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 3nvq_1_B DATA FIRST_RESID 35 DATA SEQUENCE ADEPVWRSEQ AIGAIAASQE DGVFVASGSc LDQLDYSLEH SLSRLYRDQA DATA SEQUENCE GNcTEPVSLA PPARPRPGSS FSKLLLPYRE GAAGLGGLLL TGWTFDRGAC DATA SEQUENCE EVRPLGNLSR NSLRNGTEVV ScHPQGSTAG VVYRAGRNNR WYLAVAATYV DATA SEQUENCE LPEPETASRc NPAASDHDTA IALKDTEGRS LATQELGRLK LcEGAGSLHF DATA SEQUENCE VDAFLWNGSI YFPYYPYNYT SGAATGWPSM ARIAQSTEVL FQGQASLDcG DATA SEQUENCE HGHPDGRRLL LSSSLVEALD VWAGVFSAAA GEGQERRSPT TTALcLFRMS DATA SEQUENCE EIQARAKRVS WDFKTAESHc KEGDQPERVQ PIASSTLIHS DLTSVYGTVV DATA SEQUENCE MNRTVLFLGT GDGQLLKVIL GENLTSNCPE VIYEIKEETP VFYKLVPDPV DATA SEQUENCE KNIYIYLTAG KEVRRIRVAN cNKHKScSEc LTATDPHcGW cHSLQRcTFQ DATA SEQUENCE GDcVHSENLE NWLDISSGAK KcPG 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 35 A HA 0.000 nan 4.320 nan 0.000 0.244 35 A C 0.000 177.660 177.584 0.127 0.000 1.274 35 A CA 0.000 52.134 52.037 0.162 0.000 0.836 35 A CB 0.000 19.093 19.000 0.154 0.000 0.831 36 D N 1.591 122.062 120.400 0.118 0.000 7.113 36 D HA -0.012 4.633 4.640 0.009 0.000 0.262 36 D C 0.072 176.405 176.300 0.054 0.000 1.896 36 D CA 2.295 56.368 54.000 0.122 0.000 1.782 36 D CB -0.423 40.471 40.800 0.157 0.000 0.821 36 D HN 1.062 nan 8.370 nan 0.000 0.507 37 E N -0.470 119.755 120.200 0.042 0.000 2.199 37 E HA -0.211 4.145 4.350 0.009 0.000 0.208 37 E C -1.954 174.643 176.600 -0.005 0.000 1.310 37 E CA 0.724 57.137 56.400 0.022 0.000 0.709 37 E CB -0.757 28.980 29.700 0.061 0.000 1.127 37 E HN 0.406 nan 8.360 nan 0.000 0.354 38 P HA 0.138 nan 4.420 nan 0.000 0.228 38 P C 0.035 177.334 177.300 -0.001 0.000 1.873 38 P CA -0.264 62.814 63.100 -0.038 0.000 1.033 38 P CB 0.487 32.131 31.700 -0.092 0.000 1.707 39 V N 0.936 120.857 119.914 0.013 0.000 2.901 39 V HA 0.110 4.236 4.120 0.009 0.000 0.307 39 V C -0.564 175.591 176.094 0.100 0.000 1.084 39 V CA 0.285 62.610 62.300 0.042 0.000 1.184 39 V CB 0.320 32.153 31.823 0.017 0.000 0.941 39 V HN 0.338 nan 8.190 nan 0.000 0.493 40 W N 7.100 128.365 121.300 -0.059 0.000 2.702 40 W HA 0.667 5.331 4.660 0.006 0.000 0.331 40 W C -0.233 176.256 176.519 -0.050 0.000 1.049 40 W CA -0.907 56.399 57.345 -0.065 0.000 1.230 40 W CB 1.324 30.729 29.460 -0.093 0.000 1.408 40 W HN 0.528 nan 8.180 nan 0.000 0.492 41 R N 3.138 123.015 120.500 -1.038 0.000 2.832 41 R HA 0.736 5.082 4.340 0.009 0.000 0.271 41 R C -0.941 174.511 176.300 -1.413 0.000 0.996 41 R CA -0.983 54.603 56.100 -0.857 0.000 0.977 41 R CB 2.259 32.270 30.300 -0.481 0.000 1.168 41 R HN 0.393 nan 8.270 nan 0.000 0.482 42 S N -0.235 115.016 115.700 -0.747 0.000 2.569 42 S HA 0.128 4.604 4.470 0.009 0.000 0.280 42 S C 0.438 174.914 174.600 -0.207 0.000 1.111 42 S CA -0.756 57.143 58.200 -0.502 0.000 0.887 42 S CB 1.397 64.490 63.200 -0.179 0.000 1.095 42 S HN 0.695 nan 8.310 nan 0.000 0.476 43 E N 2.099 122.237 120.200 -0.103 0.000 2.158 43 E HA 0.009 4.365 4.350 0.009 0.000 0.191 43 E C -0.071 176.535 176.600 0.010 0.000 0.982 43 E CA 0.788 57.166 56.400 -0.037 0.000 0.823 43 E CB -0.279 29.420 29.700 -0.002 0.000 0.766 43 E HN 0.595 nan 8.360 nan 0.000 0.468 44 Q N 0.354 120.180 119.800 0.043 0.000 2.297 44 Q HA 0.632 4.978 4.340 0.009 0.000 0.269 44 Q C -0.663 175.379 176.000 0.069 0.000 1.051 44 Q CA -0.508 55.344 55.803 0.081 0.000 0.869 44 Q CB 1.633 30.455 28.738 0.140 0.000 1.346 44 Q HN 0.223 nan 8.270 nan 0.000 0.457 45 A N 1.485 124.348 122.820 0.072 0.000 2.466 45 A HA 0.289 4.615 4.320 0.009 0.000 0.238 45 A C -0.319 177.287 177.584 0.036 0.000 1.074 45 A CA -0.281 51.785 52.037 0.048 0.000 0.774 45 A CB -0.014 19.022 19.000 0.059 0.000 1.015 45 A HN 0.597 nan 8.150 nan 0.000 0.498 46 I N 2.207 122.749 120.570 -0.046 0.000 2.441 46 I HA 0.197 4.373 4.170 0.009 0.000 0.287 46 I C 1.364 177.341 176.117 -0.234 0.000 1.049 46 I CA 0.646 61.857 61.300 -0.149 0.000 1.381 46 I CB 0.539 38.360 38.000 -0.299 0.000 1.409 46 I HN 0.771 nan 8.210 nan 0.000 0.523 47 G N 4.629 113.379 108.800 -0.084 0.000 2.762 47 G HA2 0.502 4.468 3.960 0.009 0.000 0.209 47 G HA3 0.502 4.468 3.960 0.009 0.000 0.209 47 G C 0.384 175.391 174.900 0.178 0.000 1.134 47 G CA 0.604 45.750 45.100 0.077 0.000 0.781 47 G HN 0.755 nan 8.290 nan 0.000 0.528 48 A N -0.602 122.215 122.820 -0.005 0.000 2.608 48 A HA 0.705 5.030 4.320 0.009 0.000 0.292 48 A C -1.979 175.592 177.584 -0.022 0.000 1.066 48 A CA -0.483 51.614 52.037 0.100 0.000 0.676 48 A CB 1.131 20.182 19.000 0.086 0.000 1.277 48 A HN 0.645 nan 8.150 nan 0.000 0.413 49 I N 0.109 120.700 120.570 0.035 0.000 2.685 49 I HA 0.683 4.859 4.170 0.009 0.000 0.289 49 I C -0.987 175.132 176.117 0.003 0.000 1.292 49 I CA -0.346 60.938 61.300 -0.027 0.000 1.050 49 I CB 1.712 39.662 38.000 -0.084 0.000 1.301 49 I HN 1.383 nan 8.210 nan 0.000 0.425 50 A N 5.845 128.670 122.820 0.007 0.000 2.381 50 A HA 0.889 5.215 4.320 0.009 0.000 0.299 50 A C -0.958 176.662 177.584 0.061 0.000 1.049 50 A CA -0.348 51.709 52.037 0.033 0.000 0.715 50 A CB 1.607 20.624 19.000 0.029 0.000 1.222 50 A HN 0.993 nan 8.150 nan 0.000 0.428 51 A N 1.911 124.759 122.820 0.047 0.000 2.252 51 A HA 0.659 4.985 4.320 0.009 0.000 0.309 51 A C 0.595 178.277 177.584 0.163 0.000 1.285 51 A CA 0.101 52.185 52.037 0.078 0.000 0.900 51 A CB 0.280 19.343 19.000 0.104 0.000 1.157 51 A HN 1.485 nan 8.150 nan 0.000 0.536 52 S N 1.779 117.612 115.700 0.221 0.000 2.614 52 S HA 0.152 4.627 4.470 0.009 0.000 0.265 52 S C 1.067 175.827 174.600 0.267 0.000 1.303 52 S CA -0.025 58.310 58.200 0.225 0.000 1.000 52 S CB 0.750 64.132 63.200 0.303 0.000 0.935 52 S HN 0.758 nan 8.310 nan 0.000 0.551 53 Q N 0.737 120.653 119.800 0.192 0.000 2.061 53 Q HA 0.046 4.392 4.340 0.009 0.000 0.195 53 Q C 1.511 177.631 176.000 0.200 0.000 0.967 53 Q CA 1.285 57.185 55.803 0.161 0.000 0.829 53 Q CB -0.002 28.792 28.738 0.094 0.000 0.900 53 Q HN 0.790 nan 8.270 nan 0.000 0.450 54 E N -0.103 120.208 120.200 0.184 0.000 2.489 54 E HA 0.093 4.448 4.350 0.009 0.000 0.204 54 E C -0.413 176.316 176.600 0.214 0.000 1.006 54 E CA 0.006 56.514 56.400 0.180 0.000 0.936 54 E CB 0.698 30.453 29.700 0.092 0.000 1.002 54 E HN 0.275 nan 8.360 nan 0.000 0.488 55 D N 0.199 120.715 120.400 0.193 0.000 2.374 55 D HA 0.253 4.898 4.640 0.009 0.000 0.239 55 D C 0.530 176.701 176.300 -0.216 0.000 0.991 55 D CA -0.475 53.557 54.000 0.052 0.000 0.960 55 D CB 1.666 42.549 40.800 0.138 0.000 1.284 55 D HN 0.009 nan 8.370 nan 0.000 0.512 56 G N -0.287 108.193 108.800 -0.535 0.000 2.492 56 G HA2 0.130 4.096 3.960 0.009 0.000 0.353 56 G HA3 0.130 4.096 3.960 0.009 0.000 0.353 56 G C -0.099 174.271 174.900 -0.883 0.000 1.297 56 G CA -0.181 44.341 45.100 -0.964 0.000 1.192 56 G HN 0.276 nan 8.290 nan 0.000 0.677 57 V N 0.340 119.706 119.914 -0.914 0.000 2.370 57 V HA 0.417 4.543 4.120 0.009 0.000 0.283 57 V C -0.694 174.964 176.094 -0.727 0.000 1.023 57 V CA -0.432 61.477 62.300 -0.651 0.000 0.857 57 V CB 0.974 32.343 31.823 -0.755 0.000 0.985 57 V HN 0.399 nan 8.190 nan 0.000 0.443 58 F N 4.054 123.818 119.950 -0.310 0.000 2.404 58 F HA 0.713 5.247 4.527 0.012 0.000 0.339 58 F C 0.171 175.821 175.800 -0.250 0.000 1.105 58 F CA -0.667 57.178 58.000 -0.258 0.000 1.087 58 F CB 1.823 40.722 39.000 -0.168 0.000 1.143 58 F HN 0.318 nan 8.300 nan 0.000 0.491 59 V N 2.389 122.235 119.914 -0.114 0.000 2.777 59 V HA 0.856 4.981 4.120 0.009 0.000 0.306 59 V C -1.376 174.699 176.094 -0.031 0.000 1.112 59 V CA -0.627 61.601 62.300 -0.120 0.000 0.917 59 V CB 1.480 33.157 31.823 -0.244 0.000 1.018 59 V HN 0.989 nan 8.190 nan 0.000 0.426 60 A N 4.569 127.408 122.820 0.032 0.000 2.292 60 A HA 0.823 5.149 4.320 0.009 0.000 0.319 60 A C 0.556 178.221 177.584 0.135 0.000 1.206 60 A CA 0.170 52.286 52.037 0.131 0.000 0.835 60 A CB 1.555 20.655 19.000 0.166 0.000 1.164 60 A HN 1.153 nan 8.150 nan 0.000 0.505 61 S N 1.852 117.668 115.700 0.193 0.000 2.612 61 S HA 0.339 4.814 4.470 0.009 0.000 0.193 61 S C 1.521 176.271 174.600 0.249 0.000 0.898 61 S CA 0.619 58.934 58.200 0.192 0.000 0.872 61 S CB -0.413 62.909 63.200 0.204 0.000 0.843 61 S HN 0.948 nan 8.310 nan 0.000 0.611 62 G N 1.297 110.272 108.800 0.291 0.000 2.754 62 G HA2 0.223 4.189 3.960 0.009 0.000 0.210 62 G HA3 0.223 4.189 3.960 0.009 0.000 0.210 62 G C 0.742 175.936 174.900 0.490 0.000 2.092 62 G CA 0.507 45.854 45.100 0.412 0.000 0.766 62 G HN 0.554 nan 8.290 nan 0.000 0.745 63 S N -0.981 114.905 115.700 0.309 0.000 2.582 63 S HA 0.398 4.874 4.470 0.009 0.000 0.234 63 S C 0.179 174.857 174.600 0.131 0.000 0.961 63 S CA -0.621 57.732 58.200 0.256 0.000 0.953 63 S CB -0.688 62.514 63.200 0.002 0.000 0.800 63 S HN 0.340 nan 8.310 nan 0.000 0.471 64 c N 0.947 119.658 118.600 0.186 0.000 2.667 64 c HA 0.849 5.425 4.570 0.009 0.000 0.323 64 c C -0.584 173.616 174.090 0.184 0.000 1.214 64 c CA -0.940 55.428 56.329 0.064 0.000 1.721 64 c CB 1.475 43.937 42.510 -0.080 0.000 2.275 64 c HN 0.612 nan 8.230 nan 0.000 0.491 65 L N 2.334 123.626 121.223 0.115 0.000 2.409 65 L HA 0.597 4.943 4.340 0.009 0.000 0.272 65 L C -1.238 175.646 176.870 0.023 0.000 0.980 65 L CA 0.320 55.255 54.840 0.157 0.000 0.826 65 L CB 1.418 43.662 42.059 0.308 0.000 1.268 65 L HN 0.624 nan 8.230 nan 0.000 0.407 66 D N 3.358 123.722 120.400 -0.059 0.000 2.256 66 D HA 0.238 4.884 4.640 0.009 0.000 0.246 66 D C -1.127 174.966 176.300 -0.345 0.000 1.042 66 D CA -0.167 53.710 54.000 -0.205 0.000 0.841 66 D CB 2.308 42.910 40.800 -0.330 0.000 1.223 66 D HN 0.553 nan 8.370 nan 0.000 0.470 67 Q N 3.414 122.973 119.800 -0.401 0.000 2.430 67 Q HA 0.329 4.674 4.340 0.009 0.000 0.245 67 Q C -1.014 174.590 176.000 -0.659 0.000 1.021 67 Q CA -0.477 54.876 55.803 -0.750 0.000 0.867 67 Q CB 0.407 28.811 28.738 -0.557 0.000 1.210 67 Q HN 0.408 nan 8.270 nan 0.000 0.487 68 L N 2.250 123.007 121.223 -0.776 0.000 2.343 68 L HA 0.386 4.732 4.340 0.009 0.000 0.275 68 L C 0.452 176.957 176.870 -0.609 0.000 1.056 68 L CA -0.901 53.538 54.840 -0.667 0.000 0.804 68 L CB 1.096 42.665 42.059 -0.816 0.000 1.203 68 L HN 0.580 nan 8.230 nan 0.000 0.440 69 D N 0.404 120.548 120.400 -0.426 0.000 2.399 69 D HA -0.048 4.597 4.640 0.009 0.000 0.241 69 D C 0.654 176.752 176.300 -0.337 0.000 1.133 69 D CA 0.166 53.958 54.000 -0.348 0.000 0.890 69 D CB 0.900 41.594 40.800 -0.176 0.000 1.201 69 D HN 0.320 nan 8.370 nan 0.000 0.432 70 Y N 0.942 121.159 120.300 -0.139 0.000 2.228 70 Y HA -0.253 4.301 4.550 0.008 0.000 0.285 70 Y C 2.566 178.447 175.900 -0.032 0.000 1.178 70 Y CA 1.613 59.682 58.100 -0.051 0.000 1.202 70 Y CB -0.465 37.994 38.460 -0.001 0.000 0.974 70 Y HN 0.357 nan 8.280 nan 0.000 0.527 71 S N -0.496 115.223 115.700 0.031 0.000 2.603 71 S HA 0.051 4.527 4.470 0.009 0.000 0.220 71 S C 0.845 175.394 174.600 -0.085 0.000 0.967 71 S CA 0.362 58.528 58.200 -0.057 0.000 0.920 71 S CB -0.769 62.381 63.200 -0.083 0.000 0.773 71 S HN 0.486 nan 8.310 nan 0.000 0.529 72 L N -0.135 121.020 121.223 -0.113 0.000 3.865 72 L HA -0.232 4.113 4.340 0.009 0.000 0.408 72 L C 1.191 178.018 176.870 -0.073 0.000 1.209 72 L CA 0.638 55.408 54.840 -0.116 0.000 0.940 72 L CB -2.052 40.008 42.059 0.001 0.000 1.971 72 L HN 0.364 nan 8.230 nan 0.000 0.899 73 E N -0.476 119.600 120.200 -0.206 0.000 2.057 73 E HA 0.145 4.500 4.350 0.009 0.000 0.191 73 E C 0.684 177.097 176.600 -0.311 0.000 0.959 73 E CA 0.911 57.103 56.400 -0.347 0.000 0.828 73 E CB 0.217 29.494 29.700 -0.706 0.000 0.800 73 E HN 0.560 nan 8.360 nan 0.000 0.460 74 H N -0.281 118.771 119.070 -0.031 0.000 2.499 74 H HA 0.280 4.839 4.556 0.005 0.000 0.340 74 H C -0.440 174.821 175.328 -0.111 0.000 1.148 74 H CA -0.498 55.529 56.048 -0.036 0.000 1.215 74 H CB 1.644 31.379 29.762 -0.045 0.000 1.529 74 H HN -0.074 nan 8.280 nan 0.000 0.510 75 S N 3.375 119.116 115.700 0.068 0.000 3.170 75 S HA 0.158 4.633 4.470 0.009 0.000 0.257 75 S C 1.547 176.112 174.600 -0.060 0.000 1.284 75 S CA -0.684 57.481 58.200 -0.058 0.000 0.973 75 S CB -0.979 62.250 63.200 0.049 0.000 1.330 75 S HN 0.495 nan 8.310 nan 0.000 0.493 76 L N 2.620 123.778 121.223 -0.109 0.000 1.976 76 L HA -0.111 4.234 4.340 0.009 0.000 0.223 76 L C 1.391 178.213 176.870 -0.079 0.000 1.081 76 L CA 1.228 56.009 54.840 -0.097 0.000 0.784 76 L CB -1.062 40.907 42.059 -0.149 0.000 0.896 76 L HN 0.701 nan 8.230 nan 0.000 0.438 77 S N -1.544 114.094 115.700 -0.104 0.000 2.632 77 S HA 0.717 5.193 4.470 0.009 0.000 0.289 77 S C -0.656 173.900 174.600 -0.073 0.000 1.115 77 S CA -0.961 57.204 58.200 -0.059 0.000 0.889 77 S CB 3.185 66.367 63.200 -0.030 0.000 1.116 77 S HN 0.253 nan 8.310 nan 0.000 0.486 78 R N 0.053 120.521 120.500 -0.054 0.000 2.698 78 R HA 0.706 5.052 4.340 0.009 0.000 0.275 78 R C -2.239 173.977 176.300 -0.139 0.000 1.001 78 R CA -0.889 55.136 56.100 -0.124 0.000 0.896 78 R CB 1.591 31.783 30.300 -0.180 0.000 1.218 78 R HN 0.685 nan 8.270 nan 0.000 0.462 79 L N 3.596 124.706 121.223 -0.189 0.000 2.325 79 L HA 0.458 4.804 4.340 0.009 0.000 0.281 79 L C -1.842 174.852 176.870 -0.294 0.000 1.004 79 L CA -0.367 54.394 54.840 -0.132 0.000 0.823 79 L CB 1.338 43.407 42.059 0.017 0.000 1.236 79 L HN 0.588 nan 8.230 nan 0.000 0.415 80 Y N 5.288 125.554 120.300 -0.056 0.000 2.504 80 Y HA 0.417 4.972 4.550 0.009 0.000 0.339 80 Y C 1.186 176.958 175.900 -0.213 0.000 0.974 80 Y CA -0.344 57.691 58.100 -0.108 0.000 1.232 80 Y CB 0.853 39.257 38.460 -0.093 0.000 1.108 80 Y HN 0.590 nan 8.280 nan 0.000 0.509 81 R N 1.200 121.555 120.500 -0.242 0.000 2.075 81 R HA -0.083 4.263 4.340 0.009 0.000 0.226 81 R C 0.809 176.760 176.300 -0.582 0.000 1.114 81 R CA 1.415 57.213 56.100 -0.504 0.000 0.972 81 R CB 0.132 29.869 30.300 -0.937 0.000 0.869 81 R HN 0.740 nan 8.270 nan 0.000 0.437 82 D N -0.383 119.632 120.400 -0.641 0.000 2.525 82 D HA 0.016 4.661 4.640 0.009 0.000 0.261 82 D C -0.145 175.930 176.300 -0.374 0.000 1.379 82 D CA 0.208 53.762 54.000 -0.743 0.000 1.074 82 D CB 0.006 40.184 40.800 -1.036 0.000 0.939 82 D HN -0.099 nan 8.370 nan 0.000 0.272 83 Q N -0.108 119.527 119.800 -0.274 0.000 2.474 83 Q HA 0.390 4.736 4.340 0.009 0.000 0.256 83 Q C 0.781 176.693 176.000 -0.147 0.000 1.048 83 Q CA 0.452 56.149 55.803 -0.177 0.000 0.922 83 Q CB 0.693 29.353 28.738 -0.131 0.000 1.288 83 Q HN 0.374 nan 8.270 nan 0.000 0.484 84 A N 1.028 123.742 122.820 -0.176 0.000 1.898 84 A HA -0.016 4.309 4.320 0.009 0.000 0.216 84 A C 1.505 178.784 177.584 -0.509 0.000 1.181 84 A CA 1.678 53.571 52.037 -0.239 0.000 0.620 84 A CB -0.477 18.405 19.000 -0.197 0.000 0.819 84 A HN 0.824 nan 8.150 nan 0.000 0.442 85 G N -1.866 106.661 108.800 -0.455 0.000 3.342 85 G HA2 0.260 4.226 3.960 0.009 0.000 0.252 85 G HA3 0.260 4.226 3.960 0.009 0.000 0.252 85 G C -0.151 174.602 174.900 -0.244 0.000 1.011 85 G CA -0.207 44.495 45.100 -0.662 0.000 0.869 85 G HN 0.340 nan 8.290 nan 0.000 0.514 86 N N -0.303 118.351 118.700 -0.076 0.000 2.455 86 N HA 0.394 5.140 4.740 0.009 0.000 0.280 86 N C 0.477 176.077 175.510 0.150 0.000 1.055 86 N CA -0.293 52.783 53.050 0.043 0.000 0.961 86 N CB 1.627 40.106 38.487 -0.013 0.000 1.121 86 N HN -0.043 nan 8.380 nan 0.000 0.476 87 c N 0.447 119.149 118.600 0.170 0.000 3.038 87 c HA 0.212 4.788 4.570 0.009 0.000 0.279 87 c C 0.449 174.613 174.090 0.123 0.000 1.276 87 c CA -0.116 56.306 56.329 0.155 0.000 1.697 87 c CB -0.911 41.691 42.510 0.153 0.000 2.032 87 c HN 0.649 nan 8.230 nan 0.000 0.636 88 T N 2.572 117.183 114.554 0.095 0.000 2.946 88 T HA 0.014 4.370 4.350 0.009 0.000 0.311 88 T C 0.131 174.890 174.700 0.098 0.000 1.063 88 T CA 0.536 62.693 62.100 0.094 0.000 1.139 88 T CB 0.252 69.159 68.868 0.064 0.000 0.994 88 T HN 0.498 nan 8.240 nan 0.000 0.547 89 E N 4.147 124.454 120.200 0.178 0.000 2.383 89 E HA 0.027 4.383 4.350 0.009 0.000 0.257 89 E C -1.542 175.140 176.600 0.137 0.000 1.079 89 E CA -1.411 55.155 56.400 0.278 0.000 0.934 89 E CB 0.332 30.321 29.700 0.482 0.000 0.978 89 E HN 0.413 nan 8.360 nan 0.000 0.462 90 P HA -0.142 nan 4.420 nan 0.000 0.219 90 P C -0.248 177.114 177.300 0.103 0.000 1.146 90 P CA 0.967 64.055 63.100 -0.020 0.000 0.808 90 P CB 0.335 31.961 31.700 -0.123 0.000 0.779 91 V N -1.751 118.319 119.914 0.259 0.000 2.925 91 V HA 0.258 4.384 4.120 0.009 0.000 0.311 91 V C -0.081 176.200 176.094 0.312 0.000 1.104 91 V CA -0.760 61.711 62.300 0.284 0.000 0.954 91 V CB 2.266 34.280 31.823 0.319 0.000 1.022 91 V HN -0.267 nan 8.190 nan 0.000 0.427 92 S N 5.125 120.940 115.700 0.193 0.000 2.465 92 S HA 0.535 5.011 4.470 0.009 0.000 0.279 92 S C -0.525 174.144 174.600 0.115 0.000 1.201 92 S CA -0.490 57.800 58.200 0.149 0.000 1.053 92 S CB 0.280 63.545 63.200 0.107 0.000 0.953 92 S HN 0.402 nan 8.310 nan 0.000 0.488 93 L N 3.038 124.311 121.223 0.084 0.000 2.265 93 L HA 0.543 4.888 4.340 0.009 0.000 0.289 93 L C 0.389 177.286 176.870 0.045 0.000 1.033 93 L CA -0.688 54.173 54.840 0.035 0.000 0.814 93 L CB 0.132 42.162 42.059 -0.047 0.000 1.203 93 L HN 0.673 nan 8.230 nan 0.000 0.423 94 A N 5.864 128.715 122.820 0.050 0.000 2.316 94 A HA 0.658 4.984 4.320 0.009 0.000 0.311 94 A C -2.037 175.577 177.584 0.051 0.000 1.339 94 A CA -1.119 50.949 52.037 0.052 0.000 0.960 94 A CB -0.315 18.716 19.000 0.053 0.000 1.152 94 A HN 0.553 nan 8.150 nan 0.000 0.547 95 P HA 0.247 nan 4.420 nan 0.000 0.264 95 P C -1.994 175.337 177.300 0.050 0.000 1.229 95 P CA -0.283 62.847 63.100 0.050 0.000 0.780 95 P CB 0.253 31.986 31.700 0.054 0.000 0.808 96 P HA 0.237 nan 4.420 nan 0.000 0.329 96 P C -0.424 176.902 177.300 0.044 0.000 1.319 96 P CA -0.594 62.538 63.100 0.053 0.000 0.742 96 P CB 0.213 31.954 31.700 0.070 0.000 1.564 97 A N -0.238 122.608 122.820 0.043 0.000 2.547 97 A HA -0.035 4.291 4.320 0.009 0.000 0.233 97 A C 1.459 179.057 177.584 0.023 0.000 1.067 97 A CA 0.271 52.328 52.037 0.034 0.000 0.763 97 A CB -0.269 18.751 19.000 0.034 0.000 1.007 97 A HN 0.413 nan 8.150 nan 0.000 0.506 98 R N 1.004 121.516 120.500 0.021 0.000 2.115 98 R HA -0.088 4.257 4.340 0.009 0.000 0.230 98 R C -0.831 175.459 176.300 -0.016 0.000 1.111 98 R CA 1.751 57.858 56.100 0.012 0.000 0.976 98 R CB -1.055 29.260 30.300 0.025 0.000 0.870 98 R HN 0.616 nan 8.270 nan 0.000 0.445 99 P HA -0.108 nan 4.420 nan 0.000 0.217 99 P C -0.202 177.048 177.300 -0.083 0.000 1.150 99 P CA 1.017 64.085 63.100 -0.054 0.000 0.832 99 P CB 0.096 31.773 31.700 -0.039 0.000 0.787 100 R N 1.065 121.544 120.500 -0.036 0.000 2.570 100 R HA 0.107 4.452 4.340 0.009 0.000 0.277 100 R C -1.936 174.283 176.300 -0.134 0.000 1.039 100 R CA -1.229 54.844 56.100 -0.045 0.000 1.065 100 R CB -0.616 29.724 30.300 0.066 0.000 0.964 100 R HN 0.205 nan 8.270 nan 0.000 0.428 101 P HA 0.035 nan 4.420 nan 0.000 0.272 101 P C -0.227 177.010 177.300 -0.105 0.000 1.223 101 P CA -0.175 62.747 63.100 -0.295 0.000 0.784 101 P CB 0.896 32.220 31.700 -0.626 0.000 0.923 102 G N 0.885 109.651 108.800 -0.057 0.000 2.552 102 G HA2 0.475 4.440 3.960 0.009 0.000 0.318 102 G HA3 0.475 4.440 3.960 0.009 0.000 0.318 102 G C -0.599 174.321 174.900 0.033 0.000 1.240 102 G CA -0.506 44.603 45.100 0.014 0.000 1.002 102 G HN 0.490 nan 8.290 nan 0.000 0.493 103 S N -1.299 114.410 115.700 0.014 0.000 2.690 103 S HA 0.794 5.270 4.470 0.009 0.000 0.291 103 S C -0.056 174.482 174.600 -0.105 0.000 1.138 103 S CA -0.414 57.760 58.200 -0.043 0.000 1.013 103 S CB 1.581 64.733 63.200 -0.080 0.000 1.053 103 S HN 1.017 nan 8.310 nan 0.000 0.539 104 S N -0.470 115.102 115.700 -0.212 0.000 2.597 104 S HA 0.488 4.963 4.470 0.009 0.000 0.274 104 S C -0.987 173.416 174.600 -0.329 0.000 1.132 104 S CA -0.574 57.475 58.200 -0.250 0.000 0.835 104 S CB -0.006 63.189 63.200 -0.008 0.000 1.092 104 S HN 0.394 nan 8.310 nan 0.000 0.457 105 F N 1.714 121.702 119.950 0.064 0.000 2.530 105 F HA 0.398 4.930 4.527 0.009 0.000 0.292 105 F C 1.791 177.623 175.800 0.053 0.000 1.109 105 F CA 0.504 58.496 58.000 -0.013 0.000 1.450 105 F CB -0.152 38.860 39.000 0.020 0.000 1.114 105 F HN 0.513 nan 8.300 nan 0.000 0.560 106 S N 0.245 116.050 115.700 0.176 0.000 2.584 106 S HA 0.280 4.755 4.470 0.009 0.000 0.273 106 S C 0.991 175.479 174.600 -0.186 0.000 1.311 106 S CA -0.390 57.655 58.200 -0.258 0.000 1.034 106 S CB 0.799 63.890 63.200 -0.182 0.000 0.939 106 S HN 0.044 nan 8.310 nan 0.000 0.513 107 K N 1.943 122.167 120.400 -0.294 0.000 2.504 107 K HA 0.371 4.697 4.320 0.009 0.000 0.203 107 K C -0.941 175.586 176.600 -0.123 0.000 1.350 107 K CA 0.105 56.308 56.287 -0.140 0.000 0.953 107 K CB 0.153 32.587 32.500 -0.111 0.000 1.243 107 K HN 0.477 nan 8.250 nan 0.000 0.534 108 L N 0.910 122.001 121.223 -0.220 0.000 2.455 108 L HA 0.466 4.812 4.340 0.009 0.000 0.264 108 L C -1.743 174.992 176.870 -0.225 0.000 0.968 108 L CA -0.694 54.053 54.840 -0.155 0.000 0.827 108 L CB 2.087 44.079 42.059 -0.111 0.000 1.317 108 L HN -0.095 nan 8.230 nan 0.000 0.407 109 L N 5.276 126.420 121.223 -0.131 0.000 2.534 109 L HA 0.553 4.898 4.340 0.009 0.000 0.259 109 L C -1.802 175.022 176.870 -0.075 0.000 1.108 109 L CA 0.120 54.878 54.840 -0.138 0.000 0.905 109 L CB 0.888 42.885 42.059 -0.104 0.000 1.138 109 L HN 0.413 nan 8.230 nan 0.000 0.475 110 L N 6.399 127.583 121.223 -0.066 0.000 2.353 110 L HA 0.571 4.916 4.340 0.009 0.000 0.270 110 L C -2.342 174.554 176.870 0.042 0.000 1.003 110 L CA -1.466 53.373 54.840 -0.003 0.000 0.862 110 L CB 1.816 43.882 42.059 0.012 0.000 1.221 110 L HN 0.331 nan 8.230 nan 0.000 0.430 111 P HA 0.319 nan 4.420 nan 0.000 0.282 111 P C -1.552 175.812 177.300 0.107 0.000 1.249 111 P CA -0.113 62.966 63.100 -0.034 0.000 0.806 111 P CB 1.256 32.890 31.700 -0.109 0.000 0.984 112 Y N -1.156 119.020 120.300 -0.206 0.000 2.764 112 Y HA 0.550 5.105 4.550 0.010 0.000 0.331 112 Y C 0.361 176.002 175.900 -0.432 0.000 1.280 112 Y CA -1.464 56.473 58.100 -0.273 0.000 1.065 112 Y CB 0.637 38.895 38.460 -0.337 0.000 1.319 112 Y HN 0.284 nan 8.280 nan 0.000 0.453 113 R N 1.173 121.308 120.500 -0.607 0.000 3.422 113 R HA -0.187 4.159 4.340 0.009 0.000 0.267 113 R C -0.050 176.072 176.300 -0.297 0.000 1.074 113 R CA 1.121 56.858 56.100 -0.605 0.000 0.718 113 R CB -1.197 28.461 30.300 -1.071 0.000 1.157 113 R HN 1.119 nan 8.270 nan 0.000 0.440 114 E N -1.076 119.048 120.200 -0.126 0.000 2.030 114 E HA -0.016 4.340 4.350 0.009 0.000 0.189 114 E C 1.207 177.802 176.600 -0.009 0.000 0.974 114 E CA 1.041 57.402 56.400 -0.064 0.000 0.807 114 E CB -0.024 29.670 29.700 -0.009 0.000 0.771 114 E HN 0.443 nan 8.360 nan 0.000 0.451 115 G N 0.361 109.186 108.800 0.042 0.000 2.985 115 G HA2 0.291 4.256 3.960 0.009 0.000 0.282 115 G HA3 0.291 4.256 3.960 0.009 0.000 0.282 115 G C 0.390 175.326 174.900 0.060 0.000 0.791 115 G CA 0.402 45.532 45.100 0.051 0.000 1.934 115 G HN 0.216 nan 8.290 nan 0.000 0.563 116 A N 1.832 124.673 122.820 0.035 0.000 1.993 116 A HA 0.715 5.041 4.320 0.009 0.000 0.207 116 A C 1.665 179.268 177.584 0.031 0.000 1.224 116 A CA 1.142 53.205 52.037 0.044 0.000 0.749 116 A CB -0.147 18.865 19.000 0.020 0.000 0.884 116 A HN 2.232 nan 8.150 nan 0.000 0.467 117 A N -1.732 121.098 122.820 0.017 0.000 1.888 117 A HA 0.381 4.707 4.320 0.009 0.000 0.243 117 A C 1.553 179.144 177.584 0.011 0.000 1.351 117 A CA 1.414 53.459 52.037 0.015 0.000 0.702 117 A CB -1.474 17.538 19.000 0.020 0.000 1.185 117 A HN 2.551 nan 8.150 nan 0.000 0.265 118 G N -0.222 108.580 108.800 0.003 0.000 2.541 118 G HA2 -0.003 3.963 3.960 0.009 0.000 0.201 118 G HA3 -0.003 3.963 3.960 0.009 0.000 0.201 118 G C 0.095 174.991 174.900 -0.007 0.000 1.026 118 G CA -0.016 45.084 45.100 0.001 0.000 0.687 118 G HN 1.530 nan 8.290 nan 0.000 0.492 119 L N 1.757 122.972 121.223 -0.012 0.000 2.329 119 L HA 0.687 5.033 4.340 0.009 0.000 0.279 119 L C 1.281 178.117 176.870 -0.056 0.000 1.014 119 L CA -0.590 54.231 54.840 -0.032 0.000 0.814 119 L CB 1.813 43.855 42.059 -0.028 0.000 1.257 119 L HN 0.316 nan 8.230 nan 0.000 0.424 120 G N 1.326 110.082 108.800 -0.074 0.000 2.683 120 G HA2 0.401 4.366 3.960 0.009 0.000 0.260 120 G HA3 0.401 4.366 3.960 0.009 0.000 0.260 120 G C 0.138 174.944 174.900 -0.157 0.000 1.238 120 G CA -0.024 45.021 45.100 -0.092 0.000 0.934 120 G HN 0.717 nan 8.290 nan 0.000 0.534 121 G N -1.652 107.046 108.800 -0.170 0.000 2.504 121 G HA2 0.544 4.510 3.960 0.009 0.000 0.288 121 G HA3 0.544 4.510 3.960 0.009 0.000 0.288 121 G C -0.598 174.079 174.900 -0.371 0.000 1.182 121 G CA -0.663 44.276 45.100 -0.269 0.000 0.894 121 G HN 0.535 nan 8.290 nan 0.000 0.521 122 L N -0.442 120.414 121.223 -0.612 0.000 2.323 122 L HA 0.654 5.000 4.340 0.009 0.000 0.265 122 L C -0.966 175.587 176.870 -0.529 0.000 1.012 122 L CA -0.995 53.436 54.840 -0.682 0.000 0.820 122 L CB 2.321 43.677 42.059 -1.171 0.000 1.334 122 L HN 0.395 nan 8.230 nan 0.000 0.427 123 L N 2.094 123.151 121.223 -0.277 0.000 2.436 123 L HA 0.539 4.885 4.340 0.009 0.000 0.268 123 L C -1.368 175.497 176.870 -0.008 0.000 0.974 123 L CA -0.092 54.651 54.840 -0.161 0.000 0.826 123 L CB 1.868 43.718 42.059 -0.349 0.000 1.291 123 L HN 0.383 nan 8.230 nan 0.000 0.406 124 L N 4.244 125.492 121.223 0.041 0.000 2.264 124 L HA 0.575 4.921 4.340 0.009 0.000 0.289 124 L C -0.198 176.622 176.870 -0.082 0.000 1.044 124 L CA -0.443 54.405 54.840 0.014 0.000 0.807 124 L CB 1.538 43.592 42.059 -0.008 0.000 1.192 124 L HN 0.745 nan 8.230 nan 0.000 0.425 125 T N -0.355 114.157 114.554 -0.070 0.000 2.815 125 T HA 0.661 5.016 4.350 0.009 0.000 0.289 125 T C -0.083 174.452 174.700 -0.275 0.000 1.000 125 T CA -0.678 61.259 62.100 -0.271 0.000 0.958 125 T CB 1.600 70.418 68.868 -0.084 0.000 0.944 125 T HN 0.640 nan 8.240 nan 0.000 0.442 126 G N 2.609 111.124 108.800 -0.476 0.000 2.416 126 G HA2 0.653 4.619 3.960 0.009 0.000 0.329 126 G HA3 0.653 4.619 3.960 0.009 0.000 0.329 126 G C -1.266 173.387 174.900 -0.412 0.000 1.173 126 G CA -0.854 44.110 45.100 -0.226 0.000 0.929 126 G HN 0.650 nan 8.290 nan 0.000 0.475 127 W N 0.024 121.339 121.300 0.025 0.000 3.047 127 W HA 0.245 4.910 4.660 0.009 0.000 0.341 127 W C 1.337 177.777 176.519 -0.131 0.000 1.225 127 W CA -0.156 57.149 57.345 -0.067 0.000 1.150 127 W CB 1.678 31.112 29.460 -0.044 0.000 1.470 127 W HN 0.710 nan 8.180 nan 0.000 0.578 128 T N -2.183 112.357 114.554 -0.024 0.000 2.904 128 T HA -0.059 4.296 4.350 0.009 0.000 0.267 128 T C 0.832 175.517 174.700 -0.025 0.000 1.059 128 T CA 0.653 62.710 62.100 -0.070 0.000 1.137 128 T CB -0.377 68.449 68.868 -0.070 0.000 0.879 128 T HN 0.051 nan 8.240 nan 0.000 0.467 129 F N 3.050 123.125 119.950 0.207 0.000 2.657 129 F HA 0.200 4.733 4.527 0.009 0.000 0.347 129 F C 0.909 176.755 175.800 0.077 0.000 1.180 129 F CA -0.425 57.625 58.000 0.082 0.000 1.383 129 F CB -0.496 38.494 39.000 -0.016 0.000 1.077 129 F HN 0.197 nan 8.300 nan 0.000 0.622 130 D N 1.162 121.709 120.400 0.244 0.000 2.697 130 D HA -0.275 4.371 4.640 0.009 0.000 0.235 130 D C 0.209 176.575 176.300 0.110 0.000 1.167 130 D CA 0.917 55.001 54.000 0.139 0.000 0.656 130 D CB -0.961 39.913 40.800 0.123 0.000 1.025 130 D HN 0.722 nan 8.370 nan 0.000 0.419 131 R N -1.666 118.885 120.500 0.085 0.000 3.267 131 R HA -0.106 4.239 4.340 0.009 0.000 0.254 131 R C 0.996 177.335 176.300 0.066 0.000 0.993 131 R CA 0.693 56.823 56.100 0.050 0.000 0.670 131 R CB -2.298 28.028 30.300 0.044 0.000 1.125 131 R HN 0.784 nan 8.270 nan 0.000 0.434 132 G N -0.895 107.948 108.800 0.073 0.000 2.338 132 G HA2 -0.197 3.769 3.960 0.009 0.000 0.296 132 G HA3 -0.197 3.769 3.960 0.009 0.000 0.296 132 G C 0.352 175.330 174.900 0.131 0.000 1.040 132 G CA 0.316 45.472 45.100 0.093 0.000 1.004 132 G HN 0.896 nan 8.290 nan 0.000 0.509 133 A N -1.058 121.861 122.820 0.166 0.000 2.346 133 A HA 0.726 5.052 4.320 0.009 0.000 0.252 133 A C 0.775 178.486 177.584 0.212 0.000 1.089 133 A CA 0.403 52.545 52.037 0.175 0.000 0.797 133 A CB 1.191 20.300 19.000 0.183 0.000 1.047 133 A HN 2.029 nan 8.150 nan 0.000 0.494 134 C N 1.775 121.180 119.300 0.175 0.000 2.701 134 C HA 0.708 5.174 4.460 0.009 0.000 0.336 134 C C -1.120 173.960 174.990 0.150 0.000 1.123 134 C CA -0.620 58.496 59.018 0.163 0.000 1.326 134 C CB 0.934 28.726 27.740 0.087 0.000 1.833 134 C HN 0.975 nan 8.230 nan 0.000 0.473 135 E N 3.954 124.261 120.200 0.178 0.000 2.320 135 E HA 0.650 5.005 4.350 0.009 0.000 0.264 135 E C -1.318 175.343 176.600 0.102 0.000 0.923 135 E CA -0.666 55.815 56.400 0.135 0.000 0.796 135 E CB 1.619 31.410 29.700 0.151 0.000 1.262 135 E HN 0.436 nan 8.360 nan 0.000 0.428 136 V N 1.814 121.774 119.914 0.077 0.000 2.350 136 V HA 0.411 4.537 4.120 0.009 0.000 0.276 136 V C 0.175 176.286 176.094 0.028 0.000 1.028 136 V CA -0.507 61.831 62.300 0.064 0.000 0.860 136 V CB 0.514 32.376 31.823 0.065 0.000 0.990 136 V HN 0.481 nan 8.190 nan 0.000 0.453 137 R N 5.612 126.110 120.500 -0.002 0.000 2.892 137 R HA 0.571 4.917 4.340 0.009 0.000 0.265 137 R C -2.742 173.501 176.300 -0.096 0.000 1.025 137 R CA -2.035 54.048 56.100 -0.029 0.000 0.982 137 R CB 2.162 32.458 30.300 -0.006 0.000 1.185 137 R HN 0.411 nan 8.270 nan 0.000 0.484 138 P HA 0.029 nan 4.420 nan 0.000 0.276 138 P C -0.527 176.695 177.300 -0.129 0.000 1.230 138 P CA -0.115 62.917 63.100 -0.114 0.000 0.776 138 P CB 0.815 32.474 31.700 -0.069 0.000 0.888 139 L N 3.174 124.293 121.223 -0.174 0.000 2.454 139 L HA 0.349 4.695 4.340 0.009 0.000 0.284 139 L C 0.923 177.784 176.870 -0.016 0.000 1.139 139 L CA 0.799 55.537 54.840 -0.170 0.000 0.911 139 L CB -0.967 40.971 42.059 -0.201 0.000 1.262 139 L HN 0.776 nan 8.230 nan 0.000 0.453 140 G N 3.174 112.025 108.800 0.085 0.000 2.520 140 G HA2 -0.145 3.820 3.960 0.009 0.000 0.067 140 G HA3 -0.145 3.820 3.960 0.009 0.000 0.067 140 G C -0.799 174.178 174.900 0.129 0.000 0.977 140 G CA -0.788 44.392 45.100 0.133 0.000 1.152 140 G HN 0.438 nan 8.290 nan 0.000 0.479 141 N N 1.041 119.772 118.700 0.053 0.000 2.374 141 N HA 0.223 4.969 4.740 0.009 0.000 0.269 141 N C 1.117 176.659 175.510 0.052 0.000 1.310 141 N CA -0.141 52.930 53.050 0.036 0.000 0.877 141 N CB 0.737 39.231 38.487 0.012 0.000 1.096 141 N HN 0.304 nan 8.380 nan 0.000 0.484 142 L N 1.809 123.072 121.223 0.067 0.000 2.610 142 L HA 0.039 4.384 4.340 0.009 0.000 0.232 142 L C 1.506 178.402 176.870 0.044 0.000 1.149 142 L CA 1.020 55.904 54.840 0.073 0.000 0.872 142 L CB -0.342 41.767 42.059 0.084 0.000 0.992 142 L HN 0.530 nan 8.230 nan 0.000 0.447 143 S N -1.568 114.151 115.700 0.032 0.000 2.548 143 S HA 0.179 4.654 4.470 0.009 0.000 0.215 143 S C 1.022 175.633 174.600 0.020 0.000 0.976 143 S CA -0.166 58.051 58.200 0.028 0.000 0.908 143 S CB 0.078 63.292 63.200 0.024 0.000 0.781 143 S HN 0.329 nan 8.310 nan 0.000 0.519 144 R N 2.324 122.834 120.500 0.017 0.000 2.637 144 R HA 0.233 4.579 4.340 0.009 0.000 0.269 144 R C -0.151 176.155 176.300 0.010 0.000 1.089 144 R CA -0.267 55.838 56.100 0.008 0.000 1.177 144 R CB 0.228 30.529 30.300 0.001 0.000 1.091 144 R HN 0.250 nan 8.270 nan 0.000 0.540 145 N N 0.357 119.060 118.700 0.004 0.000 2.513 145 N HA 0.045 4.791 4.740 0.009 0.000 0.274 145 N C -0.219 175.296 175.510 0.007 0.000 1.189 145 N CA -0.103 52.951 53.050 0.006 0.000 0.975 145 N CB 1.166 39.654 38.487 0.001 0.000 1.157 145 N HN 0.528 nan 8.380 nan 0.000 0.465 146 S N 0.315 116.025 115.700 0.016 0.000 2.593 146 S HA 0.244 4.720 4.470 0.009 0.000 0.269 146 S C 1.513 176.120 174.600 0.012 0.000 1.334 146 S CA -0.630 57.583 58.200 0.022 0.000 1.015 146 S CB 0.726 63.952 63.200 0.044 0.000 0.912 146 S HN 0.446 nan 8.310 nan 0.000 0.541 147 L N 0.204 121.432 121.223 0.008 0.000 2.121 147 L HA 0.271 4.616 4.340 0.009 0.000 0.200 147 L C 1.336 178.214 176.870 0.013 0.000 1.077 147 L CA 0.752 55.593 54.840 0.003 0.000 0.766 147 L CB -0.259 41.795 42.059 -0.009 0.000 0.931 147 L HN 0.589 nan 8.230 nan 0.000 0.452 148 R N -0.037 120.477 120.500 0.024 0.000 2.867 148 R HA 0.437 4.782 4.340 0.009 0.000 0.268 148 R C -1.319 175.008 176.300 0.045 0.000 1.014 148 R CA -0.605 55.513 56.100 0.030 0.000 0.946 148 R CB 1.979 32.295 30.300 0.027 0.000 1.208 148 R HN 0.235 nan 8.270 nan 0.000 0.477 149 N N -1.337 117.391 118.700 0.047 0.000 2.859 149 N HA 0.586 5.331 4.740 0.009 0.000 0.250 149 N C -1.558 173.985 175.510 0.056 0.000 1.341 149 N CA -0.842 52.246 53.050 0.063 0.000 0.881 149 N CB 2.105 40.636 38.487 0.073 0.000 1.516 149 N HN 0.663 nan 8.380 nan 0.000 0.503 150 G N -0.719 108.121 108.800 0.067 0.000 2.718 150 G HA2 0.621 4.587 3.960 0.009 0.000 0.295 150 G HA3 0.621 4.587 3.960 0.009 0.000 0.295 150 G C -0.980 173.961 174.900 0.068 0.000 1.421 150 G CA -0.460 44.673 45.100 0.056 0.000 0.902 150 G HN 0.887 nan 8.290 nan 0.000 0.501 151 T N -1.868 112.720 114.554 0.055 0.000 2.912 151 T HA 0.593 4.948 4.350 0.009 0.000 0.280 151 T C 0.354 175.082 174.700 0.048 0.000 0.989 151 T CA -0.055 62.082 62.100 0.062 0.000 0.995 151 T CB 1.411 70.310 68.868 0.051 0.000 1.077 151 T HN 0.828 nan 8.240 nan 0.000 0.531 152 E N -0.995 119.240 120.200 0.057 0.000 2.476 152 E HA -0.173 4.182 4.350 0.009 0.000 0.251 152 E C 0.556 177.186 176.600 0.050 0.000 1.130 152 E CA 0.230 56.651 56.400 0.034 0.000 0.736 152 E CB -1.787 27.885 29.700 -0.046 0.000 1.298 152 E HN 0.485 nan 8.360 nan 0.000 0.400 153 V N -0.859 119.130 119.914 0.125 0.000 2.672 153 V HA 0.001 4.126 4.120 0.009 0.000 0.242 153 V C 1.125 177.375 176.094 0.260 0.000 1.059 153 V CA 1.318 63.703 62.300 0.141 0.000 1.081 153 V CB 0.747 32.629 31.823 0.097 0.000 0.752 153 V HN 0.341 nan 8.190 nan 0.000 0.472 154 V N -2.987 117.057 119.914 0.218 0.000 3.182 154 V HA 0.657 4.782 4.120 0.009 0.000 0.311 154 V C 0.100 176.233 176.094 0.065 0.000 1.221 154 V CA -0.745 61.612 62.300 0.096 0.000 1.060 154 V CB 1.534 33.358 31.823 0.001 0.000 1.164 154 V HN 0.081 nan 8.190 nan 0.000 0.466 155 S N -0.455 115.158 115.700 -0.145 0.000 2.562 155 S HA 0.115 4.591 4.470 0.009 0.000 0.281 155 S C 0.950 175.515 174.600 -0.058 0.000 1.333 155 S CA 0.017 58.146 58.200 -0.118 0.000 1.052 155 S CB 0.255 63.366 63.200 -0.148 0.000 0.884 155 S HN 1.661 nan 8.310 nan 0.000 0.506 156 c N 4.765 123.279 118.600 -0.143 0.000 2.791 156 c HA 0.466 5.042 4.570 0.009 0.000 0.270 156 c C 0.456 174.340 174.090 -0.342 0.000 1.257 156 c CA -0.752 55.442 56.329 -0.225 0.000 1.699 156 c CB -1.534 40.827 42.510 -0.247 0.000 1.904 156 c HN 0.799 nan 8.230 nan 0.000 0.603 157 H N 1.591 120.645 119.070 -0.028 0.000 2.488 157 H HA 0.252 4.814 4.556 0.009 0.000 0.322 157 H C -1.898 173.392 175.328 -0.062 0.000 1.078 157 H CA -1.660 54.359 56.048 -0.048 0.000 1.260 157 H CB 1.217 30.909 29.762 -0.116 0.000 1.425 157 H HN 0.053 nan 8.280 nan 0.000 0.471 158 P HA -0.204 nan 4.420 nan 0.000 0.216 158 P C 1.496 178.773 177.300 -0.037 0.000 1.153 158 P CA 1.613 64.679 63.100 -0.057 0.000 0.858 158 P CB 0.283 31.917 31.700 -0.110 0.000 0.789 159 Q N -0.721 119.083 119.800 0.008 0.000 2.451 159 Q HA 0.096 4.442 4.340 0.009 0.000 0.206 159 Q C 0.906 176.918 176.000 0.020 0.000 0.947 159 Q CA 0.367 56.198 55.803 0.046 0.000 0.937 159 Q CB -0.467 28.320 28.738 0.082 0.000 1.025 159 Q HN 0.018 nan 8.270 nan 0.000 0.511 160 G N 1.854 110.608 108.800 -0.078 0.000 2.390 160 G HA2 0.292 4.258 3.960 0.009 0.000 0.270 160 G HA3 0.292 4.258 3.960 0.009 0.000 0.270 160 G C -0.152 174.717 174.900 -0.052 0.000 1.211 160 G CA -0.078 44.927 45.100 -0.159 0.000 0.842 160 G HN 0.338 nan 8.290 nan 0.000 0.519 161 S N 1.018 116.680 115.700 -0.062 0.000 2.580 161 S HA 0.583 5.058 4.470 0.009 0.000 0.266 161 S C 0.099 174.604 174.600 -0.157 0.000 1.354 161 S CA 0.013 58.077 58.200 -0.226 0.000 1.008 161 S CB 1.138 63.947 63.200 -0.652 0.000 0.898 161 S HN 0.718 nan 8.310 nan 0.000 0.555 162 T N 0.972 115.459 114.554 -0.111 0.000 3.579 162 T HA 0.636 4.992 4.350 0.009 0.000 0.360 162 T C -1.158 173.542 174.700 -0.001 0.000 1.285 162 T CA -0.143 61.894 62.100 -0.106 0.000 1.127 162 T CB 1.130 69.932 68.868 -0.110 0.000 1.244 162 T HN 1.341 nan 8.240 nan 0.000 0.476 163 A N 1.818 124.656 122.820 0.030 0.000 2.488 163 A HA 1.000 5.325 4.320 0.009 0.000 0.298 163 A C -0.267 177.406 177.584 0.148 0.000 1.044 163 A CA -0.353 51.764 52.037 0.133 0.000 0.693 163 A CB 1.827 20.971 19.000 0.240 0.000 1.272 163 A HN 1.255 nan 8.150 nan 0.000 0.402 164 G N -0.798 108.086 108.800 0.140 0.000 2.684 164 G HA2 0.793 4.758 3.960 0.009 0.000 0.290 164 G HA3 0.793 4.758 3.960 0.009 0.000 0.290 164 G C -1.669 173.304 174.900 0.122 0.000 1.425 164 G CA -0.147 45.045 45.100 0.154 0.000 0.822 164 G HN 1.986 nan 8.290 nan 0.000 0.482 165 V N -0.365 119.629 119.914 0.134 0.000 3.048 165 V HA 0.707 4.832 4.120 0.009 0.000 0.303 165 V C -1.051 175.174 176.094 0.220 0.000 1.214 165 V CA -0.547 61.835 62.300 0.137 0.000 0.984 165 V CB 1.959 33.835 31.823 0.088 0.000 1.054 165 V HN 0.791 nan 8.190 nan 0.000 0.430 166 V N 6.527 126.565 119.914 0.207 0.000 2.716 166 V HA 0.776 4.902 4.120 0.009 0.000 0.304 166 V C -0.425 175.933 176.094 0.440 0.000 1.053 166 V CA 0.028 62.466 62.300 0.229 0.000 0.984 166 V CB 1.401 33.195 31.823 -0.048 0.000 1.021 166 V HN 1.189 nan 8.190 nan 0.000 0.467 167 Y N 1.148 121.571 120.300 0.204 0.000 2.779 167 Y HA 0.776 5.331 4.550 0.009 0.000 0.340 167 Y C -0.994 174.902 175.900 -0.006 0.000 1.252 167 Y CA -1.666 56.498 58.100 0.108 0.000 1.072 167 Y CB 1.316 39.818 38.460 0.071 0.000 1.343 167 Y HN 0.421 nan 8.280 nan 0.000 0.450 168 R N 1.380 121.720 120.500 -0.267 0.000 2.670 168 R HA 0.945 5.291 4.340 0.009 0.000 0.289 168 R C -1.223 175.009 176.300 -0.114 0.000 0.965 168 R CA -0.866 54.977 56.100 -0.428 0.000 0.899 168 R CB 2.194 32.074 30.300 -0.699 0.000 1.173 168 R HN 0.993 nan 8.270 nan 0.000 0.456 169 A N 0.902 123.714 122.820 -0.013 0.000 2.588 169 A HA 0.874 5.200 4.320 0.009 0.000 0.290 169 A C -0.520 177.139 177.584 0.124 0.000 1.136 169 A CA -0.350 51.744 52.037 0.095 0.000 0.681 169 A CB 1.546 20.630 19.000 0.139 0.000 1.282 169 A HN 0.951 nan 8.150 nan 0.000 0.421 170 G N -0.496 108.350 108.800 0.076 0.000 2.795 170 G HA2 -0.071 3.895 3.960 0.009 0.000 0.664 170 G HA3 -0.071 3.895 3.960 0.009 0.000 0.664 170 G C 0.554 175.468 174.900 0.025 0.000 1.381 170 G CA 0.446 45.586 45.100 0.066 0.000 0.853 170 G HN 1.258 nan 8.290 nan 0.000 0.545 171 R N 0.169 120.681 120.500 0.019 0.000 2.148 171 R HA 0.003 4.349 4.340 0.009 0.000 0.223 171 R C 2.162 178.459 176.300 -0.005 0.000 1.088 171 R CA 1.706 57.808 56.100 0.004 0.000 0.985 171 R CB -0.403 29.900 30.300 0.006 0.000 0.880 171 R HN 0.660 nan 8.270 nan 0.000 0.451 172 N N 0.466 119.165 118.700 -0.001 0.000 2.463 172 N HA -0.095 4.651 4.740 0.009 0.000 0.181 172 N C -0.094 175.386 175.510 -0.050 0.000 1.078 172 N CA 0.239 53.278 53.050 -0.018 0.000 0.902 172 N CB 0.067 38.545 38.487 -0.014 0.000 0.970 172 N HN 0.155 nan 8.380 nan 0.000 0.451 173 N N 1.390 120.053 118.700 -0.061 0.000 2.740 173 N HA -0.204 4.542 4.740 0.009 0.000 0.248 173 N C -0.882 174.486 175.510 -0.236 0.000 1.062 173 N CA 0.388 53.357 53.050 -0.135 0.000 0.704 173 N CB -0.913 37.494 38.487 -0.134 0.000 0.968 173 N HN 0.260 nan 8.380 nan 0.000 0.547 174 R N -0.789 119.588 120.500 -0.205 0.000 2.679 174 R HA 0.140 4.486 4.340 0.009 0.000 0.269 174 R C -0.192 175.817 176.300 -0.486 0.000 1.076 174 R CA 0.053 55.969 56.100 -0.308 0.000 1.160 174 R CB 0.330 30.400 30.300 -0.384 0.000 1.054 174 R HN 0.236 nan 8.270 nan 0.000 0.507 175 W N 1.794 122.868 121.300 -0.376 0.000 2.335 175 W HA 0.211 4.877 4.660 0.010 0.000 0.306 175 W C -0.486 175.670 176.519 -0.605 0.000 1.216 175 W CA 0.091 57.223 57.345 -0.355 0.000 1.237 175 W CB 0.389 29.780 29.460 -0.116 0.000 1.243 175 W HN 0.390 nan 8.180 nan 0.000 0.493 176 Y N 2.776 122.898 120.300 -0.296 0.000 2.528 176 Y HA 0.612 5.167 4.550 0.009 0.000 0.335 176 Y C -0.407 175.342 175.900 -0.253 0.000 1.093 176 Y CA -1.465 56.405 58.100 -0.384 0.000 1.134 176 Y CB 1.550 39.568 38.460 -0.736 0.000 1.253 176 Y HN 0.158 nan 8.280 nan 0.000 0.478 177 L N 2.022 123.342 121.223 0.160 0.000 2.376 177 L HA 0.888 5.233 4.340 0.009 0.000 0.275 177 L C -1.081 175.968 176.870 0.299 0.000 0.987 177 L CA -0.685 54.266 54.840 0.185 0.000 0.828 177 L CB 1.290 43.383 42.059 0.057 0.000 1.249 177 L HN 0.622 nan 8.230 nan 0.000 0.409 178 A N 5.562 128.604 122.820 0.370 0.000 2.249 178 A HA 0.746 5.072 4.320 0.009 0.000 0.314 178 A C -0.963 176.772 177.584 0.252 0.000 1.290 178 A CA -0.464 51.757 52.037 0.307 0.000 0.893 178 A CB 0.611 19.796 19.000 0.308 0.000 1.165 178 A HN 0.656 nan 8.150 nan 0.000 0.530 179 V N 0.794 120.771 119.914 0.106 0.000 2.628 179 V HA 0.865 4.991 4.120 0.009 0.000 0.306 179 V C 0.288 176.244 176.094 -0.231 0.000 1.045 179 V CA -0.573 61.742 62.300 0.026 0.000 0.905 179 V CB 1.344 33.195 31.823 0.047 0.000 0.997 179 V HN 1.208 nan 8.190 nan 0.000 0.436 180 A N 2.690 125.279 122.820 -0.386 0.000 2.371 180 A HA 1.052 5.377 4.320 0.009 0.000 0.311 180 A C -0.230 176.940 177.584 -0.689 0.000 1.068 180 A CA -0.015 51.455 52.037 -0.944 0.000 0.744 180 A CB 1.671 19.637 19.000 -1.722 0.000 1.239 180 A HN 2.006 nan 8.150 nan 0.000 0.435 181 A N 0.746 123.142 122.820 -0.707 0.000 2.599 181 A HA 0.788 5.113 4.320 0.009 0.000 0.290 181 A C -0.469 176.866 177.584 -0.415 0.000 1.101 181 A CA -0.409 51.271 52.037 -0.595 0.000 0.674 181 A CB 0.686 19.054 19.000 -1.053 0.000 1.277 181 A HN 0.875 nan 8.150 nan 0.000 0.419 182 T N 1.814 116.194 114.554 -0.291 0.000 3.281 182 T HA 0.336 4.692 4.350 0.009 0.000 0.359 182 T C 0.089 174.707 174.700 -0.136 0.000 1.459 182 T CA 0.290 62.315 62.100 -0.126 0.000 1.114 182 T CB -0.704 68.100 68.868 -0.106 0.000 1.162 182 T HN 0.469 nan 8.240 nan 0.000 0.665 183 Y N 1.302 121.613 120.300 0.019 0.000 2.314 183 Y HA 0.077 4.633 4.550 0.010 0.000 0.293 183 Y C 1.314 177.261 175.900 0.078 0.000 1.129 183 Y CA 0.200 58.324 58.100 0.040 0.000 1.201 183 Y CB 0.158 38.602 38.460 -0.025 0.000 0.999 183 Y HN 0.266 nan 8.280 nan 0.000 0.541 184 V N 2.549 122.508 119.914 0.076 0.000 2.347 184 V HA 0.357 4.483 4.120 0.009 0.000 0.280 184 V C -0.334 175.616 176.094 -0.239 0.000 1.021 184 V CA -0.768 61.470 62.300 -0.103 0.000 0.847 184 V CB 1.237 32.890 31.823 -0.284 0.000 0.990 184 V HN 0.053 nan 8.190 nan 0.000 0.444 185 L N 6.389 127.366 121.223 -0.409 0.000 2.393 185 L HA 0.587 4.933 4.340 0.009 0.000 0.260 185 L C -2.412 174.323 176.870 -0.225 0.000 1.002 185 L CA -1.960 52.603 54.840 -0.461 0.000 0.818 185 L CB 3.434 44.959 42.059 -0.891 0.000 1.369 185 L HN 0.399 nan 8.230 nan 0.000 0.412 186 P HA 0.029 nan 4.420 nan 0.000 0.263 186 P C -1.248 176.053 177.300 0.001 0.000 1.195 186 P CA 0.058 63.142 63.100 -0.026 0.000 0.762 186 P CB 0.448 32.141 31.700 -0.011 0.000 0.799 187 E N 5.637 125.867 120.200 0.050 0.000 2.073 187 E HA 0.155 4.511 4.350 0.009 0.000 0.269 187 E C -1.369 175.268 176.600 0.062 0.000 0.917 187 E CA -1.707 54.740 56.400 0.080 0.000 0.757 187 E CB 1.016 30.785 29.700 0.115 0.000 1.111 187 E HN 0.453 nan 8.360 nan 0.000 0.410 188 P HA -0.134 nan 4.420 nan 0.000 0.214 188 P C 0.374 177.703 177.300 0.048 0.000 1.162 188 P CA 0.669 63.797 63.100 0.046 0.000 0.871 188 P CB 0.365 32.091 31.700 0.044 0.000 0.783 189 E N 1.243 121.476 120.200 0.056 0.000 2.493 189 E HA -0.011 4.345 4.350 0.009 0.000 0.255 189 E C 0.771 177.402 176.600 0.052 0.000 0.999 189 E CA 0.488 56.921 56.400 0.054 0.000 0.934 189 E CB 0.562 30.300 29.700 0.063 0.000 0.940 189 E HN 0.228 nan 8.360 nan 0.000 0.473 190 T N 1.190 115.770 114.554 0.043 0.000 3.148 190 T HA 0.185 4.541 4.350 0.009 0.000 0.253 190 T C 1.197 175.920 174.700 0.038 0.000 1.134 190 T CA 0.485 62.609 62.100 0.040 0.000 1.051 190 T CB 0.380 69.267 68.868 0.032 0.000 0.959 190 T HN 0.313 nan 8.240 nan 0.000 0.525 191 A N 1.980 124.824 122.820 0.040 0.000 1.999 191 A HA 0.323 4.649 4.320 0.009 0.000 0.200 191 A C 2.152 179.761 177.584 0.042 0.000 1.363 191 A CA 0.510 52.569 52.037 0.036 0.000 0.844 191 A CB -0.321 18.698 19.000 0.031 0.000 0.954 191 A HN 0.546 nan 8.150 nan 0.000 0.481 192 S N 0.679 116.408 115.700 0.050 0.000 2.786 192 S HA 0.137 4.612 4.470 0.009 0.000 0.223 192 S C 0.456 175.092 174.600 0.059 0.000 0.956 192 S CA -0.483 57.751 58.200 0.056 0.000 0.961 192 S CB -0.588 62.652 63.200 0.067 0.000 0.784 192 S HN 0.421 nan 8.310 nan 0.000 0.519 193 R N 0.986 121.521 120.500 0.059 0.000 2.458 193 R HA 0.127 4.472 4.340 0.009 0.000 0.303 193 R C 0.819 177.152 176.300 0.054 0.000 1.013 193 R CA 0.371 56.513 56.100 0.069 0.000 1.026 193 R CB -0.090 30.252 30.300 0.070 0.000 0.948 193 R HN 0.681 nan 8.270 nan 0.000 0.417 194 c N -0.119 118.506 118.600 0.042 0.000 3.491 194 c HA 0.260 4.835 4.570 0.009 0.000 0.298 194 c C 0.281 174.381 174.090 0.017 0.000 1.424 194 c CA -1.135 55.199 56.329 0.008 0.000 1.772 194 c CB -0.637 41.844 42.510 -0.049 0.000 2.447 194 c HN 0.600 nan 8.230 nan 0.000 0.670 195 N N 4.023 122.770 118.700 0.078 0.000 2.345 195 N HA 0.218 4.963 4.740 0.009 0.000 0.243 195 N C -1.863 173.712 175.510 0.109 0.000 1.246 195 N CA -0.368 52.750 53.050 0.114 0.000 0.863 195 N CB 0.386 38.964 38.487 0.152 0.000 1.096 195 N HN 0.478 nan 8.380 nan 0.000 0.446 196 P HA 0.101 nan 4.420 nan 0.000 0.282 196 P C -0.595 176.800 177.300 0.157 0.000 1.286 196 P CA -0.408 62.730 63.100 0.063 0.000 0.777 196 P CB 0.327 32.005 31.700 -0.038 0.000 1.184 197 A N -0.214 122.658 122.820 0.087 0.000 2.429 197 A HA 0.324 4.649 4.320 0.009 0.000 0.242 197 A C 1.792 179.419 177.584 0.072 0.000 1.088 197 A CA 0.455 52.529 52.037 0.061 0.000 0.784 197 A CB -0.826 18.180 19.000 0.011 0.000 1.038 197 A HN 0.574 nan 8.150 nan 0.000 0.501 198 A N 0.502 123.269 122.820 -0.088 0.000 1.978 198 A HA -0.065 4.260 4.320 0.009 0.000 0.220 198 A C 2.194 179.727 177.584 -0.086 0.000 1.170 198 A CA 2.290 54.178 52.037 -0.247 0.000 0.636 198 A CB -0.984 17.883 19.000 -0.221 0.000 0.810 198 A HN 1.683 nan 8.150 nan 0.000 0.448 199 S N -1.307 114.373 115.700 -0.032 0.000 2.603 199 S HA 0.016 4.491 4.470 0.009 0.000 0.220 199 S C 0.597 175.200 174.600 0.005 0.000 0.967 199 S CA 0.802 58.993 58.200 -0.015 0.000 0.920 199 S CB -0.020 63.167 63.200 -0.022 0.000 0.773 199 S HN 0.515 nan 8.310 nan 0.000 0.529 200 D N -0.069 120.354 120.400 0.038 0.000 2.469 200 D HA 0.150 4.795 4.640 0.009 0.000 0.213 200 D C 0.643 176.979 176.300 0.061 0.000 1.135 200 D CA 0.027 54.031 54.000 0.007 0.000 0.834 200 D CB -0.026 40.742 40.800 -0.053 0.000 1.009 200 D HN 0.331 nan 8.370 nan 0.000 0.507 201 H N 1.676 120.727 119.070 -0.032 0.000 2.457 201 H HA -0.101 4.461 4.556 0.010 0.000 0.297 201 H C 1.056 176.391 175.328 0.010 0.000 1.092 201 H CA 1.525 57.572 56.048 -0.002 0.000 1.309 201 H CB 0.200 29.963 29.762 0.002 0.000 1.382 201 H HN 0.204 nan 8.280 nan 0.000 0.535 202 D N -1.275 119.179 120.400 0.091 0.000 2.395 202 D HA 0.013 4.659 4.640 0.009 0.000 0.226 202 D C 0.031 176.351 176.300 0.034 0.000 1.146 202 D CA -0.089 53.940 54.000 0.049 0.000 0.830 202 D CB -0.557 40.263 40.800 0.033 0.000 0.958 202 D HN -0.031 nan 8.370 nan 0.000 0.501 203 T N 0.115 114.678 114.554 0.015 0.000 2.814 203 T HA 0.471 4.827 4.350 0.009 0.000 0.297 203 T C 0.891 175.655 174.700 0.106 0.000 0.956 203 T CA 0.145 62.239 62.100 -0.010 0.000 1.123 203 T CB 1.425 70.198 68.868 -0.158 0.000 0.902 203 T HN 0.270 nan 8.240 nan 0.000 0.528 204 A N 5.013 127.872 122.820 0.064 0.000 1.969 204 A HA 0.502 4.828 4.320 0.009 0.000 0.205 204 A C 0.500 177.957 177.584 -0.212 0.000 1.364 204 A CA 0.281 52.364 52.037 0.076 0.000 0.756 204 A CB 0.304 19.465 19.000 0.269 0.000 0.988 204 A HN 0.729 nan 8.150 nan 0.000 0.490 205 I N -0.491 119.894 120.570 -0.308 0.000 2.608 205 I HA 0.634 4.810 4.170 0.009 0.000 0.295 205 I C -0.390 175.582 176.117 -0.242 0.000 1.049 205 I CA -0.773 60.250 61.300 -0.462 0.000 1.063 205 I CB 2.191 39.714 38.000 -0.795 0.000 1.248 205 I HN 0.242 nan 8.210 nan 0.000 0.424 206 A N 6.470 129.198 122.820 -0.153 0.000 2.435 206 A HA 0.855 5.180 4.320 0.009 0.000 0.304 206 A C -1.160 176.412 177.584 -0.021 0.000 1.064 206 A CA -0.568 51.420 52.037 -0.082 0.000 0.727 206 A CB 1.548 20.508 19.000 -0.066 0.000 1.284 206 A HN 0.666 nan 8.150 nan 0.000 0.415 207 L N 2.406 123.627 121.223 -0.002 0.000 2.272 207 L HA 0.449 4.794 4.340 0.009 0.000 0.289 207 L C -0.362 176.570 176.870 0.102 0.000 1.032 207 L CA -0.765 54.113 54.840 0.063 0.000 0.810 207 L CB 1.350 43.408 42.059 -0.003 0.000 1.205 207 L HN 0.538 nan 8.230 nan 0.000 0.422 208 K N 2.068 122.569 120.400 0.168 0.000 2.244 208 K HA 0.265 4.591 4.320 0.009 0.000 0.260 208 K C -0.927 175.807 176.600 0.223 0.000 0.951 208 K CA -0.773 55.605 56.287 0.153 0.000 0.826 208 K CB 2.389 34.945 32.500 0.092 0.000 1.108 208 K HN 0.390 nan 8.250 nan 0.000 0.433 209 D N 2.230 122.733 120.400 0.172 0.000 2.393 209 D HA -0.011 4.635 4.640 0.009 0.000 0.232 209 D C 1.063 177.330 176.300 -0.054 0.000 1.192 209 D CA -0.117 53.888 54.000 0.008 0.000 0.882 209 D CB 0.828 41.660 40.800 0.052 0.000 1.038 209 D HN 0.584 nan 8.370 nan 0.000 0.499 210 T N 0.921 115.415 114.554 -0.100 0.000 2.946 210 T HA -0.186 4.170 4.350 0.009 0.000 0.271 210 T C 0.779 175.475 174.700 -0.007 0.000 1.104 210 T CA 1.031 63.109 62.100 -0.037 0.000 1.114 210 T CB -0.157 68.688 68.868 -0.038 0.000 0.867 210 T HN 0.541 nan 8.240 nan 0.000 0.513 211 E N 0.535 120.712 120.200 -0.038 0.000 2.569 211 E HA 0.422 4.778 4.350 0.009 0.000 0.205 211 E C 0.822 177.414 176.600 -0.014 0.000 1.006 211 E CA -0.516 55.877 56.400 -0.013 0.000 0.985 211 E CB 0.748 30.441 29.700 -0.011 0.000 1.060 211 E HN 0.595 nan 8.360 nan 0.000 0.460 212 G N 0.533 109.327 108.800 -0.010 0.000 2.788 212 G HA2 0.298 4.263 3.960 0.009 0.000 0.293 212 G HA3 0.298 4.263 3.960 0.009 0.000 0.293 212 G C -0.410 174.497 174.900 0.012 0.000 1.305 212 G CA -0.863 44.238 45.100 0.002 0.000 1.005 212 G HN -0.069 nan 8.290 nan 0.000 0.496 213 R N 0.571 121.079 120.500 0.013 0.000 2.513 213 R HA 0.048 4.394 4.340 0.009 0.000 0.333 213 R C 0.561 176.872 176.300 0.018 0.000 0.925 213 R CA 0.851 56.960 56.100 0.015 0.000 1.072 213 R CB -0.269 30.038 30.300 0.013 0.000 0.914 213 R HN 0.665 nan 8.270 nan 0.000 0.408 214 S N 2.598 118.311 115.700 0.021 0.000 3.473 214 S HA -0.205 4.270 4.470 0.009 0.000 0.339 214 S C 0.667 175.284 174.600 0.029 0.000 1.148 214 S CA 0.848 59.063 58.200 0.025 0.000 0.969 214 S CB -1.254 61.959 63.200 0.021 0.000 0.936 214 S HN 0.781 nan 8.310 nan 0.000 0.530 215 L N -3.369 117.871 121.223 0.029 0.000 3.678 215 L HA -0.288 4.057 4.340 0.009 0.000 0.425 215 L C 0.822 177.716 176.870 0.039 0.000 1.240 215 L CA 0.164 55.024 54.840 0.033 0.000 0.876 215 L CB -2.598 39.484 42.059 0.038 0.000 1.766 215 L HN 0.733 nan 8.230 nan 0.000 0.917 216 A N -0.216 122.625 122.820 0.035 0.000 2.609 216 A HA 0.320 4.645 4.320 0.009 0.000 0.232 216 A C 0.856 178.468 177.584 0.047 0.000 1.041 216 A CA 1.295 53.352 52.037 0.033 0.000 0.753 216 A CB 0.019 19.037 19.000 0.030 0.000 0.966 216 A HN 0.311 nan 8.150 nan 0.000 0.510 217 T N 3.352 117.920 114.554 0.023 0.000 2.779 217 T HA 0.454 4.809 4.350 0.009 0.000 0.280 217 T C 0.102 174.805 174.700 0.005 0.000 0.987 217 T CA -0.259 61.850 62.100 0.015 0.000 0.966 217 T CB 1.237 70.094 68.868 -0.019 0.000 0.933 217 T HN 0.722 nan 8.240 nan 0.000 0.442 218 Q N 1.226 121.031 119.800 0.009 0.000 2.272 218 Q HA 0.267 4.613 4.340 0.009 0.000 0.192 218 Q C 1.653 177.643 176.000 -0.016 0.000 1.059 218 Q CA -0.259 55.545 55.803 0.001 0.000 1.084 218 Q CB 0.335 29.078 28.738 0.007 0.000 1.139 218 Q HN 0.780 nan 8.270 nan 0.000 0.593 219 E N -0.126 120.064 120.200 -0.016 0.000 2.070 219 E HA -0.186 4.170 4.350 0.009 0.000 0.197 219 E C 0.768 177.350 176.600 -0.030 0.000 1.004 219 E CA 1.151 57.538 56.400 -0.022 0.000 0.805 219 E CB -0.014 29.676 29.700 -0.016 0.000 0.744 219 E HN 0.493 nan 8.360 nan 0.000 0.451 220 L N -0.075 121.130 121.223 -0.030 0.000 2.653 220 L HA 0.218 4.564 4.340 0.009 0.000 0.232 220 L C 1.537 178.376 176.870 -0.051 0.000 1.169 220 L CA 0.093 54.910 54.840 -0.038 0.000 0.951 220 L CB 0.571 42.610 42.059 -0.034 0.000 1.181 220 L HN 0.101 nan 8.230 nan 0.000 0.460 221 G N 1.012 109.782 108.800 -0.051 0.000 3.440 221 G HA2 0.180 4.145 3.960 0.009 0.000 0.263 221 G HA3 0.180 4.145 3.960 0.009 0.000 0.263 221 G C 0.465 175.321 174.900 -0.073 0.000 1.236 221 G CA -0.309 44.755 45.100 -0.060 0.000 0.927 221 G HN 0.398 nan 8.290 nan 0.000 0.530 222 R N -1.571 118.878 120.500 -0.085 0.000 2.739 222 R HA 0.725 5.071 4.340 0.009 0.000 0.271 222 R C -2.146 174.075 176.300 -0.132 0.000 1.010 222 R CA -1.094 54.940 56.100 -0.112 0.000 0.897 222 R CB 1.300 31.538 30.300 -0.105 0.000 1.236 222 R HN -0.009 nan 8.270 nan 0.000 0.466 223 L N 1.345 122.459 121.223 -0.181 0.000 2.322 223 L HA 0.505 4.850 4.340 0.009 0.000 0.281 223 L C -1.049 175.746 176.870 -0.124 0.000 1.014 223 L CA -0.371 54.333 54.840 -0.228 0.000 0.815 223 L CB 1.653 43.456 42.059 -0.426 0.000 1.247 223 L HN 0.639 nan 8.230 nan 0.000 0.421 224 K N 5.274 125.638 120.400 -0.060 0.000 2.123 224 K HA 0.531 4.857 4.320 0.009 0.000 0.259 224 K C -0.884 175.787 176.600 0.118 0.000 0.960 224 K CA -0.765 55.535 56.287 0.021 0.000 0.872 224 K CB 1.677 34.170 32.500 -0.012 0.000 1.079 224 K HN 0.513 nan 8.250 nan 0.000 0.440 225 L N 1.359 122.632 121.223 0.084 0.000 2.452 225 L HA 0.116 4.462 4.340 0.009 0.000 0.267 225 L C -0.059 176.768 176.870 -0.072 0.000 1.188 225 L CA -0.631 54.203 54.840 -0.009 0.000 0.821 225 L CB 0.688 42.736 42.059 -0.017 0.000 1.102 225 L HN 0.667 nan 8.230 nan 0.000 0.470 226 c N 2.189 120.689 118.600 -0.167 0.000 2.369 226 c HA 0.138 4.713 4.570 0.009 0.000 0.358 226 c C 0.612 174.621 174.090 -0.135 0.000 1.274 226 c CA -0.633 55.605 56.329 -0.152 0.000 1.935 226 c CB 0.335 42.711 42.510 -0.224 0.000 2.431 226 c HN 0.721 nan 8.230 nan 0.000 0.545 227 E N 1.630 121.773 120.200 -0.094 0.000 2.414 227 E HA 0.353 4.708 4.350 0.009 0.000 0.263 227 E C 1.222 177.760 176.600 -0.104 0.000 1.000 227 E CA 1.057 57.412 56.400 -0.076 0.000 0.914 227 E CB 0.249 29.919 29.700 -0.050 0.000 0.948 227 E HN 1.024 nan 8.360 nan 0.000 0.444 228 G N 3.115 111.862 108.800 -0.088 0.000 2.268 228 G HA2 -0.383 3.582 3.960 0.009 0.000 0.240 228 G HA3 -0.383 3.582 3.960 0.009 0.000 0.240 228 G C 0.987 175.817 174.900 -0.117 0.000 1.010 228 G CA 0.391 45.432 45.100 -0.098 0.000 0.618 228 G HN 0.850 nan 8.290 nan 0.000 0.516 229 A N 0.792 123.523 122.820 -0.149 0.000 2.259 229 A HA 0.491 4.817 4.320 0.009 0.000 0.212 229 A C 2.689 180.217 177.584 -0.094 0.000 1.178 229 A CA 1.969 53.910 52.037 -0.160 0.000 0.734 229 A CB -0.873 17.992 19.000 -0.224 0.000 0.774 229 A HN 2.704 nan 8.150 nan 0.000 0.481 230 G N -1.071 107.688 108.800 -0.068 0.000 2.569 230 G HA2 -0.178 3.788 3.960 0.009 0.000 0.259 230 G HA3 -0.178 3.788 3.960 0.009 0.000 0.259 230 G C 0.126 175.021 174.900 -0.007 0.000 1.263 230 G CA -0.074 45.008 45.100 -0.029 0.000 0.928 230 G HN 0.975 nan 8.290 nan 0.000 0.572 231 S N -0.599 115.129 115.700 0.047 0.000 2.616 231 S HA 0.687 5.163 4.470 0.009 0.000 0.277 231 S C -0.327 174.305 174.600 0.054 0.000 1.234 231 S CA -0.443 57.822 58.200 0.108 0.000 1.028 231 S CB 1.537 64.930 63.200 0.321 0.000 0.988 231 S HN 0.692 nan 8.310 nan 0.000 0.522 232 L N 2.162 123.385 121.223 0.000 0.000 2.356 232 L HA 0.383 4.729 4.340 0.009 0.000 0.277 232 L C -0.593 176.106 176.870 -0.285 0.000 0.996 232 L CA -0.335 54.376 54.840 -0.215 0.000 0.822 232 L CB 1.213 42.982 42.059 -0.483 0.000 1.256 232 L HN 0.729 nan 8.230 nan 0.000 0.413 233 H N 3.538 122.311 119.070 -0.495 0.000 2.641 233 H HA 0.456 5.017 4.556 0.009 0.000 0.295 233 H C -1.073 173.951 175.328 -0.508 0.000 1.070 233 H CA -0.264 55.470 56.048 -0.522 0.000 1.257 233 H CB 0.307 29.460 29.762 -1.016 0.000 1.393 233 H HN 0.344 nan 8.280 nan 0.000 0.464 234 F N 4.784 124.502 119.950 -0.387 0.000 2.438 234 F HA 0.092 4.625 4.527 0.009 0.000 0.356 234 F C 0.933 176.662 175.800 -0.119 0.000 1.099 234 F CA -0.309 57.629 58.000 -0.104 0.000 1.185 234 F CB 1.088 40.055 39.000 -0.055 0.000 1.115 234 F HN 0.389 nan 8.300 nan 0.000 0.526 235 V N 0.642 120.718 119.914 0.269 0.000 2.575 235 V HA 0.017 4.142 4.120 0.009 0.000 0.242 235 V C 0.141 176.442 176.094 0.346 0.000 1.045 235 V CA 1.128 63.599 62.300 0.286 0.000 1.065 235 V CB -0.061 31.959 31.823 0.329 0.000 0.717 235 V HN 0.778 nan 8.190 nan 0.000 0.467 236 D N -1.865 118.765 120.400 0.384 0.000 2.677 236 D HA 0.673 5.319 4.640 0.009 0.000 0.298 236 D C -1.457 175.015 176.300 0.286 0.000 1.250 236 D CA 0.138 54.357 54.000 0.365 0.000 0.888 236 D CB 2.119 43.193 40.800 0.457 0.000 1.397 236 D HN 0.240 nan 8.370 nan 0.000 0.461 237 A N 0.654 123.576 122.820 0.171 0.000 2.491 237 A HA 0.661 4.987 4.320 0.009 0.000 0.293 237 A C -1.633 175.908 177.584 -0.071 0.000 1.047 237 A CA -0.696 51.197 52.037 -0.239 0.000 0.735 237 A CB 0.314 19.213 19.000 -0.169 0.000 1.281 237 A HN 0.691 nan 8.150 nan 0.000 0.398 238 F N 0.539 120.366 119.950 -0.206 0.000 2.668 238 F HA 0.846 5.379 4.527 0.010 0.000 0.309 238 F C -1.922 173.892 175.800 0.024 0.000 1.117 238 F CA -1.607 56.378 58.000 -0.024 0.000 0.951 238 F CB 0.705 39.760 39.000 0.091 0.000 1.323 238 F HN 0.300 nan 8.300 nan 0.000 0.451 239 L N 2.259 123.697 121.223 0.359 0.000 2.312 239 L HA 0.532 4.877 4.340 0.009 0.000 0.281 239 L C -1.189 176.012 176.870 0.552 0.000 1.070 239 L CA -0.284 54.733 54.840 0.295 0.000 0.805 239 L CB 1.091 43.262 42.059 0.187 0.000 1.174 239 L HN 0.834 nan 8.230 nan 0.000 0.434 240 W N 4.444 125.918 121.300 0.290 0.000 3.953 240 W HA 0.250 4.916 4.660 0.009 0.000 0.286 240 W C 0.067 176.730 176.519 0.239 0.000 1.256 240 W CA -0.875 56.633 57.345 0.271 0.000 1.244 240 W CB 0.751 30.383 29.460 0.287 0.000 1.262 240 W HN 0.567 nan 8.180 nan 0.000 0.522 241 N N 3.811 121.989 118.700 -0.869 0.000 2.699 241 N HA -0.167 4.578 4.740 0.009 0.000 0.256 241 N C 0.882 176.209 175.510 -0.306 0.000 0.993 241 N CA 2.997 55.570 53.050 -0.795 0.000 0.759 241 N CB -0.944 36.681 38.487 -1.436 0.000 0.906 241 N HN 1.711 nan 8.380 nan 0.000 0.541 242 G N -1.895 106.800 108.800 -0.175 0.000 2.166 242 G HA2 -0.273 3.693 3.960 0.009 0.000 0.260 242 G HA3 -0.273 3.693 3.960 0.009 0.000 0.260 242 G C 0.131 174.970 174.900 -0.101 0.000 0.986 242 G CA 0.702 45.737 45.100 -0.109 0.000 0.683 242 G HN 0.774 nan 8.290 nan 0.000 0.527 243 S N -1.073 114.587 115.700 -0.066 0.000 2.667 243 S HA 0.805 5.281 4.470 0.009 0.000 0.292 243 S C -0.224 174.263 174.600 -0.188 0.000 1.126 243 S CA -0.721 57.382 58.200 -0.161 0.000 0.881 243 S CB 1.865 64.929 63.200 -0.226 0.000 1.132 243 S HN 0.411 nan 8.310 nan 0.000 0.492 244 I N 1.842 122.172 120.570 -0.400 0.000 2.433 244 I HA 0.437 4.613 4.170 0.009 0.000 0.292 244 I C -1.490 174.200 176.117 -0.712 0.000 1.001 244 I CA -0.567 60.451 61.300 -0.470 0.000 1.119 244 I CB 1.246 38.976 38.000 -0.450 0.000 1.289 244 I HN 0.556 nan 8.210 nan 0.000 0.438 245 Y N 4.956 124.771 120.300 -0.808 0.000 2.429 245 Y HA 0.532 5.087 4.550 0.009 0.000 0.342 245 Y C -0.705 174.612 175.900 -0.973 0.000 1.004 245 Y CA -0.572 57.046 58.100 -0.804 0.000 1.075 245 Y CB 1.906 39.718 38.460 -1.080 0.000 1.214 245 Y HN 0.313 nan 8.280 nan 0.000 0.455 246 F N 3.789 123.681 119.950 -0.097 0.000 2.532 246 F HA 0.436 4.968 4.527 0.009 0.000 0.365 246 F C -2.639 173.338 175.800 0.295 0.000 1.112 246 F CA -2.481 55.585 58.000 0.110 0.000 1.082 246 F CB 1.388 40.502 39.000 0.190 0.000 1.319 246 F HN 0.224 nan 8.300 nan 0.000 0.457 247 P HA 0.213 nan 4.420 nan 0.000 0.276 247 P C -1.283 176.236 177.300 0.365 0.000 1.230 247 P CA 0.120 63.337 63.100 0.195 0.000 0.776 247 P CB 0.497 32.291 31.700 0.156 0.000 0.888 248 Y N 1.554 121.935 120.300 0.134 0.000 2.788 248 Y HA 0.739 5.295 4.550 0.009 0.000 0.335 248 Y C -1.853 174.110 175.900 0.105 0.000 1.287 248 Y CA -1.599 56.488 58.100 -0.022 0.000 1.068 248 Y CB 0.939 39.128 38.460 -0.452 0.000 1.340 248 Y HN 0.479 nan 8.280 nan 0.000 0.449 249 Y N -2.302 118.047 120.300 0.083 0.000 2.521 249 Y HA 0.823 5.378 4.550 0.009 0.000 0.332 249 Y C -3.521 172.484 175.900 0.174 0.000 1.121 249 Y CA -3.215 54.921 58.100 0.059 0.000 1.037 249 Y CB 1.598 40.071 38.460 0.022 0.000 1.330 249 Y HN 0.356 nan 8.280 nan 0.000 0.452 250 P HA 0.146 nan 4.420 nan 0.000 0.268 250 P C -1.563 175.886 177.300 0.249 0.000 1.204 250 P CA 0.666 63.876 63.100 0.183 0.000 0.768 250 P CB 0.197 31.995 31.700 0.163 0.000 0.842 251 Y N 2.284 122.546 120.300 -0.063 0.000 2.519 251 Y HA 0.398 4.953 4.550 0.010 0.000 0.336 251 Y C -1.089 174.697 175.900 -0.189 0.000 1.089 251 Y CA -0.999 57.018 58.100 -0.139 0.000 1.025 251 Y CB 1.756 40.011 38.460 -0.343 0.000 1.318 251 Y HN 0.204 nan 8.280 nan 0.000 0.452 252 N N 4.846 123.160 118.700 -0.644 0.000 2.485 252 N HA 0.110 4.856 4.740 0.009 0.000 0.243 252 N C -0.216 174.904 175.510 -0.650 0.000 0.987 252 N CA 0.010 52.806 53.050 -0.423 0.000 0.940 252 N CB 0.475 38.791 38.487 -0.285 0.000 1.122 252 N HN 0.823 nan 8.380 nan 0.000 0.509 253 Y N 1.691 121.876 120.300 -0.193 0.000 2.293 253 Y HA -0.127 4.429 4.550 0.009 0.000 0.291 253 Y C 2.256 178.121 175.900 -0.058 0.000 1.137 253 Y CA 1.250 59.347 58.100 -0.004 0.000 1.202 253 Y CB 0.066 38.596 38.460 0.117 0.000 0.990 253 Y HN 0.464 nan 8.280 nan 0.000 0.537 254 T N -1.545 113.048 114.554 0.065 0.000 2.732 254 T HA -0.203 4.153 4.350 0.009 0.000 0.261 254 T C 2.162 176.842 174.700 -0.032 0.000 1.040 254 T CA 1.550 63.664 62.100 0.023 0.000 1.145 254 T CB -0.619 68.254 68.868 0.008 0.000 0.866 254 T HN 0.291 nan 8.240 nan 0.000 0.427 255 S N -0.019 115.623 115.700 -0.097 0.000 2.383 255 S HA 0.109 4.585 4.470 0.009 0.000 0.227 255 S C 1.817 176.325 174.600 -0.154 0.000 1.026 255 S CA 1.573 59.702 58.200 -0.118 0.000 0.981 255 S CB -0.823 62.290 63.200 -0.145 0.000 0.818 255 S HN 0.884 nan 8.310 nan 0.000 0.472 256 G N 0.087 108.708 108.800 -0.298 0.000 2.137 256 G HA2 -0.015 3.951 3.960 0.009 0.000 0.237 256 G HA3 -0.015 3.951 3.960 0.009 0.000 0.237 256 G C -0.010 174.691 174.900 -0.331 0.000 1.002 256 G CA 0.228 45.161 45.100 -0.279 0.000 0.702 256 G HN 1.182 nan 8.290 nan 0.000 0.515 257 A N -0.667 121.861 122.820 -0.487 0.000 2.401 257 A HA 1.038 5.364 4.320 0.009 0.000 0.310 257 A C 0.406 177.826 177.584 -0.273 0.000 1.075 257 A CA 0.495 52.378 52.037 -0.257 0.000 0.746 257 A CB 1.446 20.366 19.000 -0.134 0.000 1.277 257 A HN 2.042 nan 8.150 nan 0.000 0.425 258 A N 1.135 123.965 122.820 0.017 0.000 2.407 258 A HA 0.559 4.884 4.320 0.009 0.000 0.248 258 A C 0.934 178.556 177.584 0.063 0.000 1.082 258 A CA 0.599 52.734 52.037 0.164 0.000 0.785 258 A CB -0.043 19.061 19.000 0.173 0.000 1.020 258 A HN 0.868 nan 8.150 nan 0.000 0.489 259 T N 1.468 116.079 114.554 0.095 0.000 3.535 259 T HA 0.344 4.699 4.350 0.009 0.000 0.223 259 T C 1.458 176.181 174.700 0.038 0.000 0.933 259 T CA 0.797 62.921 62.100 0.040 0.000 1.445 259 T CB -0.602 68.284 68.868 0.031 0.000 1.286 259 T HN 0.893 nan 8.240 nan 0.000 0.436 260 G N -0.088 108.755 108.800 0.072 0.000 2.829 260 G HA2 0.388 4.353 3.960 0.009 0.000 0.173 260 G HA3 0.388 4.353 3.960 0.009 0.000 0.173 260 G C -1.029 173.947 174.900 0.128 0.000 1.476 260 G CA -0.585 44.522 45.100 0.011 0.000 1.072 260 G HN 0.272 nan 8.290 nan 0.000 0.577 261 W N 0.324 121.680 121.300 0.094 0.000 2.381 261 W HA 0.473 5.139 4.660 0.009 0.000 0.329 261 W C -2.140 174.404 176.519 0.042 0.000 1.157 261 W CA -2.620 54.763 57.345 0.063 0.000 1.240 261 W CB 0.525 30.003 29.460 0.030 0.000 1.199 261 W HN 0.120 nan 8.180 nan 0.000 0.579 262 P HA 0.120 nan 4.420 nan 0.000 0.269 262 P C -0.343 176.941 177.300 -0.027 0.000 1.209 262 P CA 0.706 63.887 63.100 0.135 0.000 0.776 262 P CB 0.904 32.740 31.700 0.227 0.000 0.876 263 S N 1.215 116.708 115.700 -0.346 0.000 2.880 263 S HA 0.715 5.191 4.470 0.009 0.000 0.308 263 S C -1.009 173.316 174.600 -0.458 0.000 1.195 263 S CA -0.680 57.271 58.200 -0.414 0.000 0.866 263 S CB 1.254 64.181 63.200 -0.454 0.000 1.254 263 S HN 0.362 nan 8.310 nan 0.000 0.571 264 M N 0.894 120.395 119.600 -0.164 0.000 2.322 264 M HA 0.607 5.093 4.480 0.009 0.000 0.285 264 M C -1.791 174.743 176.300 0.390 0.000 1.119 264 M CA -0.454 54.897 55.300 0.085 0.000 0.953 264 M CB 1.996 34.541 32.600 -0.093 0.000 1.701 264 M HN 0.853 nan 8.290 nan 0.000 0.479 265 A N 3.618 126.778 122.820 0.566 0.000 2.312 265 A HA 0.817 5.143 4.320 0.009 0.000 0.326 265 A C -0.915 176.778 177.584 0.182 0.000 1.172 265 A CA -0.593 51.718 52.037 0.457 0.000 0.821 265 A CB 1.065 20.273 19.000 0.348 0.000 1.166 265 A HN 0.879 nan 8.150 nan 0.000 0.493 266 R N 1.965 122.464 120.500 -0.003 0.000 2.534 266 R HA 0.693 5.039 4.340 0.009 0.000 0.301 266 R C -1.982 174.160 176.300 -0.262 0.000 0.961 266 R CA -0.458 55.419 56.100 -0.371 0.000 0.871 266 R CB 0.967 31.004 30.300 -0.438 0.000 1.170 266 R HN 0.613 nan 8.270 nan 0.000 0.446 267 I N 2.301 122.695 120.570 -0.292 0.000 2.828 267 I HA 0.437 4.612 4.170 0.009 0.000 0.302 267 I C -0.480 175.501 176.117 -0.227 0.000 1.101 267 I CA -0.543 60.656 61.300 -0.168 0.000 1.031 267 I CB 2.110 40.077 38.000 -0.055 0.000 1.231 267 I HN 0.815 nan 8.210 nan 0.000 0.427 268 A N 4.321 127.042 122.820 -0.166 0.000 2.407 268 A HA 0.323 4.649 4.320 0.009 0.000 0.248 268 A C -0.127 177.345 177.584 -0.186 0.000 1.082 268 A CA -0.171 51.771 52.037 -0.157 0.000 0.785 268 A CB 0.009 18.945 19.000 -0.106 0.000 1.020 268 A HN 0.690 nan 8.150 nan 0.000 0.489 269 Q N 1.266 120.958 119.800 -0.179 0.000 2.664 269 Q HA 0.326 4.672 4.340 0.009 0.000 0.223 269 Q C -0.045 175.941 176.000 -0.023 0.000 1.298 269 Q CA 0.002 55.684 55.803 -0.203 0.000 0.965 269 Q CB 0.358 29.015 28.738 -0.135 0.000 1.510 269 Q HN 0.702 nan 8.270 nan 0.000 0.567 270 S N -0.273 115.420 115.700 -0.012 0.000 2.732 270 S HA 0.373 4.849 4.470 0.009 0.000 0.293 270 S C 0.916 175.453 174.600 -0.105 0.000 1.159 270 S CA -0.353 57.836 58.200 -0.019 0.000 0.847 270 S CB 1.415 64.579 63.200 -0.060 0.000 1.169 270 S HN 0.532 nan 8.310 nan 0.000 0.501 271 T N -0.565 113.865 114.554 -0.207 0.000 3.081 271 T HA 0.341 4.697 4.350 0.009 0.000 0.255 271 T C 0.253 174.786 174.700 -0.278 0.000 1.113 271 T CA 0.319 62.149 62.100 -0.450 0.000 1.082 271 T CB -0.324 68.392 68.868 -0.253 0.000 0.939 271 T HN 0.577 nan 8.240 nan 0.000 0.506 272 E N 0.428 120.536 120.200 -0.153 0.000 2.299 272 E HA 0.576 4.932 4.350 0.009 0.000 0.265 272 E C -1.297 175.251 176.600 -0.086 0.000 0.911 272 E CA -1.105 55.234 56.400 -0.102 0.000 0.789 272 E CB 2.702 32.362 29.700 -0.067 0.000 1.246 272 E HN -0.080 nan 8.360 nan 0.000 0.427 273 V N 2.482 122.352 119.914 -0.075 0.000 2.508 273 V HA 0.090 4.216 4.120 0.009 0.000 0.281 273 V C -0.539 175.531 176.094 -0.040 0.000 1.041 273 V CA -0.103 62.155 62.300 -0.070 0.000 1.016 273 V CB 0.608 32.379 31.823 -0.087 0.000 0.984 273 V HN 0.373 nan 8.190 nan 0.000 0.478 274 L N 7.559 128.763 121.223 -0.031 0.000 2.442 274 L HA 0.516 4.861 4.340 0.009 0.000 0.261 274 L C -0.726 176.165 176.870 0.035 0.000 1.000 274 L CA -0.450 54.389 54.840 -0.002 0.000 0.882 274 L CB 0.910 42.949 42.059 -0.033 0.000 1.207 274 L HN 0.490 nan 8.230 nan 0.000 0.443 275 F N 3.425 123.314 119.950 -0.101 0.000 2.602 275 F HA 0.143 4.676 4.527 0.009 0.000 0.385 275 F C 0.977 176.734 175.800 -0.071 0.000 1.063 275 F CA 0.700 58.637 58.000 -0.106 0.000 1.233 275 F CB 0.634 39.588 39.000 -0.078 0.000 1.067 275 F HN 0.700 nan 8.300 nan 0.000 0.564 276 Q N 3.940 123.417 119.800 -0.539 0.000 2.189 276 Q HA 0.396 4.742 4.340 0.009 0.000 0.223 276 Q C 0.413 176.018 176.000 -0.658 0.000 0.828 276 Q CA 0.100 55.616 55.803 -0.480 0.000 0.967 276 Q CB 0.942 29.515 28.738 -0.274 0.000 1.139 276 Q HN 0.954 nan 8.270 nan 0.000 0.497 277 G N 1.001 109.013 108.800 -1.313 0.000 2.339 277 G HA2 -0.007 3.959 3.960 0.009 0.000 0.381 277 G HA3 -0.007 3.959 3.960 0.009 0.000 0.381 277 G C -2.075 172.654 174.900 -0.284 0.000 1.400 277 G CA -0.882 43.747 45.100 -0.785 0.000 1.002 277 G HN -0.007 nan 8.290 nan 0.000 0.633 278 Q N -0.558 119.300 119.800 0.097 0.000 2.379 278 Q HA 0.763 5.109 4.340 0.009 0.000 0.278 278 Q C -1.084 175.038 176.000 0.205 0.000 1.068 278 Q CA -0.441 55.571 55.803 0.350 0.000 0.816 278 Q CB 2.244 31.371 28.738 0.649 0.000 1.387 278 Q HN 2.229 nan 8.270 nan 0.000 0.413 279 A N 1.773 124.694 122.820 0.168 0.000 2.540 279 A HA 0.628 4.953 4.320 0.009 0.000 0.297 279 A C -1.196 176.390 177.584 0.003 0.000 1.056 279 A CA -0.619 51.456 52.037 0.064 0.000 0.700 279 A CB 1.865 20.876 19.000 0.017 0.000 1.280 279 A HN 0.653 nan 8.150 nan 0.000 0.398 280 S N 0.792 116.487 115.700 -0.009 0.000 2.617 280 S HA 0.666 5.142 4.470 0.009 0.000 0.269 280 S C -0.309 174.175 174.600 -0.194 0.000 1.292 280 S CA -0.378 57.793 58.200 -0.048 0.000 1.010 280 S CB 0.560 63.778 63.200 0.030 0.000 0.944 280 S HN 0.550 nan 8.310 nan 0.000 0.536 281 L N 2.028 123.127 121.223 -0.207 0.000 2.342 281 L HA 0.408 4.754 4.340 0.009 0.000 0.276 281 L C -0.381 176.382 176.870 -0.179 0.000 0.997 281 L CA -0.608 54.059 54.840 -0.287 0.000 0.838 281 L CB 1.230 43.088 42.059 -0.336 0.000 1.224 281 L HN 0.560 nan 8.230 nan 0.000 0.416 282 D N 2.685 122.990 120.400 -0.159 0.000 2.316 282 D HA 0.148 4.794 4.640 0.009 0.000 0.245 282 D C -0.676 175.533 176.300 -0.152 0.000 1.171 282 D CA -0.021 53.840 54.000 -0.232 0.000 0.856 282 D CB 1.686 42.318 40.800 -0.280 0.000 1.090 282 D HN 0.592 nan 8.370 nan 0.000 0.476 283 c N 4.003 122.433 118.600 -0.282 0.000 3.158 283 c HA 0.556 5.132 4.570 0.009 0.000 0.228 283 c C 0.701 174.686 174.090 -0.175 0.000 2.110 283 c CA -0.325 55.769 56.329 -0.393 0.000 1.407 283 c CB -0.695 41.137 42.510 -1.130 0.000 2.635 283 c HN 0.644 nan 8.230 nan 0.000 0.509 284 G N 0.434 109.197 108.800 -0.062 0.000 4.644 284 G HA2 0.233 4.198 3.960 0.009 0.000 0.307 284 G HA3 0.233 4.198 3.960 0.009 0.000 0.307 284 G C 0.559 175.499 174.900 0.067 0.000 1.331 284 G CA 0.095 45.215 45.100 0.033 0.000 1.059 284 G HN 0.724 nan 8.290 nan 0.000 0.590 285 H N 1.285 120.331 119.070 -0.039 0.000 2.253 285 H HA -0.068 4.493 4.556 0.009 0.000 0.296 285 H C 2.335 177.668 175.328 0.008 0.000 1.067 285 H CA 2.328 58.357 56.048 -0.033 0.000 1.245 285 H CB -0.182 29.542 29.762 -0.064 0.000 1.364 285 H HN 0.209 nan 8.280 nan 0.000 0.494 286 G N -1.446 107.179 108.800 -0.292 0.000 3.424 286 G HA2 0.102 4.068 3.960 0.009 0.000 0.263 286 G HA3 0.102 4.068 3.960 0.009 0.000 0.263 286 G C -0.795 174.090 174.900 -0.024 0.000 1.310 286 G CA -0.014 44.913 45.100 -0.289 0.000 1.089 286 G HN 0.532 nan 8.290 nan 0.000 0.534 287 H N -0.525 118.482 119.070 -0.105 0.000 2.856 287 H HA 0.349 4.911 4.556 0.010 0.000 0.355 287 H C -1.508 173.804 175.328 -0.028 0.000 1.079 287 H CA -1.185 54.836 56.048 -0.045 0.000 1.240 287 H CB 2.996 32.753 29.762 -0.007 0.000 1.701 287 H HN -0.057 nan 8.280 nan 0.000 0.527 288 P HA -0.190 nan 4.420 nan 0.000 0.208 288 P C 0.728 178.036 177.300 0.012 0.000 1.189 288 P CA 1.675 64.710 63.100 -0.109 0.000 0.931 288 P CB 0.308 31.907 31.700 -0.169 0.000 0.783 289 D N -0.613 119.818 120.400 0.052 0.000 2.378 289 D HA 0.057 4.703 4.640 0.009 0.000 0.222 289 D C 1.236 177.649 176.300 0.189 0.000 0.980 289 D CA 1.015 55.089 54.000 0.123 0.000 0.907 289 D CB -0.431 40.439 40.800 0.118 0.000 0.899 289 D HN 0.456 nan 8.370 nan 0.000 0.527 290 G N 0.686 109.634 108.800 0.246 0.000 2.685 290 G HA2 -0.208 3.758 3.960 0.009 0.000 0.387 290 G HA3 -0.208 3.758 3.960 0.009 0.000 0.387 290 G C -0.885 174.104 174.900 0.149 0.000 1.324 290 G CA -0.732 44.489 45.100 0.202 0.000 0.878 290 G HN 0.311 nan 8.290 nan 0.000 0.527 291 R N 0.209 120.771 120.500 0.102 0.000 2.402 291 R HA 0.375 4.720 4.340 0.009 0.000 0.290 291 R C 0.631 177.013 176.300 0.136 0.000 1.321 291 R CA -0.630 55.510 56.100 0.066 0.000 1.283 291 R CB 1.111 31.455 30.300 0.073 0.000 1.111 291 R HN 0.459 nan 8.270 nan 0.000 0.578 292 R N 2.067 122.625 120.500 0.098 0.000 2.555 292 R HA 0.242 4.588 4.340 0.009 0.000 0.272 292 R C -0.283 175.938 176.300 -0.131 0.000 1.089 292 R CA 0.154 56.314 56.100 0.099 0.000 1.126 292 R CB 0.118 30.511 30.300 0.156 0.000 1.250 292 R HN 0.275 nan 8.270 nan 0.000 0.551 293 L N 1.053 122.129 121.223 -0.245 0.000 2.410 293 L HA 0.420 4.766 4.340 0.009 0.000 0.270 293 L C -1.142 175.397 176.870 -0.552 0.000 0.983 293 L CA -1.122 53.316 54.840 -0.670 0.000 0.822 293 L CB 2.204 44.007 42.059 -0.427 0.000 1.285 293 L HN -0.051 nan 8.230 nan 0.000 0.409 294 L N 4.096 124.863 121.223 -0.760 0.000 2.294 294 L HA 0.383 4.729 4.340 0.009 0.000 0.283 294 L C 0.061 176.813 176.870 -0.196 0.000 1.015 294 L CA -0.153 54.424 54.840 -0.437 0.000 0.831 294 L CB 1.137 43.039 42.059 -0.262 0.000 1.217 294 L HN 0.470 nan 8.230 nan 0.000 0.420 295 L N 2.232 123.343 121.223 -0.187 0.000 2.202 295 L HA 0.330 4.676 4.340 0.009 0.000 0.205 295 L C 0.909 177.785 176.870 0.009 0.000 1.083 295 L CA 0.650 55.432 54.840 -0.095 0.000 0.790 295 L CB -1.245 40.766 42.059 -0.080 0.000 0.942 295 L HN 0.663 nan 8.230 nan 0.000 0.452 296 S N -1.194 114.508 115.700 0.003 0.000 2.564 296 S HA 0.625 5.101 4.470 0.009 0.000 0.274 296 S C -0.868 173.758 174.600 0.043 0.000 1.124 296 S CA -0.391 57.865 58.200 0.093 0.000 0.869 296 S CB 1.947 65.182 63.200 0.058 0.000 1.105 296 S HN 0.144 nan 8.310 nan 0.000 0.472 297 S N 1.739 117.516 115.700 0.129 0.000 2.547 297 S HA 0.782 5.258 4.470 0.009 0.000 0.281 297 S C -1.432 173.198 174.600 0.050 0.000 1.118 297 S CA -0.340 57.956 58.200 0.159 0.000 0.947 297 S CB 1.610 65.170 63.200 0.599 0.000 1.053 297 S HN 0.821 nan 8.310 nan 0.000 0.482 298 S N 3.967 119.521 115.700 -0.243 0.000 2.626 298 S HA 0.461 4.936 4.470 0.009 0.000 0.275 298 S C -1.578 172.795 174.600 -0.377 0.000 1.175 298 S CA -0.641 57.439 58.200 -0.200 0.000 0.982 298 S CB 0.945 64.054 63.200 -0.152 0.000 1.093 298 S HN 0.949 nan 8.310 nan 0.000 0.472 299 L N 6.535 127.588 121.223 -0.283 0.000 2.260 299 L HA 0.625 4.971 4.340 0.009 0.000 0.289 299 L C -0.647 176.080 176.870 -0.238 0.000 1.057 299 L CA -0.239 54.398 54.840 -0.338 0.000 0.811 299 L CB 1.106 42.774 42.059 -0.652 0.000 1.184 299 L HN 0.482 nan 8.230 nan 0.000 0.429 300 V N 5.978 125.758 119.914 -0.224 0.000 2.390 300 V HA 0.038 4.163 4.120 0.009 0.000 0.260 300 V C 1.317 177.356 176.094 -0.093 0.000 1.043 300 V CA -0.130 62.059 62.300 -0.184 0.000 1.047 300 V CB 0.064 31.780 31.823 -0.178 0.000 1.066 300 V HN 0.929 nan 8.190 nan 0.000 0.481 301 E N 5.410 125.582 120.200 -0.046 0.000 2.024 301 E HA -0.259 4.097 4.350 0.009 0.000 0.236 301 E C 1.642 178.281 176.600 0.065 0.000 0.995 301 E CA 2.109 58.531 56.400 0.037 0.000 0.904 301 E CB -0.236 29.498 29.700 0.056 0.000 0.823 301 E HN 0.851 nan 8.360 nan 0.000 0.552 302 A N -0.452 122.397 122.820 0.048 0.000 2.900 302 A HA 0.251 4.576 4.320 0.009 0.000 0.246 302 A C 0.791 178.398 177.584 0.039 0.000 1.725 302 A CA 0.281 52.351 52.037 0.055 0.000 1.400 302 A CB -0.594 18.431 19.000 0.042 0.000 0.973 302 A HN 0.337 nan 8.150 nan 0.000 0.635 303 L N -1.905 119.345 121.223 0.044 0.000 3.857 303 L HA 0.254 4.600 4.340 0.009 0.000 0.369 303 L C -0.443 176.447 176.870 0.034 0.000 1.105 303 L CA 0.864 55.715 54.840 0.018 0.000 1.360 303 L CB 0.341 42.379 42.059 -0.035 0.000 1.813 303 L HN 0.356 nan 8.230 nan 0.000 0.630 304 D N 0.042 120.482 120.400 0.066 0.000 2.870 304 D HA -0.132 4.514 4.640 0.009 0.000 0.228 304 D C -0.418 175.765 176.300 -0.195 0.000 1.147 304 D CA 1.179 55.197 54.000 0.029 0.000 0.757 304 D CB -1.441 39.517 40.800 0.263 0.000 1.091 304 D HN 0.133 nan 8.370 nan 0.000 0.429 305 V N -0.022 119.795 119.914 -0.161 0.000 2.735 305 V HA 0.639 4.764 4.120 0.009 0.000 0.310 305 V C -0.499 175.533 176.094 -0.102 0.000 1.061 305 V CA -1.028 61.197 62.300 -0.126 0.000 0.913 305 V CB 2.306 34.074 31.823 -0.092 0.000 1.005 305 V HN 0.246 nan 8.190 nan 0.000 0.428 306 W N 4.227 125.399 121.300 -0.214 0.000 2.529 306 W HA 0.777 5.442 4.660 0.010 0.000 0.321 306 W C -0.233 176.278 176.519 -0.013 0.000 1.047 306 W CA -0.505 56.727 57.345 -0.189 0.000 1.216 306 W CB 1.489 30.831 29.460 -0.196 0.000 1.357 306 W HN 0.724 nan 8.180 nan 0.000 0.489 307 A N 3.886 126.164 122.820 -0.904 0.000 2.337 307 A HA 0.930 5.255 4.320 0.009 0.000 0.329 307 A C -0.440 176.356 177.584 -1.314 0.000 1.146 307 A CA -0.414 51.144 52.037 -0.798 0.000 0.800 307 A CB 1.099 19.827 19.000 -0.453 0.000 1.220 307 A HN 1.109 nan 8.150 nan 0.000 0.472 308 G N -0.265 108.070 108.800 -0.775 0.000 2.746 308 G HA2 0.539 4.504 3.960 0.009 0.000 0.297 308 G HA3 0.539 4.504 3.960 0.009 0.000 0.297 308 G C -1.559 173.320 174.900 -0.034 0.000 1.426 308 G CA -0.398 44.364 45.100 -0.564 0.000 0.989 308 G HN 0.865 nan 8.290 nan 0.000 0.520 309 V N 1.998 121.842 119.914 -0.116 0.000 2.350 309 V HA 0.497 4.623 4.120 0.009 0.000 0.276 309 V C -0.466 175.599 176.094 -0.048 0.000 1.028 309 V CA -0.308 62.010 62.300 0.030 0.000 0.860 309 V CB 0.109 31.922 31.823 -0.016 0.000 0.990 309 V HN 0.540 nan 8.190 nan 0.000 0.453 310 F N 2.544 122.490 119.950 -0.006 0.000 2.450 310 F HA 0.769 5.302 4.527 0.009 0.000 0.328 310 F C 0.626 176.392 175.800 -0.058 0.000 1.068 310 F CA -0.395 57.593 58.000 -0.020 0.000 1.007 310 F CB 2.043 41.056 39.000 0.020 0.000 1.251 310 F HN 0.481 nan 8.300 nan 0.000 0.492 311 S N 0.271 116.019 115.700 0.080 0.000 2.565 311 S HA 0.799 5.275 4.470 0.009 0.000 0.269 311 S C -1.196 173.360 174.600 -0.073 0.000 1.153 311 S CA -0.503 57.680 58.200 -0.027 0.000 0.835 311 S CB 1.193 64.360 63.200 -0.055 0.000 1.122 311 S HN 0.934 nan 8.310 nan 0.000 0.462 312 A N 1.860 124.590 122.820 -0.149 0.000 2.263 312 A HA 0.934 5.259 4.320 0.009 0.000 0.318 312 A C 0.376 177.918 177.584 -0.070 0.000 1.111 312 A CA -0.208 51.753 52.037 -0.127 0.000 0.901 312 A CB 0.346 19.173 19.000 -0.289 0.000 1.280 312 A HN 1.662 nan 8.150 nan 0.000 0.503 313 A N -0.756 122.058 122.820 -0.010 0.000 2.440 313 A HA 0.520 4.846 4.320 0.009 0.000 0.251 313 A C 0.589 178.186 177.584 0.022 0.000 1.089 313 A CA 0.311 52.355 52.037 0.011 0.000 0.779 313 A CB -0.142 18.876 19.000 0.029 0.000 1.022 313 A HN 1.974 nan 8.150 nan 0.000 0.492 314 A N 2.772 125.603 122.820 0.019 0.000 3.181 314 A HA 0.576 4.902 4.320 0.009 0.000 0.293 314 A C 1.170 178.773 177.584 0.032 0.000 1.346 314 A CA 0.606 52.660 52.037 0.029 0.000 1.018 314 A CB -1.316 17.698 19.000 0.023 0.000 1.093 314 A HN 2.802 nan 8.150 nan 0.000 0.629 315 G N 0.114 108.935 108.800 0.034 0.000 2.698 315 G HA2 -0.235 3.731 3.960 0.009 0.000 0.233 315 G HA3 -0.235 3.731 3.960 0.009 0.000 0.233 315 G C 0.358 175.273 174.900 0.026 0.000 1.352 315 G CA 0.233 45.351 45.100 0.030 0.000 0.879 315 G HN 0.419 nan 8.290 nan 0.000 0.567 316 E N 0.168 120.381 120.200 0.023 0.000 2.400 316 E HA 0.216 4.571 4.350 0.009 0.000 0.195 316 E C 2.080 178.695 176.600 0.026 0.000 1.012 316 E CA 0.754 57.167 56.400 0.022 0.000 0.875 316 E CB 0.412 30.123 29.700 0.018 0.000 0.859 316 E HN 0.665 nan 8.360 nan 0.000 0.498 317 G N 0.597 109.413 108.800 0.026 0.000 2.534 317 G HA2 -0.001 3.964 3.960 0.009 0.000 0.220 317 G HA3 -0.001 3.964 3.960 0.009 0.000 0.220 317 G C 0.823 175.740 174.900 0.029 0.000 1.699 317 G CA 0.162 45.278 45.100 0.027 0.000 0.769 317 G HN 0.063 nan 8.290 nan 0.000 0.632 318 Q N -0.828 118.989 119.800 0.028 0.000 1.810 318 Q HA 0.126 4.472 4.340 0.009 0.000 0.178 318 Q C 0.786 176.804 176.000 0.030 0.000 0.788 318 Q CA 0.261 56.082 55.803 0.030 0.000 0.857 318 Q CB -0.144 28.613 28.738 0.031 0.000 1.275 318 Q HN 0.534 nan 8.270 nan 0.000 0.368 319 E N -0.020 120.197 120.200 0.029 0.000 2.051 319 E HA -0.055 4.301 4.350 0.009 0.000 0.189 319 E C 0.625 177.245 176.600 0.032 0.000 0.979 319 E CA 0.496 56.912 56.400 0.027 0.000 0.803 319 E CB 0.326 30.041 29.700 0.024 0.000 0.761 319 E HN 0.134 nan 8.360 nan 0.000 0.451 320 R N 1.609 122.132 120.500 0.038 0.000 2.389 320 R HA 0.043 4.389 4.340 0.009 0.000 0.210 320 R C 0.177 176.514 176.300 0.063 0.000 1.157 320 R CA 0.068 56.199 56.100 0.051 0.000 1.169 320 R CB -1.053 29.283 30.300 0.061 0.000 1.004 320 R HN -0.017 nan 8.270 nan 0.000 0.482 321 R N 0.926 121.456 120.500 0.050 0.000 2.489 321 R HA 0.043 4.389 4.340 0.009 0.000 0.287 321 R C -0.218 176.117 176.300 0.059 0.000 1.053 321 R CA 0.287 56.418 56.100 0.052 0.000 1.036 321 R CB 0.482 30.807 30.300 0.042 0.000 0.966 321 R HN 0.070 nan 8.270 nan 0.000 0.432 322 S N 4.154 119.898 115.700 0.073 0.000 2.569 322 S HA 0.542 5.018 4.470 0.009 0.000 0.280 322 S C -2.230 172.405 174.600 0.058 0.000 1.111 322 S CA -1.525 56.721 58.200 0.077 0.000 0.887 322 S CB 1.847 65.131 63.200 0.140 0.000 1.095 322 S HN 0.588 nan 8.310 nan 0.000 0.476 323 P HA 0.074 nan 4.420 nan 0.000 0.239 323 P C 0.690 178.000 177.300 0.016 0.000 1.184 323 P CA 0.767 63.863 63.100 -0.005 0.000 0.760 323 P CB -0.435 31.248 31.700 -0.028 0.000 0.884 324 T N -6.028 108.570 114.554 0.072 0.000 3.111 324 T HA 0.051 4.407 4.350 0.009 0.000 0.284 324 T C 1.381 176.130 174.700 0.082 0.000 0.983 324 T CA 0.417 62.579 62.100 0.104 0.000 0.900 324 T CB -0.970 67.987 68.868 0.147 0.000 1.132 324 T HN 0.051 nan 8.240 nan 0.000 0.531 325 T N 1.046 115.614 114.554 0.023 0.000 2.803 325 T HA -0.026 4.329 4.350 0.009 0.000 0.269 325 T C 1.246 175.865 174.700 -0.135 0.000 1.052 325 T CA 1.514 63.518 62.100 -0.161 0.000 1.136 325 T CB -0.953 67.883 68.868 -0.053 0.000 0.864 325 T HN 0.727 nan 8.240 nan 0.000 0.467 326 T N -0.884 113.669 114.554 -0.001 0.000 2.938 326 T HA 0.802 5.158 4.350 0.009 0.000 0.285 326 T C -0.677 174.067 174.700 0.074 0.000 1.028 326 T CA -0.477 61.645 62.100 0.036 0.000 1.005 326 T CB 1.967 70.873 68.868 0.063 0.000 1.157 326 T HN 0.871 nan 8.240 nan 0.000 0.550 327 A N 0.421 123.298 122.820 0.094 0.000 2.590 327 A HA 0.600 4.926 4.320 0.009 0.000 0.294 327 A C -1.865 175.784 177.584 0.108 0.000 1.046 327 A CA -0.865 51.226 52.037 0.091 0.000 0.684 327 A CB 1.133 20.171 19.000 0.062 0.000 1.279 327 A HN 1.209 nan 8.150 nan 0.000 0.415 328 L N 1.065 122.321 121.223 0.054 0.000 2.296 328 L HA 0.820 5.166 4.340 0.009 0.000 0.286 328 L C -0.843 176.008 176.870 -0.031 0.000 1.023 328 L CA -0.173 54.686 54.840 0.032 0.000 0.812 328 L CB 0.992 43.040 42.059 -0.019 0.000 1.223 328 L HN 0.770 nan 8.230 nan 0.000 0.421 329 c N 5.197 123.790 118.600 -0.012 0.000 2.498 329 c HA 0.705 5.281 4.570 0.009 0.000 0.316 329 c C -0.601 173.383 174.090 -0.176 0.000 1.209 329 c CA -0.819 55.400 56.329 -0.184 0.000 1.518 329 c CB 1.464 43.774 42.510 -0.333 0.000 2.147 329 c HN 0.703 nan 8.230 nan 0.000 0.483 330 L N 2.945 123.960 121.223 -0.346 0.000 2.329 330 L HA 0.714 5.059 4.340 0.009 0.000 0.279 330 L C -0.608 176.023 176.870 -0.397 0.000 1.014 330 L CA 0.214 54.907 54.840 -0.244 0.000 0.814 330 L CB 0.854 42.788 42.059 -0.208 0.000 1.257 330 L HN 0.520 nan 8.230 nan 0.000 0.424 331 F N 1.618 121.595 119.950 0.045 0.000 2.563 331 F HA 0.570 5.103 4.527 0.009 0.000 0.316 331 F C 0.360 176.146 175.800 -0.022 0.000 1.076 331 F CA -0.874 57.159 58.000 0.055 0.000 0.921 331 F CB 1.681 40.797 39.000 0.194 0.000 1.209 331 F HN 0.193 nan 8.300 nan 0.000 0.462 332 R N 2.892 123.460 120.500 0.114 0.000 2.216 332 R HA 0.230 4.575 4.340 0.009 0.000 0.332 332 R C 0.850 177.085 176.300 -0.109 0.000 1.056 332 R CA -0.488 55.603 56.100 -0.015 0.000 0.901 332 R CB 0.852 31.148 30.300 -0.008 0.000 1.039 332 R HN 0.659 nan 8.270 nan 0.000 0.456 333 M N 1.397 120.779 119.600 -0.362 0.000 2.195 333 M HA -0.188 4.297 4.480 0.009 0.000 0.260 333 M C 2.161 178.196 176.300 -0.443 0.000 1.066 333 M CA 1.873 56.684 55.300 -0.815 0.000 1.089 333 M CB -1.001 30.331 32.600 -2.113 0.000 1.377 333 M HN 0.611 nan 8.290 nan 0.000 0.411 334 S N -0.211 115.436 115.700 -0.090 0.000 2.368 334 S HA -0.160 4.316 4.470 0.009 0.000 0.225 334 S C 1.756 176.415 174.600 0.099 0.000 1.030 334 S CA 1.381 59.684 58.200 0.171 0.000 0.999 334 S CB -0.530 62.774 63.200 0.173 0.000 0.844 334 S HN 0.573 nan 8.310 nan 0.000 0.459 335 E N 0.620 120.845 120.200 0.042 0.000 2.152 335 E HA 0.031 4.387 4.350 0.009 0.000 0.192 335 E C 1.991 178.614 176.600 0.039 0.000 0.983 335 E CA 0.821 57.250 56.400 0.047 0.000 0.818 335 E CB -0.140 29.590 29.700 0.050 0.000 0.758 335 E HN 0.457 nan 8.360 nan 0.000 0.467 336 I N 1.219 121.789 120.570 -0.001 0.000 2.226 336 I HA -0.272 3.904 4.170 0.009 0.000 0.245 336 I C 2.567 178.727 176.117 0.071 0.000 1.100 336 I CA 1.459 62.742 61.300 -0.028 0.000 1.374 336 I CB -1.016 36.881 38.000 -0.171 0.000 1.057 336 I HN 0.225 nan 8.210 nan 0.000 0.413 337 Q N 0.911 120.797 119.800 0.143 0.000 2.050 337 Q HA -0.174 4.172 4.340 0.009 0.000 0.202 337 Q C 2.362 178.446 176.000 0.140 0.000 0.980 337 Q CA 2.115 58.069 55.803 0.252 0.000 0.840 337 Q CB -0.009 28.965 28.738 0.394 0.000 0.898 337 Q HN 0.467 nan 8.270 nan 0.000 0.424 338 A N 0.946 123.833 122.820 0.112 0.000 1.908 338 A HA -0.180 4.146 4.320 0.009 0.000 0.218 338 A C 1.943 179.555 177.584 0.047 0.000 1.181 338 A CA 1.592 53.672 52.037 0.071 0.000 0.627 338 A CB -0.393 18.646 19.000 0.064 0.000 0.818 338 A HN 0.357 nan 8.150 nan 0.000 0.445 339 R N -0.638 119.887 120.500 0.043 0.000 2.310 339 R HA 0.282 4.627 4.340 0.009 0.000 0.202 339 R C 0.448 176.763 176.300 0.025 0.000 0.933 339 R CA 0.364 56.480 56.100 0.027 0.000 1.054 339 R CB -0.017 30.292 30.300 0.016 0.000 0.985 339 R HN 0.390 nan 8.270 nan 0.000 0.489 340 A N 2.205 125.045 122.820 0.034 0.000 2.343 340 A HA 0.204 4.530 4.320 0.009 0.000 0.305 340 A C -0.270 177.301 177.584 -0.022 0.000 1.308 340 A CA -0.302 51.750 52.037 0.025 0.000 0.949 340 A CB 0.194 19.221 19.000 0.045 0.000 1.148 340 A HN -0.053 nan 8.150 nan 0.000 0.545 341 K N 2.045 122.443 120.400 -0.004 0.000 2.110 341 K HA 0.276 4.602 4.320 0.009 0.000 0.263 341 K C -0.040 176.529 176.600 -0.051 0.000 0.975 341 K CA -0.615 55.661 56.287 -0.019 0.000 0.895 341 K CB 1.552 34.069 32.500 0.030 0.000 1.060 341 K HN 0.640 nan 8.250 nan 0.000 0.448 342 R N 1.232 121.679 120.500 -0.088 0.000 4.886 342 R HA 0.067 4.413 4.340 0.009 0.000 0.181 342 R C 0.311 176.735 176.300 0.207 0.000 1.989 342 R CA -0.107 55.951 56.100 -0.070 0.000 1.623 342 R CB -0.322 29.945 30.300 -0.055 0.000 1.383 342 R HN 0.212 nan 8.270 nan 0.000 0.847 343 V N 0.007 120.101 119.914 0.300 0.000 2.834 343 V HA 0.262 4.388 4.120 0.009 0.000 0.313 343 V C -0.111 176.243 176.094 0.435 0.000 1.060 343 V CA -0.506 61.984 62.300 0.316 0.000 0.989 343 V CB 2.156 34.133 31.823 0.256 0.000 1.041 343 V HN 0.305 nan 8.190 nan 0.000 0.459 344 S N 6.081 121.979 115.700 0.329 0.000 2.464 344 S HA 0.290 4.766 4.470 0.009 0.000 0.313 344 S C -0.006 174.775 174.600 0.300 0.000 1.078 344 S CA -0.457 57.901 58.200 0.263 0.000 1.096 344 S CB -0.070 63.218 63.200 0.146 0.000 1.032 344 S HN 0.909 nan 8.310 nan 0.000 0.498 345 W N 3.727 125.084 121.300 0.095 0.000 3.875 345 W HA 0.202 4.868 4.660 0.009 0.000 0.221 345 W C 0.254 176.729 176.519 -0.073 0.000 0.947 345 W CA 0.117 57.486 57.345 0.041 0.000 2.039 345 W CB 0.155 29.671 29.460 0.095 0.000 0.954 345 W HN 0.555 nan 8.180 nan 0.000 0.792 346 D N -0.198 120.182 120.400 -0.034 0.000 2.388 346 D HA 0.128 4.774 4.640 0.009 0.000 0.208 346 D C -0.438 175.330 176.300 -0.886 0.000 1.035 346 D CA 0.681 54.370 54.000 -0.517 0.000 0.875 346 D CB 0.562 40.968 40.800 -0.656 0.000 0.984 346 D HN -0.144 nan 8.370 nan 0.000 0.508 347 F N 0.779 120.673 119.950 -0.093 0.000 2.577 347 F HA 0.379 4.911 4.527 0.009 0.000 0.318 347 F C 0.587 176.257 175.800 -0.217 0.000 1.065 347 F CA -1.092 56.764 58.000 -0.240 0.000 0.929 347 F CB 1.356 40.048 39.000 -0.514 0.000 1.237 347 F HN -0.578 nan 8.300 nan 0.000 0.468 348 K N 0.715 121.108 120.400 -0.011 0.000 2.185 348 K HA 0.592 4.918 4.320 0.009 0.000 0.271 348 K C -0.252 176.318 176.600 -0.050 0.000 1.013 348 K CA -0.477 55.792 56.287 -0.030 0.000 0.943 348 K CB 1.188 33.673 32.500 -0.024 0.000 0.998 348 K HN 0.805 nan 8.250 nan 0.000 0.468 349 T N -2.615 111.936 114.554 -0.006 0.000 2.883 349 T HA 0.486 4.842 4.350 0.009 0.000 0.296 349 T C 0.533 175.229 174.700 -0.005 0.000 1.117 349 T CA -0.852 61.263 62.100 0.025 0.000 1.006 349 T CB 1.811 70.743 68.868 0.107 0.000 1.191 349 T HN 0.442 nan 8.240 nan 0.000 0.508 350 A N 0.527 123.348 122.820 0.001 0.000 2.072 350 A HA 0.104 4.430 4.320 0.009 0.000 0.216 350 A C 1.896 179.453 177.584 -0.046 0.000 1.156 350 A CA 0.700 52.721 52.037 -0.026 0.000 0.701 350 A CB -0.453 18.540 19.000 -0.011 0.000 0.816 350 A HN 0.888 nan 8.150 nan 0.000 0.458 351 E N -0.286 119.902 120.200 -0.020 0.000 2.479 351 E HA 0.148 4.504 4.350 0.009 0.000 0.193 351 E C 0.276 176.846 176.600 -0.049 0.000 1.049 351 E CA 0.692 57.077 56.400 -0.024 0.000 0.870 351 E CB -0.118 29.590 29.700 0.014 0.000 0.944 351 E HN 0.268 nan 8.360 nan 0.000 0.492 352 S N -0.484 115.166 115.700 -0.084 0.000 2.615 352 S HA 0.346 4.822 4.470 0.009 0.000 0.269 352 S C -1.449 173.049 174.600 -0.171 0.000 1.161 352 S CA -0.727 57.414 58.200 -0.098 0.000 0.817 352 S CB 0.998 64.218 63.200 0.034 0.000 1.131 352 S HN 0.207 nan 8.310 nan 0.000 0.467 353 H N 0.275 119.366 119.070 0.034 0.000 2.483 353 H HA 0.381 4.943 4.556 0.009 0.000 0.338 353 H C -0.019 175.307 175.328 -0.003 0.000 1.152 353 H CA -0.303 55.750 56.048 0.008 0.000 1.264 353 H CB 0.953 30.714 29.762 -0.001 0.000 1.510 353 H HN 0.668 nan 8.280 nan 0.000 0.530 354 c N 2.760 121.419 118.600 0.099 0.000 2.590 354 c HA -0.047 4.528 4.570 0.009 0.000 0.411 354 c C 0.832 174.856 174.090 -0.111 0.000 1.420 354 c CA -0.014 56.295 56.329 -0.034 0.000 1.643 354 c CB -1.625 40.829 42.510 -0.094 0.000 2.528 354 c HN 0.777 nan 8.230 nan 0.000 0.606 355 K N 2.336 122.623 120.400 -0.188 0.000 3.278 355 K HA -0.230 4.096 4.320 0.009 0.000 0.270 355 K C 0.437 177.019 176.600 -0.030 0.000 0.955 355 K CA 0.812 56.892 56.287 -0.346 0.000 0.723 355 K CB -0.873 31.111 32.500 -0.861 0.000 1.382 355 K HN 0.843 nan 8.250 nan 0.000 0.461 356 E N -1.146 119.125 120.200 0.118 0.000 2.444 356 E HA 0.049 4.405 4.350 0.009 0.000 0.209 356 E C 1.362 178.065 176.600 0.172 0.000 0.806 356 E CA 0.429 56.907 56.400 0.131 0.000 1.240 356 E CB 0.610 30.386 29.700 0.128 0.000 1.238 356 E HN 0.466 nan 8.360 nan 0.000 0.591 357 G N 0.691 109.613 108.800 0.204 0.000 2.666 357 G HA2 0.051 4.016 3.960 0.009 0.000 0.207 357 G HA3 0.051 4.016 3.960 0.009 0.000 0.207 357 G C 0.006 175.027 174.900 0.202 0.000 1.481 357 G CA -0.385 44.822 45.100 0.179 0.000 1.071 357 G HN -0.045 nan 8.290 nan 0.000 0.572 358 D N 0.254 120.746 120.400 0.153 0.000 2.360 358 D HA 0.199 4.844 4.640 0.009 0.000 0.242 358 D C 0.350 176.692 176.300 0.070 0.000 1.184 358 D CA 0.375 54.435 54.000 0.100 0.000 0.930 358 D CB 0.911 41.750 40.800 0.065 0.000 1.161 358 D HN 0.232 nan 8.370 nan 0.000 0.447 359 Q N 0.193 119.932 119.800 -0.102 0.000 2.256 359 Q HA 0.361 4.706 4.340 0.009 0.000 0.232 359 Q C -2.167 173.678 176.000 -0.257 0.000 0.965 359 Q CA -1.551 53.986 55.803 -0.445 0.000 0.908 359 Q CB 0.499 28.876 28.738 -0.601 0.000 1.209 359 Q HN 0.105 nan 8.270 nan 0.000 0.489 360 P HA 0.026 nan 4.420 nan 0.000 0.271 360 P C -1.093 176.190 177.300 -0.029 0.000 1.216 360 P CA 0.083 63.128 63.100 -0.092 0.000 0.771 360 P CB 0.538 32.205 31.700 -0.056 0.000 0.864 361 E N 2.602 122.802 120.200 0.000 0.000 2.354 361 E HA 0.153 4.509 4.350 0.009 0.000 0.269 361 E C -0.147 176.434 176.600 -0.031 0.000 1.036 361 E CA -0.372 56.025 56.400 -0.005 0.000 0.876 361 E CB 0.585 30.284 29.700 -0.002 0.000 1.009 361 E HN 0.303 nan 8.360 nan 0.000 0.416 362 R N 0.860 121.308 120.500 -0.088 0.000 2.459 362 R HA 0.361 4.707 4.340 0.009 0.000 0.281 362 R C -0.670 175.557 176.300 -0.122 0.000 1.050 362 R CA -0.552 55.424 56.100 -0.207 0.000 1.055 362 R CB 0.666 30.707 30.300 -0.432 0.000 1.045 362 R HN 0.170 nan 8.270 nan 0.000 0.495 363 V N 2.569 122.420 119.914 -0.104 0.000 2.513 363 V HA 0.257 4.382 4.120 0.009 0.000 0.299 363 V C -0.278 175.919 176.094 0.172 0.000 1.035 363 V CA -0.972 61.339 62.300 0.019 0.000 0.889 363 V CB 1.671 33.493 31.823 -0.002 0.000 0.988 363 V HN 0.569 nan 8.190 nan 0.000 0.440 364 Q N 5.360 125.242 119.800 0.138 0.000 2.241 364 Q HA 0.457 4.803 4.340 0.009 0.000 0.254 364 Q C -2.368 173.598 176.000 -0.057 0.000 0.917 364 Q CA -1.931 53.906 55.803 0.056 0.000 0.919 364 Q CB 2.125 30.833 28.738 -0.049 0.000 1.237 364 Q HN 0.484 nan 8.270 nan 0.000 0.434 365 P HA 0.236 nan 4.420 nan 0.000 0.277 365 P C -0.138 176.859 177.300 -0.506 0.000 1.271 365 P CA -0.458 62.005 63.100 -1.062 0.000 0.795 365 P CB 0.913 31.784 31.700 -1.382 0.000 1.101 366 I N 1.125 121.426 120.570 -0.447 0.000 2.453 366 I HA -0.017 4.159 4.170 0.009 0.000 0.300 366 I C 1.968 177.923 176.117 -0.270 0.000 1.159 366 I CA -0.112 61.025 61.300 -0.273 0.000 1.379 366 I CB -0.242 37.629 38.000 -0.214 0.000 1.460 366 I HN 0.377 nan 8.210 nan 0.000 0.601 367 A N 4.319 126.989 122.820 -0.250 0.000 2.001 367 A HA -0.278 4.048 4.320 0.009 0.000 0.224 367 A C 2.395 179.847 177.584 -0.221 0.000 1.203 367 A CA 2.614 54.499 52.037 -0.253 0.000 0.667 367 A CB -0.536 18.334 19.000 -0.216 0.000 0.823 367 A HN 0.675 nan 8.150 nan 0.000 0.473 368 S N -0.440 115.156 115.700 -0.173 0.000 2.402 368 S HA -0.078 4.398 4.470 0.009 0.000 0.229 368 S C 2.109 176.627 174.600 -0.137 0.000 1.021 368 S CA 1.319 59.436 58.200 -0.138 0.000 0.974 368 S CB -0.205 62.929 63.200 -0.111 0.000 0.800 368 S HN 0.671 nan 8.310 nan 0.000 0.484 369 S N 0.907 116.510 115.700 -0.161 0.000 2.446 369 S HA 0.044 4.520 4.470 0.009 0.000 0.225 369 S C 0.853 175.363 174.600 -0.150 0.000 1.016 369 S CA 0.220 58.328 58.200 -0.153 0.000 0.943 369 S CB -0.199 62.897 63.200 -0.173 0.000 0.786 369 S HN 0.490 nan 8.310 nan 0.000 0.508 370 T N 3.059 117.503 114.554 -0.183 0.000 2.891 370 T HA 0.123 4.478 4.350 0.009 0.000 0.296 370 T C -0.501 174.149 174.700 -0.083 0.000 1.025 370 T CA 0.397 62.403 62.100 -0.157 0.000 1.149 370 T CB 0.185 68.930 68.868 -0.204 0.000 1.007 370 T HN 0.083 nan 8.240 nan 0.000 0.528 371 L N 5.505 126.704 121.223 -0.040 0.000 2.415 371 L HA 0.534 4.880 4.340 0.009 0.000 0.268 371 L C -0.682 176.221 176.870 0.054 0.000 0.984 371 L CA -0.397 54.447 54.840 0.008 0.000 0.853 371 L CB 0.867 42.929 42.059 0.005 0.000 1.215 371 L HN 0.604 nan 8.230 nan 0.000 0.419 372 I N 4.869 125.484 120.570 0.075 0.000 2.519 372 I HA 0.340 4.516 4.170 0.009 0.000 0.287 372 I C 0.030 176.231 176.117 0.140 0.000 1.047 372 I CA -0.214 61.145 61.300 0.098 0.000 1.381 372 I CB 0.825 38.875 38.000 0.084 0.000 1.417 372 I HN 0.637 nan 8.210 nan 0.000 0.540 373 H N 2.592 121.678 119.070 0.026 0.000 2.928 373 H HA 0.244 4.806 4.556 0.009 0.000 0.285 373 H C -0.024 175.318 175.328 0.023 0.000 1.438 373 H CA -0.048 56.015 56.048 0.025 0.000 1.176 373 H CB 2.041 31.819 29.762 0.026 0.000 1.864 373 H HN 0.553 nan 8.280 nan 0.000 0.567 374 S N -0.588 115.241 115.700 0.215 0.000 2.506 374 S HA 0.083 4.559 4.470 0.009 0.000 0.219 374 S C 0.223 174.983 174.600 0.267 0.000 1.031 374 S CA 0.415 58.719 58.200 0.173 0.000 0.911 374 S CB 0.609 63.819 63.200 0.017 0.000 0.812 374 S HN 0.487 nan 8.310 nan 0.000 0.497 375 D N 0.666 121.352 120.400 0.477 0.000 3.407 375 D HA 0.295 4.940 4.640 0.009 0.000 0.291 375 D C -0.983 175.300 176.300 -0.029 0.000 1.309 375 D CA -0.217 53.880 54.000 0.162 0.000 0.747 375 D CB -0.179 40.713 40.800 0.154 0.000 1.343 375 D HN 0.292 nan 8.370 nan 0.000 0.631 376 L N 0.845 122.011 121.223 -0.094 0.000 2.326 376 L HA 0.406 4.751 4.340 0.009 0.000 0.278 376 L C 1.734 178.577 176.870 -0.046 0.000 1.092 376 L CA 0.072 54.821 54.840 -0.153 0.000 0.810 376 L CB 1.659 43.636 42.059 -0.137 0.000 1.153 376 L HN 0.249 nan 8.230 nan 0.000 0.439 377 T N -2.937 111.604 114.554 -0.023 0.000 2.969 377 T HA 0.135 4.491 4.350 0.009 0.000 0.258 377 T C 0.433 175.156 174.700 0.038 0.000 0.962 377 T CA -0.105 62.004 62.100 0.015 0.000 0.903 377 T CB 0.608 69.501 68.868 0.043 0.000 1.177 377 T HN 0.428 nan 8.240 nan 0.000 0.511 378 S N -0.408 115.312 115.700 0.034 0.000 2.618 378 S HA 0.797 5.273 4.470 0.009 0.000 0.277 378 S C -1.992 172.635 174.600 0.044 0.000 1.138 378 S CA -0.312 57.917 58.200 0.049 0.000 0.844 378 S CB 1.998 65.238 63.200 0.067 0.000 1.127 378 S HN 0.769 nan 8.310 nan 0.000 0.474 379 V N 2.946 122.892 119.914 0.054 0.000 3.077 379 V HA 0.796 4.921 4.120 0.009 0.000 0.299 379 V C -2.380 173.797 176.094 0.139 0.000 1.276 379 V CA -0.381 61.956 62.300 0.061 0.000 0.993 379 V CB 2.021 33.817 31.823 -0.046 0.000 1.076 379 V HN 1.046 nan 8.190 nan 0.000 0.434 380 Y N 3.883 124.211 120.300 0.047 0.000 2.482 380 Y HA 0.810 5.366 4.550 0.010 0.000 0.334 380 Y C -0.341 175.618 175.900 0.097 0.000 1.091 380 Y CA 0.261 58.406 58.100 0.074 0.000 1.027 380 Y CB 2.236 40.779 38.460 0.138 0.000 1.306 380 Y HN 1.043 nan 8.280 nan 0.000 0.446 381 G N 2.366 110.604 108.800 -0.937 0.000 2.659 381 G HA2 0.672 4.638 3.960 0.009 0.000 0.296 381 G HA3 0.672 4.638 3.960 0.009 0.000 0.296 381 G C -1.382 173.083 174.900 -0.725 0.000 1.369 381 G CA -0.326 44.363 45.100 -0.684 0.000 0.937 381 G HN 0.915 nan 8.290 nan 0.000 0.485 382 T N -2.845 111.484 114.554 -0.375 0.000 2.653 382 T HA 0.740 5.096 4.350 0.009 0.000 0.306 382 T C -0.842 173.800 174.700 -0.096 0.000 1.426 382 T CA -0.228 61.765 62.100 -0.178 0.000 1.008 382 T CB 1.113 69.966 68.868 -0.026 0.000 1.692 382 T HN 1.731 nan 8.240 nan 0.000 0.483 383 V N -0.625 119.267 119.914 -0.036 0.000 2.656 383 V HA 0.827 4.952 4.120 0.009 0.000 0.307 383 V C 0.316 176.403 176.094 -0.012 0.000 1.051 383 V CA -0.747 61.532 62.300 -0.037 0.000 0.893 383 V CB 1.109 32.913 31.823 -0.033 0.000 0.999 383 V HN 0.869 nan 8.190 nan 0.000 0.426 384 V N 3.590 123.476 119.914 -0.047 0.000 2.693 384 V HA 0.076 4.202 4.120 0.009 0.000 0.223 384 V C 1.962 178.031 176.094 -0.042 0.000 1.131 384 V CA 1.170 63.432 62.300 -0.064 0.000 1.177 384 V CB -0.339 31.345 31.823 -0.232 0.000 0.852 384 V HN 0.846 nan 8.190 nan 0.000 0.507 385 M N -0.007 119.565 119.600 -0.047 0.000 2.171 385 M HA 0.102 4.587 4.480 0.009 0.000 0.260 385 M C 1.430 177.725 176.300 -0.009 0.000 1.087 385 M CA 2.038 57.332 55.300 -0.009 0.000 1.154 385 M CB -0.092 32.513 32.600 0.009 0.000 1.331 385 M HN 0.507 nan 8.290 nan 0.000 0.431 386 N N -1.109 117.578 118.700 -0.021 0.000 1.903 386 N HA 0.109 4.854 4.740 0.009 0.000 0.220 386 N C -0.970 174.520 175.510 -0.034 0.000 1.427 386 N CA -0.067 52.971 53.050 -0.020 0.000 0.697 386 N CB 0.676 39.157 38.487 -0.010 0.000 1.097 386 N HN -0.082 nan 8.380 nan 0.000 0.564 387 R N 0.317 120.789 120.500 -0.048 0.000 2.428 387 R HA 0.456 4.802 4.340 0.009 0.000 0.294 387 R C -0.221 176.032 176.300 -0.079 0.000 1.000 387 R CA -0.412 55.651 56.100 -0.062 0.000 0.960 387 R CB 1.073 31.334 30.300 -0.066 0.000 1.076 387 R HN 0.164 nan 8.270 nan 0.000 0.475 388 T N -0.855 113.645 114.554 -0.089 0.000 2.728 388 T HA 0.454 4.810 4.350 0.009 0.000 0.296 388 T C -0.072 174.539 174.700 -0.148 0.000 0.940 388 T CA -0.735 61.297 62.100 -0.113 0.000 1.013 388 T CB 0.584 69.383 68.868 -0.115 0.000 0.912 388 T HN 0.138 nan 8.240 nan 0.000 0.484 389 V N 4.996 124.804 119.914 -0.177 0.000 2.427 389 V HA 0.511 4.637 4.120 0.009 0.000 0.286 389 V C -0.388 175.472 176.094 -0.389 0.000 1.034 389 V CA -0.852 61.281 62.300 -0.278 0.000 0.893 389 V CB 1.083 32.758 31.823 -0.247 0.000 0.982 389 V HN 0.767 nan 8.190 nan 0.000 0.452 390 L N 5.555 126.519 121.223 -0.433 0.000 2.356 390 L HA 0.601 4.946 4.340 0.009 0.000 0.277 390 L C -0.718 175.922 176.870 -0.383 0.000 0.996 390 L CA 0.046 54.679 54.840 -0.344 0.000 0.822 390 L CB 1.491 43.427 42.059 -0.205 0.000 1.256 390 L HN 0.404 nan 8.230 nan 0.000 0.413 391 F N 4.199 124.178 119.950 0.049 0.000 2.436 391 F HA 0.674 5.207 4.527 0.010 0.000 0.340 391 F C -0.302 175.532 175.800 0.056 0.000 1.113 391 F CA -0.610 57.441 58.000 0.085 0.000 1.022 391 F CB 1.297 40.391 39.000 0.156 0.000 1.128 391 F HN 0.113 nan 8.300 nan 0.000 0.466 392 L N 2.342 123.686 121.223 0.203 0.000 2.362 392 L HA 0.814 5.160 4.340 0.009 0.000 0.271 392 L C 0.244 177.168 176.870 0.091 0.000 1.002 392 L CA -0.515 54.384 54.840 0.099 0.000 0.818 392 L CB 1.966 44.034 42.059 0.015 0.000 1.298 392 L HN 0.684 nan 8.230 nan 0.000 0.420 393 G N -0.240 108.596 108.800 0.060 0.000 2.417 393 G HA2 0.718 4.684 3.960 0.009 0.000 0.334 393 G HA3 0.718 4.684 3.960 0.009 0.000 0.334 393 G C -0.662 174.243 174.900 0.008 0.000 1.150 393 G CA -0.298 44.839 45.100 0.061 0.000 0.923 393 G HN 0.598 nan 8.290 nan 0.000 0.485 394 T N -1.987 112.581 114.554 0.023 0.000 2.926 394 T HA 0.578 4.934 4.350 0.009 0.000 0.289 394 T C 1.287 176.016 174.700 0.047 0.000 1.054 394 T CA 0.067 62.164 62.100 -0.004 0.000 1.015 394 T CB 1.805 70.672 68.868 -0.002 0.000 1.167 394 T HN 0.686 nan 8.240 nan 0.000 0.526 395 G N -0.158 108.673 108.800 0.051 0.000 2.650 395 G HA2 0.029 3.995 3.960 0.009 0.000 0.214 395 G HA3 0.029 3.995 3.960 0.009 0.000 0.214 395 G C 0.717 175.661 174.900 0.073 0.000 1.136 395 G CA 0.298 45.438 45.100 0.066 0.000 0.789 395 G HN 0.905 nan 8.290 nan 0.000 0.536 396 D N -0.076 120.371 120.400 0.078 0.000 2.342 396 D HA 0.169 4.814 4.640 0.009 0.000 0.221 396 D C 1.535 177.880 176.300 0.075 0.000 1.101 396 D CA 0.356 54.401 54.000 0.075 0.000 0.837 396 D CB -0.020 40.828 40.800 0.080 0.000 0.938 396 D HN 0.318 nan 8.370 nan 0.000 0.508 397 G N 1.099 109.951 108.800 0.087 0.000 2.136 397 G HA2 -0.290 3.676 3.960 0.009 0.000 0.242 397 G HA3 -0.290 3.676 3.960 0.009 0.000 0.242 397 G C 0.039 175.012 174.900 0.121 0.000 0.989 397 G CA -0.151 45.011 45.100 0.105 0.000 0.682 397 G HN 0.415 nan 8.290 nan 0.000 0.522 398 Q N -0.687 119.176 119.800 0.105 0.000 2.227 398 Q HA 0.667 5.013 4.340 0.009 0.000 0.245 398 Q C -0.161 175.918 176.000 0.133 0.000 0.926 398 Q CA -0.674 55.197 55.803 0.114 0.000 0.895 398 Q CB 1.913 30.708 28.738 0.095 0.000 1.230 398 Q HN 0.222 nan 8.270 nan 0.000 0.450 399 L N 4.408 125.731 121.223 0.166 0.000 2.366 399 L HA 0.408 4.754 4.340 0.009 0.000 0.266 399 L C -1.168 175.812 176.870 0.184 0.000 1.010 399 L CA -0.206 54.741 54.840 0.177 0.000 0.879 399 L CB 0.215 42.393 42.059 0.198 0.000 1.228 399 L HN 0.653 nan 8.230 nan 0.000 0.439 400 L N 3.890 125.206 121.223 0.155 0.000 2.479 400 L HA 0.504 4.850 4.340 0.009 0.000 0.249 400 L C 0.020 176.994 176.870 0.173 0.000 1.178 400 L CA -0.537 54.386 54.840 0.139 0.000 0.811 400 L CB 0.704 42.813 42.059 0.083 0.000 1.187 400 L HN 0.507 nan 8.230 nan 0.000 0.480 401 K N 0.668 121.127 120.400 0.098 0.000 2.587 401 K HA 0.491 4.816 4.320 0.009 0.000 0.256 401 K C -1.734 174.840 176.600 -0.042 0.000 0.974 401 K CA -0.529 55.761 56.287 0.006 0.000 0.855 401 K CB 1.975 34.520 32.500 0.075 0.000 1.292 401 K HN 0.416 nan 8.250 nan 0.000 0.444 402 V N 2.086 121.932 119.914 -0.114 0.000 2.604 402 V HA 0.682 4.808 4.120 0.009 0.000 0.305 402 V C -0.560 175.460 176.094 -0.124 0.000 1.043 402 V CA -0.920 61.327 62.300 -0.088 0.000 0.888 402 V CB 1.585 33.365 31.823 -0.072 0.000 0.995 402 V HN 0.532 nan 8.190 nan 0.000 0.429 403 I N 4.811 125.330 120.570 -0.085 0.000 2.362 403 I HA 0.482 4.658 4.170 0.009 0.000 0.289 403 I C -0.333 175.738 176.117 -0.078 0.000 0.994 403 I CA -0.912 60.336 61.300 -0.088 0.000 1.158 403 I CB 1.214 39.180 38.000 -0.057 0.000 1.315 403 I HN 0.506 nan 8.210 nan 0.000 0.451 404 L N 5.107 126.277 121.223 -0.089 0.000 2.349 404 L HA 0.521 4.866 4.340 0.009 0.000 0.275 404 L C 1.193 178.024 176.870 -0.067 0.000 1.115 404 L CA 0.492 55.284 54.840 -0.080 0.000 0.820 404 L CB 1.011 43.014 42.059 -0.093 0.000 1.135 404 L HN 0.798 nan 8.230 nan 0.000 0.445 405 G N 1.201 109.965 108.800 -0.060 0.000 2.481 405 G HA2 0.074 4.040 3.960 0.009 0.000 0.251 405 G HA3 0.074 4.040 3.960 0.009 0.000 0.251 405 G C 0.627 175.497 174.900 -0.050 0.000 1.492 405 G CA -0.023 45.046 45.100 -0.051 0.000 1.060 405 G HN 0.658 nan 8.290 nan 0.000 0.553 406 E N -0.504 119.670 120.200 -0.044 0.000 2.112 406 E HA -0.029 4.326 4.350 0.009 0.000 0.190 406 E C 1.989 178.563 176.600 -0.044 0.000 0.979 406 E CA 0.989 57.365 56.400 -0.040 0.000 0.814 406 E CB -0.161 29.518 29.700 -0.034 0.000 0.762 406 E HN 0.552 nan 8.360 nan 0.000 0.460 407 N N -0.140 118.531 118.700 -0.048 0.000 2.313 407 N HA 0.088 4.834 4.740 0.009 0.000 0.207 407 N C -0.571 174.900 175.510 -0.065 0.000 1.141 407 N CA 0.051 53.069 53.050 -0.053 0.000 0.830 407 N CB 0.369 38.824 38.487 -0.053 0.000 1.008 407 N HN -0.004 nan 8.380 nan 0.000 0.481 408 L N -0.079 121.104 121.223 -0.066 0.000 4.232 408 L HA -0.220 4.126 4.340 0.009 0.000 0.415 408 L C 0.373 177.191 176.870 -0.087 0.000 1.168 408 L CA 0.945 55.738 54.840 -0.079 0.000 0.966 408 L CB -3.049 38.958 42.059 -0.087 0.000 2.052 408 L HN 0.287 nan 8.230 nan 0.000 0.887 409 T N -2.829 111.680 114.554 -0.076 0.000 2.919 409 T HA 0.493 4.849 4.350 0.009 0.000 0.302 409 T C 0.769 175.426 174.700 -0.072 0.000 1.031 409 T CA -0.065 61.989 62.100 -0.075 0.000 1.127 409 T CB 1.331 70.162 68.868 -0.063 0.000 0.952 409 T HN 0.454 nan 8.240 nan 0.000 0.540 410 S N 3.631 119.287 115.700 -0.073 0.000 2.499 410 S HA 0.292 4.768 4.470 0.009 0.000 0.275 410 S C -0.002 174.571 174.600 -0.045 0.000 1.257 410 S CA -1.060 57.102 58.200 -0.063 0.000 1.050 410 S CB 0.144 63.306 63.200 -0.064 0.000 0.937 410 S HN 0.720 nan 8.310 nan 0.000 0.490 411 N N 1.063 119.739 118.700 -0.039 0.000 2.458 411 N HA 0.263 5.009 4.740 0.009 0.000 0.271 411 N C -0.310 175.192 175.510 -0.012 0.000 1.210 411 N CA -0.525 52.509 53.050 -0.026 0.000 0.978 411 N CB 0.997 39.468 38.487 -0.026 0.000 1.206 411 N HN 0.634 nan 8.380 nan 0.000 0.536 412 C N 2.775 122.073 119.300 -0.002 0.000 2.590 412 C HA 0.089 4.554 4.460 0.009 0.000 0.411 412 C C -1.536 173.466 174.990 0.021 0.000 1.420 412 C CA -0.873 58.152 59.018 0.012 0.000 1.643 412 C CB -0.729 27.019 27.740 0.014 0.000 2.528 412 C HN 0.462 nan 8.230 nan 0.000 0.606 413 P HA 0.120 nan 4.420 nan 0.000 0.271 413 P C -0.527 176.807 177.300 0.058 0.000 1.220 413 P CA 0.310 63.436 63.100 0.044 0.000 0.768 413 P CB 0.629 32.368 31.700 0.066 0.000 0.848 414 E N 2.192 122.429 120.200 0.062 0.000 2.231 414 E HA 0.294 4.650 4.350 0.009 0.000 0.277 414 E C -0.862 175.795 176.600 0.095 0.000 0.999 414 E CA -0.926 55.519 56.400 0.075 0.000 0.827 414 E CB 1.302 31.052 29.700 0.083 0.000 1.101 414 E HN 0.154 nan 8.360 nan 0.000 0.393 415 V N 6.561 126.528 119.914 0.089 0.000 2.406 415 V HA 0.129 4.254 4.120 0.009 0.000 0.272 415 V C 1.018 177.180 176.094 0.112 0.000 1.043 415 V CA 0.009 62.369 62.300 0.099 0.000 0.915 415 V CB 0.948 32.816 31.823 0.074 0.000 0.988 415 V HN 0.733 nan 8.190 nan 0.000 0.466 416 I N 3.859 124.524 120.570 0.158 0.000 3.081 416 I HA 0.184 4.360 4.170 0.009 0.000 0.274 416 I C 0.258 176.515 176.117 0.233 0.000 1.178 416 I CA 0.751 62.162 61.300 0.184 0.000 1.460 416 I CB 0.258 38.390 38.000 0.221 0.000 1.137 416 I HN 0.567 nan 8.210 nan 0.000 0.443 417 Y N 0.622 120.965 120.300 0.070 0.000 2.609 417 Y HA 0.458 5.013 4.550 0.008 0.000 0.336 417 Y C -1.353 174.580 175.900 0.055 0.000 1.129 417 Y CA -1.066 57.068 58.100 0.056 0.000 1.040 417 Y CB 1.777 40.266 38.460 0.049 0.000 1.310 417 Y HN -0.097 nan 8.280 nan 0.000 0.460 418 E N 4.621 124.536 120.200 -0.476 0.000 2.263 418 E HA 0.381 4.737 4.350 0.009 0.000 0.268 418 E C -1.325 175.099 176.600 -0.293 0.000 0.884 418 E CA -0.860 55.407 56.400 -0.221 0.000 0.766 418 E CB 1.973 31.573 29.700 -0.166 0.000 1.196 418 E HN 0.404 nan 8.360 nan 0.000 0.416 419 I N 3.804 124.389 120.570 0.024 0.000 2.452 419 I HA 0.016 4.192 4.170 0.009 0.000 0.287 419 I C 1.464 177.593 176.117 0.021 0.000 1.079 419 I CA 0.338 61.700 61.300 0.104 0.000 1.387 419 I CB 0.526 38.621 38.000 0.158 0.000 1.404 419 I HN 0.549 nan 8.210 nan 0.000 0.522 420 K N 4.090 124.492 120.400 0.004 0.000 2.113 420 K HA -0.205 4.120 4.320 0.009 0.000 0.208 420 K C 0.899 177.508 176.600 0.016 0.000 1.047 420 K CA 1.567 57.851 56.287 -0.006 0.000 0.928 420 K CB 0.154 32.654 32.500 -0.001 0.000 0.716 420 K HN 0.487 nan 8.250 nan 0.000 0.446 421 E N 0.566 120.787 120.200 0.035 0.000 2.489 421 E HA -0.009 4.347 4.350 0.009 0.000 0.193 421 E C -0.558 176.067 176.600 0.041 0.000 1.057 421 E CA 0.129 56.550 56.400 0.035 0.000 0.866 421 E CB 0.083 29.806 29.700 0.038 0.000 0.916 421 E HN 0.170 nan 8.360 nan 0.000 0.500 422 E N -0.114 120.115 120.200 0.047 0.000 2.513 422 E HA -0.168 4.188 4.350 0.009 0.000 0.257 422 E C -0.761 175.878 176.600 0.065 0.000 1.098 422 E CA 0.558 56.990 56.400 0.053 0.000 0.752 422 E CB -2.066 27.660 29.700 0.044 0.000 1.324 422 E HN 0.122 nan 8.360 nan 0.000 0.403 423 T N 2.705 117.304 114.554 0.075 0.000 2.752 423 T HA 0.208 4.564 4.350 0.009 0.000 0.295 423 T C -1.893 172.865 174.700 0.097 0.000 0.923 423 T CA -0.998 61.150 62.100 0.081 0.000 1.112 423 T CB 0.730 69.646 68.868 0.080 0.000 0.884 423 T HN 0.054 nan 8.240 nan 0.000 0.525 424 P HA -0.016 nan 4.420 nan 0.000 0.264 424 P C -0.344 177.040 177.300 0.140 0.000 1.179 424 P CA -0.108 63.056 63.100 0.107 0.000 0.763 424 P CB 0.362 32.122 31.700 0.101 0.000 0.806 425 V N 4.907 124.906 119.914 0.141 0.000 2.530 425 V HA 0.063 4.189 4.120 0.009 0.000 0.282 425 V C 0.880 177.118 176.094 0.240 0.000 1.048 425 V CA -0.392 62.012 62.300 0.174 0.000 0.997 425 V CB -0.377 31.528 31.823 0.136 0.000 0.987 425 V HN 0.398 nan 8.190 nan 0.000 0.477 426 F N 5.776 125.786 119.950 0.100 0.000 2.629 426 F HA 0.035 4.568 4.527 0.010 0.000 0.377 426 F C 1.374 177.258 175.800 0.140 0.000 1.101 426 F CA -0.717 57.366 58.000 0.139 0.000 1.301 426 F CB 0.208 39.257 39.000 0.081 0.000 1.062 426 F HN 0.680 nan 8.300 nan 0.000 0.583 427 Y N 1.836 121.884 120.300 -0.420 0.000 2.651 427 Y HA 0.035 4.590 4.550 0.010 0.000 0.293 427 Y C 0.104 175.870 175.900 -0.222 0.000 1.151 427 Y CA 0.329 58.248 58.100 -0.302 0.000 1.362 427 Y CB -0.513 37.752 38.460 -0.326 0.000 0.973 427 Y HN 0.288 nan 8.280 nan 0.000 0.561 428 K N 1.849 121.853 120.400 -0.659 0.000 2.323 428 K HA 0.508 4.834 4.320 0.009 0.000 0.259 428 K C -1.414 175.164 176.600 -0.037 0.000 0.947 428 K CA -0.640 55.421 56.287 -0.377 0.000 0.819 428 K CB 2.071 34.286 32.500 -0.474 0.000 1.109 428 K HN 0.137 nan 8.250 nan 0.000 0.429 429 L N 3.811 125.023 121.223 -0.018 0.000 2.294 429 L HA 0.382 4.727 4.340 0.009 0.000 0.283 429 L C -0.582 176.194 176.870 -0.157 0.000 1.015 429 L CA -1.123 53.705 54.840 -0.021 0.000 0.831 429 L CB 1.579 43.664 42.059 0.043 0.000 1.217 429 L HN 0.257 nan 8.230 nan 0.000 0.420 430 V N 4.959 124.801 119.914 -0.120 0.000 2.407 430 V HA 0.393 4.519 4.120 0.009 0.000 0.278 430 V C -1.963 174.013 176.094 -0.198 0.000 1.037 430 V CA -1.624 60.585 62.300 -0.151 0.000 0.900 430 V CB 1.382 33.211 31.823 0.009 0.000 0.983 430 V HN 0.562 nan 8.190 nan 0.000 0.459 431 P HA 0.170 nan 4.420 nan 0.000 0.282 431 P C -0.884 176.376 177.300 -0.068 0.000 1.249 431 P CA -0.387 62.525 63.100 -0.314 0.000 0.806 431 P CB 1.130 32.603 31.700 -0.380 0.000 0.984 432 D N 3.958 124.276 120.400 -0.137 0.000 2.358 432 D HA 0.046 4.692 4.640 0.009 0.000 0.258 432 D C -1.091 175.193 176.300 -0.027 0.000 1.223 432 D CA -2.040 51.932 54.000 -0.047 0.000 0.886 432 D CB 0.643 41.294 40.800 -0.249 0.000 1.120 432 D HN 0.218 nan 8.370 nan 0.000 0.482 433 P HA -0.094 nan 4.420 nan 0.000 0.223 433 P C 1.235 178.460 177.300 -0.126 0.000 1.151 433 P CA 0.331 63.417 63.100 -0.024 0.000 0.787 433 P CB 0.675 32.401 31.700 0.044 0.000 0.788 434 V N -0.445 119.313 119.914 -0.260 0.000 2.403 434 V HA 0.055 4.180 4.120 0.009 0.000 0.239 434 V C 0.885 176.872 176.094 -0.178 0.000 1.041 434 V CA 1.378 63.498 62.300 -0.300 0.000 1.051 434 V CB -0.671 30.813 31.823 -0.565 0.000 0.704 434 V HN -0.017 nan 8.190 nan 0.000 0.472 435 K N 1.562 121.880 120.400 -0.136 0.000 2.281 435 K HA 0.337 4.663 4.320 0.009 0.000 0.272 435 K C 0.624 177.133 176.600 -0.151 0.000 1.048 435 K CA 0.030 56.260 56.287 -0.095 0.000 0.898 435 K CB 0.160 32.722 32.500 0.104 0.000 1.128 435 K HN 0.270 nan 8.250 nan 0.000 0.460 436 N N 2.225 120.813 118.700 -0.186 0.000 2.443 436 N HA -0.125 4.621 4.740 0.009 0.000 0.184 436 N C 1.096 176.425 175.510 -0.301 0.000 1.037 436 N CA 0.712 53.656 53.050 -0.177 0.000 0.896 436 N CB -0.185 38.225 38.487 -0.129 0.000 0.959 436 N HN 0.584 nan 8.380 nan 0.000 0.442 437 I N -3.084 117.184 120.570 -0.504 0.000 3.684 437 I HA 0.114 4.289 4.170 0.009 0.000 0.304 437 I C -0.422 175.239 176.117 -0.760 0.000 1.278 437 I CA 0.111 60.929 61.300 -0.803 0.000 1.272 437 I CB -0.091 37.209 38.000 -1.167 0.000 1.029 437 I HN -0.146 nan 8.210 nan 0.000 0.458 438 Y N 1.237 121.310 120.300 -0.379 0.000 2.549 438 Y HA 0.730 5.286 4.550 0.009 0.000 0.339 438 Y C -0.453 175.148 175.900 -0.498 0.000 1.053 438 Y CA -1.612 56.234 58.100 -0.423 0.000 1.105 438 Y CB 1.942 40.130 38.460 -0.453 0.000 1.258 438 Y HN -0.046 nan 8.280 nan 0.000 0.478 439 I N 0.883 121.238 120.570 -0.358 0.000 2.644 439 I HA 0.404 4.580 4.170 0.009 0.000 0.291 439 I C -2.119 173.730 176.117 -0.447 0.000 1.180 439 I CA -1.031 59.991 61.300 -0.464 0.000 1.040 439 I CB 1.095 38.749 38.000 -0.578 0.000 1.255 439 I HN 0.386 nan 8.210 nan 0.000 0.422 440 Y N 7.130 127.316 120.300 -0.190 0.000 2.404 440 Y HA 0.503 5.058 4.550 0.008 0.000 0.344 440 Y C -0.142 175.680 175.900 -0.130 0.000 0.995 440 Y CA -0.193 57.816 58.100 -0.151 0.000 1.201 440 Y CB 1.061 39.447 38.460 -0.123 0.000 1.151 440 Y HN 0.494 nan 8.280 nan 0.000 0.517 441 L N 3.853 125.089 121.223 0.023 0.000 2.295 441 L HA 0.633 4.978 4.340 0.009 0.000 0.285 441 L C -0.547 176.357 176.870 0.055 0.000 1.035 441 L CA -0.096 54.754 54.840 0.017 0.000 0.806 441 L CB 1.062 43.099 42.059 -0.038 0.000 1.214 441 L HN 0.551 nan 8.230 nan 0.000 0.426 442 T N 4.228 118.838 114.554 0.094 0.000 2.824 442 T HA 0.800 5.155 4.350 0.009 0.000 0.282 442 T C -0.837 173.941 174.700 0.129 0.000 0.993 442 T CA -0.500 61.645 62.100 0.076 0.000 0.967 442 T CB 1.622 70.495 68.868 0.009 0.000 0.960 442 T HN 0.719 nan 8.240 nan 0.000 0.441 443 A N 1.949 124.822 122.820 0.088 0.000 2.456 443 A HA 0.801 5.127 4.320 0.009 0.000 0.288 443 A C 0.794 178.424 177.584 0.077 0.000 1.042 443 A CA 0.039 52.146 52.037 0.117 0.000 0.738 443 A CB 0.747 19.819 19.000 0.121 0.000 1.266 443 A HN 1.375 nan 8.150 nan 0.000 0.407 444 G N 2.640 111.492 108.800 0.087 0.000 2.815 444 G HA2 -0.350 3.616 3.960 0.009 0.000 0.326 444 G HA3 -0.350 3.616 3.960 0.009 0.000 0.326 444 G C 0.676 175.586 174.900 0.018 0.000 1.191 444 G CA 1.124 46.260 45.100 0.060 0.000 0.965 444 G HN 1.093 nan 8.290 nan 0.000 0.564 445 K N 1.503 121.908 120.400 0.008 0.000 2.469 445 K HA 0.362 4.688 4.320 0.009 0.000 0.204 445 K C -0.013 176.572 176.600 -0.025 0.000 1.047 445 K CA 0.068 56.346 56.287 -0.015 0.000 1.072 445 K CB 1.230 33.708 32.500 -0.036 0.000 0.863 445 K HN 0.583 nan 8.250 nan 0.000 0.530 446 E N 1.054 121.259 120.200 0.009 0.000 2.288 446 E HA 0.383 4.739 4.350 0.009 0.000 0.268 446 E C -1.165 175.483 176.600 0.081 0.000 0.885 446 E CA -0.982 55.439 56.400 0.036 0.000 0.767 446 E CB 2.992 32.699 29.700 0.013 0.000 1.220 446 E HN -0.192 nan 8.360 nan 0.000 0.427 447 V N 2.720 122.722 119.914 0.147 0.000 2.407 447 V HA 0.437 4.563 4.120 0.009 0.000 0.291 447 V C -0.332 175.823 176.094 0.101 0.000 1.018 447 V CA -0.723 61.644 62.300 0.113 0.000 0.842 447 V CB 1.244 33.124 31.823 0.095 0.000 0.996 447 V HN 0.555 nan 8.190 nan 0.000 0.426 448 R N 3.042 123.568 120.500 0.043 0.000 2.637 448 R HA 0.590 4.936 4.340 0.009 0.000 0.291 448 R C -0.290 175.975 176.300 -0.060 0.000 0.963 448 R CA -0.915 55.162 56.100 -0.038 0.000 0.901 448 R CB 2.468 32.662 30.300 -0.177 0.000 1.160 448 R HN 0.546 nan 8.270 nan 0.000 0.457 449 R N 3.082 123.502 120.500 -0.133 0.000 2.565 449 R HA 0.212 4.558 4.340 0.009 0.000 0.286 449 R C -0.718 175.410 176.300 -0.287 0.000 1.256 449 R CA -0.435 55.477 56.100 -0.313 0.000 1.238 449 R CB -0.015 30.018 30.300 -0.445 0.000 1.153 449 R HN 0.393 nan 8.270 nan 0.000 0.553 450 I N 2.509 122.930 120.570 -0.248 0.000 2.472 450 I HA 0.207 4.383 4.170 0.009 0.000 0.290 450 I C 0.881 177.000 176.117 0.004 0.000 1.016 450 I CA -0.244 60.956 61.300 -0.166 0.000 1.348 450 I CB 1.035 38.886 38.000 -0.249 0.000 1.417 450 I HN 0.307 nan 8.210 nan 0.000 0.521 451 R N 4.025 124.574 120.500 0.081 0.000 2.442 451 R HA 0.147 4.493 4.340 0.009 0.000 0.291 451 R C 1.289 177.568 176.300 -0.036 0.000 1.069 451 R CA -0.178 55.933 56.100 0.018 0.000 1.022 451 R CB 0.775 31.126 30.300 0.085 0.000 0.976 451 R HN 0.670 nan 8.270 nan 0.000 0.443 452 V N 1.486 121.300 119.914 -0.168 0.000 2.546 452 V HA -0.017 4.108 4.120 0.009 0.000 0.254 452 V C 0.586 176.758 176.094 0.129 0.000 1.076 452 V CA 1.548 63.776 62.300 -0.121 0.000 1.087 452 V CB -0.935 30.673 31.823 -0.359 0.000 0.674 452 V HN 0.743 nan 8.190 nan 0.000 0.470 453 A N 0.685 123.618 122.820 0.189 0.000 2.594 453 A HA 0.670 4.995 4.320 0.009 0.000 0.296 453 A C -1.211 176.505 177.584 0.219 0.000 1.056 453 A CA -0.367 51.819 52.037 0.248 0.000 0.693 453 A CB 0.679 19.867 19.000 0.314 0.000 1.278 453 A HN 0.562 nan 8.150 nan 0.000 0.408 454 N N 0.939 119.711 118.700 0.119 0.000 2.699 454 N HA 0.375 5.121 4.740 0.009 0.000 0.232 454 N C 0.279 175.768 175.510 -0.034 0.000 1.027 454 N CA -0.502 52.573 53.050 0.041 0.000 0.920 454 N CB 0.611 39.124 38.487 0.043 0.000 1.148 454 N HN 0.442 nan 8.380 nan 0.000 0.509 455 c N 0.391 118.922 118.600 -0.115 0.000 2.500 455 c HA 0.055 4.631 4.570 0.009 0.000 0.273 455 c C 2.162 176.212 174.090 -0.066 0.000 1.428 455 c CA -0.084 56.187 56.329 -0.096 0.000 1.766 455 c CB -1.572 40.799 42.510 -0.232 0.000 1.817 455 c HN 0.790 nan 8.230 nan 0.000 0.543 456 N N 2.043 120.696 118.700 -0.078 0.000 2.520 456 N HA -0.121 4.625 4.740 0.009 0.000 0.185 456 N C 1.780 177.255 175.510 -0.058 0.000 1.068 456 N CA 0.839 53.862 53.050 -0.045 0.000 0.911 456 N CB -0.251 38.218 38.487 -0.029 0.000 0.961 456 N HN 0.688 nan 8.380 nan 0.000 0.446 457 K N -1.520 118.795 120.400 -0.141 0.000 2.504 457 K HA -0.063 4.263 4.320 0.009 0.000 0.195 457 K C -0.297 176.117 176.600 -0.310 0.000 1.036 457 K CA 0.718 56.860 56.287 -0.241 0.000 0.984 457 K CB -0.107 32.186 32.500 -0.345 0.000 0.788 457 K HN 0.235 nan 8.250 nan 0.000 0.488 458 H N 0.812 119.895 119.070 0.021 0.000 2.505 458 H HA 0.251 4.813 4.556 0.010 0.000 0.338 458 H C -0.181 175.183 175.328 0.061 0.000 1.057 458 H CA -0.743 55.325 56.048 0.033 0.000 1.202 458 H CB 2.219 32.000 29.762 0.030 0.000 1.466 458 H HN -0.042 nan 8.280 nan 0.000 0.499 459 K N 0.827 121.341 120.400 0.189 0.000 2.262 459 K HA 0.054 4.380 4.320 0.009 0.000 0.200 459 K C 0.872 177.579 176.600 0.179 0.000 1.058 459 K CA 0.163 56.547 56.287 0.161 0.000 0.974 459 K CB 0.485 33.048 32.500 0.105 0.000 0.910 459 K HN 0.301 nan 8.250 nan 0.000 0.484 460 S N -0.048 115.706 115.700 0.090 0.000 2.565 460 S HA 0.032 4.508 4.470 0.009 0.000 0.274 460 S C 1.415 175.926 174.600 -0.149 0.000 1.309 460 S CA -0.617 57.568 58.200 -0.026 0.000 1.043 460 S CB 0.718 63.882 63.200 -0.060 0.000 0.939 460 S HN 0.408 nan 8.310 nan 0.000 0.504 461 c N 4.161 122.473 118.600 -0.481 0.000 2.413 461 c HA -0.063 4.513 4.570 0.009 0.000 0.276 461 c C 2.791 176.629 174.090 -0.420 0.000 1.236 461 c CA 1.829 57.648 56.329 -0.851 0.000 1.735 461 c CB -1.629 40.017 42.510 -1.440 0.000 2.031 461 c HN 0.964 nan 8.230 nan 0.000 0.474 462 S N -0.138 115.361 115.700 -0.335 0.000 2.383 462 S HA -0.182 4.293 4.470 0.009 0.000 0.227 462 S C 1.826 176.301 174.600 -0.208 0.000 1.026 462 S CA 1.456 59.515 58.200 -0.235 0.000 0.981 462 S CB -0.563 62.523 63.200 -0.190 0.000 0.818 462 S HN 0.815 nan 8.310 nan 0.000 0.472 463 E N -0.072 120.013 120.200 -0.193 0.000 2.160 463 E HA -0.212 4.143 4.350 0.009 0.000 0.195 463 E C 2.114 178.451 176.600 -0.438 0.000 0.991 463 E CA 1.196 57.473 56.400 -0.205 0.000 0.810 463 E CB -0.119 29.532 29.700 -0.082 0.000 0.742 463 E HN 0.526 nan 8.360 nan 0.000 0.466 464 c N -0.220 118.166 118.600 -0.356 0.000 2.564 464 c HA 0.149 4.725 4.570 0.009 0.000 0.281 464 c C 2.356 176.287 174.090 -0.265 0.000 1.314 464 c CA -0.034 56.052 56.329 -0.404 0.000 1.706 464 c CB -0.858 41.618 42.510 -0.056 0.000 2.109 464 c HN 0.454 nan 8.230 nan 0.000 0.502 465 L N 1.542 122.652 121.223 -0.189 0.000 2.633 465 L HA -0.027 4.318 4.340 0.009 0.000 0.235 465 L C 2.245 179.030 176.870 -0.141 0.000 1.163 465 L CA 1.606 56.355 54.840 -0.152 0.000 0.859 465 L CB -0.649 41.321 42.059 -0.148 0.000 0.973 465 L HN 0.648 nan 8.230 nan 0.000 0.451 466 T N -4.792 109.660 114.554 -0.168 0.000 3.037 466 T HA 0.175 4.530 4.350 0.009 0.000 0.251 466 T C 1.805 176.438 174.700 -0.112 0.000 1.079 466 T CA 0.479 62.501 62.100 -0.131 0.000 1.067 466 T CB 0.261 69.051 68.868 -0.129 0.000 0.948 466 T HN 0.219 nan 8.240 nan 0.000 0.496 467 A N 1.608 124.343 122.820 -0.142 0.000 2.168 467 A HA 0.270 4.596 4.320 0.009 0.000 0.215 467 A C 1.196 178.766 177.584 -0.023 0.000 1.152 467 A CA 0.862 52.859 52.037 -0.068 0.000 0.716 467 A CB -1.098 17.877 19.000 -0.042 0.000 0.794 467 A HN 0.553 nan 8.150 nan 0.000 0.465 468 T N 0.235 114.764 114.554 -0.041 0.000 3.501 468 T HA -0.164 4.192 4.350 0.009 0.000 0.411 468 T C -0.682 174.019 174.700 0.002 0.000 0.766 468 T CA 1.272 63.356 62.100 -0.027 0.000 2.129 468 T CB -1.454 67.396 68.868 -0.030 0.000 1.711 468 T HN 0.725 nan 8.240 nan 0.000 0.712 469 D N 1.552 121.966 120.400 0.023 0.000 2.469 469 D HA 0.398 5.044 4.640 0.009 0.000 0.251 469 D C -0.987 175.357 176.300 0.073 0.000 1.173 469 D CA -2.168 51.876 54.000 0.074 0.000 0.882 469 D CB 1.524 42.411 40.800 0.145 0.000 1.129 469 D HN 0.031 nan 8.370 nan 0.000 0.549 470 P HA -0.199 nan 4.420 nan 0.000 0.222 470 P C 0.687 178.018 177.300 0.052 0.000 1.142 470 P CA 1.102 64.185 63.100 -0.029 0.000 0.788 470 P CB 0.295 31.899 31.700 -0.160 0.000 0.767 471 H N -1.239 118.001 119.070 0.284 0.000 2.465 471 H HA 0.096 4.658 4.556 0.010 0.000 0.289 471 H C 0.768 176.423 175.328 0.545 0.000 1.022 471 H CA 0.205 56.518 56.048 0.441 0.000 1.340 471 H CB -0.334 29.714 29.762 0.476 0.000 1.437 471 H HN 0.183 nan 8.280 nan 0.000 0.539 472 c N 1.535 120.377 118.600 0.402 0.000 2.388 472 c HA 0.689 5.265 4.570 0.009 0.000 0.362 472 c C 1.127 175.224 174.090 0.011 0.000 1.266 472 c CA -0.441 56.004 56.329 0.192 0.000 2.028 472 c CB 0.741 43.309 42.510 0.098 0.000 2.440 472 c HN 0.552 nan 8.230 nan 0.000 0.547 473 G N 1.680 110.354 108.800 -0.211 0.000 2.760 473 G HA2 0.460 4.426 3.960 0.009 0.000 0.296 473 G HA3 0.460 4.426 3.960 0.009 0.000 0.296 473 G C -1.483 173.025 174.900 -0.653 0.000 1.427 473 G CA -0.436 44.129 45.100 -0.892 0.000 1.109 473 G HN 0.781 nan 8.290 nan 0.000 0.553 474 W N 2.138 123.126 121.300 -0.522 0.000 2.193 474 W HA 0.434 5.100 4.660 0.011 0.000 0.338 474 W C 0.342 176.722 176.519 -0.231 0.000 1.310 474 W CA -0.221 56.957 57.345 -0.277 0.000 1.243 474 W CB 1.038 30.392 29.460 -0.178 0.000 1.165 474 W HN 0.523 nan 8.180 nan 0.000 0.566 475 c N 7.029 125.135 118.600 -0.823 0.000 2.264 475 c HA 0.221 4.797 4.570 0.009 0.000 0.324 475 c C 0.315 173.803 174.090 -1.003 0.000 1.267 475 c CA -0.755 55.231 56.329 -0.572 0.000 1.618 475 c CB -0.816 41.524 42.510 -0.283 0.000 2.278 475 c HN 0.639 nan 8.230 nan 0.000 0.499 476 H N 3.471 122.189 119.070 -0.587 0.000 2.794 476 H HA 0.292 4.854 4.556 0.010 0.000 0.256 476 H C 0.942 176.146 175.328 -0.206 0.000 1.637 476 H CA 0.945 56.756 56.048 -0.395 0.000 1.222 476 H CB 0.306 30.107 29.762 0.064 0.000 1.545 476 H HN 0.749 nan 8.280 nan 0.000 0.518 477 S N 0.434 115.926 115.700 -0.347 0.000 3.448 477 S HA 0.067 4.543 4.470 0.009 0.000 0.254 477 S C 0.949 175.425 174.600 -0.207 0.000 1.102 477 S CA 0.068 58.135 58.200 -0.222 0.000 0.797 477 S CB -0.033 63.097 63.200 -0.116 0.000 0.891 477 S HN 0.462 nan 8.310 nan 0.000 0.474 478 L N 0.109 121.199 121.223 -0.222 0.000 3.066 478 L HA 0.611 4.957 4.340 0.009 0.000 0.265 478 L C -0.457 176.314 176.870 -0.163 0.000 1.232 478 L CA -0.438 54.310 54.840 -0.152 0.000 1.031 478 L CB 0.423 42.421 42.059 -0.102 0.000 1.379 478 L HN 0.047 nan 8.230 nan 0.000 0.563 479 Q N 1.344 120.978 119.800 -0.276 0.000 2.443 479 Q HA -0.203 4.143 4.340 0.009 0.000 0.337 479 Q C -0.340 175.613 176.000 -0.078 0.000 1.401 479 Q CA 1.144 56.863 55.803 -0.140 0.000 0.943 479 Q CB -1.201 27.612 28.738 0.125 0.000 1.177 479 Q HN 0.882 nan 8.270 nan 0.000 0.394 480 R N -0.880 119.404 120.500 -0.360 0.000 2.710 480 R HA 0.539 4.885 4.340 0.009 0.000 0.270 480 R C -1.384 174.755 176.300 -0.268 0.000 1.021 480 R CA -0.635 55.376 56.100 -0.148 0.000 0.889 480 R CB 1.541 31.793 30.300 -0.081 0.000 1.243 480 R HN 0.309 nan 8.270 nan 0.000 0.464 481 c N 2.703 121.288 118.600 -0.024 0.000 2.273 481 c HA 0.752 5.328 4.570 0.009 0.000 0.328 481 c C 0.191 174.242 174.090 -0.064 0.000 1.275 481 c CA 0.262 56.589 56.329 -0.004 0.000 1.704 481 c CB -0.291 42.308 42.510 0.148 0.000 2.326 481 c HN 0.816 nan 8.230 nan 0.000 0.517 482 T N 2.217 116.743 114.554 -0.046 0.000 2.598 482 T HA 0.622 4.977 4.350 0.009 0.000 0.289 482 T C -0.506 174.274 174.700 0.133 0.000 1.056 482 T CA -0.522 61.503 62.100 -0.125 0.000 1.088 482 T CB 0.341 69.181 68.868 -0.048 0.000 1.519 482 T HN 0.243 nan 8.240 nan 0.000 0.488 483 F N 1.316 121.451 119.950 0.309 0.000 2.375 483 F HA 0.488 5.020 4.527 0.008 0.000 0.317 483 F C 2.282 177.978 175.800 -0.172 0.000 1.124 483 F CA -1.004 57.117 58.000 0.201 0.000 1.050 483 F CB 0.428 39.427 39.000 -0.002 0.000 1.314 483 F HN 0.584 nan 8.300 nan 0.000 0.511 484 Q N 0.382 119.811 119.800 -0.618 0.000 2.291 484 Q HA -0.035 4.310 4.340 0.009 0.000 0.205 484 Q C 2.026 177.765 176.000 -0.436 0.000 0.970 484 Q CA 1.154 56.285 55.803 -1.121 0.000 0.876 484 Q CB -0.248 27.733 28.738 -1.261 0.000 0.935 484 Q HN 1.010 nan 8.270 nan 0.000 0.455 485 G N 0.874 109.551 108.800 -0.205 0.000 2.453 485 G HA2 -0.168 3.797 3.960 0.009 0.000 0.215 485 G HA3 -0.168 3.797 3.960 0.009 0.000 0.215 485 G C 0.573 175.462 174.900 -0.019 0.000 1.147 485 G CA 0.489 45.526 45.100 -0.105 0.000 0.802 485 G HN 0.241 nan 8.290 nan 0.000 0.535 486 D N -0.935 119.499 120.400 0.057 0.000 2.277 486 D HA 0.054 4.699 4.640 0.009 0.000 0.208 486 D C 0.887 177.220 176.300 0.055 0.000 0.962 486 D CA 0.285 54.330 54.000 0.075 0.000 0.865 486 D CB 0.180 41.056 40.800 0.126 0.000 0.939 486 D HN 0.233 nan 8.370 nan 0.000 0.510 487 c N 0.735 119.373 118.600 0.065 0.000 2.355 487 c HA 0.390 4.965 4.570 0.009 0.000 0.332 487 c C 0.352 174.488 174.090 0.077 0.000 1.255 487 c CA -0.871 55.517 56.329 0.099 0.000 1.792 487 c CB 0.437 43.116 42.510 0.282 0.000 2.300 487 c HN -0.011 nan 8.230 nan 0.000 0.515 488 V N 6.818 126.772 119.914 0.066 0.000 2.399 488 V HA -0.016 4.110 4.120 0.009 0.000 0.245 488 V C 0.842 176.999 176.094 0.105 0.000 1.089 488 V CA 0.485 62.821 62.300 0.060 0.000 1.196 488 V CB -1.086 30.755 31.823 0.030 0.000 1.221 488 V HN 0.894 nan 8.190 nan 0.000 0.482 489 H N 3.426 122.494 119.070 -0.003 0.000 3.563 489 H HA 0.185 4.747 4.556 0.009 0.000 0.219 489 H C 0.946 176.288 175.328 0.022 0.000 1.771 489 H CA -0.054 56.002 56.048 0.014 0.000 1.458 489 H CB -0.512 29.210 29.762 -0.067 0.000 1.796 489 H HN 0.667 nan 8.280 nan 0.000 0.652 490 S N 1.157 116.815 115.700 -0.069 0.000 2.596 490 S HA -0.028 4.448 4.470 0.009 0.000 0.260 490 S C 1.384 175.895 174.600 -0.149 0.000 1.336 490 S CA -0.437 57.718 58.200 -0.074 0.000 0.993 490 S CB 1.123 64.307 63.200 -0.027 0.000 0.923 490 S HN 0.700 nan 8.310 nan 0.000 0.567 491 E N 0.915 121.064 120.200 -0.086 0.000 2.251 491 E HA -0.006 4.350 4.350 0.009 0.000 0.194 491 E C 1.552 178.126 176.600 -0.044 0.000 0.964 491 E CA 0.761 57.114 56.400 -0.078 0.000 0.868 491 E CB -0.158 29.517 29.700 -0.041 0.000 0.828 491 E HN 0.700 nan 8.360 nan 0.000 0.481 492 N N -0.140 118.545 118.700 -0.025 0.000 2.106 492 N HA -0.090 4.656 4.740 0.009 0.000 0.188 492 N C 0.189 175.700 175.510 0.001 0.000 1.029 492 N CA 0.678 53.723 53.050 -0.008 0.000 0.848 492 N CB -0.052 38.434 38.487 -0.001 0.000 1.007 492 N HN 0.117 nan 8.380 nan 0.000 0.423 493 L N 0.606 121.831 121.223 0.003 0.000 2.318 493 L HA 0.361 4.707 4.340 0.009 0.000 0.277 493 L C -0.880 176.004 176.870 0.023 0.000 1.008 493 L CA -0.817 54.042 54.840 0.031 0.000 0.846 493 L CB 1.458 43.549 42.059 0.054 0.000 1.220 493 L HN 0.005 nan 8.230 nan 0.000 0.423 494 E N 2.537 122.752 120.200 0.025 0.000 1.774 494 E HA 0.074 4.429 4.350 0.009 0.000 0.265 494 E C 0.626 177.290 176.600 0.106 0.000 1.207 494 E CA 0.356 56.770 56.400 0.023 0.000 1.054 494 E CB 0.062 29.781 29.700 0.031 0.000 1.074 494 E HN 0.694 nan 8.360 nan 0.000 0.433 495 N N 2.159 120.936 118.700 0.128 0.000 2.080 495 N HA -0.087 4.659 4.740 0.009 0.000 0.189 495 N C -0.420 175.233 175.510 0.239 0.000 1.036 495 N CA 0.758 53.919 53.050 0.184 0.000 0.846 495 N CB -0.203 38.362 38.487 0.129 0.000 1.015 495 N HN 0.470 nan 8.380 nan 0.000 0.423 496 W N 1.495 122.877 121.300 0.137 0.000 2.303 496 W HA 0.339 5.005 4.660 0.009 0.000 0.318 496 W C -0.667 175.962 176.519 0.185 0.000 1.362 496 W CA -0.334 57.118 57.345 0.178 0.000 1.234 496 W CB 0.246 29.885 29.460 0.299 0.000 1.248 496 W HN -0.062 nan 8.180 nan 0.000 0.546 497 L N 7.705 128.817 121.223 -0.186 0.000 2.298 497 L HA 0.334 4.680 4.340 0.009 0.000 0.284 497 L C -0.084 176.527 176.870 -0.432 0.000 1.013 497 L CA -0.559 54.197 54.840 -0.140 0.000 0.824 497 L CB 0.418 42.468 42.059 -0.014 0.000 1.221 497 L HN 0.574 nan 8.230 nan 0.000 0.418 498 D N 3.982 124.255 120.400 -0.213 0.000 2.414 498 D HA 0.125 4.771 4.640 0.009 0.000 0.259 498 D C 0.965 177.183 176.300 -0.137 0.000 1.269 498 D CA -0.273 53.605 54.000 -0.204 0.000 1.028 498 D CB 0.720 41.586 40.800 0.109 0.000 1.093 498 D HN 0.363 nan 8.370 nan 0.000 0.545 499 I N -0.500 120.025 120.570 -0.074 0.000 3.226 499 I HA -0.063 4.113 4.170 0.009 0.000 0.277 499 I C 1.780 177.877 176.117 -0.034 0.000 1.243 499 I CA 0.367 61.631 61.300 -0.060 0.000 1.459 499 I CB -1.343 36.632 38.000 -0.042 0.000 1.093 499 I HN 0.305 nan 8.210 nan 0.000 0.453 500 S N 1.639 117.335 115.700 -0.007 0.000 2.402 500 S HA -0.160 4.316 4.470 0.009 0.000 0.233 500 S C 2.147 176.741 174.600 -0.011 0.000 1.030 500 S CA 1.876 60.076 58.200 0.001 0.000 1.003 500 S CB -0.200 63.016 63.200 0.026 0.000 0.813 500 S HN 0.676 nan 8.310 nan 0.000 0.477 501 S N 0.255 115.943 115.700 -0.020 0.000 2.441 501 S HA 0.488 4.963 4.470 0.009 0.000 0.224 501 S C 1.228 175.801 174.600 -0.046 0.000 1.043 501 S CA 0.318 58.501 58.200 -0.029 0.000 0.948 501 S CB -0.506 62.678 63.200 -0.027 0.000 0.810 501 S HN 0.899 nan 8.310 nan 0.000 0.504 502 G N 0.867 109.631 108.800 -0.059 0.000 2.685 502 G HA2 0.183 4.148 3.960 0.009 0.000 0.387 502 G HA3 0.183 4.148 3.960 0.009 0.000 0.387 502 G C 0.573 175.417 174.900 -0.093 0.000 1.324 502 G CA -0.236 44.820 45.100 -0.073 0.000 0.878 502 G HN 1.138 nan 8.290 nan 0.000 0.527 503 A N -0.309 122.449 122.820 -0.103 0.000 2.168 503 A HA 0.203 4.528 4.320 0.009 0.000 0.215 503 A C 1.791 179.304 177.584 -0.120 0.000 1.152 503 A CA 2.027 53.987 52.037 -0.129 0.000 0.716 503 A CB -0.468 18.454 19.000 -0.130 0.000 0.794 503 A HN 1.395 nan 8.150 nan 0.000 0.465 504 K N -0.770 119.575 120.400 -0.093 0.000 3.322 504 K HA 0.204 4.529 4.320 0.009 0.000 0.291 504 K C 0.439 176.991 176.600 -0.080 0.000 1.131 504 K CA 0.045 56.283 56.287 -0.081 0.000 1.185 504 K CB 0.162 32.624 32.500 -0.063 0.000 1.338 504 K HN 0.094 nan 8.250 nan 0.000 0.380 505 K N 0.106 120.446 120.400 -0.100 0.000 2.552 505 K HA 0.095 4.420 4.320 0.009 0.000 0.196 505 K C -0.470 176.053 176.600 -0.129 0.000 1.785 505 K CA -0.207 56.024 56.287 -0.094 0.000 1.076 505 K CB 0.047 32.504 32.500 -0.073 0.000 1.559 505 K HN 0.367 nan 8.250 nan 0.000 0.591 506 c N 2.501 120.995 118.600 -0.178 0.000 2.746 506 c HA 0.028 4.604 4.570 0.009 0.000 0.403 506 c C -0.648 173.303 174.090 -0.233 0.000 1.270 506 c CA -0.738 55.428 56.329 -0.273 0.000 1.978 506 c CB 0.516 42.812 42.510 -0.357 0.000 2.724 506 c HN 0.318 nan 8.230 nan 0.000 0.678 507 P HA 0.011 nan 4.420 nan 0.000 0.218 507 P C 0.815 178.036 177.300 -0.131 0.000 1.148 507 P CA 1.202 64.203 63.100 -0.164 0.000 0.822 507 P CB -0.012 31.623 31.700 -0.109 0.000 0.784 508 G N 0.000 108.697 108.800 -0.171 0.000 5.446 508 G HA2 0.000 3.966 3.960 0.009 0.000 0.244 508 G HA3 0.000 3.966 3.960 0.009 0.000 0.244 508 G CA 0.000 45.023 45.100 -0.128 0.000 0.502 508 G HN 0.000 nan 8.290 nan 0.000 0.925