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 3e7j_1_B DATA FIRST_RESID 30 DATA SEQUENCE DVVWKDVDGV SMPIPPKTHP RLYLREQQVP DLKNRMNDPK LKKVWADMIK DATA SEQUENCE MQEDWKPADI PEVKDFRFYF NQKGLTVRVE LMALNYLMTK DPKVGREAIT DATA SEQUENCE SIIDTLETAT FKPAGDISRG IGLFMVTGAI VYDWCYDQLK PEEKTRFVKA DATA SEQUENCE FVRLAKMLEC GYPPVKDKSI VGAASEWMIM RDLLSVGIAI YDEFPEMYNL DATA SEQUENCE AAGRFFKEHL VARNWFYPSH NYHQGMSALN VRFTNDLFAL WILDRMGAGN DATA SEQUENCE VFNPGQQFIL YDAIYKRRPD GQILAGGDVD YSRKKPKYYT MPALLAGSYY DATA SEQUENCE KDEYLNYEFL KDPNVEPHCK LFEFLWRDTQ LGSRKPDDLP LSRYSGSPFG DATA SEQUENCE WMIARTGWGP ESVIAEMKVN EYSFLNHQHQ DAGAFQIYYK GPLAIDAGSY DATA SEQUENCE TGSSGGYNSP HNKNFFKRTI AHNSLLIYDP KETFSSSGYG GSDHTDFAAN DATA SEQUENCE DGGQRLPGKG WIAPRDLKEM LAGDFRTGKI LAQGFGPDNQ TPDYTYLKGD DATA SEQUENCE ITAAYSAKVK EVKRSFLFLN LKDAKVPAAM IVFDKVVASN PDFKKFWLLH DATA SEQUENCE SIEQPEIKGN QITIKRTKNG DSGMLVNTAL LPDAANSNIT SIGGKGKDFW DATA SEQUENCE VFGTNYTNDP KPGTDEALER GEWRVEITPK KAAAEDYYLN VIQIADNTQQ DATA SEQUENCE KLHEVKRIDG DKVVGVQLAD RIVTFSKTSE TVDRPFGFSV VGKGTFKFVM DATA SEQUENCE TDLLPGTWQV LKDGKILYPA LSAKGDDGAL YFEGTEGTYR FLR 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 30 D HA 0.000 nan 4.640 nan 0.000 0.175 30 D C 0.000 176.331 176.300 0.051 0.000 2.045 30 D CA 0.000 54.032 54.000 0.054 0.000 0.868 30 D CB 0.000 40.862 40.800 0.103 0.000 0.688 31 V N -1.482 118.470 119.914 0.063 0.000 3.170 31 V HA 0.704 4.822 4.120 -0.003 0.000 0.309 31 V C 0.182 176.320 176.094 0.074 0.000 1.071 31 V CA -0.539 61.758 62.300 -0.005 0.000 1.063 31 V CB 1.108 32.851 31.823 -0.133 0.000 1.123 31 V HN 0.306 nan 8.190 nan 0.000 0.464 32 V N 1.605 121.516 119.914 -0.005 0.000 2.546 32 V HA 0.279 4.398 4.120 -0.003 0.000 0.284 32 V C -0.512 175.592 176.094 0.017 0.000 1.050 32 V CA -0.100 62.237 62.300 0.062 0.000 0.981 32 V CB 1.045 32.875 31.823 0.012 0.000 0.990 32 V HN 0.916 nan 8.190 nan 0.000 0.474 33 W N 4.492 125.754 121.300 -0.064 0.000 2.391 33 W HA 0.657 5.315 4.660 -0.003 0.000 0.311 33 W C 0.190 176.667 176.519 -0.071 0.000 1.087 33 W CA -0.450 56.845 57.345 -0.082 0.000 1.209 33 W CB 0.991 30.404 29.460 -0.079 0.000 1.273 33 W HN 0.344 nan 8.180 nan 0.000 0.482 34 K N 1.697 122.138 120.400 0.068 0.000 2.469 34 K HA 0.195 4.513 4.320 -0.003 0.000 0.254 34 K C -1.456 175.150 176.600 0.011 0.000 0.939 34 K CA -0.930 55.379 56.287 0.035 0.000 0.812 34 K CB 1.866 34.367 32.500 0.002 0.000 1.301 34 K HN 0.330 nan 8.250 nan 0.000 0.433 35 D N 1.866 122.277 120.400 0.018 0.000 2.344 35 D HA 0.163 4.802 4.640 -0.003 0.000 0.253 35 D C -1.171 175.126 176.300 -0.005 0.000 1.255 35 D CA 0.018 54.021 54.000 0.006 0.000 0.894 35 D CB 0.630 41.437 40.800 0.010 0.000 1.067 35 D HN 0.012 nan 8.370 nan 0.000 0.492 36 V N 4.199 124.101 119.914 -0.019 0.000 2.326 36 V HA 0.192 4.310 4.120 -0.003 0.000 0.281 36 V C 0.078 176.163 176.094 -0.014 0.000 1.015 36 V CA -0.629 61.663 62.300 -0.013 0.000 0.823 36 V CB 1.331 33.149 31.823 -0.008 0.000 1.009 36 V HN 0.753 nan 8.190 nan 0.000 0.436 37 D N 4.138 124.532 120.400 -0.010 0.000 2.947 37 D HA -0.128 4.510 4.640 -0.003 0.000 0.224 37 D C 1.084 177.379 176.300 -0.009 0.000 1.132 37 D CA 1.649 55.642 54.000 -0.011 0.000 0.801 37 D CB -1.011 39.781 40.800 -0.013 0.000 1.097 37 D HN 1.340 nan 8.370 nan 0.000 0.431 38 G N -1.913 106.883 108.800 -0.007 0.000 2.131 38 G HA2 -0.065 3.893 3.960 -0.003 0.000 0.223 38 G HA3 -0.065 3.893 3.960 -0.003 0.000 0.223 38 G C 0.039 174.937 174.900 -0.003 0.000 0.990 38 G CA -0.029 45.068 45.100 -0.006 0.000 0.671 38 G HN 0.920 nan 8.290 nan 0.000 0.521 39 V N -0.204 119.708 119.914 -0.003 0.000 2.971 39 V HA 0.799 4.917 4.120 -0.003 0.000 0.309 39 V C 0.209 176.302 176.094 -0.003 0.000 1.130 39 V CA 0.068 62.371 62.300 0.005 0.000 0.964 39 V CB 2.085 33.918 31.823 0.016 0.000 1.029 39 V HN 0.894 nan 8.190 nan 0.000 0.427 40 S N 6.746 122.465 115.700 0.031 0.000 2.499 40 S HA 0.717 5.186 4.470 -0.003 0.000 0.275 40 S C -0.553 174.065 174.600 0.029 0.000 1.257 40 S CA -0.310 57.941 58.200 0.085 0.000 1.050 40 S CB -0.142 63.141 63.200 0.139 0.000 0.937 40 S HN 0.576 nan 8.310 nan 0.000 0.490 41 M N 6.088 125.611 119.600 -0.129 0.000 2.484 41 M HA 0.447 4.925 4.480 -0.003 0.000 0.289 41 M C -2.775 172.966 176.300 -0.931 0.000 1.206 41 M CA -2.097 52.747 55.300 -0.759 0.000 0.892 41 M CB 2.623 34.830 32.600 -0.655 0.000 1.712 41 M HN 0.384 nan 8.290 nan 0.000 0.462 42 P HA 0.318 nan 4.420 nan 0.000 0.279 42 P C -1.144 175.755 177.300 -0.668 0.000 1.239 42 P CA -0.237 61.969 63.100 -1.491 0.000 0.789 42 P CB 0.776 31.549 31.700 -1.546 0.000 0.933 43 I N 4.022 124.268 120.570 -0.541 0.000 2.353 43 I HA 0.270 4.439 4.170 -0.003 0.000 0.293 43 I C -2.186 173.553 176.117 -0.630 0.000 0.992 43 I CA -3.011 57.975 61.300 -0.523 0.000 1.268 43 I CB 0.790 38.600 38.000 -0.316 0.000 1.387 43 I HN 0.088 nan 8.210 nan 0.000 0.478 44 P HA 0.096 nan 4.420 nan 0.000 0.264 44 P C -2.336 174.664 177.300 -0.500 0.000 1.193 44 P CA -0.642 61.987 63.100 -0.784 0.000 0.763 44 P CB -0.244 30.809 31.700 -1.078 0.000 0.810 45 P HA 0.080 nan 4.420 nan 0.000 0.271 45 P C -0.375 176.794 177.300 -0.219 0.000 1.218 45 P CA -0.086 62.881 63.100 -0.223 0.000 0.780 45 P CB 0.697 32.294 31.700 -0.171 0.000 0.901 46 K N 1.198 121.515 120.400 -0.140 0.000 2.408 46 K HA 0.220 4.538 4.320 -0.003 0.000 0.231 46 K C 0.230 176.754 176.600 -0.127 0.000 1.261 46 K CA 0.380 56.601 56.287 -0.111 0.000 1.193 46 K CB -0.545 31.933 32.500 -0.036 0.000 1.431 46 K HN 0.432 nan 8.250 nan 0.000 0.243 47 T N 0.282 114.688 114.554 -0.246 0.000 2.957 47 T HA 0.221 4.570 4.350 -0.003 0.000 0.336 47 T C -1.870 172.602 174.700 -0.381 0.000 1.462 47 T CA -0.774 61.212 62.100 -0.190 0.000 1.073 47 T CB 0.922 69.724 68.868 -0.110 0.000 1.319 47 T HN 0.370 nan 8.240 nan 0.000 0.485 48 H N 2.597 121.621 119.070 -0.077 0.000 2.717 48 H HA 0.484 5.039 4.556 -0.002 0.000 0.366 48 H C -2.365 172.970 175.328 0.011 0.000 1.132 48 H CA -1.366 54.659 56.048 -0.039 0.000 1.180 48 H CB 2.356 32.079 29.762 -0.064 0.000 1.678 48 H HN 0.458 nan 8.280 nan 0.000 0.537 49 P HA 0.214 nan 4.420 nan 0.000 0.276 49 P C 0.075 177.407 177.300 0.052 0.000 1.244 49 P CA -0.523 62.678 63.100 0.169 0.000 0.801 49 P CB 1.653 33.391 31.700 0.063 0.000 1.006 50 R N 0.043 120.579 120.500 0.059 0.000 2.526 50 R HA 0.358 4.697 4.340 -0.003 0.000 0.346 50 R C -0.011 176.324 176.300 0.058 0.000 0.926 50 R CA -0.387 55.708 56.100 -0.007 0.000 1.147 50 R CB 0.210 30.413 30.300 -0.163 0.000 1.629 50 R HN 0.236 nan 8.270 nan 0.000 0.516 51 L N 2.840 124.148 121.223 0.142 0.000 2.255 51 L HA 0.312 4.651 4.340 -0.003 0.000 0.289 51 L C -0.337 176.669 176.870 0.226 0.000 1.046 51 L CA -0.060 54.770 54.840 -0.015 0.000 0.816 51 L CB 0.199 42.144 42.059 -0.190 0.000 1.197 51 L HN 0.468 nan 8.230 nan 0.000 0.427 52 Y N 2.628 123.280 120.300 0.587 0.000 4.779 52 Y HA -0.361 4.188 4.550 -0.003 0.000 0.284 52 Y C -0.200 176.093 175.900 0.655 0.000 0.973 52 Y CA 0.382 58.967 58.100 0.808 0.000 1.792 52 Y CB -1.133 37.817 38.460 0.817 0.000 1.120 52 Y HN 0.534 nan 8.280 nan 0.000 0.450 53 L N -3.321 118.201 121.223 0.498 0.000 2.947 53 L HA 0.767 5.105 4.340 -0.003 0.000 0.267 53 L C -0.811 176.141 176.870 0.137 0.000 1.004 53 L CA -1.992 53.022 54.840 0.290 0.000 0.937 53 L CB 0.840 43.025 42.059 0.209 0.000 1.496 53 L HN -0.077 nan 8.230 nan 0.000 0.409 54 R N -0.140 120.405 120.500 0.075 0.000 2.923 54 R HA 0.507 4.846 4.340 -0.003 0.000 0.252 54 R C 0.621 176.914 176.300 -0.012 0.000 1.130 54 R CA -0.710 55.403 56.100 0.021 0.000 1.043 54 R CB 1.210 31.518 30.300 0.014 0.000 1.205 54 R HN 0.904 nan 8.270 nan 0.000 0.495 55 E N 1.255 121.441 120.200 -0.023 0.000 2.136 55 E HA -0.303 4.045 4.350 -0.003 0.000 0.208 55 E C 1.755 178.334 176.600 -0.035 0.000 1.035 55 E CA 2.093 58.472 56.400 -0.035 0.000 0.838 55 E CB 0.138 29.823 29.700 -0.026 0.000 0.748 55 E HN 0.463 nan 8.360 nan 0.000 0.459 56 Q N 0.438 120.225 119.800 -0.021 0.000 2.226 56 Q HA -0.210 4.128 4.340 -0.003 0.000 0.204 56 Q C 1.686 177.674 176.000 -0.020 0.000 0.975 56 Q CA 1.222 57.013 55.803 -0.020 0.000 0.866 56 Q CB -0.302 28.427 28.738 -0.014 0.000 0.915 56 Q HN 0.483 nan 8.270 nan 0.000 0.440 57 Q N 0.504 120.297 119.800 -0.011 0.000 2.424 57 Q HA 0.082 4.420 4.340 -0.003 0.000 0.204 57 Q C 2.087 178.063 176.000 -0.040 0.000 0.933 57 Q CA 0.615 56.414 55.803 -0.007 0.000 0.929 57 Q CB -0.249 28.513 28.738 0.041 0.000 1.037 57 Q HN 0.196 nan 8.270 nan 0.000 0.511 58 V N 2.344 122.220 119.914 -0.064 0.000 2.332 58 V HA -0.175 3.944 4.120 -0.003 0.000 0.248 58 V C -0.526 175.519 176.094 -0.082 0.000 1.055 58 V CA 1.904 64.145 62.300 -0.098 0.000 1.038 58 V CB -1.585 30.166 31.823 -0.120 0.000 0.651 58 V HN 0.262 nan 8.190 nan 0.000 0.450 59 P HA -0.090 nan 4.420 nan 0.000 0.226 59 P C 1.087 178.352 177.300 -0.059 0.000 1.153 59 P CA 1.196 64.260 63.100 -0.060 0.000 0.777 59 P CB 0.004 31.674 31.700 -0.050 0.000 0.794 60 D N -1.070 119.295 120.400 -0.059 0.000 2.317 60 D HA -0.036 4.602 4.640 -0.003 0.000 0.211 60 D C 1.750 177.998 176.300 -0.086 0.000 0.966 60 D CA 0.474 54.435 54.000 -0.066 0.000 0.876 60 D CB -0.541 40.225 40.800 -0.057 0.000 0.927 60 D HN 0.038 nan 8.370 nan 0.000 0.519 61 L N 0.112 121.288 121.223 -0.077 0.000 2.127 61 L HA -0.167 4.171 4.340 -0.003 0.000 0.211 61 L C 2.393 179.237 176.870 -0.044 0.000 1.089 61 L CA 1.048 55.853 54.840 -0.059 0.000 0.757 61 L CB -0.334 41.720 42.059 -0.009 0.000 0.899 61 L HN 0.019 nan 8.230 nan 0.000 0.434 62 K N 0.011 120.376 120.400 -0.059 0.000 2.057 62 K HA -0.147 4.172 4.320 -0.003 0.000 0.207 62 K C 1.867 178.418 176.600 -0.080 0.000 1.049 62 K CA 1.447 57.692 56.287 -0.071 0.000 0.931 62 K CB -0.215 32.245 32.500 -0.067 0.000 0.714 62 K HN 0.470 nan 8.250 nan 0.000 0.440 63 N N 0.710 119.361 118.700 -0.081 0.000 2.142 63 N HA -0.114 4.624 4.740 -0.003 0.000 0.186 63 N C 1.813 177.261 175.510 -0.104 0.000 1.023 63 N CA 0.862 53.863 53.050 -0.082 0.000 0.852 63 N CB -0.084 38.358 38.487 -0.074 0.000 0.998 63 N HN 0.204 nan 8.380 nan 0.000 0.424 64 R N 0.554 120.961 120.500 -0.155 0.000 2.120 64 R HA -0.040 4.298 4.340 -0.003 0.000 0.234 64 R C 2.147 178.357 176.300 -0.152 0.000 1.123 64 R CA 0.993 56.939 56.100 -0.257 0.000 0.975 64 R CB -0.254 29.728 30.300 -0.530 0.000 0.866 64 R HN 0.153 nan 8.270 nan 0.000 0.446 65 M N 1.120 120.693 119.600 -0.045 0.000 2.159 65 M HA -0.124 4.355 4.480 -0.003 0.000 0.263 65 M C 1.204 177.447 176.300 -0.095 0.000 1.063 65 M CA 1.735 57.015 55.300 -0.034 0.000 1.110 65 M CB -0.073 32.414 32.600 -0.187 0.000 1.374 65 M HN 0.069 nan 8.290 nan 0.000 0.411 66 N N -0.083 118.565 118.700 -0.087 0.000 2.398 66 N HA -0.059 4.679 4.740 -0.003 0.000 0.188 66 N C -0.273 175.211 175.510 -0.042 0.000 1.122 66 N CA 0.023 53.031 53.050 -0.070 0.000 0.866 66 N CB -0.025 38.422 38.487 -0.068 0.000 0.970 66 N HN 0.359 nan 8.380 nan 0.000 0.462 67 D N 1.739 122.116 120.400 -0.039 0.000 2.358 67 D HA 0.067 4.705 4.640 -0.003 0.000 0.258 67 D C -1.560 174.743 176.300 0.004 0.000 1.223 67 D CA -1.977 52.007 54.000 -0.027 0.000 0.886 67 D CB 1.608 42.379 40.800 -0.049 0.000 1.120 67 D HN 0.005 nan 8.370 nan 0.000 0.482 68 P HA -0.205 nan 4.420 nan 0.000 0.216 68 P C 0.994 178.314 177.300 0.034 0.000 1.167 68 P CA 1.790 64.900 63.100 0.017 0.000 0.914 68 P CB 0.255 31.960 31.700 0.008 0.000 0.793 69 K N -0.954 119.462 120.400 0.028 0.000 2.218 69 K HA -0.101 4.217 4.320 -0.003 0.000 0.205 69 K C 1.586 178.228 176.600 0.070 0.000 1.046 69 K CA 1.049 57.361 56.287 0.042 0.000 0.933 69 K CB -0.638 31.884 32.500 0.037 0.000 0.728 69 K HN 0.184 nan 8.250 nan 0.000 0.454 70 L N 0.489 121.757 121.223 0.076 0.000 2.818 70 L HA 0.137 4.475 4.340 -0.003 0.000 0.243 70 L C 1.420 178.435 176.870 0.243 0.000 1.185 70 L CA -0.083 54.843 54.840 0.144 0.000 0.988 70 L CB 0.169 42.261 42.059 0.056 0.000 1.292 70 L HN 0.194 nan 8.230 nan 0.000 0.519 71 K N -1.182 119.320 120.400 0.171 0.000 2.365 71 K HA 0.059 4.378 4.320 -0.003 0.000 0.195 71 K C 1.949 178.664 176.600 0.191 0.000 1.079 71 K CA -0.241 56.167 56.287 0.201 0.000 0.979 71 K CB 0.160 32.731 32.500 0.118 0.000 0.929 71 K HN -0.130 nan 8.250 nan 0.000 0.523 72 K N 1.668 122.143 120.400 0.126 0.000 2.032 72 K HA -0.112 4.206 4.320 -0.003 0.000 0.209 72 K C 1.958 178.615 176.600 0.094 0.000 1.048 72 K CA 1.500 57.840 56.287 0.087 0.000 0.927 72 K CB -0.340 32.191 32.500 0.051 0.000 0.712 72 K HN 0.136 nan 8.250 nan 0.000 0.441 73 V N 0.060 120.053 119.914 0.132 0.000 2.490 73 V HA -0.213 3.906 4.120 -0.003 0.000 0.250 73 V C 1.855 178.013 176.094 0.106 0.000 1.061 73 V CA 1.786 64.159 62.300 0.121 0.000 1.064 73 V CB -0.362 31.566 31.823 0.176 0.000 0.670 73 V HN 0.504 nan 8.190 nan 0.000 0.461 74 W N 0.309 121.599 121.300 -0.017 0.000 2.453 74 W HA 0.040 4.698 4.660 -0.003 0.000 0.289 74 W C 2.352 178.804 176.519 -0.113 0.000 1.215 74 W CA 1.640 58.898 57.345 -0.145 0.000 1.297 74 W CB -0.333 29.041 29.460 -0.143 0.000 1.113 74 W HN 0.250 nan 8.180 nan 0.000 0.551 75 A N 0.155 123.024 122.820 0.082 0.000 1.902 75 A HA -0.227 4.092 4.320 -0.003 0.000 0.217 75 A C 1.742 179.230 177.584 -0.159 0.000 1.181 75 A CA 2.138 54.147 52.037 -0.045 0.000 0.623 75 A CB -1.006 18.019 19.000 0.042 0.000 0.818 75 A HN 0.250 nan 8.150 nan 0.000 0.443 76 D N -0.034 120.296 120.400 -0.115 0.000 2.116 76 D HA -0.194 4.444 4.640 -0.003 0.000 0.193 76 D C 2.021 178.189 176.300 -0.219 0.000 0.998 76 D CA 1.698 55.616 54.000 -0.137 0.000 0.836 76 D CB -0.417 40.330 40.800 -0.088 0.000 0.951 76 D HN 0.510 nan 8.370 nan 0.000 0.449 77 M N -0.124 119.295 119.600 -0.302 0.000 2.213 77 M HA -0.121 4.358 4.480 -0.003 0.000 0.263 77 M C 1.834 177.868 176.300 -0.444 0.000 1.062 77 M CA 0.687 55.759 55.300 -0.380 0.000 1.105 77 M CB -0.058 32.250 32.600 -0.486 0.000 1.385 77 M HN 0.013 nan 8.290 nan 0.000 0.417 78 I N 0.840 121.080 120.570 -0.550 0.000 2.315 78 I HA -0.210 3.958 4.170 -0.003 0.000 0.248 78 I C 2.121 178.064 176.117 -0.290 0.000 1.117 78 I CA 1.614 62.625 61.300 -0.482 0.000 1.404 78 I CB -1.090 36.616 38.000 -0.491 0.000 1.071 78 I HN 0.278 nan 8.210 nan 0.000 0.419 79 K N -0.059 120.194 120.400 -0.245 0.000 2.155 79 K HA -0.007 4.312 4.320 -0.003 0.000 0.203 79 K C 2.068 178.548 176.600 -0.200 0.000 1.052 79 K CA 0.936 57.109 56.287 -0.190 0.000 0.948 79 K CB -0.127 32.277 32.500 -0.160 0.000 0.728 79 K HN 0.209 nan 8.250 nan 0.000 0.448 80 M N 0.859 120.329 119.600 -0.217 0.000 2.446 80 M HA -0.178 4.301 4.480 -0.003 0.000 0.263 80 M C 1.773 177.955 176.300 -0.196 0.000 1.066 80 M CA 1.403 56.573 55.300 -0.217 0.000 1.087 80 M CB -0.099 32.383 32.600 -0.197 0.000 1.406 80 M HN 0.138 nan 8.290 nan 0.000 0.459 81 Q N 0.416 120.105 119.800 -0.185 0.000 2.291 81 Q HA -0.087 4.251 4.340 -0.003 0.000 0.206 81 Q C 0.031 175.959 176.000 -0.121 0.000 0.976 81 Q CA 0.570 56.286 55.803 -0.145 0.000 0.875 81 Q CB 0.008 28.655 28.738 -0.150 0.000 0.927 81 Q HN 0.426 nan 8.270 nan 0.000 0.450 82 E N 2.059 122.174 120.200 -0.142 0.000 2.384 82 E HA 0.015 4.364 4.350 -0.003 0.000 0.266 82 E C -0.509 176.007 176.600 -0.139 0.000 1.012 82 E CA 0.122 56.447 56.400 -0.125 0.000 0.901 82 E CB 0.383 30.002 29.700 -0.135 0.000 0.967 82 E HN 0.115 nan 8.360 nan 0.000 0.435 83 D N 1.511 121.867 120.400 -0.073 0.000 2.368 83 D HA 0.008 4.647 4.640 -0.003 0.000 0.240 83 D C 0.263 176.548 176.300 -0.025 0.000 1.169 83 D CA -0.035 53.954 54.000 -0.017 0.000 0.906 83 D CB 0.398 41.227 40.800 0.048 0.000 1.187 83 D HN 0.277 nan 8.370 nan 0.000 0.435 84 W N 0.833 122.105 121.300 -0.047 0.000 2.253 84 W HA -0.011 4.647 4.660 -0.003 0.000 0.348 84 W C 1.046 177.558 176.519 -0.012 0.000 1.267 84 W CA 0.142 57.470 57.345 -0.028 0.000 1.298 84 W CB 0.340 29.815 29.460 0.025 0.000 1.181 84 W HN -0.078 nan 8.180 nan 0.000 0.585 85 K N 4.089 124.643 120.400 0.257 0.000 2.234 85 K HA 0.141 4.459 4.320 -0.003 0.000 0.277 85 K C -1.797 174.902 176.600 0.166 0.000 1.038 85 K CA -1.515 54.863 56.287 0.152 0.000 0.888 85 K CB 1.197 33.748 32.500 0.084 0.000 1.091 85 K HN 0.052 nan 8.250 nan 0.000 0.467 86 P HA -0.271 nan 4.420 nan 0.000 0.218 86 P C 0.784 178.109 177.300 0.041 0.000 1.150 86 P CA 1.350 64.483 63.100 0.055 0.000 0.841 86 P CB 0.156 31.871 31.700 0.024 0.000 0.784 87 A N -1.473 121.378 122.820 0.053 0.000 2.235 87 A HA -0.072 4.246 4.320 -0.003 0.000 0.208 87 A C 1.030 178.650 177.584 0.061 0.000 1.172 87 A CA 1.366 53.426 52.037 0.038 0.000 0.786 87 A CB -0.856 18.162 19.000 0.031 0.000 0.804 87 A HN 0.166 nan 8.150 nan 0.000 0.479 88 D N -1.406 119.065 120.400 0.118 0.000 2.514 88 D HA 0.218 4.856 4.640 -0.003 0.000 0.225 88 D C -0.091 176.298 176.300 0.148 0.000 1.159 88 D CA -0.205 53.908 54.000 0.188 0.000 0.823 88 D CB 0.392 41.379 40.800 0.311 0.000 1.097 88 D HN 0.375 nan 8.370 nan 0.000 0.519 89 I N 4.055 124.645 120.570 0.034 0.000 2.406 89 I HA 0.150 4.318 4.170 -0.003 0.000 0.293 89 I C -1.700 174.244 176.117 -0.288 0.000 1.101 89 I CA -1.579 59.586 61.300 -0.226 0.000 1.334 89 I CB 0.141 38.012 38.000 -0.214 0.000 1.421 89 I HN -0.119 nan 8.210 nan 0.000 0.513 90 P HA 0.012 nan 4.420 nan 0.000 0.271 90 P C 0.133 177.223 177.300 -0.349 0.000 1.238 90 P CA -0.061 62.861 63.100 -0.297 0.000 0.794 90 P CB 0.738 32.255 31.700 -0.305 0.000 0.959 91 E N -0.473 119.576 120.200 -0.251 0.000 2.190 91 E HA 0.026 4.375 4.350 -0.003 0.000 0.191 91 E C 0.482 176.930 176.600 -0.254 0.000 0.978 91 E CA 0.326 56.586 56.400 -0.232 0.000 0.839 91 E CB -0.171 29.437 29.700 -0.154 0.000 0.787 91 E HN 0.131 nan 8.360 nan 0.000 0.473 92 V N 3.587 123.360 119.914 -0.235 0.000 2.318 92 V HA 0.090 4.208 4.120 -0.003 0.000 0.271 92 V C -0.662 175.248 176.094 -0.307 0.000 1.030 92 V CA -0.675 61.497 62.300 -0.214 0.000 0.844 92 V CB 0.422 32.166 31.823 -0.133 0.000 1.015 92 V HN 0.113 nan 8.190 nan 0.000 0.460 93 K N 5.656 125.813 120.400 -0.406 0.000 2.183 93 K HA 0.361 4.679 4.320 -0.003 0.000 0.272 93 K C -0.189 176.313 176.600 -0.163 0.000 1.113 93 K CA -0.598 55.346 56.287 -0.571 0.000 0.949 93 K CB 0.375 32.201 32.500 -1.123 0.000 1.365 93 K HN 0.730 nan 8.250 nan 0.000 0.420 94 D N 2.616 122.952 120.400 -0.107 0.000 2.507 94 D HA -0.026 4.612 4.640 -0.003 0.000 0.280 94 D C 1.122 177.464 176.300 0.070 0.000 1.219 94 D CA -0.889 53.123 54.000 0.020 0.000 1.085 94 D CB 0.103 40.880 40.800 -0.040 0.000 1.134 94 D HN 0.399 nan 8.370 nan 0.000 0.583 95 F N -0.192 119.742 119.950 -0.027 0.000 2.202 95 F HA 0.009 4.534 4.527 -0.002 0.000 0.301 95 F C 2.247 177.904 175.800 -0.239 0.000 1.082 95 F CA 0.781 58.642 58.000 -0.233 0.000 1.313 95 F CB -0.461 38.222 39.000 -0.529 0.000 1.024 95 F HN 0.022 nan 8.300 nan 0.000 0.495 96 R N -0.318 119.579 120.500 -1.005 0.000 2.120 96 R HA -0.148 4.191 4.340 -0.003 0.000 0.234 96 R C 2.104 178.333 176.300 -0.119 0.000 1.123 96 R CA 1.722 57.480 56.100 -0.569 0.000 0.975 96 R CB -0.840 29.113 30.300 -0.579 0.000 0.866 96 R HN 0.470 nan 8.270 nan 0.000 0.446 97 F N 0.007 119.781 119.950 -0.292 0.000 2.234 97 F HA -0.151 4.374 4.527 -0.003 0.000 0.299 97 F C 1.275 176.952 175.800 -0.205 0.000 1.087 97 F CA 1.233 59.032 58.000 -0.334 0.000 1.340 97 F CB 0.026 38.607 39.000 -0.698 0.000 1.031 97 F HN -0.072 nan 8.300 nan 0.000 0.500 98 Y N -2.106 118.222 120.300 0.046 0.000 2.389 98 Y HA -0.028 4.520 4.550 -0.003 0.000 0.292 98 Y C 2.058 178.046 175.900 0.146 0.000 1.117 98 Y CA 0.380 58.512 58.100 0.054 0.000 1.195 98 Y CB -0.557 37.979 38.460 0.126 0.000 1.076 98 Y HN -0.070 nan 8.280 nan 0.000 0.548 99 F N 0.480 120.421 119.950 -0.014 0.000 2.293 99 F HA -0.140 4.385 4.527 -0.003 0.000 0.300 99 F C 1.246 177.076 175.800 0.049 0.000 1.086 99 F CA 0.713 58.598 58.000 -0.193 0.000 1.375 99 F CB -1.007 37.861 39.000 -0.219 0.000 1.045 99 F HN 0.088 nan 8.300 nan 0.000 0.516 100 N N 0.912 119.742 118.700 0.218 0.000 3.254 100 N HA -0.025 4.714 4.740 -0.003 0.000 0.308 100 N C 0.134 175.647 175.510 0.006 0.000 1.281 100 N CA -0.183 52.929 53.050 0.103 0.000 1.212 100 N CB -0.178 38.382 38.487 0.122 0.000 1.478 100 N HN 0.264 nan 8.380 nan 0.000 0.548 101 Q N 2.211 122.037 119.800 0.043 0.000 2.274 101 Q HA 0.046 4.385 4.340 -0.003 0.000 0.280 101 Q C -0.944 174.993 176.000 -0.106 0.000 1.047 101 Q CA 0.546 56.362 55.803 0.021 0.000 0.907 101 Q CB 0.520 29.309 28.738 0.086 0.000 1.171 101 Q HN 0.349 nan 8.270 nan 0.000 0.381 102 K N 2.124 122.451 120.400 -0.122 0.000 2.482 102 K HA 0.699 5.018 4.320 -0.003 0.000 0.257 102 K C -0.252 176.305 176.600 -0.071 0.000 0.969 102 K CA -0.358 55.798 56.287 -0.218 0.000 0.842 102 K CB 1.944 34.097 32.500 -0.578 0.000 1.359 102 K HN 0.894 nan 8.250 nan 0.000 0.441 103 G N 0.934 109.685 108.800 -0.081 0.000 2.498 103 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.245 103 G HA3 -0.301 3.657 3.960 -0.003 0.000 0.245 103 G C 0.433 175.340 174.900 0.011 0.000 1.204 103 G CA 0.165 45.255 45.100 -0.016 0.000 0.933 103 G HN 0.526 nan 8.290 nan 0.000 0.574 104 L N 1.358 122.610 121.223 0.048 0.000 1.997 104 L HA -0.068 4.271 4.340 -0.003 0.000 0.216 104 L C 3.449 180.364 176.870 0.076 0.000 1.074 104 L CA 4.384 59.261 54.840 0.061 0.000 0.763 104 L CB -1.195 40.915 42.059 0.086 0.000 0.890 104 L HN 1.381 nan 8.230 nan 0.000 0.434 105 T N -4.164 110.464 114.554 0.122 0.000 2.788 105 T HA -0.165 4.184 4.350 -0.003 0.000 0.268 105 T C 1.843 176.577 174.700 0.056 0.000 1.044 105 T CA 1.571 63.754 62.100 0.138 0.000 1.139 105 T CB -1.159 67.851 68.868 0.237 0.000 0.867 105 T HN 0.183 nan 8.240 nan 0.000 0.454 106 V N 1.519 121.444 119.914 0.017 0.000 2.358 106 V HA -0.105 4.013 4.120 -0.003 0.000 0.246 106 V C 3.058 179.119 176.094 -0.055 0.000 1.047 106 V CA 1.831 64.104 62.300 -0.044 0.000 1.035 106 V CB -0.726 31.045 31.823 -0.087 0.000 0.658 106 V HN 0.429 nan 8.190 nan 0.000 0.452 107 R N 0.120 120.598 120.500 -0.036 0.000 2.083 107 R HA -0.157 4.181 4.340 -0.003 0.000 0.237 107 R C 2.374 178.671 176.300 -0.004 0.000 1.137 107 R CA 1.903 57.984 56.100 -0.032 0.000 0.951 107 R CB -0.601 29.688 30.300 -0.019 0.000 0.851 107 R HN 0.610 nan 8.270 nan 0.000 0.434 108 V N -1.149 118.775 119.914 0.016 0.000 2.515 108 V HA -0.161 3.957 4.120 -0.003 0.000 0.250 108 V C 1.581 177.690 176.094 0.026 0.000 1.058 108 V CA 1.687 64.006 62.300 0.031 0.000 1.064 108 V CB -0.418 31.431 31.823 0.043 0.000 0.675 108 V HN 0.254 nan 8.190 nan 0.000 0.461 109 E N 0.599 120.796 120.200 -0.005 0.000 2.110 109 E HA -0.082 4.267 4.350 -0.003 0.000 0.193 109 E C 2.187 178.812 176.600 0.041 0.000 0.988 109 E CA 1.695 58.073 56.400 -0.037 0.000 0.804 109 E CB -0.238 29.406 29.700 -0.094 0.000 0.745 109 E HN 0.625 nan 8.360 nan 0.000 0.458 110 L N 0.068 121.302 121.223 0.019 0.000 2.313 110 L HA -0.073 4.266 4.340 -0.003 0.000 0.214 110 L C 2.359 179.302 176.870 0.123 0.000 1.119 110 L CA 0.192 55.063 54.840 0.050 0.000 0.809 110 L CB -0.186 41.836 42.059 -0.061 0.000 0.933 110 L HN 0.234 nan 8.230 nan 0.000 0.449 111 M N -0.012 119.652 119.600 0.106 0.000 2.099 111 M HA -0.097 4.382 4.480 -0.003 0.000 0.262 111 M C 2.586 179.016 176.300 0.217 0.000 1.067 111 M CA 1.869 57.249 55.300 0.133 0.000 1.124 111 M CB -1.064 31.588 32.600 0.087 0.000 1.353 111 M HN 0.248 nan 8.290 nan 0.000 0.410 112 A N 0.102 123.066 122.820 0.241 0.000 1.883 112 A HA -0.192 4.126 4.320 -0.003 0.000 0.217 112 A C 2.189 180.128 177.584 0.591 0.000 1.186 112 A CA 1.628 53.909 52.037 0.407 0.000 0.624 112 A CB -1.068 18.128 19.000 0.327 0.000 0.822 112 A HN 0.445 nan 8.150 nan 0.000 0.444 113 L N 0.598 122.158 121.223 0.562 0.000 2.042 113 L HA -0.200 4.138 4.340 -0.003 0.000 0.210 113 L C 2.000 179.010 176.870 0.234 0.000 1.076 113 L CA 2.722 57.821 54.840 0.431 0.000 0.749 113 L CB -0.921 41.369 42.059 0.385 0.000 0.893 113 L HN 0.581 nan 8.230 nan 0.000 0.432 114 N N -2.112 116.729 118.700 0.234 0.000 2.166 114 N HA -0.309 4.430 4.740 -0.003 0.000 0.186 114 N C 2.030 177.640 175.510 0.168 0.000 1.019 114 N CA 1.352 54.507 53.050 0.175 0.000 0.856 114 N CB -0.409 38.182 38.487 0.173 0.000 0.993 114 N HN 0.501 nan 8.380 nan 0.000 0.426 115 Y N 1.038 121.402 120.300 0.106 0.000 2.181 115 Y HA -0.082 4.466 4.550 -0.003 0.000 0.288 115 Y C 1.829 177.761 175.900 0.054 0.000 1.146 115 Y CA 1.290 59.439 58.100 0.082 0.000 1.164 115 Y CB -0.366 38.157 38.460 0.103 0.000 0.982 115 Y HN 0.124 nan 8.280 nan 0.000 0.515 116 L N -0.508 120.708 121.223 -0.012 0.000 2.081 116 L HA -0.301 4.037 4.340 -0.003 0.000 0.212 116 L C 2.191 178.943 176.870 -0.197 0.000 1.080 116 L CA 1.970 56.699 54.840 -0.185 0.000 0.754 116 L CB -0.416 41.496 42.059 -0.246 0.000 0.893 116 L HN 0.383 nan 8.230 nan 0.000 0.433 117 M N -1.924 117.611 119.600 -0.108 0.000 2.509 117 M HA -0.021 4.458 4.480 -0.003 0.000 0.250 117 M C 1.645 177.893 176.300 -0.087 0.000 1.132 117 M CA 1.185 56.434 55.300 -0.085 0.000 1.080 117 M CB 0.151 32.729 32.600 -0.036 0.000 1.408 117 M HN 0.339 nan 8.290 nan 0.000 0.484 118 T N -5.090 109.403 114.554 -0.101 0.000 2.980 118 T HA 0.198 4.546 4.350 -0.003 0.000 0.252 118 T C 0.880 175.505 174.700 -0.124 0.000 0.962 118 T CA -0.316 61.740 62.100 -0.074 0.000 0.932 118 T CB 0.313 69.178 68.868 -0.005 0.000 1.188 118 T HN 0.058 nan 8.240 nan 0.000 0.500 119 K N 1.820 122.040 120.400 -0.300 0.000 3.088 119 K HA -0.159 4.160 4.320 -0.003 0.000 0.273 119 K C -0.506 176.089 176.600 -0.007 0.000 1.111 119 K CA 0.933 56.935 56.287 -0.476 0.000 0.803 119 K CB -1.793 30.505 32.500 -0.338 0.000 1.226 119 K HN 0.656 nan 8.250 nan 0.000 0.485 120 D N 0.931 121.411 120.400 0.133 0.000 2.346 120 D HA 0.093 4.731 4.640 -0.003 0.000 0.260 120 D C -1.285 175.198 176.300 0.304 0.000 1.252 120 D CA -2.083 52.027 54.000 0.183 0.000 0.895 120 D CB 1.036 41.914 40.800 0.129 0.000 1.097 120 D HN -0.032 nan 8.370 nan 0.000 0.489 121 P HA -0.238 nan 4.420 nan 0.000 0.217 121 P C 1.109 178.423 177.300 0.023 0.000 1.158 121 P CA 2.096 65.285 63.100 0.148 0.000 0.887 121 P CB -0.002 31.747 31.700 0.081 0.000 0.792 122 K N -0.805 119.618 120.400 0.039 0.000 2.283 122 K HA -0.032 4.286 4.320 -0.003 0.000 0.202 122 K C 1.694 178.294 176.600 0.000 0.000 1.048 122 K CA 1.135 57.425 56.287 0.005 0.000 0.948 122 K CB -0.998 31.512 32.500 0.017 0.000 0.742 122 K HN -0.006 nan 8.250 nan 0.000 0.458 123 V N 1.990 121.932 119.914 0.048 0.000 2.358 123 V HA -0.147 3.972 4.120 -0.003 0.000 0.246 123 V C 2.618 178.686 176.094 -0.043 0.000 1.047 123 V CA 2.120 64.459 62.300 0.064 0.000 1.035 123 V CB -0.871 31.058 31.823 0.177 0.000 0.658 123 V HN 0.662 nan 8.190 nan 0.000 0.452 124 G N -0.194 108.437 108.800 -0.282 0.000 2.422 124 G HA2 -0.204 3.755 3.960 -0.003 0.000 0.218 124 G HA3 -0.204 3.755 3.960 -0.003 0.000 0.218 124 G C 1.723 176.441 174.900 -0.304 0.000 1.146 124 G CA 0.349 45.077 45.100 -0.621 0.000 0.769 124 G HN 0.298 nan 8.290 nan 0.000 0.547 125 R N 0.400 120.779 120.500 -0.202 0.000 2.075 125 R HA -0.005 4.334 4.340 -0.003 0.000 0.232 125 R C 2.317 178.582 176.300 -0.060 0.000 1.126 125 R CA 1.300 57.333 56.100 -0.113 0.000 0.963 125 R CB -0.898 29.356 30.300 -0.077 0.000 0.858 125 R HN 0.578 nan 8.270 nan 0.000 0.435 126 E N 0.495 120.671 120.200 -0.040 0.000 2.077 126 E HA -0.150 4.198 4.350 -0.003 0.000 0.193 126 E C 1.875 178.475 176.600 0.000 0.000 0.989 126 E CA 1.355 57.749 56.400 -0.010 0.000 0.800 126 E CB -0.055 29.648 29.700 0.005 0.000 0.746 126 E HN 0.303 nan 8.360 nan 0.000 0.452 127 A N 0.823 123.640 122.820 -0.003 0.000 1.873 127 A HA -0.223 4.095 4.320 -0.003 0.000 0.218 127 A C 2.202 179.811 177.584 0.042 0.000 1.193 127 A CA 1.815 53.865 52.037 0.022 0.000 0.629 127 A CB -0.807 18.208 19.000 0.025 0.000 0.826 127 A HN 0.351 nan 8.150 nan 0.000 0.447 128 I N 0.084 120.668 120.570 0.024 0.000 2.179 128 I HA -0.244 3.924 4.170 -0.003 0.000 0.242 128 I C 2.851 179.027 176.117 0.100 0.000 1.088 128 I CA 1.937 63.300 61.300 0.105 0.000 1.357 128 I CB -0.581 37.441 38.000 0.037 0.000 1.051 128 I HN 0.560 nan 8.210 nan 0.000 0.409 129 T N -2.861 111.712 114.554 0.033 0.000 2.951 129 T HA -0.056 4.292 4.350 -0.003 0.000 0.268 129 T C 1.864 176.566 174.700 0.002 0.000 1.073 129 T CA 1.299 63.404 62.100 0.009 0.000 1.134 129 T CB -0.323 68.542 68.868 -0.005 0.000 0.884 129 T HN 0.162 nan 8.240 nan 0.000 0.479 130 S N 0.639 116.348 115.700 0.015 0.000 2.453 130 S HA 0.209 4.678 4.470 -0.003 0.000 0.231 130 S C 1.612 176.224 174.600 0.019 0.000 1.005 130 S CA 0.478 58.688 58.200 0.016 0.000 0.949 130 S CB -0.194 63.020 63.200 0.024 0.000 0.774 130 S HN 0.455 nan 8.310 nan 0.000 0.510 131 I N 0.126 120.705 120.570 0.015 0.000 4.139 131 I HA 0.261 4.429 4.170 -0.003 0.000 0.320 131 I C 1.444 177.476 176.117 -0.141 0.000 1.290 131 I CA 0.090 61.383 61.300 -0.013 0.000 1.253 131 I CB -0.021 37.995 38.000 0.026 0.000 1.122 131 I HN 0.106 nan 8.210 nan 0.000 0.421 132 I N 1.767 122.225 120.570 -0.187 0.000 2.163 132 I HA -0.277 3.891 4.170 -0.003 0.000 0.243 132 I C 1.858 177.786 176.117 -0.316 0.000 1.085 132 I CA 2.028 63.070 61.300 -0.430 0.000 1.347 132 I CB -0.821 36.986 38.000 -0.320 0.000 1.044 132 I HN 0.390 nan 8.210 nan 0.000 0.408 133 D N -0.936 119.367 120.400 -0.163 0.000 2.103 133 D HA -0.145 4.493 4.640 -0.003 0.000 0.199 133 D C 1.876 178.134 176.300 -0.069 0.000 0.978 133 D CA 1.611 55.544 54.000 -0.113 0.000 0.829 133 D CB -0.905 39.853 40.800 -0.071 0.000 0.981 133 D HN 0.252 nan 8.370 nan 0.000 0.464 134 T N 1.581 116.128 114.554 -0.013 0.000 2.699 134 T HA -0.163 4.186 4.350 -0.003 0.000 0.268 134 T C 2.050 176.876 174.700 0.211 0.000 1.036 134 T CA 0.779 62.941 62.100 0.105 0.000 1.147 134 T CB -0.425 68.565 68.868 0.203 0.000 0.862 134 T HN 0.015 nan 8.240 nan 0.000 0.446 135 L N 1.032 122.259 121.223 0.007 0.000 2.083 135 L HA -0.051 4.287 4.340 -0.003 0.000 0.209 135 L C 2.420 179.223 176.870 -0.112 0.000 1.083 135 L CA 1.724 56.455 54.840 -0.182 0.000 0.752 135 L CB -0.441 41.275 42.059 -0.571 0.000 0.899 135 L HN 0.261 nan 8.230 nan 0.000 0.433 136 E N -1.649 118.457 120.200 -0.158 0.000 2.208 136 E HA -0.143 4.206 4.350 -0.003 0.000 0.193 136 E C 1.589 178.161 176.600 -0.047 0.000 0.988 136 E CA 1.490 57.809 56.400 -0.136 0.000 0.828 136 E CB 0.058 29.665 29.700 -0.156 0.000 0.763 136 E HN 0.673 nan 8.360 nan 0.000 0.478 137 T N -2.666 111.882 114.554 -0.010 0.000 2.975 137 T HA 0.388 4.736 4.350 -0.003 0.000 0.257 137 T C 0.721 175.412 174.700 -0.014 0.000 1.003 137 T CA 0.007 62.098 62.100 -0.015 0.000 0.932 137 T CB 0.418 69.265 68.868 -0.035 0.000 1.087 137 T HN 0.080 nan 8.240 nan 0.000 0.512 138 A N 2.130 124.972 122.820 0.036 0.000 2.584 138 A HA 0.469 4.787 4.320 -0.003 0.000 0.239 138 A C 0.432 177.931 177.584 -0.141 0.000 1.043 138 A CA 0.228 52.196 52.037 -0.115 0.000 0.756 138 A CB -0.347 18.619 19.000 -0.057 0.000 0.963 138 A HN 0.504 nan 8.150 nan 0.000 0.511 139 T N 1.670 116.007 114.554 -0.361 0.000 2.908 139 T HA 0.669 5.017 4.350 -0.003 0.000 0.290 139 T C -0.902 173.492 174.700 -0.510 0.000 1.034 139 T CA -0.109 61.856 62.100 -0.225 0.000 1.010 139 T CB 0.993 69.785 68.868 -0.127 0.000 1.068 139 T HN 0.345 nan 8.240 nan 0.000 0.481 140 F N 1.623 121.537 119.950 -0.060 0.000 2.577 140 F HA 0.393 4.919 4.527 -0.002 0.000 0.344 140 F C 0.544 176.322 175.800 -0.038 0.000 1.145 140 F CA -1.155 56.811 58.000 -0.056 0.000 0.996 140 F CB 1.326 40.274 39.000 -0.087 0.000 1.248 140 F HN 0.232 nan 8.300 nan 0.000 0.447 141 K N 3.644 124.086 120.400 0.070 0.000 2.448 141 K HA 0.159 4.477 4.320 -0.003 0.000 0.278 141 K C -2.324 174.313 176.600 0.062 0.000 1.009 141 K CA -1.408 54.899 56.287 0.033 0.000 0.995 141 K CB 0.145 32.627 32.500 -0.029 0.000 0.917 141 K HN 0.211 nan 8.250 nan 0.000 0.481 142 P HA -0.036 nan 4.420 nan 0.000 0.262 142 P C -1.108 176.210 177.300 0.030 0.000 1.182 142 P CA 0.392 63.514 63.100 0.037 0.000 0.761 142 P CB 0.774 32.487 31.700 0.022 0.000 0.795 143 A N 2.657 125.502 122.820 0.042 0.000 2.540 143 A HA 0.637 4.956 4.320 -0.003 0.000 0.291 143 A C -0.088 177.535 177.584 0.065 0.000 1.083 143 A CA -0.309 51.752 52.037 0.041 0.000 0.650 143 A CB 0.333 19.355 19.000 0.036 0.000 1.292 143 A HN 0.538 nan 8.150 nan 0.000 0.435 144 G N 0.979 109.828 108.800 0.082 0.000 2.151 144 G HA2 0.378 4.336 3.960 -0.003 0.000 0.269 144 G HA3 0.378 4.336 3.960 -0.003 0.000 0.269 144 G C -0.055 174.956 174.900 0.185 0.000 1.069 144 G CA 1.199 46.378 45.100 0.133 0.000 1.080 144 G HN 0.929 nan 8.290 nan 0.000 0.405 145 D N 0.910 121.356 120.400 0.077 0.000 2.772 145 D HA -0.215 4.424 4.640 -0.003 0.000 0.233 145 D C 1.505 177.809 176.300 0.006 0.000 1.143 145 D CA 0.779 54.779 54.000 -0.001 0.000 0.700 145 D CB -0.730 39.973 40.800 -0.162 0.000 1.076 145 D HN 0.488 nan 8.370 nan 0.000 0.430 146 I N 0.570 121.155 120.570 0.026 0.000 2.399 146 I HA -0.256 3.913 4.170 -0.003 0.000 0.254 146 I C 2.037 178.066 176.117 -0.147 0.000 1.146 146 I CA 1.779 63.073 61.300 -0.009 0.000 1.412 146 I CB -0.143 37.871 38.000 0.024 0.000 1.076 146 I HN 0.025 nan 8.210 nan 0.000 0.432 147 S N 0.120 115.752 115.700 -0.114 0.000 2.440 147 S HA -0.177 4.292 4.470 -0.003 0.000 0.238 147 S C 1.993 176.511 174.600 -0.137 0.000 1.010 147 S CA 1.070 59.192 58.200 -0.131 0.000 0.972 147 S CB -0.351 62.821 63.200 -0.047 0.000 0.774 147 S HN 0.529 nan 8.310 nan 0.000 0.501 148 R N 0.346 120.760 120.500 -0.143 0.000 2.090 148 R HA 0.011 4.349 4.340 -0.003 0.000 0.228 148 R C 2.674 178.857 176.300 -0.195 0.000 1.110 148 R CA 1.091 57.083 56.100 -0.181 0.000 0.973 148 R CB -0.584 29.441 30.300 -0.459 0.000 0.869 148 R HN 0.439 nan 8.270 nan 0.000 0.440 149 G N 1.205 109.827 108.800 -0.296 0.000 2.394 149 G HA2 -0.183 3.775 3.960 -0.003 0.000 0.214 149 G HA3 -0.183 3.775 3.960 -0.003 0.000 0.214 149 G C 1.456 175.987 174.900 -0.614 0.000 1.176 149 G CA 0.382 45.145 45.100 -0.561 0.000 0.786 149 G HN 0.105 nan 8.290 nan 0.000 0.533 150 I N 1.374 121.466 120.570 -0.796 0.000 2.127 150 I HA -0.133 4.036 4.170 -0.003 0.000 0.241 150 I C 3.095 179.053 176.117 -0.264 0.000 1.075 150 I CA 1.204 61.980 61.300 -0.874 0.000 1.334 150 I CB -0.548 36.967 38.000 -0.808 0.000 1.040 150 I HN 0.244 nan 8.210 nan 0.000 0.405 151 G N 0.857 109.565 108.800 -0.153 0.000 2.422 151 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.218 151 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.218 151 G C 1.656 176.589 174.900 0.055 0.000 1.146 151 G CA 0.526 45.621 45.100 -0.009 0.000 0.769 151 G HN 0.248 nan 8.290 nan 0.000 0.547 152 L N -0.543 120.711 121.223 0.052 0.000 2.083 152 L HA 0.149 4.488 4.340 -0.003 0.000 0.209 152 L C 2.343 179.341 176.870 0.214 0.000 1.083 152 L CA 1.290 56.202 54.840 0.120 0.000 0.752 152 L CB -0.524 41.615 42.059 0.134 0.000 0.899 152 L HN 0.190 nan 8.230 nan 0.000 0.433 153 F N -0.401 119.570 119.950 0.036 0.000 2.234 153 F HA -0.167 4.358 4.527 -0.003 0.000 0.299 153 F C 2.190 178.071 175.800 0.136 0.000 1.087 153 F CA 1.493 59.556 58.000 0.106 0.000 1.340 153 F CB -0.278 38.823 39.000 0.169 0.000 1.031 153 F HN 0.096 nan 8.300 nan 0.000 0.500 154 M N -1.224 118.453 119.600 0.129 0.000 2.175 154 M HA -0.162 4.317 4.480 -0.003 0.000 0.264 154 M C 2.049 178.458 176.300 0.181 0.000 1.063 154 M CA 1.140 56.539 55.300 0.164 0.000 1.119 154 M CB -0.563 32.135 32.600 0.163 0.000 1.377 154 M HN -0.064 nan 8.290 nan 0.000 0.415 155 V N 0.146 120.146 119.914 0.143 0.000 2.343 155 V HA -0.248 3.870 4.120 -0.003 0.000 0.247 155 V C 2.337 178.504 176.094 0.121 0.000 1.051 155 V CA 2.253 64.651 62.300 0.164 0.000 1.036 155 V CB -1.057 30.898 31.823 0.219 0.000 0.654 155 V HN 0.494 nan 8.190 nan 0.000 0.451 156 T N 0.400 115.006 114.554 0.086 0.000 2.684 156 T HA -0.159 4.189 4.350 -0.003 0.000 0.267 156 T C 1.911 176.637 174.700 0.043 0.000 1.036 156 T CA 1.688 63.805 62.100 0.029 0.000 1.148 156 T CB -0.716 68.177 68.868 0.043 0.000 0.863 156 T HN 0.632 nan 8.240 nan 0.000 0.436 157 G N 0.978 109.831 108.800 0.088 0.000 2.418 157 G HA2 -0.062 3.897 3.960 -0.003 0.000 0.217 157 G HA3 -0.062 3.897 3.960 -0.003 0.000 0.217 157 G C 1.821 177.027 174.900 0.510 0.000 1.158 157 G CA 0.950 46.241 45.100 0.320 0.000 0.771 157 G HN 0.591 nan 8.290 nan 0.000 0.545 158 A N 0.734 123.737 122.820 0.306 0.000 1.902 158 A HA 0.058 4.377 4.320 -0.003 0.000 0.217 158 A C 2.398 179.966 177.584 -0.026 0.000 1.181 158 A CA 1.258 53.322 52.037 0.046 0.000 0.623 158 A CB -0.362 18.577 19.000 -0.103 0.000 0.818 158 A HN 0.370 nan 8.150 nan 0.000 0.443 159 I N -0.437 120.045 120.570 -0.148 0.000 2.163 159 I HA -0.252 3.916 4.170 -0.003 0.000 0.243 159 I C 2.386 178.257 176.117 -0.410 0.000 1.085 159 I CA 1.379 62.342 61.300 -0.562 0.000 1.347 159 I CB -0.333 37.270 38.000 -0.663 0.000 1.044 159 I HN 0.173 nan 8.210 nan 0.000 0.408 160 V N -0.062 119.786 119.914 -0.111 0.000 2.261 160 V HA -0.338 3.781 4.120 -0.003 0.000 0.246 160 V C 2.249 178.343 176.094 0.001 0.000 1.047 160 V CA 2.015 64.317 62.300 0.004 0.000 1.015 160 V CB -0.855 31.015 31.823 0.078 0.000 0.642 160 V HN 0.370 nan 8.190 nan 0.000 0.446 161 Y N 1.196 121.402 120.300 -0.157 0.000 2.114 161 Y HA -0.354 4.195 4.550 -0.002 0.000 0.282 161 Y C 2.440 178.340 175.900 0.000 0.000 1.165 161 Y CA 2.523 60.477 58.100 -0.244 0.000 1.148 161 Y CB -0.228 38.135 38.460 -0.161 0.000 0.972 161 Y HN 0.446 nan 8.280 nan 0.000 0.504 162 D N -1.451 119.132 120.400 0.304 0.000 2.120 162 D HA -0.186 4.452 4.640 -0.003 0.000 0.202 162 D C 1.693 178.297 176.300 0.507 0.000 0.972 162 D CA 1.547 55.804 54.000 0.427 0.000 0.837 162 D CB -0.426 40.624 40.800 0.416 0.000 0.989 162 D HN 0.327 nan 8.370 nan 0.000 0.469 163 W N 0.161 121.565 121.300 0.172 0.000 2.425 163 W HA 0.088 4.747 4.660 -0.003 0.000 0.277 163 W C 1.451 178.126 176.519 0.259 0.000 1.231 163 W CA 0.047 57.512 57.345 0.201 0.000 1.248 163 W CB -0.840 28.736 29.460 0.192 0.000 1.117 163 W HN 0.142 nan 8.180 nan 0.000 0.568 164 C N -1.189 118.310 119.300 0.332 0.000 2.742 164 C HA 0.195 4.653 4.460 -0.003 0.000 0.283 164 C C 1.905 176.853 174.990 -0.070 0.000 1.451 164 C CA -1.072 57.996 59.018 0.084 0.000 1.785 164 C CB -2.134 25.517 27.740 -0.149 0.000 2.664 164 C HN 0.275 nan 8.230 nan 0.000 0.544 165 Y N 3.675 123.883 120.300 -0.153 0.000 2.165 165 Y HA -0.242 4.306 4.550 -0.002 0.000 0.286 165 Y C 2.096 177.825 175.900 -0.285 0.000 1.155 165 Y CA 2.540 60.396 58.100 -0.407 0.000 1.164 165 Y CB 0.014 38.048 38.460 -0.709 0.000 0.978 165 Y HN 0.492 nan 8.280 nan 0.000 0.513 166 D N -1.218 119.171 120.400 -0.018 0.000 2.378 166 D HA -0.125 4.513 4.640 -0.003 0.000 0.227 166 D C 1.231 177.458 176.300 -0.122 0.000 1.012 166 D CA 0.651 54.627 54.000 -0.041 0.000 0.905 166 D CB -0.382 40.493 40.800 0.125 0.000 0.895 166 D HN 0.385 nan 8.370 nan 0.000 0.532 167 Q N -0.118 119.562 119.800 -0.201 0.000 2.356 167 Q HA 0.253 4.592 4.340 -0.003 0.000 0.205 167 Q C 0.650 176.492 176.000 -0.264 0.000 0.901 167 Q CA -0.135 55.532 55.803 -0.227 0.000 0.938 167 Q CB 0.800 29.342 28.738 -0.327 0.000 1.081 167 Q HN 0.395 nan 8.270 nan 0.000 0.517 168 L N 1.985 122.974 121.223 -0.390 0.000 2.410 168 L HA 0.069 4.407 4.340 -0.003 0.000 0.273 168 L C 0.539 177.234 176.870 -0.292 0.000 1.152 168 L CA 0.209 54.808 54.840 -0.402 0.000 0.855 168 L CB 0.387 42.037 42.059 -0.683 0.000 1.129 168 L HN -0.208 nan 8.230 nan 0.000 0.463 169 K N 4.532 124.829 120.400 -0.172 0.000 2.202 169 K HA 0.155 4.473 4.320 -0.003 0.000 0.264 169 K C -1.528 175.014 176.600 -0.097 0.000 1.010 169 K CA -1.466 54.754 56.287 -0.112 0.000 0.940 169 K CB 0.805 33.268 32.500 -0.062 0.000 0.983 169 K HN 0.248 nan 8.250 nan 0.000 0.475 170 P HA -0.201 nan 4.420 nan 0.000 0.216 170 P C 0.240 177.541 177.300 0.003 0.000 1.153 170 P CA 1.422 64.501 63.100 -0.035 0.000 0.858 170 P CB 0.265 31.954 31.700 -0.018 0.000 0.789 171 E N -0.064 120.138 120.200 0.004 0.000 2.150 171 E HA -0.153 4.196 4.350 -0.003 0.000 0.193 171 E C 1.846 178.473 176.600 0.046 0.000 0.985 171 E CA 1.068 57.480 56.400 0.020 0.000 0.814 171 E CB -1.098 28.605 29.700 0.006 0.000 0.752 171 E HN 0.437 nan 8.360 nan 0.000 0.466 172 E N 0.969 121.200 120.200 0.052 0.000 2.150 172 E HA -0.119 4.229 4.350 -0.003 0.000 0.193 172 E C 1.809 178.577 176.600 0.280 0.000 0.985 172 E CA 0.846 57.329 56.400 0.139 0.000 0.814 172 E CB -0.066 29.706 29.700 0.120 0.000 0.752 172 E HN 0.214 nan 8.360 nan 0.000 0.466 173 K N 0.194 120.687 120.400 0.156 0.000 2.026 173 K HA -0.112 4.207 4.320 -0.003 0.000 0.208 173 K C 2.291 179.075 176.600 0.306 0.000 1.048 173 K CA 1.707 58.146 56.287 0.254 0.000 0.929 173 K CB -0.191 32.379 32.500 0.117 0.000 0.713 173 K HN 0.049 nan 8.250 nan 0.000 0.439 174 T N 0.913 115.569 114.554 0.169 0.000 2.746 174 T HA -0.119 4.230 4.350 -0.003 0.000 0.267 174 T C 1.840 176.584 174.700 0.074 0.000 1.039 174 T CA 1.182 63.347 62.100 0.108 0.000 1.142 174 T CB -0.129 68.776 68.868 0.062 0.000 0.866 174 T HN 0.231 nan 8.240 nan 0.000 0.444 175 R N -0.119 120.423 120.500 0.070 0.000 2.073 175 R HA -0.014 4.325 4.340 -0.003 0.000 0.234 175 R C 2.220 178.468 176.300 -0.086 0.000 1.134 175 R CA 1.346 57.429 56.100 -0.029 0.000 0.952 175 R CB -0.530 29.728 30.300 -0.070 0.000 0.850 175 R HN 0.332 nan 8.270 nan 0.000 0.433 176 F N 0.444 120.362 119.950 -0.052 0.000 2.046 176 F HA -0.284 4.241 4.527 -0.003 0.000 0.297 176 F C 2.507 178.202 175.800 -0.175 0.000 1.123 176 F CA 1.534 59.440 58.000 -0.156 0.000 1.199 176 F CB -0.710 38.404 39.000 0.189 0.000 0.972 176 F HN -0.221 nan 8.300 nan 0.000 0.474 177 V N 0.452 120.493 119.914 0.212 0.000 2.250 177 V HA -0.401 3.717 4.120 -0.003 0.000 0.250 177 V C 2.314 178.331 176.094 -0.128 0.000 1.060 177 V CA 2.221 64.548 62.300 0.046 0.000 1.030 177 V CB -0.717 31.063 31.823 -0.072 0.000 0.643 177 V HN 0.325 nan 8.190 nan 0.000 0.445 178 K N 0.113 120.428 120.400 -0.141 0.000 2.032 178 K HA -0.182 4.136 4.320 -0.003 0.000 0.209 178 K C 2.321 178.825 176.600 -0.159 0.000 1.048 178 K CA 1.625 57.816 56.287 -0.159 0.000 0.927 178 K CB -0.533 31.899 32.500 -0.113 0.000 0.712 178 K HN 0.503 nan 8.250 nan 0.000 0.441 179 A N 1.161 123.852 122.820 -0.216 0.000 1.902 179 A HA -0.133 4.186 4.320 -0.003 0.000 0.217 179 A C 2.039 179.485 177.584 -0.230 0.000 1.181 179 A CA 1.230 53.105 52.037 -0.270 0.000 0.623 179 A CB -0.826 17.905 19.000 -0.449 0.000 0.818 179 A HN 0.231 nan 8.150 nan 0.000 0.443 180 F N -0.375 119.488 119.950 -0.145 0.000 2.171 180 F HA -0.179 4.347 4.527 -0.002 0.000 0.300 180 F C 2.406 178.068 175.800 -0.230 0.000 1.090 180 F CA 1.174 59.076 58.000 -0.162 0.000 1.293 180 F CB -0.165 38.738 39.000 -0.162 0.000 1.013 180 F HN 0.051 nan 8.300 nan 0.000 0.486 181 V N 0.091 119.942 119.914 -0.105 0.000 2.358 181 V HA -0.279 3.840 4.120 -0.003 0.000 0.246 181 V C 2.402 178.412 176.094 -0.140 0.000 1.047 181 V CA 1.870 64.020 62.300 -0.249 0.000 1.035 181 V CB -0.647 31.035 31.823 -0.235 0.000 0.658 181 V HN 0.254 nan 8.190 nan 0.000 0.452 182 R N -0.103 120.350 120.500 -0.079 0.000 2.083 182 R HA -0.177 4.162 4.340 -0.003 0.000 0.237 182 R C 2.280 178.579 176.300 -0.001 0.000 1.137 182 R CA 1.834 57.917 56.100 -0.028 0.000 0.951 182 R CB -0.322 29.961 30.300 -0.028 0.000 0.851 182 R HN 0.449 nan 8.270 nan 0.000 0.434 183 L N 0.031 121.255 121.223 0.003 0.000 2.056 183 L HA -0.091 4.248 4.340 -0.003 0.000 0.207 183 L C 2.714 179.580 176.870 -0.008 0.000 1.078 183 L CA 1.230 56.088 54.840 0.029 0.000 0.749 183 L CB -0.486 41.617 42.059 0.073 0.000 0.901 183 L HN 0.314 nan 8.230 nan 0.000 0.433 184 A N -0.044 122.748 122.820 -0.047 0.000 1.972 184 A HA -0.195 4.123 4.320 -0.003 0.000 0.219 184 A C 2.247 179.854 177.584 0.038 0.000 1.169 184 A CA 1.420 53.422 52.037 -0.058 0.000 0.635 184 A CB -0.333 18.501 19.000 -0.277 0.000 0.810 184 A HN 0.318 nan 8.150 nan 0.000 0.446 185 K N -0.805 119.622 120.400 0.044 0.000 2.362 185 K HA 0.021 4.340 4.320 -0.003 0.000 0.200 185 K C 1.634 178.278 176.600 0.073 0.000 1.046 185 K CA 1.167 57.522 56.287 0.113 0.000 0.952 185 K CB -0.203 32.359 32.500 0.104 0.000 0.753 185 K HN 0.561 nan 8.250 nan 0.000 0.466 186 M N 0.595 120.217 119.600 0.035 0.000 2.447 186 M HA 0.032 4.510 4.480 -0.003 0.000 0.264 186 M C 0.473 176.771 176.300 -0.003 0.000 1.095 186 M CA 0.488 55.794 55.300 0.011 0.000 1.125 186 M CB -0.010 32.577 32.600 -0.022 0.000 1.389 186 M HN 0.014 nan 8.290 nan 0.000 0.459 187 L N 0.767 121.995 121.223 0.009 0.000 2.467 187 L HA -0.009 4.329 4.340 -0.003 0.000 0.270 187 L C 1.513 178.404 176.870 0.034 0.000 1.205 187 L CA -0.067 54.781 54.840 0.013 0.000 0.828 187 L CB 0.308 42.390 42.059 0.039 0.000 1.101 187 L HN 0.210 nan 8.230 nan 0.000 0.479 188 E N 0.766 120.982 120.200 0.027 0.000 2.118 188 E HA -0.211 4.137 4.350 -0.003 0.000 0.195 188 E C 1.926 178.554 176.600 0.047 0.000 0.992 188 E CA 1.781 58.199 56.400 0.031 0.000 0.804 188 E CB -0.063 29.650 29.700 0.022 0.000 0.741 188 E HN 0.927 nan 8.360 nan 0.000 0.458 189 C N -0.474 118.865 119.300 0.064 0.000 2.456 189 C HA 0.384 4.843 4.460 -0.003 0.000 0.279 189 C C 1.412 176.450 174.990 0.080 0.000 1.427 189 C CA -0.238 58.826 59.018 0.077 0.000 1.778 189 C CB -1.345 26.453 27.740 0.098 0.000 1.842 189 C HN 0.454 nan 8.230 nan 0.000 0.531 190 G N -0.261 108.594 108.800 0.091 0.000 2.782 190 G HA2 -0.083 3.876 3.960 -0.003 0.000 0.228 190 G HA3 -0.083 3.876 3.960 -0.003 0.000 0.228 190 G C -1.080 173.935 174.900 0.192 0.000 1.372 190 G CA 0.097 45.264 45.100 0.111 0.000 0.862 190 G HN 1.406 nan 8.290 nan 0.000 0.547 191 Y N 0.799 121.126 120.300 0.047 0.000 2.298 191 Y HA 0.539 5.088 4.550 -0.002 0.000 0.322 191 Y C -2.107 173.829 175.900 0.061 0.000 1.138 191 Y CA -1.351 56.784 58.100 0.059 0.000 1.127 191 Y CB 1.492 39.994 38.460 0.070 0.000 1.178 191 Y HN 0.699 nan 8.280 nan 0.000 0.428 192 P HA 0.127 nan 4.420 nan 0.000 0.269 192 P C -2.698 174.517 177.300 -0.142 0.000 1.211 192 P CA -0.995 61.791 63.100 -0.523 0.000 0.781 192 P CB 0.240 31.750 31.700 -0.318 0.000 0.877 193 P HA 0.020 nan 4.420 nan 0.000 0.225 193 P C 0.356 177.676 177.300 0.032 0.000 1.813 193 P CA 0.076 63.206 63.100 0.050 0.000 1.013 193 P CB -0.414 31.339 31.700 0.088 0.000 1.961 194 V N -1.742 118.180 119.914 0.014 0.000 3.376 194 V HA 0.336 4.455 4.120 -0.003 0.000 0.313 194 V C 0.484 176.591 176.094 0.022 0.000 1.393 194 V CA 0.025 62.331 62.300 0.010 0.000 1.125 194 V CB -0.723 31.093 31.823 -0.013 0.000 1.037 194 V HN -0.012 nan 8.190 nan 0.000 0.440 195 K N 0.757 121.179 120.400 0.037 0.000 2.238 195 K HA 0.587 4.905 4.320 -0.003 0.000 0.239 195 K C -0.339 176.285 176.600 0.040 0.000 0.987 195 K CA -0.384 55.923 56.287 0.033 0.000 0.857 195 K CB 1.440 33.960 32.500 0.034 0.000 1.154 195 K HN 0.221 nan 8.250 nan 0.000 0.439 196 D N -0.123 120.292 120.400 0.024 0.000 3.672 196 D HA -0.162 4.477 4.640 -0.003 0.000 0.258 196 D C -1.173 175.133 176.300 0.011 0.000 1.876 196 D CA 1.140 55.151 54.000 0.018 0.000 1.168 196 D CB 0.123 40.942 40.800 0.032 0.000 0.839 196 D HN 0.339 nan 8.370 nan 0.000 1.037 197 K N -0.750 119.653 120.400 0.006 0.000 2.295 197 K HA 0.667 4.985 4.320 -0.003 0.000 0.239 197 K C -0.048 176.513 176.600 -0.065 0.000 0.991 197 K CA -0.625 55.643 56.287 -0.031 0.000 0.845 197 K CB 1.705 34.183 32.500 -0.038 0.000 1.197 197 K HN 0.309 nan 8.250 nan 0.000 0.441 198 S N 0.233 115.820 115.700 -0.188 0.000 2.526 198 S HA 0.202 4.671 4.470 -0.003 0.000 0.220 198 S C 1.578 175.922 174.600 -0.427 0.000 1.017 198 S CA -0.152 57.712 58.200 -0.559 0.000 0.930 198 S CB 0.126 62.982 63.200 -0.574 0.000 0.856 198 S HN 0.476 nan 8.310 nan 0.000 0.497 199 I N 0.853 121.350 120.570 -0.123 0.000 3.616 199 I HA 0.181 4.349 4.170 -0.003 0.000 0.296 199 I C 0.746 177.001 176.117 0.231 0.000 1.226 199 I CA 0.064 61.414 61.300 0.083 0.000 1.394 199 I CB 0.337 38.395 38.000 0.096 0.000 1.171 199 I HN 0.143 nan 8.210 nan 0.000 0.442 200 V N -1.812 118.191 119.914 0.147 0.000 3.119 200 V HA 0.967 5.085 4.120 -0.003 0.000 0.309 200 V C 0.321 176.472 176.094 0.094 0.000 1.304 200 V CA -0.266 62.145 62.300 0.185 0.000 1.057 200 V CB 0.577 32.512 31.823 0.188 0.000 1.150 200 V HN 0.388 nan 8.190 nan 0.000 0.474 201 G N -0.795 108.040 108.800 0.058 0.000 2.796 201 G HA2 0.205 4.163 3.960 -0.003 0.000 0.226 201 G HA3 0.205 4.163 3.960 -0.003 0.000 0.226 201 G C 0.803 175.725 174.900 0.036 0.000 1.381 201 G CA 0.490 45.587 45.100 -0.004 0.000 0.867 201 G HN 2.275 nan 8.290 nan 0.000 0.552 202 A N -0.837 121.990 122.820 0.011 0.000 2.019 202 A HA 0.334 4.652 4.320 -0.003 0.000 0.219 202 A C 2.796 180.432 177.584 0.087 0.000 1.164 202 A CA 2.972 55.033 52.037 0.039 0.000 0.644 202 A CB -0.651 18.357 19.000 0.014 0.000 0.805 202 A HN 2.414 nan 8.150 nan 0.000 0.449 203 A N -1.092 121.791 122.820 0.106 0.000 2.208 203 A HA 0.226 4.544 4.320 -0.003 0.000 0.209 203 A C 1.717 179.475 177.584 0.289 0.000 1.161 203 A CA 1.069 53.213 52.037 0.178 0.000 0.782 203 A CB -0.266 18.842 19.000 0.181 0.000 0.816 203 A HN 0.308 nan 8.150 nan 0.000 0.477 204 S N -0.205 115.624 115.700 0.216 0.000 2.583 204 S HA 0.213 4.681 4.470 -0.003 0.000 0.239 204 S C 0.552 175.239 174.600 0.144 0.000 0.966 204 S CA -0.113 58.243 58.200 0.260 0.000 0.973 204 S CB 0.070 63.408 63.200 0.230 0.000 0.794 204 S HN 0.696 nan 8.310 nan 0.000 0.463 205 E N -0.453 119.789 120.200 0.071 0.000 4.050 205 E HA 0.252 4.600 4.350 -0.003 0.000 0.283 205 E C 0.329 176.848 176.600 -0.134 0.000 0.811 205 E CA -0.587 55.745 56.400 -0.113 0.000 1.609 205 E CB 0.113 29.778 29.700 -0.058 0.000 2.009 205 E HN 0.353 nan 8.360 nan 0.000 0.442 206 W N 1.500 122.829 121.300 0.048 0.000 2.518 206 W HA -0.014 4.644 4.660 -0.002 0.000 0.273 206 W C 2.289 178.800 176.519 -0.013 0.000 1.247 206 W CA 0.618 57.958 57.345 -0.010 0.000 1.288 206 W CB -0.211 29.266 29.460 0.029 0.000 1.107 206 W HN 0.391 nan 8.180 nan 0.000 0.586 207 M N -1.063 118.671 119.600 0.224 0.000 2.117 207 M HA -0.085 4.393 4.480 -0.003 0.000 0.262 207 M C 1.625 177.979 176.300 0.090 0.000 1.065 207 M CA 1.957 57.342 55.300 0.142 0.000 1.114 207 M CB -0.941 31.729 32.600 0.117 0.000 1.361 207 M HN 0.030 nan 8.290 nan 0.000 0.408 208 I N 0.004 120.610 120.570 0.060 0.000 2.685 208 I HA -0.031 4.137 4.170 -0.003 0.000 0.251 208 I C 2.568 178.644 176.117 -0.068 0.000 1.102 208 I CA 0.724 62.018 61.300 -0.010 0.000 1.442 208 I CB -0.161 37.791 38.000 -0.080 0.000 1.194 208 I HN 0.244 nan 8.210 nan 0.000 0.448 209 M N -0.005 119.550 119.600 -0.075 0.000 2.374 209 M HA -0.142 4.337 4.480 -0.003 0.000 0.264 209 M C 2.272 178.544 176.300 -0.047 0.000 1.067 209 M CA 1.573 56.795 55.300 -0.130 0.000 1.103 209 M CB -0.165 32.416 32.600 -0.031 0.000 1.402 209 M HN 0.206 nan 8.290 nan 0.000 0.444 210 R N -0.102 120.402 120.500 0.007 0.000 2.125 210 R HA -0.010 4.329 4.340 -0.003 0.000 0.195 210 R C 1.393 177.747 176.300 0.089 0.000 1.138 210 R CA 0.570 56.690 56.100 0.034 0.000 1.123 210 R CB 0.262 30.474 30.300 -0.147 0.000 1.049 210 R HN 0.112 nan 8.270 nan 0.000 0.503 211 D N 1.180 121.632 120.400 0.087 0.000 2.084 211 D HA -0.136 4.502 4.640 -0.003 0.000 0.199 211 D C 1.897 178.230 176.300 0.055 0.000 0.981 211 D CA 0.864 54.917 54.000 0.089 0.000 0.841 211 D CB -0.313 40.543 40.800 0.093 0.000 0.997 211 D HN 0.101 nan 8.370 nan 0.000 0.454 212 L N 0.669 121.920 121.223 0.047 0.000 2.046 212 L HA -0.102 4.237 4.340 -0.003 0.000 0.208 212 L C 2.357 179.245 176.870 0.031 0.000 1.077 212 L CA 1.003 55.865 54.840 0.038 0.000 0.747 212 L CB -1.115 40.986 42.059 0.070 0.000 0.896 212 L HN 0.060 nan 8.230 nan 0.000 0.432 213 L N -1.024 120.212 121.223 0.021 0.000 2.012 213 L HA -0.221 4.118 4.340 -0.003 0.000 0.210 213 L C 2.567 179.484 176.870 0.079 0.000 1.073 213 L CA 1.890 56.748 54.840 0.031 0.000 0.748 213 L CB -0.859 41.175 42.059 -0.041 0.000 0.891 213 L HN 0.205 nan 8.230 nan 0.000 0.431 214 S N -1.077 114.671 115.700 0.081 0.000 2.359 214 S HA -0.187 4.282 4.470 -0.003 0.000 0.224 214 S C 1.929 176.491 174.600 -0.063 0.000 1.035 214 S CA 1.595 59.830 58.200 0.059 0.000 1.018 214 S CB -0.510 62.799 63.200 0.181 0.000 0.876 214 S HN 0.374 nan 8.310 nan 0.000 0.448 215 V N 1.548 121.385 119.914 -0.130 0.000 2.358 215 V HA -0.087 4.032 4.120 -0.003 0.000 0.246 215 V C 2.654 178.599 176.094 -0.248 0.000 1.047 215 V CA 1.740 63.813 62.300 -0.379 0.000 1.035 215 V CB -1.620 29.876 31.823 -0.546 0.000 0.658 215 V HN 0.570 nan 8.190 nan 0.000 0.452 216 G N 0.501 109.283 108.800 -0.031 0.000 2.491 216 G HA2 -0.277 3.682 3.960 -0.003 0.000 0.218 216 G HA3 -0.277 3.682 3.960 -0.003 0.000 0.218 216 G C 1.568 176.569 174.900 0.168 0.000 1.180 216 G CA 1.394 46.590 45.100 0.161 0.000 0.774 216 G HN 0.491 nan 8.290 nan 0.000 0.562 217 I N 1.451 122.089 120.570 0.113 0.000 2.163 217 I HA -0.213 3.956 4.170 -0.003 0.000 0.243 217 I C 3.319 179.416 176.117 -0.033 0.000 1.085 217 I CA 1.081 62.348 61.300 -0.055 0.000 1.347 217 I CB -0.325 37.644 38.000 -0.051 0.000 1.044 217 I HN 0.260 nan 8.210 nan 0.000 0.408 218 A N 1.381 124.181 122.820 -0.033 0.000 1.902 218 A HA -0.151 4.167 4.320 -0.003 0.000 0.217 218 A C 2.127 179.790 177.584 0.132 0.000 1.181 218 A CA 1.883 53.956 52.037 0.060 0.000 0.623 218 A CB -0.786 18.181 19.000 -0.055 0.000 0.818 218 A HN 0.651 nan 8.150 nan 0.000 0.443 219 I N -4.731 115.786 120.570 -0.088 0.000 3.891 219 I HA 0.283 4.451 4.170 -0.003 0.000 0.331 219 I C 1.643 177.849 176.117 0.149 0.000 1.406 219 I CA -0.186 61.071 61.300 -0.072 0.000 1.139 219 I CB -0.170 37.630 38.000 -0.333 0.000 1.056 219 I HN 0.212 nan 8.210 nan 0.000 0.399 220 Y N 2.618 122.931 120.300 0.022 0.000 2.151 220 Y HA -0.289 4.259 4.550 -0.003 0.000 0.284 220 Y C 2.012 177.932 175.900 0.034 0.000 1.166 220 Y CA 2.105 60.194 58.100 -0.019 0.000 1.163 220 Y CB -0.083 38.264 38.460 -0.190 0.000 0.974 220 Y HN 0.305 nan 8.280 nan 0.000 0.511 221 D N -0.328 120.155 120.400 0.138 0.000 2.219 221 D HA -0.123 4.515 4.640 -0.003 0.000 0.205 221 D C 1.666 178.017 176.300 0.085 0.000 0.970 221 D CA 1.488 55.542 54.000 0.091 0.000 0.851 221 D CB 0.007 40.922 40.800 0.191 0.000 0.943 221 D HN 0.507 nan 8.370 nan 0.000 0.488 222 E N -0.998 119.309 120.200 0.179 0.000 2.251 222 E HA 0.134 4.483 4.350 -0.003 0.000 0.194 222 E C -0.028 176.711 176.600 0.232 0.000 0.964 222 E CA 0.076 56.605 56.400 0.215 0.000 0.868 222 E CB 0.415 30.305 29.700 0.317 0.000 0.828 222 E HN 0.072 nan 8.360 nan 0.000 0.481 223 F N 1.286 121.228 119.950 -0.014 0.000 2.971 223 F HA 0.290 4.815 4.527 -0.003 0.000 0.373 223 F C -2.307 173.451 175.800 -0.071 0.000 1.288 223 F CA -2.143 55.843 58.000 -0.023 0.000 1.204 223 F CB 1.617 40.635 39.000 0.030 0.000 1.852 223 F HN -0.128 nan 8.300 nan 0.000 0.624 224 P HA -0.157 nan 4.420 nan 0.000 0.226 224 P C 1.338 178.500 177.300 -0.230 0.000 1.153 224 P CA 1.041 63.847 63.100 -0.490 0.000 0.777 224 P CB 0.221 31.437 31.700 -0.808 0.000 0.794 225 E N 0.225 120.117 120.200 -0.512 0.000 2.070 225 E HA -0.222 4.127 4.350 -0.003 0.000 0.197 225 E C 2.060 178.652 176.600 -0.013 0.000 1.004 225 E CA 1.297 57.483 56.400 -0.357 0.000 0.805 225 E CB -0.494 28.814 29.700 -0.653 0.000 0.744 225 E HN 0.098 nan 8.360 nan 0.000 0.451 226 M N -0.326 119.367 119.600 0.156 0.000 2.080 226 M HA -0.228 4.251 4.480 -0.003 0.000 0.260 226 M C 2.221 178.681 176.300 0.267 0.000 1.068 226 M CA 1.909 57.434 55.300 0.375 0.000 1.109 226 M CB -0.318 32.506 32.600 0.374 0.000 1.342 226 M HN 0.292 nan 8.290 nan 0.000 0.405 227 Y N 1.243 121.633 120.300 0.150 0.000 2.114 227 Y HA -0.291 4.257 4.550 -0.002 0.000 0.284 227 Y C 1.979 177.951 175.900 0.119 0.000 1.143 227 Y CA 2.242 60.427 58.100 0.142 0.000 1.135 227 Y CB -0.554 38.042 38.460 0.226 0.000 0.980 227 Y HN 0.363 nan 8.280 nan 0.000 0.499 228 N N 0.460 119.288 118.700 0.213 0.000 2.132 228 N HA -0.223 4.516 4.740 -0.003 0.000 0.191 228 N C 1.839 177.332 175.510 -0.027 0.000 1.015 228 N CA 1.937 55.030 53.050 0.071 0.000 0.864 228 N CB -0.534 38.001 38.487 0.079 0.000 1.006 228 N HN 0.444 nan 8.380 nan 0.000 0.430 229 L N -0.377 120.846 121.223 -0.000 0.000 2.127 229 L HA 0.071 4.409 4.340 -0.003 0.000 0.203 229 L C 2.304 179.170 176.870 -0.006 0.000 1.080 229 L CA 0.842 55.673 54.840 -0.015 0.000 0.768 229 L CB -0.393 41.643 42.059 -0.039 0.000 0.924 229 L HN 0.107 nan 8.230 nan 0.000 0.444 230 A N 0.085 122.909 122.820 0.007 0.000 1.854 230 A HA -0.039 4.280 4.320 -0.003 0.000 0.214 230 A C 2.451 180.001 177.584 -0.058 0.000 1.192 230 A CA 1.424 53.459 52.037 -0.003 0.000 0.611 230 A CB -0.667 18.349 19.000 0.028 0.000 0.832 230 A HN 0.342 nan 8.150 nan 0.000 0.442 231 A N -0.428 122.268 122.820 -0.206 0.000 1.969 231 A HA 0.184 4.502 4.320 -0.003 0.000 0.218 231 A C 2.338 180.010 177.584 0.145 0.000 1.169 231 A CA 1.740 53.702 52.037 -0.125 0.000 0.635 231 A CB -1.285 17.296 19.000 -0.698 0.000 0.810 231 A HN 0.698 nan 8.150 nan 0.000 0.445 232 G N -0.348 108.446 108.800 -0.010 0.000 2.446 232 G HA2 -0.289 3.670 3.960 -0.003 0.000 0.217 232 G HA3 -0.289 3.670 3.960 -0.003 0.000 0.217 232 G C 1.763 176.723 174.900 0.101 0.000 1.168 232 G CA 1.084 46.211 45.100 0.045 0.000 0.771 232 G HN 0.553 nan 8.290 nan 0.000 0.551 233 R N -0.777 119.774 120.500 0.085 0.000 2.092 233 R HA -0.020 4.319 4.340 -0.003 0.000 0.231 233 R C 2.274 178.678 176.300 0.173 0.000 1.119 233 R CA 1.152 57.322 56.100 0.117 0.000 0.970 233 R CB -0.425 29.945 30.300 0.118 0.000 0.864 233 R HN 0.352 nan 8.270 nan 0.000 0.440 234 F N 0.580 120.494 119.950 -0.060 0.000 2.069 234 F HA -0.198 4.328 4.527 -0.002 0.000 0.298 234 F C 1.526 177.240 175.800 -0.143 0.000 1.113 234 F CA 1.662 59.548 58.000 -0.190 0.000 1.214 234 F CB -0.534 38.244 39.000 -0.370 0.000 0.978 234 F HN -0.053 nan 8.300 nan 0.000 0.474 235 F N 0.507 120.366 119.950 -0.151 0.000 2.186 235 F HA -0.071 4.455 4.527 -0.003 0.000 0.299 235 F C 2.350 178.037 175.800 -0.187 0.000 1.090 235 F CA 1.489 59.344 58.000 -0.240 0.000 1.307 235 F CB -0.512 38.453 39.000 -0.058 0.000 1.019 235 F HN -0.130 nan 8.300 nan 0.000 0.489 236 K N -0.363 120.078 120.400 0.068 0.000 2.167 236 K HA -0.067 4.251 4.320 -0.003 0.000 0.203 236 K C 1.532 178.105 176.600 -0.044 0.000 1.052 236 K CA 1.301 57.597 56.287 0.014 0.000 0.956 236 K CB 0.092 32.608 32.500 0.027 0.000 0.735 236 K HN 0.293 nan 8.250 nan 0.000 0.451 237 E N -1.917 118.260 120.200 -0.038 0.000 2.870 237 E HA 0.052 4.400 4.350 -0.003 0.000 0.185 237 E C 1.764 178.292 176.600 -0.120 0.000 1.084 237 E CA -0.049 56.311 56.400 -0.067 0.000 1.246 237 E CB -0.077 29.612 29.700 -0.018 0.000 1.382 237 E HN 0.151 nan 8.360 nan 0.000 0.492 238 H N 1.627 120.586 119.070 -0.186 0.000 2.289 238 H HA -0.128 4.427 4.556 -0.002 0.000 0.296 238 H C 2.152 177.266 175.328 -0.357 0.000 1.091 238 H CA 1.584 57.529 56.048 -0.171 0.000 1.274 238 H CB -0.218 29.529 29.762 -0.024 0.000 1.364 238 H HN 0.027 nan 8.280 nan 0.000 0.490 239 L N -0.028 120.795 121.223 -0.666 0.000 2.046 239 L HA -0.178 4.161 4.340 -0.003 0.000 0.208 239 L C 2.157 178.783 176.870 -0.407 0.000 1.077 239 L CA 1.043 55.408 54.840 -0.792 0.000 0.747 239 L CB -0.256 41.117 42.059 -1.143 0.000 0.896 239 L HN 0.193 nan 8.230 nan 0.000 0.432 240 V N 0.140 119.880 119.914 -0.291 0.000 2.287 240 V HA -0.322 3.797 4.120 -0.003 0.000 0.248 240 V C 2.773 178.789 176.094 -0.130 0.000 1.053 240 V CA 1.872 64.064 62.300 -0.179 0.000 1.027 240 V CB -1.051 30.681 31.823 -0.151 0.000 0.646 240 V HN 0.562 nan 8.190 nan 0.000 0.447 241 A N -0.253 122.496 122.820 -0.119 0.000 1.902 241 A HA -0.215 4.103 4.320 -0.003 0.000 0.217 241 A C 2.374 180.000 177.584 0.069 0.000 1.181 241 A CA 1.896 53.938 52.037 0.008 0.000 0.623 241 A CB -0.455 18.554 19.000 0.015 0.000 0.818 241 A HN 0.515 nan 8.150 nan 0.000 0.443 242 R N -0.466 119.915 120.500 -0.197 0.000 2.073 242 R HA -0.038 4.300 4.340 -0.003 0.000 0.229 242 R C 1.662 177.299 176.300 -1.105 0.000 1.120 242 R CA 1.262 56.885 56.100 -0.795 0.000 0.967 242 R CB -0.260 29.702 30.300 -0.563 0.000 0.862 242 R HN 0.445 nan 8.270 nan 0.000 0.436 243 N N -0.237 118.125 118.700 -0.564 0.000 2.443 243 N HA -0.188 4.551 4.740 -0.003 0.000 0.184 243 N C 1.070 176.494 175.510 -0.142 0.000 1.037 243 N CA 0.771 53.628 53.050 -0.321 0.000 0.896 243 N CB -0.162 38.228 38.487 -0.163 0.000 0.959 243 N HN 0.344 nan 8.380 nan 0.000 0.442 244 W N 1.238 122.365 121.300 -0.288 0.000 2.418 244 W HA -0.079 4.578 4.660 -0.004 0.000 0.292 244 W C 1.436 177.900 176.519 -0.091 0.000 1.213 244 W CA 0.885 58.136 57.345 -0.156 0.000 1.283 244 W CB -0.361 29.029 29.460 -0.118 0.000 1.119 244 W HN 0.081 nan 8.180 nan 0.000 0.542 245 F N -3.580 116.260 119.950 -0.183 0.000 2.704 245 F HA 0.259 4.784 4.527 -0.003 0.000 0.304 245 F C 1.421 177.204 175.800 -0.028 0.000 1.094 245 F CA -0.481 57.275 58.000 -0.408 0.000 1.275 245 F CB -1.447 37.288 39.000 -0.441 0.000 1.073 245 F HN -0.216 nan 8.300 nan 0.000 0.586 246 Y N 2.212 122.238 120.300 -0.456 0.000 2.165 246 Y HA -0.015 4.534 4.550 -0.003 0.000 0.286 246 Y C -0.468 175.388 175.900 -0.072 0.000 1.155 246 Y CA 0.580 58.549 58.100 -0.218 0.000 1.164 246 Y CB -2.345 36.014 38.460 -0.169 0.000 0.978 246 Y HN 0.110 nan 8.280 nan 0.000 0.513 247 P HA -0.121 nan 4.420 nan 0.000 0.218 247 P C 1.228 178.263 177.300 -0.443 0.000 1.146 247 P CA 2.046 65.057 63.100 -0.149 0.000 0.813 247 P CB -0.016 31.596 31.700 -0.146 0.000 0.778 248 S N -2.512 113.017 115.700 -0.286 0.000 2.597 248 S HA 0.060 4.529 4.470 -0.003 0.000 0.224 248 S C -0.046 174.445 174.600 -0.182 0.000 0.955 248 S CA -0.285 57.733 58.200 -0.305 0.000 0.933 248 S CB -1.159 61.951 63.200 -0.149 0.000 0.788 248 S HN 0.381 nan 8.310 nan 0.000 0.488 249 H N 1.116 120.188 119.070 0.003 0.000 2.677 249 H HA -0.140 4.415 4.556 -0.002 0.000 0.321 249 H C 0.073 175.322 175.328 -0.132 0.000 1.171 249 H CA 0.246 56.252 56.048 -0.071 0.000 1.139 249 H CB -1.291 28.420 29.762 -0.084 0.000 1.515 249 H HN 0.243 nan 8.280 nan 0.000 0.423 250 N N -0.685 117.993 118.700 -0.036 0.000 3.020 250 N HA 0.429 5.168 4.740 -0.003 0.000 0.248 250 N C -1.383 173.985 175.510 -0.238 0.000 1.480 250 N CA -0.616 52.238 53.050 -0.327 0.000 0.874 250 N CB 1.843 39.829 38.487 -0.834 0.000 1.433 250 N HN 0.115 nan 8.380 nan 0.000 0.530 251 Y N -0.482 119.549 120.300 -0.448 0.000 2.605 251 Y HA 0.296 4.845 4.550 -0.002 0.000 0.343 251 Y C 0.592 176.275 175.900 -0.363 0.000 1.036 251 Y CA -0.307 57.565 58.100 -0.381 0.000 1.065 251 Y CB 1.269 39.501 38.460 -0.380 0.000 1.288 251 Y HN 0.724 nan 8.280 nan 0.000 0.481 252 H N -2.206 116.740 119.070 -0.206 0.000 2.893 252 H HA 0.318 4.873 4.556 -0.002 0.000 0.270 252 H C 0.144 175.524 175.328 0.086 0.000 1.095 252 H CA -0.137 55.859 56.048 -0.088 0.000 1.186 252 H CB 0.456 29.814 29.762 -0.675 0.000 1.562 252 H HN 0.369 nan 8.280 nan 0.000 0.536 253 Q N 1.410 121.221 119.800 0.018 0.000 2.247 253 Q HA 0.309 4.647 4.340 -0.003 0.000 0.204 253 Q C 0.533 176.549 176.000 0.026 0.000 0.872 253 Q CA 0.534 56.406 55.803 0.115 0.000 0.951 253 Q CB 1.167 29.982 28.738 0.129 0.000 1.099 253 Q HN 0.723 nan 8.270 nan 0.000 0.501 254 G N 0.944 109.722 108.800 -0.036 0.000 2.712 254 G HA2 -0.209 3.750 3.960 -0.003 0.000 0.683 254 G HA3 -0.209 3.750 3.960 -0.003 0.000 0.683 254 G C 0.287 175.134 174.900 -0.087 0.000 1.320 254 G CA -0.388 44.644 45.100 -0.114 0.000 0.847 254 G HN 0.056 nan 8.290 nan 0.000 0.553 255 M N 0.387 119.947 119.600 -0.067 0.000 2.618 255 M HA 0.155 4.633 4.480 -0.003 0.000 0.240 255 M C 2.144 178.515 176.300 0.119 0.000 1.123 255 M CA 1.422 56.738 55.300 0.027 0.000 1.060 255 M CB -0.776 31.855 32.600 0.051 0.000 1.535 255 M HN 0.464 nan 8.290 nan 0.000 0.507 256 S N 0.435 116.135 115.700 -0.001 0.000 2.527 256 S HA 0.227 4.695 4.470 -0.003 0.000 0.225 256 S C 1.968 176.543 174.600 -0.042 0.000 1.046 256 S CA 0.593 58.783 58.200 -0.015 0.000 0.929 256 S CB -0.156 62.985 63.200 -0.099 0.000 0.851 256 S HN 0.483 nan 8.310 nan 0.000 0.565 257 A N 1.807 124.523 122.820 -0.173 0.000 2.131 257 A HA -0.065 4.253 4.320 -0.003 0.000 0.220 257 A C 2.000 179.516 177.584 -0.114 0.000 1.158 257 A CA 1.036 52.951 52.037 -0.202 0.000 0.665 257 A CB -0.752 18.041 19.000 -0.344 0.000 0.795 257 A HN 0.388 nan 8.150 nan 0.000 0.460 258 L N 0.403 121.574 121.223 -0.085 0.000 2.051 258 L HA -0.252 4.087 4.340 -0.003 0.000 0.214 258 L C 1.997 178.865 176.870 -0.004 0.000 1.076 258 L CA 2.324 57.084 54.840 -0.135 0.000 0.758 258 L CB -0.727 41.272 42.059 -0.099 0.000 0.890 258 L HN 0.391 nan 8.230 nan 0.000 0.433 259 N N -0.551 118.235 118.700 0.143 0.000 2.004 259 N HA -0.213 4.525 4.740 -0.003 0.000 0.196 259 N C 1.899 177.446 175.510 0.062 0.000 1.064 259 N CA 1.986 55.145 53.050 0.181 0.000 0.855 259 N CB -0.839 37.758 38.487 0.182 0.000 1.056 259 N HN 0.338 nan 8.380 nan 0.000 0.423 260 V N 2.192 122.123 119.914 0.028 0.000 2.295 260 V HA -0.189 3.930 4.120 -0.003 0.000 0.246 260 V C 2.441 178.409 176.094 -0.210 0.000 1.049 260 V CA 1.566 63.824 62.300 -0.071 0.000 1.024 260 V CB -0.185 31.647 31.823 0.015 0.000 0.648 260 V HN 0.271 nan 8.190 nan 0.000 0.447 261 R N -0.776 119.642 120.500 -0.136 0.000 2.070 261 R HA -0.117 4.222 4.340 -0.003 0.000 0.233 261 R C 2.065 178.289 176.300 -0.126 0.000 1.137 261 R CA 1.968 57.997 56.100 -0.119 0.000 0.945 261 R CB -1.490 28.756 30.300 -0.088 0.000 0.845 261 R HN 0.590 nan 8.270 nan 0.000 0.430 262 F N 2.041 121.723 119.950 -0.446 0.000 2.206 262 F HA -0.095 4.431 4.527 -0.002 0.000 0.298 262 F C 2.001 177.692 175.800 -0.181 0.000 1.090 262 F CA 1.245 59.008 58.000 -0.395 0.000 1.323 262 F CB -0.634 38.075 39.000 -0.486 0.000 1.028 262 F HN -0.028 nan 8.300 nan 0.000 0.492 263 T N 0.719 115.153 114.554 -0.201 0.000 2.699 263 T HA -0.241 4.108 4.350 -0.003 0.000 0.268 263 T C 1.867 176.478 174.700 -0.149 0.000 1.036 263 T CA 1.782 63.757 62.100 -0.209 0.000 1.147 263 T CB -0.349 68.457 68.868 -0.103 0.000 0.862 263 T HN 0.318 nan 8.240 nan 0.000 0.446 264 N N 0.770 119.340 118.700 -0.216 0.000 2.270 264 N HA -0.082 4.656 4.740 -0.003 0.000 0.181 264 N C 1.450 176.979 175.510 0.031 0.000 1.016 264 N CA 0.957 53.933 53.050 -0.122 0.000 0.870 264 N CB -0.261 38.045 38.487 -0.301 0.000 0.979 264 N HN 0.362 nan 8.380 nan 0.000 0.431 265 D N 1.267 121.682 120.400 0.024 0.000 2.133 265 D HA -0.120 4.519 4.640 -0.003 0.000 0.195 265 D C 2.031 178.231 176.300 -0.167 0.000 0.997 265 D CA 0.733 54.759 54.000 0.043 0.000 0.840 265 D CB -0.324 40.531 40.800 0.092 0.000 0.947 265 D HN 0.255 nan 8.370 nan 0.000 0.452 266 L N -0.906 120.129 121.223 -0.314 0.000 2.291 266 L HA -0.035 4.304 4.340 -0.003 0.000 0.214 266 L C 2.106 178.903 176.870 -0.122 0.000 1.120 266 L CA 0.296 54.946 54.840 -0.317 0.000 0.799 266 L CB -0.233 41.550 42.059 -0.460 0.000 0.925 266 L HN -0.050 nan 8.230 nan 0.000 0.446 267 F N 0.168 120.069 119.950 -0.082 0.000 2.113 267 F HA -0.176 4.350 4.527 -0.003 0.000 0.297 267 F C 2.624 178.438 175.800 0.024 0.000 1.103 267 F CA 1.313 59.316 58.000 0.004 0.000 1.248 267 F CB -0.429 38.550 39.000 -0.035 0.000 0.999 267 F HN -0.001 nan 8.300 nan 0.000 0.475 268 A N 0.254 123.171 122.820 0.160 0.000 1.908 268 A HA -0.198 4.121 4.320 -0.003 0.000 0.218 268 A C 2.259 179.876 177.584 0.054 0.000 1.181 268 A CA 1.495 53.518 52.037 -0.023 0.000 0.627 268 A CB -1.109 17.736 19.000 -0.259 0.000 0.818 268 A HN 0.426 nan 8.150 nan 0.000 0.445 269 L N -1.766 119.550 121.223 0.155 0.000 1.990 269 L HA -0.225 4.114 4.340 -0.003 0.000 0.213 269 L C 2.402 179.074 176.870 -0.329 0.000 1.072 269 L CA 2.398 57.217 54.840 -0.036 0.000 0.755 269 L CB -0.785 41.109 42.059 -0.274 0.000 0.889 269 L HN 0.676 nan 8.230 nan 0.000 0.432 270 W N 0.175 121.199 121.300 -0.460 0.000 2.381 270 W HA -0.139 4.519 4.660 -0.003 0.000 0.301 270 W C 2.563 178.863 176.519 -0.364 0.000 1.205 270 W CA 0.967 57.904 57.345 -0.679 0.000 1.285 270 W CB -0.256 28.344 29.460 -1.433 0.000 1.133 270 W HN 0.086 nan 8.180 nan 0.000 0.521 271 I N -0.217 120.441 120.570 0.147 0.000 2.179 271 I HA -0.329 3.839 4.170 -0.003 0.000 0.242 271 I C 2.106 178.327 176.117 0.175 0.000 1.088 271 I CA 1.353 62.849 61.300 0.327 0.000 1.357 271 I CB -0.703 37.523 38.000 0.378 0.000 1.051 271 I HN -0.055 nan 8.210 nan 0.000 0.409 272 L N -0.061 121.210 121.223 0.080 0.000 2.156 272 L HA -0.180 4.159 4.340 -0.003 0.000 0.208 272 L C 2.357 179.268 176.870 0.068 0.000 1.095 272 L CA 0.993 55.880 54.840 0.078 0.000 0.770 272 L CB -0.633 41.481 42.059 0.091 0.000 0.914 272 L HN 0.359 nan 8.230 nan 0.000 0.439 273 D N 0.426 120.834 120.400 0.013 0.000 2.084 273 D HA -0.206 4.432 4.640 -0.003 0.000 0.194 273 D C 2.131 178.450 176.300 0.032 0.000 0.990 273 D CA 1.148 55.149 54.000 0.002 0.000 0.826 273 D CB 0.183 40.929 40.800 -0.090 0.000 0.971 273 D HN 0.078 nan 8.370 nan 0.000 0.453 274 R N 0.330 120.870 120.500 0.066 0.000 2.193 274 R HA -0.064 4.274 4.340 -0.003 0.000 0.229 274 R C 2.213 178.589 176.300 0.126 0.000 1.110 274 R CA 0.294 56.483 56.100 0.149 0.000 0.988 274 R CB -0.836 29.659 30.300 0.324 0.000 0.871 274 R HN 0.445 nan 8.270 nan 0.000 0.458 275 M N -0.786 118.871 119.600 0.094 0.000 2.229 275 M HA -0.065 4.413 4.480 -0.003 0.000 0.264 275 M C 0.503 176.797 176.300 -0.010 0.000 1.063 275 M CA 2.015 57.330 55.300 0.025 0.000 1.114 275 M CB 0.274 32.868 32.600 -0.010 0.000 1.387 275 M HN 0.322 nan 8.290 nan 0.000 0.420 276 G N -1.106 107.705 108.800 0.019 0.000 2.155 276 G HA2 -0.081 3.878 3.960 -0.003 0.000 0.130 276 G HA3 -0.081 3.878 3.960 -0.003 0.000 0.130 276 G C 0.360 175.301 174.900 0.067 0.000 1.027 276 G CA 0.110 45.224 45.100 0.023 0.000 0.705 276 G HN 0.604 nan 8.290 nan 0.000 0.496 277 A N 0.006 122.886 122.820 0.101 0.000 2.387 277 A HA 0.684 5.003 4.320 -0.003 0.000 0.234 277 A C 2.082 179.855 177.584 0.315 0.000 1.253 277 A CA 1.510 53.692 52.037 0.242 0.000 0.894 277 A CB -0.330 18.764 19.000 0.156 0.000 0.963 277 A HN 2.455 nan 8.150 nan 0.000 0.508 278 G N 0.513 109.418 108.800 0.174 0.000 2.601 278 G HA2 -0.280 3.679 3.960 -0.003 0.000 0.252 278 G HA3 -0.280 3.679 3.960 -0.003 0.000 0.252 278 G C -0.145 174.844 174.900 0.147 0.000 1.294 278 G CA 0.003 45.184 45.100 0.134 0.000 0.912 278 G HN 0.782 nan 8.290 nan 0.000 0.574 279 N N 0.568 119.354 118.700 0.144 0.000 2.414 279 N HA 0.365 5.103 4.740 -0.003 0.000 0.256 279 N C 1.455 177.067 175.510 0.170 0.000 1.029 279 N CA 0.305 53.441 53.050 0.142 0.000 0.948 279 N CB 1.403 39.996 38.487 0.176 0.000 1.102 279 N HN 1.332 nan 8.380 nan 0.000 0.496 280 V N 1.488 121.503 119.914 0.168 0.000 3.506 280 V HA 0.400 4.519 4.120 -0.003 0.000 0.263 280 V C 0.514 176.580 176.094 -0.048 0.000 1.203 280 V CA 0.353 62.730 62.300 0.128 0.000 1.133 280 V CB -0.934 30.986 31.823 0.161 0.000 0.802 280 V HN 0.256 nan 8.190 nan 0.000 0.459 281 F N 1.769 121.795 119.950 0.126 0.000 2.370 281 F HA 0.396 4.921 4.527 -0.003 0.000 0.324 281 F C 0.933 176.831 175.800 0.163 0.000 1.116 281 F CA -0.824 57.257 58.000 0.135 0.000 1.123 281 F CB 0.365 39.521 39.000 0.259 0.000 1.238 281 F HN -0.020 nan 8.300 nan 0.000 0.536 282 N N 3.254 122.179 118.700 0.376 0.000 2.411 282 N HA -0.016 4.722 4.740 -0.003 0.000 0.261 282 N C -1.940 173.793 175.510 0.372 0.000 1.248 282 N CA -0.817 52.417 53.050 0.306 0.000 0.885 282 N CB 1.128 39.765 38.487 0.250 0.000 1.062 282 N HN 0.200 nan 8.380 nan 0.000 0.471 283 P HA -0.051 nan 4.420 nan 0.000 0.223 283 P C 1.084 178.446 177.300 0.104 0.000 1.144 283 P CA 0.783 64.039 63.100 0.259 0.000 0.783 283 P CB -0.039 31.805 31.700 0.240 0.000 0.771 284 G N 0.173 109.095 108.800 0.203 0.000 2.501 284 G HA2 -0.311 3.648 3.960 -0.003 0.000 0.220 284 G HA3 -0.311 3.648 3.960 -0.003 0.000 0.220 284 G C 1.524 176.426 174.900 0.005 0.000 1.114 284 G CA 0.374 45.641 45.100 0.277 0.000 0.757 284 G HN 0.335 nan 8.290 nan 0.000 0.559 285 Q N -0.210 119.489 119.800 -0.169 0.000 2.248 285 Q HA -0.229 4.109 4.340 -0.003 0.000 0.208 285 Q C 2.397 178.068 176.000 -0.549 0.000 0.984 285 Q CA 1.649 57.166 55.803 -0.477 0.000 0.875 285 Q CB -0.195 28.436 28.738 -0.178 0.000 0.910 285 Q HN 0.729 nan 8.270 nan 0.000 0.433 286 Q N -0.649 118.541 119.800 -1.016 0.000 2.170 286 Q HA -0.160 4.178 4.340 -0.003 0.000 0.203 286 Q C 0.702 176.134 176.000 -0.947 0.000 0.976 286 Q CA 1.402 56.388 55.803 -1.362 0.000 0.858 286 Q CB 0.043 27.657 28.738 -1.873 0.000 0.907 286 Q HN 0.506 nan 8.270 nan 0.000 0.433 287 F N -0.908 118.720 119.950 -0.535 0.000 2.695 287 F HA 0.217 4.743 4.527 -0.002 0.000 0.303 287 F C 1.476 177.085 175.800 -0.319 0.000 1.091 287 F CA -0.320 57.267 58.000 -0.689 0.000 1.300 287 F CB 0.228 38.424 39.000 -1.339 0.000 1.071 287 F HN 0.004 nan 8.300 nan 0.000 0.578 288 I N -0.119 120.353 120.570 -0.163 0.000 2.208 288 I HA -0.293 3.876 4.170 -0.003 0.000 0.245 288 I C 2.268 178.287 176.117 -0.163 0.000 1.097 288 I CA 1.249 62.410 61.300 -0.232 0.000 1.363 288 I CB -0.237 37.382 38.000 -0.636 0.000 1.051 288 I HN 0.152 nan 8.210 nan 0.000 0.413 289 L N -0.440 120.754 121.223 -0.048 0.000 2.465 289 L HA -0.155 4.183 4.340 -0.003 0.000 0.224 289 L C 2.035 178.968 176.870 0.106 0.000 1.145 289 L CA 1.420 56.262 54.840 0.004 0.000 0.834 289 L CB -0.711 41.425 42.059 0.129 0.000 0.944 289 L HN 0.145 nan 8.230 nan 0.000 0.451 290 Y N -0.464 119.837 120.300 0.002 0.000 2.241 290 Y HA -0.307 4.242 4.550 -0.003 0.000 0.286 290 Y C 2.410 178.410 175.900 0.165 0.000 1.166 290 Y CA 1.631 59.792 58.100 0.102 0.000 1.203 290 Y CB -0.673 37.868 38.460 0.134 0.000 0.977 290 Y HN 0.363 nan 8.280 nan 0.000 0.529 291 D N -0.619 119.895 120.400 0.190 0.000 2.104 291 D HA -0.196 4.443 4.640 -0.003 0.000 0.194 291 D C 2.267 178.608 176.300 0.069 0.000 0.994 291 D CA 1.427 55.486 54.000 0.098 0.000 0.830 291 D CB -0.206 40.578 40.800 -0.027 0.000 0.959 291 D HN 0.238 nan 8.370 nan 0.000 0.452 292 A N 0.135 122.916 122.820 -0.065 0.000 1.940 292 A HA -0.142 4.177 4.320 -0.003 0.000 0.219 292 A C 2.388 179.996 177.584 0.040 0.000 1.176 292 A CA 1.200 53.150 52.037 -0.144 0.000 0.631 292 A CB -0.798 17.868 19.000 -0.556 0.000 0.814 292 A HN 0.397 nan 8.150 nan 0.000 0.446 293 I N -2.223 118.390 120.570 0.072 0.000 2.226 293 I HA -0.274 3.895 4.170 -0.003 0.000 0.245 293 I C 2.314 178.550 176.117 0.198 0.000 1.100 293 I CA 1.501 62.850 61.300 0.082 0.000 1.374 293 I CB -0.490 37.459 38.000 -0.085 0.000 1.057 293 I HN 0.373 nan 8.210 nan 0.000 0.413 294 Y N 1.144 121.563 120.300 0.198 0.000 2.352 294 Y HA -0.153 4.396 4.550 -0.002 0.000 0.292 294 Y C 2.222 178.157 175.900 0.058 0.000 1.136 294 Y CA 1.332 59.562 58.100 0.217 0.000 1.227 294 Y CB -0.176 38.354 38.460 0.117 0.000 0.991 294 Y HN 0.059 nan 8.280 nan 0.000 0.545 295 K N 0.008 120.505 120.400 0.162 0.000 2.404 295 K HA 0.026 4.344 4.320 -0.003 0.000 0.194 295 K C 0.503 177.117 176.600 0.024 0.000 1.023 295 K CA -0.229 56.091 56.287 0.054 0.000 1.094 295 K CB 0.226 32.741 32.500 0.026 0.000 0.841 295 K HN -0.105 nan 8.250 nan 0.000 0.523 296 R N 2.200 122.745 120.500 0.075 0.000 2.449 296 R HA 0.048 4.386 4.340 -0.003 0.000 0.296 296 R C -0.598 175.684 176.300 -0.029 0.000 1.047 296 R CA 0.249 56.382 56.100 0.056 0.000 1.018 296 R CB 0.195 30.572 30.300 0.128 0.000 0.962 296 R HN -0.060 nan 8.270 nan 0.000 0.428 297 R N 5.452 125.874 120.500 -0.130 0.000 2.583 297 R HA 0.272 4.611 4.340 -0.003 0.000 0.268 297 R C -1.473 174.788 176.300 -0.064 0.000 1.101 297 R CA -1.376 54.572 56.100 -0.253 0.000 1.180 297 R CB 0.276 30.258 30.300 -0.530 0.000 1.128 297 R HN 0.560 nan 8.270 nan 0.000 0.568 298 P HA -0.048 nan 4.420 nan 0.000 0.245 298 P C -0.490 176.847 177.300 0.061 0.000 1.212 298 P CA 0.849 63.987 63.100 0.065 0.000 0.774 298 P CB 0.217 31.979 31.700 0.102 0.000 0.999 299 D N -1.663 118.764 120.400 0.046 0.000 2.395 299 D HA 0.158 4.797 4.640 -0.003 0.000 0.213 299 D C 1.393 177.703 176.300 0.016 0.000 1.110 299 D CA 0.076 54.106 54.000 0.050 0.000 0.835 299 D CB -0.480 40.374 40.800 0.089 0.000 0.965 299 D HN 0.180 nan 8.370 nan 0.000 0.505 300 G N -0.184 108.615 108.800 -0.002 0.000 2.217 300 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.246 300 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.246 300 G C 0.291 175.142 174.900 -0.081 0.000 0.990 300 G CA 0.044 45.119 45.100 -0.040 0.000 0.627 300 G HN 0.383 nan 8.290 nan 0.000 0.522 301 Q N 0.115 119.884 119.800 -0.051 0.000 2.185 301 Q HA 0.713 5.052 4.340 -0.003 0.000 0.225 301 Q C 0.629 176.607 176.000 -0.036 0.000 0.983 301 Q CA -0.450 55.328 55.803 -0.043 0.000 0.950 301 Q CB 1.128 29.872 28.738 0.010 0.000 1.176 301 Q HN 0.386 nan 8.270 nan 0.000 0.510 302 I N 1.066 121.639 120.570 0.005 0.000 2.648 302 I HA 0.244 4.412 4.170 -0.003 0.000 0.304 302 I C 0.230 176.360 176.117 0.021 0.000 1.009 302 I CA -1.172 60.148 61.300 0.033 0.000 1.114 302 I CB 1.069 39.146 38.000 0.128 0.000 1.293 302 I HN 0.461 nan 8.210 nan 0.000 0.449 303 L N 3.559 124.776 121.223 -0.010 0.000 2.506 303 L HA 0.226 4.564 4.340 -0.003 0.000 0.281 303 L C 0.751 177.651 176.870 0.051 0.000 1.228 303 L CA 0.469 55.313 54.840 0.007 0.000 0.850 303 L CB 0.552 42.599 42.059 -0.019 0.000 1.110 303 L HN 0.820 nan 8.230 nan 0.000 0.496 304 A N 2.800 125.683 122.820 0.104 0.000 2.327 304 A HA 0.670 4.989 4.320 -0.003 0.000 0.255 304 A C 0.292 177.881 177.584 0.009 0.000 1.099 304 A CA 0.292 52.407 52.037 0.130 0.000 0.801 304 A CB 0.014 19.175 19.000 0.268 0.000 1.062 304 A HN 1.287 nan 8.150 nan 0.000 0.496 305 G N -1.253 107.523 108.800 -0.041 0.000 1.950 305 G HA2 0.638 4.597 3.960 -0.003 0.000 0.231 305 G HA3 0.638 4.597 3.960 -0.003 0.000 0.231 305 G C 0.267 174.991 174.900 -0.292 0.000 1.685 305 G CA 0.408 45.396 45.100 -0.185 0.000 0.922 305 G HN 2.671 nan 8.290 nan 0.000 0.717 306 G N 1.872 110.313 108.800 -0.599 0.000 2.645 306 G HA2 -0.008 3.950 3.960 -0.003 0.000 0.246 306 G HA3 -0.008 3.950 3.960 -0.003 0.000 0.246 306 G C -0.226 174.285 174.900 -0.649 0.000 1.322 306 G CA 0.124 44.686 45.100 -0.897 0.000 0.898 306 G HN 1.122 nan 8.290 nan 0.000 0.573 307 D N 1.172 121.452 120.400 -0.201 0.000 2.389 307 D HA 0.404 5.042 4.640 -0.003 0.000 0.263 307 D C 0.783 177.030 176.300 -0.087 0.000 1.255 307 D CA 1.287 55.321 54.000 0.057 0.000 0.914 307 D CB 0.614 41.276 40.800 -0.230 0.000 1.116 307 D HN 1.330 nan 8.370 nan 0.000 0.502 308 V N -0.071 119.951 119.914 0.181 0.000 3.087 308 V HA 0.580 4.699 4.120 -0.003 0.000 0.306 308 V C -0.596 175.365 176.094 -0.221 0.000 1.187 308 V CA -1.047 61.225 62.300 -0.046 0.000 0.999 308 V CB 2.927 34.699 31.823 -0.086 0.000 1.049 308 V HN 0.111 nan 8.190 nan 0.000 0.431 309 D N 0.408 120.614 120.400 -0.324 0.000 2.506 309 D HA 0.683 5.322 4.640 -0.003 0.000 0.254 309 D C -1.435 174.458 176.300 -0.678 0.000 1.089 309 D CA 0.027 53.728 54.000 -0.499 0.000 1.050 309 D CB 1.994 42.730 40.800 -0.106 0.000 1.221 309 D HN 0.699 nan 8.370 nan 0.000 0.589 310 Y N -0.703 119.642 120.300 0.074 0.000 2.512 310 Y HA 0.528 5.076 4.550 -0.003 0.000 0.348 310 Y C 0.172 176.098 175.900 0.045 0.000 0.990 310 Y CA -0.817 57.321 58.100 0.062 0.000 1.033 310 Y CB 2.207 40.713 38.460 0.076 0.000 1.259 310 Y HN 0.128 nan 8.280 nan 0.000 0.461 311 S N 0.926 116.734 115.700 0.181 0.000 2.570 311 S HA 0.598 5.066 4.470 -0.003 0.000 0.270 311 S C -0.577 174.074 174.600 0.084 0.000 1.149 311 S CA -0.806 57.457 58.200 0.105 0.000 0.837 311 S CB 1.427 64.660 63.200 0.055 0.000 1.124 311 S HN 0.730 nan 8.310 nan 0.000 0.465 312 R N 1.432 121.968 120.500 0.062 0.000 2.572 312 R HA 0.300 4.638 4.340 -0.003 0.000 0.370 312 R C 0.685 177.003 176.300 0.030 0.000 1.005 312 R CA -0.107 56.021 56.100 0.047 0.000 1.146 312 R CB 0.255 30.587 30.300 0.053 0.000 1.390 312 R HN 0.582 nan 8.270 nan 0.000 0.553 313 K N 0.224 120.639 120.400 0.024 0.000 2.202 313 K HA 0.115 4.433 4.320 -0.003 0.000 0.201 313 K C 0.624 177.230 176.600 0.009 0.000 1.051 313 K CA 0.646 56.945 56.287 0.019 0.000 0.977 313 K CB 0.767 33.281 32.500 0.024 0.000 0.792 313 K HN -0.173 nan 8.250 nan 0.000 0.469 314 K N 1.295 121.689 120.400 -0.010 0.000 2.498 314 K HA 0.294 4.613 4.320 -0.003 0.000 0.254 314 K C -2.893 173.633 176.600 -0.124 0.000 0.933 314 K CA -2.157 54.111 56.287 -0.032 0.000 0.806 314 K CB 2.014 34.512 32.500 -0.003 0.000 1.301 314 K HN -0.284 nan 8.250 nan 0.000 0.432 315 P HA -0.028 nan 4.420 nan 0.000 0.269 315 P C -1.328 175.532 177.300 -0.733 0.000 1.211 315 P CA -0.131 62.718 63.100 -0.419 0.000 0.781 315 P CB 0.457 31.886 31.700 -0.451 0.000 0.877 316 K N 1.917 121.950 120.400 -0.612 0.000 2.172 316 K HA 0.370 4.688 4.320 -0.003 0.000 0.276 316 K C -1.380 174.804 176.600 -0.692 0.000 1.013 316 K CA -0.188 55.764 56.287 -0.557 0.000 0.913 316 K CB 0.182 32.498 32.500 -0.306 0.000 1.055 316 K HN 0.366 nan 8.250 nan 0.000 0.461 317 Y N 2.656 122.792 120.300 -0.273 0.000 2.499 317 Y HA 0.326 4.875 4.550 -0.002 0.000 0.347 317 Y C -0.805 174.847 175.900 -0.412 0.000 0.987 317 Y CA -0.982 56.982 58.100 -0.226 0.000 1.044 317 Y CB 1.718 40.121 38.460 -0.096 0.000 1.245 317 Y HN 0.462 nan 8.280 nan 0.000 0.461 318 Y N 0.879 121.327 120.300 0.247 0.000 2.602 318 Y HA 0.159 4.707 4.550 -0.002 0.000 0.373 318 Y C 1.276 177.296 175.900 0.200 0.000 0.960 318 Y CA -0.519 57.693 58.100 0.187 0.000 1.281 318 Y CB 0.481 39.033 38.460 0.154 0.000 1.308 318 Y HN 0.695 nan 8.280 nan 0.000 0.595 319 T N -0.232 114.486 114.554 0.272 0.000 2.622 319 T HA -0.263 4.085 4.350 -0.003 0.000 0.266 319 T C 2.038 176.943 174.700 0.341 0.000 1.047 319 T CA 1.742 64.016 62.100 0.290 0.000 1.159 319 T CB -0.068 68.901 68.868 0.169 0.000 0.863 319 T HN 0.427 nan 8.240 nan 0.000 0.422 320 M N 1.451 121.192 119.600 0.236 0.000 2.099 320 M HA 0.050 4.529 4.480 -0.003 0.000 0.262 320 M C -1.239 175.098 176.300 0.061 0.000 1.067 320 M CA 1.261 56.645 55.300 0.139 0.000 1.124 320 M CB -1.063 31.629 32.600 0.155 0.000 1.353 320 M HN 0.063 nan 8.290 nan 0.000 0.410 321 P HA -0.055 nan 4.420 nan 0.000 0.217 321 P C 1.046 178.393 177.300 0.078 0.000 1.150 321 P CA 2.026 65.141 63.100 0.025 0.000 0.832 321 P CB -0.326 31.478 31.700 0.173 0.000 0.787 322 A N -0.715 122.212 122.820 0.180 0.000 1.930 322 A HA -0.163 4.156 4.320 -0.003 0.000 0.217 322 A C 2.106 179.736 177.584 0.076 0.000 1.175 322 A CA 1.330 53.484 52.037 0.195 0.000 0.627 322 A CB -1.619 17.563 19.000 0.303 0.000 0.815 322 A HN 0.145 nan 8.150 nan 0.000 0.443 323 L N -0.025 121.161 121.223 -0.062 0.000 1.976 323 L HA -0.120 4.219 4.340 -0.003 0.000 0.209 323 L C 2.327 179.076 176.870 -0.200 0.000 1.071 323 L CA 1.916 56.495 54.840 -0.436 0.000 0.746 323 L CB -0.625 41.071 42.059 -0.604 0.000 0.890 323 L HN 0.406 nan 8.230 nan 0.000 0.432 324 L N -0.704 120.440 121.223 -0.131 0.000 2.056 324 L HA -0.123 4.215 4.340 -0.003 0.000 0.207 324 L C 2.653 179.688 176.870 0.274 0.000 1.078 324 L CA 1.166 56.007 54.840 0.001 0.000 0.749 324 L CB -1.053 40.906 42.059 -0.167 0.000 0.901 324 L HN 0.381 nan 8.230 nan 0.000 0.433 325 A N 0.392 123.290 122.820 0.130 0.000 1.897 325 A HA -0.043 4.275 4.320 -0.003 0.000 0.215 325 A C 2.411 180.181 177.584 0.310 0.000 1.181 325 A CA 1.508 53.692 52.037 0.245 0.000 0.620 325 A CB -1.193 17.899 19.000 0.155 0.000 0.821 325 A HN 0.413 nan 8.150 nan 0.000 0.443 326 G N -0.879 108.037 108.800 0.192 0.000 2.418 326 G HA2 -0.112 3.847 3.960 -0.003 0.000 0.217 326 G HA3 -0.112 3.847 3.960 -0.003 0.000 0.217 326 G C 1.786 176.781 174.900 0.158 0.000 1.158 326 G CA 1.303 46.502 45.100 0.165 0.000 0.771 326 G HN 0.477 nan 8.290 nan 0.000 0.545 327 S N -0.900 114.896 115.700 0.160 0.000 2.436 327 S HA 0.006 4.475 4.470 -0.003 0.000 0.228 327 S C 1.852 176.625 174.600 0.288 0.000 1.014 327 S CA 0.536 58.850 58.200 0.190 0.000 0.950 327 S CB -0.243 63.042 63.200 0.142 0.000 0.784 327 S HN 0.518 nan 8.310 nan 0.000 0.504 328 Y N 0.596 121.010 120.300 0.189 0.000 2.206 328 Y HA -0.037 4.511 4.550 -0.002 0.000 0.292 328 Y C 1.393 177.066 175.900 -0.377 0.000 1.123 328 Y CA 1.329 59.252 58.100 -0.294 0.000 1.142 328 Y CB -0.125 37.871 38.460 -0.774 0.000 1.006 328 Y HN 0.224 nan 8.280 nan 0.000 0.518 329 Y N 0.754 121.103 120.300 0.082 0.000 2.490 329 Y HA 0.127 4.675 4.550 -0.002 0.000 0.281 329 Y C 0.335 176.211 175.900 -0.041 0.000 1.174 329 Y CA -0.076 58.017 58.100 -0.012 0.000 1.295 329 Y CB 0.045 38.493 38.460 -0.021 0.000 1.062 329 Y HN -0.119 nan 8.280 nan 0.000 0.522 330 K N 1.111 121.561 120.400 0.083 0.000 3.148 330 K HA -0.246 4.072 4.320 -0.003 0.000 0.267 330 K C -0.958 175.695 176.600 0.089 0.000 0.996 330 K CA 0.718 57.038 56.287 0.055 0.000 0.737 330 K CB -1.649 30.854 32.500 0.004 0.000 1.308 330 K HN 0.433 nan 8.250 nan 0.000 0.470 331 D N 0.958 121.434 120.400 0.126 0.000 2.329 331 D HA 0.145 4.784 4.640 -0.003 0.000 0.232 331 D C 0.778 177.138 176.300 0.101 0.000 1.088 331 D CA -0.250 53.836 54.000 0.144 0.000 0.835 331 D CB 0.718 41.632 40.800 0.189 0.000 1.078 331 D HN 0.188 nan 8.370 nan 0.000 0.495 332 E N 2.520 122.731 120.200 0.019 0.000 2.152 332 E HA -0.155 4.193 4.350 -0.003 0.000 0.192 332 E C 1.070 177.610 176.600 -0.099 0.000 0.983 332 E CA 0.765 57.119 56.400 -0.077 0.000 0.818 332 E CB 0.189 29.768 29.700 -0.201 0.000 0.758 332 E HN 0.635 nan 8.360 nan 0.000 0.467 333 Y N 0.827 121.122 120.300 -0.008 0.000 2.200 333 Y HA -0.166 4.383 4.550 -0.002 0.000 0.290 333 Y C 2.218 178.093 175.900 -0.042 0.000 1.137 333 Y CA 0.781 58.809 58.100 -0.121 0.000 1.163 333 Y CB -0.071 38.181 38.460 -0.346 0.000 0.988 333 Y HN -0.006 nan 8.280 nan 0.000 0.518 334 L N -0.342 120.971 121.223 0.149 0.000 2.156 334 L HA -0.185 4.154 4.340 -0.003 0.000 0.208 334 L C 2.328 179.314 176.870 0.193 0.000 1.095 334 L CA 0.983 55.916 54.840 0.154 0.000 0.770 334 L CB -0.563 41.593 42.059 0.162 0.000 0.914 334 L HN 0.341 nan 8.230 nan 0.000 0.439 335 N N 0.192 118.997 118.700 0.174 0.000 2.188 335 N HA -0.259 4.480 4.740 -0.003 0.000 0.184 335 N C 2.018 177.659 175.510 0.219 0.000 1.018 335 N CA 1.265 54.432 53.050 0.195 0.000 0.858 335 N CB -0.017 38.550 38.487 0.133 0.000 0.989 335 N HN 0.307 nan 8.380 nan 0.000 0.426 336 Y N 1.790 122.125 120.300 0.058 0.000 2.165 336 Y HA -0.229 4.320 4.550 -0.003 0.000 0.286 336 Y C 2.488 178.419 175.900 0.052 0.000 1.155 336 Y CA 2.054 60.169 58.100 0.026 0.000 1.164 336 Y CB -0.298 38.149 38.460 -0.021 0.000 0.978 336 Y HN 0.081 nan 8.280 nan 0.000 0.513 337 E N 0.006 120.341 120.200 0.225 0.000 2.058 337 E HA -0.264 4.084 4.350 -0.003 0.000 0.194 337 E C 2.014 178.678 176.600 0.106 0.000 0.997 337 E CA 1.769 58.275 56.400 0.177 0.000 0.801 337 E CB -0.885 28.952 29.700 0.229 0.000 0.746 337 E HN 0.527 nan 8.360 nan 0.000 0.450 338 F N 0.574 120.533 119.950 0.015 0.000 2.134 338 F HA -0.093 4.432 4.527 -0.003 0.000 0.299 338 F C 1.741 177.471 175.800 -0.115 0.000 1.097 338 F CA 1.339 59.324 58.000 -0.026 0.000 1.264 338 F CB -0.229 38.772 39.000 0.001 0.000 1.001 338 F HN 0.037 nan 8.300 nan 0.000 0.479 339 L N 0.116 121.173 121.223 -0.277 0.000 2.456 339 L HA -0.155 4.184 4.340 -0.003 0.000 0.224 339 L C 2.180 178.764 176.870 -0.477 0.000 1.148 339 L CA 0.892 55.477 54.840 -0.424 0.000 0.825 339 L CB -0.622 41.312 42.059 -0.207 0.000 0.937 339 L HN 0.144 nan 8.230 nan 0.000 0.450 340 K N -0.222 119.898 120.400 -0.466 0.000 2.097 340 K HA -0.143 4.176 4.320 -0.003 0.000 0.206 340 K C 0.308 176.556 176.600 -0.588 0.000 1.049 340 K CA 1.081 57.111 56.287 -0.428 0.000 0.933 340 K CB 0.030 32.384 32.500 -0.242 0.000 0.717 340 K HN 0.047 nan 8.250 nan 0.000 0.442 341 D N -0.723 119.213 120.400 -0.774 0.000 2.472 341 D HA 0.097 4.735 4.640 -0.003 0.000 0.248 341 D C -2.668 173.204 176.300 -0.712 0.000 1.271 341 D CA -1.897 51.623 54.000 -0.800 0.000 0.888 341 D CB 1.037 41.054 40.800 -1.305 0.000 1.337 341 D HN -0.145 nan 8.370 nan 0.000 0.526 342 P HA 0.211 nan 4.420 nan 0.000 0.225 342 P C -0.858 176.223 177.300 -0.364 0.000 1.768 342 P CA -0.274 62.234 63.100 -0.985 0.000 0.943 342 P CB -0.223 31.028 31.700 -0.748 0.000 1.936 343 N N 1.101 119.655 118.700 -0.243 0.000 2.623 343 N HA 0.168 4.907 4.740 -0.003 0.000 0.256 343 N C -0.148 175.366 175.510 0.006 0.000 1.045 343 N CA -0.438 52.562 53.050 -0.084 0.000 0.863 343 N CB 2.629 41.054 38.487 -0.103 0.000 1.182 343 N HN 0.028 nan 8.380 nan 0.000 0.523 344 V N -0.485 119.467 119.914 0.064 0.000 2.904 344 V HA 0.415 4.534 4.120 -0.003 0.000 0.305 344 V C 0.708 176.823 176.094 0.035 0.000 1.067 344 V CA -0.680 61.666 62.300 0.076 0.000 1.044 344 V CB 1.197 33.072 31.823 0.086 0.000 1.050 344 V HN 0.485 nan 8.190 nan 0.000 0.475 345 E N 4.189 124.413 120.200 0.041 0.000 2.442 345 E HA 0.114 4.462 4.350 -0.003 0.000 0.262 345 E C -1.690 174.903 176.600 -0.012 0.000 1.004 345 E CA -0.803 55.633 56.400 0.061 0.000 0.928 345 E CB 1.073 30.861 29.700 0.146 0.000 0.937 345 E HN 0.665 nan 8.360 nan 0.000 0.446 346 P HA -0.244 nan 4.420 nan 0.000 0.217 346 P C 0.567 177.859 177.300 -0.014 0.000 1.158 346 P CA 1.966 65.063 63.100 -0.005 0.000 0.887 346 P CB -0.096 31.603 31.700 -0.001 0.000 0.792 347 H N -3.076 115.950 119.070 -0.073 0.000 2.545 347 H HA 0.043 4.597 4.556 -0.003 0.000 0.282 347 H C 0.883 176.196 175.328 -0.026 0.000 1.020 347 H CA 0.871 56.861 56.048 -0.096 0.000 1.243 347 H CB -1.101 28.532 29.762 -0.216 0.000 1.377 347 H HN 0.086 nan 8.280 nan 0.000 0.581 348 C N 0.741 119.778 119.300 -0.438 0.000 3.038 348 C HA 0.210 4.669 4.460 -0.003 0.000 0.279 348 C C 2.020 176.997 174.990 -0.022 0.000 1.276 348 C CA -0.549 58.377 59.018 -0.152 0.000 1.697 348 C CB -0.059 27.544 27.740 -0.228 0.000 2.032 348 C HN 0.494 nan 8.230 nan 0.000 0.636 349 K N 1.379 121.732 120.400 -0.077 0.000 2.063 349 K HA -0.122 4.196 4.320 -0.003 0.000 0.208 349 K C 1.820 178.366 176.600 -0.090 0.000 1.048 349 K CA 1.041 57.292 56.287 -0.061 0.000 0.928 349 K CB -0.571 31.883 32.500 -0.078 0.000 0.713 349 K HN 0.426 nan 8.250 nan 0.000 0.442 350 L N 0.505 121.600 121.223 -0.213 0.000 2.042 350 L HA -0.126 4.213 4.340 -0.003 0.000 0.210 350 L C 2.045 178.636 176.870 -0.466 0.000 1.076 350 L CA 1.594 56.231 54.840 -0.339 0.000 0.749 350 L CB -0.538 41.191 42.059 -0.549 0.000 0.893 350 L HN 0.012 nan 8.230 nan 0.000 0.432 351 F N -0.209 119.490 119.950 -0.418 0.000 2.259 351 F HA -0.117 4.409 4.527 -0.002 0.000 0.298 351 F C 2.551 177.992 175.800 -0.599 0.000 1.088 351 F CA 1.328 58.826 58.000 -0.836 0.000 1.358 351 F CB -0.463 38.002 39.000 -0.893 0.000 1.040 351 F HN 0.248 nan 8.300 nan 0.000 0.505 352 E N 0.356 120.466 120.200 -0.150 0.000 2.077 352 E HA -0.263 4.085 4.350 -0.003 0.000 0.193 352 E C 2.155 178.711 176.600 -0.073 0.000 0.989 352 E CA 1.248 57.581 56.400 -0.112 0.000 0.800 352 E CB -0.343 29.349 29.700 -0.014 0.000 0.746 352 E HN 0.402 nan 8.360 nan 0.000 0.452 353 F N 1.148 121.008 119.950 -0.151 0.000 2.171 353 F HA -0.124 4.401 4.527 -0.003 0.000 0.300 353 F C 1.856 177.587 175.800 -0.115 0.000 1.090 353 F CA 1.248 59.197 58.000 -0.085 0.000 1.293 353 F CB 0.002 38.988 39.000 -0.024 0.000 1.013 353 F HN 0.011 nan 8.300 nan 0.000 0.486 354 L N -1.649 119.468 121.223 -0.176 0.000 2.131 354 L HA -0.145 4.193 4.340 -0.003 0.000 0.206 354 L C 1.708 178.530 176.870 -0.081 0.000 1.087 354 L CA 0.724 55.421 54.840 -0.238 0.000 0.767 354 L CB -0.492 41.293 42.059 -0.457 0.000 0.917 354 L HN 0.267 nan 8.230 nan 0.000 0.441 355 W N -0.809 120.319 121.300 -0.286 0.000 2.873 355 W HA 0.248 4.906 4.660 -0.002 0.000 0.282 355 W C 1.276 177.553 176.519 -0.405 0.000 1.118 355 W CA -0.799 56.235 57.345 -0.518 0.000 1.480 355 W CB -0.267 28.444 29.460 -1.249 0.000 0.954 355 W HN -0.070 nan 8.180 nan 0.000 0.591 356 R N 2.658 123.081 120.500 -0.128 0.000 2.585 356 R HA -0.025 4.313 4.340 -0.003 0.000 0.275 356 R C -0.309 175.952 176.300 -0.064 0.000 1.018 356 R CA 0.498 56.512 56.100 -0.143 0.000 1.072 356 R CB 0.282 30.481 30.300 -0.169 0.000 0.953 356 R HN -0.278 nan 8.270 nan 0.000 0.419 357 D N 3.040 123.419 120.400 -0.035 0.000 2.428 357 D HA 0.023 4.662 4.640 -0.003 0.000 0.221 357 D C 0.648 176.943 176.300 -0.008 0.000 1.123 357 D CA -0.183 53.815 54.000 -0.003 0.000 0.869 357 D CB 1.346 42.162 40.800 0.027 0.000 1.032 357 D HN 0.661 nan 8.370 nan 0.000 0.506 358 T N 0.613 115.160 114.554 -0.011 0.000 3.129 358 T HA -0.015 4.333 4.350 -0.003 0.000 0.251 358 T C 1.023 175.729 174.700 0.009 0.000 1.117 358 T CA 0.341 62.445 62.100 0.007 0.000 1.034 358 T CB 0.238 69.105 68.868 -0.003 0.000 0.968 358 T HN 0.214 nan 8.240 nan 0.000 0.526 359 Q N 0.135 119.937 119.800 0.002 0.000 2.317 359 Q HA 0.365 4.703 4.340 -0.003 0.000 0.220 359 Q C 0.488 176.491 176.000 0.005 0.000 0.873 359 Q CA -0.234 55.569 55.803 0.001 0.000 0.936 359 Q CB 0.046 28.779 28.738 -0.008 0.000 1.105 359 Q HN 0.453 nan 8.270 nan 0.000 0.520 360 L N 1.806 123.036 121.223 0.012 0.000 2.490 360 L HA 0.238 4.577 4.340 -0.003 0.000 0.274 360 L C 0.759 177.641 176.870 0.020 0.000 1.201 360 L CA 0.420 55.270 54.840 0.016 0.000 0.869 360 L CB 0.407 42.481 42.059 0.026 0.000 1.123 360 L HN 0.125 nan 8.230 nan 0.000 0.484 361 G N 2.760 111.564 108.800 0.007 0.000 2.525 361 G HA2 0.427 4.385 3.960 -0.003 0.000 0.276 361 G HA3 0.427 4.385 3.960 -0.003 0.000 0.276 361 G C -0.845 174.061 174.900 0.010 0.000 1.388 361 G CA 0.156 45.256 45.100 0.000 0.000 1.050 361 G HN 0.897 nan 8.290 nan 0.000 0.520 362 S N -1.554 114.147 115.700 0.001 0.000 2.543 362 S HA 0.641 5.109 4.470 -0.003 0.000 0.271 362 S C -0.909 173.676 174.600 -0.025 0.000 1.148 362 S CA -0.797 57.438 58.200 0.057 0.000 0.914 362 S CB 1.434 64.724 63.200 0.149 0.000 1.096 362 S HN 0.628 nan 8.310 nan 0.000 0.471 363 R N 2.499 122.909 120.500 -0.150 0.000 2.532 363 R HA 0.413 4.752 4.340 -0.003 0.000 0.297 363 R C -0.701 175.128 176.300 -0.785 0.000 0.984 363 R CA -0.860 54.965 56.100 -0.457 0.000 0.884 363 R CB 1.874 31.652 30.300 -0.871 0.000 1.182 363 R HN 0.601 nan 8.270 nan 0.000 0.442 364 K N 3.122 122.975 120.400 -0.911 0.000 2.380 364 K HA 0.054 4.372 4.320 -0.003 0.000 0.267 364 K C -1.550 174.722 176.600 -0.548 0.000 0.990 364 K CA -1.185 54.489 56.287 -1.022 0.000 0.946 364 K CB 0.576 32.728 32.500 -0.580 0.000 0.937 364 K HN 0.309 nan 8.250 nan 0.000 0.491 365 P HA -0.020 nan 4.420 nan 0.000 0.245 365 P C -0.388 176.134 177.300 -1.296 0.000 1.212 365 P CA 0.631 63.163 63.100 -0.947 0.000 0.774 365 P CB 0.268 31.176 31.700 -1.320 0.000 0.999 366 D N 1.244 121.169 120.400 -0.792 0.000 2.221 366 D HA -0.171 4.467 4.640 -0.003 0.000 0.204 366 D C 1.359 177.489 176.300 -0.284 0.000 0.982 366 D CA 1.456 55.135 54.000 -0.535 0.000 0.857 366 D CB -0.519 40.178 40.800 -0.171 0.000 0.934 366 D HN 0.373 nan 8.370 nan 0.000 0.475 367 D N -0.297 119.971 120.400 -0.220 0.000 2.339 367 D HA -0.038 4.601 4.640 -0.003 0.000 0.217 367 D C 0.401 176.696 176.300 -0.008 0.000 1.050 367 D CA -0.196 53.781 54.000 -0.038 0.000 0.856 367 D CB -0.349 40.461 40.800 0.017 0.000 0.922 367 D HN 0.167 nan 8.370 nan 0.000 0.518 368 L N 1.061 122.194 121.223 -0.150 0.000 2.397 368 L HA 0.290 4.628 4.340 -0.003 0.000 0.271 368 L C -2.004 175.046 176.870 0.301 0.000 1.148 368 L CA -1.761 53.067 54.840 -0.021 0.000 0.825 368 L CB 0.633 42.507 42.059 -0.308 0.000 1.117 368 L HN -0.225 nan 8.230 nan 0.000 0.456 369 P HA -0.033 nan 4.420 nan 0.000 0.266 369 P C 0.583 178.061 177.300 0.297 0.000 1.193 369 P CA 0.073 63.312 63.100 0.232 0.000 0.770 369 P CB 0.474 32.267 31.700 0.155 0.000 0.836 370 L N -0.175 121.102 121.223 0.090 0.000 2.376 370 L HA -0.005 4.333 4.340 -0.003 0.000 0.219 370 L C 0.719 177.530 176.870 -0.100 0.000 1.133 370 L CA 1.229 56.044 54.840 -0.041 0.000 0.816 370 L CB -0.238 41.756 42.059 -0.109 0.000 0.933 370 L HN 0.329 nan 8.230 nan 0.000 0.449 371 S N -0.752 114.777 115.700 -0.286 0.000 2.542 371 S HA 0.613 5.082 4.470 -0.003 0.000 0.293 371 S C -0.628 173.619 174.600 -0.590 0.000 1.089 371 S CA -0.642 57.250 58.200 -0.514 0.000 0.961 371 S CB 2.902 65.605 63.200 -0.830 0.000 1.062 371 S HN 0.131 nan 8.310 nan 0.000 0.483 372 R N 1.331 121.543 120.500 -0.481 0.000 2.621 372 R HA 0.441 4.779 4.340 -0.003 0.000 0.284 372 R C -2.137 174.148 176.300 -0.026 0.000 0.998 372 R CA -0.616 55.285 56.100 -0.330 0.000 0.895 372 R CB 1.273 31.104 30.300 -0.782 0.000 1.195 372 R HN 0.706 nan 8.270 nan 0.000 0.450 373 Y N 1.851 122.180 120.300 0.049 0.000 2.360 373 Y HA 0.462 5.010 4.550 -0.003 0.000 0.337 373 Y C -1.178 174.734 175.900 0.020 0.000 1.039 373 Y CA -0.396 57.751 58.100 0.078 0.000 1.109 373 Y CB 2.035 40.584 38.460 0.149 0.000 1.201 373 Y HN 0.480 nan 8.280 nan 0.000 0.458 374 S N 4.756 120.028 115.700 -0.713 0.000 2.566 374 S HA 0.539 5.007 4.470 -0.003 0.000 0.324 374 S C 0.384 174.379 174.600 -1.007 0.000 1.081 374 S CA -0.445 57.367 58.200 -0.646 0.000 1.105 374 S CB 0.976 63.972 63.200 -0.340 0.000 0.981 374 S HN 1.074 nan 8.310 nan 0.000 0.464 375 G N 1.936 110.241 108.800 -0.824 0.000 2.514 375 G HA2 0.325 4.284 3.960 -0.003 0.000 0.245 375 G HA3 0.325 4.284 3.960 -0.003 0.000 0.245 375 G C -0.021 174.676 174.900 -0.339 0.000 1.488 375 G CA -0.591 44.204 45.100 -0.509 0.000 1.063 375 G HN 0.610 nan 8.290 nan 0.000 0.557 376 S N 1.756 117.303 115.700 -0.256 0.000 2.552 376 S HA 0.196 4.664 4.470 -0.003 0.000 0.289 376 S C -1.517 172.684 174.600 -0.666 0.000 1.304 376 S CA -0.258 57.730 58.200 -0.353 0.000 1.063 376 S CB 1.299 64.361 63.200 -0.230 0.000 0.848 376 S HN 0.453 nan 8.310 nan 0.000 0.499 377 P HA 0.208 nan 4.420 nan 0.000 0.254 377 P C 0.011 176.956 177.300 -0.591 0.000 1.494 377 P CA 0.125 62.857 63.100 -0.613 0.000 0.961 377 P CB -0.085 31.258 31.700 -0.595 0.000 1.493 378 F N 0.467 120.108 119.950 -0.515 0.000 2.204 378 F HA 0.384 4.909 4.527 -0.002 0.000 0.276 378 F C 1.704 177.103 175.800 -0.669 0.000 1.085 378 F CA 0.789 58.196 58.000 -0.988 0.000 1.160 378 F CB -1.034 36.916 39.000 -1.751 0.000 1.091 378 F HN 0.012 nan 8.300 nan 0.000 0.522 379 G N 0.407 109.023 108.800 -0.307 0.000 2.401 379 G HA2 -0.209 3.750 3.960 -0.003 0.000 0.283 379 G HA3 -0.209 3.750 3.960 -0.003 0.000 0.283 379 G C -1.025 174.050 174.900 0.292 0.000 1.117 379 G CA -0.602 44.519 45.100 0.035 0.000 1.051 379 G HN 0.156 nan 8.290 nan 0.000 0.510 380 W N 0.116 121.380 121.300 -0.060 0.000 2.702 380 W HA 0.816 5.474 4.660 -0.004 0.000 0.331 380 W C 0.032 176.525 176.519 -0.044 0.000 1.049 380 W CA -1.791 55.509 57.345 -0.075 0.000 1.230 380 W CB 1.416 30.790 29.460 -0.144 0.000 1.408 380 W HN 0.090 nan 8.180 nan 0.000 0.492 381 M N 4.093 123.802 119.600 0.181 0.000 2.321 381 M HA 0.376 4.855 4.480 -0.003 0.000 0.315 381 M C -1.070 175.200 176.300 -0.050 0.000 1.052 381 M CA -1.022 54.344 55.300 0.110 0.000 0.936 381 M CB 2.153 34.825 32.600 0.119 0.000 1.639 381 M HN 0.354 nan 8.290 nan 0.000 0.433 382 I N 3.005 123.514 120.570 -0.102 0.000 2.406 382 I HA 0.703 4.871 4.170 -0.003 0.000 0.290 382 I C -0.923 175.051 176.117 -0.238 0.000 0.999 382 I CA -0.138 61.063 61.300 -0.165 0.000 1.124 382 I CB 1.431 39.359 38.000 -0.120 0.000 1.289 382 I HN 0.761 nan 8.210 nan 0.000 0.441 383 A N 7.855 130.461 122.820 -0.357 0.000 2.356 383 A HA 0.896 5.215 4.320 -0.003 0.000 0.310 383 A C -0.577 176.680 177.584 -0.544 0.000 1.075 383 A CA -0.693 51.033 52.037 -0.519 0.000 0.746 383 A CB 1.030 19.532 19.000 -0.829 0.000 1.221 383 A HN 0.709 nan 8.150 nan 0.000 0.443 384 R N 0.552 120.833 120.500 -0.364 0.000 2.892 384 R HA 0.638 4.976 4.340 -0.003 0.000 0.265 384 R C 0.492 176.706 176.300 -0.143 0.000 1.025 384 R CA -0.119 55.803 56.100 -0.298 0.000 0.982 384 R CB 1.647 31.638 30.300 -0.516 0.000 1.185 384 R HN 0.740 nan 8.270 nan 0.000 0.484 385 T N -2.814 111.705 114.554 -0.059 0.000 3.054 385 T HA 0.362 4.711 4.350 -0.003 0.000 0.255 385 T C 0.716 175.385 174.700 -0.052 0.000 1.035 385 T CA 0.173 62.282 62.100 0.015 0.000 0.941 385 T CB 0.627 69.553 68.868 0.097 0.000 1.026 385 T HN 0.745 nan 8.240 nan 0.000 0.533 386 G N -0.202 108.482 108.800 -0.194 0.000 2.348 386 G HA2 0.406 4.364 3.960 -0.003 0.000 0.296 386 G HA3 0.406 4.364 3.960 -0.003 0.000 0.296 386 G C -1.681 172.968 174.900 -0.419 0.000 1.258 386 G CA -0.834 44.157 45.100 -0.181 0.000 0.868 386 G HN 0.178 nan 8.290 nan 0.000 0.488 387 W N 0.317 121.621 121.300 0.007 0.000 2.304 387 W HA 0.528 5.187 4.660 -0.002 0.000 0.326 387 W C 0.977 177.498 176.519 0.005 0.000 0.920 387 W CA 0.260 57.591 57.345 -0.024 0.000 1.518 387 W CB 1.510 30.931 29.460 -0.065 0.000 1.112 387 W HN 0.824 nan 8.180 nan 0.000 0.528 388 G N 0.588 109.500 108.800 0.187 0.000 2.990 388 G HA2 0.307 4.265 3.960 -0.003 0.000 0.208 388 G HA3 0.307 4.265 3.960 -0.003 0.000 0.208 388 G C -1.636 173.334 174.900 0.118 0.000 1.334 388 G CA -0.647 44.541 45.100 0.147 0.000 1.024 388 G HN -0.319 nan 8.290 nan 0.000 0.574 389 P HA 0.013 nan 4.420 nan 0.000 0.226 389 P C 0.747 178.086 177.300 0.066 0.000 1.153 389 P CA 0.931 64.079 63.100 0.080 0.000 0.777 389 P CB 0.422 32.157 31.700 0.058 0.000 0.794 390 E N 0.125 120.383 120.200 0.098 0.000 2.479 390 E HA 0.058 4.406 4.350 -0.003 0.000 0.193 390 E C 0.469 177.227 176.600 0.263 0.000 1.049 390 E CA 0.144 56.634 56.400 0.151 0.000 0.870 390 E CB 0.112 29.906 29.700 0.156 0.000 0.944 390 E HN 0.316 nan 8.360 nan 0.000 0.492 391 S N 0.565 116.382 115.700 0.195 0.000 2.528 391 S HA 0.293 4.761 4.470 -0.003 0.000 0.277 391 S C 0.484 175.276 174.600 0.321 0.000 1.297 391 S CA -0.729 57.578 58.200 0.178 0.000 1.052 391 S CB 1.784 64.998 63.200 0.022 0.000 0.917 391 S HN -0.145 nan 8.310 nan 0.000 0.492 392 V N 3.834 123.931 119.914 0.305 0.000 2.649 392 V HA 0.361 4.479 4.120 -0.003 0.000 0.292 392 V C 0.163 176.366 176.094 0.181 0.000 1.055 392 V CA -0.482 62.020 62.300 0.336 0.000 1.023 392 V CB 0.522 32.495 31.823 0.250 0.000 0.992 392 V HN 0.852 nan 8.190 nan 0.000 0.480 393 I N 3.767 124.463 120.570 0.211 0.000 2.439 393 I HA 0.661 4.829 4.170 -0.003 0.000 0.283 393 I C -0.029 176.114 176.117 0.044 0.000 1.023 393 I CA -0.408 60.921 61.300 0.049 0.000 1.100 393 I CB 1.628 39.651 38.000 0.038 0.000 1.238 393 I HN 0.661 nan 8.210 nan 0.000 0.445 394 A N 5.558 128.290 122.820 -0.147 0.000 2.331 394 A HA 0.672 4.991 4.320 -0.003 0.000 0.320 394 A C -0.708 176.783 177.584 -0.155 0.000 1.138 394 A CA -0.499 51.468 52.037 -0.115 0.000 0.790 394 A CB 1.449 20.310 19.000 -0.232 0.000 1.206 394 A HN 0.745 nan 8.150 nan 0.000 0.470 395 E N 2.444 122.615 120.200 -0.047 0.000 2.183 395 E HA 0.709 5.057 4.350 -0.003 0.000 0.271 395 E C -1.347 175.182 176.600 -0.119 0.000 0.919 395 E CA -0.505 55.831 56.400 -0.107 0.000 0.781 395 E CB 1.143 30.773 29.700 -0.115 0.000 1.140 395 E HN 0.668 nan 8.360 nan 0.000 0.402 396 M N 3.491 122.927 119.600 -0.274 0.000 2.267 396 M HA 0.411 4.890 4.480 -0.003 0.000 0.289 396 M C -1.101 174.889 176.300 -0.517 0.000 1.043 396 M CA -0.549 54.364 55.300 -0.645 0.000 0.928 396 M CB 2.334 34.352 32.600 -0.970 0.000 1.613 396 M HN 0.199 nan 8.290 nan 0.000 0.450 397 K N 1.813 121.971 120.400 -0.404 0.000 2.371 397 K HA 0.638 4.956 4.320 -0.003 0.000 0.251 397 K C -0.288 176.470 176.600 0.263 0.000 0.934 397 K CA -0.718 55.549 56.287 -0.035 0.000 0.798 397 K CB 3.110 35.444 32.500 -0.277 0.000 1.204 397 K HN 0.402 nan 8.250 nan 0.000 0.427 398 V N 0.973 121.142 119.914 0.426 0.000 2.502 398 V HA 0.005 4.124 4.120 -0.003 0.000 0.234 398 V C -0.312 175.992 176.094 0.350 0.000 1.072 398 V CA 0.217 62.743 62.300 0.377 0.000 1.094 398 V CB -0.558 31.453 31.823 0.313 0.000 0.761 398 V HN 0.940 nan 8.190 nan 0.000 0.489 399 N N 0.404 119.358 118.700 0.423 0.000 2.612 399 N HA -0.123 4.615 4.740 -0.003 0.000 0.271 399 N C 0.302 175.914 175.510 0.170 0.000 1.259 399 N CA 0.549 53.823 53.050 0.373 0.000 0.678 399 N CB -0.997 37.694 38.487 0.340 0.000 0.953 399 N HN 0.592 nan 8.380 nan 0.000 0.522 400 E N -0.214 120.044 120.200 0.097 0.000 2.158 400 E HA -0.029 4.319 4.350 -0.003 0.000 0.191 400 E C -0.247 176.230 176.600 -0.205 0.000 0.982 400 E CA 1.061 57.442 56.400 -0.031 0.000 0.823 400 E CB 0.263 29.968 29.700 0.008 0.000 0.766 400 E HN 0.552 nan 8.360 nan 0.000 0.468 401 Y N -1.001 119.313 120.300 0.025 0.000 2.581 401 Y HA 0.290 4.840 4.550 -0.001 0.000 0.345 401 Y C -0.283 175.620 175.900 0.004 0.000 1.036 401 Y CA -0.872 57.214 58.100 -0.024 0.000 1.042 401 Y CB 2.238 40.618 38.460 -0.133 0.000 1.289 401 Y HN -0.298 nan 8.280 nan 0.000 0.471 402 S N 0.955 116.751 115.700 0.160 0.000 2.451 402 S HA 0.449 4.917 4.470 -0.003 0.000 0.301 402 S C -0.335 174.260 174.600 -0.009 0.000 1.116 402 S CA -0.437 57.882 58.200 0.197 0.000 1.093 402 S CB 0.248 63.601 63.200 0.255 0.000 1.017 402 S HN 0.553 nan 8.310 nan 0.000 0.482 403 F N 4.019 124.019 119.950 0.084 0.000 2.721 403 F HA 0.343 4.869 4.527 -0.002 0.000 0.301 403 F C 0.875 176.696 175.800 0.035 0.000 1.096 403 F CA -0.182 57.766 58.000 -0.087 0.000 1.308 403 F CB -0.378 38.407 39.000 -0.357 0.000 1.086 403 F HN 0.474 nan 8.300 nan 0.000 0.587 404 L N -0.531 120.870 121.223 0.297 0.000 7.382 404 L HA -0.431 3.907 4.340 -0.003 0.000 0.055 404 L C 1.389 178.372 176.870 0.189 0.000 1.434 404 L CA 1.366 56.352 54.840 0.244 0.000 1.563 404 L CB -1.620 40.562 42.059 0.204 0.000 2.813 404 L HN 0.433 nan 8.230 nan 0.000 1.135 405 N N -2.686 116.048 118.700 0.056 0.000 1.518 405 N HA -0.342 4.396 4.740 -0.003 0.000 0.146 405 N C 1.050 176.584 175.510 0.040 0.000 0.621 405 N CA 1.663 54.699 53.050 -0.024 0.000 1.108 405 N CB -0.795 37.667 38.487 -0.041 0.000 1.310 405 N HN 0.768 nan 8.380 nan 0.000 0.457 406 H N 0.968 120.171 119.070 0.221 0.000 2.551 406 H HA 0.088 4.642 4.556 -0.003 0.000 0.266 406 H C 0.768 176.199 175.328 0.173 0.000 0.977 406 H CA 0.561 56.725 56.048 0.193 0.000 1.163 406 H CB -0.069 29.738 29.762 0.077 0.000 1.381 406 H HN 0.412 nan 8.280 nan 0.000 0.581 407 Q N 0.675 120.661 119.800 0.309 0.000 2.354 407 Q HA 0.110 4.448 4.340 -0.003 0.000 0.244 407 Q C -0.485 175.733 176.000 0.363 0.000 0.969 407 Q CA -0.088 55.876 55.803 0.268 0.000 0.885 407 Q CB 0.827 29.771 28.738 0.343 0.000 1.241 407 Q HN 0.488 nan 8.270 nan 0.000 0.461 408 H N 1.215 120.313 119.070 0.047 0.000 2.525 408 H HA 0.186 4.740 4.556 -0.003 0.000 0.340 408 H C -0.516 174.784 175.328 -0.047 0.000 1.168 408 H CA -1.179 54.856 56.048 -0.022 0.000 1.247 408 H CB 1.250 30.930 29.762 -0.137 0.000 1.568 408 H HN 0.484 nan 8.280 nan 0.000 0.536 409 Q N 2.617 122.443 119.800 0.043 0.000 3.026 409 Q HA 0.038 4.377 4.340 -0.003 0.000 0.258 409 Q C -0.392 175.467 176.000 -0.234 0.000 1.388 409 Q CA -0.045 55.724 55.803 -0.057 0.000 1.000 409 Q CB -0.447 28.244 28.738 -0.078 0.000 1.634 409 Q HN 0.606 nan 8.270 nan 0.000 0.571 410 D N -1.504 118.722 120.400 -0.289 0.000 2.623 410 D HA 0.197 4.835 4.640 -0.003 0.000 0.252 410 D C 0.133 176.324 176.300 -0.181 0.000 1.294 410 D CA -0.644 53.066 54.000 -0.483 0.000 0.824 410 D CB 0.022 40.257 40.800 -0.943 0.000 1.070 410 D HN 0.173 nan 8.370 nan 0.000 0.487 411 A N 0.301 123.082 122.820 -0.065 0.000 2.565 411 A HA 0.459 4.778 4.320 -0.003 0.000 0.237 411 A C 1.789 179.447 177.584 0.123 0.000 1.053 411 A CA 0.737 52.812 52.037 0.063 0.000 0.755 411 A CB -0.428 18.605 19.000 0.055 0.000 0.980 411 A HN 1.018 nan 8.150 nan 0.000 0.506 412 G N 0.673 109.620 108.800 0.246 0.000 2.179 412 G HA2 0.125 4.083 3.960 -0.003 0.000 0.260 412 G HA3 0.125 4.083 3.960 -0.003 0.000 0.260 412 G C 0.622 175.792 174.900 0.450 0.000 0.977 412 G CA 0.557 45.892 45.100 0.392 0.000 0.641 412 G HN 2.254 nan 8.290 nan 0.000 0.533 413 A N 0.122 123.070 122.820 0.213 0.000 2.425 413 A HA 0.703 5.021 4.320 -0.003 0.000 0.249 413 A C 0.106 177.816 177.584 0.211 0.000 1.084 413 A CA 0.566 52.663 52.037 0.099 0.000 0.781 413 A CB 0.047 19.015 19.000 -0.053 0.000 1.019 413 A HN 1.640 nan 8.150 nan 0.000 0.490 414 F N -0.215 119.854 119.950 0.199 0.000 2.556 414 F HA 0.786 5.311 4.527 -0.003 0.000 0.327 414 F C -0.385 175.481 175.800 0.109 0.000 1.059 414 F CA -0.982 57.112 58.000 0.156 0.000 0.953 414 F CB 1.698 40.897 39.000 0.331 0.000 1.227 414 F HN 0.620 nan 8.300 nan 0.000 0.478 415 Q N 2.691 122.667 119.800 0.293 0.000 2.284 415 Q HA 0.649 4.987 4.340 -0.003 0.000 0.269 415 Q C -2.136 174.024 176.000 0.265 0.000 1.026 415 Q CA -0.628 55.298 55.803 0.205 0.000 0.831 415 Q CB 2.615 31.407 28.738 0.090 0.000 1.322 415 Q HN 0.916 nan 8.270 nan 0.000 0.419 416 I N 3.401 124.147 120.570 0.294 0.000 2.533 416 I HA 0.396 4.565 4.170 -0.003 0.000 0.290 416 I C -1.402 174.890 176.117 0.292 0.000 1.056 416 I CA -1.008 60.467 61.300 0.291 0.000 1.057 416 I CB 1.938 40.129 38.000 0.318 0.000 1.240 416 I HN 0.638 nan 8.210 nan 0.000 0.423 417 Y N 7.154 127.553 120.300 0.164 0.000 2.376 417 Y HA 0.595 5.144 4.550 -0.003 0.000 0.340 417 Y C -1.778 174.263 175.900 0.234 0.000 0.965 417 Y CA -0.833 57.362 58.100 0.158 0.000 1.078 417 Y CB 1.546 40.069 38.460 0.104 0.000 1.193 417 Y HN 0.527 nan 8.280 nan 0.000 0.452 418 Y N 6.109 126.171 120.300 -0.396 0.000 2.323 418 Y HA 0.274 4.822 4.550 -0.002 0.000 0.322 418 Y C -0.597 175.061 175.900 -0.403 0.000 1.133 418 Y CA -1.700 56.262 58.100 -0.230 0.000 1.093 418 Y CB 0.976 39.422 38.460 -0.023 0.000 1.203 418 Y HN 0.764 nan 8.280 nan 0.000 0.427 419 K N 4.214 124.115 120.400 -0.831 0.000 3.177 419 K HA -0.128 4.190 4.320 -0.003 0.000 0.266 419 K C 0.180 176.462 176.600 -0.530 0.000 0.937 419 K CA 1.306 57.227 56.287 -0.610 0.000 0.702 419 K CB -1.546 30.552 32.500 -0.669 0.000 1.365 419 K HN 1.386 nan 8.250 nan 0.000 0.466 420 G N -0.754 107.492 108.800 -0.924 0.000 2.428 420 G HA2 0.009 3.967 3.960 -0.003 0.000 0.681 420 G HA3 0.009 3.967 3.960 -0.003 0.000 0.681 420 G C -3.288 171.191 174.900 -0.700 0.000 1.340 420 G CA -1.236 43.518 45.100 -0.576 0.000 0.915 420 G HN -0.087 nan 8.290 nan 0.000 0.645 421 P HA 0.450 nan 4.420 nan 0.000 0.276 421 P C 0.750 178.070 177.300 0.034 0.000 1.253 421 P CA -0.289 62.854 63.100 0.071 0.000 0.766 421 P CB 0.843 32.636 31.700 0.154 0.000 0.845 422 L N 2.512 123.782 121.223 0.079 0.000 2.630 422 L HA 0.345 4.684 4.340 -0.003 0.000 0.180 422 L C 1.119 178.085 176.870 0.160 0.000 1.221 422 L CA 0.199 55.103 54.840 0.107 0.000 0.853 422 L CB -0.732 41.400 42.059 0.122 0.000 1.172 422 L HN 0.212 nan 8.230 nan 0.000 0.508 423 A N 1.787 124.734 122.820 0.212 0.000 2.310 423 A HA 0.525 4.843 4.320 -0.003 0.000 0.300 423 A C -0.242 177.444 177.584 0.170 0.000 1.269 423 A CA -0.346 51.829 52.037 0.230 0.000 0.909 423 A CB -0.531 18.698 19.000 0.382 0.000 1.144 423 A HN 0.365 nan 8.150 nan 0.000 0.540 424 I N -0.686 119.969 120.570 0.142 0.000 2.822 424 I HA 0.564 4.732 4.170 -0.003 0.000 0.312 424 I C -0.571 175.571 176.117 0.042 0.000 1.011 424 I CA -0.896 60.472 61.300 0.114 0.000 1.105 424 I CB 1.828 39.900 38.000 0.119 0.000 1.291 424 I HN 0.376 nan 8.210 nan 0.000 0.474 425 D N 3.964 124.394 120.400 0.049 0.000 2.467 425 D HA 0.495 5.134 4.640 -0.003 0.000 0.220 425 D C -0.107 176.219 176.300 0.043 0.000 1.103 425 D CA -0.036 53.956 54.000 -0.013 0.000 0.886 425 D CB 1.329 42.179 40.800 0.083 0.000 1.025 425 D HN 0.785 nan 8.370 nan 0.000 0.514 426 A N 2.082 124.829 122.820 -0.121 0.000 2.272 426 A HA 0.776 5.094 4.320 -0.003 0.000 0.275 426 A C 0.902 178.785 177.584 0.499 0.000 1.096 426 A CA 0.410 52.547 52.037 0.167 0.000 0.822 426 A CB 0.176 19.250 19.000 0.122 0.000 1.088 426 A HN 0.904 nan 8.150 nan 0.000 0.495 427 G N -1.371 107.853 108.800 0.708 0.000 2.757 427 G HA2 0.309 4.268 3.960 -0.003 0.000 0.638 427 G HA3 0.309 4.268 3.960 -0.003 0.000 0.638 427 G C -0.137 174.909 174.900 0.243 0.000 1.344 427 G CA 0.137 45.580 45.100 0.571 0.000 0.855 427 G HN 2.057 nan 8.290 nan 0.000 0.537 428 S N -1.831 113.637 115.700 -0.387 0.000 2.541 428 S HA 0.585 5.053 4.470 -0.003 0.000 0.271 428 S C 0.594 174.543 174.600 -1.085 0.000 1.133 428 S CA 0.441 58.278 58.200 -0.605 0.000 0.876 428 S CB 1.490 64.646 63.200 -0.074 0.000 1.105 428 S HN 1.557 nan 8.310 nan 0.000 0.470 429 Y N 3.821 123.608 120.300 -0.855 0.000 2.145 429 Y HA 0.052 4.601 4.550 -0.003 0.000 0.286 429 Y C 1.358 177.184 175.900 -0.123 0.000 1.145 429 Y CA 2.255 60.196 58.100 -0.266 0.000 1.148 429 Y CB -0.497 38.019 38.460 0.093 0.000 0.981 429 Y HN 0.766 nan 8.280 nan 0.000 0.507 430 T N -1.879 112.557 114.554 -0.196 0.000 2.926 430 T HA 0.765 5.114 4.350 -0.003 0.000 0.289 430 T C 0.132 174.730 174.700 -0.171 0.000 1.054 430 T CA -0.240 61.725 62.100 -0.225 0.000 1.015 430 T CB 1.928 70.696 68.868 -0.168 0.000 1.167 430 T HN 0.644 nan 8.240 nan 0.000 0.526 431 G N 0.278 108.995 108.800 -0.140 0.000 2.368 431 G HA2 0.301 4.260 3.960 -0.003 0.000 0.269 431 G HA3 0.301 4.260 3.960 -0.003 0.000 0.269 431 G C 0.686 175.534 174.900 -0.087 0.000 1.291 431 G CA 0.350 45.383 45.100 -0.110 0.000 0.903 431 G HN 1.442 nan 8.290 nan 0.000 0.483 432 S N -0.524 115.134 115.700 -0.070 0.000 2.442 432 S HA -0.031 4.438 4.470 -0.003 0.000 0.236 432 S C 2.285 176.863 174.600 -0.036 0.000 1.007 432 S CA 2.364 60.540 58.200 -0.040 0.000 0.965 432 S CB -0.131 63.056 63.200 -0.022 0.000 0.773 432 S HN 1.227 nan 8.310 nan 0.000 0.504 433 S N 0.862 116.525 115.700 -0.062 0.000 2.406 433 S HA 0.409 4.878 4.470 -0.003 0.000 0.228 433 S C 1.068 175.660 174.600 -0.014 0.000 1.020 433 S CA 1.082 59.270 58.200 -0.020 0.000 0.965 433 S CB -0.688 62.506 63.200 -0.011 0.000 0.798 433 S HN 1.178 nan 8.310 nan 0.000 0.488 434 G N -1.175 107.596 108.800 -0.048 0.000 2.260 434 G HA2 0.334 4.292 3.960 -0.003 0.000 0.250 434 G HA3 0.334 4.292 3.960 -0.003 0.000 0.250 434 G C 0.034 174.881 174.900 -0.089 0.000 1.340 434 G CA -0.212 44.863 45.100 -0.042 0.000 1.056 434 G HN 0.699 nan 8.290 nan 0.000 0.471 435 G N -1.847 106.908 108.800 -0.075 0.000 3.134 435 G HA2 0.481 4.439 3.960 -0.003 0.000 0.158 435 G HA3 0.481 4.439 3.960 -0.003 0.000 0.158 435 G C 0.909 175.744 174.900 -0.108 0.000 1.334 435 G CA 0.841 45.845 45.100 -0.159 0.000 1.001 435 G HN 0.988 nan 8.290 nan 0.000 0.600 436 Y N 1.003 121.211 120.300 -0.154 0.000 2.151 436 Y HA -0.183 4.366 4.550 -0.002 0.000 0.284 436 Y C 2.380 178.398 175.900 0.196 0.000 1.166 436 Y CA 2.467 60.619 58.100 0.086 0.000 1.163 436 Y CB 0.092 38.631 38.460 0.133 0.000 0.974 436 Y HN 0.263 nan 8.280 nan 0.000 0.511 437 N N 0.218 119.058 118.700 0.233 0.000 2.461 437 N HA -0.008 4.730 4.740 -0.003 0.000 0.188 437 N C 0.254 175.823 175.510 0.098 0.000 1.134 437 N CA 0.758 53.932 53.050 0.207 0.000 0.878 437 N CB -0.445 38.126 38.487 0.140 0.000 0.972 437 N HN 0.308 nan 8.380 nan 0.000 0.456 438 S N 0.474 116.209 115.700 0.058 0.000 2.566 438 S HA 0.130 4.598 4.470 -0.003 0.000 0.280 438 S C -1.587 173.027 174.600 0.022 0.000 1.343 438 S CA -0.865 57.360 58.200 0.041 0.000 1.036 438 S CB 1.154 64.374 63.200 0.034 0.000 0.866 438 S HN -0.065 nan 8.310 nan 0.000 0.526 439 P HA -0.159 nan 4.420 nan 0.000 0.219 439 P C 1.383 178.628 177.300 -0.091 0.000 1.146 439 P CA 1.284 64.381 63.100 -0.005 0.000 0.808 439 P CB -0.185 31.602 31.700 0.145 0.000 0.779 440 H N -0.345 118.690 119.070 -0.059 0.000 2.326 440 H HA -0.084 4.471 4.556 -0.002 0.000 0.301 440 H C 1.704 177.004 175.328 -0.048 0.000 1.081 440 H CA 1.386 57.389 56.048 -0.075 0.000 1.334 440 H CB -0.293 29.396 29.762 -0.122 0.000 1.385 440 H HN 0.024 nan 8.280 nan 0.000 0.504 441 N N 0.969 119.686 118.700 0.029 0.000 2.058 441 N HA -0.130 4.609 4.740 -0.003 0.000 0.191 441 N C 1.959 177.402 175.510 -0.110 0.000 1.037 441 N CA 1.151 54.231 53.050 0.050 0.000 0.848 441 N CB -0.130 38.411 38.487 0.091 0.000 1.021 441 N HN 0.444 nan 8.380 nan 0.000 0.422 442 K N 0.457 120.732 120.400 -0.208 0.000 2.148 442 K HA 0.028 4.346 4.320 -0.003 0.000 0.204 442 K C 1.029 177.459 176.600 -0.284 0.000 1.050 442 K CA 0.811 56.974 56.287 -0.207 0.000 0.942 442 K CB 0.094 32.443 32.500 -0.253 0.000 0.724 442 K HN 0.216 nan 8.250 nan 0.000 0.446 443 N N -1.268 117.167 118.700 -0.442 0.000 2.250 443 N HA 0.048 4.786 4.740 -0.003 0.000 0.190 443 N C 0.643 175.886 175.510 -0.446 0.000 1.116 443 N CA 0.437 53.098 53.050 -0.648 0.000 0.881 443 N CB 0.635 38.286 38.487 -1.394 0.000 1.006 443 N HN 0.084 nan 8.380 nan 0.000 0.491 444 F N -0.865 118.773 119.950 -0.519 0.000 1.868 444 F HA 0.210 4.736 4.527 -0.002 0.000 0.245 444 F C 1.561 177.146 175.800 -0.359 0.000 1.114 444 F CA -0.434 57.325 58.000 -0.402 0.000 1.261 444 F CB -0.466 38.291 39.000 -0.406 0.000 1.620 444 F HN -0.237 nan 8.300 nan 0.000 0.567 445 F N 2.516 122.160 119.950 -0.510 0.000 2.091 445 F HA -0.136 4.390 4.527 -0.002 0.000 0.299 445 F C 1.855 177.307 175.800 -0.580 0.000 1.103 445 F CA 2.114 59.855 58.000 -0.432 0.000 1.228 445 F CB -0.518 38.356 39.000 -0.210 0.000 0.984 445 F HN -0.058 nan 8.300 nan 0.000 0.477 446 K N -0.121 119.922 120.400 -0.595 0.000 2.458 446 K HA 0.052 4.370 4.320 -0.003 0.000 0.194 446 K C 0.196 176.618 176.600 -0.298 0.000 1.024 446 K CA -0.063 55.785 56.287 -0.731 0.000 1.108 446 K CB 0.283 32.683 32.500 -0.167 0.000 0.846 446 K HN 0.055 nan 8.250 nan 0.000 0.518 447 R N -0.332 119.974 120.500 -0.323 0.000 2.758 447 R HA 0.189 4.527 4.340 -0.003 0.000 0.265 447 R C 1.095 177.297 176.300 -0.164 0.000 1.016 447 R CA -0.383 55.548 56.100 -0.283 0.000 1.040 447 R CB 0.591 30.658 30.300 -0.388 0.000 1.152 447 R HN -0.140 nan 8.270 nan 0.000 0.503 448 T N 1.196 115.663 114.554 -0.145 0.000 2.737 448 T HA -0.145 4.203 4.350 -0.003 0.000 0.269 448 T C 1.770 176.462 174.700 -0.014 0.000 1.040 448 T CA 1.310 63.385 62.100 -0.041 0.000 1.142 448 T CB -0.146 68.693 68.868 -0.048 0.000 0.861 448 T HN 0.516 nan 8.240 nan 0.000 0.456 449 I N 0.834 121.326 120.570 -0.130 0.000 2.700 449 I HA -0.112 4.056 4.170 -0.003 0.000 0.261 449 I C 2.214 178.174 176.117 -0.262 0.000 1.219 449 I CA 0.616 61.855 61.300 -0.101 0.000 1.463 449 I CB -0.178 37.788 38.000 -0.058 0.000 1.092 449 I HN 0.201 nan 8.210 nan 0.000 0.452 450 A N -0.943 121.433 122.820 -0.740 0.000 2.208 450 A HA 0.056 4.375 4.320 -0.003 0.000 0.209 450 A C 0.325 177.224 177.584 -1.140 0.000 1.161 450 A CA 0.422 51.715 52.037 -1.240 0.000 0.782 450 A CB -0.531 17.598 19.000 -1.452 0.000 0.816 450 A HN 0.533 nan 8.150 nan 0.000 0.477 451 H N -1.153 117.659 119.070 -0.429 0.000 2.710 451 H HA 0.380 4.934 4.556 -0.002 0.000 0.361 451 H C -0.541 174.701 175.328 -0.143 0.000 1.175 451 H CA -1.166 54.705 56.048 -0.296 0.000 1.206 451 H CB 0.573 30.209 29.762 -0.209 0.000 1.750 451 H HN 0.060 nan 8.280 nan 0.000 0.553 452 N N 0.958 119.566 118.700 -0.154 0.000 2.971 452 N HA 0.075 4.813 4.740 -0.003 0.000 0.294 452 N C -0.523 174.707 175.510 -0.466 0.000 1.210 452 N CA 0.130 52.876 53.050 -0.506 0.000 1.157 452 N CB 0.553 38.300 38.487 -1.232 0.000 1.450 452 N HN 0.408 nan 8.380 nan 0.000 0.527 453 S N 0.256 115.818 115.700 -0.230 0.000 3.516 453 S HA 0.671 5.140 4.470 -0.003 0.000 0.288 453 S C -1.093 173.460 174.600 -0.079 0.000 1.051 453 S CA -0.543 57.603 58.200 -0.089 0.000 1.109 453 S CB 0.489 63.706 63.200 0.029 0.000 1.338 453 S HN 0.213 nan 8.310 nan 0.000 0.743 454 L N 1.750 123.028 121.223 0.092 0.000 2.365 454 L HA 0.643 4.981 4.340 -0.003 0.000 0.273 454 L C -1.340 175.678 176.870 0.247 0.000 1.000 454 L CA -0.528 54.391 54.840 0.132 0.000 0.819 454 L CB 1.733 43.860 42.059 0.114 0.000 1.284 454 L HN 0.475 nan 8.230 nan 0.000 0.418 455 L N 3.899 125.295 121.223 0.288 0.000 2.365 455 L HA 0.617 4.955 4.340 -0.003 0.000 0.273 455 L C -1.064 176.039 176.870 0.389 0.000 1.000 455 L CA -0.587 54.472 54.840 0.366 0.000 0.819 455 L CB 2.267 44.561 42.059 0.392 0.000 1.284 455 L HN 0.399 nan 8.230 nan 0.000 0.418 456 I N 2.487 123.210 120.570 0.255 0.000 2.439 456 I HA 0.224 4.392 4.170 -0.003 0.000 0.283 456 I C -0.875 175.339 176.117 0.161 0.000 1.023 456 I CA -0.206 61.222 61.300 0.212 0.000 1.100 456 I CB 1.353 39.376 38.000 0.038 0.000 1.238 456 I HN 0.356 nan 8.210 nan 0.000 0.445 457 Y N 5.615 126.001 120.300 0.144 0.000 2.556 457 Y HA 0.316 4.864 4.550 -0.003 0.000 0.352 457 Y C 0.002 175.755 175.900 -0.246 0.000 1.006 457 Y CA -0.286 57.780 58.100 -0.056 0.000 1.277 457 Y CB 0.415 38.859 38.460 -0.027 0.000 1.136 457 Y HN 0.507 nan 8.280 nan 0.000 0.523 458 D N 8.955 128.906 120.400 -0.748 0.000 2.396 458 D HA 0.203 4.842 4.640 -0.003 0.000 0.225 458 D C -1.853 174.057 176.300 -0.649 0.000 1.121 458 D CA -2.649 50.784 54.000 -0.945 0.000 0.853 458 D CB 1.662 41.792 40.800 -1.117 0.000 1.043 458 D HN 0.315 nan 8.370 nan 0.000 0.500 459 P HA -0.093 nan 4.420 nan 0.000 0.225 459 P C 0.338 177.574 177.300 -0.107 0.000 1.148 459 P CA 0.802 63.886 63.100 -0.027 0.000 0.779 459 P CB 0.379 32.216 31.700 0.230 0.000 0.780 460 K N -0.306 120.007 120.400 -0.145 0.000 2.373 460 K HA 0.126 4.445 4.320 -0.003 0.000 0.202 460 K C 0.716 177.202 176.600 -0.191 0.000 1.025 460 K CA -0.205 56.007 56.287 -0.124 0.000 1.115 460 K CB 0.533 32.997 32.500 -0.060 0.000 0.858 460 K HN 0.212 nan 8.250 nan 0.000 0.525 461 E N 2.557 122.594 120.200 -0.272 0.000 2.360 461 E HA 0.010 4.358 4.350 -0.003 0.000 0.269 461 E C -0.491 175.942 176.600 -0.278 0.000 1.022 461 E CA -0.052 56.148 56.400 -0.333 0.000 0.887 461 E CB 0.728 30.167 29.700 -0.435 0.000 0.990 461 E HN 0.075 nan 8.360 nan 0.000 0.426 462 T N 0.875 115.222 114.554 -0.344 0.000 2.925 462 T HA 0.514 4.862 4.350 -0.003 0.000 0.285 462 T C -0.493 174.007 174.700 -0.333 0.000 1.021 462 T CA -0.750 61.228 62.100 -0.203 0.000 1.042 462 T CB 0.601 69.372 68.868 -0.162 0.000 1.037 462 T HN 0.274 nan 8.240 nan 0.000 0.481 463 F N 1.340 121.315 119.950 0.042 0.000 2.532 463 F HA 0.460 4.986 4.527 -0.001 0.000 0.365 463 F C 0.780 176.614 175.800 0.058 0.000 1.112 463 F CA -0.902 57.070 58.000 -0.047 0.000 1.082 463 F CB 1.532 40.406 39.000 -0.210 0.000 1.319 463 F HN 0.695 nan 8.300 nan 0.000 0.457 464 S N 1.571 117.333 115.700 0.102 0.000 2.488 464 S HA 0.296 4.765 4.470 -0.003 0.000 0.278 464 S C 0.722 175.305 174.600 -0.029 0.000 1.259 464 S CA 0.023 58.159 58.200 -0.106 0.000 1.061 464 S CB 0.318 63.435 63.200 -0.139 0.000 0.910 464 S HN 0.664 nan 8.310 nan 0.000 0.491 465 S N 2.507 118.188 115.700 -0.032 0.000 2.941 465 S HA 0.120 4.589 4.470 -0.003 0.000 0.251 465 S C 1.227 175.945 174.600 0.196 0.000 1.029 465 S CA 0.053 58.388 58.200 0.225 0.000 1.062 465 S CB -0.171 63.191 63.200 0.271 0.000 0.977 465 S HN 0.778 nan 8.310 nan 0.000 0.552 466 S N 1.043 116.764 115.700 0.034 0.000 2.442 466 S HA 0.047 4.516 4.470 -0.003 0.000 0.236 466 S C 1.717 176.370 174.600 0.088 0.000 1.007 466 S CA 1.022 59.233 58.200 0.019 0.000 0.965 466 S CB -0.799 62.344 63.200 -0.095 0.000 0.773 466 S HN 0.662 nan 8.310 nan 0.000 0.504 467 G N -0.721 108.166 108.800 0.146 0.000 2.986 467 G HA2 0.142 4.100 3.960 -0.003 0.000 0.213 467 G HA3 0.142 4.100 3.960 -0.003 0.000 0.213 467 G C 0.116 175.149 174.900 0.221 0.000 1.156 467 G CA -0.508 44.672 45.100 0.133 0.000 0.763 467 G HN 0.561 nan 8.290 nan 0.000 0.547 468 Y N 1.962 122.362 120.300 0.167 0.000 2.526 468 Y HA 0.366 4.914 4.550 -0.003 0.000 0.330 468 Y C 0.945 176.934 175.900 0.150 0.000 1.156 468 Y CA 0.771 58.905 58.100 0.056 0.000 1.419 468 Y CB 0.305 38.747 38.460 -0.030 0.000 1.250 468 Y HN 0.524 nan 8.280 nan 0.000 0.540 469 G N 3.427 112.034 108.800 -0.322 0.000 2.795 469 G HA2 -0.096 3.863 3.960 -0.003 0.000 0.664 469 G HA3 -0.096 3.863 3.960 -0.003 0.000 0.664 469 G C 0.542 175.439 174.900 -0.006 0.000 1.381 469 G CA -0.316 44.707 45.100 -0.128 0.000 0.853 469 G HN 1.369 nan 8.290 nan 0.000 0.545 470 G N -0.859 107.896 108.800 -0.074 0.000 2.833 470 G HA2 0.626 4.585 3.960 -0.003 0.000 0.210 470 G HA3 0.626 4.585 3.960 -0.003 0.000 0.210 470 G C 0.789 175.658 174.900 -0.052 0.000 1.139 470 G CA 1.632 46.738 45.100 0.011 0.000 0.771 470 G HN 2.205 nan 8.290 nan 0.000 0.535 471 S N -1.119 114.381 115.700 -0.334 0.000 2.656 471 S HA 0.421 4.889 4.470 -0.003 0.000 0.273 471 S C -1.220 173.133 174.600 -0.411 0.000 1.168 471 S CA -0.169 57.837 58.200 -0.324 0.000 0.817 471 S CB 1.512 64.668 63.200 -0.073 0.000 1.146 471 S HN 0.006 nan 8.310 nan 0.000 0.475 472 D N 0.900 121.196 120.400 -0.174 0.000 2.697 472 D HA -0.136 4.502 4.640 -0.003 0.000 0.235 472 D C -0.386 175.870 176.300 -0.073 0.000 1.167 472 D CA 1.304 55.266 54.000 -0.064 0.000 0.656 472 D CB -1.922 38.867 40.800 -0.020 0.000 1.025 472 D HN 0.716 nan 8.370 nan 0.000 0.419 473 H N -0.183 118.940 119.070 0.088 0.000 2.690 473 H HA 0.481 5.036 4.556 -0.003 0.000 0.365 473 H C 1.141 176.517 175.328 0.081 0.000 1.142 473 H CA 0.565 56.673 56.048 0.099 0.000 1.417 473 H CB 0.820 30.628 29.762 0.077 0.000 1.446 473 H HN 0.151 nan 8.280 nan 0.000 0.599 474 T N -0.955 113.723 114.554 0.207 0.000 2.916 474 T HA 0.156 4.505 4.350 -0.003 0.000 0.298 474 T C 0.332 175.074 174.700 0.071 0.000 1.031 474 T CA -0.991 61.185 62.100 0.128 0.000 0.993 474 T CB 1.838 70.769 68.868 0.106 0.000 1.045 474 T HN 0.386 nan 8.240 nan 0.000 0.454 475 D N 0.730 121.136 120.400 0.009 0.000 2.117 475 D HA 0.135 4.774 4.640 -0.003 0.000 0.197 475 D C -0.158 175.838 176.300 -0.506 0.000 0.987 475 D CA 1.416 55.273 54.000 -0.239 0.000 0.829 475 D CB -0.019 40.667 40.800 -0.190 0.000 0.961 475 D HN 0.575 nan 8.370 nan 0.000 0.460 476 F N -1.025 118.959 119.950 0.057 0.000 2.576 476 F HA 0.618 5.144 4.527 -0.003 0.000 0.313 476 F C 0.138 175.940 175.800 0.004 0.000 1.078 476 F CA -1.251 56.770 58.000 0.036 0.000 0.921 476 F CB 1.806 40.823 39.000 0.028 0.000 1.232 476 F HN -0.267 nan 8.300 nan 0.000 0.459 477 A N 1.168 124.075 122.820 0.145 0.000 2.299 477 A HA 0.864 5.183 4.320 -0.003 0.000 0.332 477 A C -0.460 177.066 177.584 -0.097 0.000 1.131 477 A CA -0.554 51.453 52.037 -0.051 0.000 0.844 477 A CB 0.656 19.513 19.000 -0.238 0.000 1.251 477 A HN 1.029 nan 8.150 nan 0.000 0.486 478 A N 0.516 123.216 122.820 -0.200 0.000 2.531 478 A HA 0.283 4.601 4.320 -0.003 0.000 0.236 478 A C 0.398 177.751 177.584 -0.386 0.000 1.062 478 A CA 0.321 52.253 52.037 -0.175 0.000 0.760 478 A CB -0.568 18.363 19.000 -0.115 0.000 0.995 478 A HN 0.902 nan 8.150 nan 0.000 0.501 479 N N 1.009 119.549 118.700 -0.265 0.000 2.401 479 N HA 0.190 4.929 4.740 -0.003 0.000 0.255 479 N C 0.243 175.560 175.510 -0.322 0.000 1.110 479 N CA 0.026 52.815 53.050 -0.434 0.000 0.949 479 N CB 0.561 38.932 38.487 -0.194 0.000 1.110 479 N HN 0.613 nan 8.380 nan 0.000 0.490 480 D N 2.869 122.976 120.400 -0.488 0.000 2.431 480 D HA 0.124 4.762 4.640 -0.003 0.000 0.213 480 D C 0.972 177.301 176.300 0.049 0.000 1.130 480 D CA 0.066 54.030 54.000 -0.059 0.000 0.834 480 D CB -0.247 40.459 40.800 -0.157 0.000 0.985 480 D HN 0.697 nan 8.370 nan 0.000 0.504 481 G N 0.060 108.745 108.800 -0.191 0.000 2.168 481 G HA2 -0.217 3.742 3.960 -0.003 0.000 0.257 481 G HA3 -0.217 3.742 3.960 -0.003 0.000 0.257 481 G C 0.646 175.634 174.900 0.147 0.000 0.997 481 G CA 0.425 45.493 45.100 -0.052 0.000 0.708 481 G HN 0.781 nan 8.290 nan 0.000 0.520 482 G N -1.160 107.693 108.800 0.088 0.000 2.849 482 G HA2 0.602 4.561 3.960 -0.003 0.000 0.174 482 G HA3 0.602 4.561 3.960 -0.003 0.000 0.174 482 G C 0.076 175.049 174.900 0.123 0.000 1.370 482 G CA -0.281 44.903 45.100 0.141 0.000 1.040 482 G HN 0.506 nan 8.290 nan 0.000 0.582 483 Q N -0.100 119.599 119.800 -0.169 0.000 2.260 483 Q HA 0.365 4.704 4.340 -0.003 0.000 0.242 483 Q C 0.073 176.003 176.000 -0.118 0.000 0.932 483 Q CA -0.353 55.206 55.803 -0.408 0.000 0.891 483 Q CB 1.457 29.845 28.738 -0.583 0.000 1.222 483 Q HN 0.326 nan 8.270 nan 0.000 0.453 484 R N 0.707 121.105 120.500 -0.169 0.000 2.817 484 R HA 0.054 4.392 4.340 -0.003 0.000 0.264 484 R C -0.409 175.796 176.300 -0.160 0.000 1.009 484 R CA 0.215 56.222 56.100 -0.155 0.000 1.133 484 R CB 0.087 30.271 30.300 -0.193 0.000 1.013 484 R HN 0.442 nan 8.270 nan 0.000 0.453 485 L N 3.774 124.873 121.223 -0.207 0.000 2.264 485 L HA 0.342 4.681 4.340 -0.003 0.000 0.287 485 L C -2.065 174.751 176.870 -0.091 0.000 1.039 485 L CA -2.247 52.410 54.840 -0.305 0.000 0.829 485 L CB 1.037 42.708 42.059 -0.647 0.000 1.211 485 L HN 0.316 nan 8.230 nan 0.000 0.427 486 P HA 0.401 nan 4.420 nan 0.000 0.275 486 P C 0.329 177.572 177.300 -0.096 0.000 1.266 486 P CA 0.077 63.074 63.100 -0.170 0.000 0.793 486 P CB 0.826 32.393 31.700 -0.221 0.000 1.074 487 G N -0.028 108.503 108.800 -0.448 0.000 2.760 487 G HA2 -0.198 3.760 3.960 -0.003 0.000 0.246 487 G HA3 -0.198 3.760 3.960 -0.003 0.000 0.246 487 G C -0.990 173.913 174.900 0.005 0.000 1.359 487 G CA -0.731 44.315 45.100 -0.090 0.000 0.861 487 G HN 0.560 nan 8.290 nan 0.000 0.541 488 K N 1.206 121.654 120.400 0.080 0.000 2.110 488 K HA 0.449 4.767 4.320 -0.003 0.000 0.260 488 K C 1.134 177.776 176.600 0.071 0.000 1.126 488 K CA 0.748 57.062 56.287 0.046 0.000 1.005 488 K CB 0.064 32.589 32.500 0.042 0.000 1.336 488 K HN 2.145 nan 8.250 nan 0.000 0.369 489 G N 2.744 111.583 108.800 0.065 0.000 2.289 489 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.280 489 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.280 489 G C -0.328 174.751 174.900 0.299 0.000 1.089 489 G CA -0.224 44.938 45.100 0.103 0.000 0.939 489 G HN 0.815 nan 8.290 nan 0.000 0.499 490 W N -2.466 118.869 121.300 0.058 0.000 4.926 490 W HA -0.102 4.557 4.660 -0.001 0.000 0.401 490 W C -0.735 175.902 176.519 0.197 0.000 1.555 490 W CA -0.037 57.388 57.345 0.134 0.000 0.877 490 W CB -1.622 27.927 29.460 0.147 0.000 2.743 490 W HN 0.891 nan 8.180 nan 0.000 1.328 491 I N 1.542 122.274 120.570 0.271 0.000 2.619 491 I HA 0.717 4.886 4.170 -0.003 0.000 0.292 491 I C 0.596 176.829 176.117 0.193 0.000 1.100 491 I CA -1.080 60.304 61.300 0.141 0.000 1.043 491 I CB 1.461 39.523 38.000 0.103 0.000 1.239 491 I HN 0.170 nan 8.210 nan 0.000 0.420 492 A N 8.884 131.761 122.820 0.095 0.000 2.466 492 A HA 0.599 4.917 4.320 -0.003 0.000 0.238 492 A C -2.378 175.191 177.584 -0.025 0.000 1.074 492 A CA -0.623 51.432 52.037 0.030 0.000 0.774 492 A CB -0.777 18.201 19.000 -0.037 0.000 1.015 492 A HN 0.551 nan 8.150 nan 0.000 0.498 493 P HA 0.169 nan 4.420 nan 0.000 0.277 493 P C 0.481 177.681 177.300 -0.166 0.000 1.271 493 P CA -0.440 62.547 63.100 -0.189 0.000 0.795 493 P CB 0.773 32.201 31.700 -0.455 0.000 1.101 494 R N 0.274 120.700 120.500 -0.123 0.000 2.062 494 R HA -0.047 4.291 4.340 -0.003 0.000 0.226 494 R C 0.197 176.405 176.300 -0.152 0.000 1.125 494 R CA 1.579 57.615 56.100 -0.107 0.000 0.966 494 R CB -0.076 30.182 30.300 -0.070 0.000 0.861 494 R HN 0.661 nan 8.270 nan 0.000 0.433 495 D N -1.909 118.382 120.400 -0.183 0.000 2.752 495 D HA -0.010 4.628 4.640 -0.003 0.000 0.313 495 D C 0.507 176.635 176.300 -0.286 0.000 1.225 495 D CA -0.707 53.166 54.000 -0.211 0.000 0.976 495 D CB 0.153 40.853 40.800 -0.166 0.000 1.443 495 D HN -0.050 nan 8.370 nan 0.000 0.515 496 L N 0.440 121.472 121.223 -0.318 0.000 2.079 496 L HA -0.044 4.295 4.340 -0.003 0.000 0.210 496 L C 2.161 178.780 176.870 -0.420 0.000 1.081 496 L CA 2.044 56.599 54.840 -0.475 0.000 0.752 496 L CB -0.712 41.035 42.059 -0.521 0.000 0.896 496 L HN 0.627 nan 8.230 nan 0.000 0.433 497 K N -0.523 119.705 120.400 -0.286 0.000 2.001 497 K HA -0.285 4.034 4.320 -0.003 0.000 0.214 497 K C 2.216 178.708 176.600 -0.179 0.000 1.050 497 K CA 2.203 58.364 56.287 -0.210 0.000 0.934 497 K CB -0.279 32.133 32.500 -0.146 0.000 0.718 497 K HN 0.481 nan 8.250 nan 0.000 0.443 498 E N 0.213 120.317 120.200 -0.161 0.000 2.106 498 E HA -0.217 4.131 4.350 -0.003 0.000 0.192 498 E C 2.057 178.598 176.600 -0.099 0.000 0.984 498 E CA 1.136 57.476 56.400 -0.100 0.000 0.806 498 E CB -0.028 29.623 29.700 -0.082 0.000 0.750 498 E HN 0.357 nan 8.360 nan 0.000 0.458 499 M N 0.397 119.833 119.600 -0.272 0.000 2.086 499 M HA -0.186 4.292 4.480 -0.003 0.000 0.261 499 M C 1.982 178.199 176.300 -0.139 0.000 1.067 499 M CA 1.450 56.520 55.300 -0.384 0.000 1.116 499 M CB 0.009 32.194 32.600 -0.692 0.000 1.348 499 M HN 0.152 nan 8.290 nan 0.000 0.407 500 L N -0.118 120.948 121.223 -0.263 0.000 2.201 500 L HA -0.070 4.268 4.340 -0.003 0.000 0.212 500 L C 2.330 179.192 176.870 -0.012 0.000 1.105 500 L CA 0.809 55.548 54.840 -0.168 0.000 0.775 500 L CB -0.698 41.189 42.059 -0.285 0.000 0.913 500 L HN 0.409 nan 8.230 nan 0.000 0.440 501 A N -0.412 122.398 122.820 -0.017 0.000 2.275 501 A HA 0.337 4.656 4.320 -0.003 0.000 0.212 501 A C 1.245 178.859 177.584 0.049 0.000 1.201 501 A CA 0.554 52.596 52.037 0.008 0.000 0.843 501 A CB -0.365 18.625 19.000 -0.017 0.000 0.873 501 A HN 0.352 nan 8.150 nan 0.000 0.492 502 G N -0.139 108.740 108.800 0.132 0.000 2.782 502 G HA2 0.412 4.370 3.960 -0.003 0.000 0.201 502 G HA3 0.412 4.370 3.960 -0.003 0.000 0.201 502 G C -0.382 174.504 174.900 -0.022 0.000 1.374 502 G CA 0.390 45.553 45.100 0.104 0.000 1.039 502 G HN 0.260 nan 8.290 nan 0.000 0.576 503 D N -0.924 119.289 120.400 -0.311 0.000 3.035 503 D HA 0.215 4.853 4.640 -0.003 0.000 0.290 503 D C -0.027 176.022 176.300 -0.418 0.000 1.360 503 D CA -0.500 53.310 54.000 -0.317 0.000 0.862 503 D CB -0.111 40.500 40.800 -0.315 0.000 1.078 503 D HN 0.187 nan 8.370 nan 0.000 0.487 504 F N -0.114 119.836 119.950 0.000 0.000 2.749 504 F HA 0.236 4.763 4.527 -0.001 0.000 0.300 504 F C 1.301 177.083 175.800 -0.030 0.000 1.103 504 F CA -0.761 57.249 58.000 0.017 0.000 1.342 504 F CB 0.231 39.242 39.000 0.018 0.000 1.098 504 F HN -0.121 nan 8.300 nan 0.000 0.586 505 R N 1.344 121.809 120.500 -0.058 0.000 2.421 505 R HA 0.076 4.414 4.340 -0.003 0.000 0.305 505 R C 0.947 177.089 176.300 -0.264 0.000 1.039 505 R CA 0.936 56.727 56.100 -0.514 0.000 1.003 505 R CB 0.254 30.292 30.300 -0.436 0.000 0.959 505 R HN 0.219 nan 8.270 nan 0.000 0.427 506 T N 0.164 114.573 114.554 -0.242 0.000 3.004 506 T HA 0.397 4.745 4.350 -0.003 0.000 0.266 506 T C 0.507 175.170 174.700 -0.062 0.000 0.986 506 T CA 0.095 62.131 62.100 -0.107 0.000 0.902 506 T CB 0.688 69.530 68.868 -0.043 0.000 1.118 506 T HN 0.568 nan 8.240 nan 0.000 0.522 507 G N 0.393 109.134 108.800 -0.098 0.000 2.559 507 G HA2 0.550 4.508 3.960 -0.003 0.000 0.291 507 G HA3 0.550 4.508 3.960 -0.003 0.000 0.291 507 G C -2.384 172.496 174.900 -0.033 0.000 1.424 507 G CA -0.934 44.156 45.100 -0.017 0.000 0.786 507 G HN 0.330 nan 8.290 nan 0.000 0.485 508 K N 0.391 120.808 120.400 0.027 0.000 2.565 508 K HA 0.571 4.889 4.320 -0.003 0.000 0.249 508 K C -0.822 175.823 176.600 0.075 0.000 0.958 508 K CA -0.702 55.606 56.287 0.036 0.000 0.806 508 K CB 1.000 33.518 32.500 0.029 0.000 1.194 508 K HN 0.453 nan 8.250 nan 0.000 0.434 509 I N 6.713 127.333 120.570 0.085 0.000 2.517 509 I HA 0.021 4.190 4.170 -0.003 0.000 0.285 509 I C 0.899 177.069 176.117 0.089 0.000 1.106 509 I CA 0.108 61.474 61.300 0.109 0.000 1.402 509 I CB 0.450 38.531 38.000 0.136 0.000 1.399 509 I HN 0.609 nan 8.210 nan 0.000 0.535 510 L N 6.135 127.411 121.223 0.089 0.000 2.286 510 L HA 0.421 4.759 4.340 -0.003 0.000 0.203 510 L C 0.865 177.786 176.870 0.085 0.000 1.068 510 L CA 0.264 55.157 54.840 0.089 0.000 0.811 510 L CB -0.018 42.105 42.059 0.107 0.000 0.989 510 L HN 0.755 nan 8.230 nan 0.000 0.467 511 A N -0.027 122.821 122.820 0.048 0.000 2.612 511 A HA 0.683 5.002 4.320 -0.003 0.000 0.293 511 A C -1.781 175.706 177.584 -0.160 0.000 1.075 511 A CA -0.412 51.645 52.037 0.033 0.000 0.680 511 A CB 1.817 20.954 19.000 0.229 0.000 1.279 511 A HN 0.131 nan 8.150 nan 0.000 0.411 512 Q N -0.446 119.271 119.800 -0.138 0.000 2.702 512 Q HA 0.754 5.093 4.340 -0.003 0.000 0.289 512 Q C -0.476 175.473 176.000 -0.086 0.000 0.923 512 Q CA -0.174 55.469 55.803 -0.266 0.000 0.787 512 Q CB 0.837 29.244 28.738 -0.552 0.000 1.476 512 Q HN 2.530 nan 8.270 nan 0.000 0.402 513 G N 0.028 108.807 108.800 -0.034 0.000 2.358 513 G HA2 0.476 4.435 3.960 -0.003 0.000 0.303 513 G HA3 0.476 4.435 3.960 -0.003 0.000 0.303 513 G C -1.901 173.075 174.900 0.128 0.000 1.537 513 G CA -0.417 44.660 45.100 -0.038 0.000 0.928 513 G HN 1.214 nan 8.290 nan 0.000 0.656 514 F N -0.726 119.192 119.950 -0.052 0.000 2.613 514 F HA 0.995 5.520 4.527 -0.003 0.000 0.310 514 F C 0.394 175.894 175.800 -0.501 0.000 1.085 514 F CA -0.645 57.157 58.000 -0.329 0.000 0.945 514 F CB 1.744 40.627 39.000 -0.195 0.000 1.298 514 F HN 1.596 nan 8.300 nan 0.000 0.455 515 G N 0.375 108.733 108.800 -0.737 0.000 2.356 515 G HA2 0.381 4.339 3.960 -0.003 0.000 0.281 515 G HA3 0.381 4.339 3.960 -0.003 0.000 0.281 515 G C -2.965 171.568 174.900 -0.612 0.000 1.246 515 G CA -0.434 44.375 45.100 -0.486 0.000 0.889 515 G HN 0.394 nan 8.290 nan 0.000 0.486 516 P HA 0.076 nan 4.420 nan 0.000 0.221 516 P C 0.040 177.263 177.300 -0.128 0.000 1.150 516 P CA 1.070 63.991 63.100 -0.298 0.000 0.800 516 P CB 0.135 31.628 31.700 -0.345 0.000 0.787 517 D N -0.415 119.933 120.400 -0.087 0.000 2.210 517 D HA 0.025 4.664 4.640 -0.003 0.000 0.249 517 D C 1.094 177.429 176.300 0.059 0.000 1.078 517 D CA -0.432 53.566 54.000 -0.003 0.000 0.875 517 D CB 0.522 41.329 40.800 0.012 0.000 1.175 517 D HN -0.263 nan 8.370 nan 0.000 0.440 518 N N 2.554 121.316 118.700 0.103 0.000 2.120 518 N HA -0.235 4.503 4.740 -0.003 0.000 0.188 518 N C 1.377 176.987 175.510 0.167 0.000 1.024 518 N CA 1.531 54.713 53.050 0.221 0.000 0.852 518 N CB 0.124 38.713 38.487 0.171 0.000 1.003 518 N HN 0.362 nan 8.380 nan 0.000 0.424 519 Q N -0.357 119.504 119.800 0.103 0.000 2.016 519 Q HA 0.008 4.346 4.340 -0.003 0.000 0.200 519 Q C -0.008 176.026 176.000 0.057 0.000 0.978 519 Q CA 1.677 57.533 55.803 0.087 0.000 0.833 519 Q CB -0.113 28.674 28.738 0.082 0.000 0.895 519 Q HN 0.439 nan 8.270 nan 0.000 0.427 520 T N -1.019 113.559 114.554 0.040 0.000 3.410 520 T HA 0.450 4.799 4.350 -0.003 0.000 0.328 520 T C -2.794 171.905 174.700 -0.002 0.000 1.567 520 T CA -1.849 60.263 62.100 0.020 0.000 1.626 520 T CB 1.057 69.947 68.868 0.037 0.000 0.939 520 T HN 0.049 nan 8.240 nan 0.000 0.656 521 P HA 0.192 nan 4.420 nan 0.000 0.267 521 P C 0.166 177.436 177.300 -0.050 0.000 1.205 521 P CA 0.041 63.096 63.100 -0.076 0.000 0.765 521 P CB 0.959 32.611 31.700 -0.081 0.000 0.828 522 D N 1.510 121.872 120.400 -0.064 0.000 2.178 522 D HA -0.090 4.548 4.640 -0.003 0.000 0.201 522 D C 0.705 177.081 176.300 0.126 0.000 0.980 522 D CA 1.831 55.856 54.000 0.042 0.000 0.842 522 D CB -0.193 40.669 40.800 0.104 0.000 0.948 522 D HN 0.570 nan 8.370 nan 0.000 0.472 523 Y N -2.108 118.239 120.300 0.078 0.000 2.581 523 Y HA 0.658 5.206 4.550 -0.002 0.000 0.345 523 Y C -0.941 175.110 175.900 0.252 0.000 1.036 523 Y CA -1.170 57.015 58.100 0.142 0.000 1.042 523 Y CB 1.269 39.785 38.460 0.093 0.000 1.289 523 Y HN -0.415 nan 8.280 nan 0.000 0.471 524 T N 3.241 118.091 114.554 0.492 0.000 2.881 524 T HA 0.322 4.671 4.350 -0.003 0.000 0.291 524 T C -2.150 172.898 174.700 0.580 0.000 0.990 524 T CA -0.506 61.864 62.100 0.450 0.000 0.976 524 T CB 0.604 69.639 68.868 0.279 0.000 0.970 524 T HN 0.658 nan 8.240 nan 0.000 0.438 525 Y N 3.993 124.546 120.300 0.421 0.000 2.393 525 Y HA 0.805 5.353 4.550 -0.004 0.000 0.341 525 Y C -1.724 174.350 175.900 0.289 0.000 0.988 525 Y CA -1.822 56.496 58.100 0.363 0.000 1.078 525 Y CB 1.238 39.893 38.460 0.324 0.000 1.203 525 Y HN 0.591 nan 8.280 nan 0.000 0.453 526 L N 6.192 127.277 121.223 -0.230 0.000 2.526 526 L HA 0.567 4.905 4.340 -0.003 0.000 0.263 526 L C -1.919 174.889 176.870 -0.103 0.000 0.943 526 L CA -0.604 54.114 54.840 -0.203 0.000 0.859 526 L CB 2.008 44.137 42.059 0.117 0.000 1.313 526 L HN 0.731 nan 8.230 nan 0.000 0.406 527 K N 3.092 123.390 120.400 -0.170 0.000 2.482 527 K HA 0.877 5.195 4.320 -0.003 0.000 0.251 527 K C -1.110 175.566 176.600 0.127 0.000 0.936 527 K CA -0.457 55.859 56.287 0.047 0.000 0.791 527 K CB 2.034 34.574 32.500 0.067 0.000 1.213 527 K HN 0.861 nan 8.250 nan 0.000 0.428 528 G N 1.770 110.675 108.800 0.175 0.000 2.612 528 G HA2 0.236 4.194 3.960 -0.003 0.000 0.298 528 G HA3 0.236 4.194 3.960 -0.003 0.000 0.298 528 G C -1.715 173.260 174.900 0.126 0.000 1.336 528 G CA -0.448 44.750 45.100 0.164 0.000 0.953 528 G HN 0.582 nan 8.290 nan 0.000 0.482 529 D N 1.328 121.790 120.400 0.104 0.000 2.317 529 D HA 0.221 4.860 4.640 -0.003 0.000 0.234 529 D C 1.066 177.422 176.300 0.092 0.000 1.112 529 D CA -0.519 53.531 54.000 0.083 0.000 0.840 529 D CB 1.182 42.020 40.800 0.064 0.000 1.078 529 D HN 0.388 nan 8.370 nan 0.000 0.486 530 I N 0.968 121.609 120.570 0.119 0.000 3.816 530 I HA 0.158 4.327 4.170 -0.003 0.000 0.334 530 I C 0.956 177.193 176.117 0.200 0.000 1.551 530 I CA -0.539 60.851 61.300 0.150 0.000 1.153 530 I CB 0.281 38.402 38.000 0.202 0.000 1.197 530 I HN 0.005 nan 8.210 nan 0.000 0.439 531 T N 1.651 116.286 114.554 0.135 0.000 2.699 531 T HA -0.185 4.164 4.350 -0.003 0.000 0.268 531 T C 2.045 176.829 174.700 0.140 0.000 1.036 531 T CA 2.026 64.207 62.100 0.134 0.000 1.147 531 T CB -0.086 68.815 68.868 0.056 0.000 0.862 531 T HN 0.649 nan 8.240 nan 0.000 0.446 532 A N 0.929 123.786 122.820 0.062 0.000 2.172 532 A HA 0.365 4.683 4.320 -0.003 0.000 0.216 532 A C 2.458 180.026 177.584 -0.027 0.000 1.154 532 A CA 1.272 53.310 52.037 0.001 0.000 0.701 532 A CB -0.690 18.279 19.000 -0.050 0.000 0.789 532 A HN 0.508 nan 8.150 nan 0.000 0.465 533 A N -1.505 121.307 122.820 -0.013 0.000 2.067 533 A HA 0.306 4.625 4.320 -0.003 0.000 0.217 533 A C 0.736 178.131 177.584 -0.316 0.000 1.156 533 A CA 0.451 52.380 52.037 -0.181 0.000 0.683 533 A CB -0.240 18.604 19.000 -0.260 0.000 0.808 533 A HN 0.478 nan 8.150 nan 0.000 0.455 534 Y N -0.373 119.904 120.300 -0.039 0.000 2.596 534 Y HA 0.465 5.014 4.550 -0.001 0.000 0.326 534 Y C 1.327 177.173 175.900 -0.090 0.000 1.167 534 Y CA -0.425 57.643 58.100 -0.053 0.000 1.246 534 Y CB 0.857 39.300 38.460 -0.028 0.000 1.347 534 Y HN 0.175 nan 8.280 nan 0.000 0.515 535 S N 0.151 115.878 115.700 0.045 0.000 2.596 535 S HA 0.389 4.858 4.470 -0.003 0.000 0.262 535 S C 1.117 175.705 174.600 -0.019 0.000 1.218 535 S CA -0.201 57.962 58.200 -0.061 0.000 0.998 535 S CB 0.219 63.317 63.200 -0.171 0.000 1.060 535 S HN 0.796 nan 8.310 nan 0.000 0.552 536 A N 0.163 122.957 122.820 -0.044 0.000 2.235 536 A HA 0.062 4.381 4.320 -0.003 0.000 0.208 536 A C 1.963 179.561 177.584 0.023 0.000 1.172 536 A CA 0.787 52.817 52.037 -0.011 0.000 0.786 536 A CB -0.995 17.994 19.000 -0.018 0.000 0.804 536 A HN 0.878 nan 8.150 nan 0.000 0.479 537 K N -0.039 120.360 120.400 -0.001 0.000 2.362 537 K HA 0.003 4.322 4.320 -0.003 0.000 0.200 537 K C 0.353 177.031 176.600 0.130 0.000 1.046 537 K CA 1.216 57.535 56.287 0.054 0.000 0.952 537 K CB -0.740 31.626 32.500 -0.222 0.000 0.753 537 K HN 0.400 nan 8.250 nan 0.000 0.466 538 V N -2.087 117.853 119.914 0.044 0.000 2.960 538 V HA 0.380 4.499 4.120 -0.003 0.000 0.315 538 V C 0.326 176.423 176.094 0.005 0.000 1.087 538 V CA -1.184 61.122 62.300 0.009 0.000 0.982 538 V CB 2.106 33.877 31.823 -0.088 0.000 1.039 538 V HN -0.094 nan 8.190 nan 0.000 0.437 539 K N 0.485 120.878 120.400 -0.012 0.000 2.335 539 K HA 0.364 4.682 4.320 -0.003 0.000 0.195 539 K C 0.226 176.815 176.600 -0.018 0.000 1.058 539 K CA 0.596 56.876 56.287 -0.011 0.000 0.988 539 K CB 0.981 33.472 32.500 -0.016 0.000 0.880 539 K HN 0.919 nan 8.250 nan 0.000 0.513 540 E N 0.477 120.652 120.200 -0.041 0.000 2.343 540 E HA 0.231 4.579 4.350 -0.003 0.000 0.286 540 E C -1.850 174.704 176.600 -0.077 0.000 0.915 540 E CA -0.337 56.037 56.400 -0.043 0.000 0.784 540 E CB 2.021 31.695 29.700 -0.044 0.000 1.251 540 E HN -0.254 nan 8.360 nan 0.000 0.407 541 V N 4.630 124.514 119.914 -0.050 0.000 2.462 541 V HA 0.441 4.560 4.120 -0.003 0.000 0.288 541 V C -0.590 175.498 176.094 -0.009 0.000 1.020 541 V CA -0.760 61.501 62.300 -0.065 0.000 0.857 541 V CB 1.526 33.288 31.823 -0.102 0.000 1.013 541 V HN 0.554 nan 8.190 nan 0.000 0.431 542 K N 3.570 123.943 120.400 -0.044 0.000 2.318 542 K HA 0.803 5.122 4.320 -0.003 0.000 0.249 542 K C -0.664 175.898 176.600 -0.063 0.000 0.942 542 K CA -0.953 55.321 56.287 -0.021 0.000 0.808 542 K CB 3.112 35.603 32.500 -0.016 0.000 1.189 542 K HN 0.611 nan 8.250 nan 0.000 0.428 543 R N 1.026 121.501 120.500 -0.043 0.000 2.538 543 R HA 0.328 4.666 4.340 -0.003 0.000 0.292 543 R C -1.464 174.737 176.300 -0.164 0.000 1.008 543 R CA -0.360 55.643 56.100 -0.160 0.000 0.896 543 R CB 1.633 31.806 30.300 -0.212 0.000 1.187 543 R HN 0.568 nan 8.270 nan 0.000 0.440 544 S N 4.521 120.123 115.700 -0.164 0.000 2.498 544 S HA 0.492 4.961 4.470 -0.003 0.000 0.317 544 S C -1.115 173.494 174.600 0.014 0.000 1.090 544 S CA -0.499 57.745 58.200 0.072 0.000 1.089 544 S CB 0.524 63.935 63.200 0.351 0.000 0.997 544 S HN 0.387 nan 8.310 nan 0.000 0.470 545 F N 2.435 122.551 119.950 0.277 0.000 2.408 545 F HA 0.596 5.122 4.527 -0.001 0.000 0.344 545 F C 0.016 176.067 175.800 0.418 0.000 1.112 545 F CA -0.917 57.252 58.000 0.281 0.000 1.096 545 F CB 0.895 40.029 39.000 0.224 0.000 1.129 545 F HN 0.337 nan 8.300 nan 0.000 0.486 546 L N 5.116 126.676 121.223 0.561 0.000 2.471 546 L HA 0.431 4.770 4.340 -0.003 0.000 0.263 546 L C -1.297 175.801 176.870 0.380 0.000 0.985 546 L CA -0.564 54.577 54.840 0.500 0.000 0.868 546 L CB 0.551 42.849 42.059 0.398 0.000 1.203 546 L HN 0.573 nan 8.230 nan 0.000 0.429 547 F N 5.194 125.302 119.950 0.263 0.000 2.412 547 F HA 0.565 5.090 4.527 -0.003 0.000 0.348 547 F C -1.000 174.893 175.800 0.155 0.000 1.102 547 F CA -0.203 57.898 58.000 0.170 0.000 1.196 547 F CB 0.752 39.832 39.000 0.134 0.000 1.144 547 F HN 0.265 nan 8.300 nan 0.000 0.541 548 L N 5.994 126.809 121.223 -0.679 0.000 2.319 548 L HA 0.277 4.616 4.340 -0.003 0.000 0.281 548 L C -0.515 175.939 176.870 -0.693 0.000 1.005 548 L CA -0.908 53.669 54.840 -0.439 0.000 0.828 548 L CB 1.302 43.208 42.059 -0.256 0.000 1.227 548 L HN 0.580 nan 8.230 nan 0.000 0.415 549 N N 3.992 122.536 118.700 -0.260 0.000 2.415 549 N HA 0.151 4.889 4.740 -0.003 0.000 0.250 549 N C 0.546 176.003 175.510 -0.089 0.000 1.127 549 N CA 0.037 53.029 53.050 -0.097 0.000 0.945 549 N CB 0.808 39.356 38.487 0.101 0.000 1.196 549 N HN 0.616 nan 8.380 nan 0.000 0.499 550 L N 2.645 123.790 121.223 -0.131 0.000 2.610 550 L HA 0.057 4.396 4.340 -0.003 0.000 0.232 550 L C 0.619 177.459 176.870 -0.049 0.000 1.149 550 L CA 0.057 54.833 54.840 -0.107 0.000 0.872 550 L CB -0.312 41.666 42.059 -0.136 0.000 0.992 550 L HN 0.473 nan 8.230 nan 0.000 0.447 551 K N 1.690 122.077 120.400 -0.021 0.000 3.730 551 K HA -0.228 4.091 4.320 -0.003 0.000 0.276 551 K C -0.508 176.097 176.600 0.009 0.000 0.904 551 K CA 0.754 57.044 56.287 0.005 0.000 0.741 551 K CB -1.595 30.913 32.500 0.013 0.000 1.542 551 K HN 0.381 nan 8.250 nan 0.000 0.446 552 D N -1.504 118.903 120.400 0.012 0.000 2.927 552 D HA 0.479 5.117 4.640 -0.003 0.000 0.219 552 D C 0.469 176.786 176.300 0.027 0.000 1.248 552 D CA 0.121 54.137 54.000 0.027 0.000 0.861 552 D CB 1.666 42.494 40.800 0.047 0.000 1.677 552 D HN 0.046 nan 8.370 nan 0.000 0.511 553 A N 3.785 126.625 122.820 0.034 0.000 1.854 553 A HA -0.053 4.265 4.320 -0.003 0.000 0.214 553 A C 1.775 179.377 177.584 0.031 0.000 1.192 553 A CA 1.382 53.442 52.037 0.038 0.000 0.611 553 A CB -0.240 18.784 19.000 0.039 0.000 0.832 553 A HN 0.545 nan 8.150 nan 0.000 0.442 554 K N -0.637 119.776 120.400 0.021 0.000 2.020 554 K HA -0.042 4.276 4.320 -0.003 0.000 0.212 554 K C 0.158 176.755 176.600 -0.005 0.000 1.050 554 K CA 1.398 57.686 56.287 0.002 0.000 0.929 554 K CB -0.184 32.295 32.500 -0.034 0.000 0.714 554 K HN 0.258 nan 8.250 nan 0.000 0.443 555 V N 2.112 122.035 119.914 0.015 0.000 2.320 555 V HA 0.143 4.261 4.120 -0.003 0.000 0.268 555 V C -2.021 174.054 176.094 -0.032 0.000 1.021 555 V CA -1.241 61.061 62.300 0.004 0.000 0.813 555 V CB 1.290 33.184 31.823 0.120 0.000 1.054 555 V HN 0.097 nan 8.190 nan 0.000 0.444 556 P HA -0.036 nan 4.420 nan 0.000 0.216 556 P C 0.488 177.708 177.300 -0.134 0.000 1.150 556 P CA 1.398 64.430 63.100 -0.114 0.000 0.837 556 P CB 0.771 32.361 31.700 -0.185 0.000 0.786 557 A N -1.523 121.184 122.820 -0.188 0.000 2.609 557 A HA 0.742 5.061 4.320 -0.003 0.000 0.291 557 A C -1.612 175.816 177.584 -0.260 0.000 1.096 557 A CA -0.121 51.749 52.037 -0.278 0.000 0.684 557 A CB 1.513 20.378 19.000 -0.224 0.000 1.282 557 A HN 0.174 nan 8.150 nan 0.000 0.412 558 A N 0.427 123.011 122.820 -0.393 0.000 2.572 558 A HA 0.820 5.138 4.320 -0.003 0.000 0.295 558 A C -0.976 176.458 177.584 -0.250 0.000 1.072 558 A CA -0.215 51.685 52.037 -0.229 0.000 0.691 558 A CB 1.470 20.372 19.000 -0.163 0.000 1.291 558 A HN 1.571 nan 8.150 nan 0.000 0.404 559 M N 2.304 121.871 119.600 -0.055 0.000 2.259 559 M HA 0.650 5.129 4.480 -0.003 0.000 0.304 559 M C -1.987 174.339 176.300 0.043 0.000 1.019 559 M CA -0.568 54.759 55.300 0.046 0.000 0.922 559 M CB 1.076 33.758 32.600 0.137 0.000 1.600 559 M HN 0.619 nan 8.290 nan 0.000 0.433 560 I N 4.969 125.601 120.570 0.104 0.000 2.377 560 I HA 0.478 4.647 4.170 -0.003 0.000 0.293 560 I C -0.936 175.265 176.117 0.139 0.000 0.987 560 I CA -0.844 60.528 61.300 0.120 0.000 1.185 560 I CB 1.829 39.939 38.000 0.183 0.000 1.341 560 I HN 0.364 nan 8.210 nan 0.000 0.455 561 V N 6.678 126.628 119.914 0.059 0.000 2.443 561 V HA 0.354 4.472 4.120 -0.003 0.000 0.293 561 V C -0.889 175.209 176.094 0.006 0.000 1.021 561 V CA -0.638 61.670 62.300 0.014 0.000 0.848 561 V CB 1.677 33.527 31.823 0.045 0.000 0.998 561 V HN 0.431 nan 8.190 nan 0.000 0.424 562 F N 4.426 124.163 119.950 -0.355 0.000 2.449 562 F HA 0.687 5.213 4.527 -0.002 0.000 0.342 562 F C -0.411 175.264 175.800 -0.208 0.000 1.127 562 F CA -0.865 56.865 58.000 -0.450 0.000 0.975 562 F CB 1.237 39.515 39.000 -1.204 0.000 1.146 562 F HN 0.478 nan 8.300 nan 0.000 0.444 563 D N 5.407 125.529 120.400 -0.463 0.000 2.498 563 D HA 0.242 4.881 4.640 -0.003 0.000 0.247 563 D C -1.102 174.930 176.300 -0.446 0.000 1.070 563 D CA -0.538 53.276 54.000 -0.311 0.000 0.842 563 D CB 2.431 43.285 40.800 0.090 0.000 1.361 563 D HN 0.494 nan 8.370 nan 0.000 0.484 564 K N 1.544 121.707 120.400 -0.395 0.000 2.358 564 K HA 0.515 4.834 4.320 -0.003 0.000 0.260 564 K C -1.585 174.813 176.600 -0.336 0.000 0.956 564 K CA -0.622 55.372 56.287 -0.489 0.000 0.834 564 K CB 1.222 33.521 32.500 -0.334 0.000 1.102 564 K HN 0.138 nan 8.250 nan 0.000 0.431 565 V N 4.589 124.274 119.914 -0.381 0.000 2.525 565 V HA 0.331 4.449 4.120 -0.003 0.000 0.299 565 V C -0.828 175.121 176.094 -0.242 0.000 1.034 565 V CA -0.953 61.211 62.300 -0.227 0.000 0.863 565 V CB 1.769 33.534 31.823 -0.096 0.000 0.999 565 V HN 0.514 nan 8.190 nan 0.000 0.423 566 V N 4.338 124.147 119.914 -0.176 0.000 2.350 566 V HA 0.742 4.860 4.120 -0.003 0.000 0.285 566 V C 0.541 176.592 176.094 -0.070 0.000 1.014 566 V CA -0.461 61.760 62.300 -0.131 0.000 0.831 566 V CB 1.529 33.285 31.823 -0.111 0.000 1.000 566 V HN 0.980 nan 8.190 nan 0.000 0.433 567 A N 3.645 126.441 122.820 -0.040 0.000 2.302 567 A HA 0.589 4.907 4.320 -0.003 0.000 0.285 567 A C 1.234 178.825 177.584 0.012 0.000 1.105 567 A CA -0.187 51.874 52.037 0.039 0.000 0.816 567 A CB 0.765 19.827 19.000 0.104 0.000 1.067 567 A HN 0.776 nan 8.150 nan 0.000 0.489 568 S N 0.622 116.369 115.700 0.078 0.000 2.489 568 S HA -0.024 4.444 4.470 -0.003 0.000 0.228 568 S C 0.705 175.227 174.600 -0.129 0.000 0.995 568 S CA 0.773 58.984 58.200 0.018 0.000 0.934 568 S CB -0.191 63.069 63.200 0.101 0.000 0.771 568 S HN 0.736 nan 8.310 nan 0.000 0.522 569 N N 0.658 119.147 118.700 -0.352 0.000 2.410 569 N HA 0.270 5.008 4.740 -0.003 0.000 0.287 569 N C -2.548 172.648 175.510 -0.525 0.000 1.044 569 N CA -2.096 50.550 53.050 -0.673 0.000 0.881 569 N CB 1.939 39.529 38.487 -1.495 0.000 1.405 569 N HN -0.195 nan 8.380 nan 0.000 0.490 570 P HA -0.092 nan 4.420 nan 0.000 0.218 570 P C 0.156 177.364 177.300 -0.153 0.000 1.146 570 P CA 1.130 64.127 63.100 -0.172 0.000 0.813 570 P CB 0.510 32.134 31.700 -0.126 0.000 0.778 571 D N -1.068 119.191 120.400 -0.234 0.000 2.363 571 D HA 0.017 4.655 4.640 -0.003 0.000 0.220 571 D C 0.551 176.890 176.300 0.065 0.000 0.994 571 D CA 0.168 54.105 54.000 -0.104 0.000 0.890 571 D CB -0.515 40.224 40.800 -0.101 0.000 0.906 571 D HN 0.293 nan 8.370 nan 0.000 0.530 572 F N 1.783 121.758 119.950 0.041 0.000 2.494 572 F HA 0.075 4.602 4.527 -0.001 0.000 0.369 572 F C 1.375 177.229 175.800 0.091 0.000 1.098 572 F CA -0.660 57.391 58.000 0.084 0.000 1.154 572 F CB 0.459 39.493 39.000 0.056 0.000 1.103 572 F HN -0.466 nan 8.300 nan 0.000 0.549 573 K N 5.082 125.681 120.400 0.331 0.000 2.447 573 K HA 0.058 4.376 4.320 -0.003 0.000 0.281 573 K C -0.208 176.456 176.600 0.107 0.000 1.031 573 K CA 0.033 56.400 56.287 0.132 0.000 1.019 573 K CB 0.558 33.119 32.500 0.102 0.000 0.918 573 K HN 0.582 nan 8.250 nan 0.000 0.476 574 K N 3.458 123.825 120.400 -0.055 0.000 2.130 574 K HA 0.322 4.640 4.320 -0.003 0.000 0.268 574 K C -0.852 175.684 176.600 -0.107 0.000 0.983 574 K CA -0.470 55.864 56.287 0.078 0.000 0.893 574 K CB 0.857 33.453 32.500 0.160 0.000 1.066 574 K HN 0.279 nan 8.250 nan 0.000 0.450 575 F N 1.146 121.274 119.950 0.297 0.000 2.556 575 F HA 0.318 4.843 4.527 -0.003 0.000 0.314 575 F C -0.702 175.162 175.800 0.105 0.000 1.106 575 F CA -0.816 57.331 58.000 0.245 0.000 0.911 575 F CB 1.285 40.426 39.000 0.234 0.000 1.190 575 F HN 0.545 nan 8.300 nan 0.000 0.448 576 W N 6.139 127.391 121.300 -0.081 0.000 2.471 576 W HA 0.767 5.424 4.660 -0.004 0.000 0.318 576 W C -1.998 174.492 176.519 -0.049 0.000 1.034 576 W CA -0.741 56.403 57.345 -0.334 0.000 1.224 576 W CB 1.011 29.875 29.460 -0.994 0.000 1.335 576 W HN 0.369 nan 8.180 nan 0.000 0.452 577 L N 7.321 128.215 121.223 -0.548 0.000 2.325 577 L HA 0.616 4.954 4.340 -0.003 0.000 0.278 577 L C -0.862 175.563 176.870 -0.741 0.000 1.023 577 L CA -1.409 53.171 54.840 -0.433 0.000 0.811 577 L CB 1.392 43.316 42.059 -0.225 0.000 1.249 577 L HN 0.337 nan 8.230 nan 0.000 0.431 578 L N 3.224 124.209 121.223 -0.396 0.000 2.457 578 L HA 0.429 4.767 4.340 -0.003 0.000 0.266 578 L C -0.668 176.136 176.870 -0.110 0.000 0.979 578 L CA -0.071 54.644 54.840 -0.209 0.000 0.857 578 L CB 0.923 43.042 42.059 0.101 0.000 1.213 578 L HN 0.442 nan 8.230 nan 0.000 0.418 579 H N 2.559 121.618 119.070 -0.018 0.000 2.481 579 H HA 0.788 5.342 4.556 -0.003 0.000 0.339 579 H C -0.289 175.105 175.328 0.110 0.000 1.131 579 H CA 0.020 56.110 56.048 0.070 0.000 1.301 579 H CB 1.883 31.676 29.762 0.052 0.000 1.476 579 H HN 0.713 nan 8.280 nan 0.000 0.529 580 S N 1.504 117.364 115.700 0.266 0.000 2.596 580 S HA 0.349 4.817 4.470 -0.003 0.000 0.270 580 S C 0.709 175.444 174.600 0.226 0.000 1.155 580 S CA -0.833 57.493 58.200 0.209 0.000 0.827 580 S CB 1.064 64.359 63.200 0.159 0.000 1.130 580 S HN 0.497 nan 8.310 nan 0.000 0.467 581 I N 0.869 121.536 120.570 0.162 0.000 2.206 581 I HA 0.043 4.212 4.170 -0.003 0.000 0.239 581 I C 1.106 177.358 176.117 0.225 0.000 1.078 581 I CA 0.929 62.320 61.300 0.151 0.000 1.367 581 I CB -0.219 37.828 38.000 0.078 0.000 1.078 581 I HN 0.688 nan 8.210 nan 0.000 0.413 582 E N 0.919 121.200 120.200 0.134 0.000 2.280 582 E HA 0.180 4.528 4.350 -0.003 0.000 0.261 582 E C -0.300 176.179 176.600 -0.202 0.000 1.088 582 E CA -0.637 55.797 56.400 0.056 0.000 0.915 582 E CB 0.619 30.312 29.700 -0.013 0.000 1.141 582 E HN 0.136 nan 8.360 nan 0.000 0.433 583 Q N 2.374 121.788 119.800 -0.643 0.000 2.289 583 Q HA 0.076 4.415 4.340 -0.003 0.000 0.273 583 Q C -2.065 173.552 176.000 -0.638 0.000 1.029 583 Q CA -1.489 53.496 55.803 -1.364 0.000 0.896 583 Q CB 0.458 28.340 28.738 -1.428 0.000 1.182 583 Q HN 0.196 nan 8.270 nan 0.000 0.385 584 P HA 0.106 nan 4.420 nan 0.000 0.277 584 P C -1.214 175.959 177.300 -0.212 0.000 1.240 584 P CA -0.060 62.909 63.100 -0.217 0.000 0.798 584 P CB 0.872 32.524 31.700 -0.080 0.000 0.979 585 E N 1.443 121.572 120.200 -0.119 0.000 2.156 585 E HA 0.420 4.768 4.350 -0.003 0.000 0.279 585 E C -0.420 176.155 176.600 -0.042 0.000 0.965 585 E CA -0.583 55.763 56.400 -0.090 0.000 0.789 585 E CB 0.960 30.618 29.700 -0.069 0.000 1.098 585 E HN 0.397 nan 8.360 nan 0.000 0.397 586 I N 3.470 124.020 120.570 -0.033 0.000 2.355 586 I HA 0.266 4.434 4.170 -0.003 0.000 0.288 586 I C -0.118 175.996 176.117 -0.005 0.000 0.999 586 I CA -0.460 60.837 61.300 -0.004 0.000 1.163 586 I CB 1.032 39.039 38.000 0.012 0.000 1.316 586 I HN 0.204 nan 8.210 nan 0.000 0.454 587 K N 5.411 125.811 120.400 0.000 0.000 2.579 587 K HA 0.488 4.806 4.320 -0.003 0.000 0.225 587 K C 0.431 177.033 176.600 0.003 0.000 0.992 587 K CA -0.195 56.091 56.287 -0.001 0.000 1.018 587 K CB 1.671 34.168 32.500 -0.005 0.000 1.249 587 K HN 0.915 nan 8.250 nan 0.000 0.489 588 G N 3.254 112.057 108.800 0.005 0.000 2.574 588 G HA2 -0.395 3.563 3.960 -0.003 0.000 0.301 588 G HA3 -0.395 3.563 3.960 -0.003 0.000 0.301 588 G C 0.321 175.226 174.900 0.008 0.000 1.166 588 G CA 0.542 45.646 45.100 0.005 0.000 0.971 588 G HN 0.686 nan 8.290 nan 0.000 0.542 589 N N 1.226 119.928 118.700 0.003 0.000 2.276 589 N HA 0.301 5.040 4.740 -0.003 0.000 0.212 589 N C 0.504 176.015 175.510 0.002 0.000 1.127 589 N CA 0.900 53.950 53.050 -0.001 0.000 0.834 589 N CB 0.890 39.371 38.487 -0.011 0.000 1.014 589 N HN 0.710 nan 8.380 nan 0.000 0.491 590 Q N 0.641 120.447 119.800 0.010 0.000 2.327 590 Q HA 0.543 4.881 4.340 -0.003 0.000 0.270 590 Q C -1.486 174.528 176.000 0.024 0.000 1.022 590 Q CA -0.309 55.503 55.803 0.015 0.000 0.773 590 Q CB 1.331 30.074 28.738 0.008 0.000 1.251 590 Q HN 0.285 nan 8.270 nan 0.000 0.457 591 I N 2.636 123.232 120.570 0.043 0.000 2.362 591 I HA 0.429 4.598 4.170 -0.003 0.000 0.289 591 I C -0.403 175.746 176.117 0.052 0.000 0.994 591 I CA -0.514 60.819 61.300 0.055 0.000 1.158 591 I CB 2.161 40.222 38.000 0.102 0.000 1.315 591 I HN 0.440 nan 8.210 nan 0.000 0.451 592 T N 7.149 121.718 114.554 0.025 0.000 2.779 592 T HA 0.631 4.979 4.350 -0.003 0.000 0.280 592 T C -0.242 174.463 174.700 0.008 0.000 0.987 592 T CA -0.286 61.825 62.100 0.019 0.000 0.966 592 T CB 0.947 69.815 68.868 0.001 0.000 0.933 592 T HN 0.257 nan 8.240 nan 0.000 0.442 593 I N 3.305 123.894 120.570 0.031 0.000 2.433 593 I HA 0.469 4.638 4.170 -0.003 0.000 0.292 593 I C -0.042 176.089 176.117 0.023 0.000 1.001 593 I CA -0.748 60.566 61.300 0.023 0.000 1.119 593 I CB 1.732 39.771 38.000 0.066 0.000 1.289 593 I HN 0.313 nan 8.210 nan 0.000 0.438 594 K N 5.588 125.987 120.400 -0.001 0.000 2.375 594 K HA 0.599 4.918 4.320 -0.003 0.000 0.249 594 K C -0.913 175.685 176.600 -0.003 0.000 0.942 594 K CA -1.080 55.208 56.287 0.002 0.000 0.806 594 K CB 2.398 34.892 32.500 -0.011 0.000 1.227 594 K HN 0.377 nan 8.250 nan 0.000 0.430 595 R N 1.334 121.830 120.500 -0.006 0.000 2.338 595 R HA 0.223 4.562 4.340 -0.003 0.000 0.317 595 R C 0.125 176.414 176.300 -0.019 0.000 0.968 595 R CA -0.154 55.936 56.100 -0.017 0.000 0.849 595 R CB 1.506 31.781 30.300 -0.041 0.000 1.128 595 R HN 0.892 nan 8.270 nan 0.000 0.448 596 T N -1.185 113.361 114.554 -0.013 0.000 3.144 596 T HA 0.321 4.669 4.350 -0.003 0.000 0.290 596 T C 0.205 174.900 174.700 -0.007 0.000 0.966 596 T CA -0.319 61.774 62.100 -0.012 0.000 0.907 596 T CB 0.523 69.384 68.868 -0.012 0.000 1.152 596 T HN 0.313 nan 8.240 nan 0.000 0.532 597 K N 1.080 121.477 120.400 -0.005 0.000 2.400 597 K HA 0.601 4.920 4.320 -0.003 0.000 0.246 597 K C -0.376 176.227 176.600 0.003 0.000 0.995 597 K CA -0.986 55.302 56.287 0.002 0.000 0.840 597 K CB 1.310 33.816 32.500 0.009 0.000 1.293 597 K HN 0.047 nan 8.250 nan 0.000 0.445 598 N N 0.207 118.912 118.700 0.009 0.000 2.741 598 N HA -0.245 4.493 4.740 -0.003 0.000 0.251 598 N C 0.472 175.990 175.510 0.013 0.000 1.112 598 N CA 0.744 53.804 53.050 0.015 0.000 0.750 598 N CB -1.016 37.485 38.487 0.023 0.000 1.119 598 N HN 0.998 nan 8.380 nan 0.000 0.561 599 G N -1.543 107.259 108.800 0.004 0.000 2.199 599 G HA2 -0.299 3.659 3.960 -0.003 0.000 0.254 599 G HA3 -0.299 3.659 3.960 -0.003 0.000 0.254 599 G C -0.395 174.493 174.900 -0.019 0.000 0.982 599 G CA 0.281 45.380 45.100 -0.002 0.000 0.632 599 G HN 0.474 nan 8.290 nan 0.000 0.529 600 D N 0.527 120.912 120.400 -0.025 0.000 2.350 600 D HA 0.527 5.166 4.640 -0.003 0.000 0.249 600 D C 1.218 177.478 176.300 -0.066 0.000 1.119 600 D CA 0.810 54.773 54.000 -0.062 0.000 0.886 600 D CB 1.432 42.195 40.800 -0.062 0.000 1.195 600 D HN 0.510 nan 8.370 nan 0.000 0.437 601 S N -0.045 115.595 115.700 -0.100 0.000 3.009 601 S HA 0.301 4.769 4.470 -0.003 0.000 0.254 601 S C 0.730 175.295 174.600 -0.059 0.000 1.004 601 S CA -0.673 57.486 58.200 -0.067 0.000 1.119 601 S CB 0.247 63.415 63.200 -0.052 0.000 1.075 601 S HN 0.395 nan 8.310 nan 0.000 0.618 602 G N 1.622 110.364 108.800 -0.097 0.000 2.634 602 G HA2 0.583 4.542 3.960 -0.003 0.000 0.255 602 G HA3 0.583 4.542 3.960 -0.003 0.000 0.255 602 G C -0.718 174.233 174.900 0.085 0.000 1.205 602 G CA -0.567 44.545 45.100 0.019 0.000 0.884 602 G HN 0.510 nan 8.290 nan 0.000 0.549 603 M N 0.338 120.037 119.600 0.165 0.000 2.470 603 M HA 0.657 5.136 4.480 -0.003 0.000 0.285 603 M C -2.081 174.281 176.300 0.103 0.000 1.213 603 M CA -0.855 54.505 55.300 0.100 0.000 0.901 603 M CB 2.410 35.054 32.600 0.073 0.000 1.718 603 M HN 0.486 nan 8.290 nan 0.000 0.469 604 L N 4.270 125.545 121.223 0.087 0.000 2.410 604 L HA 0.820 5.159 4.340 -0.003 0.000 0.270 604 L C -1.920 175.001 176.870 0.084 0.000 0.983 604 L CA -0.656 54.243 54.840 0.098 0.000 0.822 604 L CB 2.141 44.281 42.059 0.135 0.000 1.285 604 L HN 0.594 nan 8.230 nan 0.000 0.409 605 V N 3.919 123.879 119.914 0.077 0.000 2.482 605 V HA 0.439 4.558 4.120 -0.003 0.000 0.295 605 V C -0.647 175.493 176.094 0.077 0.000 1.026 605 V CA -0.682 61.658 62.300 0.066 0.000 0.856 605 V CB 1.640 33.487 31.823 0.041 0.000 1.001 605 V HN 0.717 nan 8.190 nan 0.000 0.424 606 N N 2.590 121.346 118.700 0.094 0.000 2.419 606 N HA 0.376 5.115 4.740 -0.003 0.000 0.277 606 N C -0.439 175.095 175.510 0.040 0.000 1.006 606 N CA -0.176 52.928 53.050 0.091 0.000 0.923 606 N CB 1.792 40.379 38.487 0.167 0.000 1.140 606 N HN 0.628 nan 8.380 nan 0.000 0.488 607 T N 2.245 116.806 114.554 0.012 0.000 2.733 607 T HA 0.478 4.826 4.350 -0.003 0.000 0.294 607 T C 0.054 174.723 174.700 -0.051 0.000 0.956 607 T CA -0.535 61.557 62.100 -0.012 0.000 0.987 607 T CB 0.551 69.413 68.868 -0.008 0.000 0.920 607 T HN 0.552 nan 8.240 nan 0.000 0.470 608 A N 4.386 127.167 122.820 -0.065 0.000 2.396 608 A HA 0.480 4.798 4.320 -0.003 0.000 0.279 608 A C 0.983 178.524 177.584 -0.071 0.000 1.165 608 A CA -0.394 51.578 52.037 -0.108 0.000 0.824 608 A CB -0.133 18.809 19.000 -0.098 0.000 1.100 608 A HN 0.981 nan 8.150 nan 0.000 0.516 609 L N 2.233 123.412 121.223 -0.073 0.000 2.269 609 L HA 0.277 4.616 4.340 -0.003 0.000 0.200 609 L C 0.109 176.954 176.870 -0.041 0.000 1.069 609 L CA 0.658 55.468 54.840 -0.049 0.000 0.804 609 L CB -0.122 41.910 42.059 -0.045 0.000 0.987 609 L HN 0.549 nan 8.230 nan 0.000 0.468 610 L N -0.468 120.734 121.223 -0.036 0.000 2.381 610 L HA 0.458 4.796 4.340 -0.003 0.000 0.268 610 L C -2.421 174.409 176.870 -0.067 0.000 0.997 610 L CA -2.033 52.788 54.840 -0.031 0.000 0.818 610 L CB 1.961 44.033 42.059 0.023 0.000 1.310 610 L HN -0.255 nan 8.230 nan 0.000 0.416 611 P HA 0.016 nan 4.420 nan 0.000 0.272 611 P C -1.290 175.980 177.300 -0.051 0.000 1.254 611 P CA -0.341 62.704 63.100 -0.093 0.000 0.795 611 P CB 0.286 31.913 31.700 -0.122 0.000 1.022 612 D N -0.782 119.595 120.400 -0.038 0.000 2.414 612 D HA 0.203 4.841 4.640 -0.003 0.000 0.251 612 D C 1.192 177.478 176.300 -0.023 0.000 1.252 612 D CA -0.463 53.520 54.000 -0.028 0.000 0.999 612 D CB -0.331 40.455 40.800 -0.023 0.000 1.093 612 D HN 0.275 nan 8.370 nan 0.000 0.515 613 A N 0.145 122.955 122.820 -0.017 0.000 1.948 613 A HA -0.065 4.254 4.320 -0.003 0.000 0.220 613 A C 2.134 179.712 177.584 -0.009 0.000 1.177 613 A CA 2.540 54.571 52.037 -0.011 0.000 0.636 613 A CB -1.381 17.614 19.000 -0.008 0.000 0.815 613 A HN 0.739 nan 8.150 nan 0.000 0.449 614 A N -1.373 121.440 122.820 -0.011 0.000 2.206 614 A HA 0.031 4.349 4.320 -0.003 0.000 0.211 614 A C 1.447 179.024 177.584 -0.013 0.000 1.158 614 A CA 1.468 53.500 52.037 -0.010 0.000 0.761 614 A CB -0.363 18.631 19.000 -0.009 0.000 0.801 614 A HN 0.501 nan 8.150 nan 0.000 0.473 615 N N -0.992 117.697 118.700 -0.018 0.000 2.305 615 N HA 0.103 4.841 4.740 -0.003 0.000 0.248 615 N C -0.788 174.707 175.510 -0.026 0.000 1.290 615 N CA 0.236 53.271 53.050 -0.026 0.000 0.873 615 N CB 0.571 39.035 38.487 -0.037 0.000 1.261 615 N HN 0.083 nan 8.380 nan 0.000 0.504 616 S N -0.165 115.528 115.700 -0.011 0.000 2.519 616 S HA 0.522 4.991 4.470 -0.003 0.000 0.309 616 S C -1.367 173.246 174.600 0.022 0.000 1.100 616 S CA -0.658 57.545 58.200 0.005 0.000 1.059 616 S CB 0.322 63.523 63.200 0.002 0.000 1.008 616 S HN 0.174 nan 8.310 nan 0.000 0.478 617 N N 4.253 122.978 118.700 0.041 0.000 2.443 617 N HA 0.479 5.217 4.740 -0.003 0.000 0.269 617 N C -1.190 174.371 175.510 0.085 0.000 0.985 617 N CA -0.273 52.809 53.050 0.052 0.000 0.921 617 N CB 1.346 39.860 38.487 0.045 0.000 1.195 617 N HN 0.616 nan 8.380 nan 0.000 0.492 618 I N 1.825 122.443 120.570 0.079 0.000 2.382 618 I HA 0.303 4.471 4.170 -0.003 0.000 0.285 618 I C 0.117 176.292 176.117 0.098 0.000 1.007 618 I CA -0.533 60.828 61.300 0.103 0.000 1.142 618 I CB 1.409 39.459 38.000 0.084 0.000 1.289 618 I HN 0.359 nan 8.210 nan 0.000 0.453 619 T N 1.233 115.860 114.554 0.123 0.000 2.901 619 T HA 0.700 5.049 4.350 -0.003 0.000 0.293 619 T C -0.292 174.485 174.700 0.129 0.000 1.084 619 T CA -0.895 61.270 62.100 0.109 0.000 1.008 619 T CB 1.915 70.844 68.868 0.100 0.000 1.170 619 T HN 0.471 nan 8.240 nan 0.000 0.509 620 S N 0.755 116.532 115.700 0.130 0.000 2.482 620 S HA 0.731 5.200 4.470 -0.003 0.000 0.303 620 S C -0.983 173.745 174.600 0.214 0.000 1.091 620 S CA -0.876 57.439 58.200 0.192 0.000 1.057 620 S CB 0.457 63.777 63.200 0.200 0.000 1.031 620 S HN 0.585 nan 8.310 nan 0.000 0.485 621 I N 1.939 122.609 120.570 0.167 0.000 2.474 621 I HA 0.959 5.128 4.170 -0.003 0.000 0.294 621 I C 0.801 176.830 176.117 -0.146 0.000 1.005 621 I CA -0.334 60.959 61.300 -0.010 0.000 1.113 621 I CB 0.932 38.874 38.000 -0.096 0.000 1.289 621 I HN 1.167 nan 8.210 nan 0.000 0.436 622 G N 1.971 110.380 108.800 -0.651 0.000 2.323 622 G HA2 0.652 4.610 3.960 -0.003 0.000 0.291 622 G HA3 0.652 4.610 3.960 -0.003 0.000 0.291 622 G C -0.487 173.387 174.900 -1.710 0.000 1.278 622 G CA 0.437 44.701 45.100 -1.393 0.000 0.860 622 G HN 1.349 nan 8.290 nan 0.000 0.504 623 G N -0.952 106.798 108.800 -1.751 0.000 2.760 623 G HA2 0.045 4.003 3.960 -0.003 0.000 0.246 623 G HA3 0.045 4.003 3.960 -0.003 0.000 0.246 623 G C -0.133 174.455 174.900 -0.520 0.000 1.359 623 G CA 0.096 44.707 45.100 -0.815 0.000 0.861 623 G HN 0.883 nan 8.290 nan 0.000 0.541 624 K N 0.883 121.101 120.400 -0.303 0.000 2.436 624 K HA 0.384 4.702 4.320 -0.003 0.000 0.282 624 K C 1.422 177.886 176.600 -0.226 0.000 1.044 624 K CA 1.487 57.635 56.287 -0.233 0.000 1.028 624 K CB 0.323 32.738 32.500 -0.141 0.000 0.919 624 K HN 2.172 nan 8.250 nan 0.000 0.474 625 G N 2.844 111.522 108.800 -0.203 0.000 2.213 625 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.236 625 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.236 625 G C 0.546 175.361 174.900 -0.141 0.000 0.991 625 G CA -0.129 44.888 45.100 -0.139 0.000 0.629 625 G HN 0.570 nan 8.290 nan 0.000 0.517 626 K N 0.413 120.647 120.400 -0.276 0.000 2.554 626 K HA 0.143 4.461 4.320 -0.003 0.000 0.211 626 K C 1.369 177.772 176.600 -0.328 0.000 1.226 626 K CA 0.722 56.840 56.287 -0.282 0.000 1.025 626 K CB 0.817 33.012 32.500 -0.508 0.000 1.021 626 K HN 0.461 nan 8.250 nan 0.000 0.600 627 D N 0.233 120.338 120.400 -0.492 0.000 2.178 627 D HA -0.155 4.483 4.640 -0.003 0.000 0.202 627 D C 0.632 176.456 176.300 -0.793 0.000 0.974 627 D CA 0.895 54.457 54.000 -0.731 0.000 0.841 627 D CB -0.319 39.897 40.800 -0.974 0.000 0.953 627 D HN 0.189 nan 8.370 nan 0.000 0.478 628 F N -0.198 119.585 119.950 -0.278 0.000 2.761 628 F HA 0.215 4.740 4.527 -0.003 0.000 0.367 628 F C 0.148 175.807 175.800 -0.234 0.000 1.386 628 F CA -1.435 56.173 58.000 -0.653 0.000 1.177 628 F CB 0.367 38.968 39.000 -0.666 0.000 1.092 628 F HN -0.083 nan 8.300 nan 0.000 0.517 629 W N 2.741 123.978 121.300 -0.104 0.000 2.266 629 W HA 0.486 5.144 4.660 -0.003 0.000 0.317 629 W C -1.317 175.224 176.519 0.036 0.000 1.310 629 W CA -0.188 57.117 57.345 -0.067 0.000 1.207 629 W CB 1.439 30.811 29.460 -0.147 0.000 1.199 629 W HN -0.268 nan 8.180 nan 0.000 0.544 630 V N 8.792 128.350 119.914 -0.593 0.000 2.443 630 V HA 0.094 4.212 4.120 -0.003 0.000 0.272 630 V C -0.347 175.481 176.094 -0.443 0.000 1.002 630 V CA -0.946 61.179 62.300 -0.292 0.000 0.840 630 V CB 0.023 31.948 31.823 0.169 0.000 1.042 630 V HN 0.503 nan 8.190 nan 0.000 0.446 631 F N 3.996 123.674 119.950 -0.453 0.000 2.642 631 F HA -0.143 4.383 4.527 -0.001 0.000 0.200 631 F C 1.533 177.120 175.800 -0.354 0.000 1.041 631 F CA 1.528 59.365 58.000 -0.270 0.000 0.851 631 F CB -1.065 37.866 39.000 -0.115 0.000 0.727 631 F HN 0.835 nan 8.300 nan 0.000 0.848 632 G N -1.041 107.411 108.800 -0.580 0.000 2.697 632 G HA2 -0.137 3.822 3.960 -0.003 0.000 0.200 632 G HA3 -0.137 3.822 3.960 -0.003 0.000 0.200 632 G C 0.051 174.338 174.900 -1.022 0.000 1.106 632 G CA -0.168 44.678 45.100 -0.422 0.000 0.748 632 G HN 0.556 nan 8.290 nan 0.000 0.503 633 T N 1.565 115.393 114.554 -1.210 0.000 2.863 633 T HA 0.573 4.921 4.350 -0.003 0.000 0.285 633 T C -0.720 173.364 174.700 -1.028 0.000 1.009 633 T CA -0.533 60.990 62.100 -0.961 0.000 0.989 633 T CB 1.981 70.421 68.868 -0.715 0.000 1.004 633 T HN 0.392 nan 8.240 nan 0.000 0.455 634 N N 1.826 120.219 118.700 -0.512 0.000 2.425 634 N HA 0.186 4.925 4.740 -0.003 0.000 0.268 634 N C -1.167 174.167 175.510 -0.293 0.000 0.991 634 N CA -0.353 52.595 53.050 -0.168 0.000 0.931 634 N CB 0.676 39.273 38.487 0.184 0.000 1.130 634 N HN 0.580 nan 8.380 nan 0.000 0.493 635 Y N 2.402 122.747 120.300 0.076 0.000 2.724 635 Y HA 0.097 4.645 4.550 -0.003 0.000 0.332 635 Y C 0.735 176.786 175.900 0.250 0.000 1.276 635 Y CA -0.464 57.703 58.100 0.112 0.000 1.597 635 Y CB -0.057 38.437 38.460 0.056 0.000 1.584 635 Y HN 0.304 nan 8.280 nan 0.000 0.478 636 T N 1.811 116.513 114.554 0.248 0.000 2.905 636 T HA -0.104 4.244 4.350 -0.003 0.000 0.299 636 T C 0.366 175.154 174.700 0.147 0.000 1.024 636 T CA 0.327 62.566 62.100 0.231 0.000 1.151 636 T CB -0.032 68.888 68.868 0.086 0.000 0.987 636 T HN 0.459 nan 8.240 nan 0.000 0.535 637 N N 2.578 121.364 118.700 0.143 0.000 2.722 637 N HA 0.127 4.866 4.740 -0.003 0.000 0.242 637 N C -1.472 174.037 175.510 -0.001 0.000 1.398 637 N CA -0.493 52.454 53.050 -0.172 0.000 0.755 637 N CB 0.649 38.513 38.487 -1.039 0.000 1.268 637 N HN 0.434 nan 8.380 nan 0.000 0.522 638 D N 1.413 121.818 120.400 0.008 0.000 2.341 638 D HA 0.240 4.879 4.640 -0.003 0.000 0.245 638 D C -2.189 174.109 176.300 -0.003 0.000 1.106 638 D CA -0.952 53.056 54.000 0.014 0.000 0.905 638 D CB 0.943 41.743 40.800 0.001 0.000 1.202 638 D HN 0.306 nan 8.370 nan 0.000 0.426 639 P HA 0.030 nan 4.420 nan 0.000 0.269 639 P C -0.166 177.140 177.300 0.010 0.000 1.209 639 P CA 0.005 63.119 63.100 0.023 0.000 0.776 639 P CB 0.687 32.415 31.700 0.046 0.000 0.876 640 K N 3.585 123.990 120.400 0.008 0.000 2.202 640 K HA 0.249 4.568 4.320 -0.003 0.000 0.264 640 K C -2.181 174.429 176.600 0.015 0.000 1.010 640 K CA -1.690 54.601 56.287 0.005 0.000 0.940 640 K CB -0.586 31.915 32.500 0.002 0.000 0.983 640 K HN 0.332 nan 8.250 nan 0.000 0.475 641 P HA -0.128 nan 4.420 nan 0.000 0.259 641 P C 0.357 177.669 177.300 0.020 0.000 1.163 641 P CA 1.174 64.282 63.100 0.014 0.000 0.760 641 P CB 0.160 31.866 31.700 0.010 0.000 0.762 642 G N 1.944 110.758 108.800 0.023 0.000 2.179 642 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.257 642 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.257 642 G C 0.209 175.131 174.900 0.037 0.000 1.010 642 G CA 0.403 45.519 45.100 0.027 0.000 0.736 642 G HN 0.811 nan 8.290 nan 0.000 0.513 643 T N -3.340 111.240 114.554 0.043 0.000 2.908 643 T HA 0.557 4.906 4.350 -0.003 0.000 0.290 643 T C -0.070 174.680 174.700 0.083 0.000 1.034 643 T CA 0.436 62.573 62.100 0.061 0.000 1.010 643 T CB 2.273 71.175 68.868 0.057 0.000 1.068 643 T HN 0.942 nan 8.240 nan 0.000 0.481 644 D N 1.604 122.077 120.400 0.122 0.000 2.735 644 D HA -0.129 4.509 4.640 -0.003 0.000 0.235 644 D C 1.154 177.506 176.300 0.087 0.000 1.175 644 D CA 0.880 54.972 54.000 0.153 0.000 0.683 644 D CB -0.504 40.420 40.800 0.206 0.000 1.008 644 D HN 0.740 nan 8.370 nan 0.000 0.416 645 E N -0.299 119.944 120.200 0.071 0.000 2.338 645 E HA -0.075 4.273 4.350 -0.003 0.000 0.197 645 E C 1.721 178.344 176.600 0.039 0.000 1.007 645 E CA 1.163 57.592 56.400 0.048 0.000 0.849 645 E CB -0.463 29.262 29.700 0.041 0.000 0.774 645 E HN 0.536 nan 8.360 nan 0.000 0.506 646 A N 0.822 123.666 122.820 0.040 0.000 2.308 646 A HA 0.280 4.599 4.320 -0.003 0.000 0.217 646 A C 1.007 178.592 177.584 0.002 0.000 1.216 646 A CA -0.218 51.832 52.037 0.023 0.000 0.864 646 A CB -0.223 18.794 19.000 0.028 0.000 0.902 646 A HN 0.150 nan 8.150 nan 0.000 0.499 647 L N -0.121 121.104 121.223 0.004 0.000 3.739 647 L HA -0.233 4.105 4.340 -0.003 0.000 0.442 647 L C 0.842 177.669 176.870 -0.073 0.000 1.241 647 L CA 1.161 55.996 54.840 -0.008 0.000 0.819 647 L CB -1.775 40.290 42.059 0.010 0.000 1.679 647 L HN 0.624 nan 8.230 nan 0.000 0.889 648 E N -0.298 119.767 120.200 -0.224 0.000 2.478 648 E HA -0.162 4.187 4.350 -0.003 0.000 0.198 648 E C 1.754 178.049 176.600 -0.507 0.000 1.046 648 E CA 0.742 56.884 56.400 -0.429 0.000 0.870 648 E CB -0.022 29.268 29.700 -0.684 0.000 0.818 648 E HN 0.763 nan 8.360 nan 0.000 0.527 649 R N 0.995 121.336 120.500 -0.264 0.000 2.193 649 R HA -0.011 4.328 4.340 -0.003 0.000 0.229 649 R C 0.952 177.401 176.300 0.248 0.000 1.110 649 R CA 1.006 57.190 56.100 0.140 0.000 0.988 649 R CB -0.500 29.998 30.300 0.330 0.000 0.871 649 R HN 0.037 nan 8.270 nan 0.000 0.458 650 G N 0.531 109.392 108.800 0.102 0.000 2.707 650 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.686 650 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.686 650 G C -0.335 174.556 174.900 -0.013 0.000 1.315 650 G CA 0.054 45.222 45.100 0.114 0.000 0.832 650 G HN 0.295 nan 8.290 nan 0.000 0.573 651 E N -1.407 118.792 120.200 -0.002 0.000 2.633 651 E HA 0.249 4.598 4.350 -0.003 0.000 0.214 651 E C -0.210 176.133 176.600 -0.430 0.000 0.898 651 E CA -0.274 55.970 56.400 -0.259 0.000 1.422 651 E CB 0.664 30.270 29.700 -0.157 0.000 1.398 651 E HN 0.505 nan 8.360 nan 0.000 0.752 652 W N 0.997 122.294 121.300 -0.005 0.000 2.962 652 W HA 0.501 5.159 4.660 -0.003 0.000 0.341 652 W C -0.637 175.896 176.519 0.023 0.000 1.155 652 W CA -0.762 56.582 57.345 -0.002 0.000 1.165 652 W CB 1.344 30.798 29.460 -0.009 0.000 1.435 652 W HN -0.160 nan 8.180 nan 0.000 0.546 653 R N -0.120 120.515 120.500 0.224 0.000 2.643 653 R HA 0.826 5.164 4.340 -0.003 0.000 0.269 653 R C -2.176 174.166 176.300 0.070 0.000 1.037 653 R CA -0.884 55.208 56.100 -0.014 0.000 0.894 653 R CB 1.366 31.416 30.300 -0.416 0.000 1.238 653 R HN 0.261 nan 8.270 nan 0.000 0.459 654 V N 1.722 121.666 119.914 0.050 0.000 2.532 654 V HA 0.360 4.478 4.120 -0.003 0.000 0.295 654 V C -0.241 175.943 176.094 0.151 0.000 1.041 654 V CA -0.589 61.791 62.300 0.134 0.000 0.926 654 V CB 1.622 33.562 31.823 0.194 0.000 0.992 654 V HN 0.768 nan 8.190 nan 0.000 0.457 655 E N 4.371 124.693 120.200 0.203 0.000 2.176 655 E HA 0.559 4.907 4.350 -0.003 0.000 0.267 655 E C -1.192 175.594 176.600 0.309 0.000 0.893 655 E CA -0.424 56.148 56.400 0.286 0.000 0.761 655 E CB 2.304 32.205 29.700 0.335 0.000 1.133 655 E HN 0.529 nan 8.360 nan 0.000 0.409 656 I N 2.395 123.193 120.570 0.380 0.000 2.339 656 I HA 0.297 4.466 4.170 -0.003 0.000 0.290 656 I C -0.025 176.291 176.117 0.333 0.000 0.994 656 I CA -0.385 61.107 61.300 0.320 0.000 1.191 656 I CB 1.844 40.022 38.000 0.297 0.000 1.343 656 I HN 0.367 nan 8.210 nan 0.000 0.458 657 T N 6.843 121.518 114.554 0.202 0.000 2.909 657 T HA 0.516 4.865 4.350 -0.003 0.000 0.299 657 T C -2.751 171.973 174.700 0.041 0.000 1.073 657 T CA -1.972 60.178 62.100 0.085 0.000 0.999 657 T CB 2.061 70.847 68.868 -0.137 0.000 1.098 657 T HN 0.156 nan 8.240 nan 0.000 0.477 658 P HA 0.299 nan 4.420 nan 0.000 0.271 658 P C 0.286 177.563 177.300 -0.038 0.000 1.218 658 P CA -0.230 62.836 63.100 -0.056 0.000 0.780 658 P CB 0.563 32.205 31.700 -0.098 0.000 0.901 659 K N 1.050 121.433 120.400 -0.029 0.000 2.167 659 K HA -0.011 4.307 4.320 -0.003 0.000 0.203 659 K C 0.390 176.977 176.600 -0.021 0.000 1.052 659 K CA 1.157 57.434 56.287 -0.018 0.000 0.956 659 K CB 0.066 32.559 32.500 -0.011 0.000 0.735 659 K HN 0.436 nan 8.250 nan 0.000 0.451 660 K N 0.803 121.185 120.400 -0.031 0.000 2.182 660 K HA 0.362 4.681 4.320 -0.003 0.000 0.262 660 K C -0.932 175.645 176.600 -0.038 0.000 0.957 660 K CA -0.517 55.752 56.287 -0.030 0.000 0.842 660 K CB 1.994 34.477 32.500 -0.029 0.000 1.099 660 K HN -0.053 nan 8.250 nan 0.000 0.438 661 A N 2.000 124.800 122.820 -0.033 0.000 2.451 661 A HA 0.527 4.845 4.320 -0.003 0.000 0.266 661 A C -0.383 177.171 177.584 -0.050 0.000 1.119 661 A CA -0.053 51.960 52.037 -0.039 0.000 0.786 661 A CB -0.013 18.966 19.000 -0.035 0.000 1.061 661 A HN 0.759 nan 8.150 nan 0.000 0.503 662 A N 1.550 124.334 122.820 -0.059 0.000 2.587 662 A HA 0.749 5.067 4.320 -0.003 0.000 0.293 662 A C 0.738 178.276 177.584 -0.077 0.000 1.087 662 A CA 0.041 52.039 52.037 -0.065 0.000 0.692 662 A CB 0.536 19.500 19.000 -0.059 0.000 1.291 662 A HN 1.860 nan 8.150 nan 0.000 0.407 663 A N 0.111 122.883 122.820 -0.079 0.000 1.854 663 A HA 0.150 4.469 4.320 -0.003 0.000 0.214 663 A C 0.920 178.443 177.584 -0.101 0.000 1.192 663 A CA 1.637 53.623 52.037 -0.085 0.000 0.611 663 A CB -0.350 18.604 19.000 -0.077 0.000 0.832 663 A HN 0.803 nan 8.150 nan 0.000 0.442 664 E N 0.668 120.802 120.200 -0.109 0.000 2.174 664 E HA 0.361 4.709 4.350 -0.003 0.000 0.282 664 E C -1.487 174.983 176.600 -0.216 0.000 0.992 664 E CA -0.526 55.768 56.400 -0.177 0.000 0.803 664 E CB 0.537 30.163 29.700 -0.123 0.000 1.090 664 E HN 0.375 nan 8.360 nan 0.000 0.396 665 D N 2.575 122.754 120.400 -0.369 0.000 2.581 665 D HA 0.314 4.953 4.640 -0.003 0.000 0.232 665 D C -1.421 174.502 176.300 -0.629 0.000 1.143 665 D CA -0.352 53.427 54.000 -0.368 0.000 0.881 665 D CB 1.345 41.950 40.800 -0.325 0.000 1.500 665 D HN 0.373 nan 8.370 nan 0.000 0.458 666 Y N 0.155 120.267 120.300 -0.313 0.000 2.442 666 Y HA 0.395 4.943 4.550 -0.004 0.000 0.344 666 Y C -0.684 174.977 175.900 -0.398 0.000 0.976 666 Y CA -0.822 57.092 58.100 -0.311 0.000 1.040 666 Y CB 1.626 39.989 38.460 -0.163 0.000 1.228 666 Y HN 0.209 nan 8.280 nan 0.000 0.451 667 Y N 3.212 123.483 120.300 -0.048 0.000 2.360 667 Y HA 0.606 5.154 4.550 -0.002 0.000 0.337 667 Y C -0.836 175.033 175.900 -0.051 0.000 1.039 667 Y CA -0.951 57.090 58.100 -0.098 0.000 1.109 667 Y CB 1.743 40.118 38.460 -0.141 0.000 1.201 667 Y HN 0.428 nan 8.280 nan 0.000 0.458 668 L N 5.224 126.497 121.223 0.082 0.000 2.446 668 L HA 0.533 4.872 4.340 -0.003 0.000 0.268 668 L C -1.636 175.188 176.870 -0.077 0.000 0.975 668 L CA -0.546 54.337 54.840 0.073 0.000 0.848 668 L CB 0.929 43.054 42.059 0.110 0.000 1.225 668 L HN 0.625 nan 8.230 nan 0.000 0.410 669 N N 3.991 122.629 118.700 -0.103 0.000 2.249 669 N HA 0.589 5.327 4.740 -0.003 0.000 0.296 669 N C -1.538 173.949 175.510 -0.039 0.000 1.051 669 N CA -0.395 52.560 53.050 -0.159 0.000 0.815 669 N CB 3.061 41.317 38.487 -0.385 0.000 1.487 669 N HN 0.283 nan 8.380 nan 0.000 0.475 670 V N 3.328 123.226 119.914 -0.027 0.000 2.349 670 V HA 0.462 4.581 4.120 -0.003 0.000 0.284 670 V C 0.169 176.277 176.094 0.022 0.000 1.014 670 V CA -0.588 61.712 62.300 0.001 0.000 0.826 670 V CB 1.079 32.895 31.823 -0.011 0.000 1.009 670 V HN 0.532 nan 8.190 nan 0.000 0.431 671 I N 4.691 125.283 120.570 0.036 0.000 2.331 671 I HA 0.413 4.581 4.170 -0.003 0.000 0.292 671 I C 0.206 176.342 176.117 0.030 0.000 0.998 671 I CA -0.150 61.188 61.300 0.063 0.000 1.267 671 I CB 1.400 39.460 38.000 0.101 0.000 1.386 671 I HN 0.583 nan 8.210 nan 0.000 0.476 672 Q N 6.074 125.895 119.800 0.035 0.000 2.257 672 Q HA 0.654 4.992 4.340 -0.003 0.000 0.262 672 Q C -1.063 174.942 176.000 0.008 0.000 0.997 672 Q CA -0.849 54.960 55.803 0.011 0.000 0.873 672 Q CB 3.094 31.850 28.738 0.031 0.000 1.312 672 Q HN 0.463 nan 8.270 nan 0.000 0.450 673 I N 1.022 121.564 120.570 -0.046 0.000 2.533 673 I HA 0.798 4.966 4.170 -0.003 0.000 0.290 673 I C -0.589 175.403 176.117 -0.208 0.000 1.056 673 I CA -0.520 60.722 61.300 -0.097 0.000 1.057 673 I CB 1.403 39.324 38.000 -0.130 0.000 1.240 673 I HN 0.757 nan 8.210 nan 0.000 0.423 674 A N 4.504 127.247 122.820 -0.127 0.000 2.536 674 A HA 0.595 4.913 4.320 -0.003 0.000 0.293 674 A C -1.498 176.220 177.584 0.223 0.000 1.119 674 A CA -0.714 51.290 52.037 -0.055 0.000 0.654 674 A CB 1.024 20.015 19.000 -0.016 0.000 1.291 674 A HN 0.558 nan 8.150 nan 0.000 0.439 675 D N 1.300 121.855 120.400 0.259 0.000 2.382 675 D HA 0.146 4.785 4.640 -0.003 0.000 0.240 675 D C 1.045 177.410 176.300 0.109 0.000 1.146 675 D CA 0.306 54.434 54.000 0.212 0.000 0.897 675 D CB 0.557 41.441 40.800 0.139 0.000 1.197 675 D HN 0.590 nan 8.370 nan 0.000 0.432 676 N N -0.537 118.206 118.700 0.071 0.000 2.550 676 N HA -0.149 4.590 4.740 -0.003 0.000 0.186 676 N C 0.915 176.439 175.510 0.024 0.000 1.110 676 N CA 0.776 53.849 53.050 0.039 0.000 0.912 676 N CB -0.543 37.957 38.487 0.020 0.000 0.968 676 N HN 0.385 nan 8.380 nan 0.000 0.448 677 T N -4.537 110.033 114.554 0.027 0.000 3.129 677 T HA 0.061 4.409 4.350 -0.003 0.000 0.251 677 T C 0.605 175.313 174.700 0.013 0.000 1.117 677 T CA -0.285 61.824 62.100 0.016 0.000 1.034 677 T CB -0.028 68.849 68.868 0.016 0.000 0.968 677 T HN 0.049 nan 8.240 nan 0.000 0.526 678 Q N 1.573 121.383 119.800 0.018 0.000 2.296 678 Q HA 0.211 4.550 4.340 -0.003 0.000 0.262 678 Q C 1.091 177.087 176.000 -0.007 0.000 0.981 678 Q CA -0.014 55.792 55.803 0.004 0.000 0.905 678 Q CB 0.903 29.645 28.738 0.006 0.000 1.186 678 Q HN 0.267 nan 8.270 nan 0.000 0.399 679 Q N 2.874 122.664 119.800 -0.016 0.000 2.304 679 Q HA 0.124 4.463 4.340 -0.003 0.000 0.204 679 Q C -0.302 175.679 176.000 -0.031 0.000 0.936 679 Q CA 0.801 56.593 55.803 -0.019 0.000 0.878 679 Q CB 0.494 29.222 28.738 -0.017 0.000 0.983 679 Q HN 0.467 nan 8.270 nan 0.000 0.516 680 K N 1.647 122.019 120.400 -0.048 0.000 2.334 680 K HA 0.414 4.732 4.320 -0.003 0.000 0.265 680 K C -0.428 176.100 176.600 -0.120 0.000 1.039 680 K CA -0.157 56.087 56.287 -0.072 0.000 0.920 680 K CB 1.108 33.564 32.500 -0.074 0.000 1.160 680 K HN -0.018 nan 8.250 nan 0.000 0.451 681 L N 1.604 122.766 121.223 -0.103 0.000 2.472 681 L HA 0.305 4.643 4.340 -0.003 0.000 0.256 681 L C 0.863 177.625 176.870 -0.181 0.000 1.111 681 L CA -0.967 53.792 54.840 -0.135 0.000 0.800 681 L CB 0.254 42.293 42.059 -0.034 0.000 1.286 681 L HN 0.420 nan 8.230 nan 0.000 0.479 682 H N 0.860 119.918 119.070 -0.020 0.000 2.764 682 H HA 0.078 4.632 4.556 -0.002 0.000 0.341 682 H C -0.381 174.938 175.328 -0.013 0.000 1.072 682 H CA -0.274 55.763 56.048 -0.018 0.000 1.444 682 H CB 0.694 30.441 29.762 -0.026 0.000 1.458 682 H HN 0.526 nan 8.280 nan 0.000 0.572 683 E N 1.783 122.043 120.200 0.099 0.000 2.354 683 E HA 0.325 4.674 4.350 -0.003 0.000 0.269 683 E C -0.923 175.709 176.600 0.053 0.000 1.036 683 E CA -0.679 55.755 56.400 0.055 0.000 0.876 683 E CB 0.900 30.622 29.700 0.037 0.000 1.009 683 E HN 0.129 nan 8.360 nan 0.000 0.416 684 V N 3.415 123.344 119.914 0.024 0.000 2.483 684 V HA 0.350 4.469 4.120 -0.003 0.000 0.295 684 V C -0.174 175.912 176.094 -0.014 0.000 1.035 684 V CA -0.835 61.465 62.300 0.001 0.000 0.896 684 V CB 1.395 33.214 31.823 -0.007 0.000 0.986 684 V HN 0.680 nan 8.190 nan 0.000 0.447 685 K N 3.428 123.808 120.400 -0.034 0.000 2.345 685 K HA 0.553 4.872 4.320 -0.003 0.000 0.255 685 K C -0.607 175.951 176.600 -0.070 0.000 0.934 685 K CA -0.845 55.416 56.287 -0.044 0.000 0.801 685 K CB 2.699 35.171 32.500 -0.045 0.000 1.137 685 K HN 0.572 nan 8.250 nan 0.000 0.424 686 R N 3.468 123.930 120.500 -0.064 0.000 2.389 686 R HA 0.247 4.586 4.340 -0.003 0.000 0.295 686 R C -0.593 175.648 176.300 -0.098 0.000 1.075 686 R CA -0.245 55.804 56.100 -0.084 0.000 1.005 686 R CB 0.433 30.692 30.300 -0.068 0.000 0.987 686 R HN 0.607 nan 8.270 nan 0.000 0.452 687 I N 4.650 125.131 120.570 -0.149 0.000 2.304 687 I HA 0.127 4.295 4.170 -0.003 0.000 0.291 687 I C -0.591 175.443 176.117 -0.138 0.000 1.018 687 I CA -0.448 60.756 61.300 -0.160 0.000 1.260 687 I CB 1.461 39.283 38.000 -0.297 0.000 1.390 687 I HN 0.484 nan 8.210 nan 0.000 0.475 688 D N 6.388 126.754 120.400 -0.058 0.000 2.427 688 D HA 0.446 5.085 4.640 -0.003 0.000 0.226 688 D C 0.287 176.614 176.300 0.045 0.000 1.076 688 D CA 0.056 54.038 54.000 -0.029 0.000 0.849 688 D CB 2.077 42.866 40.800 -0.018 0.000 1.052 688 D HN 0.691 nan 8.370 nan 0.000 0.515 689 G N 0.581 109.422 108.800 0.068 0.000 3.212 689 G HA2 0.247 4.206 3.960 -0.003 0.000 0.188 689 G HA3 0.247 4.206 3.960 -0.003 0.000 0.188 689 G C -0.909 174.095 174.900 0.173 0.000 1.254 689 G CA -0.436 44.785 45.100 0.201 0.000 0.957 689 G HN 0.244 nan 8.290 nan 0.000 0.596 690 D N 0.050 120.610 120.400 0.267 0.000 2.380 690 D HA 0.314 4.952 4.640 -0.003 0.000 0.230 690 D C 0.518 176.958 176.300 0.233 0.000 1.154 690 D CA -0.179 53.959 54.000 0.230 0.000 0.859 690 D CB 0.247 41.201 40.800 0.257 0.000 1.045 690 D HN 0.485 nan 8.370 nan 0.000 0.495 691 K N 0.467 120.930 120.400 0.106 0.000 3.547 691 K HA -0.172 4.147 4.320 -0.003 0.000 0.309 691 K C 0.003 176.546 176.600 -0.095 0.000 1.324 691 K CA 1.216 57.519 56.287 0.025 0.000 0.988 691 K CB -1.953 30.588 32.500 0.068 0.000 1.261 691 K HN 0.385 nan 8.250 nan 0.000 0.444 692 V N -2.935 116.930 119.914 -0.081 0.000 2.914 692 V HA 0.861 4.980 4.120 -0.003 0.000 0.314 692 V C -0.282 175.696 176.094 -0.192 0.000 1.084 692 V CA -0.901 61.274 62.300 -0.209 0.000 0.963 692 V CB 2.353 33.989 31.823 -0.312 0.000 1.025 692 V HN -0.056 nan 8.190 nan 0.000 0.432 693 V N 2.212 121.955 119.914 -0.285 0.000 2.769 693 V HA 1.046 5.164 4.120 -0.003 0.000 0.312 693 V C 0.365 176.249 176.094 -0.350 0.000 1.061 693 V CA 0.710 62.834 62.300 -0.294 0.000 0.931 693 V CB 1.706 33.340 31.823 -0.315 0.000 1.010 693 V HN 1.635 nan 8.190 nan 0.000 0.433 694 G N 3.572 112.179 108.800 -0.321 0.000 2.721 694 G HA2 0.673 4.631 3.960 -0.003 0.000 0.296 694 G HA3 0.673 4.631 3.960 -0.003 0.000 0.296 694 G C -1.919 172.830 174.900 -0.251 0.000 1.383 694 G CA -0.436 44.452 45.100 -0.353 0.000 0.788 694 G HN 0.899 nan 8.290 nan 0.000 0.500 695 V N -0.043 119.714 119.914 -0.261 0.000 2.789 695 V HA 0.674 4.792 4.120 -0.003 0.000 0.311 695 V C -0.599 175.357 176.094 -0.230 0.000 1.073 695 V CA -0.668 61.522 62.300 -0.184 0.000 0.921 695 V CB 1.768 33.530 31.823 -0.101 0.000 1.009 695 V HN 0.845 nan 8.190 nan 0.000 0.426 696 Q N 4.790 124.483 119.800 -0.178 0.000 2.309 696 Q HA 0.807 5.145 4.340 -0.003 0.000 0.270 696 Q C -1.672 174.275 176.000 -0.088 0.000 1.023 696 Q CA -0.583 55.117 55.803 -0.171 0.000 0.758 696 Q CB 2.081 30.698 28.738 -0.203 0.000 1.247 696 Q HN 0.854 nan 8.270 nan 0.000 0.455 697 L N 1.631 122.804 121.223 -0.084 0.000 2.465 697 L HA 0.985 5.324 4.340 -0.003 0.000 0.257 697 L C -0.065 176.712 176.870 -0.155 0.000 0.988 697 L CA -0.213 54.584 54.840 -0.071 0.000 0.827 697 L CB 1.555 43.566 42.059 -0.079 0.000 1.397 697 L HN 0.825 nan 8.230 nan 0.000 0.410 698 A N 2.412 125.091 122.820 -0.235 0.000 5.483 698 A HA -0.306 4.013 4.320 -0.003 0.000 0.309 698 A C 0.604 178.095 177.584 -0.155 0.000 1.898 698 A CA 1.545 53.356 52.037 -0.376 0.000 0.716 698 A CB -1.959 16.588 19.000 -0.755 0.000 1.309 698 A HN 1.457 nan 8.150 nan 0.000 0.380 699 D N 0.250 120.522 120.400 -0.213 0.000 2.615 699 D HA 0.314 4.952 4.640 -0.003 0.000 0.236 699 D C 0.161 176.417 176.300 -0.073 0.000 1.233 699 D CA -0.155 53.691 54.000 -0.256 0.000 0.829 699 D CB -0.068 40.550 40.800 -0.303 0.000 1.024 699 D HN 0.485 nan 8.370 nan 0.000 0.490 700 R N 0.651 121.125 120.500 -0.043 0.000 2.670 700 R HA 0.544 4.883 4.340 -0.003 0.000 0.289 700 R C -0.395 175.769 176.300 -0.228 0.000 0.965 700 R CA -0.747 55.276 56.100 -0.129 0.000 0.899 700 R CB 2.133 32.349 30.300 -0.140 0.000 1.173 700 R HN 0.080 nan 8.270 nan 0.000 0.456 701 I N 2.418 122.732 120.570 -0.426 0.000 2.466 701 I HA 0.425 4.593 4.170 -0.003 0.000 0.289 701 I C -0.393 175.426 176.117 -0.497 0.000 1.026 701 I CA -0.948 60.018 61.300 -0.556 0.000 1.078 701 I CB 2.031 39.456 38.000 -0.958 0.000 1.249 701 I HN 0.161 nan 8.210 nan 0.000 0.429 702 V N 4.753 124.381 119.914 -0.476 0.000 2.577 702 V HA 0.574 4.693 4.120 -0.003 0.000 0.303 702 V C 0.027 175.689 176.094 -0.720 0.000 1.042 702 V CA -0.458 61.503 62.300 -0.566 0.000 0.872 702 V CB 2.382 33.923 31.823 -0.469 0.000 0.998 702 V HN 0.921 nan 8.190 nan 0.000 0.423 703 T N 1.416 115.447 114.554 -0.871 0.000 2.887 703 T HA 0.863 5.211 4.350 -0.003 0.000 0.288 703 T C -1.015 173.037 174.700 -1.080 0.000 1.021 703 T CA -0.517 61.064 62.100 -0.865 0.000 1.000 703 T CB 1.731 70.169 68.868 -0.716 0.000 1.034 703 T HN 0.187 nan 8.240 nan 0.000 0.467 704 F N 0.395 120.020 119.950 -0.542 0.000 2.593 704 F HA 0.658 5.184 4.527 -0.003 0.000 0.320 704 F C 0.875 176.414 175.800 -0.435 0.000 1.060 704 F CA -1.233 56.483 58.000 -0.474 0.000 0.940 704 F CB 1.995 40.589 39.000 -0.678 0.000 1.268 704 F HN 0.717 nan 8.300 nan 0.000 0.475 705 S N 1.236 116.896 115.700 -0.065 0.000 2.537 705 S HA 0.056 4.525 4.470 -0.003 0.000 0.286 705 S C 1.207 175.803 174.600 -0.007 0.000 1.299 705 S CA -0.359 57.791 58.200 -0.082 0.000 1.067 705 S CB 0.560 63.760 63.200 -0.000 0.000 0.864 705 S HN 0.742 nan 8.310 nan 0.000 0.494 706 K N 2.050 122.396 120.400 -0.091 0.000 2.113 706 K HA -0.118 4.200 4.320 -0.003 0.000 0.208 706 K C 1.782 178.299 176.600 -0.139 0.000 1.047 706 K CA 1.932 58.141 56.287 -0.130 0.000 0.928 706 K CB -0.363 32.059 32.500 -0.130 0.000 0.716 706 K HN 0.910 nan 8.250 nan 0.000 0.446 707 T N -3.457 111.110 114.554 0.022 0.000 3.069 707 T HA 0.097 4.445 4.350 -0.003 0.000 0.252 707 T C 0.628 175.490 174.700 0.270 0.000 1.053 707 T CA 0.270 62.468 62.100 0.162 0.000 0.964 707 T CB 0.483 69.436 68.868 0.141 0.000 1.005 707 T HN 0.053 nan 8.240 nan 0.000 0.532 708 S N 0.649 116.518 115.700 0.282 0.000 3.672 708 S HA -0.125 4.344 4.470 -0.003 0.000 0.319 708 S C -0.057 174.657 174.600 0.191 0.000 1.151 708 S CA 0.592 58.977 58.200 0.307 0.000 0.911 708 S CB -1.058 62.308 63.200 0.277 0.000 0.939 708 S HN 0.760 nan 8.310 nan 0.000 0.524 709 E N 0.648 120.934 120.200 0.143 0.000 2.259 709 E HA 0.415 4.763 4.350 -0.003 0.000 0.257 709 E C 0.250 176.906 176.600 0.094 0.000 0.998 709 E CA -0.515 55.951 56.400 0.110 0.000 0.866 709 E CB 0.616 30.372 29.700 0.093 0.000 1.220 709 E HN 0.244 nan 8.360 nan 0.000 0.415 710 T N 0.908 115.519 114.554 0.094 0.000 2.817 710 T HA 0.142 4.490 4.350 -0.003 0.000 0.295 710 T C 0.148 174.909 174.700 0.101 0.000 0.958 710 T CA -0.226 61.934 62.100 0.100 0.000 1.157 710 T CB 0.108 69.043 68.868 0.111 0.000 0.898 710 T HN 0.077 nan 8.240 nan 0.000 0.536 711 V N 5.360 125.332 119.914 0.098 0.000 2.405 711 V HA 0.158 4.276 4.120 -0.003 0.000 0.264 711 V C 0.777 177.060 176.094 0.314 0.000 1.048 711 V CA -0.388 61.997 62.300 0.141 0.000 0.966 711 V CB 0.447 32.263 31.823 -0.013 0.000 1.015 711 V HN 0.964 nan 8.190 nan 0.000 0.477 712 D N 3.358 123.892 120.400 0.224 0.000 2.538 712 D HA 0.198 4.836 4.640 -0.003 0.000 0.231 712 D C 0.465 176.824 176.300 0.098 0.000 1.229 712 D CA -0.381 53.712 54.000 0.156 0.000 0.828 712 D CB 0.524 41.380 40.800 0.093 0.000 1.035 712 D HN 0.271 nan 8.370 nan 0.000 0.495 713 R N 0.542 121.160 120.500 0.197 0.000 2.836 713 R HA 0.509 4.848 4.340 -0.003 0.000 0.269 713 R C -2.830 173.663 176.300 0.321 0.000 1.010 713 R CA -1.979 54.219 56.100 0.163 0.000 0.930 713 R CB 0.619 31.006 30.300 0.146 0.000 1.218 713 R HN -0.043 nan 8.270 nan 0.000 0.473 714 P HA 0.110 nan 4.420 nan 0.000 0.266 714 P C -0.735 176.825 177.300 0.433 0.000 1.195 714 P CA 0.369 63.654 63.100 0.308 0.000 0.768 714 P CB 0.207 31.991 31.700 0.141 0.000 0.838 715 F N -0.564 119.583 119.950 0.328 0.000 2.789 715 F HA 0.885 5.411 4.527 -0.001 0.000 0.319 715 F C -0.625 175.388 175.800 0.356 0.000 1.168 715 F CA -0.769 57.395 58.000 0.272 0.000 0.934 715 F CB 1.206 40.337 39.000 0.219 0.000 1.375 715 F HN 0.608 nan 8.300 nan 0.000 0.480 716 G N -0.054 108.974 108.800 0.381 0.000 2.451 716 G HA2 0.626 4.585 3.960 -0.003 0.000 0.292 716 G HA3 0.626 4.585 3.960 -0.003 0.000 0.292 716 G C -2.156 172.999 174.900 0.425 0.000 1.427 716 G CA -0.314 44.929 45.100 0.239 0.000 0.792 716 G HN 1.496 nan 8.290 nan 0.000 0.498 717 F N -1.939 118.186 119.950 0.291 0.000 2.877 717 F HA 0.860 5.385 4.527 -0.003 0.000 0.319 717 F C -0.515 175.411 175.800 0.211 0.000 1.174 717 F CA -1.351 56.773 58.000 0.208 0.000 0.903 717 F CB 1.072 40.178 39.000 0.176 0.000 1.357 717 F HN 0.524 nan 8.300 nan 0.000 0.472 718 S N 0.617 116.553 115.700 0.394 0.000 2.532 718 S HA 0.813 5.281 4.470 -0.003 0.000 0.301 718 S C -1.147 173.630 174.600 0.294 0.000 1.083 718 S CA -0.741 57.614 58.200 0.259 0.000 1.025 718 S CB 1.971 65.257 63.200 0.144 0.000 1.056 718 S HN 0.576 nan 8.310 nan 0.000 0.494 719 V N 2.747 122.798 119.914 0.229 0.000 2.540 719 V HA 0.576 4.695 4.120 -0.003 0.000 0.302 719 V C -0.698 175.397 176.094 0.002 0.000 1.035 719 V CA -0.641 61.695 62.300 0.060 0.000 0.873 719 V CB 1.706 33.529 31.823 0.000 0.000 0.992 719 V HN 0.667 nan 8.190 nan 0.000 0.428 720 V N 3.264 123.142 119.914 -0.061 0.000 2.487 720 V HA 1.014 5.133 4.120 -0.003 0.000 0.298 720 V C 0.340 176.442 176.094 0.014 0.000 1.028 720 V CA 0.204 62.503 62.300 -0.002 0.000 0.860 720 V CB 1.388 33.224 31.823 0.021 0.000 0.991 720 V HN 1.275 nan 8.190 nan 0.000 0.427 721 G N 4.029 112.904 108.800 0.125 0.000 2.318 721 G HA2 0.269 4.228 3.960 -0.003 0.000 0.302 721 G HA3 0.269 4.228 3.960 -0.003 0.000 0.302 721 G C -1.513 173.636 174.900 0.415 0.000 1.633 721 G CA -1.098 44.176 45.100 0.291 0.000 0.965 721 G HN 0.586 nan 8.290 nan 0.000 0.698 722 K N 0.113 120.673 120.400 0.267 0.000 2.107 722 K HA 0.810 5.128 4.320 -0.003 0.000 0.251 722 K C 1.085 177.722 176.600 0.060 0.000 1.012 722 K CA 1.237 57.624 56.287 0.166 0.000 0.920 722 K CB 1.007 33.556 32.500 0.082 0.000 1.033 722 K HN 2.232 nan 8.250 nan 0.000 0.478 723 G N -0.089 108.729 108.800 0.031 0.000 2.681 723 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.220 723 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.220 723 G C -0.856 173.998 174.900 -0.077 0.000 1.353 723 G CA -0.543 44.511 45.100 -0.076 0.000 0.872 723 G HN 0.556 nan 8.290 nan 0.000 0.557 724 T N 0.908 115.371 114.554 -0.151 0.000 2.829 724 T HA 0.650 4.998 4.350 -0.003 0.000 0.282 724 T C -0.442 174.120 174.700 -0.231 0.000 0.990 724 T CA 0.092 62.177 62.100 -0.024 0.000 1.028 724 T CB 0.901 69.796 68.868 0.045 0.000 0.951 724 T HN 0.484 nan 8.240 nan 0.000 0.460 725 F N 1.486 121.485 119.950 0.082 0.000 2.523 725 F HA 0.539 5.065 4.527 -0.002 0.000 0.329 725 F C 0.696 176.457 175.800 -0.065 0.000 1.061 725 F CA -1.189 56.762 58.000 -0.081 0.000 0.967 725 F CB 1.447 40.264 39.000 -0.304 0.000 1.218 725 F HN 0.207 nan 8.300 nan 0.000 0.480 726 K N 2.010 122.394 120.400 -0.027 0.000 2.293 726 K HA 0.460 4.779 4.320 -0.003 0.000 0.267 726 K C -1.548 174.849 176.600 -0.339 0.000 1.010 726 K CA -0.441 55.783 56.287 -0.106 0.000 0.875 726 K CB 0.969 33.513 32.500 0.073 0.000 1.106 726 K HN 0.293 nan 8.250 nan 0.000 0.450 727 F N 1.816 121.307 119.950 -0.766 0.000 2.408 727 F HA 0.319 4.844 4.527 -0.003 0.000 0.344 727 F C 0.174 175.556 175.800 -0.697 0.000 1.112 727 F CA -0.920 56.585 58.000 -0.824 0.000 1.096 727 F CB 1.350 39.480 39.000 -1.449 0.000 1.129 727 F HN 0.051 nan 8.300 nan 0.000 0.486 728 V N 5.421 125.117 119.914 -0.363 0.000 2.409 728 V HA 0.380 4.498 4.120 -0.003 0.000 0.290 728 V C -0.331 175.485 176.094 -0.464 0.000 1.017 728 V CA -0.759 61.297 62.300 -0.406 0.000 0.841 728 V CB 1.317 32.790 31.823 -0.585 0.000 1.003 728 V HN 0.583 nan 8.190 nan 0.000 0.426 729 M N 4.575 123.948 119.600 -0.379 0.000 2.205 729 M HA 0.553 5.032 4.480 -0.003 0.000 0.344 729 M C 0.155 176.159 176.300 -0.494 0.000 1.085 729 M CA -0.180 54.860 55.300 -0.433 0.000 1.001 729 M CB 1.375 33.778 32.600 -0.329 0.000 1.626 729 M HN 0.728 nan 8.290 nan 0.000 0.442 730 T N -2.214 111.995 114.554 -0.576 0.000 2.927 730 T HA 0.528 4.877 4.350 -0.003 0.000 0.286 730 T C 0.024 174.547 174.700 -0.294 0.000 1.040 730 T CA -0.480 61.335 62.100 -0.475 0.000 1.010 730 T CB 1.614 70.116 68.868 -0.609 0.000 1.177 730 T HN 0.718 nan 8.240 nan 0.000 0.546 731 D N -0.206 120.135 120.400 -0.099 0.000 2.907 731 D HA -0.112 4.526 4.640 -0.003 0.000 0.226 731 D C -0.520 175.756 176.300 -0.040 0.000 1.141 731 D CA 0.538 54.534 54.000 -0.006 0.000 0.779 731 D CB -1.521 39.287 40.800 0.013 0.000 1.095 731 D HN 0.581 nan 8.370 nan 0.000 0.430 732 L N 0.270 121.464 121.223 -0.048 0.000 2.322 732 L HA 0.416 4.755 4.340 -0.003 0.000 0.279 732 L C 0.767 177.796 176.870 0.265 0.000 1.036 732 L CA -1.171 53.699 54.840 0.051 0.000 0.807 732 L CB 1.327 43.231 42.059 -0.257 0.000 1.226 732 L HN -0.034 nan 8.230 nan 0.000 0.433 733 L N 5.808 127.303 121.223 0.454 0.000 2.534 733 L HA 0.214 4.552 4.340 -0.003 0.000 0.271 733 L C -2.188 174.918 176.870 0.394 0.000 1.178 733 L CA -0.762 54.281 54.840 0.339 0.000 0.907 733 L CB -0.006 42.201 42.059 0.247 0.000 1.164 733 L HN 0.280 nan 8.230 nan 0.000 0.482 734 P HA 0.392 nan 4.420 nan 0.000 0.266 734 P C 0.047 177.458 177.300 0.186 0.000 1.195 734 P CA 0.429 63.664 63.100 0.225 0.000 0.768 734 P CB 0.727 32.512 31.700 0.141 0.000 0.838 735 G N 1.263 110.182 108.800 0.199 0.000 2.302 735 G HA2 0.086 4.044 3.960 -0.003 0.000 0.264 735 G HA3 0.086 4.044 3.960 -0.003 0.000 0.264 735 G C -1.327 173.656 174.900 0.137 0.000 1.335 735 G CA -0.677 44.484 45.100 0.102 0.000 0.982 735 G HN 0.405 nan 8.290 nan 0.000 0.473 736 T N 0.991 115.556 114.554 0.018 0.000 2.743 736 T HA 0.539 4.888 4.350 -0.003 0.000 0.293 736 T C -0.867 173.814 174.700 -0.032 0.000 0.945 736 T CA 0.287 62.417 62.100 0.049 0.000 1.030 736 T CB 0.648 69.523 68.868 0.013 0.000 0.912 736 T HN 0.427 nan 8.240 nan 0.000 0.483 737 W N 1.810 123.138 121.300 0.048 0.000 2.578 737 W HA 0.552 5.209 4.660 -0.004 0.000 0.346 737 W C 0.292 176.819 176.519 0.014 0.000 1.075 737 W CA -0.838 56.543 57.345 0.060 0.000 1.233 737 W CB 1.237 30.769 29.460 0.120 0.000 1.358 737 W HN 0.487 nan 8.180 nan 0.000 0.574 738 Q N 1.380 121.315 119.800 0.224 0.000 2.337 738 Q HA 0.637 4.975 4.340 -0.003 0.000 0.266 738 Q C -1.648 174.334 176.000 -0.030 0.000 1.023 738 Q CA -0.591 55.250 55.803 0.064 0.000 0.829 738 Q CB 1.921 30.653 28.738 -0.010 0.000 1.306 738 Q HN 0.376 nan 8.270 nan 0.000 0.449 739 V N 5.114 124.932 119.914 -0.160 0.000 2.384 739 V HA 0.431 4.549 4.120 -0.003 0.000 0.287 739 V C -0.687 175.154 176.094 -0.421 0.000 1.020 739 V CA -0.650 61.388 62.300 -0.437 0.000 0.850 739 V CB 1.275 32.784 31.823 -0.524 0.000 0.987 739 V HN 0.694 nan 8.190 nan 0.000 0.436 740 L N 4.727 125.646 121.223 -0.506 0.000 2.334 740 L HA 0.654 4.992 4.340 -0.003 0.000 0.273 740 L C -0.184 176.340 176.870 -0.578 0.000 1.013 740 L CA -0.199 54.377 54.840 -0.439 0.000 0.816 740 L CB 1.767 43.632 42.059 -0.325 0.000 1.278 740 L HN 0.560 nan 8.230 nan 0.000 0.431 741 K N 1.610 121.674 120.400 -0.560 0.000 2.426 741 K HA 0.364 4.682 4.320 -0.003 0.000 0.254 741 K C -1.022 175.314 176.600 -0.440 0.000 0.936 741 K CA -0.430 55.432 56.287 -0.707 0.000 0.801 741 K CB 1.106 33.074 32.500 -0.886 0.000 1.139 741 K HN 0.598 nan 8.250 nan 0.000 0.424 742 D N 3.110 123.287 120.400 -0.371 0.000 2.911 742 D HA -0.191 4.447 4.640 -0.003 0.000 0.227 742 D C 0.634 176.818 176.300 -0.193 0.000 1.164 742 D CA 1.951 55.811 54.000 -0.233 0.000 0.782 742 D CB -1.255 39.427 40.800 -0.197 0.000 1.094 742 D HN 1.065 nan 8.370 nan 0.000 0.425 743 G N -1.228 107.446 108.800 -0.211 0.000 2.175 743 G HA2 -0.348 3.611 3.960 -0.003 0.000 0.244 743 G HA3 -0.348 3.611 3.960 -0.003 0.000 0.244 743 G C 0.299 175.098 174.900 -0.169 0.000 0.982 743 G CA 0.622 45.623 45.100 -0.166 0.000 0.641 743 G HN 0.516 nan 8.290 nan 0.000 0.527 744 K N -0.432 119.845 120.400 -0.206 0.000 2.328 744 K HA 0.704 5.023 4.320 -0.003 0.000 0.246 744 K C 0.196 176.655 176.600 -0.235 0.000 0.955 744 K CA -1.088 55.083 56.287 -0.193 0.000 0.817 744 K CB 1.924 34.320 32.500 -0.173 0.000 1.208 744 K HN 0.120 nan 8.250 nan 0.000 0.432 745 I N 3.331 123.779 120.570 -0.203 0.000 2.533 745 I HA -0.093 4.076 4.170 -0.003 0.000 0.284 745 I C 0.724 176.673 176.117 -0.280 0.000 1.109 745 I CA 0.231 61.398 61.300 -0.221 0.000 1.412 745 I CB 0.588 38.491 38.000 -0.162 0.000 1.396 745 I HN 0.536 nan 8.210 nan 0.000 0.543 746 L N 8.287 129.290 121.223 -0.367 0.000 2.347 746 L HA 0.222 4.561 4.340 -0.003 0.000 0.196 746 L C -0.413 176.028 176.870 -0.715 0.000 1.072 746 L CA 0.907 55.416 54.840 -0.551 0.000 0.817 746 L CB 0.177 41.872 42.059 -0.607 0.000 1.029 746 L HN 0.393 nan 8.230 nan 0.000 0.478 747 Y N 0.533 120.683 120.300 -0.251 0.000 2.376 747 Y HA 0.369 4.917 4.550 -0.003 0.000 0.326 747 Y C -1.674 174.133 175.900 -0.156 0.000 0.970 747 Y CA -2.010 55.970 58.100 -0.200 0.000 1.248 747 Y CB 0.907 39.203 38.460 -0.273 0.000 1.117 747 Y HN 0.038 nan 8.280 nan 0.000 0.476 748 P HA -0.091 nan 4.420 nan 0.000 0.220 748 P C -0.031 177.279 177.300 0.017 0.000 1.148 748 P CA 1.046 64.138 63.100 -0.014 0.000 0.803 748 P CB 0.668 32.358 31.700 -0.017 0.000 0.782 749 A N -0.526 122.326 122.820 0.053 0.000 2.500 749 A HA 0.599 4.918 4.320 -0.003 0.000 0.288 749 A C -1.113 176.515 177.584 0.073 0.000 1.045 749 A CA -0.492 51.582 52.037 0.061 0.000 0.830 749 A CB 0.319 19.344 19.000 0.043 0.000 1.337 749 A HN -0.022 nan 8.150 nan 0.000 0.400 750 L N 1.040 122.319 121.223 0.094 0.000 2.323 750 L HA 0.707 5.045 4.340 -0.003 0.000 0.265 750 L C 0.153 177.120 176.870 0.163 0.000 1.012 750 L CA -0.831 54.059 54.840 0.083 0.000 0.820 750 L CB 2.512 44.574 42.059 0.006 0.000 1.334 750 L HN 0.611 nan 8.230 nan 0.000 0.427 751 S N 1.092 116.877 115.700 0.142 0.000 2.456 751 S HA 0.627 5.096 4.470 -0.003 0.000 0.316 751 S C -0.189 174.519 174.600 0.180 0.000 1.089 751 S CA -0.581 57.722 58.200 0.173 0.000 1.101 751 S CB 1.615 64.885 63.200 0.116 0.000 0.995 751 S HN 0.618 nan 8.310 nan 0.000 0.468 752 A N 4.315 127.293 122.820 0.263 0.000 2.320 752 A HA 0.514 4.833 4.320 -0.003 0.000 0.287 752 A C 0.123 177.805 177.584 0.163 0.000 1.181 752 A CA -0.503 51.646 52.037 0.187 0.000 0.831 752 A CB 0.282 19.412 19.000 0.216 0.000 1.102 752 A HN 0.755 nan 8.150 nan 0.000 0.513 753 K N 1.505 121.972 120.400 0.111 0.000 2.106 753 K HA 0.469 4.787 4.320 -0.003 0.000 0.246 753 K C 1.426 178.080 176.600 0.089 0.000 0.987 753 K CA -0.017 56.325 56.287 0.091 0.000 0.904 753 K CB 1.153 33.692 32.500 0.065 0.000 1.071 753 K HN 0.657 nan 8.250 nan 0.000 0.453 754 G N 0.536 109.381 108.800 0.075 0.000 2.403 754 G HA2 -0.210 3.749 3.960 -0.003 0.000 0.216 754 G HA3 -0.210 3.749 3.960 -0.003 0.000 0.216 754 G C 0.753 175.693 174.900 0.068 0.000 1.154 754 G CA 0.658 45.803 45.100 0.074 0.000 0.784 754 G HN 0.564 nan 8.290 nan 0.000 0.538 755 D N 0.794 121.221 120.400 0.045 0.000 2.178 755 D HA -0.059 4.579 4.640 -0.003 0.000 0.201 755 D C 1.980 178.316 176.300 0.059 0.000 0.980 755 D CA 1.520 55.535 54.000 0.025 0.000 0.842 755 D CB -0.042 40.743 40.800 -0.025 0.000 0.948 755 D HN 0.536 nan 8.370 nan 0.000 0.472 756 D N -1.798 118.662 120.400 0.100 0.000 2.454 756 D HA 0.116 4.754 4.640 -0.003 0.000 0.214 756 D C 1.288 177.694 176.300 0.177 0.000 1.088 756 D CA 0.550 54.672 54.000 0.203 0.000 0.855 756 D CB -0.604 40.320 40.800 0.206 0.000 1.025 756 D HN 0.049 nan 8.370 nan 0.000 0.502 757 G N 0.550 109.419 108.800 0.115 0.000 2.412 757 G HA2 0.081 4.040 3.960 -0.003 0.000 0.297 757 G HA3 0.081 4.040 3.960 -0.003 0.000 0.297 757 G C 0.265 175.164 174.900 -0.003 0.000 0.965 757 G CA 0.544 45.698 45.100 0.089 0.000 1.134 757 G HN 0.872 nan 8.290 nan 0.000 0.511 758 A N -0.110 122.692 122.820 -0.029 0.000 2.515 758 A HA 0.912 5.231 4.320 -0.003 0.000 0.296 758 A C -0.412 177.120 177.584 -0.087 0.000 1.094 758 A CA -0.809 51.144 52.037 -0.141 0.000 0.718 758 A CB 1.530 20.404 19.000 -0.209 0.000 1.307 758 A HN 0.756 nan 8.150 nan 0.000 0.408 759 L N 0.969 122.118 121.223 -0.124 0.000 2.365 759 L HA 0.552 4.890 4.340 -0.003 0.000 0.273 759 L C -1.285 175.645 176.870 0.101 0.000 1.000 759 L CA -0.627 54.225 54.840 0.020 0.000 0.819 759 L CB 1.941 44.014 42.059 0.024 0.000 1.284 759 L HN 0.831 nan 8.230 nan 0.000 0.418 760 Y N 4.386 124.727 120.300 0.068 0.000 2.391 760 Y HA 0.697 5.245 4.550 -0.003 0.000 0.341 760 Y C -1.032 174.958 175.900 0.149 0.000 0.965 760 Y CA -0.961 57.153 58.100 0.023 0.000 1.067 760 Y CB 1.561 40.050 38.460 0.049 0.000 1.199 760 Y HN 0.441 nan 8.280 nan 0.000 0.450 761 F N 1.414 120.931 119.950 -0.721 0.000 2.773 761 F HA 0.605 5.130 4.527 -0.003 0.000 0.314 761 F C -1.686 173.860 175.800 -0.423 0.000 1.160 761 F CA -1.296 56.378 58.000 -0.544 0.000 0.920 761 F CB 1.154 39.777 39.000 -0.628 0.000 1.323 761 F HN 0.369 nan 8.300 nan 0.000 0.457 762 E N 0.108 120.345 120.200 0.063 0.000 2.222 762 E HA 0.731 5.079 4.350 -0.003 0.000 0.272 762 E C -0.487 176.366 176.600 0.421 0.000 0.982 762 E CA -1.116 55.401 56.400 0.196 0.000 0.842 762 E CB 2.121 31.945 29.700 0.207 0.000 1.144 762 E HN 1.046 nan 8.360 nan 0.000 0.397 763 G N 0.327 109.420 108.800 0.489 0.000 2.489 763 G HA2 0.372 4.330 3.960 -0.003 0.000 0.291 763 G HA3 0.372 4.330 3.960 -0.003 0.000 0.291 763 G C -0.739 174.556 174.900 0.658 0.000 1.487 763 G CA -0.531 44.881 45.100 0.521 0.000 0.795 763 G HN 0.477 nan 8.290 nan 0.000 0.513 764 T N -2.136 112.735 114.554 0.527 0.000 2.870 764 T HA 0.722 5.071 4.350 -0.003 0.000 0.277 764 T C 0.452 175.444 174.700 0.488 0.000 1.000 764 T CA -0.310 62.094 62.100 0.506 0.000 0.982 764 T CB 1.417 70.462 68.868 0.294 0.000 1.249 764 T HN 0.944 nan 8.240 nan 0.000 0.589 765 E N -0.308 120.108 120.200 0.359 0.000 2.418 765 E HA 0.468 4.816 4.350 -0.003 0.000 0.261 765 E C 0.459 177.166 176.600 0.179 0.000 1.070 765 E CA -0.637 55.903 56.400 0.233 0.000 0.931 765 E CB -0.187 29.612 29.700 0.165 0.000 0.954 765 E HN 1.194 nan 8.360 nan 0.000 0.439 766 G N 0.919 109.812 108.800 0.155 0.000 2.369 766 G HA2 0.154 4.113 3.960 -0.003 0.000 0.293 766 G HA3 0.154 4.113 3.960 -0.003 0.000 0.293 766 G C -1.018 173.894 174.900 0.020 0.000 1.301 766 G CA -0.428 44.676 45.100 0.006 0.000 0.913 766 G HN 0.777 nan 8.290 nan 0.000 0.540 767 T N -0.746 113.736 114.554 -0.121 0.000 2.733 767 T HA 0.618 4.966 4.350 -0.003 0.000 0.294 767 T C -0.813 173.716 174.700 -0.286 0.000 0.956 767 T CA -0.253 61.786 62.100 -0.101 0.000 0.987 767 T CB 1.075 69.891 68.868 -0.087 0.000 0.920 767 T HN 0.447 nan 8.240 nan 0.000 0.470 768 Y N 1.830 121.935 120.300 -0.326 0.000 2.342 768 Y HA 0.671 5.219 4.550 -0.003 0.000 0.334 768 Y C 0.579 176.154 175.900 -0.541 0.000 1.067 768 Y CA -1.012 56.767 58.100 -0.536 0.000 1.128 768 Y CB 1.657 39.692 38.460 -0.709 0.000 1.200 768 Y HN 0.581 nan 8.280 nan 0.000 0.464 769 R N 2.187 122.359 120.500 -0.546 0.000 2.686 769 R HA 0.641 4.979 4.340 -0.003 0.000 0.286 769 R C -2.318 173.565 176.300 -0.696 0.000 0.969 769 R CA -0.897 54.948 56.100 -0.424 0.000 0.898 769 R CB 0.778 30.922 30.300 -0.259 0.000 1.183 769 R HN 0.474 nan 8.270 nan 0.000 0.456 770 F N 4.405 124.127 119.950 -0.381 0.000 2.518 770 F HA 0.503 5.029 4.527 -0.002 0.000 0.323 770 F C -0.586 175.251 175.800 0.061 0.000 1.129 770 F CA -0.680 57.174 58.000 -0.244 0.000 0.920 770 F CB 1.581 40.162 39.000 -0.699 0.000 1.160 770 F HN 0.105 nan 8.300 nan 0.000 0.440 771 L N 3.932 125.311 121.223 0.260 0.000 2.329 771 L HA 0.768 5.106 4.340 -0.003 0.000 0.279 771 L C -0.205 176.596 176.870 -0.114 0.000 1.014 771 L CA -0.858 54.032 54.840 0.084 0.000 0.814 771 L CB 2.081 44.131 42.059 -0.015 0.000 1.257 771 L HN 0.573 nan 8.230 nan 0.000 0.424 772 R N 0.000 120.266 120.500 -0.389 0.000 2.786 772 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 772 R CA 0.000 55.620 56.100 -0.800 0.000 0.921 772 R CB 0.000 29.310 30.300 -1.650 0.000 0.687 772 R HN 0.000 nan 8.270 nan 0.000 0.535