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 2p6g_1_F DATA FIRST_RESID 5 DATA SEQUENCE DKAKKLENLL KLLQLNNXXX XXXXXXXXXX XXXHKFWRTQ PVKDFDEKVV DATA SEQUENCE EEGPIDKPKT PEDISDKPLP LLSSFEWCSI DVDNKKQLED VFVLLNENYV DATA SEQUENCE EDRDAGFRFN YTKEFFNWAL KSPGWKKDWH IGVRVKETQK LVAFISAIPV DATA SEQUENCE TLGVRGKQVP SVEINFLCVH KQLRSKRLTP VLIKEITRRV NKCDIWHALY DATA SEQUENCE TAGIVLPAPV STCRYTHRPL NWKKLYEVDF TGLPDGHTEE DMIAENALPA DATA SEQUENCE KTKTAGLRKL KKEDIDQVFE LFKRYQSRFE LIQIFTKEEF EHNFIGEESL DATA SEQUENCE PLDKQVIFSY VVEQPDGKIT DFFSFYSLPF TILNNTKYKD LGIGYLYYYA DATA SEQUENCE TDADFQFKDR FDPKATKALK TRLCELIYDA CILAKNANMD VFNALTSQDN DATA SEQUENCE TLFLDDLKFG PGDGFLNFYL FNYRAKPITG GLNPDNSNDI KRRSNVGVVM DATA SEQUENCE L 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.322 176.300 0.037 0.000 2.045 5 D CA 0.000 54.025 54.000 0.042 0.000 0.868 5 D CB 0.000 40.819 40.800 0.032 0.000 0.688 6 K N 1.610 122.035 120.400 0.042 0.000 2.362 6 K HA 0.122 4.442 4.320 0.000 0.000 0.200 6 K C 1.870 178.502 176.600 0.053 0.000 1.046 6 K CA 0.859 57.170 56.287 0.039 0.000 0.952 6 K CB 0.023 32.548 32.500 0.042 0.000 0.753 6 K HN 0.255 nan 8.250 nan 0.000 0.466 7 A N 2.052 124.922 122.820 0.084 0.000 1.883 7 A HA -0.211 4.109 4.320 0.000 0.000 0.217 7 A C 2.087 179.662 177.584 -0.015 0.000 1.186 7 A CA 1.625 53.743 52.037 0.135 0.000 0.624 7 A CB -0.313 18.812 19.000 0.209 0.000 0.822 7 A HN 0.248 nan 8.150 nan 0.000 0.444 8 K N -0.405 119.989 120.400 -0.009 0.000 2.057 8 K HA -0.178 4.142 4.320 0.000 0.000 0.207 8 K C 2.235 178.782 176.600 -0.088 0.000 1.049 8 K CA 1.610 57.861 56.287 -0.060 0.000 0.931 8 K CB -0.169 32.326 32.500 -0.009 0.000 0.714 8 K HN 0.543 nan 8.250 nan 0.000 0.440 9 K N 1.021 121.395 120.400 -0.045 0.000 1.978 9 K HA -0.186 4.134 4.320 0.000 0.000 0.214 9 K C 2.046 178.612 176.600 -0.057 0.000 1.049 9 K CA 1.389 57.654 56.287 -0.037 0.000 0.939 9 K CB -0.105 32.391 32.500 -0.008 0.000 0.721 9 K HN -0.070 nan 8.250 nan 0.000 0.441 10 L N 1.692 122.890 121.223 -0.043 0.000 2.083 10 L HA -0.131 4.209 4.340 0.000 0.000 0.209 10 L C 2.450 179.254 176.870 -0.109 0.000 1.083 10 L CA 1.701 56.525 54.840 -0.026 0.000 0.752 10 L CB -0.627 41.467 42.059 0.059 0.000 0.899 10 L HN 0.386 nan 8.230 nan 0.000 0.433 11 E N -0.631 119.371 120.200 -0.331 0.000 2.265 11 E HA -0.222 4.128 4.350 0.000 0.000 0.196 11 E C 1.608 178.036 176.600 -0.286 0.000 0.996 11 E CA 0.929 56.954 56.400 -0.624 0.000 0.832 11 E CB 0.127 29.070 29.700 -1.261 0.000 0.756 11 E HN 0.519 nan 8.360 nan 0.000 0.491 12 N N 0.106 118.700 118.700 -0.177 0.000 2.305 12 N HA -0.045 4.695 4.740 0.000 0.000 0.179 12 N C 1.847 177.316 175.510 -0.068 0.000 1.019 12 N CA 0.518 53.507 53.050 -0.101 0.000 0.869 12 N CB -0.136 38.307 38.487 -0.073 0.000 1.000 12 N HN 0.144 nan 8.380 nan 0.000 0.431 13 L N 0.627 121.816 121.223 -0.056 0.000 2.191 13 L HA -0.094 4.246 4.340 0.000 0.000 0.212 13 L C 2.099 178.945 176.870 -0.039 0.000 1.103 13 L CA 0.654 55.472 54.840 -0.036 0.000 0.769 13 L CB -0.329 41.718 42.059 -0.021 0.000 0.908 13 L HN 0.107 nan 8.230 nan 0.000 0.438 14 L N -0.828 120.368 121.223 -0.046 0.000 2.095 14 L HA -0.123 4.217 4.340 0.000 0.000 0.204 14 L C 2.423 179.249 176.870 -0.073 0.000 1.080 14 L CA 1.635 56.450 54.840 -0.041 0.000 0.759 14 L CB -0.315 41.745 42.059 0.002 0.000 0.914 14 L HN 0.086 nan 8.230 nan 0.000 0.439 15 K N -0.772 119.585 120.400 -0.070 0.000 2.057 15 K HA -0.063 4.257 4.320 0.000 0.000 0.206 15 K C 1.908 178.465 176.600 -0.072 0.000 1.050 15 K CA 1.261 57.507 56.287 -0.067 0.000 0.935 15 K CB -0.178 32.295 32.500 -0.045 0.000 0.715 15 K HN 0.290 nan 8.250 nan 0.000 0.439 16 L N 0.912 122.101 121.223 -0.056 0.000 2.362 16 L HA -0.115 4.225 4.340 0.000 0.000 0.219 16 L C 2.218 179.055 176.870 -0.055 0.000 1.134 16 L CA 0.240 55.055 54.840 -0.042 0.000 0.807 16 L CB -0.308 41.735 42.059 -0.027 0.000 0.927 16 L HN 0.178 nan 8.230 nan 0.000 0.447 17 L N -0.734 120.438 121.223 -0.085 0.000 2.127 17 L HA -0.102 4.238 4.340 0.000 0.000 0.203 17 L C 2.467 179.198 176.870 -0.233 0.000 1.080 17 L CA 1.500 56.274 54.840 -0.110 0.000 0.768 17 L CB -0.221 41.780 42.059 -0.097 0.000 0.924 17 L HN 0.157 nan 8.230 nan 0.000 0.444 18 Q N 0.318 119.914 119.800 -0.341 0.000 2.269 18 Q HA 0.058 4.398 4.340 0.000 0.000 0.201 18 Q C 0.844 176.628 176.000 -0.360 0.000 0.946 18 Q CA 0.341 55.730 55.803 -0.691 0.000 0.877 18 Q CB -0.154 28.259 28.738 -0.542 0.000 0.963 18 Q HN 0.597 nan 8.270 nan 0.000 0.472 19 L N 1.109 122.257 121.223 -0.125 0.000 2.529 19 L HA 0.001 4.341 4.340 0.000 0.000 0.287 19 L C 0.298 177.220 176.870 0.086 0.000 1.241 19 L CA 0.243 55.084 54.840 0.002 0.000 0.857 19 L CB 0.321 42.384 42.059 0.007 0.000 1.113 19 L HN 0.219 nan 8.230 nan 0.000 0.504 20 N N 0.950 119.728 118.700 0.130 0.000 2.844 20 N HA 0.161 4.901 4.740 0.000 0.000 0.347 20 N C -0.394 175.193 175.510 0.128 0.000 0.787 20 N CA -0.418 52.729 53.050 0.162 0.000 1.609 20 N CB 0.448 39.092 38.487 0.262 0.000 0.995 20 N HN 0.717 nan 8.380 nan 0.000 1.595 39 K N 0.617 121.147 120.400 0.217 0.000 3.225 39 K HA 0.095 4.415 4.320 0.000 0.000 0.282 39 K C 0.317 177.043 176.600 0.211 0.000 1.060 39 K CA 0.245 56.631 56.287 0.166 0.000 1.186 39 K CB 0.204 32.766 32.500 0.104 0.000 1.214 39 K HN 0.195 nan 8.250 nan 0.000 0.428 40 F N -2.558 117.406 119.950 0.022 0.000 1.827 40 F HA 0.098 4.625 4.527 -0.000 0.000 0.264 40 F C 0.228 175.966 175.800 -0.103 0.000 1.109 40 F CA -0.432 57.492 58.000 -0.127 0.000 1.264 40 F CB -0.051 38.757 39.000 -0.319 0.000 1.648 40 F HN 0.021 nan 8.300 nan 0.000 0.513 41 W N 1.948 123.131 121.300 -0.195 0.000 2.421 41 W HA 0.040 4.700 4.660 0.000 0.000 0.270 41 W C 2.233 178.646 176.519 -0.178 0.000 1.233 41 W CA 0.999 58.164 57.345 -0.300 0.000 1.226 41 W CB -0.296 29.094 29.460 -0.116 0.000 1.121 41 W HN -0.048 nan 8.180 nan 0.000 0.579 42 R N -0.344 120.231 120.500 0.125 0.000 2.096 42 R HA -0.102 4.238 4.340 0.000 0.000 0.235 42 R C 1.793 178.102 176.300 0.016 0.000 1.127 42 R CA 1.710 57.863 56.100 0.089 0.000 0.968 42 R CB -0.815 29.560 30.300 0.124 0.000 0.861 42 R HN 0.101 nan 8.270 nan 0.000 0.440 43 T N -1.227 113.295 114.554 -0.052 0.000 3.287 43 T HA 0.205 4.555 4.350 0.000 0.000 0.253 43 T C 0.065 174.681 174.700 -0.140 0.000 0.975 43 T CA -0.348 61.708 62.100 -0.074 0.000 0.912 43 T CB 0.283 69.122 68.868 -0.048 0.000 1.071 43 T HN -0.133 nan 8.240 nan 0.000 0.578 44 Q N 1.944 121.678 119.800 -0.111 0.000 2.423 44 Q HA 0.395 4.735 4.340 0.000 0.000 0.278 44 Q C -2.916 173.087 176.000 0.006 0.000 1.097 44 Q CA -2.380 53.393 55.803 -0.050 0.000 0.809 44 Q CB 2.436 31.162 28.738 -0.021 0.000 1.391 44 Q HN 0.078 nan 8.270 nan 0.000 0.428 45 P HA 0.093 nan 4.420 nan 0.000 0.244 45 P C -0.553 176.661 177.300 -0.143 0.000 1.769 45 P CA 0.041 63.055 63.100 -0.144 0.000 1.102 45 P CB -0.196 31.339 31.700 -0.274 0.000 1.937 46 V N -0.781 119.109 119.914 -0.039 0.000 2.962 46 V HA 0.507 4.627 4.120 0.000 0.000 0.313 46 V C 0.145 176.194 176.094 -0.076 0.000 1.099 46 V CA -1.567 60.715 62.300 -0.029 0.000 0.971 46 V CB 2.376 34.202 31.823 0.006 0.000 1.028 46 V HN 0.115 nan 8.190 nan 0.000 0.430 47 K N 1.403 121.748 120.400 -0.092 0.000 2.485 47 K HA 0.075 4.395 4.320 0.000 0.000 0.277 47 K C -0.656 175.819 176.600 -0.209 0.000 0.990 47 K CA 0.155 56.370 56.287 -0.120 0.000 0.994 47 K CB 0.574 33.012 32.500 -0.104 0.000 0.906 47 K HN 0.978 nan 8.250 nan 0.000 0.488 48 D N 2.352 122.659 120.400 -0.155 0.000 2.181 48 D HA 0.141 4.781 4.640 0.000 0.000 0.248 48 D C 0.708 176.929 176.300 -0.131 0.000 1.020 48 D CA -0.576 53.327 54.000 -0.162 0.000 0.891 48 D CB 0.616 41.409 40.800 -0.012 0.000 1.187 48 D HN 0.397 nan 8.370 nan 0.000 0.443 49 F N 0.568 120.514 119.950 -0.007 0.000 2.236 49 F HA -0.166 4.361 4.527 -0.000 0.000 0.302 49 F C 2.062 177.867 175.800 0.008 0.000 1.073 49 F CA 1.204 59.206 58.000 0.003 0.000 1.336 49 F CB -0.218 38.786 39.000 0.006 0.000 1.040 49 F HN 0.426 nan 8.300 nan 0.000 0.507 50 D N -0.194 120.310 120.400 0.173 0.000 2.333 50 D HA -0.088 4.552 4.640 0.000 0.000 0.208 50 D C 0.611 176.944 176.300 0.055 0.000 0.984 50 D CA 0.065 54.127 54.000 0.103 0.000 0.873 50 D CB -0.880 39.974 40.800 0.090 0.000 0.935 50 D HN 0.346 nan 8.370 nan 0.000 0.521 51 E N 0.783 121.003 120.200 0.032 0.000 2.366 51 E HA 0.014 4.364 4.350 0.000 0.000 0.266 51 E C -0.526 176.076 176.600 0.004 0.000 1.015 51 E CA -0.289 56.115 56.400 0.007 0.000 0.906 51 E CB 0.504 30.195 29.700 -0.015 0.000 0.979 51 E HN -0.205 nan 8.360 nan 0.000 0.443 52 K N 4.763 125.164 120.400 0.002 0.000 2.360 52 K HA 0.179 4.499 4.320 0.000 0.000 0.235 52 K C -1.349 175.246 176.600 -0.010 0.000 1.077 52 K CA -0.524 55.763 56.287 0.000 0.000 1.035 52 K CB 0.427 32.930 32.500 0.005 0.000 1.623 52 K HN 0.260 nan 8.250 nan 0.000 0.462 53 V N 4.208 124.112 119.914 -0.017 0.000 2.673 53 V HA -0.029 4.091 4.120 0.000 0.000 0.303 53 V C 1.100 177.179 176.094 -0.026 0.000 1.046 53 V CA 0.084 62.366 62.300 -0.029 0.000 1.126 53 V CB 1.084 32.883 31.823 -0.041 0.000 0.934 53 V HN 0.527 nan 8.190 nan 0.000 0.487 54 V N 2.739 122.634 119.914 -0.031 0.000 3.050 54 V HA 0.155 4.275 4.120 0.000 0.000 0.223 54 V C 0.900 176.972 176.094 -0.036 0.000 1.162 54 V CA 0.231 62.515 62.300 -0.027 0.000 1.247 54 V CB -0.159 31.651 31.823 -0.021 0.000 1.125 54 V HN 0.878 nan 8.190 nan 0.000 0.508 55 E N 1.194 121.366 120.200 -0.047 0.000 2.338 55 E HA 0.128 4.478 4.350 0.000 0.000 0.272 55 E C -0.618 175.919 176.600 -0.105 0.000 1.029 55 E CA -0.075 56.288 56.400 -0.061 0.000 0.872 55 E CB 0.567 30.233 29.700 -0.057 0.000 1.015 55 E HN 0.484 nan 8.360 nan 0.000 0.417 56 E N 2.421 122.549 120.200 -0.119 0.000 2.133 56 E HA 0.528 4.878 4.350 0.000 0.000 0.274 56 E C -0.218 176.167 176.600 -0.359 0.000 0.930 56 E CA -0.551 55.708 56.400 -0.235 0.000 0.770 56 E CB 1.801 31.441 29.700 -0.100 0.000 1.104 56 E HN 0.690 nan 8.360 nan 0.000 0.403 57 G N 3.163 111.560 108.800 -0.672 0.000 2.428 57 G HA2 0.245 4.205 3.960 0.000 0.000 0.305 57 G HA3 0.245 4.205 3.960 0.000 0.000 0.305 57 G C -3.022 171.561 174.900 -0.528 0.000 1.260 57 G CA -0.876 43.880 45.100 -0.574 0.000 0.853 57 G HN 0.232 nan 8.290 nan 0.000 0.480 58 P HA 0.383 nan 4.420 nan 0.000 0.269 58 P C 0.372 177.667 177.300 -0.008 0.000 1.215 58 P CA -0.112 63.055 63.100 0.113 0.000 0.780 58 P CB 0.892 32.718 31.700 0.209 0.000 0.898 59 I N -0.577 120.001 120.570 0.014 0.000 3.039 59 I HA 0.107 4.277 4.170 0.000 0.000 0.270 59 I C 0.457 176.573 176.117 -0.001 0.000 1.150 59 I CA 0.623 61.907 61.300 -0.027 0.000 1.448 59 I CB -0.124 37.842 38.000 -0.058 0.000 1.197 59 I HN 0.220 nan 8.210 nan 0.000 0.450 60 D N 2.655 123.071 120.400 0.027 0.000 2.295 60 D HA 0.138 4.778 4.640 0.000 0.000 0.248 60 D C -0.268 176.098 176.300 0.110 0.000 1.154 60 D CA -0.382 53.656 54.000 0.064 0.000 0.857 60 D CB 0.644 41.484 40.800 0.068 0.000 1.117 60 D HN 0.096 nan 8.370 nan 0.000 0.468 61 K N 2.638 123.076 120.400 0.064 0.000 2.561 61 K HA 0.119 4.439 4.320 0.000 0.000 0.280 61 K C -2.313 174.288 176.600 0.002 0.000 0.975 61 K CA -0.989 55.314 56.287 0.027 0.000 1.024 61 K CB -0.158 32.349 32.500 0.012 0.000 0.883 61 K HN 0.126 nan 8.250 nan 0.000 0.496 62 P HA -0.069 nan 4.420 nan 0.000 0.255 62 P C -0.959 176.191 177.300 -0.250 0.000 1.173 62 P CA 0.467 63.371 63.100 -0.326 0.000 0.780 62 P CB 0.358 31.900 31.700 -0.262 0.000 0.758 63 K N 1.292 121.518 120.400 -0.289 0.000 2.245 63 K HA 0.650 4.970 4.320 0.000 0.000 0.234 63 K C 0.631 177.124 176.600 -0.179 0.000 1.021 63 K CA -0.744 55.536 56.287 -0.011 0.000 0.898 63 K CB 1.261 33.989 32.500 0.380 0.000 1.163 63 K HN 0.365 nan 8.250 nan 0.000 0.459 64 T N -3.029 111.552 114.554 0.044 0.000 2.927 64 T HA 0.317 4.667 4.350 0.000 0.000 0.286 64 T C -2.293 172.552 174.700 0.241 0.000 1.040 64 T CA -2.112 60.024 62.100 0.060 0.000 1.010 64 T CB 1.436 70.307 68.868 0.005 0.000 1.177 64 T HN 0.161 nan 8.240 nan 0.000 0.546 65 P HA 0.018 nan 4.420 nan 0.000 0.234 65 P C 0.775 178.131 177.300 0.093 0.000 1.162 65 P CA 0.688 63.884 63.100 0.160 0.000 0.759 65 P CB 0.034 31.802 31.700 0.115 0.000 0.813 66 E N -1.136 119.114 120.200 0.083 0.000 2.474 66 E HA 0.031 4.381 4.350 0.000 0.000 0.195 66 E C 0.621 177.255 176.600 0.057 0.000 1.039 66 E CA 0.402 56.833 56.400 0.052 0.000 0.881 66 E CB 0.037 29.758 29.700 0.035 0.000 0.970 66 E HN 0.416 nan 8.360 nan 0.000 0.486 67 D N 0.142 120.597 120.400 0.092 0.000 2.417 67 D HA 0.126 4.766 4.640 0.000 0.000 0.207 67 D C 0.074 176.414 176.300 0.067 0.000 1.075 67 D CA 0.153 54.207 54.000 0.090 0.000 0.851 67 D CB 1.189 42.073 40.800 0.141 0.000 0.976 67 D HN 0.096 nan 8.370 nan 0.000 0.505 68 I N 0.698 121.300 120.570 0.055 0.000 2.436 68 I HA 0.066 4.236 4.170 0.000 0.000 0.289 68 I C 0.924 177.028 176.117 -0.022 0.000 1.010 68 I CA -0.309 60.985 61.300 -0.010 0.000 1.098 68 I CB 2.189 40.147 38.000 -0.071 0.000 1.266 68 I HN -0.293 nan 8.210 nan 0.000 0.434 69 S N 2.929 118.605 115.700 -0.041 0.000 2.852 69 S HA -0.049 4.421 4.470 0.000 0.000 0.242 69 S C 0.728 175.300 174.600 -0.046 0.000 1.477 69 S CA 0.322 58.498 58.200 -0.039 0.000 1.126 69 S CB 0.060 63.232 63.200 -0.047 0.000 0.699 69 S HN 0.825 nan 8.310 nan 0.000 0.437 70 D N -0.356 120.012 120.400 -0.053 0.000 2.489 70 D HA 0.065 4.705 4.640 0.000 0.000 0.343 70 D C -0.962 175.298 176.300 -0.066 0.000 1.295 70 D CA 0.003 53.970 54.000 -0.055 0.000 0.908 70 D CB 0.311 41.093 40.800 -0.031 0.000 1.382 70 D HN 0.502 nan 8.370 nan 0.000 0.468 71 K N 1.689 122.046 120.400 -0.072 0.000 2.206 71 K HA 0.531 4.851 4.320 0.000 0.000 0.264 71 K C -2.804 173.726 176.600 -0.116 0.000 0.967 71 K CA -1.579 54.668 56.287 -0.066 0.000 0.844 71 K CB 1.958 34.439 32.500 -0.032 0.000 1.099 71 K HN -0.226 nan 8.250 nan 0.000 0.441 72 P HA -0.013 nan 4.420 nan 0.000 0.262 72 P C 0.076 177.321 177.300 -0.093 0.000 1.199 72 P CA -0.054 62.876 63.100 -0.284 0.000 0.763 72 P CB 0.488 32.024 31.700 -0.274 0.000 0.790 73 L N 5.773 126.919 121.223 -0.129 0.000 2.529 73 L HA 0.041 4.381 4.340 0.000 0.000 0.287 73 L C -1.372 175.677 176.870 0.299 0.000 1.241 73 L CA -1.280 53.603 54.840 0.072 0.000 0.857 73 L CB -0.500 41.580 42.059 0.034 0.000 1.113 73 L HN 0.267 nan 8.230 nan 0.000 0.504 74 P HA 0.147 nan 4.420 nan 0.000 0.271 74 P C -0.867 176.514 177.300 0.134 0.000 1.216 74 P CA -0.073 63.117 63.100 0.150 0.000 0.771 74 P CB 0.828 32.572 31.700 0.074 0.000 0.864 75 L N 0.980 122.242 121.223 0.065 0.000 2.235 75 L HA 0.591 4.931 4.340 0.000 0.000 0.260 75 L C -0.243 176.625 176.870 -0.003 0.000 1.025 75 L CA -1.614 53.210 54.840 -0.027 0.000 0.836 75 L CB 0.731 42.642 42.059 -0.247 0.000 1.395 75 L HN 0.085 nan 8.230 nan 0.000 0.443 76 L N 1.614 122.854 121.223 0.028 0.000 2.483 76 L HA 0.153 4.493 4.340 0.000 0.000 0.276 76 L C 0.807 177.665 176.870 -0.019 0.000 1.213 76 L CA -0.194 54.666 54.840 0.032 0.000 0.843 76 L CB 1.048 43.154 42.059 0.077 0.000 1.107 76 L HN 0.860 nan 8.230 nan 0.000 0.487 77 S N 1.124 116.771 115.700 -0.089 0.000 2.560 77 S HA 0.401 4.871 4.470 0.000 0.000 0.284 77 S C 0.903 175.312 174.600 -0.318 0.000 1.327 77 S CA -0.103 58.008 58.200 -0.147 0.000 1.055 77 S CB 1.209 64.341 63.200 -0.113 0.000 0.868 77 S HN 1.085 nan 8.310 nan 0.000 0.506 78 S N 0.493 116.006 115.700 -0.312 0.000 1.830 78 S HA -0.099 4.371 4.470 0.000 0.000 0.248 78 S C 0.180 174.494 174.600 -0.476 0.000 1.098 78 S CA 0.477 58.403 58.200 -0.456 0.000 1.269 78 S CB -2.406 nan 63.200 nan 0.000 1.554 78 S HN 0.693 nan 8.310 nan 0.000 0.560 79 F N 1.620 121.492 119.950 -0.130 0.000 2.535 79 F HA 0.743 5.270 4.527 0.000 0.000 0.367 79 F C 0.681 176.364 175.800 -0.194 0.000 1.096 79 F CA -0.000 57.893 58.000 -0.178 0.000 1.088 79 F CB 1.140 39.991 39.000 -0.248 0.000 1.387 79 F HN 0.531 nan 8.300 nan 0.000 0.494 80 E N -0.739 119.451 120.200 -0.016 0.000 2.442 80 E HA 0.276 4.626 4.350 0.000 0.000 0.278 80 E C -2.400 174.042 176.600 -0.263 0.000 1.082 80 E CA -1.079 55.249 56.400 -0.120 0.000 0.861 80 E CB 1.218 30.923 29.700 0.009 0.000 1.462 80 E HN 0.473 nan 8.360 nan 0.000 0.458 81 W N 1.658 122.964 121.300 0.010 0.000 2.376 81 W HA 0.570 5.230 4.660 0.000 0.000 0.312 81 W C 0.242 176.762 176.519 0.003 0.000 1.060 81 W CA -0.622 56.716 57.345 -0.011 0.000 1.221 81 W CB 1.330 30.770 29.460 -0.034 0.000 1.281 81 W HN 0.758 nan 8.180 nan 0.000 0.456 82 C N 0.851 120.277 119.300 0.211 0.000 2.451 82 C HA 0.889 5.349 4.460 0.000 0.000 0.391 82 C C 0.141 175.231 174.990 0.166 0.000 1.286 82 C CA -0.654 58.456 59.018 0.153 0.000 1.935 82 C CB 1.305 29.106 27.740 0.101 0.000 2.188 82 C HN 0.558 nan 8.230 nan 0.000 0.523 83 S N 1.396 117.178 115.700 0.136 0.000 2.605 83 S HA 0.559 5.029 4.470 0.000 0.000 0.308 83 S C -0.572 174.132 174.600 0.172 0.000 1.113 83 S CA -0.303 57.988 58.200 0.151 0.000 1.049 83 S CB 0.753 64.024 63.200 0.119 0.000 1.001 83 S HN 0.616 nan 8.310 nan 0.000 0.480 84 I N 3.248 123.959 120.570 0.235 0.000 2.471 84 I HA 0.181 4.351 4.170 0.000 0.000 0.286 84 I C 0.384 176.664 176.117 0.271 0.000 1.079 84 I CA -0.201 61.231 61.300 0.220 0.000 1.398 84 I CB 0.357 38.511 38.000 0.257 0.000 1.403 84 I HN 0.602 nan 8.210 nan 0.000 0.530 85 D N 5.679 126.196 120.400 0.194 0.000 2.349 85 D HA 0.275 4.915 4.640 0.000 0.000 0.232 85 D C 0.933 177.308 176.300 0.124 0.000 1.071 85 D CA -0.548 53.604 54.000 0.254 0.000 0.832 85 D CB 1.604 42.534 40.800 0.217 0.000 1.086 85 D HN 0.252 nan 8.370 nan 0.000 0.504 86 V N 3.306 123.254 119.914 0.056 0.000 2.469 86 V HA -0.176 3.944 4.120 0.000 0.000 0.251 86 V C 1.394 177.435 176.094 -0.088 0.000 1.064 86 V CA 1.504 63.712 62.300 -0.154 0.000 1.066 86 V CB -0.372 31.207 31.823 -0.405 0.000 0.667 86 V HN 0.661 nan 8.190 nan 0.000 0.461 87 D N 0.128 120.519 120.400 -0.015 0.000 2.363 87 D HA 0.000 4.640 4.640 0.000 0.000 0.226 87 D C 0.660 176.993 176.300 0.055 0.000 1.020 87 D CA 0.257 54.278 54.000 0.035 0.000 0.892 87 D CB -0.271 40.601 40.800 0.119 0.000 0.900 87 D HN 0.392 nan 8.370 nan 0.000 0.531 88 N N 1.119 119.847 118.700 0.047 0.000 2.426 88 N HA 0.010 4.750 4.740 0.000 0.000 0.275 88 N C 0.920 176.438 175.510 0.014 0.000 1.019 88 N CA -0.306 52.766 53.050 0.036 0.000 0.941 88 N CB 1.686 40.197 38.487 0.039 0.000 1.123 88 N HN -0.306 nan 8.380 nan 0.000 0.486 89 K N 3.886 124.299 120.400 0.022 0.000 1.987 89 K HA -0.145 4.175 4.320 0.000 0.000 0.216 89 K C 1.128 177.720 176.600 -0.013 0.000 1.051 89 K CA 1.914 58.215 56.287 0.025 0.000 0.942 89 K CB 0.027 32.547 32.500 0.032 0.000 0.722 89 K HN 0.563 nan 8.250 nan 0.000 0.444 90 K N 0.071 120.455 120.400 -0.027 0.000 2.025 90 K HA -0.125 4.195 4.320 0.000 0.000 0.207 90 K C 2.427 178.958 176.600 -0.116 0.000 1.049 90 K CA 1.548 57.796 56.287 -0.066 0.000 0.933 90 K CB -0.166 32.310 32.500 -0.040 0.000 0.714 90 K HN 0.299 nan 8.250 nan 0.000 0.438 91 Q N 0.503 120.256 119.800 -0.079 0.000 2.234 91 Q HA -0.171 4.169 4.340 0.000 0.000 0.206 91 Q C 2.065 177.958 176.000 -0.179 0.000 0.980 91 Q CA 1.005 56.753 55.803 -0.091 0.000 0.869 91 Q CB -0.010 28.714 28.738 -0.023 0.000 0.912 91 Q HN 0.179 nan 8.270 nan 0.000 0.436 92 L N 0.406 121.513 121.223 -0.193 0.000 2.162 92 L HA -0.063 4.277 4.340 0.000 0.000 0.205 92 L C 2.134 178.665 176.870 -0.564 0.000 1.086 92 L CA 1.505 56.178 54.840 -0.277 0.000 0.778 92 L CB -0.261 41.746 42.059 -0.086 0.000 0.928 92 L HN 0.111 nan 8.230 nan 0.000 0.446 93 E N -0.451 119.375 120.200 -0.623 0.000 2.118 93 E HA -0.267 4.083 4.350 0.000 0.000 0.195 93 E C 1.493 177.522 176.600 -0.951 0.000 0.992 93 E CA 1.603 57.291 56.400 -1.186 0.000 0.804 93 E CB 0.065 29.495 29.700 -0.450 0.000 0.741 93 E HN 0.526 nan 8.360 nan 0.000 0.458 94 D N 0.044 120.144 120.400 -0.501 0.000 2.092 94 D HA -0.169 4.471 4.640 0.000 0.000 0.193 94 D C 2.063 178.141 176.300 -0.369 0.000 0.994 94 D CA 1.155 54.956 54.000 -0.331 0.000 0.828 94 D CB -0.492 40.184 40.800 -0.207 0.000 0.963 94 D HN 0.099 nan 8.370 nan 0.000 0.450 95 V N 1.364 120.989 119.914 -0.482 0.000 2.255 95 V HA -0.258 3.862 4.120 0.000 0.000 0.247 95 V C 2.318 178.188 176.094 -0.374 0.000 1.051 95 V CA 2.001 63.945 62.300 -0.593 0.000 1.018 95 V CB -0.781 30.432 31.823 -1.015 0.000 0.641 95 V HN 0.220 nan 8.190 nan 0.000 0.445 96 F N -0.559 119.313 119.950 -0.129 0.000 2.325 96 F HA 0.032 4.559 4.527 0.000 0.000 0.299 96 F C 2.081 177.949 175.800 0.113 0.000 1.090 96 F CA 0.675 58.751 58.000 0.127 0.000 1.392 96 F CB -1.671 37.526 39.000 0.328 0.000 1.053 96 F HN -0.043 nan 8.300 nan 0.000 0.521 97 V N 1.375 121.334 119.914 0.075 0.000 2.261 97 V HA -0.277 3.843 4.120 0.000 0.000 0.246 97 V C 2.605 178.767 176.094 0.115 0.000 1.047 97 V CA 1.966 64.337 62.300 0.118 0.000 1.015 97 V CB -0.792 31.027 31.823 -0.006 0.000 0.642 97 V HN 0.502 nan 8.190 nan 0.000 0.446 98 L N -0.721 120.526 121.223 0.039 0.000 2.081 98 L HA -0.183 4.157 4.340 0.000 0.000 0.212 98 L C 2.127 179.088 176.870 0.150 0.000 1.080 98 L CA 2.035 56.926 54.840 0.085 0.000 0.754 98 L CB -0.449 41.621 42.059 0.018 0.000 0.893 98 L HN 0.150 nan 8.230 nan 0.000 0.433 99 L N -0.923 120.397 121.223 0.163 0.000 2.071 99 L HA -0.069 4.271 4.340 0.000 0.000 0.201 99 L C 2.346 179.431 176.870 0.359 0.000 1.076 99 L CA 1.141 56.141 54.840 0.267 0.000 0.755 99 L CB -1.369 40.770 42.059 0.134 0.000 0.915 99 L HN 0.317 nan 8.230 nan 0.000 0.445 100 N N 0.754 119.682 118.700 0.379 0.000 2.060 100 N HA -0.248 4.492 4.740 0.000 0.000 0.195 100 N C 1.662 177.302 175.510 0.216 0.000 1.028 100 N CA 1.535 54.765 53.050 0.299 0.000 0.861 100 N CB -0.200 38.443 38.487 0.260 0.000 1.029 100 N HN 0.412 nan 8.380 nan 0.000 0.428 101 E N -0.439 119.870 120.200 0.181 0.000 2.371 101 E HA 0.098 4.448 4.350 0.000 0.000 0.194 101 E C 0.731 177.380 176.600 0.081 0.000 1.012 101 E CA 0.344 56.812 56.400 0.113 0.000 0.860 101 E CB 0.156 29.921 29.700 0.108 0.000 0.811 101 E HN 0.428 nan 8.360 nan 0.000 0.502 102 N N -1.079 117.700 118.700 0.132 0.000 2.193 102 N HA -0.009 4.731 4.740 0.000 0.000 0.210 102 N C 0.792 176.375 175.510 0.122 0.000 1.215 102 N CA 0.018 53.113 53.050 0.076 0.000 0.901 102 N CB 0.385 38.903 38.487 0.051 0.000 1.060 102 N HN 0.087 nan 8.380 nan 0.000 0.508 103 Y N 2.225 122.564 120.300 0.066 0.000 2.373 103 Y HA 0.030 4.580 4.550 0.000 0.000 0.293 103 Y C 0.824 176.775 175.900 0.084 0.000 1.129 103 Y CA 0.703 58.825 58.100 0.037 0.000 1.226 103 Y CB 0.395 38.798 38.460 -0.095 0.000 1.000 103 Y HN -0.278 nan 8.280 nan 0.000 0.549 104 V N 2.046 122.078 119.914 0.197 0.000 2.432 104 V HA 0.064 4.184 4.120 0.000 0.000 0.275 104 V C 0.736 176.797 176.094 -0.055 0.000 1.043 104 V CA -0.764 61.551 62.300 0.024 0.000 0.925 104 V CB 1.326 32.985 31.823 -0.275 0.000 0.985 104 V HN 0.204 nan 8.190 nan 0.000 0.466 105 E N 3.180 123.356 120.200 -0.041 0.000 2.001 105 E HA -0.116 4.234 4.350 0.000 0.000 0.193 105 E C 0.692 177.261 176.600 -0.052 0.000 0.994 105 E CA 0.857 57.237 56.400 -0.033 0.000 0.815 105 E CB -0.119 29.583 29.700 0.004 0.000 0.770 105 E HN 0.885 nan 8.360 nan 0.000 0.453 106 D N 0.800 121.168 120.400 -0.053 0.000 2.371 106 D HA -0.016 4.624 4.640 0.000 0.000 0.256 106 D C 1.101 177.344 176.300 -0.095 0.000 1.193 106 D CA -0.009 53.958 54.000 -0.056 0.000 0.881 106 D CB 0.841 41.621 40.800 -0.033 0.000 1.143 106 D HN -0.065 nan 8.370 nan 0.000 0.473 107 R N 2.836 123.289 120.500 -0.078 0.000 2.091 107 R HA -0.141 4.199 4.340 0.000 0.000 0.238 107 R C 0.205 176.449 176.300 -0.094 0.000 1.136 107 R CA 1.423 57.471 56.100 -0.086 0.000 0.959 107 R CB 0.031 30.296 30.300 -0.059 0.000 0.856 107 R HN 0.618 nan 8.270 nan 0.000 0.437 108 D N 0.075 120.431 120.400 -0.072 0.000 2.323 108 D HA 0.017 4.657 4.640 0.000 0.000 0.239 108 D C 1.120 177.379 176.300 -0.068 0.000 1.129 108 D CA 0.416 54.380 54.000 -0.061 0.000 0.865 108 D CB 0.438 41.214 40.800 -0.040 0.000 0.913 108 D HN 0.299 nan 8.370 nan 0.000 0.517 109 A N 0.545 123.298 122.820 -0.112 0.000 2.019 109 A HA 0.094 4.414 4.320 0.000 0.000 0.219 109 A C 2.137 179.709 177.584 -0.019 0.000 1.164 109 A CA 1.696 53.675 52.037 -0.096 0.000 0.644 109 A CB -0.406 18.419 19.000 -0.292 0.000 0.805 109 A HN 0.359 nan 8.150 nan 0.000 0.449 110 G N -2.143 106.617 108.800 -0.067 0.000 2.225 110 G HA2 -0.272 3.688 3.960 0.000 0.000 0.254 110 G HA3 -0.272 3.688 3.960 0.000 0.000 0.254 110 G C 0.181 175.125 174.900 0.073 0.000 0.988 110 G CA 0.523 45.626 45.100 0.004 0.000 0.625 110 G HN 1.548 nan 8.290 nan 0.000 0.527 111 F N 0.708 120.599 119.950 -0.099 0.000 2.507 111 F HA 0.905 5.432 4.527 0.000 0.000 0.325 111 F C -0.122 175.496 175.800 -0.302 0.000 1.116 111 F CA -1.745 56.150 58.000 -0.176 0.000 0.930 111 F CB 1.364 40.293 39.000 -0.119 0.000 1.146 111 F HN 0.075 nan 8.300 nan 0.000 0.447 112 R N 3.074 123.393 120.500 -0.302 0.000 2.803 112 R HA 0.432 4.772 4.340 0.000 0.000 0.276 112 R C -1.494 174.683 176.300 -0.205 0.000 0.978 112 R CA -1.020 54.912 56.100 -0.281 0.000 0.939 112 R CB 2.166 32.410 30.300 -0.094 0.000 1.179 112 R HN 0.651 nan 8.270 nan 0.000 0.472 113 F N 1.361 121.227 119.950 -0.140 0.000 2.529 113 F HA 0.028 4.555 4.527 -0.000 0.000 0.365 113 F C 1.320 177.034 175.800 -0.143 0.000 1.102 113 F CA 0.711 58.686 58.000 -0.042 0.000 1.271 113 F CB 0.431 39.308 39.000 -0.206 0.000 1.120 113 F HN 0.308 nan 8.300 nan 0.000 0.579 114 N N 4.569 123.236 118.700 -0.055 0.000 2.776 114 N HA 0.140 4.880 4.740 0.000 0.000 0.245 114 N C -1.406 173.912 175.510 -0.319 0.000 1.121 114 N CA -0.349 52.621 53.050 -0.135 0.000 0.852 114 N CB 0.327 38.770 38.487 -0.073 0.000 1.142 114 N HN 0.487 nan 8.380 nan 0.000 0.514 115 Y N 1.046 121.221 120.300 -0.208 0.000 2.359 115 Y HA 0.100 4.650 4.550 -0.000 0.000 0.330 115 Y C 1.529 177.111 175.900 -0.529 0.000 1.143 115 Y CA -0.177 57.628 58.100 -0.491 0.000 1.318 115 Y CB 0.984 39.119 38.460 -0.542 0.000 1.234 115 Y HN 0.268 nan 8.280 nan 0.000 0.522 116 T N -1.487 112.867 114.554 -0.333 0.000 2.942 116 T HA 0.286 4.636 4.350 0.000 0.000 0.289 116 T C 0.772 175.323 174.700 -0.249 0.000 1.044 116 T CA -1.102 60.729 62.100 -0.448 0.000 1.023 116 T CB 1.740 70.485 68.868 -0.204 0.000 1.123 116 T HN 0.729 nan 8.240 nan 0.000 0.512 117 K N 0.541 120.825 120.400 -0.193 0.000 2.097 117 K HA -0.169 4.151 4.320 0.000 0.000 0.206 117 K C 1.508 178.190 176.600 0.138 0.000 1.049 117 K CA 1.557 57.946 56.287 0.170 0.000 0.933 117 K CB -0.347 32.294 32.500 0.235 0.000 0.717 117 K HN 0.575 nan 8.250 nan 0.000 0.442 118 E N 0.906 121.148 120.200 0.071 0.000 2.049 118 E HA -0.181 4.169 4.350 0.000 0.000 0.198 118 E C 1.698 178.383 176.600 0.141 0.000 1.007 118 E CA 1.681 58.130 56.400 0.082 0.000 0.809 118 E CB -0.422 29.305 29.700 0.045 0.000 0.749 118 E HN 0.416 nan 8.360 nan 0.000 0.450 119 F N -0.121 119.826 119.950 -0.004 0.000 2.075 119 F HA -0.180 4.347 4.527 -0.000 0.000 0.297 119 F C 1.901 177.763 175.800 0.103 0.000 1.113 119 F CA 1.553 59.573 58.000 0.034 0.000 1.218 119 F CB -0.361 38.566 39.000 -0.121 0.000 0.984 119 F HN 0.008 nan 8.300 nan 0.000 0.472 120 F N 0.314 120.373 119.950 0.182 0.000 2.146 120 F HA -0.211 4.316 4.527 0.000 0.000 0.298 120 F C 2.318 178.050 175.800 -0.114 0.000 1.096 120 F CA 1.110 59.083 58.000 -0.046 0.000 1.275 120 F CB -0.723 38.243 39.000 -0.057 0.000 1.008 120 F HN 0.031 nan 8.300 nan 0.000 0.480 121 N N -0.315 118.474 118.700 0.148 0.000 2.091 121 N HA -0.277 4.463 4.740 0.000 0.000 0.193 121 N C 1.395 176.948 175.510 0.071 0.000 1.021 121 N CA 1.822 54.900 53.050 0.046 0.000 0.862 121 N CB -0.428 38.103 38.487 0.072 0.000 1.018 121 N HN 0.435 nan 8.380 nan 0.000 0.429 122 W N 0.865 122.113 121.300 -0.086 0.000 2.463 122 W HA 0.164 4.824 4.660 0.000 0.000 0.316 122 W C 2.300 178.788 176.519 -0.053 0.000 1.170 122 W CA 1.928 59.223 57.345 -0.084 0.000 1.355 122 W CB -1.012 28.303 29.460 -0.242 0.000 1.159 122 W HN 0.055 nan 8.180 nan 0.000 0.487 123 A N 0.601 123.114 122.820 -0.512 0.000 1.908 123 A HA -0.161 4.159 4.320 0.000 0.000 0.218 123 A C 2.129 179.553 177.584 -0.267 0.000 1.181 123 A CA 2.052 53.631 52.037 -0.763 0.000 0.627 123 A CB -1.085 17.573 19.000 -0.570 0.000 0.818 123 A HN 0.433 nan 8.150 nan 0.000 0.445 124 L N -1.272 119.903 121.223 -0.081 0.000 2.341 124 L HA 0.017 4.357 4.340 0.000 0.000 0.214 124 L C 1.109 177.928 176.870 -0.084 0.000 1.115 124 L CA 0.661 55.496 54.840 -0.009 0.000 0.820 124 L CB -0.109 41.830 42.059 -0.200 0.000 0.944 124 L HN 0.203 nan 8.230 nan 0.000 0.452 125 K N 0.486 120.707 120.400 -0.298 0.000 2.994 125 K HA 0.144 4.464 4.320 0.000 0.000 0.231 125 K C 0.401 176.739 176.600 -0.437 0.000 1.174 125 K CA -0.138 55.770 56.287 -0.632 0.000 1.221 125 K CB 0.505 32.483 32.500 -0.870 0.000 1.166 125 K HN -0.002 nan 8.250 nan 0.000 0.453 126 S N 2.141 117.756 115.700 -0.142 0.000 2.573 126 S HA 0.122 4.592 4.470 0.000 0.000 0.277 126 S C -2.347 172.275 174.600 0.036 0.000 1.346 126 S CA -1.169 56.996 58.200 -0.058 0.000 1.034 126 S CB 0.374 63.588 63.200 0.024 0.000 0.879 126 S HN 0.083 nan 8.310 nan 0.000 0.528 127 P HA 0.149 nan 4.420 nan 0.000 0.260 127 P C 0.549 177.854 177.300 0.008 0.000 1.172 127 P CA 1.267 64.394 63.100 0.045 0.000 0.760 127 P CB 0.068 31.791 31.700 0.039 0.000 0.773 128 G N 2.374 111.146 108.800 -0.048 0.000 2.131 128 G HA2 -0.149 3.811 3.960 0.000 0.000 0.223 128 G HA3 -0.149 3.811 3.960 0.000 0.000 0.223 128 G C -0.155 174.592 174.900 -0.256 0.000 0.990 128 G CA -0.420 44.563 45.100 -0.194 0.000 0.671 128 G HN 0.653 nan 8.290 nan 0.000 0.521 129 W N 0.805 121.972 121.300 -0.222 0.000 2.368 129 W HA 0.748 5.408 4.660 -0.000 0.000 0.316 129 W C -0.237 176.129 176.519 -0.255 0.000 1.375 129 W CA -0.929 56.291 57.345 -0.209 0.000 1.261 129 W CB 0.429 29.872 29.460 -0.029 0.000 1.298 129 W HN 0.161 nan 8.180 nan 0.000 0.539 130 K N 4.448 124.609 120.400 -0.397 0.000 2.270 130 K HA 0.195 4.515 4.320 0.000 0.000 0.255 130 K C 1.138 177.643 176.600 -0.157 0.000 0.936 130 K CA -0.623 55.415 56.287 -0.414 0.000 0.809 130 K CB 1.638 33.824 32.500 -0.523 0.000 1.131 130 K HN 0.506 nan 8.250 nan 0.000 0.427 131 K N 1.399 121.802 120.400 0.006 0.000 2.442 131 K HA -0.049 4.271 4.320 0.000 0.000 0.198 131 K C -0.063 176.621 176.600 0.140 0.000 1.042 131 K CA 1.302 57.717 56.287 0.212 0.000 0.958 131 K CB 0.203 32.873 32.500 0.283 0.000 0.766 131 K HN 0.436 nan 8.250 nan 0.000 0.474 132 D N -0.105 120.368 120.400 0.121 0.000 2.363 132 D HA -0.046 4.594 4.640 0.000 0.000 0.226 132 D C 0.162 176.562 176.300 0.166 0.000 1.020 132 D CA 0.546 54.629 54.000 0.138 0.000 0.892 132 D CB 0.005 40.883 40.800 0.131 0.000 0.900 132 D HN 0.413 nan 8.370 nan 0.000 0.531 133 W N -0.007 121.148 121.300 -0.241 0.000 3.127 133 W HA 0.130 4.790 4.660 0.000 0.000 0.344 133 W C 0.362 176.705 176.519 -0.294 0.000 1.151 133 W CA -0.251 56.927 57.345 -0.278 0.000 1.765 133 W CB -0.023 29.271 29.460 -0.276 0.000 1.085 133 W HN -0.008 nan 8.180 nan 0.000 0.596 134 H N 0.715 119.890 119.070 0.175 0.000 2.482 134 H HA 0.299 4.855 4.556 -0.000 0.000 0.231 134 H C 0.136 175.463 175.328 -0.002 0.000 1.612 134 H CA -0.763 55.329 56.048 0.074 0.000 1.279 134 H CB -0.527 29.400 29.762 0.275 0.000 1.562 134 H HN -0.117 nan 8.280 nan 0.000 0.553 135 I N 1.265 121.773 120.570 -0.102 0.000 2.683 135 I HA 0.096 4.266 4.170 0.000 0.000 0.286 135 I C 1.004 177.159 176.117 0.064 0.000 1.175 135 I CA 0.520 61.804 61.300 -0.027 0.000 1.429 135 I CB 0.841 38.789 38.000 -0.087 0.000 1.371 135 I HN 0.469 nan 8.210 nan 0.000 0.569 136 G N 5.972 114.894 108.800 0.203 0.000 2.702 136 G HA2 0.547 4.507 3.960 0.000 0.000 0.295 136 G HA3 0.547 4.507 3.960 0.000 0.000 0.295 136 G C -1.056 173.923 174.900 0.131 0.000 1.446 136 G CA -0.331 44.896 45.100 0.211 0.000 0.983 136 G HN 0.353 nan 8.290 nan 0.000 0.520 137 V N 3.126 123.047 119.914 0.012 0.000 2.465 137 V HA 0.582 4.702 4.120 0.000 0.000 0.279 137 V C 0.401 176.398 176.094 -0.162 0.000 1.045 137 V CA -0.438 61.743 62.300 -0.198 0.000 0.938 137 V CB 1.080 32.638 31.823 -0.442 0.000 0.986 137 V HN 0.755 nan 8.190 nan 0.000 0.467 138 R N 2.470 122.905 120.500 -0.108 0.000 2.836 138 R HA 0.678 5.018 4.340 0.000 0.000 0.269 138 R C -1.537 174.861 176.300 0.164 0.000 1.010 138 R CA -0.968 55.128 56.100 -0.006 0.000 0.930 138 R CB 2.402 32.709 30.300 0.011 0.000 1.218 138 R HN 0.455 nan 8.270 nan 0.000 0.473 139 V N 2.793 122.807 119.914 0.167 0.000 2.455 139 V HA 0.051 4.171 4.120 0.000 0.000 0.273 139 V C 1.195 177.313 176.094 0.040 0.000 1.045 139 V CA 0.013 62.405 62.300 0.154 0.000 0.976 139 V CB 1.182 33.053 31.823 0.080 0.000 0.993 139 V HN 0.715 nan 8.190 nan 0.000 0.475 140 K N 2.754 123.154 120.400 0.000 0.000 2.020 140 K HA -0.214 4.106 4.320 0.000 0.000 0.212 140 K C 1.895 178.485 176.600 -0.018 0.000 1.050 140 K CA 2.097 58.376 56.287 -0.014 0.000 0.929 140 K CB 0.018 32.494 32.500 -0.039 0.000 0.714 140 K HN 0.713 nan 8.250 nan 0.000 0.443 141 E N -0.650 119.530 120.200 -0.033 0.000 2.106 141 E HA -0.139 4.211 4.350 0.000 0.000 0.192 141 E C 1.911 178.499 176.600 -0.020 0.000 0.984 141 E CA 1.698 58.081 56.400 -0.029 0.000 0.806 141 E CB 0.130 29.806 29.700 -0.039 0.000 0.750 141 E HN 0.511 nan 8.360 nan 0.000 0.458 142 T N -3.441 111.103 114.554 -0.018 0.000 3.000 142 T HA 0.024 4.374 4.350 0.000 0.000 0.248 142 T C 0.774 175.467 174.700 -0.012 0.000 1.034 142 T CA -0.186 61.904 62.100 -0.016 0.000 1.060 142 T CB 0.609 69.465 68.868 -0.020 0.000 0.983 142 T HN -0.116 nan 8.240 nan 0.000 0.482 143 Q N 0.074 119.872 119.800 -0.004 0.000 2.489 143 Q HA -0.144 4.196 4.340 0.000 0.000 0.259 143 Q C -0.156 175.835 176.000 -0.015 0.000 0.934 143 Q CA 0.727 56.528 55.803 -0.003 0.000 1.131 143 Q CB -1.947 26.789 28.738 -0.004 0.000 1.472 143 Q HN 0.731 nan 8.270 nan 0.000 0.560 144 K N 1.387 121.775 120.400 -0.021 0.000 2.315 144 K HA 0.235 4.555 4.320 0.000 0.000 0.291 144 K C 0.069 176.634 176.600 -0.059 0.000 1.074 144 K CA -0.311 55.948 56.287 -0.047 0.000 0.936 144 K CB 0.158 32.618 32.500 -0.066 0.000 1.049 144 K HN 0.100 nan 8.250 nan 0.000 0.471 145 L N 6.425 127.613 121.223 -0.059 0.000 2.615 145 L HA -0.041 4.299 4.340 0.000 0.000 0.271 145 L C 0.692 177.513 176.870 -0.081 0.000 1.183 145 L CA 0.533 55.339 54.840 -0.057 0.000 0.933 145 L CB 0.952 42.985 42.059 -0.045 0.000 1.199 145 L HN 0.630 nan 8.230 nan 0.000 0.487 146 V N 2.387 122.226 119.914 -0.124 0.000 3.621 146 V HA 0.703 4.823 4.120 0.000 0.000 0.263 146 V C 0.630 176.685 176.094 -0.065 0.000 1.272 146 V CA 0.576 62.790 62.300 -0.144 0.000 1.080 146 V CB -0.399 31.258 31.823 -0.277 0.000 0.816 146 V HN 0.898 nan 8.190 nan 0.000 0.451 147 A N -0.291 122.492 122.820 -0.063 0.000 2.587 147 A HA 0.856 5.176 4.320 0.000 0.000 0.293 147 A C -1.713 175.965 177.584 0.157 0.000 1.087 147 A CA -0.536 51.507 52.037 0.010 0.000 0.692 147 A CB 2.313 21.244 19.000 -0.115 0.000 1.291 147 A HN 0.654 nan 8.150 nan 0.000 0.407 148 F N 0.369 120.327 119.950 0.013 0.000 2.615 148 F HA 0.736 5.263 4.527 -0.000 0.000 0.312 148 F C -1.511 174.343 175.800 0.090 0.000 1.119 148 F CA -0.539 57.488 58.000 0.044 0.000 0.979 148 F CB 1.490 40.499 39.000 0.015 0.000 1.266 148 F HN 0.674 nan 8.300 nan 0.000 0.444 149 I N 4.084 124.270 120.570 -0.640 0.000 2.619 149 I HA 0.615 4.785 4.170 0.000 0.000 0.292 149 I C -1.456 174.246 176.117 -0.692 0.000 1.100 149 I CA -0.154 60.881 61.300 -0.440 0.000 1.043 149 I CB 1.978 39.856 38.000 -0.203 0.000 1.239 149 I HN 0.561 nan 8.210 nan 0.000 0.420 150 S N 5.008 120.554 115.700 -0.257 0.000 2.542 150 S HA 0.947 5.417 4.470 0.000 0.000 0.293 150 S C -1.182 173.478 174.600 0.101 0.000 1.089 150 S CA -0.293 57.915 58.200 0.013 0.000 0.961 150 S CB 1.736 65.196 63.200 0.433 0.000 1.062 150 S HN 0.822 nan 8.310 nan 0.000 0.483 151 A N 3.681 126.618 122.820 0.194 0.000 2.459 151 A HA 0.691 5.011 4.320 0.000 0.000 0.296 151 A C -0.897 176.901 177.584 0.357 0.000 1.039 151 A CA -0.707 51.480 52.037 0.249 0.000 0.698 151 A CB 1.042 20.164 19.000 0.203 0.000 1.261 151 A HN 0.962 nan 8.150 nan 0.000 0.405 152 I N 0.572 121.294 120.570 0.252 0.000 2.509 152 I HA 0.712 4.882 4.170 0.000 0.000 0.293 152 I C -2.958 173.220 176.117 0.103 0.000 1.020 152 I CA -2.905 58.484 61.300 0.150 0.000 1.088 152 I CB 1.745 39.815 38.000 0.117 0.000 1.267 152 I HN 0.309 nan 8.210 nan 0.000 0.430 153 P HA 0.286 nan 4.420 nan 0.000 0.276 153 P C -0.335 176.964 177.300 -0.001 0.000 1.230 153 P CA 0.161 63.251 63.100 -0.017 0.000 0.776 153 P CB 1.668 33.263 31.700 -0.175 0.000 0.888 154 V N 0.127 120.058 119.914 0.028 0.000 3.084 154 V HA 0.899 5.019 4.120 0.000 0.000 0.311 154 V C -0.416 175.682 176.094 0.007 0.000 1.311 154 V CA -0.926 61.363 62.300 -0.017 0.000 1.062 154 V CB 1.500 33.300 31.823 -0.038 0.000 1.113 154 V HN 0.652 nan 8.190 nan 0.000 0.468 155 T N -0.256 114.284 114.554 -0.023 0.000 2.881 155 T HA 0.723 5.073 4.350 0.000 0.000 0.291 155 T C -0.779 173.909 174.700 -0.020 0.000 0.990 155 T CA -0.494 61.606 62.100 0.001 0.000 0.976 155 T CB 0.878 69.754 68.868 0.014 0.000 0.970 155 T HN 0.783 nan 8.240 nan 0.000 0.438 156 L N 2.668 123.878 121.223 -0.023 0.000 2.379 156 L HA 0.748 5.088 4.340 0.000 0.000 0.269 156 L C 0.936 177.772 176.870 -0.057 0.000 1.084 156 L CA -1.019 53.798 54.840 -0.037 0.000 0.802 156 L CB 1.219 43.246 42.059 -0.054 0.000 1.175 156 L HN 0.971 nan 8.230 nan 0.000 0.448 157 G N 1.555 110.336 108.800 -0.031 0.000 2.468 157 G HA2 0.520 4.480 3.960 0.000 0.000 0.315 157 G HA3 0.520 4.480 3.960 0.000 0.000 0.315 157 G C -0.841 174.040 174.900 -0.032 0.000 1.203 157 G CA -0.245 44.838 45.100 -0.029 0.000 0.962 157 G HN 0.286 nan 8.290 nan 0.000 0.476 158 V N 4.276 124.158 119.914 -0.054 0.000 2.333 158 V HA 0.315 4.435 4.120 0.000 0.000 0.274 158 V C 1.192 177.308 176.094 0.035 0.000 1.028 158 V CA -0.655 61.638 62.300 -0.012 0.000 0.851 158 V CB 0.598 32.407 31.823 -0.023 0.000 1.000 158 V HN 1.032 nan 8.190 nan 0.000 0.456 159 R N 3.454 123.973 120.500 0.033 0.000 4.052 159 R HA -0.300 4.040 4.340 0.000 0.000 0.436 159 R C 1.239 177.550 176.300 0.018 0.000 0.976 159 R CA 1.548 57.667 56.100 0.031 0.000 1.625 159 R CB -1.442 28.884 30.300 0.043 0.000 2.267 159 R HN 1.110 nan 8.270 nan 0.000 0.525 160 G N -0.497 108.312 108.800 0.015 0.000 4.018 160 G HA2 -0.065 3.895 3.960 0.000 0.000 0.195 160 G HA3 -0.065 3.895 3.960 0.000 0.000 0.195 160 G C -0.518 174.387 174.900 0.008 0.000 1.019 160 G CA -0.248 44.855 45.100 0.005 0.000 0.871 160 G HN 0.082 nan 8.290 nan 0.000 0.339 161 K N 1.759 122.175 120.400 0.025 0.000 2.447 161 K HA 0.228 4.548 4.320 0.000 0.000 0.281 161 K C 0.232 176.828 176.600 -0.006 0.000 1.031 161 K CA 0.040 56.344 56.287 0.029 0.000 1.019 161 K CB 0.965 33.514 32.500 0.081 0.000 0.918 161 K HN 0.401 nan 8.250 nan 0.000 0.476 162 Q N 2.905 122.703 119.800 -0.004 0.000 2.281 162 Q HA 0.105 4.445 4.340 0.000 0.000 0.267 162 Q C -1.053 174.922 176.000 -0.042 0.000 1.053 162 Q CA -0.311 55.481 55.803 -0.017 0.000 0.905 162 Q CB 0.617 29.359 28.738 0.006 0.000 1.195 162 Q HN 0.310 nan 8.270 nan 0.000 0.398 163 V N 7.876 127.728 119.914 -0.104 0.000 2.266 163 V HA 0.297 4.417 4.120 0.000 0.000 0.271 163 V C -2.173 173.900 176.094 -0.035 0.000 1.032 163 V CA -1.750 60.444 62.300 -0.177 0.000 0.806 163 V CB 0.780 32.284 31.823 -0.531 0.000 1.052 163 V HN 0.809 nan 8.190 nan 0.000 0.449 164 P HA 0.116 nan 4.420 nan 0.000 0.259 164 P C 0.091 177.519 177.300 0.213 0.000 1.211 164 P CA 0.817 63.991 63.100 0.122 0.000 0.810 164 P CB 0.742 32.521 31.700 0.131 0.000 0.815 165 S N 3.094 118.895 115.700 0.170 0.000 3.132 165 S HA 0.750 5.220 4.470 0.000 0.000 0.322 165 S C -0.642 174.079 174.600 0.201 0.000 1.124 165 S CA -0.750 57.585 58.200 0.226 0.000 0.906 165 S CB 1.618 64.940 63.200 0.204 0.000 1.349 165 S HN 0.304 nan 8.310 nan 0.000 0.686 166 V N 0.389 120.433 119.914 0.216 0.000 2.891 166 V HA 0.520 4.640 4.120 0.000 0.000 0.304 166 V C -1.784 174.424 176.094 0.191 0.000 1.171 166 V CA -0.524 61.908 62.300 0.221 0.000 0.943 166 V CB 1.902 33.922 31.823 0.328 0.000 1.037 166 V HN 0.986 nan 8.190 nan 0.000 0.427 167 E N 4.729 125.026 120.200 0.163 0.000 2.277 167 E HA 0.593 4.943 4.350 0.000 0.000 0.274 167 E C -1.339 175.338 176.600 0.129 0.000 1.022 167 E CA -0.522 55.967 56.400 0.148 0.000 0.853 167 E CB 2.163 31.932 29.700 0.114 0.000 1.086 167 E HN 0.513 nan 8.360 nan 0.000 0.397 168 I N 2.785 123.427 120.570 0.119 0.000 2.499 168 I HA 0.296 4.466 4.170 0.000 0.000 0.288 168 I C -0.158 175.988 176.117 0.048 0.000 1.048 168 I CA -0.294 61.047 61.300 0.067 0.000 1.062 168 I CB 1.412 39.420 38.000 0.014 0.000 1.238 168 I HN 0.406 nan 8.210 nan 0.000 0.426 169 N N 3.600 122.276 118.700 -0.040 0.000 3.204 169 N HA 0.452 5.192 4.740 0.000 0.000 0.285 169 N C -0.711 174.791 175.510 -0.014 0.000 1.536 169 N CA -0.438 52.526 53.050 -0.143 0.000 0.832 169 N CB 1.694 39.891 38.487 -0.484 0.000 1.645 169 N HN 0.356 nan 8.380 nan 0.000 0.586 170 F N -0.904 119.240 119.950 0.323 0.000 3.018 170 F HA -0.185 4.342 4.527 -0.000 0.000 0.287 170 F C 0.381 176.436 175.800 0.424 0.000 0.813 170 F CA -0.026 58.205 58.000 0.384 0.000 1.209 170 F CB -1.608 37.647 39.000 0.424 0.000 1.321 170 F HN 0.331 nan 8.300 nan 0.000 0.477 171 L N 1.363 122.845 121.223 0.431 0.000 2.433 171 L HA 0.327 4.667 4.340 0.000 0.000 0.275 171 L C 0.152 177.208 176.870 0.309 0.000 1.128 171 L CA 0.391 55.403 54.840 0.286 0.000 0.875 171 L CB 0.903 43.063 42.059 0.169 0.000 1.171 171 L HN 0.538 nan 8.230 nan 0.000 0.463 172 C N 5.946 125.420 119.300 0.289 0.000 2.789 172 C HA 0.443 4.903 4.460 0.000 0.000 0.367 172 C C -0.436 174.649 174.990 0.158 0.000 1.062 172 C CA -0.582 58.581 59.018 0.242 0.000 1.297 172 C CB 0.693 28.666 27.740 0.388 0.000 1.794 172 C HN 0.586 nan 8.230 nan 0.000 0.474 173 V N 5.806 125.770 119.914 0.083 0.000 2.465 173 V HA 0.288 4.408 4.120 0.000 0.000 0.279 173 V C 0.548 176.682 176.094 0.067 0.000 1.045 173 V CA -0.151 62.177 62.300 0.047 0.000 0.938 173 V CB 1.100 32.922 31.823 -0.002 0.000 0.986 173 V HN 0.932 nan 8.190 nan 0.000 0.467 174 H N 3.989 123.049 119.070 -0.016 0.000 3.064 174 H HA 0.005 4.561 4.556 0.000 0.000 0.329 174 H C 1.295 176.624 175.328 0.001 0.000 1.020 174 H CA 0.849 56.897 56.048 -0.001 0.000 1.402 174 H CB 0.610 30.363 29.762 -0.014 0.000 1.379 174 H HN 0.607 nan 8.280 nan 0.000 0.594 175 K N 3.083 123.233 120.400 -0.418 0.000 2.063 175 K HA -0.271 4.049 4.320 0.000 0.000 0.208 175 K C 1.969 178.490 176.600 -0.131 0.000 1.048 175 K CA 1.786 57.926 56.287 -0.245 0.000 0.928 175 K CB -0.006 32.337 32.500 -0.261 0.000 0.713 175 K HN 0.654 nan 8.250 nan 0.000 0.442 176 Q N 1.216 120.948 119.800 -0.113 0.000 2.234 176 Q HA -0.113 4.227 4.340 0.000 0.000 0.206 176 Q C 1.041 177.109 176.000 0.114 0.000 0.980 176 Q CA 1.165 57.029 55.803 0.102 0.000 0.869 176 Q CB 0.107 29.031 28.738 0.311 0.000 0.912 176 Q HN 0.420 nan 8.270 nan 0.000 0.436 177 L N -1.650 119.650 121.223 0.128 0.000 2.960 177 L HA 0.552 4.892 4.340 0.000 0.000 0.274 177 L C -0.646 176.247 176.870 0.038 0.000 1.327 177 L CA -0.694 54.199 54.840 0.088 0.000 0.860 177 L CB 0.549 42.684 42.059 0.127 0.000 1.239 177 L HN -0.099 nan 8.230 nan 0.000 0.551 178 R N -0.240 120.271 120.500 0.018 0.000 2.517 178 R HA 0.429 4.769 4.340 0.000 0.000 0.250 178 R C 0.725 177.026 176.300 0.002 0.000 1.213 178 R CA -0.094 56.007 56.100 0.002 0.000 1.146 178 R CB 0.659 30.956 30.300 -0.006 0.000 1.279 178 R HN 0.501 nan 8.270 nan 0.000 0.597 179 S N 0.057 115.757 115.700 -0.000 0.000 3.491 179 S HA -0.172 4.298 4.470 0.000 0.000 0.371 179 S C 0.274 174.872 174.600 -0.003 0.000 0.980 179 S CA 1.098 59.299 58.200 0.001 0.000 1.204 179 S CB -0.936 62.268 63.200 0.006 0.000 0.915 179 S HN 0.575 nan 8.310 nan 0.000 0.482 180 K N -0.103 120.289 120.400 -0.013 0.000 2.483 180 K HA 0.173 4.493 4.320 0.000 0.000 0.206 180 K C 0.119 176.698 176.600 -0.036 0.000 1.086 180 K CA -0.612 55.667 56.287 -0.014 0.000 1.052 180 K CB 0.415 32.915 32.500 0.000 0.000 0.904 180 K HN 0.145 nan 8.250 nan 0.000 0.557 181 R N 0.601 121.068 120.500 -0.055 0.000 3.336 181 R HA -0.185 4.155 4.340 0.000 0.000 0.260 181 R C 0.525 176.743 176.300 -0.137 0.000 1.032 181 R CA 0.284 56.325 56.100 -0.098 0.000 0.693 181 R CB -2.254 28.000 30.300 -0.077 0.000 1.134 181 R HN 0.266 nan 8.270 nan 0.000 0.433 182 L N -0.991 120.149 121.223 -0.139 0.000 2.470 182 L HA 0.093 4.433 4.340 0.000 0.000 0.219 182 L C 1.937 178.685 176.870 -0.203 0.000 1.071 182 L CA 1.480 56.220 54.840 -0.167 0.000 0.850 182 L CB 0.139 42.096 42.059 -0.170 0.000 1.040 182 L HN 0.208 nan 8.230 nan 0.000 0.475 183 T N 0.830 115.266 114.554 -0.198 0.000 2.708 183 T HA -0.095 4.255 4.350 0.000 0.000 0.266 183 T C -0.658 173.768 174.700 -0.457 0.000 1.037 183 T CA 1.872 63.840 62.100 -0.221 0.000 1.146 183 T CB -0.972 67.825 68.868 -0.119 0.000 0.865 183 T HN 0.225 nan 8.240 nan 0.000 0.435 184 P HA -0.055 nan 4.420 nan 0.000 0.215 184 P C 1.647 178.293 177.300 -1.089 0.000 1.157 184 P CA 0.670 62.795 63.100 -1.625 0.000 0.874 184 P CB -0.212 30.715 31.700 -1.288 0.000 0.790 185 V N -1.113 118.488 119.914 -0.521 0.000 2.626 185 V HA -0.186 3.934 4.120 0.000 0.000 0.252 185 V C 2.365 178.418 176.094 -0.069 0.000 1.067 185 V CA 1.402 63.570 62.300 -0.220 0.000 1.081 185 V CB -1.012 30.753 31.823 -0.097 0.000 0.686 185 V HN 0.078 nan 8.190 nan 0.000 0.468 186 L N -1.195 119.956 121.223 -0.121 0.000 2.072 186 L HA -0.144 4.196 4.340 0.000 0.000 0.205 186 L C 2.278 179.064 176.870 -0.140 0.000 1.079 186 L CA 1.353 56.187 54.840 -0.009 0.000 0.752 186 L CB -0.326 41.702 42.059 -0.052 0.000 0.906 186 L HN 0.239 nan 8.230 nan 0.000 0.436 187 I N -0.045 120.373 120.570 -0.254 0.000 2.142 187 I HA -0.326 3.844 4.170 0.000 0.000 0.240 187 I C 2.450 178.421 176.117 -0.244 0.000 1.078 187 I CA 1.569 62.714 61.300 -0.257 0.000 1.343 187 I CB -0.359 37.495 38.000 -0.244 0.000 1.046 187 I HN 0.077 nan 8.210 nan 0.000 0.405 188 K N -0.093 120.203 120.400 -0.173 0.000 2.077 188 K HA -0.320 4.000 4.320 0.000 0.000 0.213 188 K C 2.132 178.586 176.600 -0.243 0.000 1.051 188 K CA 2.153 58.360 56.287 -0.134 0.000 0.929 188 K CB -0.266 32.195 32.500 -0.066 0.000 0.715 188 K HN 0.245 nan 8.250 nan 0.000 0.451 189 E N 1.110 121.127 120.200 -0.305 0.000 2.072 189 E HA -0.148 4.202 4.350 0.000 0.000 0.191 189 E C 1.772 178.059 176.600 -0.522 0.000 0.985 189 E CA 1.068 57.164 56.400 -0.506 0.000 0.801 189 E CB -0.142 29.013 29.700 -0.908 0.000 0.750 189 E HN 0.321 nan 8.360 nan 0.000 0.452 190 I N -0.119 120.172 120.570 -0.466 0.000 2.353 190 I HA -0.216 3.954 4.170 0.000 0.000 0.248 190 I C 1.793 177.578 176.117 -0.553 0.000 1.119 190 I CA 1.401 62.383 61.300 -0.529 0.000 1.417 190 I CB -0.203 37.526 38.000 -0.452 0.000 1.078 190 I HN 0.151 nan 8.210 nan 0.000 0.421 191 T N 0.729 115.010 114.554 -0.454 0.000 2.635 191 T HA -0.305 4.045 4.350 0.000 0.000 0.267 191 T C 2.030 176.487 174.700 -0.405 0.000 1.040 191 T CA 1.767 63.620 62.100 -0.412 0.000 1.156 191 T CB -0.445 68.231 68.868 -0.320 0.000 0.863 191 T HN 0.355 nan 8.240 nan 0.000 0.430 192 R N 0.964 121.243 120.500 -0.367 0.000 2.091 192 R HA -0.081 4.259 4.340 0.000 0.000 0.238 192 R C 2.523 178.603 176.300 -0.366 0.000 1.136 192 R CA 1.378 57.279 56.100 -0.331 0.000 0.959 192 R CB -0.099 30.020 30.300 -0.301 0.000 0.856 192 R HN 0.368 nan 8.270 nan 0.000 0.437 193 R N -0.343 119.868 120.500 -0.482 0.000 2.153 193 R HA -0.009 4.331 4.340 0.000 0.000 0.218 193 R C 2.199 178.111 176.300 -0.647 0.000 1.072 193 R CA 0.839 56.618 56.100 -0.536 0.000 0.990 193 R CB 0.088 29.984 30.300 -0.673 0.000 0.889 193 R HN 0.119 nan 8.270 nan 0.000 0.452 194 V N 1.473 120.931 119.914 -0.759 0.000 2.273 194 V HA -0.190 3.930 4.120 0.000 0.000 0.242 194 V C 1.518 177.477 176.094 -0.225 0.000 1.035 194 V CA 1.794 63.695 62.300 -0.664 0.000 1.013 194 V CB -0.590 30.875 31.823 -0.597 0.000 0.652 194 V HN 0.367 nan 8.190 nan 0.000 0.452 195 N N 0.146 118.620 118.700 -0.377 0.000 2.192 195 N HA -0.216 4.524 4.740 0.000 0.000 0.188 195 N C 1.812 177.251 175.510 -0.119 0.000 1.013 195 N CA 0.842 53.580 53.050 -0.521 0.000 0.863 195 N CB -0.166 37.765 38.487 -0.927 0.000 0.990 195 N HN 0.262 nan 8.380 nan 0.000 0.430 196 K N 0.622 120.966 120.400 -0.094 0.000 2.442 196 K HA -0.056 4.264 4.320 0.000 0.000 0.199 196 K C -0.159 176.508 176.600 0.113 0.000 1.044 196 K CA 0.662 56.957 56.287 0.013 0.000 0.941 196 K CB -0.106 32.369 32.500 -0.042 0.000 0.759 196 K HN 0.297 nan 8.250 nan 0.000 0.472 197 C N 1.120 120.527 119.300 0.179 0.000 2.751 197 C HA 0.207 4.667 4.460 0.000 0.000 0.248 197 C C 0.046 175.197 174.990 0.269 0.000 1.710 197 C CA -0.803 58.349 59.018 0.223 0.000 1.676 197 C CB -0.467 27.439 27.740 0.277 0.000 3.106 197 C HN 0.453 nan 8.230 nan 0.000 0.502 198 D N 0.413 121.039 120.400 0.377 0.000 2.758 198 D HA -0.186 4.454 4.640 0.000 0.000 0.191 198 D C 0.119 176.760 176.300 0.567 0.000 1.036 198 D CA 1.346 55.609 54.000 0.438 0.000 1.030 198 D CB -0.860 40.051 40.800 0.184 0.000 1.109 198 D HN 0.540 nan 8.370 nan 0.000 0.430 199 I N 0.184 121.036 120.570 0.469 0.000 2.441 199 I HA 0.014 4.184 4.170 0.000 0.000 0.287 199 I C 1.158 177.507 176.117 0.388 0.000 1.049 199 I CA 0.091 61.637 61.300 0.410 0.000 1.381 199 I CB 0.700 38.897 38.000 0.327 0.000 1.409 199 I HN 0.079 nan 8.210 nan 0.000 0.523 200 W N 5.500 126.737 121.300 -0.105 0.000 2.870 200 W HA 0.221 4.881 4.660 -0.000 0.000 0.358 200 W C 0.166 176.325 176.519 -0.600 0.000 1.043 200 W CA -0.091 57.018 57.345 -0.394 0.000 1.692 200 W CB 0.492 29.625 29.460 -0.545 0.000 1.100 200 W HN 0.567 nan 8.180 nan 0.000 0.557 201 H N -0.667 118.595 119.070 0.320 0.000 2.977 201 H HA 0.667 5.223 4.556 0.000 0.000 0.350 201 H C -0.858 174.661 175.328 0.319 0.000 1.238 201 H CA -0.632 55.603 56.048 0.312 0.000 1.124 201 H CB 1.764 31.659 29.762 0.223 0.000 1.866 201 H HN -0.234 nan 8.280 nan 0.000 0.550 202 A N 1.154 124.280 122.820 0.509 0.000 2.594 202 A HA 0.521 4.841 4.320 0.000 0.000 0.295 202 A C -1.857 175.972 177.584 0.407 0.000 1.071 202 A CA -0.601 51.672 52.037 0.392 0.000 0.685 202 A CB 2.233 21.416 19.000 0.305 0.000 1.285 202 A HN 0.409 nan 8.150 nan 0.000 0.405 203 L N 2.038 123.461 121.223 0.334 0.000 2.313 203 L HA 0.847 5.187 4.340 0.000 0.000 0.283 203 L C -1.303 175.806 176.870 0.398 0.000 1.013 203 L CA -0.295 54.740 54.840 0.325 0.000 0.816 203 L CB 1.277 43.472 42.059 0.227 0.000 1.236 203 L HN 0.815 nan 8.230 nan 0.000 0.419 204 Y N 1.300 121.717 120.300 0.196 0.000 2.534 204 Y HA 0.882 5.432 4.550 0.000 0.000 0.345 204 Y C -0.808 175.186 175.900 0.157 0.000 1.031 204 Y CA -1.074 57.129 58.100 0.171 0.000 1.022 204 Y CB 1.118 39.681 38.460 0.171 0.000 1.292 204 Y HN 0.616 nan 8.280 nan 0.000 0.459 205 T N 0.114 114.737 114.554 0.117 0.000 2.887 205 T HA 0.987 5.337 4.350 0.000 0.000 0.288 205 T C -0.692 174.058 174.700 0.084 0.000 1.021 205 T CA -0.409 61.611 62.100 -0.133 0.000 1.000 205 T CB 1.756 70.436 68.868 -0.313 0.000 1.034 205 T HN 1.577 nan 8.240 nan 0.000 0.467 206 A N 0.597 123.444 122.820 0.044 0.000 2.574 206 A HA 0.807 5.127 4.320 0.000 0.000 0.297 206 A C 0.961 178.641 177.584 0.160 0.000 1.062 206 A CA -0.428 51.729 52.037 0.200 0.000 0.686 206 A CB 1.032 20.251 19.000 0.365 0.000 1.285 206 A HN 1.152 nan 8.150 nan 0.000 0.403 207 G N 0.750 109.679 108.800 0.214 0.000 2.422 207 G HA2 0.176 4.136 3.960 0.000 0.000 0.218 207 G HA3 0.176 4.136 3.960 0.000 0.000 0.218 207 G C 0.769 175.800 174.900 0.218 0.000 1.140 207 G CA 1.348 46.594 45.100 0.244 0.000 0.775 207 G HN 1.163 nan 8.290 nan 0.000 0.545 208 I N -1.177 119.522 120.570 0.216 0.000 2.612 208 I HA 0.531 4.701 4.170 0.000 0.000 0.295 208 I C -0.300 175.970 176.117 0.255 0.000 1.011 208 I CA -1.145 60.280 61.300 0.208 0.000 1.326 208 I CB 1.656 39.774 38.000 0.197 0.000 1.427 208 I HN -0.263 nan 8.210 nan 0.000 0.537 209 V N 6.103 126.156 119.914 0.231 0.000 2.432 209 V HA 0.397 4.517 4.120 0.000 0.000 0.271 209 V C 0.322 176.571 176.094 0.259 0.000 1.046 209 V CA -0.156 62.316 62.300 0.287 0.000 0.945 209 V CB 0.515 32.469 31.823 0.218 0.000 0.992 209 V HN 0.539 nan 8.190 nan 0.000 0.471 210 L N 5.968 127.264 121.223 0.120 0.000 2.283 210 L HA 0.588 4.928 4.340 0.000 0.000 0.259 210 L C -2.548 174.088 176.870 -0.390 0.000 1.027 210 L CA -2.403 52.269 54.840 -0.281 0.000 0.828 210 L CB 2.380 43.957 42.059 -0.802 0.000 1.380 210 L HN 0.340 nan 8.230 nan 0.000 0.425 211 P HA 0.121 nan 4.420 nan 0.000 0.262 211 P C -0.388 176.474 177.300 -0.729 0.000 1.199 211 P CA 0.492 63.065 63.100 -0.878 0.000 0.763 211 P CB 0.639 32.036 31.700 -0.505 0.000 0.790 212 A N 4.177 126.569 122.820 -0.714 0.000 4.307 212 A HA -0.040 4.280 4.320 0.000 0.000 0.183 212 A C -2.255 175.361 177.584 0.053 0.000 1.222 212 A CA -0.670 51.201 52.037 -0.277 0.000 0.957 212 A CB -2.263 16.640 19.000 -0.163 0.000 0.929 212 A HN 0.398 nan 8.150 nan 0.000 0.572 213 P HA 0.305 nan 4.420 nan 0.000 0.268 213 P C 1.110 178.410 177.300 -0.000 0.000 1.282 213 P CA 0.415 63.548 63.100 0.054 0.000 0.880 213 P CB 0.852 32.620 31.700 0.114 0.000 0.971 214 V N 1.961 121.866 119.914 -0.015 0.000 2.719 214 V HA -0.034 4.086 4.120 0.000 0.000 0.252 214 V C 1.327 177.423 176.094 0.003 0.000 1.065 214 V CA 1.534 63.838 62.300 0.008 0.000 1.086 214 V CB -0.327 31.514 31.823 0.030 0.000 0.700 214 V HN 0.613 nan 8.190 nan 0.000 0.467 215 S N -1.911 113.799 115.700 0.015 0.000 2.565 215 S HA 0.528 4.998 4.470 0.000 0.000 0.269 215 S C -0.857 173.818 174.600 0.124 0.000 1.153 215 S CA -0.405 57.817 58.200 0.037 0.000 0.835 215 S CB 2.256 65.422 63.200 -0.057 0.000 1.122 215 S HN 0.227 nan 8.310 nan 0.000 0.462 216 T N 2.353 116.975 114.554 0.114 0.000 2.824 216 T HA 0.645 4.995 4.350 0.000 0.000 0.282 216 T C -0.892 173.914 174.700 0.178 0.000 0.993 216 T CA -0.318 61.870 62.100 0.146 0.000 0.967 216 T CB 0.729 69.659 68.868 0.103 0.000 0.960 216 T HN 0.672 nan 8.240 nan 0.000 0.441 217 C N 2.300 121.723 119.300 0.204 0.000 2.779 217 C HA 0.797 5.257 4.460 0.000 0.000 0.314 217 C C 0.141 175.108 174.990 -0.038 0.000 1.231 217 C CA -0.925 58.157 59.018 0.106 0.000 1.652 217 C CB 1.946 29.799 27.740 0.188 0.000 2.198 217 C HN 0.938 nan 8.230 nan 0.000 0.483 218 R N 0.379 120.766 120.500 -0.189 0.000 2.803 218 R HA 0.589 4.929 4.340 0.000 0.000 0.276 218 R C -1.703 174.352 176.300 -0.408 0.000 0.978 218 R CA -0.383 55.455 56.100 -0.437 0.000 0.939 218 R CB 1.095 31.108 30.300 -0.479 0.000 1.179 218 R HN 0.768 nan 8.270 nan 0.000 0.472 219 Y N 0.628 120.785 120.300 -0.238 0.000 2.307 219 Y HA 0.307 4.857 4.550 -0.000 0.000 0.324 219 Y C 0.757 176.447 175.900 -0.351 0.000 1.238 219 Y CA 0.083 58.066 58.100 -0.195 0.000 1.280 219 Y CB 1.912 40.321 38.460 -0.087 0.000 1.248 219 Y HN 0.622 nan 8.280 nan 0.000 0.508 220 T N -1.637 112.793 114.554 -0.208 0.000 2.865 220 T HA 0.557 4.907 4.350 0.000 0.000 0.294 220 T C -1.445 172.973 174.700 -0.470 0.000 1.119 220 T CA -1.088 60.803 62.100 -0.348 0.000 1.007 220 T CB 1.845 70.700 68.868 -0.023 0.000 1.225 220 T HN 0.589 nan 8.240 nan 0.000 0.515 221 H N 0.409 119.541 119.070 0.103 0.000 3.018 221 H HA 0.448 5.004 4.556 0.000 0.000 0.334 221 H C -0.705 174.491 175.328 -0.220 0.000 0.983 221 H CA -0.761 55.256 56.048 -0.052 0.000 1.363 221 H CB 1.503 31.198 29.762 -0.112 0.000 1.668 221 H HN 0.406 nan 8.280 nan 0.000 0.513 222 R N 3.640 123.876 120.500 -0.439 0.000 2.216 222 R HA 0.255 4.595 4.340 0.000 0.000 0.332 222 R C -2.754 173.358 176.300 -0.313 0.000 1.056 222 R CA -1.875 53.838 56.100 -0.645 0.000 0.901 222 R CB 0.469 30.016 30.300 -1.255 0.000 1.039 222 R HN 0.347 nan 8.270 nan 0.000 0.456 223 P HA 0.070 nan 4.420 nan 0.000 0.271 223 P C 0.268 177.464 177.300 -0.174 0.000 1.233 223 P CA 0.150 63.178 63.100 -0.120 0.000 0.764 223 P CB 0.553 32.284 31.700 0.051 0.000 0.825 224 L N 1.742 122.843 121.223 -0.203 0.000 2.463 224 L HA 0.213 4.553 4.340 0.000 0.000 0.219 224 L C 0.882 177.655 176.870 -0.162 0.000 1.088 224 L CA 0.682 55.384 54.840 -0.230 0.000 0.849 224 L CB -0.065 41.823 42.059 -0.284 0.000 1.012 224 L HN 0.366 nan 8.230 nan 0.000 0.468 225 N N -0.855 117.767 118.700 -0.131 0.000 2.685 225 N HA 0.005 4.745 4.740 0.000 0.000 0.252 225 N C -0.067 175.417 175.510 -0.042 0.000 1.261 225 N CA -0.566 52.431 53.050 -0.087 0.000 0.768 225 N CB 0.479 38.879 38.487 -0.145 0.000 1.304 225 N HN 0.139 nan 8.380 nan 0.000 0.536 226 W N 3.930 125.157 121.300 -0.121 0.000 2.353 226 W HA -0.104 4.556 4.660 0.000 0.000 0.319 226 W C 2.028 178.529 176.519 -0.028 0.000 1.207 226 W CA 1.928 59.221 57.345 -0.086 0.000 1.291 226 W CB 0.122 29.526 29.460 -0.094 0.000 1.159 226 W HN 0.486 nan 8.180 nan 0.000 0.478 227 K N 0.967 121.506 120.400 0.232 0.000 2.107 227 K HA -0.295 4.025 4.320 0.000 0.000 0.211 227 K C 2.075 178.627 176.600 -0.080 0.000 1.049 227 K CA 2.394 58.768 56.287 0.145 0.000 0.927 227 K CB -0.572 32.049 32.500 0.202 0.000 0.714 227 K HN 0.164 nan 8.250 nan 0.000 0.452 228 K N -0.129 120.155 120.400 -0.193 0.000 2.025 228 K HA -0.064 4.256 4.320 0.000 0.000 0.207 228 K C 2.014 178.345 176.600 -0.448 0.000 1.049 228 K CA 1.399 57.406 56.287 -0.467 0.000 0.933 228 K CB -0.109 32.025 32.500 -0.609 0.000 0.714 228 K HN 0.131 nan 8.250 nan 0.000 0.438 229 L N -0.061 120.927 121.223 -0.391 0.000 2.083 229 L HA -0.188 4.152 4.340 0.000 0.000 0.209 229 L C 2.469 179.135 176.870 -0.340 0.000 1.083 229 L CA 1.409 56.048 54.840 -0.335 0.000 0.752 229 L CB -0.599 41.258 42.059 -0.336 0.000 0.899 229 L HN 0.279 nan 8.230 nan 0.000 0.433 230 Y N 0.811 120.686 120.300 -0.707 0.000 2.200 230 Y HA -0.189 4.361 4.550 0.000 0.000 0.290 230 Y C 2.552 178.245 175.900 -0.344 0.000 1.137 230 Y CA 1.283 58.960 58.100 -0.705 0.000 1.163 230 Y CB 0.164 37.831 38.460 -1.322 0.000 0.988 230 Y HN 0.083 nan 8.280 nan 0.000 0.518 231 E N -0.269 119.695 120.200 -0.394 0.000 2.409 231 E HA -0.089 4.261 4.350 0.000 0.000 0.198 231 E C 1.661 178.167 176.600 -0.157 0.000 1.024 231 E CA 0.769 57.017 56.400 -0.252 0.000 0.861 231 E CB 0.206 29.957 29.700 0.085 0.000 0.788 231 E HN 0.400 nan 8.360 nan 0.000 0.521 232 V N 0.629 120.433 119.914 -0.183 0.000 3.528 232 V HA -0.020 4.100 4.120 0.000 0.000 0.294 232 V C -0.311 175.707 176.094 -0.128 0.000 1.404 232 V CA 0.076 62.333 62.300 -0.071 0.000 1.065 232 V CB -0.016 31.802 31.823 -0.008 0.000 0.904 232 V HN 0.065 nan 8.190 nan 0.000 0.435 233 D N -0.502 119.753 120.400 -0.241 0.000 2.775 233 D HA -0.207 4.433 4.640 0.000 0.000 0.235 233 D C 0.316 176.385 176.300 -0.385 0.000 1.120 233 D CA 0.745 54.568 54.000 -0.294 0.000 0.708 233 D CB -1.477 39.152 40.800 -0.285 0.000 1.084 233 D HN 0.476 nan 8.370 nan 0.000 0.434 234 F N -0.370 119.429 119.950 -0.252 0.000 2.678 234 F HA 0.155 4.682 4.527 0.000 0.000 0.305 234 F C 1.439 177.109 175.800 -0.217 0.000 1.090 234 F CA 0.479 58.322 58.000 -0.262 0.000 1.272 234 F CB 1.197 39.999 39.000 -0.331 0.000 1.060 234 F HN -0.069 nan 8.300 nan 0.000 0.576 235 T N -0.761 113.753 114.554 -0.067 0.000 2.956 235 T HA 0.623 4.973 4.350 0.000 0.000 0.312 235 T C -0.015 174.718 174.700 0.054 0.000 1.151 235 T CA -0.520 61.566 62.100 -0.023 0.000 1.024 235 T CB 1.091 69.923 68.868 -0.059 0.000 1.140 235 T HN 0.122 nan 8.240 nan 0.000 0.473 236 G N 2.019 110.895 108.800 0.127 0.000 2.547 236 G HA2 0.600 4.560 3.960 0.000 0.000 0.291 236 G HA3 0.600 4.560 3.960 0.000 0.000 0.291 236 G C -0.931 174.136 174.900 0.277 0.000 1.211 236 G CA -0.717 44.501 45.100 0.197 0.000 0.950 236 G HN 0.799 nan 8.290 nan 0.000 0.504 237 L N 1.427 122.801 121.223 0.251 0.000 2.277 237 L HA 0.337 4.677 4.340 0.000 0.000 0.284 237 L C -1.882 175.073 176.870 0.142 0.000 1.028 237 L CA -1.638 53.312 54.840 0.184 0.000 0.835 237 L CB 1.490 43.581 42.059 0.053 0.000 1.215 237 L HN 0.287 nan 8.230 nan 0.000 0.425 238 P HA -0.065 nan 4.420 nan 0.000 0.263 238 P C -1.142 176.230 177.300 0.120 0.000 1.168 238 P CA -0.031 63.151 63.100 0.138 0.000 0.759 238 P CB 0.246 32.051 31.700 0.176 0.000 0.782 239 D N 2.474 122.919 120.400 0.074 0.000 2.570 239 D HA 0.198 4.838 4.640 0.000 0.000 0.243 239 D C 1.246 177.519 176.300 -0.044 0.000 1.171 239 D CA 1.170 55.184 54.000 0.023 0.000 0.879 239 D CB -0.512 40.295 40.800 0.013 0.000 1.143 239 D HN 0.697 nan 8.370 nan 0.000 0.511 240 G N 2.458 111.225 108.800 -0.054 0.000 2.415 240 G HA2 -0.213 3.747 3.960 0.000 0.000 0.283 240 G HA3 -0.213 3.747 3.960 0.000 0.000 0.283 240 G C -0.569 174.167 174.900 -0.274 0.000 1.014 240 G CA -0.134 44.886 45.100 -0.134 0.000 1.323 240 G HN 0.770 nan 8.290 nan 0.000 0.502 241 H N -0.586 118.453 119.070 -0.053 0.000 3.086 241 H HA 0.402 4.958 4.556 -0.000 0.000 0.353 241 H C 0.242 175.506 175.328 -0.107 0.000 1.134 241 H CA 0.041 56.033 56.048 -0.093 0.000 1.248 241 H CB 1.602 31.287 29.762 -0.128 0.000 1.878 241 H HN 0.299 nan 8.280 nan 0.000 0.527 242 T N 1.950 116.536 114.554 0.052 0.000 2.907 242 T HA 0.014 4.364 4.350 0.000 0.000 0.298 242 T C 1.604 176.224 174.700 -0.134 0.000 1.017 242 T CA -0.371 61.712 62.100 -0.028 0.000 1.118 242 T CB 1.434 70.287 68.868 -0.025 0.000 0.948 242 T HN 0.612 nan 8.240 nan 0.000 0.531 243 E N 1.316 121.459 120.200 -0.096 0.000 2.108 243 E HA -0.279 4.072 4.350 0.000 0.000 0.203 243 E C 2.064 178.548 176.600 -0.194 0.000 1.022 243 E CA 1.778 58.117 56.400 -0.101 0.000 0.823 243 E CB 0.031 29.789 29.700 0.097 0.000 0.744 243 E HN 0.824 nan 8.360 nan 0.000 0.456 244 E N 0.087 120.222 120.200 -0.108 0.000 2.085 244 E HA -0.259 4.091 4.350 0.000 0.000 0.194 244 E C 1.407 177.892 176.600 -0.192 0.000 0.994 244 E CA 1.625 57.960 56.400 -0.109 0.000 0.801 244 E CB -0.025 29.642 29.700 -0.056 0.000 0.743 244 E HN 0.315 nan 8.360 nan 0.000 0.453 245 D N 0.090 120.354 120.400 -0.228 0.000 2.144 245 D HA -0.173 4.467 4.640 0.000 0.000 0.199 245 D C 1.952 177.981 176.300 -0.453 0.000 0.984 245 D CA 0.989 54.825 54.000 -0.274 0.000 0.834 245 D CB -0.143 40.531 40.800 -0.211 0.000 0.955 245 D HN 0.311 nan 8.370 nan 0.000 0.465 246 M N 0.298 119.476 119.600 -0.703 0.000 2.200 246 M HA -0.047 4.433 4.480 0.000 0.000 0.265 246 M C 2.188 178.021 176.300 -0.777 0.000 1.066 246 M CA 0.619 55.272 55.300 -1.079 0.000 1.127 246 M CB -0.546 30.692 32.600 -2.271 0.000 1.379 246 M HN 0.018 nan 8.290 nan 0.000 0.420 247 I N 0.686 120.963 120.570 -0.489 0.000 2.142 247 I HA -0.192 3.978 4.170 0.000 0.000 0.240 247 I C 2.611 178.622 176.117 -0.176 0.000 1.078 247 I CA 1.644 62.832 61.300 -0.187 0.000 1.343 247 I CB -1.893 36.070 38.000 -0.062 0.000 1.046 247 I HN 0.171 nan 8.210 nan 0.000 0.405 248 A N 0.593 123.300 122.820 -0.188 0.000 2.019 248 A HA -0.234 4.086 4.320 0.000 0.000 0.219 248 A C 2.280 179.769 177.584 -0.158 0.000 1.164 248 A CA 1.894 53.845 52.037 -0.145 0.000 0.644 248 A CB -0.567 18.356 19.000 -0.128 0.000 0.805 248 A HN 0.539 nan 8.150 nan 0.000 0.449 249 E N 0.995 121.057 120.200 -0.230 0.000 2.016 249 E HA -0.126 4.224 4.350 0.000 0.000 0.190 249 E C 1.159 177.660 176.600 -0.166 0.000 0.985 249 E CA 1.572 57.843 56.400 -0.216 0.000 0.802 249 E CB -0.255 29.258 29.700 -0.311 0.000 0.762 249 E HN 0.530 nan 8.360 nan 0.000 0.448 250 N N 0.924 119.513 118.700 -0.185 0.000 2.370 250 N HA 0.133 4.873 4.740 0.000 0.000 0.198 250 N C -0.569 174.876 175.510 -0.109 0.000 1.156 250 N CA 0.633 53.605 53.050 -0.130 0.000 0.839 250 N CB 0.309 38.737 38.487 -0.098 0.000 0.989 250 N HN 0.236 nan 8.380 nan 0.000 0.468 251 A N 0.920 123.680 122.820 -0.099 0.000 2.540 251 A HA 0.249 4.569 4.320 0.000 0.000 0.239 251 A C -0.148 177.388 177.584 -0.081 0.000 1.061 251 A CA 0.287 52.275 52.037 -0.081 0.000 0.758 251 A CB 0.144 19.104 19.000 -0.067 0.000 0.991 251 A HN 0.229 nan 8.150 nan 0.000 0.502 252 L N 3.911 125.073 121.223 -0.102 0.000 2.470 252 L HA 0.536 4.876 4.340 0.000 0.000 0.268 252 L C -2.277 174.519 176.870 -0.124 0.000 0.964 252 L CA -1.364 53.386 54.840 -0.149 0.000 0.839 252 L CB 1.752 43.660 42.059 -0.252 0.000 1.276 252 L HN 0.529 nan 8.230 nan 0.000 0.403 253 P HA 0.238 nan 4.420 nan 0.000 0.269 253 P C 0.072 177.322 177.300 -0.083 0.000 1.217 253 P CA -0.041 63.028 63.100 -0.053 0.000 0.783 253 P CB 0.747 32.450 31.700 0.005 0.000 0.898 254 A N 1.855 124.642 122.820 -0.055 0.000 1.930 254 A HA -0.034 4.286 4.320 0.000 0.000 0.215 254 A C 0.715 178.269 177.584 -0.050 0.000 1.176 254 A CA 1.237 53.241 52.037 -0.056 0.000 0.632 254 A CB -0.336 18.643 19.000 -0.035 0.000 0.819 254 A HN 0.529 nan 8.150 nan 0.000 0.445 255 K N 0.668 121.049 120.400 -0.033 0.000 2.118 255 K HA 0.437 4.757 4.320 0.000 0.000 0.254 255 K C -0.319 176.269 176.600 -0.020 0.000 0.961 255 K CA -0.209 56.067 56.287 -0.019 0.000 0.876 255 K CB 1.357 33.856 32.500 -0.002 0.000 1.077 255 K HN 0.329 nan 8.250 nan 0.000 0.440 256 T N -0.567 113.979 114.554 -0.014 0.000 2.899 256 T HA 0.159 4.509 4.350 0.000 0.000 0.295 256 T C 0.837 175.554 174.700 0.027 0.000 1.033 256 T CA -0.504 61.594 62.100 -0.004 0.000 1.084 256 T CB 1.268 70.134 68.868 -0.004 0.000 0.979 256 T HN 0.435 nan 8.240 nan 0.000 0.532 257 K N 0.784 121.214 120.400 0.051 0.000 2.141 257 K HA 0.127 4.447 4.320 0.000 0.000 0.202 257 K C 1.100 177.719 176.600 0.033 0.000 1.045 257 K CA 0.578 56.893 56.287 0.047 0.000 0.971 257 K CB -0.061 32.475 32.500 0.061 0.000 0.795 257 K HN 0.912 nan 8.250 nan 0.000 0.459 258 T N 0.058 114.638 114.554 0.043 0.000 2.737 258 T HA 0.560 4.910 4.350 0.000 0.000 0.296 258 T C 0.174 174.898 174.700 0.041 0.000 0.922 258 T CA -0.827 61.296 62.100 0.038 0.000 1.079 258 T CB 1.196 70.092 68.868 0.047 0.000 0.892 258 T HN 0.190 nan 8.240 nan 0.000 0.514 259 A N 2.812 125.650 122.820 0.030 0.000 2.540 259 A HA 0.524 4.844 4.320 0.000 0.000 0.239 259 A C 1.672 179.277 177.584 0.035 0.000 1.061 259 A CA 0.201 52.255 52.037 0.029 0.000 0.758 259 A CB -1.064 17.948 19.000 0.021 0.000 0.991 259 A HN 2.292 nan 8.150 nan 0.000 0.502 260 G N 0.821 109.642 108.800 0.035 0.000 2.217 260 G HA2 -0.196 3.764 3.960 0.000 0.000 0.246 260 G HA3 -0.196 3.764 3.960 0.000 0.000 0.246 260 G C 0.270 175.196 174.900 0.044 0.000 0.990 260 G CA 0.215 45.337 45.100 0.037 0.000 0.627 260 G HN 1.141 nan 8.290 nan 0.000 0.522 261 L N 1.044 122.299 121.223 0.054 0.000 2.455 261 L HA 0.652 4.992 4.340 0.000 0.000 0.272 261 L C 0.672 177.589 176.870 0.079 0.000 1.174 261 L CA 0.048 54.927 54.840 0.065 0.000 0.869 261 L CB 0.564 42.672 42.059 0.081 0.000 1.130 261 L HN 0.441 nan 8.230 nan 0.000 0.474 262 R N 4.067 124.623 120.500 0.093 0.000 2.604 262 R HA 0.256 4.596 4.340 0.000 0.000 0.261 262 R C -1.205 175.137 176.300 0.071 0.000 1.080 262 R CA -0.892 55.261 56.100 0.088 0.000 0.917 262 R CB 1.182 31.508 30.300 0.042 0.000 1.252 262 R HN 0.508 nan 8.270 nan 0.000 0.456 263 K N 2.762 123.175 120.400 0.022 0.000 2.530 263 K HA -0.071 4.249 4.320 0.000 0.000 0.280 263 K C -0.001 176.509 176.600 -0.151 0.000 1.004 263 K CA 0.109 56.284 56.287 -0.186 0.000 1.071 263 K CB 0.240 32.644 32.500 -0.160 0.000 0.876 263 K HN 0.346 nan 8.250 nan 0.000 0.487 264 L N 4.195 125.290 121.223 -0.213 0.000 2.477 264 L HA 0.023 4.363 4.340 0.000 0.000 0.272 264 L C -0.305 176.513 176.870 -0.088 0.000 1.157 264 L CA 0.963 55.738 54.840 -0.109 0.000 0.889 264 L CB 0.093 42.104 42.059 -0.080 0.000 1.158 264 L HN 0.440 nan 8.230 nan 0.000 0.473 265 K N 3.930 124.301 120.400 -0.048 0.000 2.258 265 K HA 0.378 4.698 4.320 0.000 0.000 0.236 265 K C 0.725 177.319 176.600 -0.010 0.000 1.008 265 K CA -1.013 55.255 56.287 -0.033 0.000 0.869 265 K CB 1.438 33.923 32.500 -0.026 0.000 1.171 265 K HN 0.381 nan 8.250 nan 0.000 0.447 266 K N 1.416 121.814 120.400 -0.003 0.000 2.074 266 K HA -0.224 4.096 4.320 0.000 0.000 0.209 266 K C 1.533 178.140 176.600 0.012 0.000 1.048 266 K CA 1.961 58.255 56.287 0.011 0.000 0.926 266 K CB 0.039 32.544 32.500 0.010 0.000 0.713 266 K HN 0.503 nan 8.250 nan 0.000 0.444 267 E N 1.072 121.275 120.200 0.004 0.000 2.031 267 E HA -0.153 4.197 4.350 0.000 0.000 0.193 267 E C 1.581 178.182 176.600 0.003 0.000 0.994 267 E CA 1.356 57.758 56.400 0.003 0.000 0.800 267 E CB -0.250 29.451 29.700 0.001 0.000 0.752 267 E HN 0.286 nan 8.360 nan 0.000 0.447 268 D N 0.563 120.964 120.400 0.002 0.000 2.354 268 D HA -0.141 4.499 4.640 0.000 0.000 0.216 268 D C 1.683 177.981 176.300 -0.003 0.000 0.970 268 D CA 0.417 54.416 54.000 -0.002 0.000 0.905 268 D CB -0.056 40.740 40.800 -0.007 0.000 0.903 268 D HN 0.127 nan 8.370 nan 0.000 0.508 269 I N 1.767 122.346 120.570 0.015 0.000 2.113 269 I HA -0.287 3.883 4.170 0.000 0.000 0.242 269 I C 1.978 178.084 176.117 -0.018 0.000 1.057 269 I CA 1.583 62.905 61.300 0.037 0.000 1.314 269 I CB -0.665 37.369 38.000 0.056 0.000 1.022 269 I HN -0.009 nan 8.210 nan 0.000 0.408 270 D N -0.357 120.030 120.400 -0.022 0.000 2.149 270 D HA -0.178 4.462 4.640 0.000 0.000 0.201 270 D C 2.170 178.476 176.300 0.010 0.000 0.972 270 D CA 0.882 54.871 54.000 -0.019 0.000 0.835 270 D CB -0.019 40.769 40.800 -0.020 0.000 0.966 270 D HN 0.444 nan 8.370 nan 0.000 0.476 271 Q N 0.314 120.114 119.800 -0.002 0.000 2.046 271 Q HA -0.101 4.239 4.340 0.000 0.000 0.200 271 Q C 2.144 178.133 176.000 -0.019 0.000 0.975 271 Q CA 1.050 56.855 55.803 0.003 0.000 0.836 271 Q CB 0.206 28.949 28.738 0.008 0.000 0.896 271 Q HN 0.053 nan 8.270 nan 0.000 0.428 272 V N 0.779 120.655 119.914 -0.064 0.000 2.427 272 V HA -0.224 3.896 4.120 0.000 0.000 0.248 272 V C 2.020 177.944 176.094 -0.284 0.000 1.051 272 V CA 1.764 63.974 62.300 -0.151 0.000 1.048 272 V CB -0.768 30.919 31.823 -0.226 0.000 0.666 272 V HN 0.425 nan 8.190 nan 0.000 0.456 273 F N 1.270 120.861 119.950 -0.598 0.000 2.126 273 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 273 F C 2.450 178.048 175.800 -0.337 0.000 1.096 273 F CA 1.938 59.411 58.000 -0.878 0.000 1.255 273 F CB -0.141 38.415 39.000 -0.741 0.000 0.997 273 F HN 0.118 nan 8.300 nan 0.000 0.479 274 E N 0.513 120.629 120.200 -0.141 0.000 2.017 274 E HA -0.227 4.123 4.350 0.000 0.000 0.193 274 E C 2.261 178.809 176.600 -0.086 0.000 0.997 274 E CA 1.404 57.730 56.400 -0.123 0.000 0.804 274 E CB -1.263 28.434 29.700 -0.005 0.000 0.757 274 E HN 0.461 nan 8.360 nan 0.000 0.448 275 L N 0.762 121.993 121.223 0.013 0.000 2.034 275 L HA -0.232 4.108 4.340 0.000 0.000 0.217 275 L C 2.305 179.305 176.870 0.217 0.000 1.077 275 L CA 1.822 56.754 54.840 0.153 0.000 0.769 275 L CB -0.836 41.312 42.059 0.148 0.000 0.890 275 L HN 0.088 nan 8.230 nan 0.000 0.435 276 F N 0.255 120.175 119.950 -0.050 0.000 2.102 276 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 276 F C 2.358 178.147 175.800 -0.018 0.000 1.105 276 F CA 1.738 59.763 58.000 0.042 0.000 1.239 276 F CB -0.435 38.543 39.000 -0.038 0.000 0.991 276 F HN 0.011 nan 8.300 nan 0.000 0.474 277 K N 0.472 120.662 120.400 -0.349 0.000 2.044 277 K HA -0.195 4.125 4.320 0.000 0.000 0.210 277 K C 2.353 178.788 176.600 -0.275 0.000 1.049 277 K CA 1.239 57.276 56.287 -0.417 0.000 0.927 277 K CB -0.578 31.648 32.500 -0.458 0.000 0.713 277 K HN 0.262 nan 8.250 nan 0.000 0.443 278 R N -0.299 120.115 120.500 -0.144 0.000 2.070 278 R HA -0.163 4.177 4.340 0.000 0.000 0.232 278 R C 2.381 178.696 176.300 0.024 0.000 1.138 278 R CA 1.723 57.764 56.100 -0.100 0.000 0.936 278 R CB -0.782 29.454 30.300 -0.107 0.000 0.839 278 R HN 0.346 nan 8.270 nan 0.000 0.429 279 Y N 1.292 121.702 120.300 0.184 0.000 2.181 279 Y HA -0.207 4.343 4.550 0.000 0.000 0.288 279 Y C 2.433 178.223 175.900 -0.183 0.000 1.146 279 Y CA 1.673 59.872 58.100 0.165 0.000 1.164 279 Y CB -0.185 38.369 38.460 0.157 0.000 0.982 279 Y HN 0.120 nan 8.280 nan 0.000 0.515 280 Q N 0.225 119.710 119.800 -0.526 0.000 2.364 280 Q HA -0.142 4.198 4.340 0.000 0.000 0.207 280 Q C 2.120 177.815 176.000 -0.509 0.000 0.970 280 Q CA 1.230 56.664 55.803 -0.615 0.000 0.888 280 Q CB -0.177 28.066 28.738 -0.825 0.000 0.951 280 Q HN 0.644 nan 8.270 nan 0.000 0.469 281 S N 0.114 115.555 115.700 -0.431 0.000 2.547 281 S HA -0.142 4.328 4.470 0.000 0.000 0.235 281 S C 1.635 176.023 174.600 -0.353 0.000 0.980 281 S CA 0.680 58.696 58.200 -0.307 0.000 0.941 281 S CB -0.273 62.786 63.200 -0.234 0.000 0.763 281 S HN 0.498 nan 8.310 nan 0.000 0.532 282 R N -0.133 119.993 120.500 -0.624 0.000 2.200 282 R HA 0.236 4.576 4.340 0.000 0.000 0.208 282 R C 0.061 176.069 176.300 -0.488 0.000 1.033 282 R CA 0.053 55.795 56.100 -0.596 0.000 1.000 282 R CB -0.480 29.383 30.300 -0.730 0.000 0.906 282 R HN 0.442 nan 8.270 nan 0.000 0.462 283 F N 1.483 121.336 119.950 -0.162 0.000 2.378 283 F HA 0.233 4.760 4.527 0.000 0.000 0.319 283 F C 1.416 177.172 175.800 -0.073 0.000 1.155 283 F CA -0.840 57.097 58.000 -0.106 0.000 1.157 283 F CB 0.906 39.835 39.000 -0.119 0.000 1.252 283 F HN -0.146 nan 8.300 nan 0.000 0.550 284 E N -0.103 120.188 120.200 0.151 0.000 2.140 284 E HA 0.056 4.406 4.350 0.000 0.000 0.191 284 E C -0.299 176.328 176.600 0.044 0.000 0.973 284 E CA 0.455 56.896 56.400 0.067 0.000 0.829 284 E CB 0.322 30.052 29.700 0.050 0.000 0.781 284 E HN 0.123 nan 8.360 nan 0.000 0.466 285 L N 2.056 123.296 121.223 0.027 0.000 2.298 285 L HA 0.503 4.843 4.340 0.000 0.000 0.284 285 L C -0.676 176.210 176.870 0.026 0.000 1.013 285 L CA -0.486 54.350 54.840 -0.006 0.000 0.824 285 L CB 0.576 42.589 42.059 -0.077 0.000 1.221 285 L HN 0.078 nan 8.230 nan 0.000 0.418 286 I N 1.184 121.791 120.570 0.063 0.000 3.279 286 I HA 0.505 4.675 4.170 0.000 0.000 0.315 286 I C -0.901 175.286 176.117 0.117 0.000 1.187 286 I CA -0.881 60.496 61.300 0.129 0.000 0.953 286 I CB 2.142 40.235 38.000 0.156 0.000 1.279 286 I HN 0.573 nan 8.210 nan 0.000 0.465 287 Q N 2.607 122.512 119.800 0.175 0.000 2.303 287 Q HA 0.434 4.774 4.340 0.000 0.000 0.257 287 Q C -1.119 174.919 176.000 0.063 0.000 0.941 287 Q CA -0.846 54.978 55.803 0.035 0.000 0.931 287 Q CB 1.268 29.931 28.738 -0.125 0.000 1.215 287 Q HN 0.574 nan 8.270 nan 0.000 0.437 288 I N 5.286 125.863 120.570 0.012 0.000 2.421 288 I HA 0.088 4.258 4.170 0.000 0.000 0.291 288 I C -0.177 175.993 176.117 0.089 0.000 1.089 288 I CA 0.249 61.604 61.300 0.093 0.000 1.354 288 I CB -0.564 37.472 38.000 0.060 0.000 1.413 288 I HN 0.557 nan 8.210 nan 0.000 0.513 289 F N 4.339 124.446 119.950 0.262 0.000 2.394 289 F HA 0.212 4.739 4.527 0.000 0.000 0.340 289 F C 1.331 177.393 175.800 0.437 0.000 1.105 289 F CA -0.336 57.893 58.000 0.382 0.000 1.124 289 F CB 1.367 40.729 39.000 0.604 0.000 1.145 289 F HN 0.450 nan 8.300 nan 0.000 0.505 290 T N -0.254 114.579 114.554 0.465 0.000 2.913 290 T HA 0.230 4.580 4.350 0.000 0.000 0.287 290 T C 0.991 175.824 174.700 0.221 0.000 1.008 290 T CA -0.937 61.341 62.100 0.297 0.000 1.067 290 T CB 1.342 70.298 68.868 0.147 0.000 0.996 290 T HN 0.581 nan 8.240 nan 0.000 0.513 291 K N 1.121 121.370 120.400 -0.252 0.000 2.173 291 K HA -0.170 4.150 4.320 0.000 0.000 0.207 291 K C 1.845 178.400 176.600 -0.075 0.000 1.046 291 K CA 1.706 57.629 56.287 -0.607 0.000 0.929 291 K CB -0.371 31.722 32.500 -0.679 0.000 0.720 291 K HN 0.761 nan 8.250 nan 0.000 0.453 292 E N 0.893 121.120 120.200 0.045 0.000 2.122 292 E HA -0.121 4.229 4.350 0.000 0.000 0.190 292 E C 1.743 178.478 176.600 0.225 0.000 0.977 292 E CA 0.810 57.278 56.400 0.114 0.000 0.820 292 E CB 0.158 29.900 29.700 0.070 0.000 0.770 292 E HN 0.694 nan 8.360 nan 0.000 0.462 293 E N -0.383 119.991 120.200 0.290 0.000 2.427 293 E HA -0.139 4.211 4.350 0.000 0.000 0.196 293 E C 1.767 178.706 176.600 0.565 0.000 1.028 293 E CA 0.246 56.874 56.400 0.380 0.000 0.864 293 E CB -0.335 29.538 29.700 0.289 0.000 0.813 293 E HN 0.205 nan 8.360 nan 0.000 0.514 294 F N 2.115 122.314 119.950 0.416 0.000 2.206 294 F HA -0.008 4.519 4.527 0.000 0.000 0.298 294 F C 2.255 178.187 175.800 0.220 0.000 1.090 294 F CA 1.450 59.592 58.000 0.237 0.000 1.323 294 F CB 0.282 39.472 39.000 0.317 0.000 1.028 294 F HN -0.041 nan 8.300 nan 0.000 0.492 295 E N -1.508 118.898 120.200 0.345 0.000 2.170 295 E HA -0.226 4.124 4.350 0.000 0.000 0.191 295 E C 1.951 178.659 176.600 0.179 0.000 0.981 295 E CA 0.748 57.293 56.400 0.241 0.000 0.830 295 E CB -0.182 29.637 29.700 0.198 0.000 0.775 295 E HN 0.592 nan 8.360 nan 0.000 0.470 296 H N 0.246 119.383 119.070 0.112 0.000 2.395 296 H HA 0.026 4.582 4.556 0.000 0.000 0.299 296 H C 1.659 177.074 175.328 0.145 0.000 1.070 296 H CA 1.797 57.911 56.048 0.110 0.000 1.356 296 H CB -0.053 29.762 29.762 0.088 0.000 1.401 296 H HN 0.031 nan 8.280 nan 0.000 0.524 297 N N -1.082 117.532 118.700 -0.143 0.000 2.521 297 N HA 0.004 4.744 4.740 0.000 0.000 0.188 297 N C 0.009 175.170 175.510 -0.582 0.000 1.146 297 N CA 0.679 53.554 53.050 -0.292 0.000 0.893 297 N CB 0.008 38.253 38.487 -0.404 0.000 0.975 297 N HN 0.429 nan 8.380 nan 0.000 0.451 298 F N -1.827 118.104 119.950 -0.033 0.000 2.883 298 F HA 0.380 4.908 4.527 0.000 0.000 0.351 298 F C -0.153 175.572 175.800 -0.124 0.000 0.970 298 F CA -0.624 57.310 58.000 -0.110 0.000 1.130 298 F CB 0.834 39.643 39.000 -0.318 0.000 1.015 298 F HN -0.173 nan 8.300 nan 0.000 0.585 299 I N 1.309 121.909 120.570 0.051 0.000 2.297 299 I HA 0.356 4.526 4.170 0.000 0.000 0.291 299 I C 0.899 176.974 176.117 -0.070 0.000 1.033 299 I CA -0.231 61.059 61.300 -0.017 0.000 1.253 299 I CB 0.529 38.539 38.000 0.018 0.000 1.396 299 I HN 0.046 nan 8.210 nan 0.000 0.476 300 G N 4.248 112.949 108.800 -0.164 0.000 2.664 300 G HA2 0.149 4.109 3.960 0.000 0.000 0.242 300 G HA3 0.149 4.109 3.960 0.000 0.000 0.242 300 G C -0.028 174.809 174.900 -0.105 0.000 1.225 300 G CA -0.449 44.519 45.100 -0.220 0.000 0.849 300 G HN 0.666 nan 8.290 nan 0.000 0.581 301 E N 0.567 120.725 120.200 -0.071 0.000 2.652 301 E HA -0.049 4.301 4.350 0.000 0.000 0.255 301 E C 0.398 176.973 176.600 -0.042 0.000 0.952 301 E CA 0.144 56.537 56.400 -0.012 0.000 0.947 301 E CB 0.438 30.145 29.700 0.011 0.000 0.912 301 E HN 0.312 nan 8.360 nan 0.000 0.489 302 E N 3.065 123.254 120.200 -0.017 0.000 2.415 302 E HA -0.026 4.324 4.350 0.000 0.000 0.263 302 E C -0.451 176.132 176.600 -0.028 0.000 0.995 302 E CA 1.045 57.429 56.400 -0.026 0.000 0.915 302 E CB 0.356 30.051 29.700 -0.007 0.000 0.951 302 E HN 0.798 nan 8.360 nan 0.000 0.449 303 S N 2.076 117.752 115.700 -0.041 0.000 3.697 303 S HA -0.219 4.251 4.470 0.000 0.000 0.388 303 S C -0.065 174.517 174.600 -0.030 0.000 0.941 303 S CA 0.469 58.650 58.200 -0.032 0.000 1.247 303 S CB -2.288 60.902 63.200 -0.016 0.000 0.904 303 S HN 0.416 nan 8.310 nan 0.000 0.518 304 L N 1.594 122.788 121.223 -0.049 0.000 2.334 304 L HA 0.629 4.969 4.340 0.000 0.000 0.277 304 L C -1.175 175.675 176.870 -0.033 0.000 1.075 304 L CA -2.265 52.550 54.840 -0.042 0.000 0.804 304 L CB 0.401 42.421 42.059 -0.065 0.000 1.174 304 L HN 0.244 nan 8.230 nan 0.000 0.438 305 P HA 0.013 nan 4.420 nan 0.000 0.272 305 P C 0.598 177.909 177.300 0.018 0.000 1.230 305 P CA -0.522 62.581 63.100 0.005 0.000 0.788 305 P CB 1.073 32.780 31.700 0.013 0.000 0.949 306 L N 1.478 122.729 121.223 0.046 0.000 2.127 306 L HA -0.171 4.169 4.340 0.000 0.000 0.211 306 L C 1.851 178.793 176.870 0.120 0.000 1.089 306 L CA 2.048 56.950 54.840 0.103 0.000 0.757 306 L CB -0.993 41.140 42.059 0.123 0.000 0.899 306 L HN 0.485 nan 8.230 nan 0.000 0.434 307 D N -1.482 118.961 120.400 0.072 0.000 2.378 307 D HA -0.166 4.474 4.640 0.000 0.000 0.227 307 D C 1.182 177.512 176.300 0.051 0.000 1.012 307 D CA 0.778 54.814 54.000 0.059 0.000 0.905 307 D CB 0.056 40.876 40.800 0.034 0.000 0.895 307 D HN 0.383 nan 8.370 nan 0.000 0.532 308 K N -0.330 120.098 120.400 0.047 0.000 2.481 308 K HA 0.062 4.382 4.320 0.000 0.000 0.210 308 K C 0.743 177.354 176.600 0.019 0.000 1.161 308 K CA -0.348 55.956 56.287 0.028 0.000 1.023 308 K CB 1.071 33.576 32.500 0.008 0.000 0.971 308 K HN 0.177 nan 8.250 nan 0.000 0.577 309 Q N 1.490 121.295 119.800 0.008 0.000 2.361 309 Q HA 0.028 4.368 4.340 0.000 0.000 0.276 309 Q C 0.613 176.576 176.000 -0.063 0.000 1.022 309 Q CA -0.013 55.712 55.803 -0.130 0.000 0.898 309 Q CB 0.951 29.494 28.738 -0.325 0.000 1.246 309 Q HN -0.118 nan 8.270 nan 0.000 0.410 310 V N 3.812 123.589 119.914 -0.230 0.000 2.735 310 V HA 0.139 4.259 4.120 0.000 0.000 0.234 310 V C 0.576 176.496 176.094 -0.291 0.000 1.121 310 V CA 0.062 62.255 62.300 -0.178 0.000 1.160 310 V CB 0.343 31.980 31.823 -0.309 0.000 0.908 310 V HN 0.689 nan 8.190 nan 0.000 0.495 311 I N 0.713 120.901 120.570 -0.637 0.000 2.392 311 I HA 0.442 4.612 4.170 0.000 0.000 0.295 311 I C -1.424 174.421 176.117 -0.453 0.000 0.985 311 I CA -0.270 60.728 61.300 -0.502 0.000 1.221 311 I CB 1.438 38.996 38.000 -0.736 0.000 1.366 311 I HN 0.117 nan 8.210 nan 0.000 0.467 312 F N 4.595 124.385 119.950 -0.266 0.000 2.460 312 F HA 0.358 4.885 4.527 -0.000 0.000 0.341 312 F C 0.205 175.765 175.800 -0.399 0.000 1.130 312 F CA -0.428 57.317 58.000 -0.426 0.000 0.962 312 F CB 1.731 40.297 39.000 -0.723 0.000 1.171 312 F HN 0.210 nan 8.300 nan 0.000 0.436 313 S N 3.224 118.725 115.700 -0.331 0.000 2.519 313 S HA 0.705 5.175 4.470 0.000 0.000 0.309 313 S C -1.343 172.950 174.600 -0.513 0.000 1.100 313 S CA -0.683 57.400 58.200 -0.194 0.000 1.059 313 S CB 0.998 64.209 63.200 0.018 0.000 1.008 313 S HN 0.420 nan 8.310 nan 0.000 0.478 314 Y N 0.586 120.724 120.300 -0.269 0.000 2.633 314 Y HA 0.826 5.376 4.550 -0.000 0.000 0.339 314 Y C 0.006 175.697 175.900 -0.347 0.000 1.045 314 Y CA -0.894 56.945 58.100 -0.435 0.000 1.098 314 Y CB 1.540 39.477 38.460 -0.871 0.000 1.296 314 Y HN 0.444 nan 8.280 nan 0.000 0.494 315 V N 0.873 120.734 119.914 -0.089 0.000 3.178 315 V HA 0.638 4.758 4.120 0.000 0.000 0.302 315 V C -1.808 174.289 176.094 0.005 0.000 1.262 315 V CA -0.818 61.483 62.300 0.001 0.000 1.030 315 V CB 2.623 34.469 31.823 0.039 0.000 1.074 315 V HN 0.467 nan 8.190 nan 0.000 0.438 316 V N 3.674 123.612 119.914 0.041 0.000 2.443 316 V HA 0.511 4.631 4.120 0.000 0.000 0.293 316 V C -0.294 175.827 176.094 0.044 0.000 1.021 316 V CA -0.528 61.800 62.300 0.046 0.000 0.848 316 V CB 1.550 33.409 31.823 0.060 0.000 0.998 316 V HN 0.877 nan 8.190 nan 0.000 0.424 317 E N 3.515 123.737 120.200 0.037 0.000 2.156 317 E HA 0.370 4.720 4.350 0.000 0.000 0.279 317 E C -0.562 176.056 176.600 0.029 0.000 0.965 317 E CA -0.719 55.700 56.400 0.032 0.000 0.789 317 E CB 1.060 30.776 29.700 0.026 0.000 1.098 317 E HN 0.568 nan 8.360 nan 0.000 0.397 318 Q N 3.304 123.121 119.800 0.029 0.000 2.417 318 Q HA 0.102 4.442 4.340 0.000 0.000 0.241 318 Q C -1.733 174.280 176.000 0.021 0.000 1.008 318 Q CA -1.686 54.132 55.803 0.025 0.000 0.901 318 Q CB 0.493 29.247 28.738 0.026 0.000 1.259 318 Q HN 0.458 nan 8.270 nan 0.000 0.489 319 P HA -0.186 nan 4.420 nan 0.000 0.219 319 P C 0.295 177.604 177.300 0.015 0.000 1.146 319 P CA 1.565 64.675 63.100 0.016 0.000 0.808 319 P CB 0.185 31.893 31.700 0.014 0.000 0.779 320 D N -1.981 118.429 120.400 0.016 0.000 2.219 320 D HA 0.010 4.650 4.640 0.000 0.000 0.205 320 D C 1.504 177.813 176.300 0.015 0.000 0.970 320 D CA 1.325 55.333 54.000 0.015 0.000 0.851 320 D CB -0.835 39.974 40.800 0.015 0.000 0.943 320 D HN 0.237 nan 8.370 nan 0.000 0.488 321 G N -0.381 108.429 108.800 0.017 0.000 2.205 321 G HA2 -0.240 3.720 3.960 0.000 0.000 0.180 321 G HA3 -0.240 3.720 3.960 0.000 0.000 0.180 321 G C 0.078 174.990 174.900 0.021 0.000 1.004 321 G CA -0.175 44.935 45.100 0.017 0.000 0.670 321 G HN 0.460 nan 8.290 nan 0.000 0.496 322 K N 0.917 121.332 120.400 0.025 0.000 2.270 322 K HA 0.513 4.833 4.320 0.000 0.000 0.276 322 K C 0.237 176.858 176.600 0.036 0.000 1.023 322 K CA -0.657 55.648 56.287 0.031 0.000 0.955 322 K CB 0.258 32.779 32.500 0.035 0.000 0.975 322 K HN 0.005 nan 8.250 nan 0.000 0.471 323 I N 5.236 125.831 120.570 0.042 0.000 2.291 323 I HA 0.020 4.190 4.170 0.000 0.000 0.292 323 I C 1.258 177.413 176.117 0.063 0.000 1.064 323 I CA -0.017 61.313 61.300 0.050 0.000 1.269 323 I CB 0.380 38.409 38.000 0.047 0.000 1.418 323 I HN 0.776 nan 8.210 nan 0.000 0.485 324 T N 3.738 118.326 114.554 0.056 0.000 2.812 324 T HA -0.022 4.328 4.350 0.000 0.000 0.264 324 T C 0.176 174.904 174.700 0.046 0.000 1.042 324 T CA 0.712 62.839 62.100 0.045 0.000 1.140 324 T CB -0.134 68.753 68.868 0.032 0.000 0.870 324 T HN 0.631 nan 8.240 nan 0.000 0.445 325 D N -0.013 120.436 120.400 0.081 0.000 2.609 325 D HA 0.570 5.210 4.640 0.000 0.000 0.239 325 D C -1.263 175.165 176.300 0.213 0.000 1.229 325 D CA -0.951 53.124 54.000 0.124 0.000 0.808 325 D CB 1.149 41.996 40.800 0.080 0.000 1.448 325 D HN 0.290 nan 8.370 nan 0.000 0.433 326 F N 0.239 120.224 119.950 0.057 0.000 2.619 326 F HA 0.815 5.342 4.527 -0.000 0.000 0.308 326 F C -2.153 173.733 175.800 0.143 0.000 1.097 326 F CA -1.288 56.704 58.000 -0.013 0.000 0.953 326 F CB 1.462 40.438 39.000 -0.041 0.000 1.287 326 F HN 0.440 nan 8.300 nan 0.000 0.446 327 F N 0.996 120.627 119.950 -0.532 0.000 2.715 327 F HA 0.906 5.433 4.527 -0.000 0.000 0.318 327 F C -1.198 174.427 175.800 -0.292 0.000 1.141 327 F CA -0.710 56.952 58.000 -0.563 0.000 0.950 327 F CB 1.677 40.591 39.000 -0.143 0.000 1.374 327 F HN 0.821 nan 8.300 nan 0.000 0.477 328 S N 0.643 116.522 115.700 0.298 0.000 2.547 328 S HA 0.836 5.306 4.470 0.000 0.000 0.270 328 S C -1.567 173.397 174.600 0.607 0.000 1.150 328 S CA -0.815 57.612 58.200 0.379 0.000 0.850 328 S CB 1.809 65.246 63.200 0.395 0.000 1.118 328 S HN 1.374 nan 8.310 nan 0.000 0.461 329 F N -0.639 119.680 119.950 0.615 0.000 2.601 329 F HA 0.852 5.379 4.527 -0.000 0.000 0.309 329 F C -1.068 174.988 175.800 0.428 0.000 1.089 329 F CA -1.560 56.721 58.000 0.470 0.000 0.940 329 F CB 0.617 39.868 39.000 0.418 0.000 1.273 329 F HN 0.794 nan 8.300 nan 0.000 0.450 330 Y N -0.216 120.341 120.300 0.429 0.000 2.446 330 Y HA 0.753 5.303 4.550 -0.000 0.000 0.338 330 Y C -0.289 175.830 175.900 0.365 0.000 1.055 330 Y CA -1.494 56.734 58.100 0.213 0.000 1.101 330 Y CB 1.463 39.822 38.460 -0.168 0.000 1.221 330 Y HN 0.833 nan 8.280 nan 0.000 0.460 331 S N 4.704 120.676 115.700 0.454 0.000 2.499 331 S HA 0.525 4.995 4.470 0.000 0.000 0.279 331 S C -1.059 173.748 174.600 0.344 0.000 1.219 331 S CA -0.726 57.671 58.200 0.328 0.000 1.062 331 S CB 0.500 63.908 63.200 0.345 0.000 0.978 331 S HN 0.810 nan 8.310 nan 0.000 0.489 332 L N 7.277 128.621 121.223 0.202 0.000 2.492 332 L HA 0.470 4.810 4.340 0.000 0.000 0.259 332 L C -2.690 174.077 176.870 -0.171 0.000 1.229 332 L CA -1.572 53.275 54.840 0.011 0.000 0.903 332 L CB 1.885 43.953 42.059 0.014 0.000 1.114 332 L HN 0.559 nan 8.230 nan 0.000 0.494 333 P HA 0.231 nan 4.420 nan 0.000 0.274 333 P C -0.594 176.561 177.300 -0.242 0.000 1.237 333 P CA -0.053 62.900 63.100 -0.244 0.000 0.793 333 P CB 0.987 32.610 31.700 -0.128 0.000 0.977 334 F N -0.890 118.895 119.950 -0.274 0.000 2.457 334 F HA 0.391 4.918 4.527 0.000 0.000 0.330 334 F C 1.225 176.934 175.800 -0.152 0.000 1.069 334 F CA -0.696 57.149 58.000 -0.258 0.000 1.009 334 F CB 2.026 40.848 39.000 -0.297 0.000 1.276 334 F HN 0.149 nan 8.300 nan 0.000 0.492 335 T N 3.562 118.189 114.554 0.120 0.000 2.809 335 T HA 0.450 4.800 4.350 0.000 0.000 0.284 335 T C -0.778 173.958 174.700 0.060 0.000 0.992 335 T CA -0.718 61.415 62.100 0.056 0.000 0.957 335 T CB 0.122 69.007 68.868 0.029 0.000 0.942 335 T HN 0.214 nan 8.240 nan 0.000 0.439 336 I N 6.365 126.980 120.570 0.075 0.000 2.396 336 I HA 0.425 4.595 4.170 0.000 0.000 0.292 336 I C 0.257 176.414 176.117 0.067 0.000 0.999 336 I CA -0.656 60.703 61.300 0.100 0.000 1.310 336 I CB 1.070 39.144 38.000 0.122 0.000 1.404 336 I HN 0.622 nan 8.210 nan 0.000 0.496 337 L N 5.511 126.767 121.223 0.055 0.000 2.304 337 L HA 0.534 4.874 4.340 0.000 0.000 0.268 337 L C 0.718 177.602 176.870 0.024 0.000 1.010 337 L CA -0.898 53.958 54.840 0.027 0.000 0.813 337 L CB 0.668 42.729 42.059 0.004 0.000 1.315 337 L HN 0.526 nan 8.230 nan 0.000 0.445 338 N N 0.816 119.521 118.700 0.009 0.000 2.708 338 N HA -0.230 4.510 4.740 0.000 0.000 0.251 338 N C -0.526 174.984 175.510 0.001 0.000 1.123 338 N CA 0.789 53.839 53.050 -0.001 0.000 0.739 338 N CB -1.373 37.109 38.487 -0.009 0.000 1.113 338 N HN 0.729 nan 8.380 nan 0.000 0.561 339 N N 0.244 118.952 118.700 0.013 0.000 2.372 339 N HA 0.250 4.990 4.740 0.000 0.000 0.285 339 N C 0.474 175.979 175.510 -0.009 0.000 1.008 339 N CA -0.117 52.943 53.050 0.016 0.000 0.880 339 N CB 0.961 39.490 38.487 0.070 0.000 1.239 339 N HN -0.033 nan 8.380 nan 0.000 0.484 340 T N 1.866 116.398 114.554 -0.037 0.000 3.118 340 T HA 0.058 4.408 4.350 0.000 0.000 0.260 340 T C 1.337 175.971 174.700 -0.111 0.000 1.139 340 T CA 0.814 62.878 62.100 -0.061 0.000 1.085 340 T CB 0.695 69.529 68.868 -0.057 0.000 0.934 340 T HN 0.507 nan 8.240 nan 0.000 0.518 341 K N -0.602 119.695 120.400 -0.171 0.000 2.485 341 K HA 0.220 4.540 4.320 0.000 0.000 0.200 341 K C -0.702 175.643 176.600 -0.425 0.000 1.352 341 K CA -0.057 56.010 56.287 -0.366 0.000 0.953 341 K CB 0.849 32.992 32.500 -0.594 0.000 1.387 341 K HN 0.260 nan 8.250 nan 0.000 0.512 342 Y N 0.740 121.024 120.300 -0.027 0.000 2.387 342 Y HA 0.296 4.846 4.550 0.000 0.000 0.336 342 Y C 0.895 176.786 175.900 -0.016 0.000 1.067 342 Y CA -0.773 57.312 58.100 -0.026 0.000 1.114 342 Y CB 1.669 40.109 38.460 -0.034 0.000 1.208 342 Y HN -0.233 nan 8.280 nan 0.000 0.458 343 K N 0.994 121.485 120.400 0.151 0.000 2.399 343 K HA 0.156 4.476 4.320 0.000 0.000 0.196 343 K C -0.869 175.772 176.600 0.069 0.000 1.103 343 K CA 0.423 56.759 56.287 0.081 0.000 0.986 343 K CB 0.421 32.949 32.500 0.047 0.000 0.952 343 K HN 0.913 nan 8.250 nan 0.000 0.541 344 D N -0.818 119.621 120.400 0.065 0.000 2.609 344 D HA 0.366 5.006 4.640 0.000 0.000 0.239 344 D C -1.323 174.953 176.300 -0.041 0.000 1.229 344 D CA -0.792 53.220 54.000 0.020 0.000 0.808 344 D CB 1.232 42.035 40.800 0.005 0.000 1.448 344 D HN -0.227 nan 8.370 nan 0.000 0.433 345 L N 1.099 122.271 121.223 -0.086 0.000 2.325 345 L HA 0.735 5.075 4.340 0.000 0.000 0.281 345 L C 0.134 176.854 176.870 -0.251 0.000 1.004 345 L CA -0.191 54.522 54.840 -0.212 0.000 0.823 345 L CB 1.608 43.482 42.059 -0.310 0.000 1.236 345 L HN 0.736 nan 8.230 nan 0.000 0.415 346 G N 6.458 115.107 108.800 -0.251 0.000 2.361 346 G HA2 0.464 4.424 3.960 0.000 0.000 0.260 346 G HA3 0.464 4.424 3.960 0.000 0.000 0.260 346 G C -0.503 174.190 174.900 -0.345 0.000 1.261 346 G CA -0.297 44.657 45.100 -0.243 0.000 0.897 346 G HN 0.483 nan 8.290 nan 0.000 0.499 347 I N 2.267 122.624 120.570 -0.354 0.000 2.418 347 I HA 0.450 4.620 4.170 0.000 0.000 0.287 347 I C 0.436 176.354 176.117 -0.332 0.000 1.008 347 I CA -0.704 60.306 61.300 -0.483 0.000 1.104 347 I CB 1.378 38.968 38.000 -0.684 0.000 1.264 347 I HN 0.502 nan 8.210 nan 0.000 0.438 348 G N 6.188 114.748 108.800 -0.400 0.000 2.487 348 G HA2 0.608 4.568 3.960 0.000 0.000 0.314 348 G HA3 0.608 4.568 3.960 0.000 0.000 0.314 348 G C -1.532 172.959 174.900 -0.682 0.000 1.267 348 G CA -0.241 44.678 45.100 -0.302 0.000 0.937 348 G HN 0.348 nan 8.290 nan 0.000 0.481 349 Y N 1.520 121.389 120.300 -0.718 0.000 2.341 349 Y HA 0.390 4.940 4.550 -0.000 0.000 0.337 349 Y C 0.301 175.842 175.900 -0.597 0.000 1.014 349 Y CA -1.330 56.324 58.100 -0.744 0.000 1.111 349 Y CB 2.000 40.011 38.460 -0.748 0.000 1.194 349 Y HN 0.442 nan 8.280 nan 0.000 0.462 350 L N 4.460 125.441 121.223 -0.403 0.000 2.500 350 L HA 0.054 4.394 4.340 0.000 0.000 0.272 350 L C -0.238 176.851 176.870 0.365 0.000 1.149 350 L CA 0.323 55.170 54.840 0.013 0.000 0.897 350 L CB -0.438 41.640 42.059 0.033 0.000 1.178 350 L HN 0.682 nan 8.230 nan 0.000 0.473 351 Y N 5.151 125.672 120.300 0.367 0.000 3.255 351 Y HA 0.273 4.823 4.550 0.000 0.000 0.254 351 Y C -0.219 175.829 175.900 0.247 0.000 0.887 351 Y CA -0.343 57.985 58.100 0.379 0.000 1.161 351 Y CB -0.181 38.650 38.460 0.620 0.000 1.152 351 Y HN 0.449 nan 8.280 nan 0.000 0.513 352 Y N 0.452 120.980 120.300 0.379 0.000 2.352 352 Y HA 0.414 4.964 4.550 -0.000 0.000 0.326 352 Y C -0.787 175.156 175.900 0.073 0.000 1.166 352 Y CA -0.524 57.689 58.100 0.188 0.000 1.182 352 Y CB 0.821 39.339 38.460 0.097 0.000 1.216 352 Y HN 0.262 nan 8.280 nan 0.000 0.474 353 Y N -0.774 119.683 120.300 0.262 0.000 2.655 353 Y HA 0.950 5.500 4.550 -0.000 0.000 0.336 353 Y C -1.469 174.637 175.900 0.342 0.000 1.154 353 Y CA -1.948 56.102 58.100 -0.083 0.000 1.055 353 Y CB 1.148 39.617 38.460 0.015 0.000 1.295 353 Y HN 0.678 nan 8.280 nan 0.000 0.465 354 A N 0.830 123.858 122.820 0.348 0.000 2.594 354 A HA 0.807 5.127 4.320 0.000 0.000 0.295 354 A C -1.172 176.397 177.584 -0.026 0.000 1.071 354 A CA -0.267 51.887 52.037 0.195 0.000 0.685 354 A CB 1.764 21.194 19.000 0.716 0.000 1.285 354 A HN 1.228 nan 8.150 nan 0.000 0.405 355 T N -0.091 114.222 114.554 -0.401 0.000 3.087 355 T HA 0.437 4.787 4.350 0.000 0.000 0.351 355 T C 0.070 174.405 174.700 -0.609 0.000 1.520 355 T CA 0.334 62.242 62.100 -0.319 0.000 1.111 355 T CB 1.045 69.782 68.868 -0.218 0.000 1.353 355 T HN 0.868 nan 8.240 nan 0.000 0.481 356 D N 3.548 123.600 120.400 -0.581 0.000 2.084 356 D HA 0.110 4.750 4.640 0.000 0.000 0.196 356 D C 2.191 178.127 176.300 -0.607 0.000 0.985 356 D CA 1.598 54.987 54.000 -1.018 0.000 0.826 356 D CB -0.629 39.992 40.800 -0.298 0.000 0.978 356 D HN 0.885 nan 8.370 nan 0.000 0.456 357 A N 1.860 124.537 122.820 -0.240 0.000 2.186 357 A HA -0.418 3.902 4.320 0.000 0.000 0.328 357 A C 1.576 179.207 177.584 0.079 0.000 4.918 357 A CA 3.322 55.322 52.037 -0.061 0.000 1.011 357 A CB -2.077 16.879 19.000 -0.072 0.000 0.565 357 A HN 0.652 nan 8.150 nan 0.000 0.439 358 D N -0.764 119.676 120.400 0.067 0.000 2.352 358 D HA 0.177 4.817 4.640 0.000 0.000 0.236 358 D C 1.042 177.603 176.300 0.434 0.000 1.148 358 D CA 0.019 54.173 54.000 0.257 0.000 0.844 358 D CB -1.027 39.807 40.800 0.056 0.000 0.933 358 D HN 0.700 nan 8.370 nan 0.000 0.507 359 F N 0.493 120.550 119.950 0.177 0.000 2.502 359 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 359 F C 1.936 177.785 175.800 0.081 0.000 1.111 359 F CA 0.179 58.243 58.000 0.108 0.000 1.445 359 F CB 0.288 39.330 39.000 0.070 0.000 1.081 359 F HN 0.019 nan 8.300 nan 0.000 0.558 360 Q N -0.406 119.563 119.800 0.282 0.000 2.403 360 Q HA 0.077 4.417 4.340 0.000 0.000 0.203 360 Q C -0.460 175.398 176.000 -0.237 0.000 0.932 360 Q CA 0.537 56.321 55.803 -0.032 0.000 0.945 360 Q CB 0.109 28.735 28.738 -0.188 0.000 1.045 360 Q HN 0.280 nan 8.270 nan 0.000 0.511 361 F N -0.369 119.623 119.950 0.069 0.000 2.594 361 F HA 0.303 4.830 4.527 0.000 0.000 0.335 361 F C 1.443 177.259 175.800 0.026 0.000 1.058 361 F CA -0.935 57.091 58.000 0.042 0.000 0.981 361 F CB 1.111 40.135 39.000 0.041 0.000 1.289 361 F HN -0.390 nan 8.300 nan 0.000 0.490 362 K N 0.045 120.585 120.400 0.234 0.000 1.968 362 K HA -0.059 4.261 4.320 0.000 0.000 0.215 362 K C -0.074 176.588 176.600 0.102 0.000 1.040 362 K CA 1.290 57.651 56.287 0.124 0.000 0.959 362 K CB -0.223 32.340 32.500 0.105 0.000 0.740 362 K HN 0.548 nan 8.250 nan 0.000 0.443 363 D N -0.297 120.165 120.400 0.103 0.000 2.181 363 D HA 0.098 4.738 4.640 0.000 0.000 0.248 363 D C 0.913 177.203 176.300 -0.017 0.000 1.020 363 D CA -0.176 53.857 54.000 0.055 0.000 0.891 363 D CB 1.507 42.364 40.800 0.095 0.000 1.187 363 D HN -0.020 nan 8.370 nan 0.000 0.443 364 R N 2.229 122.632 120.500 -0.162 0.000 2.096 364 R HA -0.107 4.233 4.340 0.000 0.000 0.235 364 R C 0.944 176.973 176.300 -0.451 0.000 1.127 364 R CA 1.327 57.188 56.100 -0.399 0.000 0.968 364 R CB -0.150 29.705 30.300 -0.742 0.000 0.861 364 R HN 0.485 nan 8.270 nan 0.000 0.440 365 F N 0.557 120.514 119.950 0.011 0.000 2.660 365 F HA 0.130 4.657 4.527 0.000 0.000 0.302 365 F C 0.172 175.966 175.800 -0.011 0.000 1.103 365 F CA -0.761 57.241 58.000 0.002 0.000 1.340 365 F CB 0.001 39.007 39.000 0.010 0.000 1.048 365 F HN -0.007 nan 8.300 nan 0.000 0.551 366 D N 2.064 122.513 120.400 0.082 0.000 2.412 366 D HA 0.011 4.651 4.640 0.000 0.000 0.257 366 D C -1.627 174.658 176.300 -0.026 0.000 1.217 366 D CA -1.635 52.389 54.000 0.040 0.000 0.897 366 D CB 1.056 41.879 40.800 0.039 0.000 1.132 366 D HN -0.079 nan 8.370 nan 0.000 0.493 367 P HA -0.248 nan 4.420 nan 0.000 0.219 367 P C 0.806 178.059 177.300 -0.079 0.000 1.161 367 P CA 1.972 65.064 63.100 -0.015 0.000 0.909 367 P CB 0.128 31.833 31.700 0.008 0.000 0.793 368 K N -1.131 119.208 120.400 -0.102 0.000 2.148 368 K HA -0.020 4.300 4.320 0.000 0.000 0.204 368 K C 2.150 178.451 176.600 -0.499 0.000 1.050 368 K CA 1.301 57.492 56.287 -0.161 0.000 0.942 368 K CB -0.535 31.962 32.500 -0.005 0.000 0.724 368 K HN 0.063 nan 8.250 nan 0.000 0.446 369 A N 1.076 123.422 122.820 -0.792 0.000 1.841 369 A HA -0.144 4.176 4.320 0.000 0.000 0.214 369 A C 2.237 179.509 177.584 -0.521 0.000 1.195 369 A CA 2.010 53.309 52.037 -1.231 0.000 0.611 369 A CB -1.158 17.332 19.000 -0.849 0.000 0.835 369 A HN 0.224 nan 8.150 nan 0.000 0.443 370 T N 0.070 114.457 114.554 -0.278 0.000 2.685 370 T HA -0.242 4.108 4.350 0.000 0.000 0.268 370 T C 1.949 176.591 174.700 -0.097 0.000 1.034 370 T CA 1.866 63.892 62.100 -0.123 0.000 1.149 370 T CB -0.297 68.548 68.868 -0.037 0.000 0.860 370 T HN 0.577 nan 8.240 nan 0.000 0.449 371 K N 1.083 121.412 120.400 -0.118 0.000 2.020 371 K HA -0.132 4.188 4.320 0.000 0.000 0.212 371 K C 2.515 179.074 176.600 -0.068 0.000 1.050 371 K CA 1.590 57.833 56.287 -0.074 0.000 0.929 371 K CB -0.403 32.056 32.500 -0.069 0.000 0.714 371 K HN 0.324 nan 8.250 nan 0.000 0.443 372 A N 1.431 124.186 122.820 -0.108 0.000 2.067 372 A HA -0.098 4.222 4.320 0.000 0.000 0.219 372 A C 2.087 179.646 177.584 -0.042 0.000 1.158 372 A CA 0.895 52.900 52.037 -0.053 0.000 0.661 372 A CB -0.402 18.590 19.000 -0.013 0.000 0.801 372 A HN 0.432 nan 8.150 nan 0.000 0.452 373 L N -0.658 120.526 121.223 -0.064 0.000 2.044 373 L HA -0.146 4.194 4.340 0.000 0.000 0.205 373 L C 2.574 179.444 176.870 0.000 0.000 1.075 373 L CA 2.098 56.922 54.840 -0.027 0.000 0.747 373 L CB -0.414 41.639 42.059 -0.010 0.000 0.903 373 L HN 0.530 nan 8.230 nan 0.000 0.435 374 K N -0.706 119.700 120.400 0.010 0.000 2.020 374 K HA -0.281 4.039 4.320 0.000 0.000 0.212 374 K C 2.012 178.618 176.600 0.010 0.000 1.050 374 K CA 2.323 58.632 56.287 0.037 0.000 0.929 374 K CB -0.330 32.189 32.500 0.032 0.000 0.714 374 K HN 0.272 nan 8.250 nan 0.000 0.443 375 T N -0.128 114.420 114.554 -0.011 0.000 2.803 375 T HA -0.159 4.191 4.350 0.000 0.000 0.269 375 T C 1.958 176.632 174.700 -0.044 0.000 1.052 375 T CA 1.539 63.623 62.100 -0.027 0.000 1.136 375 T CB -0.176 68.678 68.868 -0.025 0.000 0.864 375 T HN 0.250 nan 8.240 nan 0.000 0.467 376 R N 0.434 120.907 120.500 -0.044 0.000 2.057 376 R HA 0.229 4.569 4.340 0.000 0.000 0.229 376 R C 2.528 178.761 176.300 -0.111 0.000 1.136 376 R CA 1.393 57.456 56.100 -0.061 0.000 0.952 376 R CB -0.984 29.283 30.300 -0.055 0.000 0.848 376 R HN 0.472 nan 8.270 nan 0.000 0.430 377 L N -0.554 120.593 121.223 -0.127 0.000 2.042 377 L HA -0.261 4.079 4.340 0.000 0.000 0.210 377 L C 2.523 179.178 176.870 -0.359 0.000 1.076 377 L CA 1.387 56.063 54.840 -0.273 0.000 0.749 377 L CB -0.539 41.432 42.059 -0.146 0.000 0.893 377 L HN 0.315 nan 8.230 nan 0.000 0.432 378 C N -0.056 119.154 119.300 -0.150 0.000 2.413 378 C HA -0.158 4.302 4.460 0.000 0.000 0.277 378 C C 2.677 177.600 174.990 -0.111 0.000 1.265 378 C CA 0.845 59.810 59.018 -0.089 0.000 1.752 378 C CB -0.726 27.004 27.740 -0.017 0.000 1.998 378 C HN 0.513 nan 8.230 nan 0.000 0.489 379 E N 0.155 120.284 120.200 -0.117 0.000 2.072 379 E HA -0.093 4.257 4.350 0.000 0.000 0.190 379 E C 2.170 178.717 176.600 -0.089 0.000 0.982 379 E CA 0.769 57.118 56.400 -0.086 0.000 0.803 379 E CB -0.117 29.542 29.700 -0.068 0.000 0.755 379 E HN 0.590 nan 8.360 nan 0.000 0.453 380 L N 0.885 122.003 121.223 -0.175 0.000 1.961 380 L HA -0.189 4.151 4.340 0.000 0.000 0.210 380 L C 2.332 178.855 176.870 -0.580 0.000 1.072 380 L CA 0.790 55.481 54.840 -0.248 0.000 0.749 380 L CB -0.341 41.582 42.059 -0.226 0.000 0.889 380 L HN 0.226 nan 8.230 nan 0.000 0.432 381 I N -1.126 119.025 120.570 -0.698 0.000 2.454 381 I HA -0.309 3.861 4.170 0.000 0.000 0.254 381 I C 2.408 178.264 176.117 -0.434 0.000 1.156 381 I CA 1.326 62.176 61.300 -0.751 0.000 1.433 381 I CB -1.377 36.008 38.000 -1.025 0.000 1.082 381 I HN 0.283 nan 8.210 nan 0.000 0.432 382 Y N 2.594 122.672 120.300 -0.369 0.000 2.151 382 Y HA -0.293 4.257 4.550 0.000 0.000 0.284 382 Y C 2.235 177.959 175.900 -0.293 0.000 1.166 382 Y CA 1.964 59.914 58.100 -0.251 0.000 1.163 382 Y CB -0.176 38.180 38.460 -0.173 0.000 0.974 382 Y HN 0.218 nan 8.280 nan 0.000 0.511 383 D N -0.320 119.939 120.400 -0.235 0.000 2.178 383 D HA -0.120 4.520 4.640 0.000 0.000 0.202 383 D C 2.286 178.353 176.300 -0.389 0.000 0.974 383 D CA 1.166 55.016 54.000 -0.249 0.000 0.841 383 D CB -0.628 40.140 40.800 -0.053 0.000 0.953 383 D HN 0.457 nan 8.370 nan 0.000 0.478 384 A N 0.670 123.130 122.820 -0.600 0.000 1.873 384 A HA -0.249 4.071 4.320 0.000 0.000 0.218 384 A C 2.537 179.579 177.584 -0.903 0.000 1.193 384 A CA 1.675 53.349 52.037 -0.605 0.000 0.629 384 A CB -1.126 17.486 19.000 -0.647 0.000 0.826 384 A HN 0.373 nan 8.150 nan 0.000 0.447 385 C N -0.215 118.497 119.300 -0.980 0.000 2.413 385 C HA -0.114 4.346 4.460 0.000 0.000 0.277 385 C C 2.570 177.116 174.990 -0.739 0.000 1.265 385 C CA 0.829 59.237 59.018 -1.017 0.000 1.752 385 C CB -1.246 26.030 27.740 -0.772 0.000 1.998 385 C HN 0.588 nan 8.230 nan 0.000 0.489 386 I N 0.830 121.034 120.570 -0.611 0.000 2.179 386 I HA -0.176 3.994 4.170 0.000 0.000 0.242 386 I C 2.368 178.283 176.117 -0.338 0.000 1.088 386 I CA 1.844 62.887 61.300 -0.429 0.000 1.357 386 I CB -1.453 36.348 38.000 -0.333 0.000 1.051 386 I HN 0.354 nan 8.210 nan 0.000 0.409 387 L N 0.662 121.689 121.223 -0.327 0.000 2.072 387 L HA -0.104 4.236 4.340 0.000 0.000 0.205 387 L C 2.865 179.600 176.870 -0.224 0.000 1.079 387 L CA 1.230 55.965 54.840 -0.174 0.000 0.752 387 L CB -0.692 41.300 42.059 -0.112 0.000 0.906 387 L HN 0.166 nan 8.230 nan 0.000 0.436 388 A N 0.563 123.030 122.820 -0.588 0.000 1.865 388 A HA -0.299 4.021 4.320 0.000 0.000 0.217 388 A C 2.351 179.654 177.584 -0.469 0.000 1.191 388 A CA 2.275 53.839 52.037 -0.789 0.000 0.623 388 A CB -0.572 17.672 19.000 -1.259 0.000 0.826 388 A HN 0.365 nan 8.150 nan 0.000 0.444 389 K N -0.162 119.974 120.400 -0.440 0.000 2.044 389 K HA -0.229 4.091 4.320 0.000 0.000 0.210 389 K C 1.561 178.039 176.600 -0.203 0.000 1.049 389 K CA 2.132 58.238 56.287 -0.302 0.000 0.927 389 K CB -0.379 31.943 32.500 -0.298 0.000 0.713 389 K HN 0.470 nan 8.250 nan 0.000 0.443 390 N N -0.420 118.175 118.700 -0.174 0.000 2.573 390 N HA -0.046 4.694 4.740 0.000 0.000 0.187 390 N C 0.472 175.956 175.510 -0.045 0.000 1.107 390 N CA 0.828 53.825 53.050 -0.089 0.000 0.918 390 N CB 0.177 38.630 38.487 -0.056 0.000 0.966 390 N HN 0.355 nan 8.380 nan 0.000 0.448 391 A N 0.473 123.240 122.820 -0.087 0.000 2.415 391 A HA 0.140 4.460 4.320 0.000 0.000 0.248 391 A C 0.093 177.641 177.584 -0.059 0.000 1.299 391 A CA -0.412 51.601 52.037 -0.040 0.000 0.899 391 A CB -0.239 18.666 19.000 -0.159 0.000 0.997 391 A HN 0.307 nan 8.150 nan 0.000 0.506 392 N N -0.222 118.429 118.700 -0.082 0.000 2.708 392 N HA -0.160 4.580 4.740 0.000 0.000 0.249 392 N C -0.107 175.328 175.510 -0.126 0.000 1.097 392 N CA 1.250 54.248 53.050 -0.086 0.000 0.710 392 N CB -1.620 36.843 38.487 -0.040 0.000 1.032 392 N HN 0.536 nan 8.380 nan 0.000 0.551 393 M N 0.353 119.844 119.600 -0.181 0.000 2.241 393 M HA 0.139 4.619 4.480 0.000 0.000 0.335 393 M C 1.058 177.215 176.300 -0.238 0.000 1.122 393 M CA 0.300 55.467 55.300 -0.222 0.000 1.164 393 M CB 0.574 33.010 32.600 -0.274 0.000 1.459 393 M HN -0.088 nan 8.290 nan 0.000 0.461 394 D N 0.416 120.656 120.400 -0.267 0.000 2.423 394 D HA 0.185 4.825 4.640 0.000 0.000 0.212 394 D C -0.134 175.990 176.300 -0.292 0.000 1.060 394 D CA 0.530 54.365 54.000 -0.275 0.000 0.872 394 D CB 1.262 41.878 40.800 -0.306 0.000 1.012 394 D HN 0.313 nan 8.370 nan 0.000 0.503 395 V N 0.496 120.216 119.914 -0.324 0.000 2.925 395 V HA 0.488 4.608 4.120 0.000 0.000 0.311 395 V C -1.998 173.946 176.094 -0.249 0.000 1.104 395 V CA -0.844 61.265 62.300 -0.319 0.000 0.954 395 V CB 2.811 34.368 31.823 -0.443 0.000 1.022 395 V HN -0.150 nan 8.190 nan 0.000 0.427 396 F N 5.308 125.021 119.950 -0.395 0.000 2.427 396 F HA 0.640 5.167 4.527 0.000 0.000 0.348 396 F C -0.051 175.666 175.800 -0.137 0.000 1.125 396 F CA -0.752 57.044 58.000 -0.340 0.000 0.989 396 F CB 1.600 40.390 39.000 -0.350 0.000 1.165 396 F HN 0.526 nan 8.300 nan 0.000 0.442 397 N N 3.977 122.360 118.700 -0.528 0.000 2.421 397 N HA 0.734 5.474 4.740 0.000 0.000 0.285 397 N C -1.088 174.350 175.510 -0.121 0.000 1.027 397 N CA -0.425 52.478 53.050 -0.246 0.000 0.918 397 N CB 1.854 40.056 38.487 -0.475 0.000 1.152 397 N HN 0.640 nan 8.380 nan 0.000 0.485 398 A N 1.682 124.556 122.820 0.090 0.000 2.486 398 A HA 0.731 5.051 4.320 0.000 0.000 0.300 398 A C -1.088 176.514 177.584 0.030 0.000 1.048 398 A CA -0.527 51.528 52.037 0.031 0.000 0.696 398 A CB 0.818 19.720 19.000 -0.163 0.000 1.278 398 A HN 0.463 nan 8.150 nan 0.000 0.405 399 L N 0.415 121.655 121.223 0.028 0.000 2.358 399 L HA 0.540 4.880 4.340 0.000 0.000 0.268 399 L C 1.925 178.734 176.870 -0.103 0.000 1.032 399 L CA 0.154 54.965 54.840 -0.048 0.000 0.805 399 L CB 1.052 43.100 42.059 -0.018 0.000 1.253 399 L HN 0.893 nan 8.230 nan 0.000 0.452 400 T N -3.643 110.841 114.554 -0.117 0.000 3.007 400 T HA -0.036 4.314 4.350 0.000 0.000 0.270 400 T C 0.905 175.554 174.700 -0.085 0.000 1.107 400 T CA 0.438 62.468 62.100 -0.116 0.000 1.118 400 T CB -0.636 68.180 68.868 -0.087 0.000 0.889 400 T HN 0.648 nan 8.240 nan 0.000 0.506 401 S N 1.239 116.897 115.700 -0.070 0.000 2.553 401 S HA 0.163 4.633 4.470 0.000 0.000 0.271 401 S C 0.475 175.003 174.600 -0.119 0.000 1.362 401 S CA -0.469 57.662 58.200 -0.115 0.000 1.010 401 S CB 0.033 63.164 63.200 -0.114 0.000 0.865 401 S HN 0.748 nan 8.310 nan 0.000 0.543 402 Q N -0.010 119.614 119.800 -0.292 0.000 1.113 402 Q HA -0.220 4.120 4.340 0.000 0.000 0.352 402 Q C 0.020 176.087 176.000 0.112 0.000 1.021 402 Q CA 1.437 57.004 55.803 -0.394 0.000 0.584 402 Q CB -1.230 27.338 28.738 -0.285 0.000 4.825 402 Q HN 0.884 nan 8.270 nan 0.000 0.491 403 D N -0.041 120.597 120.400 0.398 0.000 2.340 403 D HA 0.057 4.697 4.640 0.000 0.000 0.220 403 D C 0.834 177.299 176.300 0.275 0.000 1.039 403 D CA 0.126 54.377 54.000 0.418 0.000 0.866 403 D CB -0.241 40.906 40.800 0.579 0.000 0.913 403 D HN 0.282 nan 8.370 nan 0.000 0.523 404 N N 0.667 119.479 118.700 0.186 0.000 2.133 404 N HA -0.154 4.586 4.740 0.000 0.000 0.193 404 N C 1.438 176.546 175.510 -0.670 0.000 1.012 404 N CA 1.276 54.151 53.050 -0.292 0.000 0.871 404 N CB -0.051 38.254 38.487 -0.304 0.000 1.011 404 N HN 0.135 nan 8.380 nan 0.000 0.435 405 T N 1.918 116.304 114.554 -0.280 0.000 2.881 405 T HA -0.045 4.305 4.350 0.000 0.000 0.270 405 T C 2.075 176.672 174.700 -0.172 0.000 1.068 405 T CA 0.562 62.524 62.100 -0.230 0.000 1.131 405 T CB -0.133 68.681 68.868 -0.089 0.000 0.871 405 T HN 0.218 nan 8.240 nan 0.000 0.479 406 L N 0.548 121.726 121.223 -0.074 0.000 2.083 406 L HA -0.038 4.302 4.340 0.000 0.000 0.209 406 L C 2.188 179.079 176.870 0.035 0.000 1.083 406 L CA 1.439 56.291 54.840 0.020 0.000 0.752 406 L CB -0.597 41.526 42.059 0.107 0.000 0.899 406 L HN 0.420 nan 8.230 nan 0.000 0.433 407 F N -2.960 116.955 119.950 -0.058 0.000 2.720 407 F HA 0.279 4.806 4.527 0.000 0.000 0.301 407 F C 1.746 177.498 175.800 -0.080 0.000 1.103 407 F CA -0.226 57.729 58.000 -0.075 0.000 1.291 407 F CB -0.623 38.306 39.000 -0.118 0.000 1.086 407 F HN -0.213 nan 8.300 nan 0.000 0.592 408 L N 1.021 121.876 121.223 -0.613 0.000 1.971 408 L HA -0.215 4.125 4.340 0.000 0.000 0.215 408 L C 2.062 178.953 176.870 0.036 0.000 1.072 408 L CA 1.970 56.548 54.840 -0.437 0.000 0.758 408 L CB -0.698 41.086 42.059 -0.458 0.000 0.889 408 L HN 0.116 nan 8.230 nan 0.000 0.433 409 D N -0.476 119.925 120.400 0.001 0.000 2.144 409 D HA -0.157 4.483 4.640 0.000 0.000 0.200 409 D C 1.782 178.136 176.300 0.090 0.000 0.978 409 D CA 1.075 55.107 54.000 0.054 0.000 0.833 409 D CB -0.322 40.487 40.800 0.015 0.000 0.961 409 D HN 0.273 nan 8.370 nan 0.000 0.470 410 D N -0.140 120.319 120.400 0.098 0.000 2.178 410 D HA -0.032 4.608 4.640 0.000 0.000 0.201 410 D C 1.227 177.619 176.300 0.154 0.000 0.980 410 D CA 0.526 54.587 54.000 0.102 0.000 0.842 410 D CB 0.086 40.940 40.800 0.091 0.000 0.948 410 D HN 0.196 nan 8.370 nan 0.000 0.472 411 L N 0.371 121.761 121.223 0.278 0.000 2.848 411 L HA 0.200 4.540 4.340 0.000 0.000 0.240 411 L C 0.002 177.025 176.870 0.255 0.000 1.232 411 L CA -0.149 54.904 54.840 0.355 0.000 1.031 411 L CB 0.002 42.413 42.059 0.587 0.000 1.338 411 L HN -0.052 nan 8.230 nan 0.000 0.509 412 K N -0.964 119.532 120.400 0.161 0.000 3.129 412 K HA -0.217 4.103 4.320 0.000 0.000 0.273 412 K C -0.429 176.155 176.600 -0.028 0.000 1.123 412 K CA 0.741 57.047 56.287 0.032 0.000 0.800 412 K CB -2.468 30.001 32.500 -0.051 0.000 1.238 412 K HN 0.163 nan 8.250 nan 0.000 0.492 413 F N 2.084 122.043 119.950 0.016 0.000 2.619 413 F HA 0.224 4.751 4.527 -0.000 0.000 0.350 413 F C 1.734 177.510 175.800 -0.040 0.000 1.259 413 F CA 0.148 58.144 58.000 -0.007 0.000 1.204 413 F CB 0.369 39.353 39.000 -0.025 0.000 1.556 413 F HN 0.140 nan 8.300 nan 0.000 0.650 414 G N 3.236 112.077 108.800 0.069 0.000 2.484 414 G HA2 0.229 4.189 3.960 0.000 0.000 0.235 414 G HA3 0.229 4.189 3.960 0.000 0.000 0.235 414 G C -2.617 172.287 174.900 0.006 0.000 1.282 414 G CA -1.041 44.087 45.100 0.047 0.000 0.857 414 G HN 0.209 nan 8.290 nan 0.000 0.571 415 P HA 0.194 nan 4.420 nan 0.000 0.268 415 P C 0.678 177.937 177.300 -0.069 0.000 1.204 415 P CA 0.114 63.178 63.100 -0.060 0.000 0.768 415 P CB 1.009 32.693 31.700 -0.027 0.000 0.842 416 G N 1.761 110.446 108.800 -0.191 0.000 2.547 416 G HA2 0.203 4.163 3.960 0.000 0.000 0.291 416 G HA3 0.203 4.163 3.960 0.000 0.000 0.291 416 G C 0.460 175.362 174.900 0.004 0.000 1.211 416 G CA -0.506 44.565 45.100 -0.048 0.000 0.950 416 G HN 0.530 nan 8.290 nan 0.000 0.504 417 D N -0.744 119.721 120.400 0.109 0.000 2.354 417 D HA 0.075 4.715 4.640 0.000 0.000 0.209 417 D C 1.200 177.562 176.300 0.105 0.000 1.015 417 D CA 0.143 54.202 54.000 0.099 0.000 0.867 417 D CB -0.003 40.887 40.800 0.149 0.000 0.933 417 D HN 0.439 nan 8.370 nan 0.000 0.520 418 G N -0.242 108.646 108.800 0.147 0.000 2.507 418 G HA2 0.446 4.406 3.960 0.000 0.000 0.271 418 G HA3 0.446 4.406 3.960 0.000 0.000 0.271 418 G C -1.163 173.777 174.900 0.066 0.000 1.189 418 G CA -0.475 44.803 45.100 0.296 0.000 0.859 418 G HN 0.050 nan 8.290 nan 0.000 0.542 419 F N -0.651 119.458 119.950 0.265 0.000 2.576 419 F HA 0.491 5.018 4.527 0.000 0.000 0.313 419 F C 0.008 175.822 175.800 0.023 0.000 1.078 419 F CA -0.786 57.259 58.000 0.075 0.000 0.921 419 F CB 2.395 41.433 39.000 0.063 0.000 1.232 419 F HN 0.142 nan 8.300 nan 0.000 0.459 420 L N 2.669 123.885 121.223 -0.013 0.000 2.329 420 L HA 0.523 4.863 4.340 0.000 0.000 0.279 420 L C -1.179 175.575 176.870 -0.193 0.000 1.014 420 L CA -0.527 54.219 54.840 -0.156 0.000 0.814 420 L CB 1.835 43.657 42.059 -0.395 0.000 1.257 420 L HN 0.731 nan 8.230 nan 0.000 0.424 421 N N 3.236 121.732 118.700 -0.340 0.000 2.321 421 N HA 0.471 5.211 4.740 0.000 0.000 0.299 421 N C -1.530 173.437 175.510 -0.904 0.000 1.048 421 N CA -0.509 52.247 53.050 -0.490 0.000 0.836 421 N CB 1.758 39.962 38.487 -0.470 0.000 1.269 421 N HN 0.260 nan 8.380 nan 0.000 0.486 422 F N 2.409 122.000 119.950 -0.598 0.000 2.404 422 F HA 0.401 4.928 4.527 0.000 0.000 0.354 422 F C -0.408 174.997 175.800 -0.658 0.000 1.122 422 F CA -0.498 57.199 58.000 -0.505 0.000 1.080 422 F CB 0.503 39.367 39.000 -0.228 0.000 1.131 422 F HN 0.351 nan 8.300 nan 0.000 0.471 423 Y N 3.016 123.169 120.300 -0.245 0.000 2.509 423 Y HA 0.711 5.261 4.550 0.000 0.000 0.341 423 Y C -0.535 175.244 175.900 -0.203 0.000 1.038 423 Y CA -1.257 56.583 58.100 -0.433 0.000 1.089 423 Y CB 1.662 39.414 38.460 -1.180 0.000 1.241 423 Y HN 0.277 nan 8.280 nan 0.000 0.468 424 L N 3.157 124.470 121.223 0.149 0.000 2.356 424 L HA 0.389 4.729 4.340 0.000 0.000 0.277 424 L C -1.114 175.997 176.870 0.402 0.000 0.996 424 L CA -0.634 54.373 54.840 0.277 0.000 0.822 424 L CB 1.474 43.677 42.059 0.240 0.000 1.256 424 L HN 0.522 nan 8.230 nan 0.000 0.413 425 F N 4.008 124.184 119.950 0.376 0.000 2.404 425 F HA 0.268 4.795 4.527 -0.000 0.000 0.345 425 F C 1.217 177.208 175.800 0.317 0.000 1.110 425 F CA -0.208 57.997 58.000 0.340 0.000 1.130 425 F CB 0.594 39.780 39.000 0.310 0.000 1.129 425 F HN 0.733 nan 8.300 nan 0.000 0.500 426 N N 4.520 122.924 118.700 -0.494 0.000 2.740 426 N HA -0.309 4.431 4.740 0.000 0.000 0.248 426 N C -1.723 173.949 175.510 0.271 0.000 1.062 426 N CA 0.556 53.436 53.050 -0.283 0.000 0.704 426 N CB -0.958 37.239 38.487 -0.484 0.000 0.968 426 N HN 0.693 nan 8.380 nan 0.000 0.547 427 Y N -0.181 120.152 120.300 0.055 0.000 2.299 427 Y HA 0.330 4.880 4.550 -0.000 0.000 0.318 427 Y C -0.689 175.221 175.900 0.017 0.000 1.205 427 Y CA -0.840 57.296 58.100 0.059 0.000 1.106 427 Y CB 0.848 39.336 38.460 0.046 0.000 1.246 427 Y HN -0.000 nan 8.280 nan 0.000 0.415 428 R N 3.287 123.631 120.500 -0.260 0.000 2.539 428 R HA 0.825 5.165 4.340 0.000 0.000 0.275 428 R C -0.875 175.342 176.300 -0.140 0.000 1.077 428 R CA -0.059 55.941 56.100 -0.167 0.000 1.097 428 R CB 0.996 31.183 30.300 -0.189 0.000 1.018 428 R HN 0.635 nan 8.270 nan 0.000 0.483 429 A N 2.288 125.107 122.820 -0.001 0.000 2.566 429 A HA 0.300 4.620 4.320 0.000 0.000 0.297 429 A C -1.088 176.512 177.584 0.026 0.000 1.059 429 A CA -0.887 51.183 52.037 0.055 0.000 0.691 429 A CB 1.255 20.357 19.000 0.171 0.000 1.282 429 A HN 0.597 nan 8.150 nan 0.000 0.401 430 K N 1.359 121.772 120.400 0.021 0.000 2.436 430 K HA 0.271 4.591 4.320 0.000 0.000 0.275 430 K C -2.367 174.243 176.600 0.017 0.000 0.999 430 K CA -1.202 55.093 56.287 0.013 0.000 0.980 430 K CB 0.241 32.748 32.500 0.011 0.000 0.919 430 K HN 0.336 nan 8.250 nan 0.000 0.484 431 P HA -0.053 nan 4.420 nan 0.000 0.256 431 P C -0.552 176.752 177.300 0.006 0.000 1.189 431 P CA 0.270 63.376 63.100 0.010 0.000 0.808 431 P CB 0.061 31.768 31.700 0.011 0.000 0.793 432 I N 2.808 123.376 120.570 -0.002 0.000 2.692 432 I HA 0.001 4.171 4.170 0.000 0.000 0.284 432 I C 1.347 177.453 176.117 -0.018 0.000 1.159 432 I CA 0.450 61.742 61.300 -0.013 0.000 1.423 432 I CB 0.241 38.214 38.000 -0.045 0.000 1.380 432 I HN 0.322 nan 8.210 nan 0.000 0.580 433 T N 2.291 116.842 114.554 -0.005 0.000 2.946 433 T HA 0.146 4.496 4.350 0.000 0.000 0.311 433 T C 1.192 175.880 174.700 -0.020 0.000 1.063 433 T CA -0.188 61.911 62.100 -0.002 0.000 1.139 433 T CB 1.075 69.953 68.868 0.018 0.000 0.994 433 T HN 0.801 nan 8.240 nan 0.000 0.547 434 G N 0.819 109.616 108.800 -0.006 0.000 2.441 434 G HA2 0.427 4.387 3.960 0.000 0.000 0.212 434 G HA3 0.427 4.387 3.960 0.000 0.000 0.212 434 G C 1.115 176.012 174.900 -0.005 0.000 1.164 434 G CA 0.076 45.175 45.100 -0.001 0.000 0.811 434 G HN 1.953 nan 8.290 nan 0.000 0.535 435 G N -1.198 107.605 108.800 0.005 0.000 2.168 435 G HA2 -0.151 3.809 3.960 0.000 0.000 0.197 435 G HA3 -0.151 3.809 3.960 0.000 0.000 0.197 435 G C -0.035 174.867 174.900 0.003 0.000 0.997 435 G CA -0.004 45.096 45.100 0.000 0.000 0.658 435 G HN 0.502 nan 8.290 nan 0.000 0.513 436 L N 0.598 121.834 121.223 0.021 0.000 2.386 436 L HA 0.465 4.805 4.340 0.000 0.000 0.271 436 L C 0.484 177.373 176.870 0.032 0.000 0.993 436 L CA -0.978 53.883 54.840 0.036 0.000 0.819 436 L CB 1.756 43.863 42.059 0.079 0.000 1.294 436 L HN 0.149 nan 8.230 nan 0.000 0.414 437 N N 2.594 121.311 118.700 0.028 0.000 2.317 437 N HA 0.114 4.854 4.740 0.000 0.000 0.245 437 N C -1.699 173.829 175.510 0.030 0.000 1.294 437 N CA -1.145 51.918 53.050 0.022 0.000 0.924 437 N CB 0.648 39.146 38.487 0.018 0.000 1.186 437 N HN 0.392 nan 8.380 nan 0.000 0.495 438 P HA -0.184 nan 4.420 nan 0.000 0.216 438 P C -0.104 177.214 177.300 0.030 0.000 1.154 438 P CA 1.409 64.522 63.100 0.022 0.000 0.865 438 P CB -0.005 31.704 31.700 0.014 0.000 0.789 439 D N -1.780 118.640 120.400 0.033 0.000 2.881 439 D HA 0.016 4.656 4.640 0.000 0.000 0.240 439 D C 0.023 176.360 176.300 0.062 0.000 1.249 439 D CA -0.609 53.416 54.000 0.042 0.000 0.839 439 D CB -1.299 39.522 40.800 0.034 0.000 1.042 439 D HN -0.063 nan 8.370 nan 0.000 0.475 440 N N -0.170 118.579 118.700 0.081 0.000 2.690 440 N HA -0.202 4.538 4.740 0.000 0.000 0.249 440 N C -0.371 175.192 175.510 0.089 0.000 1.125 440 N CA 1.283 54.410 53.050 0.129 0.000 0.794 440 N CB -1.472 37.141 38.487 0.211 0.000 1.152 440 N HN 0.653 nan 8.380 nan 0.000 0.571 441 S N -0.508 115.223 115.700 0.053 0.000 2.672 441 S HA 0.420 4.890 4.470 0.000 0.000 0.276 441 S C 0.234 174.840 174.600 0.011 0.000 1.207 441 S CA -0.921 57.295 58.200 0.027 0.000 1.002 441 S CB 1.479 64.692 63.200 0.022 0.000 0.998 441 S HN 0.114 nan 8.310 nan 0.000 0.542 442 N N 2.442 121.137 118.700 -0.008 0.000 2.440 442 N HA 0.034 4.774 4.740 0.000 0.000 0.265 442 N C -0.930 174.571 175.510 -0.014 0.000 1.239 442 N CA 0.343 53.377 53.050 -0.026 0.000 0.909 442 N CB 0.169 38.626 38.487 -0.050 0.000 1.066 442 N HN 0.658 nan 8.380 nan 0.000 0.474 443 D N 3.224 123.619 120.400 -0.009 0.000 2.494 443 D HA 0.165 4.805 4.640 0.000 0.000 0.217 443 D C 1.125 177.433 176.300 0.013 0.000 1.153 443 D CA -0.514 53.487 54.000 0.002 0.000 0.954 443 D CB 0.253 41.056 40.800 0.004 0.000 1.034 443 D HN 0.332 nan 8.370 nan 0.000 0.518 444 I N 2.773 123.352 120.570 0.013 0.000 2.315 444 I HA -0.208 3.962 4.170 0.000 0.000 0.248 444 I C 2.370 178.527 176.117 0.066 0.000 1.117 444 I CA 1.066 62.386 61.300 0.033 0.000 1.404 444 I CB -0.015 37.998 38.000 0.022 0.000 1.071 444 I HN 0.210 nan 8.210 nan 0.000 0.419 445 K N 0.296 120.720 120.400 0.040 0.000 2.062 445 K HA -0.012 4.308 4.320 0.000 0.000 0.205 445 K C 2.115 178.716 176.600 0.001 0.000 1.051 445 K CA 1.100 57.406 56.287 0.032 0.000 0.941 445 K CB -0.066 32.429 32.500 -0.009 0.000 0.719 445 K HN 0.262 nan 8.250 nan 0.000 0.440 446 R N 0.384 120.867 120.500 -0.028 0.000 2.290 446 R HA 0.152 4.492 4.340 0.000 0.000 0.197 446 R C 0.456 176.815 176.300 0.099 0.000 0.913 446 R CA -0.105 55.938 56.100 -0.096 0.000 1.040 446 R CB 0.202 30.439 30.300 -0.105 0.000 0.992 446 R HN 0.122 nan 8.270 nan 0.000 0.500 447 R N 0.171 120.757 120.500 0.143 0.000 3.650 447 R HA -0.239 4.101 4.340 0.000 0.000 0.550 447 R C -0.098 176.277 176.300 0.126 0.000 0.241 447 R CA 1.463 57.663 56.100 0.167 0.000 1.706 447 R CB -1.108 29.358 30.300 0.277 0.000 0.943 447 R HN 0.241 nan 8.270 nan 0.000 0.591 448 S N -0.842 114.941 115.700 0.138 0.000 2.536 448 S HA 0.399 4.869 4.470 0.000 0.000 0.287 448 S C -0.335 174.337 174.600 0.120 0.000 1.101 448 S CA -0.802 57.440 58.200 0.070 0.000 0.950 448 S CB 1.536 64.722 63.200 -0.024 0.000 1.056 448 S HN 0.485 nan 8.310 nan 0.000 0.481 449 N N 2.220 120.965 118.700 0.075 0.000 2.251 449 N HA 0.165 4.905 4.740 0.000 0.000 0.217 449 N C -0.644 174.844 175.510 -0.037 0.000 1.124 449 N CA 0.199 53.331 53.050 0.138 0.000 0.843 449 N CB 0.714 39.276 38.487 0.125 0.000 1.024 449 N HN 0.388 nan 8.380 nan 0.000 0.501 450 V N 0.753 120.523 119.914 -0.241 0.000 2.339 450 V HA 0.278 4.398 4.120 0.000 0.000 0.261 450 V C 1.578 177.365 176.094 -0.511 0.000 1.058 450 V CA -0.419 61.635 62.300 -0.409 0.000 0.897 450 V CB 0.716 32.164 31.823 -0.626 0.000 1.052 450 V HN 0.163 nan 8.190 nan 0.000 0.480 451 G N 4.047 112.611 108.800 -0.392 0.000 2.408 451 G HA2 -0.017 3.943 3.960 0.000 0.000 0.215 451 G HA3 -0.017 3.943 3.960 0.000 0.000 0.215 451 G C 0.724 175.628 174.900 0.007 0.000 1.156 451 G CA 0.656 45.525 45.100 -0.384 0.000 0.793 451 G HN 0.715 nan 8.290 nan 0.000 0.535 452 V N 0.391 120.350 119.914 0.076 0.000 2.585 452 V HA 0.451 4.571 4.120 0.000 0.000 0.296 452 V C -0.110 176.107 176.094 0.205 0.000 1.035 452 V CA -1.056 61.412 62.300 0.280 0.000 1.084 452 V CB 1.174 33.149 31.823 0.253 0.000 0.953 452 V HN -0.046 nan 8.190 nan 0.000 0.483 453 V N 6.555 126.557 119.914 0.147 0.000 2.334 453 V HA 0.404 4.524 4.120 0.000 0.000 0.281 453 V C 0.337 176.669 176.094 0.397 0.000 1.016 453 V CA -0.499 61.884 62.300 0.138 0.000 0.832 453 V CB 1.155 32.888 31.823 -0.151 0.000 0.999 453 V HN 0.840 nan 8.190 nan 0.000 0.439 454 M N 4.363 124.196 119.600 0.387 0.000 2.291 454 M HA 0.491 4.971 4.480 0.000 0.000 0.324 454 M C -0.024 176.423 176.300 0.246 0.000 1.148 454 M CA -0.176 55.306 55.300 0.304 0.000 1.104 454 M CB 1.461 34.188 32.600 0.213 0.000 1.483 454 M HN 0.429 nan 8.290 nan 0.000 0.467 455 L N 0.000 121.288 121.223 0.108 0.000 2.949 455 L HA 0.000 4.340 4.340 0.000 0.000 0.249 455 L CA 0.000 54.844 54.840 0.007 0.000 0.813 455 L CB 0.000 42.007 42.059 -0.086 0.000 0.961 455 L HN 0.000 nan 8.230 nan 0.000 0.502