000 2.708 243 G HA2 0.642 4.602 3.960 -0.001 0.000 0.289 243 G HA3 0.642 4.602 3.960 -0.001 0.000 0.289 243 G C -1.883 171.944 174.900 -1.788 0.000 1.416 243 G CA -0.680 43.395 45.100 -1.709 0.000 0.829 243 G HN 0.475 nan 8.290 nan 0.000 0.480 244 W N -0.160 120.876 121.300 -0.440 0.000 2.915 244 W HA 0.455 5.115 4.660 -0.001 0.000 0.337 244 W C -1.405 175.103 176.519 -0.018 0.000 1.102 244 W CA -0.964 56.259 57.345 -0.202 0.000 1.224 244 W CB 2.071 31.373 29.460 -0.264 0.000 1.416 244 W HN 0.413 nan 8.180 nan 0.000 0.503 245 Y N 1.773 122.309 120.300 0.393 0.000 2.308 245 Y HA 0.276 4.825 4.550 -0.001 0.000 0.329 245 Y C 1.054 177.030 175.900 0.125 0.000 1.111 245 Y CA 0.123 58.430 58.100 0.346 0.000 1.179 245 Y CB 0.995 39.601 38.460 0.242 0.000 1.201 245 Y HN 0.162 nan 8.280 nan 0.000 0.483 246 H N 2.555 121.824 119.070 0.333 0.000 2.595 246 H HA 0.401 4.956 4.556 -0.001 0.000 0.346 246 H C -0.183 175.195 175.328 0.084 0.000 1.181 246 H CA -1.007 55.133 56.048 0.154 0.000 1.242 246 H CB 1.731 31.558 29.762 0.109 0.000 1.652 246 H HN 0.519 nan 8.280 nan 0.000 0.548 247 I N 2.865 123.490 120.570 0.093 0.000 2.845 247 I HA -0.089 4.080 4.170 -0.001 0.000 0.296 247 I C -1.976 174.211 176.117 0.116 0.000 1.216 247 I CA -1.140 60.173 61.300 0.023 0.000 1.438 247 I CB -0.095 37.868 38.000 -0.061 0.000 1.342 247 I HN 0.209 nan 8.210 nan 0.000 0.577 248 P HA -0.023 nan 4.420 nan 0.000 0.265 248 P C -0.757 176.665 177.300 0.202 0.000 1.187 248 P CA 0.084 63.276 63.100 0.153 0.000 0.766 248 P CB 0.427 32.222 31.700 0.159 0.000 0.820 249 Q N 1.018 120.868 119.800 0.085 0.000 2.169 249 Q HA 0.297 4.636 4.340 -0.001 0.000 0.234 249 Q C -0.088 175.643 176.000 -0.448 0.000 0.980 249 Q CA -1.087 54.682 55.803 -0.056 0.000 0.941 249 Q CB 0.709 29.400 28.738 -0.079 0.000 1.199 249 Q HN 0.212 nan 8.270 nan 0.000 0.496 250 V N 0.914 120.299 119.914 -0.882 0.000 2.752 250 V HA 0.136 4.255 4.120 -0.001 0.000 0.306 250 V C 1.231 176.986 176.094 -0.565 0.000 1.099 250 V CA 2.461 63.983 62.300 -1.296 0.000 1.240 250 V CB -0.202 31.192 31.823 -0.716 0.000 0.887 250 V HN 1.032 nan 8.190 nan 0.000 0.499 251 G N 3.919 112.474 108.800 -0.408 0.000 2.179 251 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.260 251 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.260 251 G C 0.076 174.941 174.900 -0.059 0.000 0.977 251 G CA 0.472 45.487 45.100 -0.141 0.000 0.641 251 G HN 0.823 nan 8.290 nan 0.000 0.533 252 E N 0.351 120.521 120.200 -0.050 0.000 2.227 252 E HA 0.446 4.795 4.350 -0.001 0.000 0.268 252 E C 0.076 176.728 176.600 0.087 0.000 0.990 252 E CA -0.780 55.636 56.400 0.027 0.000 0.856 252 E CB 1.299 31.018 29.700 0.033 0.000 1.159 252 E HN 0.364 nan 8.360 nan 0.000 0.401 253 E N 0.109 120.352 120.200 0.072 0.000 2.465 253 E HA 0.017 4.366 4.350 -0.001 0.000 0.260 253 E C 0.561 177.212 176.600 0.085 0.000 0.980 253 E CA 0.980 57.422 56.400 0.070 0.000 0.927 253 E CB 0.094 29.823 29.700 0.050 0.000 0.934 253 E HN 0.760 nan 8.360 nan 0.000 0.459 254 G N 3.644 112.492 108.800 0.081 0.000 2.179 254 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.260 254 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.260 254 G C -0.098 174.859 174.900 0.094 0.000 0.977 254 G CA 0.334 45.473 45.100 0.065 0.000 0.641 254 G HN 0.709 nan 8.290 nan 0.000 0.533 255 Y N 0.862 121.168 120.300 0.010 0.000 2.620 255 Y HA 0.495 5.044 4.550 -0.001 0.000 0.330 255 Y C 0.506 176.411 175.900 0.010 0.000 1.186 255 Y CA -0.054 58.053 58.100 0.011 0.000 1.467 255 Y CB 0.252 38.721 38.460 0.014 0.000 1.262 255 Y HN 0.177 nan 8.280 nan 0.000 0.550 256 I N 9.484 129.703 120.570 -0.586 0.000 2.439 256 I HA 0.285 4.454 4.170 -0.001 0.000 0.283 256 I C -2.364 173.292 176.117 -0.768 0.000 1.023 256 I CA -2.393 58.578 61.300 -0.547 0.000 1.100 256 I CB 1.614 39.478 38.000 -0.227 0.000 1.238 256 I HN 0.546 nan 8.210 nan 0.000 0.445 257 P HA 0.075 nan 4.420 nan 0.000 0.261 257 P C 0.936 178.128 177.300 -0.180 0.000 1.183 257 P CA 0.792 63.635 63.100 -0.428 0.000 0.761 257 P CB 0.617 32.209 31.700 -0.180 0.000 0.785 258 G N 2.542 111.301 108.800 -0.069 0.000 2.217 258 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.246 258 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.246 258 G C 1.160 176.067 174.900 0.011 0.000 0.990 258 G CA 0.445 45.540 45.100 -0.008 0.000 0.627 258 G HN 0.553 nan 8.290 nan 0.000 0.522 259 E N 0.555 120.741 120.200 -0.024 0.000 2.038 259 E HA -0.173 4.177 4.350 -0.001 0.000 0.195 259 E C 2.060 178.720 176.600 0.099 0.000 1.000 259 E CA 1.645 58.057 56.400 0.020 0.000 0.803 259 E CB -0.215 29.466 29.700 -0.032 0.000 0.750 259 E HN 0.678 nan 8.360 nan 0.000 0.448 260 E N 0.010 120.270 120.200 0.099 0.000 2.077 260 E HA -0.242 4.107 4.350 -0.001 0.000 0.193 260 E C 1.904 178.618 176.600 0.189 0.000 0.989 260 E CA 1.492 57.982 56.400 0.151 0.000 0.800 260 E CB 0.061 29.842 29.700 0.136 0.000 0.746 260 E HN 0.212 nan 8.360 nan 0.000 0.452 261 E N 0.502 120.781 120.200 0.132 0.000 2.085 261 E HA -0.178 4.171 4.350 -0.001 0.000 0.194 261 E C 1.857 178.522 176.600 0.109 0.000 0.994 261 E CA 1.423 57.887 56.400 0.107 0.000 0.801 261 E CB -0.331 29.414 29.700 0.075 0.000 0.743 261 E HN 0.414 nan 8.360 nan 0.000 0.453 262 A N 0.850 123.740 122.820 0.116 0.000 1.902 262 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 262 A C 2.028 179.696 177.584 0.141 0.000 1.181 262 A CA 1.267 53.367 52.037 0.104 0.000 0.623 262 A CB -1.039 18.018 19.000 0.095 0.000 0.818 262 A HN 0.569 nan 8.150 nan 0.000 0.443 263 W N 0.922 122.230 121.300 0.013 0.000 2.355 263 W HA -0.181 4.478 4.660 -0.001 0.000 0.309 263 W C 1.740 178.265 176.519 0.010 0.000 1.206 263 W CA 2.294 59.648 57.345 0.014 0.000 1.284 263 W CB -0.371 29.103 29.460 0.023 0.000 1.145 263 W HN 0.201 nan 8.180 nan 0.000 0.502 264 V N 1.448 121.458 119.914 0.160 0.000 2.343 264 V HA -0.285 3.834 4.120 -0.001 0.000 0.247 264 V C 2.709 178.773 176.094 -0.049 0.000 1.051 264 V CA 2.242 64.566 62.300 0.039 0.000 1.036 264 V CB -1.040 30.849 31.823 0.111 0.000 0.654 264 V HN 0.154 nan 8.190 nan 0.000 0.451 265 R N 0.345 120.836 120.500 -0.015 0.000 2.073 265 R HA -0.212 4.127 4.340 -0.001 0.000 0.234 265 R C 2.231 178.486 176.300 -0.075 0.000 1.134 265 R CA 2.084 58.166 56.100 -0.031 0.000 0.952 265 R CB -0.393 29.905 30.300 -0.003 0.000 0.850 265 R HN 0.540 nan 8.270 nan 0.000 0.433 266 N N 0.604 119.239 118.700 -0.108 0.000 2.289 266 N HA -0.120 4.620 4.740 -0.001 0.000 0.184 266 N C 0.971 176.350 175.510 -0.218 0.000 1.016 266 N CA 1.284 54.244 53.050 -0.149 0.000 0.872 266 N CB -0.079 38.312 38.487 -0.159 0.000 0.973 266 N HN 0.232 nan 8.380 nan 0.000 0.433 267 N N -1.564 116.961 118.700 -0.292 0.000 2.405 267 N HA 0.048 4.787 4.740 -0.001 0.000 0.175 267 N C 0.970 176.377 175.510 -0.171 0.000 1.051 267 N CA 0.754 53.623 53.050 -0.302 0.000 0.899 267 N CB 0.020 38.238 38.487 -0.448 0.000 1.000 267 N HN 0.244 nan 8.380 nan 0.000 0.451 268 T N -0.190 114.290 114.554 -0.123 0.000 2.983 268 T HA 0.034 4.383 4.350 -0.001 0.000 0.250 268 T C 1.341 176.004 174.700 -0.061 0.000 1.037 268 T CA 0.306 62.361 62.100 -0.074 0.000 1.142 268 T CB -0.044 68.794 68.868 -0.049 0.000 0.876 268 T HN 0.292 nan 8.240 nan 0.000 0.455 278 V N 0.287 120.192 119.914 -0.016 0.000 2.515 278 V HA -0.130 3.989 4.120 -0.001 0.000 0.250 278 V C 2.307 178.407 176.094 0.011 0.000 1.058 278 V CA 1.298 63.590 62.300 -0.014 0.000 1.064 278 V CB -0.243 31.600 31.823 0.034 0.000 0.675 278 V HN 0.393 nan 8.190 nan 0.000 0.461 279 L N 0.851 122.124 121.223 0.083 0.000 2.275 279 L HA -0.140 4.199 4.340 -0.001 0.000 0.215 279 L C 2.667 179.588 176.870 0.086 0.000 1.119 279 L CA 1.449 56.414 54.840 0.208 0.000 0.790 279 L CB -0.671 41.472 42.059 0.140 0.000 0.919 279 L HN 0.568 nan 8.230 nan 0.000 0.443 280 E N -0.308 119.858 120.200 -0.057 0.000 2.333 280 E HA -0.245 4.104 4.350 -0.001 0.000 0.198 280 E C 0.943 177.378 176.600 -0.274 0.000 1.007 280 E CA 1.206 57.519 56.400 -0.144 0.000 0.845 280 E CB -0.206 29.409 29.700 -0.141 0.000 0.766 280 E HN 0.410 nan 8.360 nan 0.000 0.507 281 D N 0.470 120.645 120.400 -0.374 0.000 2.218 281 D HA -0.114 4.526 4.640 -0.001 0.000 0.204 281 D C 0.886 176.754 176.300 -0.721 0.000 0.976 281 D CA 0.867 54.502 54.000 -0.610 0.000 0.853 281 D CB -0.188 40.147 40.800 -0.775 0.000 0.939 281 D HN 0.326 nan 8.370 nan 0.000 0.481 282 F N 0.789 120.612 119.950 -0.212 0.000 2.765 282 F HA 0.213 4.739 4.527 -0.001 0.000 0.302 282 F C 0.714 176.416 175.800 -0.163 0.000 1.111 282 F CA -0.087 57.828 58.000 -0.141 0.000 1.359 282 F CB -0.085 38.855 39.000 -0.099 0.000 1.097 282 F HN -0.272 nan 8.300 nan 0.000 0.577 283 E N 0.609 120.676 120.200 -0.223 0.000 2.229 283 E HA 0.395 4.744 4.350 -0.001 0.000 0.283 283 E C -1.102 175.193 176.600 -0.509 0.000 1.030 283 E CA -0.214 56.045 56.400 -0.235 0.000 0.836 283 E CB 0.886 30.449 29.700 -0.228 0.000 1.068 283 E HN 0.006 nan 8.360 nan 0.000 0.401 284 F N 3.246 123.108 119.950 -0.147 0.000 2.578 284 F HA 0.339 4.865 4.527 -0.001 0.000 0.311 284 F C -2.137 173.538 175.800 -0.209 0.000 1.094 284 F CA -2.465 55.474 58.000 -0.101 0.000 0.923 284 F CB 1.793 40.825 39.000 0.052 0.000 1.230 284 F HN 0.297 nan 8.300 nan 0.000 0.450 285 P HA 0.096 nan 4.420 nan 0.000 0.274 285 P C -0.926 176.255 177.300 -0.197 0.000 1.237 285 P CA -0.544 62.456 63.100 -0.167 0.000 0.793 285 P CB 0.799 32.188 31.700 -0.518 0.000 0.977 286 K N 1.350 121.638 120.400 -0.187 0.000 2.326 286 K HA 0.087 4.406 4.320 -0.001 0.000 0.275 286 K C 0.235 176.749 176.600 -0.144 0.000 1.018 286 K CA 0.059 56.215 56.287 -0.218 0.000 0.962 286 K CB -0.083 32.293 32.500 -0.206 0.000 0.953 286 K HN 0.410 nan 8.250 nan 0.000 0.475 287 D N 3.090 123.408 120.400 -0.137 0.000 2.619 287 D HA 0.051 4.690 4.640 -0.001 0.000 0.224 287 D C -0.756 175.499 176.300 -0.074 0.000 1.133 287 D CA 0.109 54.049 54.000 -0.100 0.000 1.017 287 D CB -0.138 40.603 40.800 -0.098 0.000 1.077 287 D HN 0.308 nan 8.370 nan 0.000 0.503 288 E N 1.172 121.334 120.200 -0.063 0.000 2.272 288 E HA 0.454 4.803 4.350 -0.001 0.000 0.269 288 E C -0.311 176.275 176.600 -0.024 0.000 0.877 288 E CA -0.817 55.559 56.400 -0.040 0.000 0.755 288 E CB 2.220 31.893 29.700 -0.046 0.000 1.192 288 E HN 0.099 nan 8.360 nan 0.000 0.422 289 R N 1.686 122.183 120.500 -0.005 0.000 2.711 289 R HA 0.425 4.764 4.340 -0.001 0.000 0.284 289 R C -0.690 175.624 176.300 0.023 0.000 0.968 289 R CA -0.783 55.321 56.100 0.007 0.000 0.924 289 R CB 1.458 31.769 30.300 0.019 0.000 1.162 289 R HN 0.425 nan 8.270 nan 0.000 0.465 290 N N 1.672 120.392 118.700 0.035 0.000 2.456 290 N HA 0.279 5.018 4.740 -0.001 0.000 0.288 290 N C -0.131 175.408 175.510 0.049 0.000 1.059 290 N CA -0.659 52.413 53.050 0.036 0.000 0.946 290 N CB 1.159 39.670 38.487 0.040 0.000 1.150 290 N HN 0.434 nan 8.380 nan 0.000 0.479 291 I N -0.434 120.152 120.570 0.025 0.000 2.754 291 I HA 0.188 4.357 4.170 -0.001 0.000 0.285 291 I C -0.260 175.866 176.117 0.014 0.000 1.166 291 I CA -0.499 60.812 61.300 0.018 0.000 1.417 291 I CB 0.387 38.373 38.000 -0.023 0.000 1.382 291 I HN 0.227 nan 8.210 nan 0.000 0.588 292 L N 4.385 125.632 121.223 0.040 0.000 2.456 292 L HA 0.307 4.647 4.340 -0.001 0.000 0.257 292 L C 1.008 177.842 176.870 -0.060 0.000 1.162 292 L CA -0.611 54.262 54.840 0.054 0.000 0.808 292 L CB 1.092 43.250 42.059 0.164 0.000 1.136 292 L HN 0.921 nan 8.230 nan 0.000 0.466 293 S N -0.305 115.372 115.700 -0.038 0.000 2.584 293 S HA 0.127 4.596 4.470 -0.001 0.000 0.270 293 S C 0.936 175.484 174.600 -0.087 0.000 1.346 293 S CA -0.351 57.791 58.200 -0.097 0.000 1.018 293 S CB 0.280 63.494 63.200 0.023 0.000 0.899 293 S HN 0.445 nan 8.310 nan 0.000 0.542 294 F N 0.509 120.476 119.950 0.028 0.000 2.120 294 F HA -0.140 4.386 4.527 -0.002 0.000 0.300 294 F C 2.681 178.461 175.800 -0.033 0.000 1.095 294 F CA 2.121 60.119 58.000 -0.004 0.000 1.249 294 F CB -0.714 38.288 39.000 0.004 0.000 0.995 294 F HN 0.868 nan 8.300 nan 0.000 0.480 295 H N 0.262 119.398 119.070 0.109 0.000 2.319 295 H HA -0.166 4.390 4.556 -0.001 0.000 0.299 295 H C 2.015 177.298 175.328 -0.074 0.000 1.092 295 H CA 2.349 58.409 56.048 0.020 0.000 1.302 295 H CB -0.221 29.563 29.762 0.037 0.000 1.373 295 H HN 0.306 nan 8.280 nan 0.000 0.497 296 E N -0.340 119.766 120.200 -0.156 0.000 2.038 296 E HA -0.156 4.194 4.350 -0.001 0.000 0.195 296 E C 2.468 178.415 176.600 -1.088 0.000 1.000 296 E CA 1.541 57.617 56.400 -0.540 0.000 0.803 296 E CB -0.070 29.506 29.700 -0.206 0.000 0.750 296 E HN 0.306 nan 8.360 nan 0.000 0.448 297 V N 1.673 121.281 119.914 -0.511 0.000 2.343 297 V HA -0.274 3.845 4.120 -0.001 0.000 0.247 297 V C 2.166 178.087 176.094 -0.288 0.000 1.051 297 V CA 1.704 63.823 62.300 -0.301 0.000 1.036 297 V CB -0.452 31.370 31.823 -0.003 0.000 0.654 297 V HN 0.210 nan 8.190 nan 0.000 0.451 298 K N -0.744 119.499 120.400 -0.263 0.000 2.063 298 K HA -0.236 4.083 4.320 -0.001 0.000 0.208 298 K C 2.145 178.553 176.600 -0.320 0.000 1.048 298 K CA 2.071 58.211 56.287 -0.245 0.000 0.928 298 K CB -0.341 32.011 32.500 -0.247 0.000 0.713 298 K HN 0.574 nan 8.250 nan 0.000 0.442 299 H N -0.446 118.321 119.070 -0.504 0.000 2.319 299 H HA -0.111 4.444 4.556 -0.001 0.000 0.299 299 H C 1.888 177.091 175.328 -0.208 0.000 1.092 299 H CA 2.203 57.999 56.048 -0.421 0.000 1.302 299 H CB -0.101 29.326 29.762 -0.559 0.000 1.373 299 H HN 0.186 nan 8.280 nan 0.000 0.497 300 F N 0.340 120.287 119.950 -0.005 0.000 2.113 300 F HA -0.123 4.403 4.527 -0.002 0.000 0.297 300 F C 2.467 178.233 175.800 -0.056 0.000 1.103 300 F CA 0.624 58.591 58.000 -0.055 0.000 1.248 300 F CB -0.197 38.755 39.000 -0.080 0.000 0.999 300 F HN 0.170 nan 8.300 nan 0.000 0.475 301 E N 0.856 121.112 120.200 0.093 0.000 2.058 301 E HA -0.271 4.078 4.350 -0.001 0.000 0.194 301 E C 2.088 178.687 176.600 -0.003 0.000 0.997 301 E CA 1.441 57.858 56.400 0.030 0.000 0.801 301 E CB -0.221 29.477 29.700 -0.004 0.000 0.746 301 E HN 0.305 nan 8.360 nan 0.000 0.450 302 K N 0.663 121.039 120.400 -0.041 0.000 2.032 302 K HA -0.192 4.128 4.320 -0.001 0.000 0.209 302 K C 2.225 178.814 176.600 -0.018 0.000 1.048 302 K CA 1.506 57.761 56.287 -0.053 0.000 0.927 302 K CB -0.099 32.334 32.500 -0.112 0.000 0.712 302 K HN 0.098 nan 8.250 nan 0.000 0.441 303 M N 0.422 120.028 119.600 0.010 0.000 2.132 303 M HA -0.125 4.355 4.480 -0.001 0.000 0.263 303 M C 1.542 177.846 176.300 0.007 0.000 1.065 303 M CA 1.500 56.812 55.300 0.019 0.000 1.122 303 M CB 0.128 32.754 32.600 0.044 0.000 1.365 303 M HN 0.196 nan 8.290 nan 0.000 0.411 304 L N -0.386 120.843 121.223 0.010 0.000 2.591 304 L HA 0.069 4.408 4.340 -0.001 0.000 0.228 304 L C 0.750 177.618 176.870 -0.004 0.000 1.133 304 L CA 0.084 54.922 54.840 -0.003 0.000 0.880 304 L CB -0.132 41.922 42.059 -0.009 0.000 1.033 304 L HN 0.175 nan 8.230 nan 0.000 0.450 329 K N 0.633 121.052 120.400 0.032 0.000 2.501 329 K HA 0.744 5.063 4.320 -0.001 0.000 0.252 329 K C -2.106 174.504 176.600 0.016 0.000 0.934 329 K CA -0.749 55.572 56.287 0.057 0.000 0.797 329 K CB 2.536 35.075 32.500 0.064 0.000 1.270 329 K HN 0.147 nan 8.250 nan 0.000 0.431 330 L N 2.351 123.571 121.223 -0.004 0.000 2.334 330 L HA 0.405 4.745 4.340 -0.001 0.000 0.276 330 L C 0.216 177.068 176.870 -0.030 0.000 1.014 330 L CA -0.174 54.559 54.840 -0.179 0.000 0.815 330 L CB 1.597 43.235 42.059 -0.702 0.000 1.268 330 L HN 0.786 nan 8.230 nan 0.000 0.428 331 S N 1.258 116.944 115.700 -0.024 0.000 2.600 331 S HA 0.186 4.655 4.470 -0.001 0.000 0.265 331 S C 0.911 175.611 174.600 0.166 0.000 1.325 331 S CA -0.307 57.938 58.200 0.075 0.000 1.002 331 S CB 0.550 63.778 63.200 0.046 0.000 0.921 331 S HN 0.656 nan 8.310 nan 0.000 0.554 332 E N 0.984 121.299 120.200 0.192 0.000 2.110 332 E HA -0.131 4.218 4.350 -0.001 0.000 0.193 332 E C 2.322 179.030 176.600 0.181 0.000 0.988 332 E CA 1.230 57.763 56.400 0.222 0.000 0.804 332 E CB -0.470 29.311 29.700 0.134 0.000 0.745 332 E HN 0.805 nan 8.360 nan 0.000 0.458 333 A N 1.322 124.212 122.820 0.116 0.000 1.933 333 A HA -0.241 4.078 4.320 -0.001 0.000 0.218 333 A C 1.904 179.553 177.584 0.108 0.000 1.175 333 A CA 1.466 53.562 52.037 0.099 0.000 0.628 333 A CB -0.346 18.692 19.000 0.064 0.000 0.814 333 A HN 0.163 nan 8.150 nan 0.000 0.444 334 E N -1.259 118.971 120.200 0.050 0.000 2.072 334 E HA -0.138 4.212 4.350 -0.001 0.000 0.191 334 E C 1.623 178.228 176.600 0.008 0.000 0.985 334 E CA 1.117 57.507 56.400 -0.016 0.000 0.801 334 E CB -0.259 29.348 29.700 -0.155 0.000 0.750 334 E HN 0.654 nan 8.360 nan 0.000 0.452 335 F N 0.965 120.965 119.950 0.083 0.000 2.171 335 F HA -0.167 4.359 4.527 -0.001 0.000 0.300 335 F C 2.554 178.383 175.800 0.048 0.000 1.090 335 F CA 1.225 59.259 58.000 0.056 0.000 1.293 335 F CB -0.664 38.357 39.000 0.035 0.000 1.013 335 F HN -0.036 nan 8.300 nan 0.000 0.486 336 T N -1.089 113.608 114.554 0.238 0.000 2.746 336 T HA -0.269 4.080 4.350 -0.001 0.000 0.267 336 T C 1.710 176.491 174.700 0.135 0.000 1.039 336 T CA 1.591 63.779 62.100 0.146 0.000 1.142 336 T CB -0.695 68.245 68.868 0.119 0.000 0.866 336 T HN 0.334 nan 8.240 nan 0.000 0.444 337 Y N 1.774 122.121 120.300 0.078 0.000 2.145 337 Y HA -0.065 4.484 4.550 -0.001 0.000 0.286 337 Y C 2.008 178.018 175.900 0.183 0.000 1.145 337 Y CA 1.156 59.320 58.100 0.107 0.000 1.148 337 Y CB -0.517 37.994 38.460 0.084 0.000 0.981 337 Y HN 0.101 nan 8.280 nan 0.000 0.507 338 L N -0.745 120.610 121.223 0.221 0.000 2.127 338 L HA -0.244 4.096 4.340 -0.001 0.000 0.211 338 L C 2.370 179.216 176.870 -0.040 0.000 1.089 338 L CA 1.506 56.453 54.840 0.177 0.000 0.757 338 L CB -0.659 41.437 42.059 0.062 0.000 0.899 338 L HN 0.122 nan 8.230 nan 0.000 0.434 339 S N -0.799 114.876 115.700 -0.041 0.000 2.474 339 S HA -0.162 4.307 4.470 -0.001 0.000 0.235 339 S C 1.843 176.309 174.600 -0.223 0.000 0.997 339 S CA 0.745 58.877 58.200 -0.113 0.000 0.949 339 S CB -0.138 63.033 63.200 -0.049 0.000 0.766 339 S HN 0.477 nan 8.310 nan 0.000 0.517 340 Q N -0.999 118.633 119.800 -0.281 0.000 2.226 340 Q HA -0.081 4.258 4.340 -0.001 0.000 0.204 340 Q C 0.949 176.550 176.000 -0.665 0.000 0.975 340 Q CA 1.296 56.857 55.803 -0.403 0.000 0.866 340 Q CB -0.017 28.496 28.738 -0.375 0.000 0.915 340 Q HN 0.651 nan 8.270 nan 0.000 0.440 341 Y N -1.255 118.602 120.300 -0.737 0.000 2.652 341 Y HA 0.251 4.800 4.550 -0.001 0.000 0.275 341 Y C 0.584 176.086 175.900 -0.663 0.000 1.133 341 Y CA -0.374 57.204 58.100 -0.869 0.000 1.246 341 Y CB 1.108 38.538 38.460 -1.717 0.000 1.334 341 Y HN -0.127 nan 8.280 nan 0.000 0.493 342 I N 0.198 120.488 120.570 -0.468 0.000 2.396 342 I HA 0.144 4.314 4.170 -0.001 0.000 0.292 342 I C 0.543 176.483 176.117 -0.295 0.000 0.999 342 I CA -0.644 60.364 61.300 -0.486 0.000 1.310 342 I CB 1.414 39.109 38.000 -0.507 0.000 1.404 342 I HN -0.062 nan 8.210 nan 0.000 0.496 343 S N 6.586 122.152 115.700 -0.223 0.000 2.552 343 S HA 0.107 4.576 4.470 -0.001 0.000 0.289 343 S C -1.499 172.997 174.600 -0.174 0.000 1.304 343 S CA -0.902 57.205 58.200 -0.155 0.000 1.063 343 S CB 0.766 63.900 63.200 -0.111 0.000 0.848 343 S HN 0.374 nan 8.310 nan 0.000 0.499 344 P HA -0.140 nan 4.420 nan 0.000 0.217 344 P C 1.302 178.509 177.300 -0.154 0.000 1.148 344 P CA 1.150 64.170 63.100 -0.132 0.000 0.828 344 P CB 0.036 31.668 31.700 -0.114 0.000 0.783 345 E N -0.674 119.371 120.200 -0.260 0.000 2.097 345 E HA -0.254 4.095 4.350 -0.001 0.000 0.196 345 E C 1.180 177.642 176.600 -0.230 0.000 1.000 345 E CA 1.167 57.379 56.400 -0.314 0.000 0.804 345 E CB -0.257 29.140 29.700 -0.506 0.000 0.740 345 E HN 0.403 nan 8.360 nan 0.000 0.454 346 H N -0.897 118.214 119.070 0.068 0.000 2.539 346 H HA 0.128 4.684 4.556 -0.001 0.000 0.269 346 H C 1.314 176.772 175.328 0.217 0.000 0.980 346 H CA 0.404 56.553 56.048 0.167 0.000 1.152 346 H CB 0.403 30.295 29.762 0.216 0.000 1.407 346 H HN 0.252 nan 8.280 nan 0.000 0.564 347 L N 0.409 121.729 121.223 0.163 0.000 2.817 347 L HA 0.116 4.455 4.340 -0.001 0.000 0.248 347 L C 0.911 177.787 176.870 0.009 0.000 1.133 347 L CA -0.106 54.845 54.840 0.186 0.000 0.935 347 L CB 0.475 42.600 42.059 0.110 0.000 1.266 347 L HN 0.013 nan 8.230 nan 0.000 0.535 348 S N -0.597 115.091 115.700 -0.020 0.000 2.593 348 S HA 0.082 4.551 4.470 -0.001 0.000 0.269 348 S C 1.484 176.066 174.600 -0.031 0.000 1.334 348 S CA -0.012 58.137 58.200 -0.086 0.000 1.015 348 S CB 1.479 64.641 63.200 -0.062 0.000 0.912 348 S HN 0.286 nan 8.310 nan 0.000 0.541 349 S N 1.939 117.602 115.700 -0.063 0.000 2.365 349 S HA -0.154 4.315 4.470 -0.001 0.000 0.225 349 S C 1.547 176.163 174.600 0.027 0.000 1.039 349 S CA 0.830 59.025 58.200 -0.009 0.000 1.033 349 S CB -0.531 62.654 63.200 -0.024 0.000 0.887 349 S HN 0.719 nan 8.310 nan 0.000 0.447 350 K N 1.265 121.675 120.400 0.017 0.000 2.243 350 K HA 0.185 4.504 4.320 -0.001 0.000 0.201 350 K C 2.393 179.024 176.600 0.053 0.000 1.051 350 K CA 0.943 57.248 56.287 0.030 0.000 0.970 350 K CB -1.055 31.456 32.500 0.018 0.000 0.755 350 K HN 0.518 nan 8.250 nan 0.000 0.465 351 G N 1.710 110.546 108.800 0.060 0.000 2.421 351 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.216 351 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.216 351 G C 1.673 176.661 174.900 0.148 0.000 1.171 351 G CA 0.485 45.648 45.100 0.106 0.000 0.775 351 G HN 0.169 nan 8.290 nan 0.000 0.543 352 I N 0.414 121.072 120.570 0.147 0.000 2.226 352 I HA -0.139 4.030 4.170 -0.001 0.000 0.245 352 I C 2.773 178.943 176.117 0.087 0.000 1.100 352 I CA 1.186 62.573 61.300 0.144 0.000 1.374 352 I CB -0.252 37.855 38.000 0.178 0.000 1.057 352 I HN 0.245 nan 8.210 nan 0.000 0.413 353 E N 0.689 120.933 120.200 0.074 0.000 2.085 353 E HA -0.300 4.050 4.350 -0.001 0.000 0.194 353 E C 2.154 178.789 176.600 0.058 0.000 0.994 353 E CA 1.323 57.756 56.400 0.055 0.000 0.801 353 E CB -0.064 29.663 29.700 0.045 0.000 0.743 353 E HN 0.348 nan 8.360 nan 0.000 0.453 354 K N 0.850 121.292 120.400 0.070 0.000 2.026 354 K HA -0.143 4.176 4.320 -0.001 0.000 0.208 354 K C 2.143 178.794 176.600 0.085 0.000 1.048 354 K CA 0.917 57.249 56.287 0.074 0.000 0.929 354 K CB -0.032 32.518 32.500 0.084 0.000 0.713 354 K HN 0.055 nan 8.250 nan 0.000 0.439 355 L N 0.810 122.093 121.223 0.100 0.000 2.046 355 L HA -0.227 4.113 4.340 -0.001 0.000 0.208 355 L C 2.646 179.565 176.870 0.082 0.000 1.077 355 L CA 1.417 56.315 54.840 0.098 0.000 0.747 355 L CB -0.456 41.663 42.059 0.099 0.000 0.896 355 L HN 0.308 nan 8.230 nan 0.000 0.432 356 Q N -0.043 119.788 119.800 0.052 0.000 2.096 356 Q HA -0.279 4.060 4.340 -0.001 0.000 0.204 356 Q C 2.259 178.315 176.000 0.093 0.000 0.982 356 Q CA 1.779 57.614 55.803 0.053 0.000 0.850 356 Q CB -0.142 28.609 28.738 0.021 0.000 0.901 356 Q HN 0.367 nan 8.270 nan 0.000 0.422 357 K N 0.716 121.157 120.400 0.069 0.000 2.057 357 K HA -0.200 4.119 4.320 -0.001 0.000 0.207 357 K C 2.063 178.697 176.600 0.056 0.000 1.049 357 K CA 1.348 57.667 56.287 0.054 0.000 0.931 357 K CB 0.105 32.631 32.500 0.042 0.000 0.714 357 K HN 0.206 nan 8.250 nan 0.000 0.440 358 Q N -0.599 119.245 119.800 0.073 0.000 2.084 358 Q HA -0.187 4.152 4.340 -0.001 0.000 0.202 358 Q C 1.968 178.009 176.000 0.069 0.000 0.978 358 Q CA 1.710 57.551 55.803 0.064 0.000 0.844 358 Q CB -0.168 28.617 28.738 0.078 0.000 0.898 358 Q HN 0.303 nan 8.270 nan 0.000 0.426 359 F N 0.507 120.440 119.950 -0.029 0.000 2.146 359 F HA -0.187 4.339 4.527 -0.002 0.000 0.298 359 F C 2.016 177.790 175.800 -0.043 0.000 1.096 359 F CA 0.854 58.827 58.000 -0.045 0.000 1.275 359 F CB -0.120 38.844 39.000 -0.059 0.000 1.008 359 F HN -0.196 nan 8.300 nan 0.000 0.480 360 V N 0.344 120.271 119.914 0.023 0.000 2.332 360 V HA -0.318 3.802 4.120 -0.001 0.000 0.248 360 V C 2.188 178.208 176.094 -0.123 0.000 1.055 360 V CA 2.434 64.700 62.300 -0.057 0.000 1.038 360 V CB -0.624 31.206 31.823 0.012 0.000 0.651 360 V HN 0.355 nan 8.190 nan 0.000 0.450 361 E N -0.185 119.963 120.200 -0.087 0.000 2.112 361 E HA -0.107 4.242 4.350 -0.001 0.000 0.190 361 E C 1.669 178.196 176.600 -0.121 0.000 0.979 361 E CA 1.078 57.429 56.400 -0.081 0.000 0.814 361 E CB -0.041 29.634 29.700 -0.041 0.000 0.762 361 E HN 0.565 nan 8.360 nan 0.000 0.460 362 N N -0.635 117.966 118.700 -0.165 0.000 2.273 362 N HA 0.058 4.797 4.740 -0.001 0.000 0.192 362 N C -0.117 175.221 175.510 -0.286 0.000 1.132 362 N CA 0.253 53.198 53.050 -0.175 0.000 0.887 362 N CB 1.173 39.591 38.487 -0.115 0.000 1.048 362 N HN -0.173 nan 8.380 nan 0.000 0.490 363 S N 0.033 115.420 115.700 -0.522 0.000 3.521 363 S HA -0.145 4.324 4.470 -0.001 0.000 0.328 363 S C -0.138 174.116 174.600 -0.575 0.000 1.165 363 S CA 0.923 58.620 58.200 -0.839 0.000 0.941 363 S CB -1.640 61.273 63.200 -0.478 0.000 0.951 363 S HN 0.672 nan 8.310 nan 0.000 0.539 364 S N -0.769 114.735 115.700 -0.326 0.000 2.565 364 S HA 0.828 5.297 4.470 -0.001 0.000 0.269 364 S C -1.156 173.504 174.600 0.100 0.000 1.153 364 S CA -1.181 56.996 58.200 -0.038 0.000 0.835 364 S CB 1.786 64.896 63.200 -0.150 0.000 1.122 364 S HN 0.278 nan 8.310 nan 0.000 0.462 365 L N 0.831 122.110 121.223 0.093 0.000 2.401 365 L HA 0.601 4.940 4.340 -0.001 0.000 0.266 365 L C -0.833 176.028 176.870 -0.015 0.000 0.991 365 L CA -0.580 54.304 54.840 0.073 0.000 0.818 365 L CB 2.369 44.499 42.059 0.120 0.000 1.321 365 L HN 0.769 nan 8.230 nan 0.000 0.413 366 Q N 3.902 123.705 119.800 0.005 0.000 2.490 366 Q HA 0.524 4.863 4.340 -0.001 0.000 0.255 366 Q C -1.177 174.845 176.000 0.038 0.000 0.997 366 Q CA -0.238 55.557 55.803 -0.012 0.000 0.709 366 Q CB 2.335 31.062 28.738 -0.018 0.000 1.255 366 Q HN 0.492 nan 8.270 nan 0.000 0.486 367 I N 1.671 122.272 120.570 0.052 0.000 2.353 367 I HA 0.255 4.424 4.170 -0.001 0.000 0.293 367 I C 0.317 176.507 176.117 0.122 0.000 0.992 367 I CA -0.457 60.894 61.300 0.084 0.000 1.268 367 I CB 1.232 39.267 38.000 0.058 0.000 1.387 367 I HN 0.390 nan 8.210 nan 0.000 0.478 368 E N 3.522 123.823 120.200 0.167 0.000 2.248 368 E HA 0.331 4.680 4.350 -0.001 0.000 0.272 368 E C -0.161 176.613 176.600 0.289 0.000 1.008 368 E CA -0.617 55.898 56.400 0.191 0.000 0.856 368 E CB 1.297 31.095 29.700 0.164 0.000 1.120 368 E HN 0.588 nan 8.360 nan 0.000 0.397 369 S N 1.240 117.090 115.700 0.251 0.000 3.447 369 S HA -0.231 4.238 4.470 -0.001 0.000 0.371 369 S C 0.253 175.082 174.600 0.383 0.000 0.951 369 S CA 0.322 58.682 58.200 0.267 0.000 1.269 369 S CB -1.217 62.116 63.200 0.221 0.000 0.919 369 S HN 0.589 nan 8.310 nan 0.000 0.516 370 F N 1.230 121.271 119.950 0.152 0.000 2.060 370 F HA 0.137 4.664 4.527 -0.001 0.000 0.295 370 F C 1.003 176.895 175.800 0.153 0.000 1.120 370 F CA 1.248 59.314 58.000 0.110 0.000 1.205 370 F CB -0.017 39.006 39.000 0.039 0.000 0.986 370 F HN 0.392 nan 8.300 nan 0.000 0.470 371 L N 1.764 122.973 121.223 -0.023 0.000 2.417 371 L HA 0.103 4.443 4.340 -0.001 0.000 0.268 371 L C 0.638 177.453 176.870 -0.092 0.000 1.158 371 L CA -0.307 54.442 54.840 -0.152 0.000 0.819 371 L CB 0.258 42.305 42.059 -0.019 0.000 1.112 371 L HN 0.325 nan 8.230 nan 0.000 0.458 372 N N 0.463 119.065 118.700 -0.163 0.000 2.288 372 N HA -0.050 4.689 4.740 -0.001 0.000 0.237 372 N C -0.196 175.275 175.510 -0.066 0.000 1.311 372 N CA -0.778 52.197 53.050 -0.125 0.000 0.909 372 N CB 0.854 39.232 38.487 -0.181 0.000 1.167 372 N HN 0.521 nan 8.380 nan 0.000 0.476 373 D N 0.123 120.493 120.400 -0.050 0.000 2.123 373 D HA -0.197 4.443 4.640 -0.001 0.000 0.196 373 D C 1.288 177.570 176.300 -0.030 0.000 0.992 373 D CA 1.472 55.463 54.000 -0.015 0.000 0.833 373 D CB -0.591 40.196 40.800 -0.021 0.000 0.954 373 D HN 0.711 nan 8.370 nan 0.000 0.455 374 D N 0.143 120.493 120.400 -0.084 0.000 2.104 374 D HA -0.156 4.483 4.640 -0.001 0.000 0.194 374 D C 1.757 177.993 176.300 -0.107 0.000 0.994 374 D CA 1.339 55.276 54.000 -0.105 0.000 0.830 374 D CB 0.260 40.967 40.800 -0.155 0.000 0.959 374 D HN -0.123 nan 8.370 nan 0.000 0.452 375 K N 0.167 120.472 120.400 -0.158 0.000 2.116 375 K HA -0.014 4.305 4.320 -0.001 0.000 0.203 375 K C 2.267 178.890 176.600 0.039 0.000 1.052 375 K CA 0.680 56.880 56.287 -0.145 0.000 0.952 375 K CB -0.819 31.493 32.500 -0.314 0.000 0.729 375 K HN 0.121 nan 8.250 nan 0.000 0.446 376 S N 1.458 117.217 115.700 0.098 0.000 2.359 376 S HA -0.181 4.289 4.470 -0.001 0.000 0.224 376 S C 1.799 176.591 174.600 0.320 0.000 1.035 376 S CA 1.510 59.903 58.200 0.321 0.000 1.018 376 S CB -0.007 63.400 63.200 0.346 0.000 0.876 376 S HN 0.335 nan 8.310 nan 0.000 0.448 377 E N 0.212 120.489 120.200 0.128 0.000 2.072 377 E HA -0.121 4.229 4.350 -0.001 0.000 0.191 377 E C 2.093 178.710 176.600 0.029 0.000 0.985 377 E CA 1.273 57.698 56.400 0.041 0.000 0.801 377 E CB -0.290 29.409 29.700 -0.001 0.000 0.750 377 E HN 0.454 nan 8.360 nan 0.000 0.452 378 L N 0.937 122.181 121.223 0.034 0.000 1.994 378 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 378 L C 2.038 178.947 176.870 0.065 0.000 1.071 378 L CA 1.654 56.508 54.840 0.024 0.000 0.745 378 L CB -0.369 41.688 42.059 -0.004 0.000 0.892 378 L HN 0.102 nan 8.230 nan 0.000 0.431 379 L N -0.478 120.837 121.223 0.154 0.000 2.083 379 L HA -0.216 4.123 4.340 -0.001 0.000 0.209 379 L C 2.692 179.710 176.870 0.248 0.000 1.083 379 L CA 1.635 56.616 54.840 0.235 0.000 0.752 379 L CB -0.582 41.672 42.059 0.325 0.000 0.899 379 L HN 0.334 nan 8.230 nan 0.000 0.433 380 K N 0.546 121.039 120.400 0.154 0.000 2.057 380 K HA -0.251 4.068 4.320 -0.001 0.000 0.207 380 K C 2.237 178.706 176.600 -0.218 0.000 1.049 380 K CA 1.524 57.589 56.287 -0.370 0.000 0.931 380 K CB 0.027 32.077 32.500 -0.750 0.000 0.714 380 K HN 0.087 nan 8.250 nan 0.000 0.440 381 K N 0.590 120.922 120.400 -0.114 0.000 2.032 381 K HA -0.147 4.172 4.320 -0.001 0.000 0.209 381 K C 1.970 178.531 176.600 -0.066 0.000 1.048 381 K CA 1.869 58.106 56.287 -0.084 0.000 0.927 381 K CB -0.085 32.385 32.500 -0.050 0.000 0.712 381 K HN 0.182 nan 8.250 nan 0.000 0.441 382 V N -1.204 118.684 119.914 -0.043 0.000 2.453 382 V HA -0.120 3.999 4.120 -0.001 0.000 0.247 382 V C 2.122 178.159 176.094 -0.095 0.000 1.048 382 V CA 1.324 63.602 62.300 -0.037 0.000 1.049 382 V CB -0.560 31.264 31.823 0.001 0.000 0.672 382 V HN 0.250 nan 8.190 nan 0.000 0.457 383 I N 0.176 120.646 120.570 -0.165 0.000 2.202 383 I HA -0.164 4.005 4.170 -0.001 0.000 0.242 383 I C 2.845 178.842 176.117 -0.199 0.000 1.091 383 I CA 1.836 62.923 61.300 -0.355 0.000 1.368 383 I CB -0.406 37.294 38.000 -0.500 0.000 1.058 383 I HN 0.242 nan 8.210 nan 0.000 0.410 384 K N 0.205 120.523 120.400 -0.138 0.000 2.057 384 K HA -0.236 4.083 4.320 -0.001 0.000 0.207 384 K C 2.216 178.799 176.600 -0.029 0.000 1.049 384 K CA 1.150 57.394 56.287 -0.072 0.000 0.931 384 K CB -0.235 32.205 32.500 -0.100 0.000 0.714 384 K HN 0.277 nan 8.250 nan 0.000 0.440 385 Q N 1.701 121.479 119.800 -0.037 0.000 2.084 385 Q HA -0.200 4.139 4.340 -0.001 0.000 0.202 385 Q C 1.972 177.979 176.000 0.013 0.000 0.978 385 Q CA 1.676 57.472 55.803 -0.011 0.000 0.844 385 Q CB 0.017 28.747 28.738 -0.013 0.000 0.898 385 Q HN 0.214 nan 8.270 nan 0.000 0.426 386 K N -0.112 120.297 120.400 0.015 0.000 2.057 386 K HA -0.131 4.188 4.320 -0.001 0.000 0.206 386 K C 1.912 178.584 176.600 0.119 0.000 1.050 386 K CA 1.154 57.482 56.287 0.068 0.000 0.935 386 K CB 0.129 32.690 32.500 0.101 0.000 0.715 386 K HN 0.123 nan 8.250 nan 0.000 0.439 387 E N 0.585 120.865 120.200 0.134 0.000 2.077 387 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 387 E C 1.994 178.663 176.600 0.115 0.000 0.989 387 E CA 1.100 57.607 56.400 0.179 0.000 0.800 387 E CB 0.028 29.846 29.700 0.198 0.000 0.746 387 E HN 0.385 nan 8.360 nan 0.000 0.452 388 L N -0.171 121.095 121.223 0.072 0.000 2.416 388 L HA 0.041 4.380 4.340 -0.001 0.000 0.216 388 L C 1.655 178.548 176.870 0.038 0.000 1.098 388 L CA 0.561 55.431 54.840 0.050 0.000 0.840 388 L CB 0.060 42.137 42.059 0.030 0.000 0.981 388 L HN -0.012 nan 8.230 nan 0.000 0.462 389 E N -1.101 119.121 120.200 0.036 0.000 2.539 389 E HA 0.145 4.494 4.350 -0.001 0.000 0.215 389 E C 0.060 176.675 176.600 0.024 0.000 0.965 389 E CA -0.082 56.333 56.400 0.024 0.000 1.019 389 E CB 0.914 30.622 29.700 0.014 0.000 1.059 389 E HN 0.425 nan 8.360 nan 0.000 0.496 390 Q N 0.697 120.520 119.800 0.038 0.000 2.351 390 Q HA 0.301 4.640 4.340 -0.001 0.000 0.273 390 Q C -0.617 175.412 176.000 0.048 0.000 1.077 390 Q CA -0.771 55.051 55.803 0.032 0.000 0.843 390 Q CB 1.921 30.675 28.738 0.026 0.000 1.367 390 Q HN -0.064 nan 8.270 nan 0.000 0.449 391 E N 0.903 121.125 120.200 0.037 0.000 2.197 391 E HA 0.177 4.526 4.350 -0.001 0.000 0.281 391 E C -0.952 175.688 176.600 0.067 0.000 0.995 391 E CA -0.261 56.170 56.400 0.052 0.000 0.808 391 E CB 1.676 31.398 29.700 0.038 0.000 1.093 391 E HN 0.491 nan 8.360 nan 0.000 0.394 392 C N 5.678 125.048 119.300 0.116 0.000 2.388 392 C HA 0.439 4.898 4.460 -0.001 0.000 0.362 392 C C -2.069 173.036 174.990 0.192 0.000 1.266 392 C CA -1.641 57.450 59.018 0.123 0.000 2.028 392 C CB -0.074 27.787 27.740 0.201 0.000 2.440 392 C HN 0.504 nan 8.230 nan 0.000 0.547 393 P HA 0.136 nan 4.420 nan 0.000 0.271 393 P C -1.083 176.289 177.300 0.121 0.000 1.216 393 P CA 0.212 63.373 63.100 0.103 0.000 0.771 393 P CB 0.314 32.023 31.700 0.016 0.000 0.864 394 Y N 0.417 120.752 120.300 0.059 0.000 2.706 394 Y HA 0.227 4.776 4.550 -0.001 0.000 0.255 394 Y C 0.526 176.517 175.900 0.151 0.000 1.163 394 Y CA -0.106 58.046 58.100 0.087 0.000 1.174 394 Y CB 0.165 38.707 38.460 0.136 0.000 1.200 394 Y HN 0.477 nan 8.280 nan 0.000 0.544 395 H N -0.828 118.303 119.070 0.103 0.000 3.038 395 H HA 0.175 4.731 4.556 -0.001 0.000 0.362 395 H C 0.827 176.180 175.328 0.042 0.000 1.167 395 H CA 0.361 56.458 56.048 0.082 0.000 1.197 395 H CB 2.162 31.980 29.762 0.092 0.000 1.840 395 H HN 0.129 nan 8.280 nan 0.000 0.540 396 S N 3.470 119.148 115.700 -0.038 0.000 2.419 396 S HA -0.222 4.247 4.470 -0.001 0.000 0.235 396 S C 1.734 176.438 174.600 0.174 0.000 1.019 396 S CA 1.410 59.635 58.200 0.041 0.000 0.982 396 S CB -0.256 62.932 63.200 -0.021 0.000 0.789 396 S HN 0.741 nan 8.310 nan 0.000 0.490 397 K N 0.991 121.637 120.400 0.409 0.000 2.283 397 K HA -0.060 4.259 4.320 -0.001 0.000 0.202 397 K C 0.671 177.365 176.600 0.156 0.000 1.048 397 K CA 1.542 57.974 56.287 0.241 0.000 0.948 397 K CB -0.227 32.372 32.500 0.166 0.000 0.742 397 K HN 0.247 nan 8.250 nan 0.000 0.458 398 D N 1.075 121.576 120.400 0.169 0.000 2.360 398 D HA 0.053 4.693 4.640 -0.001 0.000 0.210 398 D C -0.117 176.249 176.300 0.111 0.000 1.047 398 D CA 0.078 54.148 54.000 0.116 0.000 0.854 398 D CB 0.503 41.372 40.800 0.114 0.000 0.936 398 D HN -0.025 nan 8.370 nan 0.000 0.514 399 V N 1.769 121.754 119.914 0.118 0.000 2.508 399 V HA 0.098 4.218 4.120 -0.001 0.000 0.281 399 V C 0.606 176.841 176.094 0.235 0.000 1.041 399 V CA 0.117 62.492 62.300 0.125 0.000 1.016 399 V CB 1.013 32.876 31.823 0.067 0.000 0.984 399 V HN -0.127 nan 8.190 nan 0.000 0.478 400 K N 2.806 123.354 120.400 0.246 0.000 2.295 400 K HA 0.784 5.104 4.320 -0.001 0.000 0.239 400 K C -0.094 176.659 176.600 0.255 0.000 0.991 400 K CA -0.777 55.617 56.287 0.178 0.000 0.845 400 K CB 1.851 34.407 32.500 0.093 0.000 1.197 400 K HN 0.735 nan 8.250 nan 0.000 0.441 401 A N 2.154 124.937 122.820 -0.061 0.000 2.587 401 A HA 0.065 4.384 4.320 -0.001 0.000 0.235 401 A C -1.651 176.024 177.584 0.151 0.000 1.044 401 A CA -0.399 51.649 52.037 0.019 0.000 0.754 401 A CB -0.402 18.477 19.000 -0.201 0.000 0.968 401 A HN 0.515 nan 8.150 nan 0.000 0.509 402 P HA 0.093 nan 4.420 nan 0.000 0.261 402 P C -0.679 176.506 177.300 -0.191 0.000 1.352 402 P CA 0.036 63.055 63.100 -0.135 0.000 0.891 402 P CB -0.032 31.508 31.700 -0.266 0.000 1.383 403 W N 1.331 122.671 121.300 0.067 0.000 2.375 403 W HA 0.428 5.088 4.660 -0.001 0.000 0.336 403 W C 0.775 177.177 176.519 -0.194 0.000 1.160 403 W CA -0.360 56.950 57.345 -0.060 0.000 1.266 403 W CB 1.134 30.583 29.460 -0.018 0.000 1.195 403 W HN -0.305 nan 8.180 nan 0.000 0.599 404 K N 0.631 120.889 120.400 -0.237 0.000 2.400 404 K HA 0.586 4.905 4.320 -0.001 0.000 0.246 404 K C -0.912 175.441 176.600 -0.411 0.000 0.995 404 K CA -1.017 54.962 56.287 -0.514 0.000 0.840 404 K CB 2.080 33.997 32.500 -0.971 0.000 1.293 404 K HN 0.188 nan 8.250 nan 0.000 0.445 405 T N 1.243 115.659 114.554 -0.230 0.000 2.758 405 T HA 0.367 4.716 4.350 -0.001 0.000 0.285 405 T C -0.383 174.328 174.700 0.018 0.000 0.981 405 T CA -0.639 61.393 62.100 -0.113 0.000 0.965 405 T CB 1.294 70.105 68.868 -0.096 0.000 0.927 405 T HN 0.646 nan 8.240 nan 0.000 0.448 406 A N 4.232 126.967 122.820 -0.141 0.000 2.511 406 A HA 0.628 4.947 4.320 -0.001 0.000 0.242 406 A C 0.266 177.727 177.584 -0.206 0.000 1.069 406 A CA -0.296 51.545 52.037 -0.327 0.000 0.763 406 A CB -0.495 17.753 19.000 -1.253 0.000 1.001 406 A HN 0.938 nan 8.150 nan 0.000 0.498 407 I N -0.311 120.215 120.570 -0.074 0.000 2.994 407 I HA 0.758 4.927 4.170 -0.001 0.000 0.306 407 I C -2.925 173.166 176.117 -0.042 0.000 1.195 407 I CA -2.831 58.445 61.300 -0.039 0.000 1.001 407 I CB 2.754 40.779 38.000 0.040 0.000 1.244 407 I HN 0.378 nan 8.210 nan 0.000 0.437 408 P HA 0.378 nan 4.420 nan 0.000 0.281 408 P C -2.433 174.833 177.300 -0.058 0.000 1.264 408 P CA -1.908 61.162 63.100 -0.049 0.000 0.824 408 P CB 0.831 32.540 31.700 0.014 0.000 1.092 409 P HA -0.100 nan 4.420 nan 0.000 0.237 409 P C 0.966 178.340 177.300 0.125 0.000 1.178 409 P CA 1.265 64.370 63.100 0.008 0.000 0.766 409 P CB -0.468 31.171 31.700 -0.102 0.000 0.876 410 H N -0.841 118.127 119.070 -0.171 0.000 2.539 410 H HA 0.275 4.831 4.556 -0.001 0.000 0.267 410 H C 0.944 176.304 175.328 0.054 0.000 0.982 410 H CA 0.169 56.184 56.048 -0.054 0.000 1.146 410 H CB -0.232 29.469 29.762 -0.101 0.000 1.382 410 H HN 0.145 nan 8.280 nan 0.000 0.577 411 K N -0.075 120.226 120.400 -0.164 0.000 2.424 411 K HA 0.549 4.868 4.320 -0.001 0.000 0.200 411 K C 0.172 176.747 176.600 -0.041 0.000 1.279 411 K CA 0.571 56.767 56.287 -0.152 0.000 0.918 411 K CB 1.230 33.552 32.500 -0.297 0.000 1.287 411 K HN 0.224 nan 8.250 nan 0.000 0.502 412 A N 1.201 123.892 122.820 -0.215 0.000 2.597 412 A HA 0.664 4.983 4.320 -0.001 0.000 0.292 412 A C -1.770 175.377 177.584 -0.729 0.000 1.057 412 A CA -0.675 51.003 52.037 -0.598 0.000 0.674 412 A CB 1.591 20.472 19.000 -0.198 0.000 1.278 412 A HN 0.112 nan 8.150 nan 0.000 0.416 413 R N 0.446 120.393 120.500 -0.921 0.000 2.515 413 R HA 0.629 4.968 4.340 -0.001 0.000 0.278 413 R C -2.015 174.133 176.300 -0.252 0.000 1.107 413 R CA -0.433 55.388 56.100 -0.466 0.000 0.945 413 R CB 1.534 31.700 30.300 -0.223 0.000 1.219 413 R HN 1.441 nan 8.270 nan 0.000 0.434 414 Y N 0.989 121.091 120.300 -0.330 0.000 2.774 414 Y HA 0.424 4.973 4.550 -0.002 0.000 0.346 414 Y C -2.000 173.738 175.900 -0.271 0.000 1.222 414 Y CA -1.353 56.465 58.100 -0.470 0.000 1.088 414 Y CB 1.023 38.891 38.460 -0.987 0.000 1.354 414 Y HN 0.292 nan 8.280 nan 0.000 0.455 415 L N 2.852 123.989 121.223 -0.143 0.000 2.325 415 L HA 0.620 4.959 4.340 -0.001 0.000 0.279 415 L C -1.028 176.077 176.870 0.392 0.000 1.054 415 L CA -1.033 53.793 54.840 -0.023 0.000 0.804 415 L CB 1.332 43.183 42.059 -0.347 0.000 1.200 415 L HN 0.819 nan 8.230 nan 0.000 0.436 416 Y N 0.752 121.289 120.300 0.395 0.000 2.571 416 Y HA 0.694 5.244 4.550 -0.001 0.000 0.341 416 Y C -1.172 174.851 175.900 0.205 0.000 1.076 416 Y CA -1.369 56.957 58.100 0.376 0.000 1.029 416 Y CB 1.079 39.703 38.460 0.272 0.000 1.308 416 Y HN 0.300 nan 8.280 nan 0.000 0.461 417 I N 3.333 123.938 120.570 0.060 0.000 2.330 417 I HA 0.257 4.426 4.170 -0.001 0.000 0.289 417 I C -0.477 175.743 176.117 0.172 0.000 1.001 417 I CA -0.421 60.797 61.300 -0.138 0.000 1.193 417 I CB 1.519 39.308 38.000 -0.352 0.000 1.345 417 I HN 0.842 nan 8.210 nan 0.000 0.461 418 D N 3.752 124.228 120.400 0.126 0.000 2.433 418 D HA 0.123 4.762 4.640 -0.001 0.000 0.211 418 D C 1.294 177.444 176.300 -0.250 0.000 1.114 418 D CA 0.374 54.454 54.000 0.134 0.000 0.837 418 D CB 0.767 41.735 40.800 0.281 0.000 0.984 418 D HN 0.710 nan 8.370 nan 0.000 0.505 419 G N 0.562 109.133 108.800 -0.381 0.000 2.162 419 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.260 419 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.260 419 G C 0.260 174.962 174.900 -0.329 0.000 0.976 419 G CA 0.517 45.236 45.100 -0.635 0.000 0.655 419 G HN 0.473 nan 8.290 nan 0.000 0.533 420 K N 0.905 121.196 120.400 -0.182 0.000 2.098 420 K HA 0.448 4.767 4.320 -0.001 0.000 0.244 420 K C 0.941 177.494 176.600 -0.078 0.000 1.014 420 K CA -0.253 55.977 56.287 -0.095 0.000 0.917 420 K CB 0.743 33.227 32.500 -0.026 0.000 1.072 420 K HN 0.599 nan 8.250 nan 0.000 0.477 421 E N 0.727 120.892 120.200 -0.058 0.000 2.418 421 E HA -0.121 4.228 4.350 -0.001 0.000 0.261 421 E C -0.731 175.843 176.600 -0.043 0.000 1.070 421 E CA -0.261 56.113 56.400 -0.044 0.000 0.931 421 E CB 0.259 29.932 29.700 -0.046 0.000 0.954 421 E HN 0.448 nan 8.360 nan 0.000 0.439 422 Y N 2.289 122.503 120.300 -0.143 0.000 2.712 422 Y HA -0.014 4.535 4.550 -0.001 0.000 0.333 422 Y C -0.275 175.480 175.900 -0.241 0.000 1.225 422 Y CA 0.235 58.230 58.100 -0.176 0.000 1.499 422 Y CB 0.541 38.917 38.460 -0.140 0.000 1.288 422 Y HN 0.409 nan 8.280 nan 0.000 0.575 423 R N 4.868 124.727 120.500 -1.067 0.000 2.621 423 R HA 0.295 4.634 4.340 -0.001 0.000 0.284 423 R C -1.623 173.775 176.300 -1.504 0.000 0.998 423 R CA -1.003 54.358 56.100 -1.233 0.000 0.895 423 R CB 1.665 31.215 30.300 -1.250 0.000 1.195 423 R HN 0.724 nan 8.270 nan 0.000 0.450 424 N N 2.833 120.799 118.700 -1.224 0.000 2.558 424 N HA 0.234 4.974 4.740 -0.001 0.000 0.285 424 N C -1.517 173.678 175.510 -0.524 0.000 1.112 424 N CA -0.299 52.296 53.050 -0.758 0.000 0.857 424 N CB 0.702 38.962 38.487 -0.378 0.000 1.376 424 N HN 0.293 nan 8.380 nan 0.000 0.526 425 F N 2.647 122.473 119.950 -0.207 0.000 2.377 425 F HA 0.360 4.886 4.527 -0.001 0.000 0.360 425 F C 1.611 177.382 175.800 -0.047 0.000 1.147 425 F CA -0.397 57.507 58.000 -0.160 0.000 1.170 425 F CB 1.223 40.081 39.000 -0.237 0.000 1.339 425 F HN 0.339 nan 8.300 nan 0.000 0.552 426 Q N 0.737 120.636 119.800 0.165 0.000 2.316 426 Q HA 0.133 4.473 4.340 -0.001 0.000 0.235 426 Q C 0.675 176.808 176.000 0.221 0.000 0.863 426 Q CA 0.411 56.337 55.803 0.205 0.000 0.939 426 Q CB 1.009 29.843 28.738 0.160 0.000 1.108 426 Q HN 0.650 nan 8.270 nan 0.000 0.522 427 T N -3.782 110.861 114.554 0.149 0.000 2.883 427 T HA 0.342 4.691 4.350 -0.001 0.000 0.296 427 T C 0.783 175.531 174.700 0.080 0.000 1.117 427 T CA -0.698 61.471 62.100 0.114 0.000 1.006 427 T CB 2.361 71.293 68.868 0.107 0.000 1.191 427 T HN -0.022 nan 8.240 nan 0.000 0.508 428 E N 0.473 120.705 120.200 0.054 0.000 2.085 428 E HA -0.199 4.151 4.350 -0.001 0.000 0.194 428 E C 2.229 178.890 176.600 0.101 0.000 0.994 428 E CA 1.544 57.983 56.400 0.065 0.000 0.801 428 E CB -0.493 29.236 29.700 0.049 0.000 0.743 428 E HN 0.767 nan 8.360 nan 0.000 0.453 429 A N 1.410 124.284 122.820 0.089 0.000 1.908 429 A HA -0.236 4.083 4.320 -0.001 0.000 0.218 429 A C 1.800 179.444 177.584 0.101 0.000 1.181 429 A CA 1.932 54.020 52.037 0.085 0.000 0.627 429 A CB -0.557 18.484 19.000 0.069 0.000 0.818 429 A HN 0.302 nan 8.150 nan 0.000 0.445 430 D N 0.110 120.585 120.400 0.125 0.000 2.123 430 D HA -0.149 4.490 4.640 -0.001 0.000 0.196 430 D C 1.858 178.323 176.300 0.274 0.000 0.992 430 D CA 1.400 55.508 54.000 0.179 0.000 0.833 430 D CB -0.372 40.553 40.800 0.209 0.000 0.954 430 D HN 0.563 nan 8.370 nan 0.000 0.455 431 I N 0.520 121.195 120.570 0.174 0.000 2.202 431 I HA -0.204 3.965 4.170 -0.001 0.000 0.242 431 I C 2.445 178.605 176.117 0.073 0.000 1.091 431 I CA 0.590 61.871 61.300 -0.030 0.000 1.368 431 I CB -0.172 37.805 38.000 -0.038 0.000 1.058 431 I HN -0.041 nan 8.210 nan 0.000 0.410 432 L N 0.421 121.702 121.223 0.096 0.000 2.083 432 L HA -0.231 4.109 4.340 -0.001 0.000 0.209 432 L C 2.596 179.505 176.870 0.065 0.000 1.083 432 L CA 1.471 56.352 54.840 0.069 0.000 0.752 432 L CB -0.660 41.443 42.059 0.074 0.000 0.899 432 L HN 0.338 nan 8.230 nan 0.000 0.433 433 E N 0.578 120.827 120.200 0.082 0.000 2.051 433 E HA -0.256 4.093 4.350 -0.001 0.000 0.192 433 E C 2.245 178.896 176.600 0.084 0.000 0.991 433 E CA 1.321 57.764 56.400 0.071 0.000 0.799 433 E CB -0.009 29.730 29.700 0.065 0.000 0.748 433 E HN 0.445 nan 8.360 nan 0.000 0.449 434 A N 0.937 123.841 122.820 0.139 0.000 1.902 434 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 434 A C 2.206 179.878 177.584 0.146 0.000 1.181 434 A CA 1.238 53.381 52.037 0.176 0.000 0.623 434 A CB -0.652 18.537 19.000 0.314 0.000 0.818 434 A HN 0.328 nan 8.150 nan 0.000 0.443 435 L N -0.650 120.641 121.223 0.113 0.000 2.141 435 L HA -0.141 4.198 4.340 -0.001 0.000 0.209 435 L C 2.316 179.195 176.870 0.014 0.000 1.094 435 L CA 1.426 56.289 54.840 0.039 0.000 0.763 435 L CB -0.458 41.579 42.059 -0.036 0.000 0.908 435 L HN 0.448 nan 8.230 nan 0.000 0.437 436 N N 0.412 119.126 118.700 0.023 0.000 2.494 436 N HA -0.093 4.646 4.740 -0.001 0.000 0.182 436 N C -0.129 175.391 175.510 0.017 0.000 1.076 436 N CA 0.568 53.626 53.050 0.014 0.000 0.908 436 N CB 0.114 38.610 38.487 0.016 0.000 0.967 436 N HN 0.294 nan 8.380 nan 0.000 0.449 437 N N -0.130 118.588 118.700 0.030 0.000 2.765 437 N HA 0.103 4.843 4.740 -0.001 0.000 0.277 437 N C -1.512 174.018 175.510 0.034 0.000 1.750 437 N CA -0.382 52.683 53.050 0.025 0.000 0.827 437 N CB 0.350 38.851 38.487 0.022 0.000 1.200 437 N HN 0.152 nan 8.380 nan 0.000 0.494 438 N N 2.127 120.845 118.700 0.029 0.000 2.458 438 N HA -0.029 4.710 4.740 -0.001 0.000 0.258 438 N C -1.068 174.456 175.510 0.023 0.000 1.219 438 N CA 0.598 53.669 53.050 0.035 0.000 0.902 438 N CB 0.701 39.199 38.487 0.018 0.000 1.076 438 N HN 0.444 nan 8.380 nan 0.000 0.455 439 D N 2.942 123.359 120.400 0.027 0.000 2.523 439 D HA 0.365 5.005 4.640 -0.001 0.000 0.236 439 D C -0.669 175.636 176.300 0.009 0.000 1.094 439 D CA -0.521 53.485 54.000 0.010 0.000 0.942 439 D CB 1.213 42.010 40.800 -0.005 0.000 1.447 439 D HN 0.301 nan 8.370 nan 0.000 0.479 440 L N -0.383 120.840 121.223 0.001 0.000 2.334 440 L HA 0.463 4.802 4.340 -0.001 0.000 0.272 440 L C -2.256 174.595 176.870 -0.031 0.000 1.020 440 L CA -2.092 52.746 54.840 -0.002 0.000 0.812 440 L CB 1.668 43.734 42.059 0.011 0.000 1.264 440 L HN 0.173 nan 8.230 nan 0.000 0.439 441 P HA 0.061 nan 4.420 nan 0.000 0.268 441 P C -1.037 176.169 177.300 -0.157 0.000 1.204 441 P CA -0.052 62.934 63.100 -0.191 0.000 0.768 441 P CB 0.378 31.947 31.700 -0.217 0.000 0.842 442 N N 2.664 121.231 118.700 -0.222 0.000 2.581 442 N HA 0.156 4.895 4.740 -0.001 0.000 0.279 442 N C 0.010 175.454 175.510 -0.111 0.000 1.124 442 N CA -0.289 52.725 53.050 -0.059 0.000 0.833 442 N CB 0.531 39.131 38.487 0.187 0.000 1.338 442 N HN 0.103 nan 8.380 nan 0.000 0.533 443 F N 1.403 121.379 119.950 0.045 0.000 2.206 443 F HA -0.079 4.447 4.527 -0.002 0.000 0.298 443 F C 2.518 178.320 175.800 0.002 0.000 1.090 443 F CA 0.809 58.822 58.000 0.022 0.000 1.323 443 F CB 0.234 39.244 39.000 0.017 0.000 1.028 443 F HN 0.486 nan 8.300 nan 0.000 0.492 444 Q N 0.089 119.957 119.800 0.113 0.000 2.079 444 Q HA -0.161 4.178 4.340 -0.001 0.000 0.200 444 Q C 1.913 177.894 176.000 -0.032 0.000 0.974 444 Q CA 1.771 57.565 55.803 -0.016 0.000 0.840 444 Q CB -0.622 28.031 28.738 -0.141 0.000 0.898 444 Q HN 0.327 nan 8.270 nan 0.000 0.430 445 F N -0.069 119.884 119.950 0.006 0.000 2.171 445 F HA -0.153 4.373 4.527 -0.002 0.000 0.300 445 F C 2.280 178.052 175.800 -0.047 0.000 1.090 445 F CA 1.635 59.620 58.000 -0.025 0.000 1.293 445 F CB -0.927 38.050 39.000 -0.038 0.000 1.013 445 F HN 0.076 nan 8.300 nan 0.000 0.486 446 T N -0.253 114.379 114.554 0.130 0.000 2.708 446 T HA -0.189 4.160 4.350 -0.001 0.000 0.266 446 T C 2.055 176.755 174.700 0.000 0.000 1.037 446 T CA 1.349 63.463 62.100 0.023 0.000 1.146 446 T CB -0.201 68.654 68.868 -0.022 0.000 0.865 446 T HN 0.177 nan 8.240 nan 0.000 0.435 447 K N 0.804 121.227 120.400 0.038 0.000 2.044 447 K HA -0.163 4.156 4.320 -0.001 0.000 0.210 447 K C 2.121 178.714 176.600 -0.012 0.000 1.049 447 K CA 1.682 57.977 56.287 0.013 0.000 0.927 447 K CB -0.255 32.269 32.500 0.040 0.000 0.713 447 K HN 0.290 nan 8.250 nan 0.000 0.443 448 D N 0.456 120.871 120.400 0.024 0.000 2.123 448 D HA -0.153 4.486 4.640 -0.001 0.000 0.196 448 D C 1.815 178.110 176.300 -0.008 0.000 0.992 448 D CA 1.406 55.425 54.000 0.031 0.000 0.833 448 D CB -0.250 40.614 40.800 0.108 0.000 0.954 448 D HN 0.229 nan 8.370 nan 0.000 0.455 449 A N 0.600 123.407 122.820 -0.021 0.000 1.933 449 A HA -0.125 4.195 4.320 -0.001 0.000 0.218 449 A C 2.389 179.866 177.584 -0.180 0.000 1.175 449 A CA 0.797 52.785 52.037 -0.081 0.000 0.628 449 A CB -0.691 18.259 19.000 -0.083 0.000 0.814 449 A HN 0.188 nan 8.150 nan 0.000 0.444 450 I N -0.832 119.586 120.570 -0.254 0.000 2.163 450 I HA -0.277 3.892 4.170 -0.001 0.000 0.243 450 I C 2.458 178.363 176.117 -0.355 0.000 1.085 450 I CA 1.691 62.685 61.300 -0.509 0.000 1.347 450 I CB -0.171 37.530 38.000 -0.498 0.000 1.044 450 I HN 0.172 nan 8.210 nan 0.000 0.408 451 K N 0.746 121.053 120.400 -0.154 0.000 2.103 451 K HA -0.122 4.198 4.320 -0.001 0.000 0.207 451 K C 1.840 178.417 176.600 -0.037 0.000 1.048 451 K CA 1.457 57.711 56.287 -0.055 0.000 0.930 451 K CB -0.264 32.226 32.500 -0.016 0.000 0.716 451 K HN 0.259 nan 8.250 nan 0.000 0.444 452 I N -0.019 120.518 120.570 -0.055 0.000 2.353 452 I HA -0.205 3.964 4.170 -0.001 0.000 0.248 452 I C 1.840 177.940 176.117 -0.028 0.000 1.119 452 I CA 0.941 62.222 61.300 -0.032 0.000 1.417 452 I CB -0.114 37.867 38.000 -0.032 0.000 1.078 452 I HN 0.074 nan 8.210 nan 0.000 0.421 453 I N -0.462 120.068 120.570 -0.067 0.000 2.252 453 I HA -0.295 3.874 4.170 -0.001 0.000 0.245 453 I C 2.715 178.889 176.117 0.095 0.000 1.102 453 I CA 1.295 62.587 61.300 -0.014 0.000 1.385 453 I CB -0.343 37.611 38.000 -0.075 0.000 1.064 453 I HN 0.167 nan 8.210 nan 0.000 0.414 454 S N 0.453 116.217 115.700 0.106 0.000 2.368 454 S HA -0.201 4.268 4.470 -0.001 0.000 0.224 454 S C 1.677 176.353 174.600 0.126 0.000 1.029 454 S CA 1.689 60.024 58.200 0.225 0.000 0.988 454 S CB -0.247 63.110 63.200 0.261 0.000 0.838 454 S HN 0.370 nan 8.310 nan 0.000 0.462 455 D N 1.178 121.622 120.400 0.073 0.000 2.219 455 D HA 0.085 4.724 4.640 -0.001 0.000 0.205 455 D C 1.987 178.314 176.300 0.045 0.000 0.970 455 D CA 1.028 55.059 54.000 0.052 0.000 0.851 455 D CB -0.416 40.404 40.800 0.034 0.000 0.943 455 D HN 0.473 nan 8.370 nan 0.000 0.488 456 A N 0.624 123.470 122.820 0.045 0.000 2.014 456 A HA -0.093 4.226 4.320 -0.001 0.000 0.218 456 A C 2.288 179.900 177.584 0.045 0.000 1.163 456 A CA 1.730 53.789 52.037 0.037 0.000 0.652 456 A CB -0.257 18.759 19.000 0.028 0.000 0.808 456 A HN 0.298 nan 8.150 nan 0.000 0.449 457 S N -2.696 113.044 115.700 0.067 0.000 2.439 457 S HA 0.400 4.869 4.470 -0.001 0.000 0.224 457 S C 1.486 176.119 174.600 0.054 0.000 1.029 457 S CA 1.287 59.526 58.200 0.066 0.000 0.946 457 S CB 0.150 63.406 63.200 0.094 0.000 0.797 457 S HN 1.697 nan 8.310 nan 0.000 0.504 458 G N 1.581 110.417 108.800 0.059 0.000 2.336 458 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.194 458 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.194 458 G C 0.154 175.086 174.900 0.053 0.000 0.999 458 G CA -0.086 45.042 45.100 0.047 0.000 0.669 458 G HN 0.740 nan 8.290 nan 0.000 0.482 459 N N 0.220 118.962 118.700 0.071 0.000 2.726 459 N HA -0.193 4.547 4.740 -0.001 0.000 0.253 459 N C 0.432 175.970 175.510 0.047 0.000 1.059 459 N CA 0.918 54.014 53.050 0.076 0.000 0.701 459 N CB -1.085 37.452 38.487 0.084 0.000 0.899 459 N HN 1.430 nan 8.380 nan 0.000 0.548 460 S N 0.092 115.811 115.700 0.031 0.000 2.713 460 S HA 0.412 4.882 4.470 -0.001 0.000 0.277 460 S C 1.299 175.905 174.600 0.009 0.000 1.168 460 S CA -0.651 57.560 58.200 0.018 0.000 0.994 460 S CB 1.377 64.584 63.200 0.013 0.000 1.054 460 S HN 0.407 nan 8.310 nan 0.000 0.555 461 R N 0.190 120.693 120.500 0.006 0.000 2.193 461 R HA -0.038 4.301 4.340 -0.001 0.000 0.229 461 R C 1.618 177.915 176.300 -0.005 0.000 1.110 461 R CA 1.451 57.553 56.100 0.003 0.000 0.988 461 R CB -0.280 30.023 30.300 0.004 0.000 0.871 461 R HN 0.690 nan 8.270 nan 0.000 0.458 462 E N -0.453 119.742 120.200 -0.008 0.000 2.230 462 E HA -0.007 4.342 4.350 -0.001 0.000 0.192 462 E C 0.773 177.349 176.600 -0.041 0.000 0.987 462 E CA 0.701 57.092 56.400 -0.014 0.000 0.841 462 E CB 0.282 29.978 29.700 -0.007 0.000 0.783 462 E HN 0.152 nan 8.360 nan 0.000 0.481 463 N N 0.372 119.038 118.700 -0.057 0.000 2.143 463 N HA 0.039 4.779 4.740 -0.001 0.000 0.222 463 N C -0.772 174.604 175.510 -0.222 0.000 1.264 463 N CA -0.094 52.881 53.050 -0.125 0.000 0.897 463 N CB 0.132 38.581 38.487 -0.062 0.000 1.092 463 N HN 0.197 nan 8.380 nan 0.000 0.516 464 N N -0.225 118.405 118.700 -0.117 0.000 2.415 464 N HA 0.016 4.756 4.740 -0.001 0.000 0.248 464 N C -0.372 175.047 175.510 -0.153 0.000 1.271 464 N CA 0.072 53.094 53.050 -0.045 0.000 0.913 464 N CB 0.241 38.749 38.487 0.035 0.000 1.129 464 N HN -0.125 nan 8.380 nan 0.000 0.444 465 F N -0.908 119.099 119.950 0.095 0.000 2.837 465 F HA 0.283 4.810 4.527 -0.001 0.000 0.298 465 F C 0.802 176.666 175.800 0.107 0.000 1.161 465 F CA -0.537 57.537 58.000 0.123 0.000 1.353 465 F CB 0.158 39.222 39.000 0.107 0.000 0.951 465 F HN 0.460 nan 8.300 nan 0.000 0.508 466 D N 0.834 121.350 120.400 0.194 0.000 2.149 466 D HA -0.202 4.438 4.640 -0.001 0.000 0.198 466 D C 2.350 178.729 176.300 0.131 0.000 0.990 466 D CA 1.422 55.504 54.000 0.138 0.000 0.839 466 D CB -0.127 40.722 40.800 0.081 0.000 0.948 466 D HN 0.323 nan 8.370 nan 0.000 0.460 467 A N 0.894 123.793 122.820 0.130 0.000 1.873 467 A HA -0.191 4.128 4.320 -0.001 0.000 0.215 467 A C 2.134 179.838 177.584 0.200 0.000 1.186 467 A CA 1.593 53.692 52.037 0.104 0.000 0.616 467 A CB -0.533 18.484 19.000 0.028 0.000 0.823 467 A HN 0.093 nan 8.150 nan 0.000 0.442 468 E N 0.115 120.501 120.200 0.310 0.000 2.077 468 E HA -0.123 4.226 4.350 -0.001 0.000 0.193 468 E C 1.914 178.623 176.600 0.182 0.000 0.989 468 E CA 1.153 57.726 56.400 0.289 0.000 0.800 468 E CB -0.341 29.574 29.700 0.359 0.000 0.746 468 E HN 0.625 nan 8.360 nan 0.000 0.452 469 L N 0.064 121.396 121.223 0.182 0.000 2.056 469 L HA -0.154 4.186 4.340 -0.001 0.000 0.207 469 L C 2.410 179.347 176.870 0.112 0.000 1.078 469 L CA 1.137 56.054 54.840 0.127 0.000 0.749 469 L CB -0.477 41.655 42.059 0.122 0.000 0.901 469 L HN 0.164 nan 8.230 nan 0.000 0.433 470 A N -0.076 122.814 122.820 0.117 0.000 1.930 470 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 470 A C 2.249 179.905 177.584 0.121 0.000 1.175 470 A CA 1.342 53.447 52.037 0.113 0.000 0.627 470 A CB -0.619 18.441 19.000 0.100 0.000 0.815 470 A HN 0.351 nan 8.150 nan 0.000 0.443 471 L N -0.742 120.555 121.223 0.124 0.000 2.093 471 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 471 L C 2.392 179.293 176.870 0.052 0.000 1.085 471 L CA 0.988 55.898 54.840 0.117 0.000 0.755 471 L CB -0.394 41.778 42.059 0.187 0.000 0.904 471 L HN 0.361 nan 8.230 nan 0.000 0.435 472 I N -0.360 120.243 120.570 0.054 0.000 2.252 472 I HA -0.275 3.894 4.170 -0.001 0.000 0.245 472 I C 2.036 178.127 176.117 -0.044 0.000 1.102 472 I CA 1.040 62.342 61.300 0.004 0.000 1.385 472 I CB -0.362 37.702 38.000 0.107 0.000 1.064 472 I HN 0.233 nan 8.210 nan 0.000 0.414 473 D N 0.713 121.132 120.400 0.032 0.000 2.123 473 D HA -0.194 4.446 4.640 -0.001 0.000 0.196 473 D C 2.015 178.288 176.300 -0.045 0.000 0.992 473 D CA 1.196 55.227 54.000 0.052 0.000 0.833 473 D CB -0.284 40.604 40.800 0.147 0.000 0.954 473 D HN 0.178 nan 8.370 nan 0.000 0.455 474 L N 0.835 122.026 121.223 -0.053 0.000 2.046 474 L HA -0.063 4.277 4.340 -0.001 0.000 0.208 474 L C 2.115 178.908 176.870 -0.128 0.000 1.077 474 L CA 1.831 56.551 54.840 -0.200 0.000 0.747 474 L CB -0.829 41.234 42.059 0.006 0.000 0.896 474 L HN -0.022 nan 8.230 nan 0.000 0.432 475 A N -1.074 121.646 122.820 -0.167 0.000 1.908 475 A HA -0.168 4.151 4.320 -0.001 0.000 0.218 475 A C 2.273 179.654 177.584 -0.339 0.000 1.181 475 A CA 2.079 53.921 52.037 -0.326 0.000 0.627 475 A CB -1.159 17.409 19.000 -0.720 0.000 0.818 475 A HN 0.319 nan 8.150 nan 0.000 0.445 476 V N -1.202 118.539 119.914 -0.288 0.000 2.407 476 V HA -0.246 3.874 4.120 -0.001 0.000 0.248 476 V C 2.254 178.303 176.094 -0.075 0.000 1.055 476 V CA 2.038 64.252 62.300 -0.143 0.000 1.049 476 V CB -0.955 30.845 31.823 -0.038 0.000 0.662 476 V HN 0.667 nan 8.190 nan 0.000 0.455 477 F N 0.510 120.270 119.950 -0.317 0.000 2.095 477 F HA -0.240 4.286 4.527 -0.001 0.000 0.298 477 F C 2.535 178.114 175.800 -0.368 0.000 1.104 477 F CA 2.041 59.793 58.000 -0.414 0.000 1.232 477 F CB -0.323 38.050 39.000 -1.044 0.000 0.987 477 F HN 0.257 nan 8.300 nan 0.000 0.475 478 H N -0.022 118.789 119.070 -0.432 0.000 2.524 478 H HA -0.071 4.484 4.556 -0.001 0.000 0.282 478 H C 1.925 177.201 175.328 -0.086 0.000 1.016 478 H CA 1.315 57.028 56.048 -0.558 0.000 1.270 478 H CB -0.169 29.314 29.762 -0.464 0.000 1.394 478 H HN 0.372 nan 8.280 nan 0.000 0.568 479 K N 1.937 122.346 120.400 0.016 0.000 2.418 479 K HA -0.025 4.294 4.320 -0.001 0.000 0.195 479 K C 0.616 177.273 176.600 0.095 0.000 1.035 479 K CA 0.003 56.352 56.287 0.105 0.000 1.003 479 K CB 0.331 32.867 32.500 0.061 0.000 0.793 479 K HN 0.106 nan 8.250 nan 0.000 0.494 480 S N -0.392 115.314 115.700 0.010 0.000 2.572 480 S HA 0.018 4.487 4.470 -0.001 0.000 0.279 480 S C 0.922 175.535 174.600 0.021 0.000 1.341 480 S CA -0.319 57.873 58.200 -0.014 0.000 1.043 480 S CB 1.432 64.604 63.200 -0.048 0.000 0.887 480 S HN 0.177 nan 8.310 nan 0.000 0.516 481 T N 2.785 117.330 114.554 -0.015 0.000 2.720 481 T HA -0.088 4.261 4.350 -0.001 0.000 0.268 481 T C 1.646 176.336 174.700 -0.016 0.000 1.037 481 T CA 1.763 63.881 62.100 0.031 0.000 1.144 481 T CB -0.546 68.303 68.868 -0.031 0.000 0.864 481 T HN 0.643 nan 8.240 nan 0.000 0.444 482 I N 0.178 120.650 120.570 -0.163 0.000 2.315 482 I HA -0.093 4.076 4.170 -0.001 0.000 0.248 482 I C 2.079 178.154 176.117 -0.069 0.000 1.117 482 I CA 1.152 62.361 61.300 -0.152 0.000 1.404 482 I CB -0.367 37.490 38.000 -0.237 0.000 1.071 482 I HN 0.170 nan 8.210 nan 0.000 0.419 483 F N 2.037 121.853 119.950 -0.224 0.000 2.134 483 F HA -0.231 4.296 4.527 -0.001 0.000 0.299 483 F C 2.399 178.110 175.800 -0.148 0.000 1.097 483 F CA 1.726 59.557 58.000 -0.281 0.000 1.264 483 F CB -0.126 38.497 39.000 -0.628 0.000 1.001 483 F HN -0.181 nan 8.300 nan 0.000 0.479 484 K N 0.243 120.491 120.400 -0.254 0.000 2.211 484 K HA -0.149 4.170 4.320 -0.001 0.000 0.203 484 K C 1.980 178.161 176.600 -0.699 0.000 1.050 484 K CA 1.266 57.228 56.287 -0.542 0.000 0.945 484 K CB -0.088 32.227 32.500 -0.310 0.000 0.732 484 K HN 0.282 nan 8.250 nan 0.000 0.451 485 K N -0.196 120.050 120.400 -0.257 0.000 2.057 485 K HA -0.194 4.125 4.320 -0.001 0.000 0.207 485 K C 2.058 178.494 176.600 -0.273 0.000 1.049 485 K CA 1.464 57.661 56.287 -0.149 0.000 0.931 485 K CB -0.225 32.269 32.500 -0.010 0.000 0.714 485 K HN 0.169 nan 8.250 nan 0.000 0.440 486 Y N 1.670 121.705 120.300 -0.441 0.000 2.181 486 Y HA -0.219 4.330 4.550 -0.001 0.000 0.288 486 Y C 2.048 177.630 175.900 -0.530 0.000 1.146 486 Y CA 1.042 58.888 58.100 -0.423 0.000 1.164 486 Y CB -0.306 37.941 38.460 -0.354 0.000 0.982 486 Y HN -0.056 nan 8.280 nan 0.000 0.515 487 L N 0.761 121.452 121.223 -0.887 0.000 2.042 487 L HA -0.121 4.219 4.340 -0.001 0.000 0.210 487 L C 2.482 178.890 176.870 -0.770 0.000 1.076 487 L CA 2.197 56.471 54.840 -0.942 0.000 0.749 487 L CB -1.291 40.094 42.059 -1.124 0.000 0.893 487 L HN 0.283 nan 8.230 nan 0.000 0.432 488 A N -0.792 121.608 122.820 -0.700 0.000 1.902 488 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 488 A C 2.236 179.586 177.584 -0.389 0.000 1.181 488 A CA 1.889 53.608 52.037 -0.529 0.000 0.623 488 A CB -1.008 17.698 19.000 -0.489 0.000 0.818 488 A HN 0.482 nan 8.150 nan 0.000 0.443 489 L N -0.059 120.941 121.223 -0.372 0.000 2.017 489 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 489 L C 2.286 178.967 176.870 -0.315 0.000 1.073 489 L CA 1.743 56.417 54.840 -0.276 0.000 0.745 489 L CB -0.487 41.444 42.059 -0.213 0.000 0.894 489 L HN 0.417 nan 8.230 nan 0.000 0.432 490 L N -1.048 119.879 121.223 -0.493 0.000 2.083 490 L HA -0.165 4.174 4.340 -0.001 0.000 0.209 490 L C 2.228 178.845 176.870 -0.421 0.000 1.083 490 L CA 1.819 56.389 54.840 -0.450 0.000 0.752 490 L CB -1.100 40.609 42.059 -0.583 0.000 0.899 490 L HN 0.543 nan 8.230 nan 0.000 0.433 491 T N -6.452 107.777 114.554 -0.542 0.000 2.990 491 T HA 0.101 4.450 4.350 -0.001 0.000 0.250 491 T C 1.049 175.633 174.700 -0.194 0.000 1.041 491 T CA 0.471 62.187 62.100 -0.641 0.000 1.010 491 T CB 0.465 68.763 68.868 -0.950 0.000 1.003 491 T HN 0.168 nan 8.240 nan 0.000 0.499 492 S N 0.685 116.275 115.700 -0.183 0.000 3.521 492 S HA -0.114 4.356 4.470 -0.001 0.000 0.328 492 S C -0.058 174.490 174.600 -0.086 0.000 1.165 492 S CA 0.449 58.591 58.200 -0.096 0.000 0.941 492 S CB -2.126 61.061 63.200 -0.023 0.000 0.951 492 S HN 0.676 nan 8.310 nan 0.000 0.539 493 L N 0.038 121.165 121.223 -0.160 0.000 2.346 493 L HA 0.536 4.875 4.340 -0.001 0.000 0.274 493 L C 0.144 176.887 176.870 -0.211 0.000 1.007 493 L CA -0.791 53.967 54.840 -0.137 0.000 0.818 493 L CB 1.775 43.763 42.059 -0.118 0.000 1.284 493 L HN 0.205 nan 8.230 nan 0.000 0.424 494 c N 3.467 121.987 118.600 -0.133 0.000 2.239 494 c HA 0.390 4.959 4.570 -0.001 0.000 0.325 494 c C -2.136 171.879 174.090 -0.126 0.000 1.231 494 c CA -1.454 54.798 56.329 -0.127 0.000 1.652 494 c CB 0.693 43.229 42.510 0.044 0.000 2.284 494 c HN 0.423 nan 8.230 nan 0.000 0.499 495 P HA 0.120 nan 4.420 nan 0.000 0.271 495 P C 0.472 177.833 177.300 0.101 0.000 1.216 495 P CA 0.317 63.317 63.100 -0.166 0.000 0.771 495 P CB 0.543 31.972 31.700 -0.451 0.000 0.864 496 V N -0.186 119.816 119.914 0.147 0.000 3.398 496 V HA 0.338 4.457 4.120 -0.001 0.000 0.298 496 V C 0.165 176.351 176.094 0.154 0.000 1.496 496 V CA 0.408 62.804 62.300 0.159 0.000 1.044 496 V CB -0.185 31.701 31.823 0.105 0.000 0.880 496 V HN 0.601 nan 8.190 nan 0.000 0.443 497 S N 0.296 116.117 115.700 0.202 0.000 2.615 497 S HA 0.788 5.257 4.470 -0.001 0.000 0.269 497 S C -1.176 173.582 174.600 0.264 0.000 1.161 497 S CA -0.068 58.241 58.200 0.181 0.000 0.817 497 S CB 2.524 65.795 63.200 0.119 0.000 1.131 497 S HN 0.882 nan 8.310 nan 0.000 0.467 498 E N 0.258 120.556 120.200 0.162 0.000 2.372 498 E HA 0.565 4.914 4.350 -0.001 0.000 0.279 498 E C -1.648 174.934 176.600 -0.031 0.000 0.946 498 E CA -0.859 55.574 56.400 0.055 0.000 0.769 498 E CB 1.857 31.675 29.700 0.197 0.000 1.230 498 E HN 0.731 nan 8.360 nan 0.000 0.442 499 Q N 2.800 122.500 119.800 -0.167 0.000 2.285 499 Q HA 0.508 4.847 4.340 -0.001 0.000 0.269 499 Q C -1.722 174.192 176.000 -0.143 0.000 1.030 499 Q CA -0.704 55.043 55.803 -0.093 0.000 0.788 499 Q CB 1.693 30.380 28.738 -0.085 0.000 1.266 499 Q HN 0.688 nan 8.270 nan 0.000 0.438 500 I N 4.697 125.273 120.570 0.010 0.000 2.436 500 I HA 0.444 4.614 4.170 -0.001 0.000 0.289 500 I C -0.947 175.265 176.117 0.158 0.000 1.010 500 I CA -0.663 60.647 61.300 0.016 0.000 1.098 500 I CB 1.663 39.667 38.000 0.006 0.000 1.266 500 I HN 0.471 nan 8.210 nan 0.000 0.434 501 L N 6.728 128.003 121.223 0.086 0.000 2.386 501 L HA 0.604 4.944 4.340 -0.001 0.000 0.271 501 L C -0.704 176.254 176.870 0.147 0.000 0.993 501 L CA -0.716 54.224 54.840 0.167 0.000 0.819 501 L CB 2.525 44.653 42.059 0.115 0.000 1.294 501 L HN 0.452 nan 8.230 nan 0.000 0.414 502 I N 2.862 123.556 120.570 0.206 0.000 2.331 502 I HA 0.407 4.576 4.170 -0.001 0.000 0.292 502 I C -0.107 176.196 176.117 0.310 0.000 0.998 502 I CA -0.299 61.128 61.300 0.212 0.000 1.267 502 I CB 1.016 39.120 38.000 0.173 0.000 1.386 502 I HN 0.503 nan 8.210 nan 0.000 0.476 503 R N 5.529 126.202 120.500 0.290 0.000 2.670 503 R HA 0.653 4.993 4.340 -0.001 0.000 0.289 503 R C -0.670 175.690 176.300 0.100 0.000 0.965 503 R CA -0.994 55.227 56.100 0.201 0.000 0.899 503 R CB 2.609 32.888 30.300 -0.035 0.000 1.173 503 R HN 0.517 nan 8.270 nan 0.000 0.456 504 R N 2.828 123.222 120.500 -0.176 0.000 2.476 504 R HA 0.322 4.661 4.340 -0.001 0.000 0.305 504 R C -1.464 174.497 176.300 -0.565 0.000 0.965 504 R CA -0.491 55.260 56.100 -0.582 0.000 0.867 504 R CB 0.866 30.468 30.300 -1.162 0.000 1.176 504 R HN 0.440 nan 8.270 nan 0.000 0.447 505 F N 4.136 123.883 119.950 -0.337 0.000 2.332 505 F HA 0.462 4.989 4.527 -0.002 0.000 0.368 505 F C 0.528 176.176 175.800 -0.253 0.000 1.110 505 F CA -0.647 57.216 58.000 -0.229 0.000 1.087 505 F CB 1.238 40.132 39.000 -0.177 0.000 1.235 505 F HN 0.280 nan 8.300 nan 0.000 0.470 506 R N 3.682 124.064 120.500 -0.197 0.000 2.438 506 R HA 0.278 4.617 4.340 -0.001 0.000 0.287 506 R C -2.488 173.671 176.300 -0.236 0.000 1.077 506 R CA -1.690 54.253 56.100 -0.261 0.000 1.034 506 R CB 0.122 30.097 30.300 -0.542 0.000 0.993 506 R HN 0.244 nan 8.270 nan 0.000 0.459 507 P HA -0.056 nan 4.420 nan 0.000 0.262 507 P C 0.510 177.362 177.300 -0.745 0.000 1.182 507 P CA 1.023 63.947 63.100 -0.293 0.000 0.761 507 P CB 0.641 32.295 31.700 -0.077 0.000 0.795 508 G N 2.594 110.807 108.800 -0.978 0.000 2.184 508 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.264 508 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.264 508 G C 0.649 175.278 174.900 -0.452 0.000 0.975 508 G CA 0.344 44.591 45.100 -1.423 0.000 0.642 508 G HN 0.447 nan 8.290 nan 0.000 0.536 509 M N -0.912 118.526 119.600 -0.271 0.000 2.227 509 M HA 0.267 4.746 4.480 -0.001 0.000 0.226 509 M C -0.314 176.133 176.300 0.244 0.000 1.423 509 M CA 0.593 55.893 55.300 -0.001 0.000 1.055 509 M CB 0.085 32.523 32.600 -0.269 0.000 1.572 509 M HN 0.036 nan 8.290 nan 0.000 0.567 510 D N 1.007 121.496 120.400 0.149 0.000 2.252 510 D HA 0.711 5.350 4.640 -0.001 0.000 0.245 510 D C -0.874 175.753 176.300 0.545 0.000 1.009 510 D CA 0.013 54.178 54.000 0.276 0.000 0.870 510 D CB 2.110 42.966 40.800 0.093 0.000 1.251 510 D HN 0.091 nan 8.370 nan 0.000 0.460 511 F N -2.132 118.067 119.950 0.416 0.000 2.799 511 F HA 0.536 5.063 4.527 -0.001 0.000 0.316 511 F C -1.106 174.916 175.800 0.370 0.000 1.155 511 F CA -1.053 57.148 58.000 0.334 0.000 0.916 511 F CB 0.895 40.056 39.000 0.268 0.000 1.294 511 F HN 0.253 nan 8.300 nan 0.000 0.447 512 T N -0.191 114.561 114.554 0.331 0.000 2.907 512 T HA 0.856 5.205 4.350 -0.001 0.000 0.290 512 T C -1.186 173.715 174.700 0.335 0.000 1.066 512 T CA -0.947 61.283 62.100 0.217 0.000 1.012 512 T CB 1.968 70.917 68.868 0.134 0.000 1.184 512 T HN 0.869 nan 8.240 nan 0.000 0.522 513 L N 0.658 121.990 121.223 0.182 0.000 2.303 513 L HA 0.743 5.082 4.340 -0.001 0.000 0.266 513 L C 0.636 177.495 176.870 -0.018 0.000 1.011 513 L CA -1.765 53.072 54.840 -0.005 0.000 0.818 513 L CB 1.537 43.598 42.059 0.003 0.000 1.326 513 L HN 0.994 nan 8.230 nan 0.000 0.435 514 A N 1.221 123.945 122.820 -0.161 0.000 2.515 514 A HA 0.449 4.768 4.320 -0.001 0.000 0.263 514 A C 0.190 177.770 177.584 -0.006 0.000 1.096 514 A CA 0.245 52.289 52.037 0.012 0.000 0.769 514 A CB -0.725 18.259 19.000 -0.028 0.000 1.040 514 A HN 0.716 nan 8.150 nan 0.000 0.505 515 T N 0.634 115.192 114.554 0.007 0.000 2.883 515 T HA 0.652 5.001 4.350 -0.001 0.000 0.296 515 T C -0.448 174.227 174.700 -0.041 0.000 1.117 515 T CA -1.032 61.048 62.100 -0.032 0.000 1.006 515 T CB 1.249 70.089 68.868 -0.048 0.000 1.191 515 T HN 0.592 nan 8.240 nan 0.000 0.508 516 K N 0.327 120.687 120.400 -0.066 0.000 2.090 516 K HA 0.607 4.927 4.320 -0.001 0.000 0.249 516 K C 0.744 177.273 176.600 -0.119 0.000 0.995 516 K CA -0.936 55.297 56.287 -0.090 0.000 0.914 516 K CB 0.760 33.187 32.500 -0.122 0.000 1.057 516 K HN 0.945 nan 8.250 nan 0.000 0.462 517 C N -0.180 119.032 119.300 -0.146 0.000 2.700 517 C HA 0.342 4.801 4.460 -0.001 0.000 0.397 517 C C 0.350 175.183 174.990 -0.260 0.000 1.301 517 C CA -0.828 58.095 59.018 -0.158 0.000 2.219 517 C CB -0.244 27.431 27.740 -0.108 0.000 2.699 517 C HN 0.846 nan 8.230 nan 0.000 0.669 518 R N 1.529 121.929 120.500 -0.167 0.000 2.288 518 R HA 0.520 4.860 4.340 -0.001 0.000 0.326 518 R C -1.059 175.235 176.300 -0.010 0.000 0.959 518 R CA -0.519 55.493 56.100 -0.146 0.000 0.834 518 R CB 0.301 30.549 30.300 -0.086 0.000 1.157 518 R HN 0.709 nan 8.270 nan 0.000 0.470 519 F N 1.971 121.916 119.950 -0.009 0.000 2.459 519 F HA 0.091 4.618 4.527 -0.000 0.000 0.346 519 F C 1.249 177.045 175.800 -0.007 0.000 1.128 519 F CA -0.630 57.370 58.000 -0.001 0.000 1.268 519 F CB 0.397 39.399 39.000 0.002 0.000 1.161 519 F HN 0.424 nan 8.300 nan 0.000 0.583 520 N N 3.011 121.839 118.700 0.213 0.000 2.406 520 N HA -0.044 4.695 4.740 -0.001 0.000 0.269 520 N C 1.159 176.715 175.510 0.076 0.000 1.210 520 N CA 0.104 53.214 53.050 0.100 0.000 0.966 520 N CB 0.259 38.787 38.487 0.069 0.000 1.293 520 N HN 0.697 nan 8.380 nan 0.000 0.491 521 E N 2.351 122.592 120.200 0.068 0.000 2.265 521 E HA -0.203 4.146 4.350 -0.001 0.000 0.196 521 E C 1.400 178.016 176.600 0.026 0.000 0.996 521 E CA 0.637 57.068 56.400 0.052 0.000 0.832 521 E CB -0.028 29.696 29.700 0.039 0.000 0.756 521 E HN 0.369 nan 8.360 nan 0.000 0.491 522 L N 0.280 121.515 121.223 0.020 0.000 2.376 522 L HA -0.016 4.324 4.340 -0.001 0.000 0.219 522 L C 1.440 178.314 176.870 0.008 0.000 1.133 522 L CA 0.923 55.770 54.840 0.012 0.000 0.816 522 L CB 0.172 42.237 42.059 0.010 0.000 0.933 522 L HN 0.130 nan 8.230 nan 0.000 0.449 523 L N -1.715 119.511 121.223 0.005 0.000 2.693 523 L HA 0.132 4.471 4.340 -0.001 0.000 0.235 523 L C 1.897 178.748 176.870 -0.032 0.000 1.127 523 L CA 0.489 55.324 54.840 -0.008 0.000 0.914 523 L CB -0.440 41.616 42.059 -0.005 0.000 1.193 523 L HN 0.050 nan 8.230 nan 0.000 0.502 524 K N -0.671 119.713 120.400 -0.026 0.000 2.147 524 K HA -0.036 4.283 4.320 -0.001 0.000 0.205 524 K C 1.803 178.379 176.600 -0.040 0.000 1.049 524 K CA 1.302 57.563 56.287 -0.044 0.000 0.936 524 K CB 0.016 32.510 32.500 -0.010 0.000 0.722 524 K HN 0.178 nan 8.250 nan 0.000 0.446 525 S N 0.651 116.338 115.700 -0.022 0.000 2.562 525 S HA -0.034 4.435 4.470 -0.001 0.000 0.221 525 S C 0.405 174.994 174.600 -0.019 0.000 0.975 525 S CA -0.068 58.122 58.200 -0.017 0.000 0.918 525 S CB -0.222 62.974 63.200 -0.007 0.000 0.772 525 S HN 0.316 nan 8.310 nan 0.000 0.531 526 N N 2.714 121.401 118.700 -0.023 0.000 2.405 526 N HA 0.099 4.838 4.740 -0.001 0.000 0.260 526 N C -1.580 173.912 175.510 -0.029 0.000 1.152 526 N CA -1.493 51.545 53.050 -0.019 0.000 0.948 526 N CB 1.027 39.506 38.487 -0.014 0.000 1.111 526 N HN 0.024 nan 8.380 nan 0.000 0.485 527 P HA -0.051 nan 4.420 nan 0.000 0.225 527 P C -0.087 177.198 177.300 -0.025 0.000 1.156 527 P CA 0.901 63.986 63.100 -0.025 0.000 0.787 527 P CB 0.418 32.108 31.700 -0.017 0.000 0.802 528 D N 0.371 120.761 120.400 -0.017 0.000 2.194 528 D HA 0.011 4.650 4.640 -0.001 0.000 0.204 528 D C 1.128 177.417 176.300 -0.019 0.000 0.964 528 D CA 0.522 54.515 54.000 -0.012 0.000 0.846 528 D CB -0.053 40.747 40.800 -0.001 0.000 0.962 528 D HN 0.274 nan 8.370 nan 0.000 0.490 529 I N 3.053 123.607 120.570 -0.027 0.000 2.436 529 I HA -0.037 4.132 4.170 -0.001 0.000 0.289 529 I C 0.575 176.646 176.117 -0.076 0.000 1.083 529 I CA -0.398 60.877 61.300 -0.040 0.000 1.372 529 I CB 0.720 38.696 38.000 -0.041 0.000 1.408 529 I HN -0.220 nan 8.210 nan 0.000 0.516 530 I N 5.747 126.278 120.570 -0.066 0.000 2.692 530 I HA -0.040 4.129 4.170 -0.001 0.000 0.284 530 I C 0.620 176.629 176.117 -0.179 0.000 1.159 530 I CA 0.103 61.354 61.300 -0.082 0.000 1.423 530 I CB 0.057 38.040 38.000 -0.029 0.000 1.380 530 I HN 0.507 nan 8.210 nan 0.000 0.580 531 D N 5.970 126.240 120.400 -0.217 0.000 2.671 531 D HA 0.446 5.085 4.640 -0.001 0.000 0.228 531 D C 0.169 176.344 176.300 -0.209 0.000 1.102 531 D CA 0.328 54.062 54.000 -0.444 0.000 1.044 531 D CB 0.195 40.830 40.800 -0.275 0.000 1.113 531 D HN 0.634 nan 8.370 nan 0.000 0.480 532 A N -0.075 122.678 122.820 -0.111 0.000 2.608 532 A HA 0.571 4.890 4.320 -0.001 0.000 0.292 532 A C -1.264 176.484 177.584 0.273 0.000 1.066 532 A CA -0.657 51.520 52.037 0.233 0.000 0.676 532 A CB 1.407 20.486 19.000 0.132 0.000 1.277 532 A HN 0.035 nan 8.150 nan 0.000 0.413 533 V N 1.343 121.444 119.914 0.312 0.000 2.448 533 V HA 0.495 4.614 4.120 -0.001 0.000 0.295 533 V C -0.573 175.646 176.094 0.208 0.000 1.025 533 V CA -0.511 61.935 62.300 0.243 0.000 0.859 533 V CB 1.399 33.353 31.823 0.218 0.000 0.988 533 V HN 0.848 nan 8.190 nan 0.000 0.431 534 L N 4.594 125.967 121.223 0.250 0.000 2.319 534 L HA 0.528 4.867 4.340 -0.001 0.000 0.280 534 L C -0.030 177.048 176.870 0.346 0.000 1.099 534 L CA 0.625 55.648 54.840 0.306 0.000 0.828 534 L CB 0.867 43.126 42.059 0.334 0.000 1.150 534 L HN 0.831 nan 8.230 nan 0.000 0.442 535 E N 3.014 123.351 120.200 0.229 0.000 2.246 535 E HA 0.663 5.013 4.350 -0.001 0.000 0.266 535 E C -0.916 175.716 176.600 0.053 0.000 0.880 535 E CA -0.721 55.739 56.400 0.100 0.000 0.762 535 E CB 1.445 31.200 29.700 0.091 0.000 1.180 535 E HN 0.802 nan 8.360 nan 0.000 0.416 536 G N 1.821 110.609 108.800 -0.021 0.000 2.420 536 G HA2 0.568 4.527 3.960 -0.001 0.000 0.331 536 G HA3 0.568 4.527 3.960 -0.001 0.000 0.331 536 G C -0.954 173.774 174.900 -0.287 0.000 1.168 536 G CA -0.437 44.536 45.100 -0.211 0.000 0.936 536 G HN 0.394 nan 8.290 nan 0.000 0.479 537 T N 1.854 116.116 114.554 -0.486 0.000 2.949 537 T HA 0.327 4.676 4.350 -0.001 0.000 0.300 537 T C -0.537 174.006 174.700 -0.261 0.000 0.988 537 T CA -0.344 61.592 62.100 -0.273 0.000 0.993 537 T CB 1.360 70.114 68.868 -0.189 0.000 0.984 537 T HN 0.395 nan 8.240 nan 0.000 0.442 538 L N 3.231 124.425 121.223 -0.050 0.000 2.264 538 L HA 0.503 4.842 4.340 -0.001 0.000 0.287 538 L C -0.086 176.769 176.870 -0.025 0.000 1.039 538 L CA -0.591 54.286 54.840 0.061 0.000 0.829 538 L CB 0.138 42.270 42.059 0.122 0.000 1.211 538 L HN 0.774 nan 8.230 nan 0.000 0.427 539 C N 5.984 125.243 119.300 -0.069 0.000 2.435 539 C HA 0.419 4.878 4.460 -0.001 0.000 0.375 539 C C 0.549 175.437 174.990 -0.170 0.000 1.281 539 C CA -0.511 58.456 59.018 -0.085 0.000 1.963 539 C CB -0.298 27.379 27.740 -0.104 0.000 2.490 539 C HN 0.812 nan 8.230 nan 0.000 0.557 540 L N 6.126 127.293 121.223 -0.094 0.000 2.783 540 L HA 0.239 4.578 4.340 -0.001 0.000 0.265 540 L C 0.114 177.174 176.870 0.317 0.000 1.398 540 L CA 0.212 54.888 54.840 -0.273 0.000 0.802 540 L CB 0.486 42.372 42.059 -0.288 0.000 1.126 540 L HN 0.671 nan 8.230 nan 0.000 0.529 541 T N 1.599 116.380 114.554 0.379 0.000 2.743 541 T HA 0.260 4.609 4.350 -0.001 0.000 0.292 541 T C -1.744 173.310 174.700 0.590 0.000 0.972 541 T CA -1.040 61.338 62.100 0.463 0.000 0.967 541 T CB 1.543 70.490 68.868 0.131 0.000 0.926 541 T HN 0.119 nan 8.240 nan 0.000 0.459 542 P HA 0.088 nan 4.420 nan 0.000 0.257 542 P C 0.336 177.760 177.300 0.207 0.000 1.241 542 P CA -0.049 63.170 63.100 0.200 0.000 0.816 542 P CB 0.276 31.932 31.700 -0.074 0.000 1.150 543 S N -0.591 115.339 115.700 0.382 0.000 2.687 543 S HA 0.757 5.226 4.470 -0.001 0.000 0.283 543 S C 0.177 175.038 174.600 0.435 0.000 1.170 543 S CA -0.624 57.779 58.200 0.339 0.000 1.008 543 S CB 1.758 65.142 63.200 0.306 0.000 1.026 543 S HN 0.184 nan 8.310 nan 0.000 0.541 544 A N -0.162 122.790 122.820 0.221 0.000 2.392 544 A HA 0.905 5.225 4.320 -0.001 0.000 0.283 544 A C 1.015 178.603 177.584 0.006 0.000 1.197 544 A CA -0.471 51.697 52.037 0.218 0.000 0.895 544 A CB -0.055 19.032 19.000 0.144 0.000 1.400 544 A HN 2.354 nan 8.150 nan 0.000 0.461 545 G N -2.809 106.025 108.800 0.056 0.000 2.175 545 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.244 545 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.244 545 G C 0.732 175.615 174.900 -0.029 0.000 0.982 545 G CA 0.824 45.906 45.100 -0.031 0.000 0.641 545 G HN 0.749 nan 8.290 nan 0.000 0.527 546 W N 0.462 121.812 121.300 0.082 0.000 2.335 546 W HA 0.147 4.806 4.660 -0.001 0.000 0.311 546 W C 2.475 179.049 176.519 0.091 0.000 1.213 546 W CA 1.787 59.185 57.345 0.089 0.000 1.274 546 W CB -0.195 29.319 29.460 0.091 0.000 1.148 546 W HN 0.435 nan 8.180 nan 0.000 0.498 547 E N 0.023 120.404 120.200 0.302 0.000 2.051 547 E HA -0.170 4.179 4.350 -0.001 0.000 0.189 547 E C 2.396 179.076 176.600 0.132 0.000 0.979 547 E CA 1.597 58.111 56.400 0.190 0.000 0.803 547 E CB -0.251 29.534 29.700 0.143 0.000 0.761 547 E HN 0.191 nan 8.360 nan 0.000 0.451 548 S N -0.264 115.502 115.700 0.110 0.000 2.368 548 S HA -0.095 4.375 4.470 -0.001 0.000 0.225 548 S C 2.044 176.687 174.600 0.071 0.000 1.030 548 S CA 1.163 59.410 58.200 0.078 0.000 0.999 548 S CB -0.423 62.815 63.200 0.064 0.000 0.844 548 S HN 0.263 nan 8.310 nan 0.000 0.459 549 G N 0.361 109.200 108.800 0.064 0.000 2.985 549 G HA2 0.219 4.178 3.960 -0.001 0.000 0.209 549 G HA3 0.219 4.178 3.960 -0.001 0.000 0.209 549 G C 0.037 174.989 174.900 0.086 0.000 1.165 549 G CA -0.090 45.039 45.100 0.049 0.000 0.776 549 G HN 0.619 nan 8.290 nan 0.000 0.541 550 E N -0.655 119.622 120.200 0.128 0.000 2.210 550 E HA -0.170 4.179 4.350 -0.001 0.000 0.201 550 E C 0.764 177.490 176.600 0.210 0.000 1.339 550 E CA -0.137 56.373 56.400 0.185 0.000 0.699 550 E CB -1.290 28.510 29.700 0.168 0.000 1.126 550 E HN 0.428 nan 8.360 nan 0.000 0.355 551 L N -0.226 121.123 121.223 0.210 0.000 2.591 551 L HA 0.154 4.493 4.340 -0.001 0.000 0.228 551 L C 1.469 178.499 176.870 0.267 0.000 1.133 551 L CA 0.447 55.363 54.840 0.126 0.000 0.880 551 L CB -0.401 41.536 42.059 -0.203 0.000 1.033 551 L HN 0.637 nan 8.230 nan 0.000 0.450 552 G N 0.314 109.338 108.800 0.372 0.000 2.553 552 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.242 552 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.242 552 G C 0.730 175.768 174.900 0.230 0.000 1.277 552 G CA -0.240 45.013 45.100 0.255 0.000 0.910 552 G HN 0.621 nan 8.290 nan 0.000 0.576 553 G N -2.323 106.412 108.800 -0.108 0.000 2.189 553 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.267 553 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.267 553 G C 0.648 175.300 174.900 -0.412 0.000 0.975 553 G CA 1.685 46.602 45.100 -0.305 0.000 0.644 553 G HN 2.356 nan 8.290 nan 0.000 0.537 554 Y N 0.115 120.299 120.300 -0.195 0.000 2.397 554 Y HA 0.670 5.219 4.550 -0.002 0.000 0.335 554 Y C 0.513 176.197 175.900 -0.360 0.000 1.213 554 Y CA -0.826 57.129 58.100 -0.242 0.000 1.391 554 Y CB 0.782 39.160 38.460 -0.137 0.000 1.293 554 Y HN 0.283 nan 8.280 nan 0.000 0.557 555 E N 4.255 124.355 120.200 -0.166 0.000 2.167 555 E HA 0.281 4.630 4.350 -0.001 0.000 0.284 555 E C -1.638 174.823 176.600 -0.231 0.000 1.016 555 E CA -0.755 55.470 56.400 -0.292 0.000 0.817 555 E CB 0.793 30.358 29.700 -0.225 0.000 1.080 555 E HN 0.714 nan 8.360 nan 0.000 0.397 556 L N 6.786 127.713 121.223 -0.493 0.000 2.349 556 L HA 0.397 4.737 4.340 -0.001 0.000 0.278 556 L C -1.802 174.806 176.870 -0.437 0.000 0.996 556 L CA -0.631 53.949 54.840 -0.433 0.000 0.825 556 L CB 0.771 42.377 42.059 -0.755 0.000 1.243 556 L HN 0.688 nan 8.230 nan 0.000 0.412 557 Y N 5.839 126.048 120.300 -0.152 0.000 2.335 557 Y HA 0.603 5.152 4.550 -0.001 0.000 0.338 557 Y C 0.528 176.401 175.900 -0.045 0.000 0.977 557 Y CA -0.563 57.486 58.100 -0.086 0.000 1.114 557 Y CB 1.843 40.255 38.460 -0.080 0.000 1.182 557 Y HN 0.585 nan 8.280 nan 0.000 0.463 558 M N 1.975 121.653 119.600 0.129 0.000 2.484 558 M HA 0.638 5.118 4.480 -0.001 0.000 0.289 558 M C -1.583 174.765 176.300 0.080 0.000 1.206 558 M CA -0.966 54.389 55.300 0.091 0.000 0.892 558 M CB 2.444 35.095 32.600 0.085 0.000 1.712 558 M HN 0.446 nan 8.290 nan 0.000 0.462 559 M N 2.276 121.908 119.600 0.054 0.000 2.238 559 M HA 0.184 4.664 4.480 -0.001 0.000 0.347 559 M C -0.115 176.206 176.300 0.034 0.000 1.173 559 M CA 0.062 55.385 55.300 0.039 0.000 1.147 559 M CB 0.420 33.033 32.600 0.023 0.000 1.547 559 M HN 0.711 nan 8.290 nan 0.000 0.455 587 S N 1.111 116.819 115.700 0.013 0.000 2.496 587 S HA 0.098 4.567 4.470 -0.001 0.000 0.224 587 S C 0.763 175.378 174.600 0.024 0.000 0.996 587 S CA 0.029 58.239 58.200 0.018 0.000 0.927 587 S CB 0.023 63.238 63.200 0.024 0.000 0.774 587 S HN 0.272 nan 8.310 nan 0.000 0.524 588 V N 3.152 123.078 119.914 0.020 0.000 2.470 588 V HA 0.190 4.310 4.120 -0.001 0.000 0.276 588 V C 1.196 177.298 176.094 0.013 0.000 1.040 588 V CA -0.034 62.278 62.300 0.021 0.000 1.008 588 V CB 0.641 32.467 31.823 0.004 0.000 0.990 588 V HN 0.451 nan 8.190 nan 0.000 0.477 589 L N 5.335 126.575 121.223 0.029 0.000 2.145 589 L HA 0.317 4.656 4.340 -0.001 0.000 0.201 589 L C 0.430 177.299 176.870 -0.001 0.000 1.075 589 L CA 1.152 55.995 54.840 0.005 0.000 0.773 589 L CB 0.112 42.170 42.059 -0.003 0.000 0.936 589 L HN 0.440 nan 8.230 nan 0.000 0.451 590 I N -0.285 120.308 120.570 0.039 0.000 2.607 590 I HA 0.235 4.405 4.170 -0.001 0.000 0.290 590 I C -1.058 175.067 176.117 0.013 0.000 1.129 590 I CA -0.452 60.866 61.300 0.030 0.000 1.042 590 I CB 2.223 40.260 38.000 0.063 0.000 1.242 590 I HN -0.048 nan 8.210 nan 0.000 0.421 591 N N 4.653 123.332 118.700 -0.035 0.000 2.617 591 N HA 0.302 5.041 4.740 -0.001 0.000 0.263 591 N C -1.781 173.684 175.510 -0.075 0.000 1.074 591 N CA -0.395 52.601 53.050 -0.091 0.000 0.841 591 N CB 1.110 39.496 38.487 -0.168 0.000 1.221 591 N HN 0.407 nan 8.380 nan 0.000 0.529 592 D N 3.317 123.695 120.400 -0.037 0.000 2.453 592 D HA 0.404 5.043 4.640 -0.001 0.000 0.238 592 D C -2.385 173.904 176.300 -0.019 0.000 1.088 592 D CA -1.345 52.637 54.000 -0.031 0.000 0.854 592 D CB 1.905 42.682 40.800 -0.039 0.000 1.076 592 D HN 0.279 nan 8.370 nan 0.000 0.533 593 P HA 0.118 nan 4.420 nan 0.000 0.268 593 P C -2.529 174.673 177.300 -0.163 0.000 1.208 593 P CA -0.977 62.127 63.100 0.007 0.000 0.777 593 P CB 0.006 31.764 31.700 0.096 0.000 0.875 594 P HA 0.180 nan 4.420 nan 0.000 0.265 594 P C -0.752 176.334 177.300 -0.357 0.000 1.193 594 P CA 0.706 63.459 63.100 -0.579 0.000 0.765 594 P CB 0.341 31.289 31.700 -1.253 0.000 0.823 595 A N 3.180 125.918 122.820 -0.137 0.000 2.524 595 A HA 0.613 4.932 4.320 -0.001 0.000 0.289 595 A C -1.786 175.889 177.584 0.151 0.000 1.248 595 A CA -0.694 51.373 52.037 0.049 0.000 0.712 595 A CB 1.142 20.182 19.000 0.067 0.000 1.312 595 A HN 0.610 nan 8.150 nan 0.000 0.441 596 W N 1.840 123.175 121.300 0.059 0.000 2.335 596 W HA 0.385 5.044 4.660 -0.001 0.000 0.307 596 W C 0.263 176.842 176.519 0.100 0.000 1.117 596 W CA 0.264 57.657 57.345 0.080 0.000 1.228 596 W CB 0.782 30.293 29.460 0.084 0.000 1.240 596 W HN 1.005 nan 8.180 nan 0.000 0.468 597 N N 3.831 122.069 118.700 -0.771 0.000 2.780 597 N HA -0.208 4.531 4.740 -0.001 0.000 0.247 597 N C -0.924 174.547 175.510 -0.064 0.000 1.076 597 N CA 0.909 53.655 53.050 -0.507 0.000 0.688 597 N CB -0.790 37.431 38.487 -0.444 0.000 0.957 597 N HN 0.463 nan 8.380 nan 0.000 0.551 598 T N -1.506 113.022 114.554 -0.044 0.000 2.888 598 T HA 0.624 4.973 4.350 -0.001 0.000 0.284 598 T C -0.605 174.128 174.700 0.056 0.000 1.017 598 T CA -0.733 61.392 62.100 0.041 0.000 1.022 598 T CB 1.872 70.742 68.868 0.004 0.000 1.013 598 T HN 0.260 nan 8.240 nan 0.000 0.465 599 F N 2.536 122.391 119.950 -0.159 0.000 2.499 599 F HA 0.535 5.061 4.527 -0.002 0.000 0.333 599 F C -0.955 174.722 175.800 -0.206 0.000 1.138 599 F CA -1.089 56.720 58.000 -0.317 0.000 0.945 599 F CB 1.354 39.850 39.000 -0.840 0.000 1.181 599 F HN 0.527 nan 8.300 nan 0.000 0.435 600 N N 5.570 123.879 118.700 -0.652 0.000 2.430 600 N HA 0.515 5.254 4.740 -0.001 0.000 0.292 600 N C -1.698 173.366 175.510 -0.742 0.000 1.051 600 N CA -0.410 52.335 53.050 -0.508 0.000 0.917 600 N CB 2.133 40.454 38.487 -0.277 0.000 1.164 600 N HN 0.623 nan 8.380 nan 0.000 0.484 601 L N 2.459 123.423 121.223 -0.431 0.000 2.381 601 L HA 0.584 4.923 4.340 -0.001 0.000 0.274 601 L C -1.447 175.346 176.870 -0.127 0.000 0.988 601 L CA -0.648 54.038 54.840 -0.258 0.000 0.824 601 L CB 1.726 43.739 42.059 -0.076 0.000 1.263 601 L HN 0.229 nan 8.230 nan 0.000 0.410 602 V N 5.580 125.410 119.914 -0.139 0.000 2.577 602 V HA 0.395 4.514 4.120 -0.001 0.000 0.303 602 V C -0.620 175.463 176.094 -0.017 0.000 1.042 602 V CA -0.644 61.531 62.300 -0.207 0.000 0.872 602 V CB 1.853 33.254 31.823 -0.703 0.000 0.998 602 V HN 0.622 nan 8.190 nan 0.000 0.423 603 L N 6.561 127.808 121.223 0.040 0.000 2.295 603 L HA 0.454 4.793 4.340 -0.001 0.000 0.288 603 L C 0.445 177.330 176.870 0.026 0.000 1.079 603 L CA 0.360 55.252 54.840 0.088 0.000 0.830 603 L CB 0.143 42.261 42.059 0.098 0.000 1.200 603 L HN 0.555 nan 8.230 nan 0.000 0.438 604 R N 3.419 123.966 120.500 0.078 0.000 2.202 604 R HA 0.291 4.631 4.340 -0.001 0.000 0.334 604 R C -0.361 176.022 176.300 0.138 0.000 1.036 604 R CA -0.697 55.457 56.100 0.090 0.000 0.878 604 R CB 0.524 30.897 30.300 0.122 0.000 1.067 604 R HN 0.687 nan 8.270 nan 0.000 0.457 605 D N 1.370 121.837 120.400 0.111 0.000 2.447 605 D HA -0.026 4.613 4.640 -0.001 0.000 0.265 605 D C 0.673 177.047 176.300 0.124 0.000 1.250 605 D CA -0.482 53.619 54.000 0.169 0.000 1.046 605 D CB 0.600 41.467 40.800 0.112 0.000 1.095 605 D HN 0.454 nan 8.370 nan 0.000 0.555 606 E N -0.500 119.789 120.200 0.148 0.000 2.118 606 E HA -0.222 4.127 4.350 -0.001 0.000 0.195 606 E C 1.790 178.342 176.600 -0.080 0.000 0.992 606 E CA 1.732 58.089 56.400 -0.073 0.000 0.804 606 E CB -0.359 29.357 29.700 0.026 0.000 0.741 606 E HN 0.568 nan 8.360 nan 0.000 0.458 607 S N 0.882 116.577 115.700 -0.008 0.000 2.439 607 S HA 0.016 4.485 4.470 -0.001 0.000 0.224 607 S C 1.184 175.787 174.600 0.006 0.000 1.029 607 S CA -0.236 57.960 58.200 -0.007 0.000 0.946 607 S CB -0.303 62.904 63.200 0.010 0.000 0.797 607 S HN -0.005 nan 8.310 nan 0.000 0.504 608 V N 3.270 123.201 119.914 0.028 0.000 2.584 608 V HA 0.083 4.203 4.120 -0.001 0.000 0.303 608 V C 0.169 176.301 176.094 0.062 0.000 1.035 608 V CA 0.455 62.794 62.300 0.065 0.000 1.172 608 V CB -0.441 31.445 31.823 0.104 0.000 0.896 608 V HN 0.427 nan 8.190 nan 0.000 0.486 609 L N 5.136 126.399 121.223 0.067 0.000 2.343 609 L HA 0.675 5.015 4.340 -0.001 0.000 0.275 609 L C 0.165 177.038 176.870 0.005 0.000 1.056 609 L CA -0.129 54.737 54.840 0.043 0.000 0.804 609 L CB 1.456 43.552 42.059 0.061 0.000 1.203 609 L HN 0.640 nan 8.230 nan 0.000 0.440 610 E N 3.002 123.160 120.200 -0.071 0.000 2.356 610 E HA 0.519 4.869 4.350 -0.001 0.000 0.275 610 E C -1.827 174.730 176.600 -0.072 0.000 0.904 610 E CA -0.479 55.730 56.400 -0.319 0.000 0.757 610 E CB 2.654 31.972 29.700 -0.638 0.000 1.232 610 E HN 0.366 nan 8.360 nan 0.000 0.442 611 F N 0.072 119.844 119.950 -0.297 0.000 2.713 611 F HA 0.631 5.157 4.527 -0.002 0.000 0.311 611 F C -1.871 173.759 175.800 -0.282 0.000 1.141 611 F CA -0.994 56.873 58.000 -0.222 0.000 0.939 611 F CB 0.909 39.840 39.000 -0.115 0.000 1.325 611 F HN 0.030 nan 8.300 nan 0.000 0.453 612 V N 2.593 122.405 119.914 -0.171 0.000 2.384 612 V HA 0.399 4.518 4.120 -0.001 0.000 0.287 612 V C -0.187 175.807 176.094 -0.167 0.000 1.020 612 V CA -0.779 61.258 62.300 -0.439 0.000 0.850 612 V CB 1.251 32.600 31.823 -0.791 0.000 0.987 612 V HN 0.789 nan 8.190 nan 0.000 0.436 613 K N 4.627 124.791 120.400 -0.393 0.000 2.401 613 K HA 0.073 4.392 4.320 -0.001 0.000 0.278 613 K C -0.277 176.283 176.600 -0.066 0.000 1.018 613 K CA -0.092 56.083 56.287 -0.187 0.000 0.981 613 K CB 0.065 32.030 32.500 -0.892 0.000 0.933 613 K HN 0.561 nan 8.250 nan 0.000 0.477 614 Y N 3.548 123.860 120.300 0.021 0.000 3.036 614 Y HA -0.065 4.484 4.550 -0.001 0.000 0.354 614 Y C -0.622 175.260 175.900 -0.029 0.000 1.267 614 Y CA 0.438 58.545 58.100 0.012 0.000 1.606 614 Y CB 0.214 38.551 38.460 -0.205 0.000 1.164 614 Y HN 0.281 nan 8.280 nan 0.000 0.587 615 V N 8.062 127.597 119.914 -0.631 0.000 2.432 615 V HA 0.095 4.215 4.120 -0.001 0.000 0.271 615 V C 0.448 176.029 176.094 -0.855 0.000 1.046 615 V CA -0.294 61.736 62.300 -0.451 0.000 0.945 615 V CB 0.890 32.641 31.823 -0.120 0.000 0.992 615 V HN 0.902 nan 8.190 nan 0.000 0.471 616 S N 3.816 119.263 115.700 -0.421 0.000 2.568 616 S HA 0.013 4.482 4.470 -0.001 0.000 0.282 616 S C 0.832 175.360 174.600 -0.121 0.000 1.338 616 S CA -0.047 58.035 58.200 -0.196 0.000 1.045 616 S CB 0.243 63.466 63.200 0.039 0.000 0.873 616 S HN 0.672 nan 8.310 nan 0.000 0.516 617 W N 2.633 123.947 121.300 0.024 0.000 2.341 617 W HA -0.092 4.568 4.660 -0.001 0.000 0.283 617 W C 2.573 179.100 176.519 0.014 0.000 1.215 617 W CA 0.988 58.370 57.345 0.062 0.000 1.211 617 W CB -0.240 29.291 29.460 0.119 0.000 1.131 617 W HN 0.645 nan 8.180 nan 0.000 0.552 618 S N -0.364 115.456 115.700 0.201 0.000 2.522 618 S HA 0.161 4.630 4.470 -0.001 0.000 0.227 618 S C 1.091 175.650 174.600 -0.068 0.000 0.986 618 S CA 0.244 58.490 58.200 0.077 0.000 0.929 618 S CB -0.557 62.678 63.200 0.058 0.000 0.769 618 S HN 0.149 nan 8.310 nan 0.000 0.529 619 A N 1.699 124.419 122.820 -0.167 0.000 2.498 619 A HA 0.188 4.507 4.320 -0.001 0.000 0.239 619 A C 0.919 178.399 177.584 -0.174 0.000 1.068 619 A CA 0.047 51.845 52.037 -0.397 0.000 0.766 619 A CB 0.236 18.920 19.000 -0.528 0.000 1.003 619 A HN 0.372 nan 8.150 nan 0.000 0.497 620 K N 0.558 120.843 120.400 -0.192 0.000 2.404 620 K HA 0.098 4.417 4.320 -0.001 0.000 0.194 620 K C 0.336 176.990 176.600 0.090 0.000 1.023 620 K CA 0.858 57.129 56.287 -0.026 0.000 1.094 620 K CB 0.064 32.542 32.500 -0.036 0.000 0.841 620 K HN 0.819 nan 8.250 nan 0.000 0.523 621 S N -1.236 114.563 115.700 0.166 0.000 2.625 621 S HA 0.368 4.837 4.470 -0.001 0.000 0.271 621 S C -0.450 174.386 174.600 0.393 0.000 1.161 621 S CA -1.000 57.392 58.200 0.321 0.000 0.820 621 S CB 1.647 65.101 63.200 0.423 0.000 1.137 621 S HN -0.065 nan 8.310 nan 0.000 0.470 622 S N 0.897 116.816 115.700 0.364 0.000 2.584 622 S HA 0.302 4.772 4.470 -0.001 0.000 0.270 622 S C 0.326 175.137 174.600 0.353 0.000 1.346 622 S CA -0.538 57.784 58.200 0.204 0.000 1.018 622 S CB 0.059 63.122 63.200 -0.228 0.000 0.899 622 S HN 0.693 nan 8.310 nan 0.000 0.542 623 R N 0.975 121.597 120.500 0.203 0.000 2.316 623 R HA 0.131 4.470 4.340 -0.001 0.000 0.314 623 R C -1.677 174.706 176.300 0.138 0.000 1.069 623 R CA -0.116 56.034 56.100 0.083 0.000 0.959 623 R CB 0.266 30.455 30.300 -0.186 0.000 0.987 623 R HN 0.547 nan 8.270 nan 0.000 0.446 624 W N 4.613 126.006 121.300 0.155 0.000 2.529 624 W HA 0.265 4.924 4.660 -0.001 0.000 0.321 624 W C -0.473 176.116 176.519 0.115 0.000 1.047 624 W CA -0.153 57.305 57.345 0.188 0.000 1.216 624 W CB 1.540 31.132 29.460 0.220 0.000 1.357 624 W HN 0.680 nan 8.180 nan 0.000 0.489 625 D N -0.324 120.277 120.400 0.335 0.000 2.643 625 D HA 0.599 5.238 4.640 -0.001 0.000 0.283 625 D C -1.896 174.500 176.300 0.160 0.000 1.242 625 D CA -0.817 53.291 54.000 0.180 0.000 0.863 625 D CB 1.297 42.138 40.800 0.067 0.000 1.382 625 D HN 0.040 nan 8.370 nan 0.000 0.444 626 V N 0.144 120.097 119.914 0.066 0.000 2.409 626 V HA 0.559 4.678 4.120 -0.001 0.000 0.291 626 V C -0.437 175.632 176.094 -0.042 0.000 1.020 626 V CA -0.789 61.523 62.300 0.020 0.000 0.848 626 V CB 1.131 32.933 31.823 -0.036 0.000 0.990 626 V HN 0.667 nan 8.190 nan 0.000 0.430 627 K N 5.883 126.255 120.400 -0.048 0.000 2.206 627 K HA 0.792 5.112 4.320 -0.001 0.000 0.264 627 K C -0.915 175.581 176.600 -0.175 0.000 0.967 627 K CA -0.212 56.013 56.287 -0.103 0.000 0.844 627 K CB 1.226 33.675 32.500 -0.084 0.000 1.099 627 K HN 0.676 nan 8.250 nan 0.000 0.441 628 M N 3.624 123.053 119.600 -0.286 0.000 2.393 628 M HA 0.468 4.947 4.480 -0.001 0.000 0.299 628 M C -1.022 174.803 176.300 -0.792 0.000 1.103 628 M CA -0.698 54.252 55.300 -0.584 0.000 0.910 628 M CB 2.577 34.773 32.600 -0.674 0.000 1.659 628 M HN 0.336 nan 8.290 nan 0.000 0.445 629 K N 2.320 122.190 120.400 -0.883 0.000 2.468 629 K HA 0.634 4.953 4.320 -0.001 0.000 0.252 629 K C -1.918 174.324 176.600 -0.596 0.000 0.932 629 K CA -0.737 55.208 56.287 -0.571 0.000 0.794 629 K CB 2.620 34.979 32.500 -0.234 0.000 1.241 629 K HN 0.601 nan 8.250 nan 0.000 0.428 630 W N 1.997 123.329 121.300 0.054 0.000 2.998 630 W HA 0.265 4.924 4.660 -0.002 0.000 0.335 630 W C -0.581 175.965 176.519 0.044 0.000 1.110 630 W CA -0.723 56.648 57.345 0.044 0.000 1.230 630 W CB 1.602 31.073 29.460 0.019 0.000 1.405 630 W HN 0.449 nan 8.180 nan 0.000 0.493 631 D N 2.004 122.553 120.400 0.249 0.000 2.341 631 D HA 0.317 4.956 4.640 -0.001 0.000 0.245 631 D C 0.019 176.407 176.300 0.145 0.000 1.106 631 D CA 0.334 54.433 54.000 0.165 0.000 0.905 631 D CB 2.349 43.215 40.800 0.109 0.000 1.202 631 D HN 0.152 nan 8.370 nan 0.000 0.426 632 V N -1.450 118.514 119.914 0.084 0.000 2.925 632 V HA 0.636 4.756 4.120 -0.001 0.000 0.311 632 V C -0.645 175.458 176.094 0.014 0.000 1.104 632 V CA -1.101 61.221 62.300 0.037 0.000 0.954 632 V CB 2.183 34.017 31.823 0.019 0.000 1.022 632 V HN 0.571 nan 8.190 nan 0.000 0.427 633 K N 1.112 121.516 120.400 0.006 0.000 2.267 633 K HA 0.760 5.079 4.320 -0.001 0.000 0.246 633 K C -0.171 176.427 176.600 -0.004 0.000 0.954 633 K CA -0.280 56.008 56.287 0.002 0.000 0.824 633 K CB 2.024 34.532 32.500 0.013 0.000 1.167 633 K HN 0.904 nan 8.250 nan 0.000 0.431 634 S N 0.644 116.341 115.700 -0.004 0.000 2.531 634 S HA 0.211 4.681 4.470 -0.001 0.000 0.279 634 S C -0.017 174.582 174.600 -0.001 0.000 1.305 634 S CA -0.844 57.354 58.200 -0.004 0.000 1.058 634 S CB 0.385 63.582 63.200 -0.004 0.000 0.899 634 S HN 0.655 nan 8.310 nan 0.000 0.493 635 c N 0.000 118.598 118.600 -0.004 0.000 2.653 635 c HA 0.000 4.569 4.570 -0.001 0.000 0.325 635 c CA 0.000 56.331 56.329 0.003 0.000 1.963 635 c CB 0.000 42.513 42.510 0.005 0.000 2.134 635 c HN 0.000 nan 8.230 nan 0.000 0.568