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 2ae5_1_B DATA FIRST_RESID 1 DATA SEQUENCE CNSWAVAPGK TANGNALLLQ NPHLSWTTDY FTYYEAHLVT PDFEIYGATQ DATA SEQUENCE IGLPVIRFAF NQRMGITNTV NGMVGATNYR LTLQDGGYLY DGQVRPFERR DATA SEQUENCE QASYRLRQAD GTTVDKPLEI RSSVHGPVFE RADGTAVAVR VAGLDRPGML DATA SEQUENCE EQYFDMITAD SFDDYEAALA RMQVPTFNIV YADREGTINY SFNGVAPKRA DATA SEQUENCE EGDIAFWQGL VPGDSSRYLW TETHPLDDLP RVTNPPGGFV QNSNDPPWTP DATA SEQUENCE TWPVTYTPKD FPSYLAPQTP HSLRAQQSVR LMSENDDLTL ERFMALQLSH DATA SEQUENCE RAVMADRTLP DLIPAALIDP DPEVQAAARL LAAWDREFTS DSRAALLFEE DATA SEQUENCE WARLFAGQNF AGQAGFATPW SLDKPVSTPY GVRDPKAAVD QLRTAIANTK DATA SEQUENCE RKYGAIDRPF GDASRMILND VNVPGAAGYG NLGSFRVFTW SDPDENGVRT DATA SEQUENCE PVHGETWVAM IEFSTPVRAY GLMSYGNSRQ PGTTHYSDQI ERVSRADFRE DATA SEQUENCE LLLRREQVEA AVQERTPFNF KP 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 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.718 174.990 -0.453 0.000 1.270 1 C CA 0.000 58.684 59.018 -0.557 0.000 1.963 1 C CB 0.000 27.630 27.740 -0.183 0.000 2.134 2 N N 0.948 119.292 118.700 -0.594 0.000 2.362 2 N HA 0.846 5.584 4.740 -0.002 0.000 0.299 2 N C -0.924 174.430 175.510 -0.260 0.000 1.170 2 N CA -0.305 52.484 53.050 -0.435 0.000 0.825 2 N CB 2.250 40.244 38.487 -0.822 0.000 1.299 2 N HN 0.995 nan 8.380 nan 0.000 0.502 3 S N -0.346 115.287 115.700 -0.112 0.000 2.543 3 S HA 0.650 5.119 4.470 -0.002 0.000 0.271 3 S C -1.905 172.845 174.600 0.250 0.000 1.148 3 S CA -0.925 57.309 58.200 0.057 0.000 0.914 3 S CB 1.345 64.648 63.200 0.172 0.000 1.096 3 S HN 0.468 nan 8.310 nan 0.000 0.471 4 W N 1.131 122.579 121.300 0.246 0.000 2.957 4 W HA 0.788 5.447 4.660 -0.002 0.000 0.336 4 W C -0.480 176.240 176.519 0.335 0.000 1.087 4 W CA -1.150 56.380 57.345 0.309 0.000 1.235 4 W CB 2.063 31.714 29.460 0.318 0.000 1.399 4 W HN 1.095 nan 8.180 nan 0.000 0.480 5 A N 2.381 125.507 122.820 0.510 0.000 2.371 5 A HA 0.879 5.198 4.320 -0.002 0.000 0.311 5 A C -1.599 176.135 177.584 0.250 0.000 1.068 5 A CA -0.622 51.611 52.037 0.327 0.000 0.744 5 A CB 1.616 20.764 19.000 0.245 0.000 1.239 5 A HN 0.283 nan 8.150 nan 0.000 0.435 6 V N 1.790 121.769 119.914 0.109 0.000 2.531 6 V HA 0.652 4.771 4.120 -0.002 0.000 0.301 6 V C 0.696 176.792 176.094 0.003 0.000 1.034 6 V CA -0.440 61.887 62.300 0.046 0.000 0.865 6 V CB 1.371 33.133 31.823 -0.101 0.000 0.995 6 V HN 1.303 nan 8.190 nan 0.000 0.424 7 A N 6.268 129.102 122.820 0.024 0.000 2.386 7 A HA 0.532 4.851 4.320 -0.002 0.000 0.248 7 A C -1.324 176.245 177.584 -0.026 0.000 1.082 7 A CA -0.941 51.093 52.037 -0.006 0.000 0.789 7 A CB 0.003 19.003 19.000 0.000 0.000 1.025 7 A HN 0.699 nan 8.150 nan 0.000 0.490 8 P HA -0.187 nan 4.420 nan 0.000 0.216 8 P C 1.617 178.898 177.300 -0.031 0.000 1.154 8 P CA 2.159 65.239 63.100 -0.033 0.000 0.865 8 P CB 0.035 31.719 31.700 -0.026 0.000 0.789 9 G N -0.553 108.234 108.800 -0.023 0.000 2.470 9 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.220 9 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.220 9 G C 1.487 176.374 174.900 -0.021 0.000 1.121 9 G CA 0.610 45.698 45.100 -0.019 0.000 0.766 9 G HN 0.313 nan 8.290 nan 0.000 0.553 10 K N 0.429 120.815 120.400 -0.023 0.000 2.404 10 K HA 0.106 4.425 4.320 -0.002 0.000 0.194 10 K C 0.710 177.275 176.600 -0.060 0.000 1.023 10 K CA 0.388 56.656 56.287 -0.031 0.000 1.094 10 K CB 0.173 32.665 32.500 -0.013 0.000 0.841 10 K HN 0.388 nan 8.250 nan 0.000 0.523 11 T N -4.291 110.226 114.554 -0.063 0.000 2.950 11 T HA 0.552 4.901 4.350 -0.002 0.000 0.288 11 T C 0.990 175.655 174.700 -0.059 0.000 1.035 11 T CA -0.564 61.489 62.100 -0.078 0.000 1.028 11 T CB 1.872 70.682 68.868 -0.097 0.000 1.109 11 T HN -0.034 nan 8.240 nan 0.000 0.514 12 A N 1.386 124.170 122.820 -0.059 0.000 1.898 12 A HA 0.060 4.379 4.320 -0.002 0.000 0.214 12 A C 2.061 179.620 177.584 -0.040 0.000 1.183 12 A CA 0.764 52.774 52.037 -0.046 0.000 0.622 12 A CB -0.775 18.198 19.000 -0.045 0.000 0.824 12 A HN 0.778 nan 8.150 nan 0.000 0.444 13 N N -1.004 117.669 118.700 -0.045 0.000 2.424 13 N HA 0.154 4.893 4.740 -0.002 0.000 0.178 13 N C 1.067 176.559 175.510 -0.031 0.000 1.060 13 N CA 1.115 54.143 53.050 -0.036 0.000 0.901 13 N CB 0.286 38.750 38.487 -0.039 0.000 0.979 13 N HN 0.656 nan 8.380 nan 0.000 0.451 14 G N 0.592 109.370 108.800 -0.036 0.000 2.140 14 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.211 14 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.211 14 G C -0.633 174.253 174.900 -0.022 0.000 1.013 14 G CA -0.331 44.752 45.100 -0.028 0.000 0.705 14 G HN 0.440 nan 8.290 nan 0.000 0.508 15 N N 0.007 118.690 118.700 -0.029 0.000 2.258 15 N HA 0.709 5.448 4.740 -0.002 0.000 0.299 15 N C 0.287 175.786 175.510 -0.019 0.000 1.047 15 N CA -0.232 52.814 53.050 -0.006 0.000 0.814 15 N CB 1.761 40.247 38.487 -0.000 0.000 1.413 15 N HN 0.576 nan 8.380 nan 0.000 0.478 16 A N 1.810 124.648 122.820 0.029 0.000 2.466 16 A HA 0.421 4.740 4.320 -0.002 0.000 0.238 16 A C -0.400 177.197 177.584 0.022 0.000 1.074 16 A CA 0.073 52.123 52.037 0.021 0.000 0.774 16 A CB 0.027 19.041 19.000 0.023 0.000 1.015 16 A HN 0.625 nan 8.150 nan 0.000 0.498 17 L N 0.876 122.023 121.223 -0.127 0.000 2.354 17 L HA 0.702 5.041 4.340 -0.002 0.000 0.269 17 L C -0.800 175.988 176.870 -0.136 0.000 1.005 17 L CA -0.792 53.832 54.840 -0.360 0.000 0.819 17 L CB 1.768 43.185 42.059 -1.069 0.000 1.311 17 L HN 0.670 nan 8.230 nan 0.000 0.423 18 L N 2.939 124.166 121.223 0.006 0.000 2.431 18 L HA 0.660 4.999 4.340 -0.002 0.000 0.266 18 L C -1.612 175.493 176.870 0.392 0.000 0.978 18 L CA -0.450 54.548 54.840 0.264 0.000 0.822 18 L CB 2.098 44.320 42.059 0.272 0.000 1.310 18 L HN 0.495 nan 8.230 nan 0.000 0.409 19 L N 3.863 125.355 121.223 0.448 0.000 2.305 19 L HA 0.592 4.931 4.340 -0.002 0.000 0.284 19 L C -0.978 175.941 176.870 0.081 0.000 1.013 19 L CA 0.138 55.093 54.840 0.192 0.000 0.819 19 L CB 1.650 43.725 42.059 0.027 0.000 1.227 19 L HN 0.730 nan 8.230 nan 0.000 0.417 20 Q N 4.656 124.454 119.800 -0.004 0.000 2.290 20 Q HA 0.411 4.750 4.340 -0.002 0.000 0.259 20 Q C -0.557 175.317 176.000 -0.209 0.000 0.941 20 Q CA -0.113 55.714 55.803 0.041 0.000 0.912 20 Q CB 1.253 30.129 28.738 0.230 0.000 1.244 20 Q HN 0.730 nan 8.270 nan 0.000 0.441 21 N N 2.423 120.988 118.700 -0.224 0.000 2.609 21 N HA 0.129 4.868 4.740 -0.002 0.000 0.251 21 N C -2.774 172.432 175.510 -0.507 0.000 1.526 21 N CA -1.006 51.807 53.050 -0.396 0.000 0.931 21 N CB 0.931 39.150 38.487 -0.448 0.000 1.460 21 N HN 0.342 nan 8.380 nan 0.000 0.526 22 P HA 0.074 nan 4.420 nan 0.000 0.271 22 P C -1.129 175.998 177.300 -0.288 0.000 1.216 22 P CA 0.568 63.458 63.100 -0.349 0.000 0.776 22 P CB 0.730 32.179 31.700 -0.417 0.000 0.881 23 H N 1.896 120.881 119.070 -0.142 0.000 2.587 23 H HA 0.570 5.124 4.556 -0.002 0.000 0.325 23 H C 0.057 175.179 175.328 -0.343 0.000 1.012 23 H CA -0.744 55.124 56.048 -0.301 0.000 1.213 23 H CB 1.126 30.684 29.762 -0.341 0.000 1.431 23 H HN 0.253 nan 8.280 nan 0.000 0.492 24 L N 0.782 121.885 121.223 -0.200 0.000 2.502 24 L HA 0.312 4.651 4.340 -0.002 0.000 0.253 24 L C 0.090 177.012 176.870 0.087 0.000 1.070 24 L CA -1.085 53.681 54.840 -0.124 0.000 0.871 24 L CB 2.324 44.256 42.059 -0.211 0.000 1.487 24 L HN 0.457 nan 8.230 nan 0.000 0.408 25 S N -0.558 115.311 115.700 0.281 0.000 2.558 25 S HA -0.022 4.447 4.470 -0.002 0.000 0.288 25 S C 0.230 175.128 174.600 0.497 0.000 1.318 25 S CA 0.131 58.560 58.200 0.381 0.000 1.056 25 S CB 0.248 63.656 63.200 0.347 0.000 0.853 25 S HN 0.446 nan 8.310 nan 0.000 0.505 26 W N 2.493 123.907 121.300 0.189 0.000 2.800 26 W HA 0.108 4.766 4.660 -0.002 0.000 0.249 26 W C 2.383 178.947 176.519 0.074 0.000 1.294 26 W CA 0.835 58.331 57.345 0.252 0.000 1.402 26 W CB -1.140 28.478 29.460 0.262 0.000 1.126 26 W HN 0.943 nan 8.180 nan 0.000 0.652 27 T N -6.120 108.577 114.554 0.237 0.000 3.019 27 T HA 0.094 4.443 4.350 -0.002 0.000 0.247 27 T C 0.906 175.577 174.700 -0.048 0.000 0.992 27 T CA 0.140 62.288 62.100 0.080 0.000 1.036 27 T CB -0.488 68.436 68.868 0.094 0.000 1.063 27 T HN -0.279 nan 8.240 nan 0.000 0.476 28 T N 4.513 119.030 114.554 -0.062 0.000 2.778 28 T HA 0.075 4.423 4.350 -0.002 0.000 0.282 28 T C 1.051 175.512 174.700 -0.398 0.000 0.983 28 T CA 0.500 62.420 62.100 -0.300 0.000 1.193 28 T CB 0.610 69.250 68.868 -0.380 0.000 0.938 28 T HN 0.549 nan 8.240 nan 0.000 0.523 29 D N 3.510 123.655 120.400 -0.425 0.000 2.104 29 D HA -0.241 4.398 4.640 -0.002 0.000 0.194 29 D C 1.655 177.804 176.300 -0.253 0.000 0.994 29 D CA 1.692 55.519 54.000 -0.288 0.000 0.830 29 D CB -0.669 40.018 40.800 -0.188 0.000 0.959 29 D HN 0.845 nan 8.370 nan 0.000 0.452 30 Y N -1.635 118.558 120.300 -0.180 0.000 2.571 30 Y HA 0.260 4.809 4.550 -0.002 0.000 0.294 30 Y C 1.653 177.523 175.900 -0.050 0.000 1.141 30 Y CA -0.258 57.745 58.100 -0.161 0.000 1.308 30 Y CB -1.188 37.141 38.460 -0.219 0.000 1.002 30 Y HN -0.017 nan 8.280 nan 0.000 0.551 31 F N 0.420 120.255 119.950 -0.192 0.000 2.727 31 F HA 0.160 4.686 4.527 -0.002 0.000 0.302 31 F C 0.580 176.153 175.800 -0.379 0.000 1.097 31 F CA -0.499 57.376 58.000 -0.209 0.000 1.330 31 F CB 0.275 39.187 39.000 -0.145 0.000 1.084 31 F HN -0.135 nan 8.300 nan 0.000 0.578 32 T N 0.849 115.317 114.554 -0.143 0.000 2.834 32 T HA 0.065 4.413 4.350 -0.002 0.000 0.298 32 T C -0.519 174.092 174.700 -0.147 0.000 0.966 32 T CA 0.304 62.269 62.100 -0.225 0.000 1.141 32 T CB 0.160 68.883 68.868 -0.241 0.000 0.905 32 T HN 0.022 nan 8.240 nan 0.000 0.535 33 Y N 1.692 122.107 120.300 0.193 0.000 2.335 33 Y HA 0.475 5.024 4.550 -0.002 0.000 0.323 33 Y C -0.173 175.835 175.900 0.181 0.000 1.224 33 Y CA -0.939 57.249 58.100 0.147 0.000 1.241 33 Y CB 1.004 39.506 38.460 0.070 0.000 1.235 33 Y HN 0.576 nan 8.280 nan 0.000 0.492 34 Y N 2.154 122.507 120.300 0.089 0.000 2.421 34 Y HA 0.292 4.841 4.550 -0.002 0.000 0.339 34 Y C -0.899 174.877 175.900 -0.208 0.000 0.996 34 Y CA -1.539 56.539 58.100 -0.036 0.000 1.046 34 Y CB 1.484 39.919 38.460 -0.041 0.000 1.226 34 Y HN 0.653 nan 8.280 nan 0.000 0.445 35 E N 4.421 124.201 120.200 -0.700 0.000 2.191 35 E HA 0.799 5.148 4.350 -0.002 0.000 0.278 35 E C -1.506 174.533 176.600 -0.935 0.000 0.972 35 E CA -0.535 55.377 56.400 -0.814 0.000 0.804 35 E CB 1.124 30.457 29.700 -0.613 0.000 1.110 35 E HN 0.846 nan 8.360 nan 0.000 0.394 36 A N 4.010 126.350 122.820 -0.800 0.000 2.586 36 A HA 0.408 4.727 4.320 -0.002 0.000 0.290 36 A C -1.905 175.298 177.584 -0.634 0.000 1.086 36 A CA -0.618 51.046 52.037 -0.621 0.000 0.665 36 A CB 1.478 20.231 19.000 -0.412 0.000 1.279 36 A HN 0.813 nan 8.150 nan 0.000 0.423 37 H N 0.226 119.010 119.070 -0.476 0.000 2.840 37 H HA 0.612 5.166 4.556 -0.002 0.000 0.340 37 H C -2.040 173.224 175.328 -0.106 0.000 1.004 37 H CA -0.672 55.181 56.048 -0.326 0.000 1.288 37 H CB 0.924 30.576 29.762 -0.184 0.000 1.607 37 H HN 0.463 nan 8.280 nan 0.000 0.522 38 L N 5.650 126.932 121.223 0.098 0.000 2.322 38 L HA 0.435 4.774 4.340 -0.002 0.000 0.281 38 L C -0.856 175.993 176.870 -0.035 0.000 1.014 38 L CA -0.692 54.174 54.840 0.042 0.000 0.815 38 L CB 1.889 44.088 42.059 0.233 0.000 1.247 38 L HN 0.396 nan 8.230 nan 0.000 0.421 39 V N 1.489 121.285 119.914 -0.196 0.000 2.569 39 V HA 0.725 4.844 4.120 -0.002 0.000 0.301 39 V C -0.049 175.849 176.094 -0.327 0.000 1.044 39 V CA -0.541 61.604 62.300 -0.259 0.000 0.874 39 V CB 1.883 33.558 31.823 -0.247 0.000 1.002 39 V HN 0.878 nan 8.190 nan 0.000 0.424 40 T N 1.955 116.195 114.554 -0.523 0.000 2.883 40 T HA 0.593 4.942 4.350 -0.002 0.000 0.284 40 T C -2.107 172.441 174.700 -0.254 0.000 1.041 40 T CA -1.948 59.909 62.100 -0.403 0.000 1.007 40 T CB 2.045 70.572 68.868 -0.569 0.000 1.220 40 T HN 0.331 nan 8.240 nan 0.000 0.552 41 P HA 0.051 nan 4.420 nan 0.000 0.219 41 P C 0.506 177.784 177.300 -0.036 0.000 1.146 41 P CA 0.925 63.986 63.100 -0.066 0.000 0.808 41 P CB 0.068 31.751 31.700 -0.029 0.000 0.779 42 D N -2.116 118.262 120.400 -0.035 0.000 2.417 42 D HA 0.149 4.788 4.640 -0.002 0.000 0.207 42 D C 0.489 176.896 176.300 0.179 0.000 1.075 42 D CA 0.350 54.399 54.000 0.081 0.000 0.851 42 D CB 0.341 41.239 40.800 0.163 0.000 0.976 42 D HN 0.271 nan 8.370 nan 0.000 0.505 43 F N -0.252 119.735 119.950 0.063 0.000 2.686 43 F HA 0.627 5.153 4.527 -0.002 0.000 0.311 43 F C -1.419 174.423 175.800 0.070 0.000 1.128 43 F CA -1.289 56.743 58.000 0.053 0.000 0.946 43 F CB 1.714 40.732 39.000 0.030 0.000 1.336 43 F HN -0.306 nan 8.300 nan 0.000 0.457 44 E N 2.779 123.188 120.200 0.348 0.000 2.304 44 E HA 0.662 5.011 4.350 -0.002 0.000 0.277 44 E C -1.859 174.931 176.600 0.317 0.000 0.898 44 E CA -0.891 55.672 56.400 0.272 0.000 0.764 44 E CB 2.557 32.367 29.700 0.183 0.000 1.216 44 E HN 0.889 nan 8.360 nan 0.000 0.419 45 I N 1.320 122.085 120.570 0.325 0.000 2.619 45 I HA 0.582 4.751 4.170 -0.002 0.000 0.292 45 I C -1.852 174.330 176.117 0.108 0.000 1.100 45 I CA -1.035 60.375 61.300 0.182 0.000 1.043 45 I CB 1.794 39.903 38.000 0.180 0.000 1.239 45 I HN 0.619 nan 8.210 nan 0.000 0.420 46 Y N 4.339 124.467 120.300 -0.287 0.000 2.425 46 Y HA 0.841 5.390 4.550 -0.002 0.000 0.344 46 Y C 0.154 175.816 175.900 -0.396 0.000 0.969 46 Y CA 0.554 58.369 58.100 -0.474 0.000 1.052 46 Y CB 2.100 39.985 38.460 -0.959 0.000 1.215 46 Y HN 1.125 nan 8.280 nan 0.000 0.451 47 G N 1.948 110.523 108.800 -0.376 0.000 2.356 47 G HA2 0.447 4.405 3.960 -0.002 0.000 0.266 47 G HA3 0.447 4.405 3.960 -0.002 0.000 0.266 47 G C -2.026 172.532 174.900 -0.570 0.000 1.312 47 G CA -0.354 44.633 45.100 -0.188 0.000 0.922 47 G HN 1.027 nan 8.290 nan 0.000 0.480 48 A N -1.267 121.166 122.820 -0.646 0.000 2.354 48 A HA 0.987 5.306 4.320 -0.002 0.000 0.321 48 A C -0.091 177.391 177.584 -0.170 0.000 1.125 48 A CA 0.237 51.837 52.037 -0.729 0.000 0.799 48 A CB 2.051 20.148 19.000 -1.505 0.000 1.293 48 A HN 1.783 nan 8.150 nan 0.000 0.452 49 T N -0.020 114.553 114.554 0.032 0.000 2.830 49 T HA 0.400 4.749 4.350 -0.002 0.000 0.322 49 T C -1.292 173.599 174.700 0.317 0.000 1.501 49 T CA -0.447 61.790 62.100 0.228 0.000 1.036 49 T CB 1.210 70.122 68.868 0.072 0.000 1.379 49 T HN 0.727 nan 8.240 nan 0.000 0.493 50 Q N 2.032 121.988 119.800 0.260 0.000 2.337 50 Q HA 0.411 4.750 4.340 -0.002 0.000 0.270 50 Q C 0.471 176.513 176.000 0.071 0.000 1.002 50 Q CA -0.103 55.762 55.803 0.102 0.000 0.888 50 Q CB 0.174 28.971 28.738 0.097 0.000 1.222 50 Q HN 0.630 nan 8.270 nan 0.000 0.400 51 I N -1.092 119.491 120.570 0.022 0.000 2.815 51 I HA 0.221 4.390 4.170 -0.002 0.000 0.291 51 I C 1.168 177.266 176.117 -0.033 0.000 1.209 51 I CA 0.689 61.965 61.300 -0.039 0.000 1.431 51 I CB 0.004 37.944 38.000 -0.100 0.000 1.351 51 I HN 0.791 nan 8.210 nan 0.000 0.585 52 G N 4.732 113.495 108.800 -0.062 0.000 2.241 52 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.244 52 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.244 52 G C 0.148 175.030 174.900 -0.029 0.000 0.998 52 G CA 0.054 45.123 45.100 -0.050 0.000 0.621 52 G HN 0.654 nan 8.290 nan 0.000 0.519 53 L N 2.094 123.313 121.223 -0.007 0.000 2.331 53 L HA 0.347 4.686 4.340 -0.002 0.000 0.278 53 L C -0.499 176.361 176.870 -0.016 0.000 1.106 53 L CA -1.319 53.518 54.840 -0.004 0.000 0.824 53 L CB 1.075 43.138 42.059 0.007 0.000 1.142 53 L HN 0.041 nan 8.230 nan 0.000 0.443 54 P HA 0.036 nan 4.420 nan 0.000 0.255 54 P C -0.322 176.956 177.300 -0.036 0.000 1.248 54 P CA 0.325 63.397 63.100 -0.046 0.000 0.807 54 P CB 0.295 31.950 31.700 -0.074 0.000 1.150 55 V N -3.110 116.795 119.914 -0.016 0.000 2.876 55 V HA 0.528 4.646 4.120 -0.002 0.000 0.312 55 V C -0.321 175.758 176.094 -0.025 0.000 1.085 55 V CA -1.510 60.801 62.300 0.018 0.000 0.945 55 V CB 2.372 34.245 31.823 0.083 0.000 1.017 55 V HN -0.243 nan 8.190 nan 0.000 0.428 56 I N 3.640 124.210 120.570 -0.001 0.000 2.337 56 I HA 0.416 4.585 4.170 -0.002 0.000 0.291 56 I C 1.470 177.522 176.117 -0.108 0.000 1.046 56 I CA -0.191 61.088 61.300 -0.036 0.000 1.324 56 I CB 1.044 39.035 38.000 -0.016 0.000 1.409 56 I HN 0.724 nan 8.210 nan 0.000 0.494 57 R N 4.190 124.558 120.500 -0.220 0.000 2.119 57 R HA 0.057 4.396 4.340 -0.002 0.000 0.222 57 R C -0.078 175.980 176.300 -0.403 0.000 1.088 57 R CA 1.059 56.838 56.100 -0.535 0.000 0.984 57 R CB 0.076 29.934 30.300 -0.737 0.000 0.884 57 R HN 0.384 nan 8.270 nan 0.000 0.447 58 F N 1.047 120.942 119.950 -0.091 0.000 2.359 58 F HA 0.410 4.935 4.527 -0.002 0.000 0.355 58 F C 0.164 176.044 175.800 0.134 0.000 1.132 58 F CA -0.787 57.238 58.000 0.042 0.000 1.246 58 F CB 0.891 39.907 39.000 0.027 0.000 1.569 58 F HN -0.065 nan 8.300 nan 0.000 0.561 59 A N 3.135 126.113 122.820 0.264 0.000 2.356 59 A HA 0.942 5.260 4.320 -0.002 0.000 0.323 59 A C -1.025 176.793 177.584 0.389 0.000 1.119 59 A CA -0.534 51.648 52.037 0.241 0.000 0.790 59 A CB 1.321 20.400 19.000 0.132 0.000 1.273 59 A HN 0.570 nan 8.150 nan 0.000 0.452 60 F N 0.198 120.282 119.950 0.223 0.000 2.711 60 F HA 0.835 5.360 4.527 -0.002 0.000 0.313 60 F C -0.636 175.286 175.800 0.203 0.000 1.141 60 F CA -0.881 57.253 58.000 0.224 0.000 0.941 60 F CB 1.241 40.381 39.000 0.233 0.000 1.349 60 F HN 0.731 nan 8.300 nan 0.000 0.464 61 N N -1.117 117.787 118.700 0.339 0.000 3.587 61 N HA 0.211 4.950 4.740 -0.002 0.000 0.339 61 N C -0.147 175.555 175.510 0.320 0.000 1.636 61 N CA -0.621 52.539 53.050 0.183 0.000 0.788 61 N CB 0.107 38.678 38.487 0.139 0.000 2.205 61 N HN 0.535 nan 8.380 nan 0.000 0.600 62 Q N -0.524 119.403 119.800 0.213 0.000 2.291 62 Q HA 0.051 4.389 4.340 -0.002 0.000 0.205 62 Q C 1.212 177.363 176.000 0.251 0.000 0.970 62 Q CA 1.073 56.999 55.803 0.205 0.000 0.876 62 Q CB 0.068 28.883 28.738 0.129 0.000 0.935 62 Q HN 0.583 nan 8.270 nan 0.000 0.455 63 R N -0.607 120.019 120.500 0.210 0.000 2.167 63 R HA 0.177 4.516 4.340 -0.002 0.000 0.201 63 R C 0.633 176.881 176.300 -0.086 0.000 1.024 63 R CA 0.507 56.666 56.100 0.098 0.000 1.053 63 R CB 0.550 30.888 30.300 0.063 0.000 0.987 63 R HN 0.242 nan 8.270 nan 0.000 0.493 64 M N -2.949 116.618 119.600 -0.056 0.000 2.880 64 M HA 0.633 5.112 4.480 -0.002 0.000 0.269 64 M C -0.957 175.291 176.300 -0.085 0.000 1.248 64 M CA -1.006 54.005 55.300 -0.481 0.000 0.821 64 M CB 2.323 34.660 32.600 -0.438 0.000 1.650 64 M HN -0.051 nan 8.290 nan 0.000 0.479 65 G N 0.679 109.314 108.800 -0.275 0.000 2.673 65 G HA2 0.729 4.688 3.960 -0.002 0.000 0.292 65 G HA3 0.729 4.688 3.960 -0.002 0.000 0.292 65 G C -1.855 173.022 174.900 -0.038 0.000 1.450 65 G CA -0.912 44.278 45.100 0.150 0.000 0.837 65 G HN 1.288 nan 8.290 nan 0.000 0.505 66 I N -1.905 118.738 120.570 0.122 0.000 3.042 66 I HA 0.954 5.123 4.170 -0.002 0.000 0.310 66 I C -0.575 175.638 176.117 0.161 0.000 1.117 66 I CA -0.917 60.456 61.300 0.122 0.000 1.003 66 I CB 2.560 40.655 38.000 0.157 0.000 1.228 66 I HN 0.632 nan 8.210 nan 0.000 0.443 67 T N 1.202 115.832 114.554 0.126 0.000 2.841 67 T HA 0.503 4.852 4.350 -0.002 0.000 0.296 67 T C -1.444 173.226 174.700 -0.050 0.000 1.166 67 T CA -0.747 61.400 62.100 0.078 0.000 1.007 67 T CB 1.703 70.732 68.868 0.268 0.000 1.253 67 T HN 0.830 nan 8.240 nan 0.000 0.511 68 N N 1.244 119.825 118.700 -0.199 0.000 2.240 68 N HA 0.617 5.355 4.740 -0.002 0.000 0.302 68 N C -1.088 174.478 175.510 0.092 0.000 1.106 68 N CA -0.616 52.334 53.050 -0.167 0.000 0.778 68 N CB 2.344 40.466 38.487 -0.609 0.000 1.431 68 N HN 0.830 nan 8.380 nan 0.000 0.479 69 T N -3.065 111.570 114.554 0.136 0.000 2.896 69 T HA 0.404 4.752 4.350 -0.002 0.000 0.297 69 T C -0.321 174.536 174.700 0.261 0.000 1.108 69 T CA -0.666 61.538 62.100 0.174 0.000 1.004 69 T CB 1.045 69.990 68.868 0.128 0.000 1.159 69 T HN 0.079 nan 8.240 nan 0.000 0.499 70 V N 3.745 123.800 119.914 0.235 0.000 2.521 70 V HA 0.202 4.321 4.120 -0.002 0.000 0.286 70 V C 1.163 177.317 176.094 0.101 0.000 1.034 70 V CA -0.070 62.355 62.300 0.210 0.000 1.045 70 V CB 0.157 32.076 31.823 0.161 0.000 0.974 70 V HN 1.044 nan 8.190 nan 0.000 0.480 71 N N 3.222 121.920 118.700 -0.002 0.000 2.197 71 N HA 0.128 4.867 4.740 -0.002 0.000 0.201 71 N C 1.195 176.672 175.510 -0.055 0.000 1.148 71 N CA 0.536 53.544 53.050 -0.070 0.000 0.883 71 N CB 0.664 38.927 38.487 -0.372 0.000 1.012 71 N HN 0.891 nan 8.380 nan 0.000 0.507 72 G N 1.244 110.002 108.800 -0.070 0.000 2.225 72 G HA2 -0.359 3.600 3.960 -0.002 0.000 0.267 72 G HA3 -0.359 3.600 3.960 -0.002 0.000 0.267 72 G C 0.063 174.937 174.900 -0.043 0.000 1.024 72 G CA 0.516 45.595 45.100 -0.034 0.000 0.784 72 G HN 0.587 nan 8.290 nan 0.000 0.507 73 M N 0.466 119.974 119.600 -0.153 0.000 2.274 73 M HA 0.258 4.736 4.480 -0.002 0.000 0.377 73 M C 0.612 176.878 176.300 -0.056 0.000 1.428 73 M CA 0.441 55.668 55.300 -0.122 0.000 0.907 73 M CB 0.602 33.044 32.600 -0.262 0.000 1.974 73 M HN 0.230 nan 8.290 nan 0.000 0.479 74 V N 7.364 127.284 119.914 0.010 0.000 2.223 74 V HA 0.265 4.384 4.120 -0.002 0.000 0.249 74 V C 1.334 177.383 176.094 -0.076 0.000 1.233 74 V CA 0.510 62.810 62.300 0.000 0.000 1.131 74 V CB -0.765 31.096 31.823 0.063 0.000 1.298 74 V HN 1.080 nan 8.190 nan 0.000 0.498 75 G N 2.691 111.444 108.800 -0.079 0.000 3.088 75 G HA2 0.520 4.479 3.960 -0.002 0.000 0.217 75 G HA3 0.520 4.479 3.960 -0.002 0.000 0.217 75 G C 0.411 175.295 174.900 -0.027 0.000 1.159 75 G CA 0.702 45.737 45.100 -0.109 0.000 0.760 75 G HN 0.782 nan 8.290 nan 0.000 0.550 76 A N -0.761 122.083 122.820 0.040 0.000 2.515 76 A HA 0.833 5.152 4.320 -0.002 0.000 0.296 76 A C -0.748 176.954 177.584 0.197 0.000 1.094 76 A CA -0.444 51.699 52.037 0.177 0.000 0.718 76 A CB 1.604 20.681 19.000 0.128 0.000 1.307 76 A HN 0.020 nan 8.150 nan 0.000 0.408 77 T N 1.497 116.231 114.554 0.301 0.000 2.848 77 T HA 0.452 4.801 4.350 -0.002 0.000 0.285 77 T C -0.649 174.030 174.700 -0.034 0.000 0.995 77 T CA -0.350 61.832 62.100 0.136 0.000 0.970 77 T CB 0.927 69.931 68.868 0.226 0.000 0.976 77 T HN 0.637 nan 8.240 nan 0.000 0.441 78 N N 1.615 120.226 118.700 -0.147 0.000 2.425 78 N HA 0.463 5.202 4.740 -0.002 0.000 0.268 78 N C -1.453 173.893 175.510 -0.272 0.000 0.991 78 N CA -0.512 52.465 53.050 -0.121 0.000 0.931 78 N CB 1.038 39.480 38.487 -0.075 0.000 1.130 78 N HN 0.514 nan 8.380 nan 0.000 0.493 79 Y N 0.710 120.954 120.300 -0.094 0.000 2.352 79 Y HA 0.320 4.869 4.550 -0.002 0.000 0.339 79 Y C 0.471 176.270 175.900 -0.168 0.000 0.992 79 Y CA -0.936 57.053 58.100 -0.184 0.000 1.100 79 Y CB 1.181 39.388 38.460 -0.422 0.000 1.192 79 Y HN 0.273 nan 8.280 nan 0.000 0.458 80 R N 4.792 125.298 120.500 0.010 0.000 2.296 80 R HA 0.320 4.658 4.340 -0.002 0.000 0.323 80 R C -1.171 175.151 176.300 0.038 0.000 1.067 80 R CA -0.193 55.913 56.100 0.009 0.000 0.946 80 R CB 0.066 30.359 30.300 -0.011 0.000 0.991 80 R HN 0.759 nan 8.270 nan 0.000 0.448 81 L N 3.484 124.729 121.223 0.037 0.000 2.395 81 L HA 0.245 4.584 4.340 -0.002 0.000 0.269 81 L C 0.355 177.300 176.870 0.125 0.000 1.133 81 L CA -0.321 54.570 54.840 0.085 0.000 0.812 81 L CB 1.594 43.705 42.059 0.086 0.000 1.125 81 L HN 0.593 nan 8.230 nan 0.000 0.452 82 T N 4.194 118.850 114.554 0.170 0.000 2.738 82 T HA 0.431 4.780 4.350 -0.002 0.000 0.298 82 T C 0.107 174.917 174.700 0.183 0.000 0.962 82 T CA -0.452 61.738 62.100 0.150 0.000 0.972 82 T CB 0.235 69.184 68.868 0.134 0.000 0.928 82 T HN 0.262 nan 8.240 nan 0.000 0.474 83 L N 3.687 125.010 121.223 0.166 0.000 2.371 83 L HA 0.492 4.830 4.340 -0.002 0.000 0.272 83 L C 0.485 177.428 176.870 0.120 0.000 1.124 83 L CA -0.218 54.732 54.840 0.184 0.000 0.816 83 L CB 0.598 42.766 42.059 0.181 0.000 1.129 83 L HN 0.521 nan 8.230 nan 0.000 0.448 84 Q N 2.453 122.313 119.800 0.099 0.000 2.364 84 Q HA 0.107 4.446 4.340 -0.002 0.000 0.251 84 Q C -1.497 174.522 176.000 0.033 0.000 0.927 84 Q CA -0.567 55.268 55.803 0.054 0.000 0.924 84 Q CB 1.671 30.429 28.738 0.033 0.000 1.419 84 Q HN 0.683 nan 8.270 nan 0.000 0.427 85 D N 2.463 122.884 120.400 0.035 0.000 2.723 85 D HA -0.210 4.429 4.640 -0.002 0.000 0.236 85 D C 0.713 177.033 176.300 0.034 0.000 1.138 85 D CA 1.846 55.860 54.000 0.023 0.000 0.676 85 D CB -1.228 39.571 40.800 -0.001 0.000 1.069 85 D HN 1.115 nan 8.370 nan 0.000 0.430 86 G N -1.705 107.140 108.800 0.076 0.000 2.189 86 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.267 86 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.267 86 G C 0.731 175.725 174.900 0.156 0.000 0.975 86 G CA 0.899 46.073 45.100 0.123 0.000 0.644 86 G HN 0.980 nan 8.290 nan 0.000 0.537 87 G N -0.860 107.958 108.800 0.030 0.000 3.211 87 G HA2 0.855 4.814 3.960 -0.002 0.000 0.167 87 G HA3 0.855 4.814 3.960 -0.002 0.000 0.167 87 G C -0.646 174.158 174.900 -0.160 0.000 1.212 87 G CA -0.248 44.723 45.100 -0.216 0.000 0.928 87 G HN 1.327 nan 8.290 nan 0.000 0.607 88 Y N -1.826 118.237 120.300 -0.394 0.000 2.534 88 Y HA 0.737 5.286 4.550 -0.002 0.000 0.345 88 Y C -1.033 174.830 175.900 -0.061 0.000 1.031 88 Y CA -1.713 56.282 58.100 -0.174 0.000 1.022 88 Y CB 1.443 39.797 38.460 -0.177 0.000 1.292 88 Y HN 0.482 nan 8.280 nan 0.000 0.459 89 L N 4.155 125.439 121.223 0.102 0.000 2.367 89 L HA 0.445 4.784 4.340 -0.002 0.000 0.275 89 L C -1.464 175.530 176.870 0.207 0.000 1.129 89 L CA -0.074 54.807 54.840 0.068 0.000 0.839 89 L CB 0.175 42.282 42.059 0.081 0.000 1.133 89 L HN 0.753 nan 8.230 nan 0.000 0.453 90 Y N 4.281 124.549 120.300 -0.053 0.000 2.313 90 Y HA 0.239 4.788 4.550 -0.002 0.000 0.320 90 Y C -0.442 175.436 175.900 -0.036 0.000 1.171 90 Y CA -1.065 57.034 58.100 -0.002 0.000 1.093 90 Y CB 0.830 39.266 38.460 -0.041 0.000 1.224 90 Y HN 0.785 nan 8.280 nan 0.000 0.421 91 D N 4.543 124.743 120.400 -0.333 0.000 2.686 91 D HA -0.177 4.462 4.640 -0.002 0.000 0.235 91 D C 1.226 177.469 176.300 -0.094 0.000 1.160 91 D CA 2.249 56.111 54.000 -0.230 0.000 0.645 91 D CB -1.055 39.592 40.800 -0.254 0.000 1.039 91 D HN 1.357 nan 8.370 nan 0.000 0.423 92 G N -0.597 108.168 108.800 -0.058 0.000 2.189 92 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.267 92 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.267 92 G C 0.231 175.113 174.900 -0.030 0.000 0.975 92 G CA 0.853 45.932 45.100 -0.033 0.000 0.644 92 G HN 0.544 nan 8.290 nan 0.000 0.537 93 Q N -0.916 118.863 119.800 -0.034 0.000 2.413 93 Q HA 0.623 4.962 4.340 -0.002 0.000 0.276 93 Q C -0.268 175.681 176.000 -0.085 0.000 1.099 93 Q CA -1.019 54.754 55.803 -0.050 0.000 0.814 93 Q CB 2.989 31.697 28.738 -0.050 0.000 1.379 93 Q HN 0.114 nan 8.270 nan 0.000 0.436 94 V N 2.056 121.905 119.914 -0.108 0.000 2.614 94 V HA 0.281 4.400 4.120 -0.002 0.000 0.291 94 V C -0.053 175.883 176.094 -0.263 0.000 1.049 94 V CA 0.104 62.298 62.300 -0.176 0.000 1.038 94 V CB 0.984 32.733 31.823 -0.123 0.000 0.980 94 V HN 0.592 nan 8.190 nan 0.000 0.481 95 R N 6.653 126.860 120.500 -0.488 0.000 2.561 95 R HA 0.505 4.844 4.340 -0.002 0.000 0.297 95 R C -2.834 173.072 176.300 -0.656 0.000 0.969 95 R CA -1.862 53.883 56.100 -0.593 0.000 0.879 95 R CB 2.605 32.403 30.300 -0.836 0.000 1.178 95 R HN 0.464 nan 8.270 nan 0.000 0.445 96 P HA 0.130 nan 4.420 nan 0.000 0.277 96 P C -0.811 176.397 177.300 -0.154 0.000 1.240 96 P CA -0.104 62.857 63.100 -0.232 0.000 0.798 96 P CB 0.546 32.191 31.700 -0.092 0.000 0.979 97 F N -0.031 119.995 119.950 0.127 0.000 2.418 97 F HA 0.119 4.645 4.527 -0.002 0.000 0.341 97 F C 1.620 177.448 175.800 0.046 0.000 1.120 97 F CA -0.101 57.978 58.000 0.132 0.000 1.232 97 F CB 0.239 39.285 39.000 0.077 0.000 1.175 97 F HN 0.233 nan 8.300 nan 0.000 0.569 98 E N 3.156 123.491 120.200 0.225 0.000 2.384 98 E HA 0.145 4.493 4.350 -0.002 0.000 0.266 98 E C -0.209 176.452 176.600 0.101 0.000 1.012 98 E CA -0.218 56.251 56.400 0.114 0.000 0.901 98 E CB 0.619 30.355 29.700 0.060 0.000 0.967 98 E HN 0.462 nan 8.360 nan 0.000 0.435 99 R N 2.549 123.083 120.500 0.055 0.000 2.604 99 R HA 0.564 4.903 4.340 -0.002 0.000 0.281 99 R C -1.137 175.161 176.300 -0.002 0.000 1.020 99 R CA -0.976 55.131 56.100 0.012 0.000 0.899 99 R CB 1.859 32.168 30.300 0.015 0.000 1.205 99 R HN 0.499 nan 8.270 nan 0.000 0.450 100 R N 1.937 122.425 120.500 -0.021 0.000 2.628 100 R HA 0.242 4.581 4.340 -0.002 0.000 0.288 100 R C -1.075 175.213 176.300 -0.021 0.000 0.980 100 R CA -0.626 55.464 56.100 -0.017 0.000 0.891 100 R CB 1.922 32.212 30.300 -0.017 0.000 1.188 100 R HN 0.571 nan 8.270 nan 0.000 0.450 101 Q N 2.551 122.343 119.800 -0.014 0.000 2.390 101 Q HA 0.422 4.760 4.340 -0.002 0.000 0.249 101 Q C -0.724 175.272 176.000 -0.008 0.000 0.996 101 Q CA -0.264 55.530 55.803 -0.015 0.000 0.899 101 Q CB 1.742 30.471 28.738 -0.015 0.000 1.216 101 Q HN 0.703 nan 8.270 nan 0.000 0.465 102 A N 2.125 124.944 122.820 -0.001 0.000 2.373 102 A HA 0.904 5.223 4.320 -0.002 0.000 0.291 102 A C -0.285 177.312 177.584 0.021 0.000 1.171 102 A CA -0.321 51.726 52.037 0.017 0.000 0.922 102 A CB 1.268 20.287 19.000 0.032 0.000 1.400 102 A HN 0.761 nan 8.150 nan 0.000 0.474 103 S N -1.846 113.880 115.700 0.044 0.000 2.587 103 S HA 0.735 5.204 4.470 -0.002 0.000 0.269 103 S C -1.113 173.552 174.600 0.108 0.000 1.154 103 S CA -0.405 57.801 58.200 0.011 0.000 0.824 103 S CB 0.850 64.016 63.200 -0.057 0.000 1.118 103 S HN 1.915 nan 8.310 nan 0.000 0.462 104 Y N -1.111 119.182 120.300 -0.011 0.000 2.615 104 Y HA 0.891 5.441 4.550 -0.001 0.000 0.341 104 Y C -0.883 175.012 175.900 -0.008 0.000 1.089 104 Y CA -1.402 56.693 58.100 -0.009 0.000 1.049 104 Y CB 0.769 39.225 38.460 -0.007 0.000 1.296 104 Y HN 0.696 nan 8.280 nan 0.000 0.470 105 R N 1.527 122.115 120.500 0.147 0.000 2.349 105 R HA 0.587 4.925 4.340 -0.002 0.000 0.299 105 R C -1.586 174.813 176.300 0.164 0.000 1.027 105 R CA -0.669 55.469 56.100 0.064 0.000 0.958 105 R CB 1.273 31.603 30.300 0.050 0.000 1.047 105 R HN 0.727 nan 8.270 nan 0.000 0.468 106 L N 2.590 123.861 121.223 0.080 0.000 2.319 106 L HA 0.462 4.800 4.340 -0.002 0.000 0.281 106 L C -0.458 176.444 176.870 0.053 0.000 1.005 106 L CA -0.669 54.239 54.840 0.113 0.000 0.828 106 L CB 1.256 43.382 42.059 0.111 0.000 1.227 106 L HN 0.524 nan 8.230 nan 0.000 0.415 107 R N 3.547 124.077 120.500 0.050 0.000 2.522 107 R HA 0.199 4.538 4.340 -0.002 0.000 0.284 107 R C -0.486 175.826 176.300 0.020 0.000 1.032 107 R CA 0.116 56.232 56.100 0.027 0.000 1.049 107 R CB 0.444 30.757 30.300 0.021 0.000 0.956 107 R HN 0.607 nan 8.270 nan 0.000 0.422 108 Q N 2.965 122.772 119.800 0.011 0.000 2.193 108 Q HA 0.232 4.571 4.340 -0.002 0.000 0.246 108 Q C 0.855 176.857 176.000 0.004 0.000 0.959 108 Q CA 0.201 56.008 55.803 0.007 0.000 0.904 108 Q CB 1.464 30.203 28.738 0.001 0.000 1.238 108 Q HN 0.829 nan 8.270 nan 0.000 0.469 109 A N 1.470 124.292 122.820 0.003 0.000 2.032 109 A HA -0.222 4.097 4.320 -0.002 0.000 0.221 109 A C 0.971 178.554 177.584 -0.001 0.000 1.165 109 A CA 2.223 54.260 52.037 0.001 0.000 0.645 109 A CB -0.540 18.460 19.000 0.000 0.000 0.807 109 A HN 0.805 nan 8.150 nan 0.000 0.453 110 D N -3.559 116.840 120.400 -0.001 0.000 2.342 110 D HA 0.377 5.016 4.640 -0.002 0.000 0.221 110 D C 1.051 177.350 176.300 -0.002 0.000 1.101 110 D CA 0.773 54.771 54.000 -0.002 0.000 0.837 110 D CB -0.093 40.705 40.800 -0.003 0.000 0.938 110 D HN 0.566 nan 8.370 nan 0.000 0.508 111 G N -0.034 108.765 108.800 -0.001 0.000 2.241 111 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.244 111 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.244 111 G C 0.693 175.593 174.900 -0.000 0.000 0.998 111 G CA 0.495 45.594 45.100 -0.001 0.000 0.621 111 G HN 0.747 nan 8.290 nan 0.000 0.519 112 T N -0.665 113.889 114.554 -0.001 0.000 2.770 112 T HA 0.643 4.992 4.350 -0.002 0.000 0.281 112 T C 0.464 175.164 174.700 0.001 0.000 0.981 112 T CA 0.787 62.886 62.100 -0.001 0.000 0.955 112 T CB 1.677 70.542 68.868 -0.004 0.000 1.060 112 T HN 1.429 nan 8.240 nan 0.000 0.531 113 T N -1.854 112.699 114.554 -0.001 0.000 2.908 113 T HA 0.669 5.018 4.350 -0.002 0.000 0.290 113 T C -0.176 174.517 174.700 -0.013 0.000 1.034 113 T CA -0.685 61.415 62.100 -0.000 0.000 1.010 113 T CB 1.293 70.165 68.868 0.006 0.000 1.068 113 T HN 1.202 nan 8.240 nan 0.000 0.481 114 V N -0.987 118.914 119.914 -0.022 0.000 2.769 114 V HA 0.687 4.806 4.120 -0.002 0.000 0.312 114 V C -0.756 175.294 176.094 -0.073 0.000 1.058 114 V CA -1.017 61.258 62.300 -0.043 0.000 0.952 114 V CB 1.390 33.185 31.823 -0.046 0.000 1.019 114 V HN 0.914 nan 8.190 nan 0.000 0.445 115 D N 2.428 122.777 120.400 -0.085 0.000 2.317 115 D HA 0.384 5.023 4.640 -0.002 0.000 0.252 115 D C -0.244 175.942 176.300 -0.191 0.000 1.174 115 D CA 0.336 54.262 54.000 -0.123 0.000 0.866 115 D CB 0.808 41.556 40.800 -0.086 0.000 1.127 115 D HN 0.602 nan 8.370 nan 0.000 0.467 116 K N 4.041 124.232 120.400 -0.348 0.000 2.323 116 K HA 0.374 4.693 4.320 -0.002 0.000 0.259 116 K C -2.410 173.940 176.600 -0.417 0.000 0.947 116 K CA -1.915 54.110 56.287 -0.438 0.000 0.819 116 K CB 1.929 34.011 32.500 -0.697 0.000 1.109 116 K HN 0.318 nan 8.250 nan 0.000 0.429 117 P HA 0.120 nan 4.420 nan 0.000 0.274 117 P C -1.144 176.103 177.300 -0.089 0.000 1.231 117 P CA -0.563 62.458 63.100 -0.132 0.000 0.790 117 P CB 0.859 32.510 31.700 -0.082 0.000 0.951 118 L N 1.018 122.231 121.223 -0.016 0.000 2.555 118 L HA 0.367 4.706 4.340 -0.002 0.000 0.264 118 L C -0.403 176.471 176.870 0.007 0.000 0.972 118 L CA -0.575 54.297 54.840 0.052 0.000 0.876 118 L CB 1.499 43.678 42.059 0.201 0.000 1.216 118 L HN 0.323 nan 8.230 nan 0.000 0.415 119 E N 4.642 124.827 120.200 -0.025 0.000 2.316 119 E HA 0.392 4.741 4.350 -0.002 0.000 0.275 119 E C -0.947 175.597 176.600 -0.094 0.000 1.029 119 E CA -0.216 56.151 56.400 -0.056 0.000 0.871 119 E CB 0.760 30.418 29.700 -0.070 0.000 1.022 119 E HN 0.657 nan 8.360 nan 0.000 0.418 120 I N 5.731 126.243 120.570 -0.097 0.000 2.359 120 I HA 0.306 4.474 4.170 -0.002 0.000 0.284 120 I C 0.024 176.050 176.117 -0.151 0.000 1.018 120 I CA -0.509 60.706 61.300 -0.142 0.000 1.173 120 I CB 1.068 39.008 38.000 -0.099 0.000 1.326 120 I HN 0.372 nan 8.210 nan 0.000 0.462 121 R N 4.100 124.459 120.500 -0.234 0.000 2.474 121 R HA 0.709 5.048 4.340 -0.002 0.000 0.295 121 R C -0.725 175.450 176.300 -0.208 0.000 0.980 121 R CA -0.593 55.361 56.100 -0.244 0.000 0.934 121 R CB 2.043 32.044 30.300 -0.498 0.000 1.101 121 R HN 0.470 nan 8.270 nan 0.000 0.469 122 S N 0.464 116.137 115.700 -0.046 0.000 2.541 122 S HA 0.365 4.833 4.470 -0.002 0.000 0.280 122 S C -0.545 174.154 174.600 0.164 0.000 1.112 122 S CA -0.864 57.340 58.200 0.007 0.000 0.925 122 S CB 2.001 65.196 63.200 -0.008 0.000 1.067 122 S HN 0.709 nan 8.310 nan 0.000 0.479 123 S N 0.531 116.264 115.700 0.056 0.000 2.758 123 S HA 0.502 4.971 4.470 -0.002 0.000 0.292 123 S C 1.153 175.689 174.600 -0.107 0.000 1.131 123 S CA -0.527 57.610 58.200 -0.106 0.000 0.997 123 S CB 0.788 63.698 63.200 -0.483 0.000 1.111 123 S HN 0.522 nan 8.310 nan 0.000 0.552 124 V N 1.275 121.052 119.914 -0.228 0.000 2.594 124 V HA -0.172 3.947 4.120 -0.002 0.000 0.253 124 V C 2.053 177.924 176.094 -0.373 0.000 1.069 124 V CA 2.302 64.400 62.300 -0.337 0.000 1.082 124 V CB -1.507 30.002 31.823 -0.524 0.000 0.680 124 V HN 0.924 nan 8.190 nan 0.000 0.469 125 H N 0.351 119.224 119.070 -0.329 0.000 2.357 125 H HA 0.437 4.992 4.556 -0.002 0.000 0.301 125 H C 1.040 176.265 175.328 -0.172 0.000 1.082 125 H CA 1.013 56.858 56.048 -0.338 0.000 1.342 125 H CB -0.212 29.273 29.762 -0.462 0.000 1.389 125 H HN 0.641 nan 8.280 nan 0.000 0.511 126 G N -1.424 107.394 108.800 0.029 0.000 2.345 126 G HA2 0.140 4.099 3.960 -0.002 0.000 0.285 126 G HA3 0.140 4.099 3.960 -0.002 0.000 0.285 126 G C -2.884 172.026 174.900 0.016 0.000 1.297 126 G CA -1.177 43.941 45.100 0.031 0.000 0.875 126 G HN -0.118 nan 8.290 nan 0.000 0.506 127 P HA 0.373 nan 4.420 nan 0.000 0.266 127 P C -0.214 177.003 177.300 -0.138 0.000 1.195 127 P CA -0.128 62.919 63.100 -0.090 0.000 0.768 127 P CB 0.999 32.663 31.700 -0.060 0.000 0.838 128 V N 4.469 124.180 119.914 -0.339 0.000 2.435 128 V HA 0.429 4.548 4.120 -0.002 0.000 0.290 128 V C -0.142 175.631 176.094 -0.536 0.000 1.030 128 V CA -0.168 61.954 62.300 -0.297 0.000 0.881 128 V CB 0.450 32.075 31.823 -0.330 0.000 0.983 128 V HN 0.346 nan 8.190 nan 0.000 0.445 129 F N 1.908 121.810 119.950 -0.080 0.000 2.546 129 F HA 0.533 5.059 4.527 -0.002 0.000 0.320 129 F C 0.270 176.032 175.800 -0.062 0.000 1.076 129 F CA -0.771 57.188 58.000 -0.067 0.000 0.928 129 F CB 1.831 40.804 39.000 -0.046 0.000 1.189 129 F HN 0.440 nan 8.300 nan 0.000 0.465 130 E N 2.948 123.219 120.200 0.119 0.000 2.134 130 E HA 0.353 4.702 4.350 -0.002 0.000 0.278 130 E C -0.467 176.177 176.600 0.073 0.000 0.959 130 E CA -0.657 55.780 56.400 0.062 0.000 0.783 130 E CB 0.820 30.529 29.700 0.015 0.000 1.095 130 E HN 0.543 nan 8.360 nan 0.000 0.399 131 R N 2.207 122.737 120.500 0.051 0.000 2.707 131 R HA 0.175 4.514 4.340 -0.002 0.000 0.270 131 R C 1.129 177.441 176.300 0.019 0.000 1.083 131 R CA 0.377 56.493 56.100 0.027 0.000 1.182 131 R CB 0.475 30.781 30.300 0.011 0.000 1.084 131 R HN 0.694 nan 8.270 nan 0.000 0.528 132 A N 1.565 124.392 122.820 0.011 0.000 1.940 132 A HA -0.220 4.099 4.320 -0.002 0.000 0.219 132 A C 1.353 178.941 177.584 0.007 0.000 1.176 132 A CA 2.113 54.155 52.037 0.008 0.000 0.631 132 A CB -0.542 18.459 19.000 0.002 0.000 0.814 132 A HN 0.868 nan 8.150 nan 0.000 0.446 133 D N -2.573 117.831 120.400 0.005 0.000 2.349 133 D HA 0.302 4.941 4.640 -0.002 0.000 0.224 133 D C 1.128 177.434 176.300 0.010 0.000 1.029 133 D CA 0.987 54.991 54.000 0.005 0.000 0.879 133 D CB -0.441 40.360 40.800 0.002 0.000 0.906 133 D HN 0.800 nan 8.370 nan 0.000 0.528 134 G N -0.613 108.195 108.800 0.013 0.000 2.194 134 G HA2 -0.258 3.700 3.960 -0.002 0.000 0.236 134 G HA3 -0.258 3.700 3.960 -0.002 0.000 0.236 134 G C 0.411 175.324 174.900 0.022 0.000 0.987 134 G CA 0.154 45.265 45.100 0.018 0.000 0.635 134 G HN 0.438 nan 8.290 nan 0.000 0.520 135 T N 1.851 116.417 114.554 0.020 0.000 2.867 135 T HA 0.506 4.855 4.350 -0.002 0.000 0.297 135 T C 0.643 175.361 174.700 0.031 0.000 0.989 135 T CA 0.712 62.825 62.100 0.022 0.000 1.159 135 T CB 1.468 70.342 68.868 0.011 0.000 0.928 135 T HN 1.376 nan 8.240 nan 0.000 0.538 136 A N 3.908 126.750 122.820 0.038 0.000 2.276 136 A HA 0.598 4.917 4.320 -0.002 0.000 0.300 136 A C -0.229 177.379 177.584 0.038 0.000 1.235 136 A CA -0.584 51.476 52.037 0.038 0.000 0.867 136 A CB 0.376 19.410 19.000 0.056 0.000 1.137 136 A HN 0.692 nan 8.150 nan 0.000 0.527 137 V N 2.270 122.216 119.914 0.053 0.000 2.483 137 V HA 0.643 4.762 4.120 -0.002 0.000 0.297 137 V C 0.338 176.490 176.094 0.097 0.000 1.027 137 V CA -0.395 61.942 62.300 0.062 0.000 0.855 137 V CB 1.525 33.388 31.823 0.066 0.000 0.995 137 V HN 1.141 nan 8.190 nan 0.000 0.424 138 A N 4.219 127.070 122.820 0.053 0.000 2.292 138 A HA 0.794 5.113 4.320 -0.002 0.000 0.319 138 A C -0.580 177.113 177.584 0.181 0.000 1.206 138 A CA -0.533 51.550 52.037 0.076 0.000 0.835 138 A CB 1.552 20.518 19.000 -0.056 0.000 1.164 138 A HN 0.895 nan 8.150 nan 0.000 0.505 139 V N 3.614 123.661 119.914 0.223 0.000 2.435 139 V HA 0.643 4.761 4.120 -0.002 0.000 0.290 139 V C 0.025 176.254 176.094 0.225 0.000 1.030 139 V CA -0.699 61.732 62.300 0.218 0.000 0.881 139 V CB 1.293 33.223 31.823 0.178 0.000 0.983 139 V HN 0.919 nan 8.190 nan 0.000 0.445 140 R N 5.180 125.844 120.500 0.273 0.000 2.388 140 R HA 0.671 5.009 4.340 -0.002 0.000 0.314 140 R C -1.863 174.650 176.300 0.355 0.000 0.959 140 R CA -0.451 55.797 56.100 0.246 0.000 0.851 140 R CB 1.755 32.181 30.300 0.210 0.000 1.168 140 R HN 0.604 nan 8.270 nan 0.000 0.472 141 V N 3.929 124.014 119.914 0.285 0.000 2.417 141 V HA 0.533 4.651 4.120 -0.002 0.000 0.291 141 V C 0.394 176.697 176.094 0.348 0.000 1.024 141 V CA -0.833 61.635 62.300 0.279 0.000 0.861 141 V CB 1.394 33.309 31.823 0.153 0.000 0.985 141 V HN 0.928 nan 8.190 nan 0.000 0.436 142 A N 3.356 126.390 122.820 0.355 0.000 2.332 142 A HA 0.648 4.967 4.320 -0.002 0.000 0.258 142 A C 1.357 179.016 177.584 0.125 0.000 1.087 142 A CA 0.411 52.608 52.037 0.266 0.000 0.802 142 A CB 0.125 19.120 19.000 -0.008 0.000 1.042 142 A HN 2.216 nan 8.150 nan 0.000 0.489 143 G N -0.189 108.675 108.800 0.106 0.000 2.143 143 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.248 143 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.248 143 G C 0.536 175.470 174.900 0.056 0.000 0.991 143 G CA 0.469 45.602 45.100 0.056 0.000 0.689 143 G HN 0.787 nan 8.290 nan 0.000 0.522 144 L N 0.522 121.790 121.223 0.075 0.000 2.456 144 L HA 0.076 4.415 4.340 -0.002 0.000 0.224 144 L C 1.862 178.758 176.870 0.043 0.000 1.148 144 L CA 1.415 56.289 54.840 0.058 0.000 0.825 144 L CB -0.150 41.948 42.059 0.064 0.000 0.937 144 L HN 0.478 nan 8.230 nan 0.000 0.450 145 D N -0.914 119.512 120.400 0.044 0.000 2.525 145 D HA 0.002 4.640 4.640 -0.002 0.000 0.229 145 D C 0.382 176.696 176.300 0.024 0.000 1.202 145 D CA -0.199 53.821 54.000 0.032 0.000 0.828 145 D CB 0.237 41.058 40.800 0.034 0.000 1.008 145 D HN 0.035 nan 8.370 nan 0.000 0.493 146 R N 1.674 122.187 120.500 0.023 0.000 2.724 146 R HA 0.246 4.585 4.340 -0.002 0.000 0.284 146 R C -1.897 174.413 176.300 0.017 0.000 1.481 146 R CA -1.298 54.812 56.100 0.015 0.000 1.652 146 R CB 0.877 31.183 30.300 0.011 0.000 1.175 146 R HN 0.128 nan 8.270 nan 0.000 0.613 147 P HA -0.014 nan 4.420 nan 0.000 0.237 147 P C 0.817 178.130 177.300 0.021 0.000 1.178 147 P CA 0.627 63.738 63.100 0.019 0.000 0.766 147 P CB 0.406 32.115 31.700 0.015 0.000 0.876 148 G N -0.175 108.636 108.800 0.018 0.000 3.448 148 G HA2 0.014 3.973 3.960 -0.002 0.000 0.261 148 G HA3 0.014 3.973 3.960 -0.002 0.000 0.261 148 G C 1.132 176.051 174.900 0.032 0.000 1.173 148 G CA -0.211 44.902 45.100 0.021 0.000 0.835 148 G HN 0.036 nan 8.290 nan 0.000 0.534 149 M N 0.227 119.856 119.600 0.048 0.000 2.082 149 M HA -0.052 4.427 4.480 -0.002 0.000 0.258 149 M C 2.333 178.723 176.300 0.150 0.000 1.071 149 M CA 1.606 56.957 55.300 0.086 0.000 1.103 149 M CB -0.511 32.157 32.600 0.114 0.000 1.307 149 M HN 0.312 nan 8.290 nan 0.000 0.409 150 L N -0.475 120.829 121.223 0.135 0.000 2.046 150 L HA -0.210 4.128 4.340 -0.002 0.000 0.208 150 L C 2.449 179.416 176.870 0.162 0.000 1.077 150 L CA 1.578 56.510 54.840 0.153 0.000 0.747 150 L CB -0.766 41.334 42.059 0.067 0.000 0.896 150 L HN 0.413 nan 8.230 nan 0.000 0.432 151 E N -0.157 120.108 120.200 0.108 0.000 2.150 151 E HA -0.276 4.073 4.350 -0.002 0.000 0.193 151 E C 2.213 178.904 176.600 0.150 0.000 0.985 151 E CA 0.952 57.434 56.400 0.137 0.000 0.814 151 E CB 0.074 29.824 29.700 0.083 0.000 0.752 151 E HN 0.446 nan 8.360 nan 0.000 0.466 152 Q N -0.500 119.346 119.800 0.075 0.000 2.050 152 Q HA -0.218 4.121 4.340 -0.002 0.000 0.202 152 Q C 1.795 177.794 176.000 -0.002 0.000 0.980 152 Q CA 1.597 57.391 55.803 -0.015 0.000 0.840 152 Q CB -0.219 28.457 28.738 -0.104 0.000 0.898 152 Q HN 0.438 nan 8.270 nan 0.000 0.424 153 Y N -0.536 119.795 120.300 0.052 0.000 2.151 153 Y HA -0.292 4.257 4.550 -0.002 0.000 0.284 153 Y C 2.091 178.043 175.900 0.086 0.000 1.166 153 Y CA 1.527 59.664 58.100 0.061 0.000 1.163 153 Y CB -0.249 38.246 38.460 0.058 0.000 0.974 153 Y HN 0.291 nan 8.280 nan 0.000 0.511 154 F N 1.089 121.107 119.950 0.113 0.000 2.134 154 F HA -0.233 4.293 4.527 -0.002 0.000 0.299 154 F C 1.881 177.661 175.800 -0.034 0.000 1.097 154 F CA 1.780 59.775 58.000 -0.008 0.000 1.264 154 F CB -0.422 38.537 39.000 -0.067 0.000 1.001 154 F HN 0.012 nan 8.300 nan 0.000 0.479 155 D N -0.038 120.318 120.400 -0.073 0.000 2.149 155 D HA -0.138 4.501 4.640 -0.002 0.000 0.201 155 D C 2.369 178.616 176.300 -0.088 0.000 0.972 155 D CA 1.322 55.224 54.000 -0.162 0.000 0.835 155 D CB -0.332 40.436 40.800 -0.053 0.000 0.966 155 D HN 0.339 nan 8.370 nan 0.000 0.476 156 M N 0.490 120.087 119.600 -0.006 0.000 2.080 156 M HA -0.104 4.375 4.480 -0.002 0.000 0.260 156 M C 2.274 178.720 176.300 0.242 0.000 1.068 156 M CA 1.273 56.668 55.300 0.159 0.000 1.109 156 M CB -0.290 32.400 32.600 0.149 0.000 1.342 156 M HN 0.082 nan 8.290 nan 0.000 0.405 157 I N -2.433 118.207 120.570 0.116 0.000 3.059 157 I HA -0.029 4.140 4.170 -0.002 0.000 0.270 157 I C 1.517 177.621 176.117 -0.021 0.000 1.238 157 I CA 1.282 62.634 61.300 0.087 0.000 1.478 157 I CB -0.704 37.355 38.000 0.098 0.000 1.097 157 I HN 0.246 nan 8.210 nan 0.000 0.455 158 T N -1.034 113.416 114.554 -0.174 0.000 3.134 158 T HA 0.543 4.892 4.350 -0.002 0.000 0.260 158 T C 0.889 175.545 174.700 -0.074 0.000 1.027 158 T CA 0.021 62.004 62.100 -0.196 0.000 0.913 158 T CB -0.240 68.306 68.868 -0.537 0.000 1.046 158 T HN 0.350 nan 8.240 nan 0.000 0.553 159 A N 1.678 124.506 122.820 0.014 0.000 2.567 159 A HA 0.193 4.512 4.320 -0.002 0.000 0.240 159 A C 1.125 178.761 177.584 0.087 0.000 1.053 159 A CA -0.140 51.942 52.037 0.076 0.000 0.755 159 A CB -0.004 19.117 19.000 0.203 0.000 0.978 159 A HN 0.318 nan 8.150 nan 0.000 0.507 160 D N 0.271 120.712 120.400 0.068 0.000 2.317 160 D HA 0.058 4.697 4.640 -0.002 0.000 0.211 160 D C 0.754 177.111 176.300 0.094 0.000 0.966 160 D CA 1.642 55.685 54.000 0.072 0.000 0.876 160 D CB 0.085 40.918 40.800 0.055 0.000 0.927 160 D HN 0.704 nan 8.370 nan 0.000 0.519 161 S N -1.755 114.018 115.700 0.122 0.000 2.615 161 S HA 0.214 4.683 4.470 -0.002 0.000 0.269 161 S C 0.314 175.046 174.600 0.220 0.000 1.161 161 S CA -0.856 57.438 58.200 0.157 0.000 0.817 161 S CB 0.566 63.831 63.200 0.108 0.000 1.131 161 S HN -0.118 nan 8.310 nan 0.000 0.467 162 F N 1.743 121.742 119.950 0.081 0.000 2.134 162 F HA -0.020 4.506 4.527 -0.002 0.000 0.299 162 F C 1.720 177.516 175.800 -0.006 0.000 1.097 162 F CA 2.107 60.087 58.000 -0.033 0.000 1.264 162 F CB -0.530 38.411 39.000 -0.099 0.000 1.001 162 F HN 0.694 nan 8.300 nan 0.000 0.479 163 D N 0.395 120.752 120.400 -0.072 0.000 2.104 163 D HA -0.190 4.448 4.640 -0.002 0.000 0.194 163 D C 1.872 178.076 176.300 -0.160 0.000 0.994 163 D CA 1.680 55.584 54.000 -0.161 0.000 0.830 163 D CB -0.508 40.270 40.800 -0.037 0.000 0.959 163 D HN 0.326 nan 8.370 nan 0.000 0.452 164 D N -0.463 119.900 120.400 -0.062 0.000 2.144 164 D HA -0.164 4.475 4.640 -0.002 0.000 0.199 164 D C 1.925 178.180 176.300 -0.075 0.000 0.984 164 D CA 0.566 54.536 54.000 -0.049 0.000 0.834 164 D CB -0.463 40.341 40.800 0.007 0.000 0.955 164 D HN 0.316 nan 8.370 nan 0.000 0.465 165 Y N 1.842 122.032 120.300 -0.184 0.000 2.145 165 Y HA -0.170 4.379 4.550 -0.002 0.000 0.286 165 Y C 2.067 177.777 175.900 -0.317 0.000 1.145 165 Y CA 1.715 59.694 58.100 -0.202 0.000 1.148 165 Y CB -0.123 38.229 38.460 -0.180 0.000 0.981 165 Y HN -0.055 nan 8.280 nan 0.000 0.507 166 E N -0.086 119.760 120.200 -0.590 0.000 2.106 166 E HA -0.173 4.176 4.350 -0.002 0.000 0.192 166 E C 2.319 178.665 176.600 -0.423 0.000 0.984 166 E CA 0.821 56.843 56.400 -0.630 0.000 0.806 166 E CB -0.273 29.035 29.700 -0.654 0.000 0.750 166 E HN 0.602 nan 8.360 nan 0.000 0.458 167 A N 1.421 124.056 122.820 -0.309 0.000 1.930 167 A HA -0.069 4.250 4.320 -0.002 0.000 0.217 167 A C 2.356 179.812 177.584 -0.213 0.000 1.175 167 A CA 1.517 53.428 52.037 -0.210 0.000 0.627 167 A CB -0.432 18.483 19.000 -0.142 0.000 0.815 167 A HN 0.285 nan 8.150 nan 0.000 0.443 168 A N -0.393 122.277 122.820 -0.251 0.000 1.877 168 A HA -0.033 4.286 4.320 -0.002 0.000 0.216 168 A C 2.098 179.505 177.584 -0.294 0.000 1.186 168 A CA 1.684 53.581 52.037 -0.233 0.000 0.620 168 A CB -0.679 18.194 19.000 -0.212 0.000 0.822 168 A HN 0.642 nan 8.150 nan 0.000 0.443 169 L N -0.107 120.844 121.223 -0.454 0.000 2.079 169 L HA -0.095 4.244 4.340 -0.002 0.000 0.210 169 L C 2.566 179.266 176.870 -0.283 0.000 1.081 169 L CA 2.094 56.669 54.840 -0.443 0.000 0.752 169 L CB -0.647 41.036 42.059 -0.627 0.000 0.896 169 L HN 0.350 nan 8.230 nan 0.000 0.433 170 A N -0.853 121.818 122.820 -0.247 0.000 2.121 170 A HA -0.149 4.170 4.320 -0.002 0.000 0.218 170 A C 2.264 179.776 177.584 -0.120 0.000 1.154 170 A CA 1.028 52.967 52.037 -0.162 0.000 0.679 170 A CB -0.576 18.336 19.000 -0.146 0.000 0.795 170 A HN 0.510 nan 8.150 nan 0.000 0.458 171 R N -1.365 119.059 120.500 -0.127 0.000 2.249 171 R HA -0.072 4.267 4.340 -0.002 0.000 0.230 171 R C 0.054 176.308 176.300 -0.077 0.000 1.121 171 R CA 0.822 56.869 56.100 -0.089 0.000 0.997 171 R CB -0.355 29.894 30.300 -0.086 0.000 0.867 171 R HN 0.408 nan 8.270 nan 0.000 0.465 172 M N 0.498 120.041 119.600 -0.096 0.000 2.360 172 M HA -0.224 4.255 4.480 -0.002 0.000 0.202 172 M C -0.095 176.168 176.300 -0.062 0.000 0.390 172 M CA 0.953 56.206 55.300 -0.078 0.000 0.470 172 M CB -1.891 30.679 32.600 -0.050 0.000 1.637 172 M HN 0.232 nan 8.290 nan 0.000 0.885 173 Q N -0.910 118.847 119.800 -0.072 0.000 2.356 173 Q HA 0.300 4.639 4.340 -0.002 0.000 0.205 173 Q C 0.689 176.668 176.000 -0.035 0.000 0.901 173 Q CA 0.355 56.133 55.803 -0.042 0.000 0.938 173 Q CB 1.004 29.723 28.738 -0.031 0.000 1.081 173 Q HN 0.532 nan 8.270 nan 0.000 0.517 174 V N 4.894 124.763 119.914 -0.075 0.000 2.333 174 V HA 0.131 4.249 4.120 -0.002 0.000 0.274 174 V C -1.546 174.521 176.094 -0.043 0.000 1.028 174 V CA -1.049 61.229 62.300 -0.037 0.000 0.851 174 V CB 1.551 33.285 31.823 -0.149 0.000 1.000 174 V HN 0.049 nan 8.190 nan 0.000 0.456 175 P HA 0.086 nan 4.420 nan 0.000 0.249 175 P C 0.477 177.662 177.300 -0.190 0.000 1.229 175 P CA 0.679 63.722 63.100 -0.095 0.000 0.788 175 P CB 0.815 32.473 31.700 -0.070 0.000 1.072 176 T N -1.593 112.797 114.554 -0.275 0.000 2.648 176 T HA 0.559 4.908 4.350 -0.002 0.000 0.304 176 T C -1.733 172.715 174.700 -0.420 0.000 1.312 176 T CA -0.415 61.395 62.100 -0.483 0.000 1.023 176 T CB 0.106 68.567 68.868 -0.678 0.000 1.612 176 T HN -0.094 nan 8.240 nan 0.000 0.487 177 F N 0.128 119.975 119.950 -0.171 0.000 2.180 177 F HA -0.099 4.426 4.527 -0.002 0.000 0.348 177 F C 0.211 175.865 175.800 -0.244 0.000 1.291 177 F CA -0.790 57.124 58.000 -0.144 0.000 1.030 177 F CB -0.469 38.511 39.000 -0.032 0.000 3.993 177 F HN 0.533 nan 8.300 nan 0.000 0.278 178 N N 3.036 121.748 118.700 0.020 0.000 2.530 178 N HA 0.663 5.402 4.740 -0.002 0.000 0.273 178 N C -0.500 175.038 175.510 0.048 0.000 1.173 178 N CA 0.002 53.038 53.050 -0.024 0.000 0.967 178 N CB 1.100 39.691 38.487 0.174 0.000 1.109 178 N HN 0.470 nan 8.380 nan 0.000 0.453 179 I N 1.360 121.919 120.570 -0.019 0.000 2.534 179 I HA 0.273 4.442 4.170 -0.002 0.000 0.288 179 I C -0.613 175.591 176.117 0.144 0.000 1.077 179 I CA -0.846 60.499 61.300 0.075 0.000 1.051 179 I CB 2.086 40.136 38.000 0.084 0.000 1.234 179 I HN -0.037 nan 8.210 nan 0.000 0.425 180 V N 6.172 126.214 119.914 0.213 0.000 2.628 180 V HA 0.469 4.588 4.120 -0.002 0.000 0.306 180 V C -1.195 175.054 176.094 0.257 0.000 1.045 180 V CA -0.723 61.743 62.300 0.276 0.000 0.905 180 V CB 2.236 34.243 31.823 0.308 0.000 0.997 180 V HN 0.616 nan 8.190 nan 0.000 0.436 181 Y N 2.938 123.279 120.300 0.068 0.000 2.524 181 Y HA 0.825 5.373 4.550 -0.002 0.000 0.347 181 Y C -0.401 175.442 175.900 -0.095 0.000 1.005 181 Y CA -0.465 57.581 58.100 -0.091 0.000 1.025 181 Y CB 1.932 40.207 38.460 -0.309 0.000 1.275 181 Y HN 0.816 nan 8.280 nan 0.000 0.460 182 A N 3.931 126.403 122.820 -0.579 0.000 2.572 182 A HA 0.717 5.036 4.320 -0.002 0.000 0.295 182 A C -1.953 174.940 177.584 -1.153 0.000 1.072 182 A CA -0.385 51.328 52.037 -0.540 0.000 0.691 182 A CB 1.679 20.555 19.000 -0.206 0.000 1.291 182 A HN 0.829 nan 8.150 nan 0.000 0.404 183 D N -1.135 118.755 120.400 -0.851 0.000 2.626 183 D HA 0.334 4.973 4.640 -0.002 0.000 0.278 183 D C 0.618 176.594 176.300 -0.540 0.000 1.211 183 D CA -0.502 52.949 54.000 -0.915 0.000 0.903 183 D CB 0.625 41.144 40.800 -0.467 0.000 1.408 183 D HN 0.522 nan 8.370 nan 0.000 0.454 184 R N -0.207 120.095 120.500 -0.329 0.000 2.235 184 R HA -0.031 4.308 4.340 -0.002 0.000 0.213 184 R C 0.385 176.666 176.300 -0.033 0.000 1.059 184 R CA 0.894 56.966 56.100 -0.046 0.000 0.997 184 R CB -0.349 29.990 30.300 0.064 0.000 0.884 184 R HN 0.437 nan 8.270 nan 0.000 0.462 185 E N 0.530 120.699 120.200 -0.052 0.000 2.435 185 E HA 0.045 4.393 4.350 -0.002 0.000 0.195 185 E C 1.174 177.752 176.600 -0.037 0.000 1.029 185 E CA 0.811 57.198 56.400 -0.022 0.000 0.865 185 E CB 0.286 29.989 29.700 0.004 0.000 0.833 185 E HN 0.626 nan 8.360 nan 0.000 0.510 186 G N 0.928 109.687 108.800 -0.068 0.000 2.192 186 G HA2 -0.209 3.749 3.960 -0.002 0.000 0.193 186 G HA3 -0.209 3.749 3.960 -0.002 0.000 0.193 186 G C 0.350 175.196 174.900 -0.090 0.000 0.999 186 G CA 0.126 45.187 45.100 -0.066 0.000 0.659 186 G HN 0.246 nan 8.290 nan 0.000 0.503 187 T N 1.797 116.279 114.554 -0.120 0.000 2.884 187 T HA 0.584 4.932 4.350 -0.002 0.000 0.298 187 T C 0.574 175.191 174.700 -0.139 0.000 0.998 187 T CA 0.797 62.774 62.100 -0.204 0.000 1.124 187 T CB 1.065 69.699 68.868 -0.390 0.000 0.931 187 T HN 0.984 nan 8.240 nan 0.000 0.531 188 I N 0.756 121.242 120.570 -0.139 0.000 2.828 188 I HA 0.741 4.909 4.170 -0.002 0.000 0.302 188 I C -0.769 175.337 176.117 -0.019 0.000 1.101 188 I CA -0.951 60.344 61.300 -0.009 0.000 1.031 188 I CB 2.443 40.464 38.000 0.035 0.000 1.231 188 I HN 0.457 nan 8.210 nan 0.000 0.427 189 N N 2.943 121.723 118.700 0.133 0.000 2.367 189 N HA 0.315 5.054 4.740 -0.002 0.000 0.278 189 N C -2.360 173.335 175.510 0.308 0.000 1.117 189 N CA -0.353 52.815 53.050 0.196 0.000 0.867 189 N CB 2.947 41.579 38.487 0.241 0.000 1.649 189 N HN 0.804 nan 8.380 nan 0.000 0.479 190 Y N 1.709 122.120 120.300 0.186 0.000 2.364 190 Y HA 0.586 5.135 4.550 -0.002 0.000 0.340 190 Y C -1.329 174.691 175.900 0.199 0.000 0.975 190 Y CA -0.248 57.968 58.100 0.193 0.000 1.089 190 Y CB 1.493 40.054 38.460 0.168 0.000 1.192 190 Y HN 0.371 nan 8.280 nan 0.000 0.454 191 S N 6.738 122.092 115.700 -0.577 0.000 2.594 191 S HA 0.303 4.772 4.470 -0.002 0.000 0.296 191 S C -1.371 172.809 174.600 -0.700 0.000 1.124 191 S CA -0.650 57.250 58.200 -0.500 0.000 1.011 191 S CB 0.845 63.954 63.200 -0.151 0.000 1.016 191 S HN 0.663 nan 8.310 nan 0.000 0.485 192 F N 4.241 123.784 119.950 -0.678 0.000 2.541 192 F HA 0.327 4.853 4.527 -0.002 0.000 0.347 192 F C 0.348 176.002 175.800 -0.244 0.000 1.242 192 F CA -0.344 57.426 58.000 -0.384 0.000 1.123 192 F CB -0.322 38.512 39.000 -0.276 0.000 1.354 192 F HN 0.593 nan 8.300 nan 0.000 0.621 193 N N 3.415 121.897 118.700 -0.363 0.000 2.508 193 N HA 0.782 5.521 4.740 -0.002 0.000 0.285 193 N C -0.201 175.128 175.510 -0.301 0.000 1.144 193 N CA 0.428 53.330 53.050 -0.247 0.000 0.978 193 N CB 1.483 39.869 38.487 -0.168 0.000 1.180 193 N HN 0.811 nan 8.380 nan 0.000 0.484 194 G N -0.451 108.238 108.800 -0.185 0.000 2.356 194 G HA2 0.141 4.100 3.960 -0.002 0.000 0.300 194 G HA3 0.141 4.100 3.960 -0.002 0.000 0.300 194 G C -1.890 172.950 174.900 -0.100 0.000 1.331 194 G CA -0.720 44.277 45.100 -0.171 0.000 0.905 194 G HN 0.476 nan 8.290 nan 0.000 0.587 195 V N 1.105 120.962 119.914 -0.095 0.000 2.304 195 V HA 0.653 4.772 4.120 -0.002 0.000 0.269 195 V C 0.675 176.709 176.094 -0.100 0.000 1.036 195 V CA 0.144 62.401 62.300 -0.071 0.000 0.840 195 V CB 0.622 32.409 31.823 -0.061 0.000 1.036 195 V HN 1.553 nan 8.190 nan 0.000 0.466 196 A N 7.882 130.669 122.820 -0.056 0.000 2.287 196 A HA 0.846 5.165 4.320 -0.002 0.000 0.317 196 A C -2.707 174.787 177.584 -0.150 0.000 1.220 196 A CA -1.909 50.084 52.037 -0.072 0.000 0.835 196 A CB 0.936 19.992 19.000 0.094 0.000 1.180 196 A HN 0.575 nan 8.150 nan 0.000 0.500 197 P HA 0.046 nan 4.420 nan 0.000 0.264 197 P C -0.545 176.453 177.300 -0.503 0.000 1.193 197 P CA 0.246 62.877 63.100 -0.782 0.000 0.763 197 P CB 0.359 30.925 31.700 -1.890 0.000 0.810 198 K N 4.340 124.517 120.400 -0.370 0.000 2.383 198 K HA 0.171 4.490 4.320 -0.002 0.000 0.286 198 K C 0.293 176.745 176.600 -0.246 0.000 1.051 198 K CA 0.163 56.278 56.287 -0.288 0.000 0.974 198 K CB 0.340 32.659 32.500 -0.302 0.000 0.968 198 K HN 0.387 nan 8.250 nan 0.000 0.475 199 R N 0.848 121.154 120.500 -0.323 0.000 2.854 199 R HA 0.365 4.704 4.340 -0.002 0.000 0.271 199 R C 0.323 176.717 176.300 0.156 0.000 0.996 199 R CA -0.482 55.496 56.100 -0.202 0.000 0.961 199 R CB 1.295 31.206 30.300 -0.649 0.000 1.182 199 R HN 0.625 nan 8.270 nan 0.000 0.479 200 A N 0.609 123.571 122.820 0.236 0.000 2.115 200 A HA 0.090 4.409 4.320 -0.002 0.000 0.211 200 A C 0.040 177.785 177.584 0.268 0.000 1.169 200 A CA 0.681 52.856 52.037 0.231 0.000 0.787 200 A CB -0.195 18.902 19.000 0.162 0.000 0.858 200 A HN 0.745 nan 8.150 nan 0.000 0.474 201 E N -2.777 117.638 120.200 0.359 0.000 2.449 201 E HA 0.537 4.885 4.350 -0.002 0.000 0.278 201 E C -0.160 176.727 176.600 0.479 0.000 0.992 201 E CA -0.898 55.692 56.400 0.316 0.000 0.807 201 E CB 1.042 30.843 29.700 0.170 0.000 1.350 201 E HN 1.222 nan 8.360 nan 0.000 0.462 202 G N 1.675 110.629 108.800 0.257 0.000 3.039 202 G HA2 0.005 3.964 3.960 -0.002 0.000 0.686 202 G HA3 0.005 3.964 3.960 -0.002 0.000 0.686 202 G C -0.777 174.436 174.900 0.520 0.000 1.066 202 G CA -0.224 44.974 45.100 0.163 0.000 0.774 202 G HN 0.925 nan 8.290 nan 0.000 0.591 203 D N 0.916 121.536 120.400 0.367 0.000 2.478 203 D HA 0.468 5.107 4.640 -0.002 0.000 0.269 203 D C 1.868 178.489 176.300 0.535 0.000 1.232 203 D CA -0.478 53.767 54.000 0.409 0.000 1.059 203 D CB 0.585 41.532 40.800 0.244 0.000 1.104 203 D HN 0.673 nan 8.370 nan 0.000 0.566 204 I N -0.314 120.509 120.570 0.423 0.000 2.286 204 I HA -0.228 3.941 4.170 -0.002 0.000 0.248 204 I C 2.089 178.402 176.117 0.326 0.000 1.115 204 I CA 1.790 63.331 61.300 0.402 0.000 1.392 204 I CB -0.248 37.928 38.000 0.294 0.000 1.065 204 I HN 0.503 nan 8.210 nan 0.000 0.418 205 A N 0.390 123.360 122.820 0.251 0.000 1.933 205 A HA -0.266 4.053 4.320 -0.002 0.000 0.218 205 A C 2.206 179.870 177.584 0.134 0.000 1.175 205 A CA 1.746 53.884 52.037 0.167 0.000 0.628 205 A CB -1.197 17.885 19.000 0.136 0.000 0.814 205 A HN 0.617 nan 8.150 nan 0.000 0.444 206 F N -0.880 119.077 119.950 0.011 0.000 2.102 206 F HA -0.179 4.347 4.527 -0.002 0.000 0.298 206 F C 1.847 177.504 175.800 -0.238 0.000 1.105 206 F CA 1.743 59.645 58.000 -0.163 0.000 1.239 206 F CB -0.402 38.439 39.000 -0.265 0.000 0.991 206 F HN 0.376 nan 8.300 nan 0.000 0.474 207 W N 0.525 121.873 121.300 0.081 0.000 2.800 207 W HA 0.016 4.675 4.660 -0.002 0.000 0.249 207 W C 2.269 178.726 176.519 -0.104 0.000 1.294 207 W CA 0.522 57.836 57.345 -0.050 0.000 1.402 207 W CB -0.342 29.175 29.460 0.095 0.000 1.126 207 W HN 0.087 nan 8.180 nan 0.000 0.652 208 Q N -0.320 119.548 119.800 0.113 0.000 2.331 208 Q HA 0.083 4.421 4.340 -0.002 0.000 0.203 208 Q C 1.593 177.558 176.000 -0.058 0.000 0.944 208 Q CA 0.572 56.402 55.803 0.044 0.000 0.892 208 Q CB -0.071 28.709 28.738 0.070 0.000 0.983 208 Q HN 0.188 nan 8.270 nan 0.000 0.482 209 G N -0.036 108.670 108.800 -0.156 0.000 2.525 209 G HA2 0.403 4.362 3.960 -0.002 0.000 0.287 209 G HA3 0.403 4.362 3.960 -0.002 0.000 0.287 209 G C -0.666 174.064 174.900 -0.284 0.000 1.350 209 G CA -0.747 44.232 45.100 -0.201 0.000 1.039 209 G HN 0.105 nan 8.290 nan 0.000 0.513 210 L N 0.857 121.925 121.223 -0.258 0.000 2.485 210 L HA 0.167 4.506 4.340 -0.002 0.000 0.279 210 L C 0.053 176.667 176.870 -0.426 0.000 1.124 210 L CA -0.428 54.249 54.840 -0.271 0.000 0.888 210 L CB 0.607 42.569 42.059 -0.161 0.000 1.217 210 L HN -0.008 nan 8.230 nan 0.000 0.464 211 V N 5.847 125.428 119.914 -0.555 0.000 2.649 211 V HA 0.183 4.302 4.120 -0.002 0.000 0.292 211 V C -1.879 174.041 176.094 -0.290 0.000 1.055 211 V CA -1.613 60.252 62.300 -0.726 0.000 1.023 211 V CB 1.052 32.376 31.823 -0.832 0.000 0.992 211 V HN 0.588 nan 8.190 nan 0.000 0.480 212 P HA 0.105 nan 4.420 nan 0.000 0.264 212 P C 0.636 178.109 177.300 0.290 0.000 1.193 212 P CA 0.302 63.413 63.100 0.020 0.000 0.763 212 P CB 0.525 32.248 31.700 0.039 0.000 0.810 213 G N 1.860 110.809 108.800 0.248 0.000 3.434 213 G HA2 0.020 3.978 3.960 -0.002 0.000 0.258 213 G HA3 0.020 3.978 3.960 -0.002 0.000 0.258 213 G C 0.111 175.285 174.900 0.456 0.000 1.128 213 G CA -0.185 45.059 45.100 0.240 0.000 0.792 213 G HN 0.511 nan 8.290 nan 0.000 0.539 214 D N -0.814 119.810 120.400 0.375 0.000 2.501 214 D HA 0.232 4.871 4.640 -0.002 0.000 0.226 214 D C 0.229 176.553 176.300 0.040 0.000 1.198 214 D CA -0.543 53.637 54.000 0.299 0.000 0.830 214 D CB 0.440 41.355 40.800 0.193 0.000 1.014 214 D HN 0.000 nan 8.370 nan 0.000 0.496 215 S N -0.697 114.990 115.700 -0.021 0.000 2.548 215 S HA 0.292 4.761 4.470 -0.002 0.000 0.278 215 S C 0.567 175.031 174.600 -0.227 0.000 1.150 215 S CA -0.124 57.896 58.200 -0.300 0.000 0.907 215 S CB 1.025 64.204 63.200 -0.035 0.000 1.108 215 S HN 0.055 nan 8.310 nan 0.000 0.459 216 S N 3.923 119.370 115.700 -0.422 0.000 2.507 216 S HA -0.082 4.386 4.470 -0.002 0.000 0.235 216 S C 1.736 176.313 174.600 -0.037 0.000 0.988 216 S CA 0.746 58.891 58.200 -0.091 0.000 0.944 216 S CB -0.402 62.756 63.200 -0.070 0.000 0.762 216 S HN 0.760 nan 8.310 nan 0.000 0.526 217 R N 0.716 121.123 120.500 -0.154 0.000 2.119 217 R HA -0.164 4.175 4.340 -0.002 0.000 0.246 217 R C 0.998 177.186 176.300 -0.187 0.000 1.146 217 R CA 1.977 57.902 56.100 -0.291 0.000 0.962 217 R CB -0.330 29.589 30.300 -0.634 0.000 0.863 217 R HN 0.649 nan 8.270 nan 0.000 0.442 218 Y N -0.862 119.630 120.300 0.320 0.000 2.485 218 Y HA 0.172 4.720 4.550 -0.002 0.000 0.260 218 Y C -0.035 176.239 175.900 0.624 0.000 1.173 218 Y CA -0.757 57.688 58.100 0.576 0.000 1.252 218 Y CB 0.586 39.385 38.460 0.565 0.000 1.123 218 Y HN 0.008 nan 8.280 nan 0.000 0.524 219 L N 3.682 125.149 121.223 0.407 0.000 2.356 219 L HA 0.169 4.508 4.340 -0.002 0.000 0.282 219 L C 0.280 177.229 176.870 0.131 0.000 1.132 219 L CA -0.854 54.081 54.840 0.157 0.000 0.923 219 L CB -0.322 41.743 42.059 0.011 0.000 1.278 219 L HN 0.166 nan 8.230 nan 0.000 0.436 220 W N 3.071 124.521 121.300 0.250 0.000 2.150 220 W HA 0.377 5.036 4.660 -0.002 0.000 0.341 220 W C 0.129 176.685 176.519 0.062 0.000 1.276 220 W CA -0.070 57.332 57.345 0.095 0.000 1.238 220 W CB -0.025 29.417 29.460 -0.030 0.000 1.128 220 W HN 0.621 nan 8.180 nan 0.000 0.581 221 T N -3.197 111.580 114.554 0.372 0.000 2.992 221 T HA 0.121 4.469 4.350 -0.002 0.000 0.255 221 T C 0.121 174.974 174.700 0.256 0.000 0.938 221 T CA -0.081 62.166 62.100 0.245 0.000 0.895 221 T CB 0.577 69.505 68.868 0.101 0.000 1.221 221 T HN 0.391 nan 8.240 nan 0.000 0.512 222 E N 2.142 122.464 120.200 0.204 0.000 2.299 222 E HA 0.629 4.978 4.350 -0.002 0.000 0.260 222 E C -0.546 176.045 176.600 -0.014 0.000 0.944 222 E CA -0.391 56.054 56.400 0.075 0.000 0.815 222 E CB 2.125 31.831 29.700 0.011 0.000 1.252 222 E HN 0.501 nan 8.360 nan 0.000 0.418 223 T N -2.355 112.158 114.554 -0.068 0.000 2.883 223 T HA 0.384 4.733 4.350 -0.002 0.000 0.296 223 T C -0.249 174.372 174.700 -0.131 0.000 1.117 223 T CA -0.849 61.175 62.100 -0.127 0.000 1.006 223 T CB 1.185 70.010 68.868 -0.071 0.000 1.191 223 T HN 0.278 nan 8.240 nan 0.000 0.508 224 H N 2.047 121.103 119.070 -0.023 0.000 2.610 224 H HA 0.376 4.931 4.556 -0.002 0.000 0.336 224 H C -1.964 173.363 175.328 -0.002 0.000 1.087 224 H CA -0.916 55.138 56.048 0.010 0.000 1.405 224 H CB 1.241 31.026 29.762 0.038 0.000 1.460 224 H HN 0.513 nan 8.280 nan 0.000 0.538 225 P HA -0.040 nan 4.420 nan 0.000 0.277 225 P C 1.082 178.419 177.300 0.062 0.000 1.271 225 P CA -0.596 62.540 63.100 0.061 0.000 0.795 225 P CB 1.282 33.005 31.700 0.039 0.000 1.101 226 L N 0.839 122.069 121.223 0.011 0.000 2.079 226 L HA -0.153 4.186 4.340 -0.002 0.000 0.210 226 L C 1.332 178.216 176.870 0.023 0.000 1.081 226 L CA 2.102 56.938 54.840 -0.007 0.000 0.752 226 L CB -1.309 40.717 42.059 -0.056 0.000 0.896 226 L HN 0.195 nan 8.230 nan 0.000 0.433 227 D N -0.653 119.767 120.400 0.035 0.000 2.363 227 D HA -0.072 4.567 4.640 -0.002 0.000 0.226 227 D C 1.095 177.447 176.300 0.088 0.000 1.020 227 D CA 0.475 54.508 54.000 0.054 0.000 0.892 227 D CB -0.026 40.796 40.800 0.037 0.000 0.900 227 D HN 0.426 nan 8.370 nan 0.000 0.531 228 D N -0.325 120.138 120.400 0.106 0.000 2.355 228 D HA 0.075 4.714 4.640 -0.002 0.000 0.218 228 D C 0.532 176.914 176.300 0.136 0.000 1.004 228 D CA 0.200 54.275 54.000 0.126 0.000 0.880 228 D CB 0.589 41.509 40.800 0.199 0.000 0.911 228 D HN 0.217 nan 8.370 nan 0.000 0.528 229 L N 0.790 122.070 121.223 0.095 0.000 2.331 229 L HA 0.389 4.728 4.340 -0.002 0.000 0.275 229 L C -2.247 174.558 176.870 -0.110 0.000 1.022 229 L CA -2.291 52.535 54.840 -0.023 0.000 0.812 229 L CB 1.426 43.492 42.059 0.012 0.000 1.257 229 L HN -0.367 nan 8.230 nan 0.000 0.435 230 P HA 0.090 nan 4.420 nan 0.000 0.260 230 P C -1.150 176.115 177.300 -0.059 0.000 1.185 230 P CA 0.415 63.082 63.100 -0.721 0.000 0.763 230 P CB 0.335 31.388 31.700 -1.078 0.000 0.776 231 R N 1.612 122.222 120.500 0.183 0.000 2.740 231 R HA 0.741 5.080 4.340 -0.002 0.000 0.273 231 R C -1.485 175.094 176.300 0.465 0.000 0.998 231 R CA -1.099 55.179 56.100 0.296 0.000 0.900 231 R CB 2.056 32.461 30.300 0.175 0.000 1.223 231 R HN 0.103 nan 8.270 nan 0.000 0.466 232 V N 0.975 121.142 119.914 0.423 0.000 2.686 232 V HA 0.500 4.619 4.120 -0.002 0.000 0.306 232 V C -0.760 175.464 176.094 0.216 0.000 1.065 232 V CA -0.696 61.792 62.300 0.313 0.000 0.894 232 V CB 2.335 34.309 31.823 0.252 0.000 1.004 232 V HN 0.822 nan 8.190 nan 0.000 0.424 233 T N 3.678 118.316 114.554 0.139 0.000 2.879 233 T HA 0.405 4.754 4.350 -0.002 0.000 0.290 233 T C -0.032 174.669 174.700 0.002 0.000 0.993 233 T CA -0.562 61.574 62.100 0.060 0.000 0.975 233 T CB 0.977 69.894 68.868 0.081 0.000 0.981 233 T HN 0.723 nan 8.240 nan 0.000 0.439 234 N N 2.494 121.168 118.700 -0.043 0.000 2.678 234 N HA -0.112 4.626 4.740 -0.002 0.000 0.268 234 N C -2.326 173.165 175.510 -0.032 0.000 1.010 234 N CA 0.362 53.384 53.050 -0.047 0.000 0.784 234 N CB -0.829 37.620 38.487 -0.063 0.000 0.905 234 N HN 0.488 nan 8.380 nan 0.000 0.552 235 P HA 0.186 nan 4.420 nan 0.000 0.274 235 P C -1.564 175.701 177.300 -0.058 0.000 1.246 235 P CA -1.067 61.997 63.100 -0.059 0.000 0.795 235 P CB 0.505 32.137 31.700 -0.114 0.000 1.006 236 P HA -0.124 nan 4.420 nan 0.000 0.216 236 P C 1.621 178.903 177.300 -0.029 0.000 1.150 236 P CA 1.819 64.891 63.100 -0.046 0.000 0.843 236 P CB -0.502 31.161 31.700 -0.062 0.000 0.787 237 G N -1.246 107.530 108.800 -0.041 0.000 2.509 237 G HA2 0.078 4.037 3.960 -0.002 0.000 0.218 237 G HA3 0.078 4.037 3.960 -0.002 0.000 0.218 237 G C 1.188 176.171 174.900 0.139 0.000 1.124 237 G CA 0.640 45.770 45.100 0.049 0.000 0.776 237 G HN 0.476 nan 8.290 nan 0.000 0.547 238 G N -1.271 107.560 108.800 0.052 0.000 2.136 238 G HA2 -0.076 3.883 3.960 -0.002 0.000 0.242 238 G HA3 -0.076 3.883 3.960 -0.002 0.000 0.242 238 G C 0.137 175.156 174.900 0.197 0.000 0.989 238 G CA 0.536 45.691 45.100 0.092 0.000 0.682 238 G HN 1.548 nan 8.290 nan 0.000 0.522 239 F N -1.839 118.114 119.950 0.005 0.000 2.713 239 F HA 0.791 5.317 4.527 -0.002 0.000 0.311 239 F C -0.531 175.305 175.800 0.060 0.000 1.141 239 F CA -1.211 56.801 58.000 0.020 0.000 0.939 239 F CB 1.081 40.066 39.000 -0.026 0.000 1.325 239 F HN 0.744 nan 8.300 nan 0.000 0.453 240 V N 0.535 120.515 119.914 0.109 0.000 3.001 240 V HA 0.985 5.104 4.120 -0.002 0.000 0.314 240 V C -1.379 174.953 176.094 0.396 0.000 1.099 240 V CA -0.681 61.650 62.300 0.052 0.000 0.989 240 V CB 1.466 33.361 31.823 0.121 0.000 1.040 240 V HN 1.421 nan 8.190 nan 0.000 0.434 241 Q N 1.174 121.151 119.800 0.294 0.000 2.522 241 Q HA 0.601 4.939 4.340 -0.002 0.000 0.285 241 Q C -1.623 174.490 176.000 0.188 0.000 0.982 241 Q CA -0.574 55.492 55.803 0.437 0.000 0.805 241 Q CB 1.776 30.921 28.738 0.679 0.000 1.457 241 Q HN 0.967 nan 8.270 nan 0.000 0.394 242 N N 0.500 119.337 118.700 0.228 0.000 2.406 242 N HA 0.355 5.094 4.740 -0.002 0.000 0.283 242 N C -1.442 174.143 175.510 0.125 0.000 1.074 242 N CA -0.362 52.770 53.050 0.138 0.000 0.916 242 N CB 2.122 40.727 38.487 0.196 0.000 1.639 242 N HN 0.609 nan 8.380 nan 0.000 0.485 243 S N 2.387 118.143 115.700 0.093 0.000 2.558 243 S HA 0.242 4.711 4.470 -0.002 0.000 0.238 243 S C 0.253 174.878 174.600 0.041 0.000 1.183 243 S CA -0.454 57.775 58.200 0.048 0.000 1.185 243 S CB -0.564 62.697 63.200 0.102 0.000 1.003 243 S HN 0.824 nan 8.310 nan 0.000 0.478 244 N N 1.556 120.286 118.700 0.049 0.000 2.900 244 N HA -0.172 4.567 4.740 -0.002 0.000 0.240 244 N C -0.558 174.957 175.510 0.008 0.000 0.953 244 N CA 1.277 54.358 53.050 0.052 0.000 0.950 244 N CB -1.084 37.443 38.487 0.067 0.000 1.102 244 N HN 0.632 nan 8.380 nan 0.000 0.593 245 D N 0.669 121.036 120.400 -0.055 0.000 2.400 245 D HA 0.178 4.817 4.640 -0.002 0.000 0.238 245 D C -2.265 173.905 176.300 -0.218 0.000 1.157 245 D CA -1.065 52.805 54.000 -0.216 0.000 0.889 245 D CB -0.050 40.472 40.800 -0.464 0.000 1.199 245 D HN -0.007 nan 8.370 nan 0.000 0.436 246 P HA 0.034 nan 4.420 nan 0.000 0.267 246 P C -1.879 175.087 177.300 -0.558 0.000 1.195 246 P CA -0.698 62.207 63.100 -0.325 0.000 0.773 246 P CB -0.202 31.424 31.700 -0.124 0.000 0.837 247 P HA 0.007 nan 4.420 nan 0.000 0.259 247 P C -0.074 176.999 177.300 -0.378 0.000 1.480 247 P CA 0.491 63.251 63.100 -0.567 0.000 0.842 247 P CB -0.525 30.844 31.700 -0.551 0.000 1.513 248 W N 0.238 121.670 121.300 0.220 0.000 3.077 248 W HA 0.102 4.761 4.660 -0.002 0.000 0.266 248 W C 0.684 177.362 176.519 0.264 0.000 1.300 248 W CA 0.158 57.690 57.345 0.311 0.000 1.586 248 W CB -0.058 29.631 29.460 0.382 0.000 1.103 248 W HN 0.035 nan 8.180 nan 0.000 0.652 249 T N -2.957 111.835 114.554 0.396 0.000 3.630 249 T HA 0.195 4.544 4.350 -0.002 0.000 0.238 249 T C -1.682 173.080 174.700 0.103 0.000 1.195 249 T CA -1.517 60.769 62.100 0.309 0.000 1.433 249 T CB 0.726 69.860 68.868 0.443 0.000 0.940 249 T HN -0.204 nan 8.240 nan 0.000 0.641 250 P HA 0.132 nan 4.420 nan 0.000 0.233 250 P C 0.485 177.644 177.300 -0.236 0.000 1.167 250 P CA 0.688 63.620 63.100 -0.281 0.000 0.770 250 P CB 0.405 31.753 31.700 -0.586 0.000 0.837 251 T N -2.103 112.326 114.554 -0.209 0.000 2.711 251 T HA 0.455 4.803 4.350 -0.002 0.000 0.302 251 T C -2.699 171.997 174.700 -0.007 0.000 1.373 251 T CA -0.676 61.137 62.100 -0.478 0.000 1.000 251 T CB 1.170 69.709 68.868 -0.548 0.000 1.483 251 T HN -0.018 nan 8.240 nan 0.000 0.499 252 W N 4.201 125.334 121.300 -0.278 0.000 3.216 252 W HA 0.407 5.066 4.660 -0.002 0.000 0.335 252 W C -2.814 173.709 176.519 0.006 0.000 1.077 252 W CA -1.752 55.591 57.345 -0.003 0.000 1.252 252 W CB 1.753 31.331 29.460 0.196 0.000 1.312 252 W HN 0.600 nan 8.180 nan 0.000 0.446 253 P HA 0.092 nan 4.420 nan 0.000 0.272 253 P C 0.167 177.279 177.300 -0.312 0.000 1.230 253 P CA 0.103 62.832 63.100 -0.619 0.000 0.788 253 P CB 1.350 32.751 31.700 -0.498 0.000 0.949 254 V N -0.448 119.291 119.914 -0.291 0.000 3.096 254 V HA 0.209 4.327 4.120 -0.002 0.000 0.306 254 V C 1.207 177.185 176.094 -0.192 0.000 1.088 254 V CA 0.892 63.084 62.300 -0.179 0.000 1.129 254 V CB -0.319 31.457 31.823 -0.079 0.000 1.014 254 V HN 0.806 nan 8.190 nan 0.000 0.486 255 T N -1.220 113.191 114.554 -0.238 0.000 3.040 255 T HA 0.406 4.755 4.350 -0.002 0.000 0.266 255 T C 0.022 174.749 174.700 0.045 0.000 1.005 255 T CA 0.516 62.553 62.100 -0.104 0.000 0.906 255 T CB -0.397 68.442 68.868 -0.049 0.000 1.082 255 T HN 1.283 nan 8.240 nan 0.000 0.531 256 Y N -0.427 119.966 120.300 0.156 0.000 2.788 256 Y HA 0.753 5.302 4.550 -0.002 0.000 0.335 256 Y C -0.715 175.317 175.900 0.220 0.000 1.287 256 Y CA -1.376 56.843 58.100 0.198 0.000 1.068 256 Y CB 0.700 39.373 38.460 0.355 0.000 1.340 256 Y HN 0.149 nan 8.280 nan 0.000 0.449 257 T N -3.444 111.403 114.554 0.487 0.000 2.887 257 T HA 0.499 4.848 4.350 -0.002 0.000 0.292 257 T C -2.671 172.090 174.700 0.102 0.000 1.087 257 T CA -2.407 59.853 62.100 0.267 0.000 1.009 257 T CB 2.139 71.046 68.868 0.065 0.000 1.203 257 T HN 0.346 nan 8.240 nan 0.000 0.518 258 P HA -0.125 nan 4.420 nan 0.000 0.217 258 P C 1.298 178.426 177.300 -0.288 0.000 1.148 258 P CA 1.263 63.842 63.100 -0.869 0.000 0.828 258 P CB -0.081 30.975 31.700 -1.074 0.000 0.783 259 K N -0.676 119.622 120.400 -0.170 0.000 2.283 259 K HA -0.118 4.201 4.320 -0.002 0.000 0.202 259 K C 1.023 177.550 176.600 -0.122 0.000 1.048 259 K CA 1.402 57.623 56.287 -0.111 0.000 0.948 259 K CB -0.690 31.759 32.500 -0.085 0.000 0.742 259 K HN 0.040 nan 8.250 nan 0.000 0.458 260 D N 0.001 120.311 120.400 -0.150 0.000 2.371 260 D HA 0.032 4.671 4.640 -0.002 0.000 0.221 260 D C -0.380 175.465 176.300 -0.760 0.000 0.986 260 D CA 0.729 54.485 54.000 -0.406 0.000 0.899 260 D CB 0.014 40.532 40.800 -0.469 0.000 0.902 260 D HN 0.155 nan 8.370 nan 0.000 0.530 261 F N -0.161 119.727 119.950 -0.104 0.000 2.599 261 F HA 0.343 4.869 4.527 -0.002 0.000 0.311 261 F C -2.001 173.691 175.800 -0.180 0.000 1.076 261 F CA -2.581 55.338 58.000 -0.136 0.000 0.937 261 F CB 1.251 40.196 39.000 -0.090 0.000 1.282 261 F HN -0.361 nan 8.300 nan 0.000 0.460 262 P HA 0.045 nan 4.420 nan 0.000 0.266 262 P C 0.430 177.538 177.300 -0.321 0.000 1.195 262 P CA 0.030 62.932 63.100 -0.330 0.000 0.768 262 P CB 0.821 32.058 31.700 -0.772 0.000 0.838 263 S N 1.349 116.946 115.700 -0.171 0.000 2.555 263 S HA -0.157 4.312 4.470 -0.002 0.000 0.230 263 S C 1.318 175.981 174.600 0.105 0.000 0.978 263 S CA 0.369 58.573 58.200 0.007 0.000 0.934 263 S CB -1.163 62.084 63.200 0.080 0.000 0.766 263 S HN 0.567 nan 8.310 nan 0.000 0.533 264 Y N -0.158 120.251 120.300 0.181 0.000 2.482 264 Y HA 0.505 5.054 4.550 -0.002 0.000 0.270 264 Y C 1.515 177.481 175.900 0.111 0.000 1.152 264 Y CA -0.966 57.248 58.100 0.189 0.000 1.292 264 Y CB -0.584 37.980 38.460 0.174 0.000 1.070 264 Y HN 0.140 nan 8.280 nan 0.000 0.528 265 L N 0.598 121.847 121.223 0.044 0.000 2.109 265 L HA 0.203 4.542 4.340 -0.002 0.000 0.207 265 L C 0.947 177.854 176.870 0.063 0.000 1.086 265 L CA 0.925 55.790 54.840 0.042 0.000 0.760 265 L CB -0.253 41.686 42.059 -0.200 0.000 0.910 265 L HN 0.400 nan 8.230 nan 0.000 0.437 266 A N -1.350 121.504 122.820 0.056 0.000 2.604 266 A HA 0.633 4.951 4.320 -0.002 0.000 0.295 266 A C -2.661 175.070 177.584 0.245 0.000 1.067 266 A CA -0.998 51.075 52.037 0.061 0.000 0.683 266 A CB 0.898 19.656 19.000 -0.403 0.000 1.281 266 A HN -0.198 nan 8.150 nan 0.000 0.407 267 P HA 0.342 nan 4.420 nan 0.000 0.274 267 P C -0.712 176.850 177.300 0.437 0.000 1.246 267 P CA 0.029 63.291 63.100 0.270 0.000 0.795 267 P CB 0.474 32.285 31.700 0.184 0.000 1.006 268 Q N -0.310 119.700 119.800 0.350 0.000 2.354 268 Q HA 0.190 4.529 4.340 -0.002 0.000 0.372 268 Q C -0.154 176.001 176.000 0.258 0.000 0.923 268 Q CA -0.261 55.762 55.803 0.367 0.000 1.123 268 Q CB 0.138 28.991 28.738 0.192 0.000 1.298 268 Q HN 0.521 nan 8.270 nan 0.000 0.419 269 T N -2.941 111.723 114.554 0.182 0.000 2.927 269 T HA 0.514 4.863 4.350 -0.002 0.000 0.281 269 T C -2.507 172.028 174.700 -0.275 0.000 0.998 269 T CA -2.350 59.765 62.100 0.025 0.000 1.019 269 T CB 1.185 70.074 68.868 0.035 0.000 1.061 269 T HN -0.099 nan 8.240 nan 0.000 0.518 270 P HA 0.078 nan 4.420 nan 0.000 0.264 270 P C -0.205 176.612 177.300 -0.804 0.000 1.183 270 P CA 0.087 62.448 63.100 -1.231 0.000 0.763 270 P CB -0.010 31.357 31.700 -0.556 0.000 0.807 271 H N 0.109 118.464 119.070 -1.191 0.000 2.652 271 H HA 0.204 4.759 4.556 -0.002 0.000 0.349 271 H C 0.976 176.180 175.328 -0.207 0.000 1.099 271 H CA -0.744 55.070 56.048 -0.390 0.000 1.417 271 H CB 0.749 30.471 29.762 -0.067 0.000 1.457 271 H HN 0.462 nan 8.280 nan 0.000 0.568 272 S N 2.517 118.254 115.700 0.062 0.000 2.593 272 S HA 0.027 4.496 4.470 -0.002 0.000 0.269 272 S C 1.386 176.076 174.600 0.150 0.000 1.334 272 S CA -0.769 57.487 58.200 0.093 0.000 1.015 272 S CB 0.686 63.949 63.200 0.105 0.000 0.912 272 S HN 0.587 nan 8.310 nan 0.000 0.541 273 L N 0.763 122.091 121.223 0.174 0.000 2.131 273 L HA -0.065 4.274 4.340 -0.002 0.000 0.210 273 L C 2.986 179.981 176.870 0.209 0.000 1.092 273 L CA 1.569 56.526 54.840 0.195 0.000 0.759 273 L CB -0.579 41.613 42.059 0.221 0.000 0.903 273 L HN 0.830 nan 8.230 nan 0.000 0.435 274 R N 0.734 121.363 120.500 0.215 0.000 2.081 274 R HA -0.180 4.159 4.340 -0.002 0.000 0.235 274 R C 2.332 178.801 176.300 0.282 0.000 1.131 274 R CA 1.533 57.783 56.100 0.251 0.000 0.960 274 R CB -0.244 30.170 30.300 0.191 0.000 0.856 274 R HN 0.306 nan 8.270 nan 0.000 0.436 275 A N 0.682 123.632 122.820 0.216 0.000 1.969 275 A HA -0.177 4.142 4.320 -0.002 0.000 0.218 275 A C 2.039 179.761 177.584 0.231 0.000 1.169 275 A CA 1.349 53.513 52.037 0.211 0.000 0.635 275 A CB -0.371 18.702 19.000 0.121 0.000 0.810 275 A HN 0.535 nan 8.150 nan 0.000 0.445 276 Q N -0.877 119.053 119.800 0.218 0.000 2.079 276 Q HA -0.174 4.164 4.340 -0.002 0.000 0.200 276 Q C 2.244 178.312 176.000 0.115 0.000 0.974 276 Q CA 1.302 57.207 55.803 0.170 0.000 0.840 276 Q CB -0.192 28.648 28.738 0.170 0.000 0.898 276 Q HN 0.615 nan 8.270 nan 0.000 0.430 277 Q N 0.078 119.969 119.800 0.151 0.000 2.124 277 Q HA -0.136 4.203 4.340 -0.002 0.000 0.202 277 Q C 2.220 178.267 176.000 0.077 0.000 0.977 277 Q CA 1.216 57.083 55.803 0.106 0.000 0.850 277 Q CB -0.299 28.539 28.738 0.168 0.000 0.901 277 Q HN 0.250 nan 8.270 nan 0.000 0.429 278 S N 0.026 115.866 115.700 0.234 0.000 2.359 278 S HA -0.125 4.344 4.470 -0.002 0.000 0.224 278 S C 2.061 176.764 174.600 0.171 0.000 1.035 278 S CA 1.386 59.792 58.200 0.343 0.000 1.018 278 S CB -0.096 63.463 63.200 0.598 0.000 0.876 278 S HN 0.196 nan 8.310 nan 0.000 0.448 279 V N 2.003 121.995 119.914 0.129 0.000 2.343 279 V HA -0.115 4.004 4.120 -0.002 0.000 0.247 279 V C 2.702 178.698 176.094 -0.163 0.000 1.051 279 V CA 1.975 64.302 62.300 0.045 0.000 1.036 279 V CB -0.718 31.123 31.823 0.031 0.000 0.654 279 V HN 0.431 nan 8.190 nan 0.000 0.451 280 R N -0.403 120.002 120.500 -0.157 0.000 2.075 280 R HA -0.049 4.290 4.340 -0.002 0.000 0.232 280 R C 2.301 178.441 176.300 -0.265 0.000 1.126 280 R CA 1.287 57.269 56.100 -0.197 0.000 0.963 280 R CB -0.397 29.822 30.300 -0.135 0.000 0.858 280 R HN 0.407 nan 8.270 nan 0.000 0.435 281 L N -0.045 120.997 121.223 -0.301 0.000 2.093 281 L HA -0.175 4.163 4.340 -0.002 0.000 0.208 281 L C 2.508 179.004 176.870 -0.624 0.000 1.085 281 L CA 0.926 55.523 54.840 -0.406 0.000 0.755 281 L CB -0.255 41.563 42.059 -0.400 0.000 0.904 281 L HN 0.200 nan 8.230 nan 0.000 0.435 282 M N -0.465 118.627 119.600 -0.848 0.000 2.134 282 M HA -0.104 4.375 4.480 -0.002 0.000 0.262 282 M C 2.768 178.554 176.300 -0.857 0.000 1.076 282 M CA 2.024 56.648 55.300 -1.127 0.000 1.143 282 M CB -1.161 30.349 32.600 -1.818 0.000 1.346 282 M HN 0.369 nan 8.290 nan 0.000 0.421 283 S N 0.133 115.407 115.700 -0.709 0.000 2.382 283 S HA -0.139 4.329 4.470 -0.002 0.000 0.228 283 S C 1.599 176.121 174.600 -0.130 0.000 1.027 283 S CA 1.289 59.352 58.200 -0.227 0.000 0.991 283 S CB -0.656 62.591 63.200 0.077 0.000 0.823 283 S HN 0.560 nan 8.310 nan 0.000 0.469 284 E N 1.351 121.443 120.200 -0.180 0.000 2.435 284 E HA 0.151 4.500 4.350 -0.002 0.000 0.195 284 E C -0.146 176.374 176.600 -0.133 0.000 1.029 284 E CA 0.050 56.377 56.400 -0.121 0.000 0.865 284 E CB 0.025 29.651 29.700 -0.123 0.000 0.833 284 E HN 0.536 nan 8.360 nan 0.000 0.510 285 N N 1.268 119.855 118.700 -0.189 0.000 2.362 285 N HA 0.208 4.947 4.740 -0.002 0.000 0.298 285 N C -1.225 174.199 175.510 -0.144 0.000 1.048 285 N CA -0.275 52.675 53.050 -0.167 0.000 0.858 285 N CB 1.996 40.359 38.487 -0.206 0.000 1.218 285 N HN -0.037 nan 8.380 nan 0.000 0.488 286 D N -0.709 119.630 120.400 -0.101 0.000 2.523 286 D HA 0.219 4.858 4.640 -0.002 0.000 0.236 286 D C -0.841 175.417 176.300 -0.071 0.000 1.094 286 D CA -0.268 53.687 54.000 -0.075 0.000 0.942 286 D CB 1.265 42.034 40.800 -0.052 0.000 1.447 286 D HN 0.503 nan 8.370 nan 0.000 0.479 287 D N 0.609 120.972 120.400 -0.061 0.000 2.723 287 D HA -0.177 4.462 4.640 -0.002 0.000 0.236 287 D C -0.935 175.326 176.300 -0.065 0.000 1.138 287 D CA 0.439 54.405 54.000 -0.056 0.000 0.676 287 D CB -1.038 39.734 40.800 -0.047 0.000 1.069 287 D HN 0.342 nan 8.370 nan 0.000 0.430 288 L N 0.532 121.707 121.223 -0.080 0.000 2.453 288 L HA 0.262 4.601 4.340 -0.002 0.000 0.272 288 L C 1.479 178.299 176.870 -0.083 0.000 1.182 288 L CA 0.663 55.454 54.840 -0.082 0.000 0.858 288 L CB 0.702 42.700 42.059 -0.102 0.000 1.120 288 L HN 0.276 nan 8.230 nan 0.000 0.474 289 T N -0.343 114.174 114.554 -0.061 0.000 2.952 289 T HA 0.269 4.618 4.350 -0.002 0.000 0.286 289 T C 0.793 175.465 174.700 -0.046 0.000 1.024 289 T CA -0.923 61.141 62.100 -0.061 0.000 1.029 289 T CB 1.573 70.413 68.868 -0.046 0.000 1.094 289 T HN 0.415 nan 8.240 nan 0.000 0.515 290 L N 0.888 122.076 121.223 -0.058 0.000 2.042 290 L HA -0.025 4.314 4.340 -0.002 0.000 0.210 290 L C 2.385 179.262 176.870 0.012 0.000 1.076 290 L CA 1.995 56.823 54.840 -0.020 0.000 0.749 290 L CB -1.246 40.796 42.059 -0.029 0.000 0.893 290 L HN 0.840 nan 8.230 nan 0.000 0.432 291 E N -0.734 119.439 120.200 -0.044 0.000 2.085 291 E HA -0.251 4.098 4.350 -0.002 0.000 0.194 291 E C 2.327 178.898 176.600 -0.049 0.000 0.994 291 E CA 1.412 57.763 56.400 -0.082 0.000 0.801 291 E CB -0.243 29.409 29.700 -0.080 0.000 0.743 291 E HN 0.299 nan 8.360 nan 0.000 0.453 292 R N -0.170 120.319 120.500 -0.018 0.000 2.075 292 R HA -0.079 4.260 4.340 -0.002 0.000 0.232 292 R C 1.941 178.260 176.300 0.030 0.000 1.126 292 R CA 1.048 57.140 56.100 -0.014 0.000 0.963 292 R CB -0.827 29.457 30.300 -0.027 0.000 0.858 292 R HN 0.204 nan 8.270 nan 0.000 0.435 293 F N 0.556 120.444 119.950 -0.104 0.000 2.091 293 F HA -0.226 4.300 4.527 -0.002 0.000 0.299 293 F C 1.964 177.758 175.800 -0.010 0.000 1.103 293 F CA 2.066 60.030 58.000 -0.059 0.000 1.228 293 F CB -0.290 38.677 39.000 -0.054 0.000 0.984 293 F HN 0.030 nan 8.300 nan 0.000 0.477 294 M N -0.510 119.081 119.600 -0.016 0.000 2.117 294 M HA -0.178 4.300 4.480 -0.002 0.000 0.262 294 M C 2.419 178.624 176.300 -0.158 0.000 1.065 294 M CA 1.674 56.847 55.300 -0.213 0.000 1.114 294 M CB -0.753 31.660 32.600 -0.312 0.000 1.361 294 M HN 0.261 nan 8.290 nan 0.000 0.408 295 A N 0.558 123.320 122.820 -0.096 0.000 1.902 295 A HA -0.115 4.204 4.320 -0.002 0.000 0.217 295 A C 2.091 179.634 177.584 -0.068 0.000 1.181 295 A CA 1.361 53.355 52.037 -0.072 0.000 0.623 295 A CB -0.923 18.039 19.000 -0.064 0.000 0.818 295 A HN 0.455 nan 8.150 nan 0.000 0.443 296 L N -0.736 120.447 121.223 -0.066 0.000 2.131 296 L HA -0.204 4.135 4.340 -0.002 0.000 0.210 296 L C 2.829 179.715 176.870 0.027 0.000 1.092 296 L CA 1.360 56.169 54.840 -0.053 0.000 0.759 296 L CB -0.474 41.512 42.059 -0.121 0.000 0.903 296 L HN 0.477 nan 8.230 nan 0.000 0.435 297 Q N 0.825 120.639 119.800 0.023 0.000 2.226 297 Q HA -0.167 4.172 4.340 -0.002 0.000 0.204 297 Q C 2.016 178.086 176.000 0.117 0.000 0.975 297 Q CA 1.303 57.111 55.803 0.010 0.000 0.866 297 Q CB -0.065 28.564 28.738 -0.182 0.000 0.915 297 Q HN 0.566 nan 8.270 nan 0.000 0.440 298 L N 0.895 122.141 121.223 0.038 0.000 2.610 298 L HA 0.042 4.381 4.340 -0.002 0.000 0.232 298 L C 0.795 177.630 176.870 -0.059 0.000 1.149 298 L CA -0.287 54.572 54.840 0.031 0.000 0.872 298 L CB -0.142 41.914 42.059 -0.005 0.000 0.992 298 L HN -0.117 nan 8.230 nan 0.000 0.447 299 S N 0.669 116.376 115.700 0.011 0.000 2.546 299 S HA -0.046 4.423 4.470 -0.002 0.000 0.290 299 S C 0.685 175.369 174.600 0.139 0.000 1.290 299 S CA 0.015 58.206 58.200 -0.016 0.000 1.069 299 S CB -0.216 63.004 63.200 0.034 0.000 0.846 299 S HN 0.516 nan 8.310 nan 0.000 0.495 300 H N 0.601 119.781 119.070 0.183 0.000 2.790 300 H HA 0.442 4.997 4.556 -0.002 0.000 0.232 300 H C -0.066 175.397 175.328 0.225 0.000 1.313 300 H CA -0.933 55.273 56.048 0.263 0.000 1.011 300 H CB 0.175 30.111 29.762 0.291 0.000 2.105 300 H HN 0.305 nan 8.280 nan 0.000 0.580 301 R N 1.787 122.462 120.500 0.291 0.000 2.491 301 R HA 0.337 4.676 4.340 -0.002 0.000 0.283 301 R C 0.000 176.314 176.300 0.024 0.000 1.072 301 R CA 0.166 56.298 56.100 0.052 0.000 1.048 301 R CB 0.583 30.891 30.300 0.014 0.000 0.983 301 R HN 0.529 nan 8.270 nan 0.000 0.450 302 A N 5.069 127.670 122.820 -0.365 0.000 3.037 302 A HA 0.173 4.492 4.320 -0.002 0.000 0.272 302 A C 0.979 178.454 177.584 -0.182 0.000 1.723 302 A CA -0.524 51.314 52.037 -0.332 0.000 1.413 302 A CB -0.328 18.116 19.000 -0.928 0.000 1.112 302 A HN 0.709 nan 8.150 nan 0.000 0.606 303 V N 1.853 121.789 119.914 0.037 0.000 2.392 303 V HA -0.315 3.804 4.120 -0.002 0.000 0.249 303 V C 2.529 178.706 176.094 0.139 0.000 1.059 303 V CA 2.546 64.885 62.300 0.065 0.000 1.051 303 V CB -0.845 31.056 31.823 0.130 0.000 0.658 303 V HN 0.969 nan 8.190 nan 0.000 0.455 304 M N 1.103 120.864 119.600 0.269 0.000 2.202 304 M HA -0.100 4.379 4.480 -0.002 0.000 0.262 304 M C 1.978 178.536 176.300 0.430 0.000 1.063 304 M CA 2.210 57.786 55.300 0.460 0.000 1.097 304 M CB -0.522 32.455 32.600 0.629 0.000 1.382 304 M HN 0.227 nan 8.290 nan 0.000 0.413 305 A N -0.120 122.722 122.820 0.037 0.000 1.930 305 A HA -0.154 4.165 4.320 -0.002 0.000 0.217 305 A C 1.871 179.376 177.584 -0.131 0.000 1.175 305 A CA 1.935 53.779 52.037 -0.322 0.000 0.627 305 A CB -0.993 17.395 19.000 -1.019 0.000 0.815 305 A HN 0.595 nan 8.150 nan 0.000 0.443 306 D N -0.425 119.914 120.400 -0.101 0.000 2.178 306 D HA -0.114 4.525 4.640 -0.002 0.000 0.201 306 D C 1.918 178.298 176.300 0.134 0.000 0.980 306 D CA 0.832 54.823 54.000 -0.016 0.000 0.842 306 D CB -0.182 40.609 40.800 -0.015 0.000 0.948 306 D HN 0.287 nan 8.370 nan 0.000 0.472 307 R N -0.082 120.539 120.500 0.201 0.000 2.246 307 R HA 0.042 4.381 4.340 -0.002 0.000 0.199 307 R C 1.942 178.278 176.300 0.061 0.000 0.984 307 R CA 0.871 57.128 56.100 0.262 0.000 1.015 307 R CB -0.204 30.323 30.300 0.379 0.000 0.930 307 R HN 0.342 nan 8.270 nan 0.000 0.475 308 T N -3.043 111.570 114.554 0.098 0.000 2.987 308 T HA 0.217 4.566 4.350 -0.002 0.000 0.248 308 T C 2.010 176.642 174.700 -0.114 0.000 0.997 308 T CA -0.300 61.788 62.100 -0.020 0.000 1.013 308 T CB -0.181 68.710 68.868 0.038 0.000 1.077 308 T HN -0.051 nan 8.240 nan 0.000 0.483 309 L N 1.310 122.485 121.223 -0.080 0.000 2.131 309 L HA 0.047 4.386 4.340 -0.002 0.000 0.210 309 L C -0.605 176.212 176.870 -0.089 0.000 1.092 309 L CA 1.339 56.105 54.840 -0.123 0.000 0.759 309 L CB -1.629 40.366 42.059 -0.107 0.000 0.903 309 L HN 0.242 nan 8.230 nan 0.000 0.435 310 P HA -0.156 nan 4.420 nan 0.000 0.216 310 P C 0.832 178.125 177.300 -0.011 0.000 1.150 310 P CA 1.410 64.512 63.100 0.004 0.000 0.843 310 P CB 0.047 31.803 31.700 0.093 0.000 0.787 311 D N -1.657 118.717 120.400 -0.042 0.000 2.240 311 D HA -0.028 4.611 4.640 -0.002 0.000 0.206 311 D C 1.805 178.062 176.300 -0.071 0.000 0.963 311 D CA 0.472 54.449 54.000 -0.038 0.000 0.863 311 D CB -0.736 40.041 40.800 -0.039 0.000 0.973 311 D HN 0.031 nan 8.370 nan 0.000 0.501 312 L N 0.918 122.055 121.223 -0.143 0.000 2.027 312 L HA -0.092 4.247 4.340 -0.002 0.000 0.206 312 L C 1.890 178.662 176.870 -0.165 0.000 1.074 312 L CA 1.226 55.939 54.840 -0.213 0.000 0.745 312 L CB -0.373 41.406 42.059 -0.467 0.000 0.898 312 L HN -0.100 nan 8.230 nan 0.000 0.433 313 I N 0.791 121.278 120.570 -0.138 0.000 2.113 313 I HA -0.161 4.008 4.170 -0.002 0.000 0.238 313 I C -0.105 175.974 176.117 -0.063 0.000 1.070 313 I CA 1.617 62.857 61.300 -0.100 0.000 1.332 313 I CB -2.940 35.015 38.000 -0.075 0.000 1.044 313 I HN 0.240 nan 8.210 nan 0.000 0.402 314 P HA -0.148 nan 4.420 nan 0.000 0.215 314 P C 1.638 178.924 177.300 -0.022 0.000 1.153 314 P CA 2.216 65.301 63.100 -0.025 0.000 0.853 314 P CB -0.083 31.609 31.700 -0.013 0.000 0.788 315 A N 0.468 123.272 122.820 -0.026 0.000 1.908 315 A HA -0.122 4.197 4.320 -0.002 0.000 0.218 315 A C 2.462 180.034 177.584 -0.020 0.000 1.181 315 A CA 2.450 54.477 52.037 -0.016 0.000 0.627 315 A CB -1.550 17.443 19.000 -0.011 0.000 0.818 315 A HN 0.247 nan 8.150 nan 0.000 0.445 316 A N -0.699 122.095 122.820 -0.043 0.000 1.968 316 A HA 0.129 4.448 4.320 -0.002 0.000 0.217 316 A C 2.041 179.609 177.584 -0.027 0.000 1.169 316 A CA 1.172 53.185 52.037 -0.041 0.000 0.638 316 A CB -0.464 18.491 19.000 -0.074 0.000 0.812 316 A HN 0.455 nan 8.150 nan 0.000 0.446 317 L N -0.575 120.632 121.223 -0.027 0.000 2.376 317 L HA -0.019 4.319 4.340 -0.002 0.000 0.219 317 L C 2.133 178.997 176.870 -0.010 0.000 1.133 317 L CA 0.481 55.310 54.840 -0.019 0.000 0.816 317 L CB -0.282 41.765 42.059 -0.019 0.000 0.933 317 L HN 0.363 nan 8.230 nan 0.000 0.449 318 I N -0.366 120.200 120.570 -0.007 0.000 2.493 318 I HA -0.189 3.980 4.170 -0.002 0.000 0.254 318 I C 0.728 176.846 176.117 0.001 0.000 1.160 318 I CA 0.508 61.807 61.300 -0.001 0.000 1.445 318 I CB -0.039 37.963 38.000 0.002 0.000 1.086 318 I HN 0.239 nan 8.210 nan 0.000 0.433 319 D N 0.938 121.338 120.400 0.000 0.000 2.424 319 D HA 0.009 4.648 4.640 -0.002 0.000 0.244 319 D C -1.367 174.935 176.300 0.003 0.000 1.134 319 D CA -1.283 52.719 54.000 0.004 0.000 0.881 319 D CB 1.093 41.896 40.800 0.005 0.000 1.191 319 D HN -0.011 nan 8.370 nan 0.000 0.445 320 P HA -0.055 nan 4.420 nan 0.000 0.225 320 P C -0.065 177.237 177.300 0.004 0.000 1.156 320 P CA 0.292 63.394 63.100 0.004 0.000 0.787 320 P CB 0.129 31.833 31.700 0.006 0.000 0.802 321 D N 1.269 121.672 120.400 0.005 0.000 2.382 321 D HA 0.022 4.661 4.640 -0.002 0.000 0.259 321 D C -1.489 174.813 176.300 0.003 0.000 1.224 321 D CA -1.898 52.106 54.000 0.006 0.000 0.894 321 D CB 0.942 41.747 40.800 0.009 0.000 1.127 321 D HN 0.018 nan 8.370 nan 0.000 0.487 322 P HA -0.077 nan 4.420 nan 0.000 0.223 322 P C 1.044 178.343 177.300 -0.001 0.000 1.151 322 P CA 0.671 63.771 63.100 -0.000 0.000 0.787 322 P CB 0.353 32.053 31.700 -0.000 0.000 0.788 323 E N -0.340 119.861 120.200 0.002 0.000 2.107 323 E HA -0.094 4.255 4.350 -0.002 0.000 0.191 323 E C 1.777 178.377 176.600 0.001 0.000 0.982 323 E CA 0.756 57.158 56.400 0.002 0.000 0.809 323 E CB -0.171 29.533 29.700 0.006 0.000 0.756 323 E HN -0.034 nan 8.360 nan 0.000 0.459 324 V N 1.211 121.126 119.914 0.002 0.000 2.343 324 V HA -0.276 3.842 4.120 -0.002 0.000 0.247 324 V C 2.259 178.345 176.094 -0.013 0.000 1.051 324 V CA 1.802 64.100 62.300 -0.002 0.000 1.036 324 V CB -0.480 31.344 31.823 0.003 0.000 0.654 324 V HN 0.294 nan 8.190 nan 0.000 0.451 325 Q N -0.057 119.736 119.800 -0.011 0.000 2.084 325 Q HA -0.159 4.180 4.340 -0.002 0.000 0.202 325 Q C 2.434 178.424 176.000 -0.016 0.000 0.978 325 Q CA 1.782 57.576 55.803 -0.014 0.000 0.844 325 Q CB -0.423 28.309 28.738 -0.010 0.000 0.898 325 Q HN 0.668 nan 8.270 nan 0.000 0.426 326 A N 1.084 123.896 122.820 -0.013 0.000 1.930 326 A HA -0.091 4.227 4.320 -0.002 0.000 0.217 326 A C 2.295 179.868 177.584 -0.018 0.000 1.175 326 A CA 1.465 53.494 52.037 -0.014 0.000 0.627 326 A CB -0.721 18.273 19.000 -0.010 0.000 0.815 326 A HN 0.392 nan 8.150 nan 0.000 0.443 327 A N 0.071 122.880 122.820 -0.019 0.000 1.877 327 A HA 0.124 4.443 4.320 -0.002 0.000 0.216 327 A C 2.527 180.089 177.584 -0.037 0.000 1.186 327 A CA 2.182 54.204 52.037 -0.024 0.000 0.620 327 A CB -1.111 17.878 19.000 -0.017 0.000 0.822 327 A HN 1.089 nan 8.150 nan 0.000 0.443 328 A N -0.207 122.587 122.820 -0.042 0.000 1.908 328 A HA -0.211 4.108 4.320 -0.002 0.000 0.218 328 A C 2.262 179.825 177.584 -0.035 0.000 1.181 328 A CA 1.695 53.700 52.037 -0.053 0.000 0.627 328 A CB -0.481 18.487 19.000 -0.052 0.000 0.818 328 A HN 0.570 nan 8.150 nan 0.000 0.445 329 R N -1.356 119.129 120.500 -0.025 0.000 2.115 329 R HA -0.005 4.334 4.340 -0.002 0.000 0.226 329 R C 2.085 178.379 176.300 -0.011 0.000 1.100 329 R CA 1.109 57.199 56.100 -0.017 0.000 0.980 329 R CB -0.457 29.834 30.300 -0.015 0.000 0.875 329 R HN 0.504 nan 8.270 nan 0.000 0.445 330 L N 1.144 122.356 121.223 -0.018 0.000 2.027 330 L HA -0.111 4.228 4.340 -0.002 0.000 0.206 330 L C 1.907 178.772 176.870 -0.008 0.000 1.074 330 L CA 1.635 56.460 54.840 -0.025 0.000 0.745 330 L CB -0.309 41.722 42.059 -0.047 0.000 0.898 330 L HN 0.088 nan 8.230 nan 0.000 0.433 331 L N -0.551 120.670 121.223 -0.002 0.000 2.093 331 L HA -0.138 4.201 4.340 -0.002 0.000 0.208 331 L C 2.634 179.564 176.870 0.100 0.000 1.085 331 L CA 1.078 55.956 54.840 0.063 0.000 0.755 331 L CB -0.874 41.206 42.059 0.034 0.000 0.904 331 L HN 0.378 nan 8.230 nan 0.000 0.435 332 A N -0.151 122.688 122.820 0.032 0.000 1.969 332 A HA -0.035 4.284 4.320 -0.002 0.000 0.218 332 A C 2.401 180.000 177.584 0.024 0.000 1.169 332 A CA 1.436 53.480 52.037 0.011 0.000 0.635 332 A CB -0.489 18.505 19.000 -0.012 0.000 0.810 332 A HN 0.373 nan 8.150 nan 0.000 0.445 333 A N -1.975 120.871 122.820 0.044 0.000 2.169 333 A HA 0.155 4.474 4.320 -0.002 0.000 0.212 333 A C 0.715 178.357 177.584 0.097 0.000 1.153 333 A CA -0.058 52.004 52.037 0.043 0.000 0.756 333 A CB -0.408 18.608 19.000 0.028 0.000 0.813 333 A HN 0.651 nan 8.150 nan 0.000 0.471 334 W N 2.634 123.868 121.300 -0.110 0.000 2.210 334 W HA 0.296 4.954 4.660 -0.002 0.000 0.330 334 W C 0.332 176.754 176.519 -0.160 0.000 1.334 334 W CA -0.425 56.835 57.345 -0.142 0.000 1.227 334 W CB 0.631 29.986 29.460 -0.176 0.000 1.178 334 W HN 0.407 nan 8.180 nan 0.000 0.560 335 D N 3.757 124.012 120.400 -0.242 0.000 2.363 335 D HA -0.121 4.518 4.640 -0.002 0.000 0.226 335 D C 0.636 176.449 176.300 -0.812 0.000 1.020 335 D CA 0.275 54.033 54.000 -0.403 0.000 0.892 335 D CB -0.236 40.439 40.800 -0.208 0.000 0.900 335 D HN 0.653 nan 8.370 nan 0.000 0.531 336 R N -0.774 118.645 120.500 -1.801 0.000 3.776 336 R HA -0.116 4.223 4.340 -0.002 0.000 0.312 336 R C -0.806 174.656 176.300 -1.396 0.000 1.181 336 R CA 0.808 55.573 56.100 -2.225 0.000 0.836 336 R CB -1.839 27.708 30.300 -1.256 0.000 1.324 336 R HN 0.317 nan 8.270 nan 0.000 0.501 337 E N 0.269 119.886 120.200 -0.971 0.000 2.195 337 E HA 0.199 4.548 4.350 -0.002 0.000 0.271 337 E C -0.196 176.138 176.600 -0.444 0.000 0.923 337 E CA -0.739 55.352 56.400 -0.516 0.000 0.790 337 E CB 0.580 30.142 29.700 -0.231 0.000 1.155 337 E HN 0.079 nan 8.360 nan 0.000 0.402 338 F N 1.930 121.656 119.950 -0.373 0.000 2.659 338 F HA 0.026 4.552 4.527 -0.002 0.000 0.360 338 F C 1.230 176.569 175.800 -0.768 0.000 1.218 338 F CA -0.298 57.333 58.000 -0.614 0.000 1.317 338 F CB -0.173 38.548 39.000 -0.465 0.000 1.697 338 F HN 0.137 nan 8.300 nan 0.000 0.637 339 T N -3.400 110.922 114.554 -0.387 0.000 2.902 339 T HA 0.171 4.519 4.350 -0.002 0.000 0.280 339 T C 1.391 176.096 174.700 0.008 0.000 0.992 339 T CA -0.795 61.196 62.100 -0.181 0.000 1.015 339 T CB 1.689 70.515 68.868 -0.070 0.000 1.044 339 T HN 0.226 nan 8.240 nan 0.000 0.520 340 S N 1.187 116.951 115.700 0.106 0.000 2.387 340 S HA -0.140 4.329 4.470 -0.002 0.000 0.230 340 S C 1.561 176.216 174.600 0.092 0.000 1.035 340 S CA 1.603 59.888 58.200 0.141 0.000 1.014 340 S CB -0.530 62.717 63.200 0.078 0.000 0.836 340 S HN 0.986 nan 8.310 nan 0.000 0.466 341 D N 0.677 121.107 120.400 0.051 0.000 2.339 341 D HA 0.114 4.753 4.640 -0.002 0.000 0.217 341 D C 0.446 176.753 176.300 0.012 0.000 1.050 341 D CA -0.021 53.994 54.000 0.025 0.000 0.856 341 D CB -0.362 40.449 40.800 0.019 0.000 0.922 341 D HN 0.154 nan 8.370 nan 0.000 0.518 342 S N 0.254 115.961 115.700 0.012 0.000 2.498 342 S HA 0.115 4.583 4.470 -0.002 0.000 0.281 342 S C 1.075 175.600 174.600 -0.126 0.000 1.265 342 S CA -0.531 57.636 58.200 -0.055 0.000 1.071 342 S CB 0.543 63.690 63.200 -0.088 0.000 0.894 342 S HN 0.162 nan 8.310 nan 0.000 0.491 343 R N 3.470 123.869 120.500 -0.170 0.000 2.246 343 R HA 0.127 4.465 4.340 -0.002 0.000 0.199 343 R C 1.753 177.893 176.300 -0.267 0.000 0.984 343 R CA 0.875 56.876 56.100 -0.166 0.000 1.015 343 R CB -0.048 30.189 30.300 -0.105 0.000 0.930 343 R HN 0.682 nan 8.270 nan 0.000 0.475 344 A N 0.529 123.041 122.820 -0.514 0.000 2.197 344 A HA 0.295 4.613 4.320 -0.002 0.000 0.210 344 A C 2.076 179.153 177.584 -0.845 0.000 1.180 344 A CA 0.572 52.214 52.037 -0.660 0.000 0.846 344 A CB 0.139 18.683 19.000 -0.760 0.000 0.884 344 A HN 0.239 nan 8.150 nan 0.000 0.487 345 A N 0.468 122.748 122.820 -0.899 0.000 1.902 345 A HA -0.049 4.270 4.320 -0.002 0.000 0.217 345 A C 2.056 179.662 177.584 0.036 0.000 1.181 345 A CA 1.474 53.173 52.037 -0.563 0.000 0.623 345 A CB -0.576 18.288 19.000 -0.226 0.000 0.818 345 A HN 0.458 nan 8.150 nan 0.000 0.443 346 L N -1.109 120.130 121.223 0.027 0.000 2.017 346 L HA -0.168 4.171 4.340 -0.002 0.000 0.208 346 L C 2.569 179.500 176.870 0.103 0.000 1.073 346 L CA 1.277 56.129 54.840 0.020 0.000 0.745 346 L CB -0.624 41.229 42.059 -0.344 0.000 0.894 346 L HN 0.479 nan 8.230 nan 0.000 0.432 347 L N -0.408 120.835 121.223 0.034 0.000 2.042 347 L HA -0.263 4.076 4.340 -0.002 0.000 0.210 347 L C 2.379 179.346 176.870 0.163 0.000 1.076 347 L CA 1.765 56.657 54.840 0.087 0.000 0.749 347 L CB -0.702 41.367 42.059 0.017 0.000 0.893 347 L HN 0.125 nan 8.230 nan 0.000 0.432 348 F N 0.629 120.585 119.950 0.010 0.000 2.134 348 F HA -0.192 4.334 4.527 -0.002 0.000 0.299 348 F C 2.301 178.307 175.800 0.344 0.000 1.097 348 F CA 1.985 60.083 58.000 0.164 0.000 1.264 348 F CB -0.291 38.772 39.000 0.105 0.000 1.001 348 F HN 0.248 nan 8.300 nan 0.000 0.479 349 E N -0.155 120.215 120.200 0.284 0.000 2.085 349 E HA -0.224 4.124 4.350 -0.002 0.000 0.194 349 E C 2.073 178.811 176.600 0.231 0.000 0.994 349 E CA 1.421 57.973 56.400 0.253 0.000 0.801 349 E CB -0.224 29.732 29.700 0.426 0.000 0.743 349 E HN 0.433 nan 8.360 nan 0.000 0.453 350 E N -0.039 120.296 120.200 0.224 0.000 2.150 350 E HA -0.179 4.170 4.350 -0.002 0.000 0.193 350 E C 1.617 178.295 176.600 0.129 0.000 0.985 350 E CA 0.643 57.154 56.400 0.184 0.000 0.814 350 E CB -0.290 29.523 29.700 0.188 0.000 0.752 350 E HN 0.425 nan 8.360 nan 0.000 0.466 351 W N 1.723 122.991 121.300 -0.053 0.000 2.381 351 W HA -0.085 4.574 4.660 -0.002 0.000 0.301 351 W C 2.328 178.800 176.519 -0.078 0.000 1.205 351 W CA 2.171 59.461 57.345 -0.092 0.000 1.285 351 W CB -0.331 29.032 29.460 -0.161 0.000 1.133 351 W HN 0.025 nan 8.180 nan 0.000 0.521 352 A N 0.667 123.333 122.820 -0.257 0.000 1.969 352 A HA -0.140 4.179 4.320 -0.002 0.000 0.218 352 A C 1.994 179.597 177.584 0.032 0.000 1.169 352 A CA 1.536 53.424 52.037 -0.249 0.000 0.635 352 A CB -0.710 18.207 19.000 -0.138 0.000 0.810 352 A HN 0.391 nan 8.150 nan 0.000 0.445 353 R N -0.617 119.951 120.500 0.112 0.000 2.127 353 R HA -0.081 4.258 4.340 -0.002 0.000 0.238 353 R C 1.847 178.020 176.300 -0.210 0.000 1.134 353 R CA 1.511 57.534 56.100 -0.129 0.000 0.975 353 R CB -0.391 29.843 30.300 -0.110 0.000 0.865 353 R HN 0.536 nan 8.270 nan 0.000 0.447 354 L N -1.327 119.757 121.223 -0.230 0.000 2.102 354 L HA -0.050 4.288 4.340 -0.002 0.000 0.202 354 L C 2.184 178.869 176.870 -0.309 0.000 1.076 354 L CA 0.643 55.337 54.840 -0.243 0.000 0.761 354 L CB -0.387 41.547 42.059 -0.207 0.000 0.921 354 L HN 0.099 nan 8.230 nan 0.000 0.444 355 F N 1.080 120.618 119.950 -0.686 0.000 2.186 355 F HA -0.056 4.469 4.527 -0.002 0.000 0.299 355 F C 1.827 177.352 175.800 -0.458 0.000 1.090 355 F CA 1.234 58.795 58.000 -0.732 0.000 1.307 355 F CB 0.091 38.214 39.000 -1.462 0.000 1.019 355 F HN -0.040 nan 8.300 nan 0.000 0.489 356 A N -0.149 122.463 122.820 -0.346 0.000 2.609 356 A HA 0.596 4.915 4.320 -0.002 0.000 0.286 356 A C 0.787 178.271 177.584 -0.167 0.000 1.138 356 A CA 0.306 52.199 52.037 -0.240 0.000 0.960 356 A CB -0.861 18.173 19.000 0.056 0.000 1.208 356 A HN 0.901 nan 8.150 nan 0.000 0.541 357 G N -0.663 107.999 108.800 -0.230 0.000 2.781 357 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.683 357 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.683 357 G C 0.281 174.943 174.900 -0.398 0.000 1.390 357 G CA -0.062 44.889 45.100 -0.249 0.000 0.850 357 G HN 0.134 nan 8.290 nan 0.000 0.557 358 Q N 0.430 119.992 119.800 -0.396 0.000 2.224 358 Q HA -0.098 4.240 4.340 -0.002 0.000 0.203 358 Q C 2.293 177.819 176.000 -0.789 0.000 0.970 358 Q CA 1.863 57.340 55.803 -0.543 0.000 0.865 358 Q CB -0.204 28.338 28.738 -0.326 0.000 0.922 358 Q HN 0.829 nan 8.270 nan 0.000 0.445 359 N N -0.549 117.829 118.700 -0.537 0.000 2.336 359 N HA -0.091 4.647 4.740 -0.002 0.000 0.189 359 N C 0.012 175.380 175.510 -0.236 0.000 1.113 359 N CA -0.001 52.812 53.050 -0.395 0.000 0.858 359 N CB -0.365 38.024 38.487 -0.164 0.000 0.970 359 N HN 0.177 nan 8.380 nan 0.000 0.471 360 F N -1.583 118.320 119.950 -0.078 0.000 2.953 360 F HA -0.288 4.237 4.527 -0.002 0.000 0.292 360 F C 1.208 177.038 175.800 0.049 0.000 0.747 360 F CA 0.390 58.381 58.000 -0.015 0.000 1.222 360 F CB -1.755 37.258 39.000 0.023 0.000 1.457 360 F HN 0.310 nan 8.300 nan 0.000 0.383 361 A N 0.170 123.066 122.820 0.128 0.000 2.303 361 A HA 0.546 4.865 4.320 -0.002 0.000 0.217 361 A C 1.573 179.212 177.584 0.092 0.000 1.205 361 A CA 0.513 52.621 52.037 0.118 0.000 0.875 361 A CB -0.347 18.691 19.000 0.063 0.000 0.910 361 A HN 0.504 nan 8.150 nan 0.000 0.501 362 G N -0.705 108.116 108.800 0.035 0.000 2.432 362 G HA2 0.352 4.311 3.960 -0.002 0.000 0.239 362 G HA3 0.352 4.311 3.960 -0.002 0.000 0.239 362 G C 0.366 175.301 174.900 0.060 0.000 1.291 362 G CA -0.139 44.951 45.100 -0.017 0.000 0.863 362 G HN 0.234 nan 8.290 nan 0.000 0.560 363 Q N 1.243 121.089 119.800 0.076 0.000 2.245 363 Q HA 0.143 4.481 4.340 -0.002 0.000 0.236 363 Q C 2.358 178.451 176.000 0.155 0.000 0.842 363 Q CA 0.529 56.480 55.803 0.246 0.000 0.945 363 Q CB 0.798 29.653 28.738 0.195 0.000 1.122 363 Q HN 0.651 nan 8.270 nan 0.000 0.506 364 A N 0.694 123.489 122.820 -0.042 0.000 2.066 364 A HA 0.039 4.358 4.320 -0.002 0.000 0.218 364 A C 2.065 179.558 177.584 -0.153 0.000 1.157 364 A CA 1.458 53.458 52.037 -0.062 0.000 0.670 364 A CB -0.583 18.367 19.000 -0.084 0.000 0.804 364 A HN 0.356 nan 8.150 nan 0.000 0.453 365 G N -1.249 107.270 108.800 -0.468 0.000 2.534 365 G HA2 0.167 4.126 3.960 -0.002 0.000 0.217 365 G HA3 0.167 4.126 3.960 -0.002 0.000 0.217 365 G C 0.397 175.162 174.900 -0.224 0.000 1.128 365 G CA -0.100 44.589 45.100 -0.686 0.000 0.784 365 G HN 0.369 nan 8.290 nan 0.000 0.542 366 F N -0.351 119.640 119.950 0.068 0.000 2.382 366 F HA 0.503 5.029 4.527 -0.002 0.000 0.331 366 F C 1.501 177.392 175.800 0.153 0.000 1.121 366 F CA -0.332 57.799 58.000 0.219 0.000 1.183 366 F CB 1.658 40.781 39.000 0.204 0.000 1.207 366 F HN 0.030 nan 8.300 nan 0.000 0.555 367 A N 1.111 124.144 122.820 0.355 0.000 1.874 367 A HA 0.045 4.364 4.320 -0.002 0.000 0.214 367 A C 0.887 178.611 177.584 0.232 0.000 1.189 367 A CA 0.957 53.136 52.037 0.237 0.000 0.615 367 A CB -0.457 18.658 19.000 0.192 0.000 0.830 367 A HN 0.625 nan 8.150 nan 0.000 0.443 368 T N 2.553 117.270 114.554 0.272 0.000 2.770 368 T HA 0.500 4.849 4.350 -0.002 0.000 0.283 368 T C -2.765 172.047 174.700 0.187 0.000 0.988 368 T CA -1.218 61.011 62.100 0.214 0.000 0.957 368 T CB 1.869 70.880 68.868 0.239 0.000 0.930 368 T HN 0.194 nan 8.240 nan 0.000 0.443 369 P HA 0.135 nan 4.420 nan 0.000 0.274 369 P C -0.437 176.944 177.300 0.135 0.000 1.246 369 P CA -0.758 62.437 63.100 0.158 0.000 0.795 369 P CB 0.840 32.629 31.700 0.148 0.000 1.006 370 W N 1.697 122.989 121.300 -0.013 0.000 2.193 370 W HA 0.280 4.939 4.660 -0.002 0.000 0.338 370 W C 0.002 176.514 176.519 -0.011 0.000 1.310 370 W CA 1.243 58.569 57.345 -0.032 0.000 1.243 370 W CB 0.423 29.863 29.460 -0.034 0.000 1.165 370 W HN 0.297 nan 8.180 nan 0.000 0.566 371 S N 5.427 120.581 115.700 -0.910 0.000 2.548 371 S HA 0.227 4.696 4.470 -0.002 0.000 0.276 371 S C -0.098 173.631 174.600 -1.452 0.000 1.129 371 S CA -0.860 56.819 58.200 -0.869 0.000 0.931 371 S CB 1.181 64.141 63.200 -0.401 0.000 1.068 371 S HN 0.622 nan 8.310 nan 0.000 0.480 372 L N 3.401 123.954 121.223 -1.117 0.000 2.275 372 L HA 0.177 4.516 4.340 -0.002 0.000 0.215 372 L C 1.380 178.062 176.870 -0.313 0.000 1.119 372 L CA 1.918 56.337 54.840 -0.701 0.000 0.790 372 L CB -0.544 41.383 42.059 -0.221 0.000 0.919 372 L HN 0.732 nan 8.230 nan 0.000 0.443 373 D N 0.071 120.306 120.400 -0.275 0.000 2.269 373 D HA -0.086 4.552 4.640 -0.002 0.000 0.208 373 D C 0.674 176.916 176.300 -0.097 0.000 0.963 373 D CA 1.020 54.947 54.000 -0.121 0.000 0.864 373 D CB 0.114 40.851 40.800 -0.106 0.000 0.936 373 D HN 0.359 nan 8.370 nan 0.000 0.505 374 K N 0.643 120.901 120.400 -0.236 0.000 2.954 374 K HA 0.157 4.476 4.320 -0.002 0.000 0.171 374 K C -2.043 174.377 176.600 -0.301 0.000 1.079 374 K CA -1.028 55.146 56.287 -0.188 0.000 0.908 374 K CB 2.295 34.696 32.500 -0.165 0.000 1.142 374 K HN -0.076 nan 8.250 nan 0.000 0.613 375 P HA -0.100 nan 4.420 nan 0.000 0.229 375 P C 0.911 178.224 177.300 0.021 0.000 1.160 375 P CA 0.920 63.905 63.100 -0.192 0.000 0.777 375 P CB 0.167 31.838 31.700 -0.048 0.000 0.814 376 V N -3.366 116.483 119.914 -0.108 0.000 3.276 376 V HA 0.347 4.466 4.120 -0.002 0.000 0.319 376 V C 1.142 177.221 176.094 -0.025 0.000 1.427 376 V CA 0.662 62.931 62.300 -0.052 0.000 1.102 376 V CB -0.574 31.139 31.823 -0.184 0.000 1.020 376 V HN 0.172 nan 8.190 nan 0.000 0.456 377 S N -0.730 114.952 115.700 -0.031 0.000 2.893 377 S HA 0.293 4.762 4.470 -0.002 0.000 0.258 377 S C 0.594 175.198 174.600 0.008 0.000 1.034 377 S CA 0.425 58.613 58.200 -0.019 0.000 1.167 377 S CB 0.254 63.416 63.200 -0.063 0.000 1.137 377 S HN 0.849 nan 8.310 nan 0.000 0.650 378 T N 0.237 114.799 114.554 0.013 0.000 2.916 378 T HA 0.747 5.096 4.350 -0.002 0.000 0.292 378 T C -3.372 171.441 174.700 0.189 0.000 1.064 378 T CA -2.226 59.902 62.100 0.046 0.000 1.011 378 T CB 1.923 70.745 68.868 -0.076 0.000 1.152 378 T HN -0.025 nan 8.240 nan 0.000 0.510 379 P HA 0.345 nan 4.420 nan 0.000 0.277 379 P C -1.536 175.691 177.300 -0.121 0.000 1.271 379 P CA -0.361 62.644 63.100 -0.159 0.000 0.795 379 P CB 0.485 31.834 31.700 -0.585 0.000 1.101 380 Y N -1.202 119.072 120.300 -0.045 0.000 2.552 380 Y HA 0.488 5.037 4.550 -0.002 0.000 0.337 380 Y C -0.196 175.923 175.900 0.366 0.000 1.094 380 Y CA 0.574 58.775 58.100 0.168 0.000 1.028 380 Y CB 1.548 40.067 38.460 0.098 0.000 1.321 380 Y HN 0.997 nan 8.280 nan 0.000 0.456 381 G N 1.461 109.787 108.800 -0.790 0.000 2.730 381 G HA2 -0.012 3.947 3.960 -0.002 0.000 0.686 381 G HA3 -0.012 3.947 3.960 -0.002 0.000 0.686 381 G C -2.160 172.762 174.900 0.036 0.000 1.343 381 G CA -0.605 44.160 45.100 -0.558 0.000 0.826 381 G HN 1.076 nan 8.290 nan 0.000 0.582 382 V N 2.428 122.356 119.914 0.022 0.000 2.328 382 V HA 0.403 4.522 4.120 -0.002 0.000 0.278 382 V C 1.754 177.943 176.094 0.159 0.000 1.021 382 V CA 0.294 62.681 62.300 0.144 0.000 0.838 382 V CB 1.213 33.074 31.823 0.063 0.000 0.999 382 V HN 0.943 nan 8.190 nan 0.000 0.447 383 R N 2.754 123.373 120.500 0.199 0.000 2.083 383 R HA -0.103 4.236 4.340 -0.002 0.000 0.237 383 R C 0.488 176.859 176.300 0.119 0.000 1.137 383 R CA 1.637 57.825 56.100 0.147 0.000 0.951 383 R CB 0.285 30.661 30.300 0.127 0.000 0.851 383 R HN 0.749 nan 8.270 nan 0.000 0.434 384 D N -1.032 119.448 120.400 0.132 0.000 2.404 384 D HA 0.193 4.832 4.640 -0.002 0.000 0.267 384 D C -2.132 174.241 176.300 0.122 0.000 1.194 384 D CA -2.252 51.812 54.000 0.106 0.000 0.910 384 D CB 1.662 42.514 40.800 0.087 0.000 1.090 384 D HN -0.041 nan 8.370 nan 0.000 0.511 385 P HA -0.091 nan 4.420 nan 0.000 0.217 385 P C 1.232 178.582 177.300 0.083 0.000 1.150 385 P CA 0.994 64.145 63.100 0.086 0.000 0.832 385 P CB 0.520 32.251 31.700 0.051 0.000 0.787 386 K N -0.270 120.172 120.400 0.070 0.000 2.026 386 K HA -0.100 4.219 4.320 -0.002 0.000 0.208 386 K C 2.180 178.828 176.600 0.080 0.000 1.048 386 K CA 1.617 57.941 56.287 0.062 0.000 0.929 386 K CB -0.763 31.766 32.500 0.048 0.000 0.713 386 K HN 0.041 nan 8.250 nan 0.000 0.439 387 A N 1.570 124.444 122.820 0.090 0.000 1.902 387 A HA -0.135 4.184 4.320 -0.002 0.000 0.217 387 A C 2.378 180.055 177.584 0.156 0.000 1.181 387 A CA 1.891 53.987 52.037 0.099 0.000 0.623 387 A CB -0.666 18.384 19.000 0.083 0.000 0.818 387 A HN 0.353 nan 8.150 nan 0.000 0.443 388 A N -0.639 122.310 122.820 0.216 0.000 1.933 388 A HA 0.019 4.337 4.320 -0.002 0.000 0.218 388 A C 2.195 179.984 177.584 0.342 0.000 1.175 388 A CA 1.719 53.978 52.037 0.370 0.000 0.628 388 A CB -0.812 18.424 19.000 0.392 0.000 0.814 388 A HN 0.388 nan 8.150 nan 0.000 0.444 389 V N 0.465 120.480 119.914 0.168 0.000 2.427 389 V HA -0.216 3.903 4.120 -0.002 0.000 0.248 389 V C 2.131 178.296 176.094 0.118 0.000 1.051 389 V CA 2.158 64.517 62.300 0.100 0.000 1.048 389 V CB -0.725 31.125 31.823 0.045 0.000 0.666 389 V HN 0.483 nan 8.190 nan 0.000 0.456 390 D N -0.207 120.262 120.400 0.115 0.000 2.117 390 D HA -0.186 4.453 4.640 -0.002 0.000 0.197 390 D C 2.350 178.723 176.300 0.122 0.000 0.987 390 D CA 1.267 55.325 54.000 0.095 0.000 0.829 390 D CB -0.168 40.675 40.800 0.071 0.000 0.961 390 D HN 0.532 nan 8.370 nan 0.000 0.460 391 Q N -0.153 119.751 119.800 0.174 0.000 2.135 391 Q HA -0.151 4.188 4.340 -0.002 0.000 0.204 391 Q C 2.190 178.375 176.000 0.309 0.000 0.981 391 Q CA 0.641 56.557 55.803 0.187 0.000 0.856 391 Q CB -0.112 28.711 28.738 0.142 0.000 0.902 391 Q HN 0.177 nan 8.270 nan 0.000 0.425 392 L N 1.007 122.471 121.223 0.401 0.000 2.083 392 L HA -0.174 4.165 4.340 -0.002 0.000 0.209 392 L C 2.318 179.281 176.870 0.154 0.000 1.083 392 L CA 1.724 56.741 54.840 0.295 0.000 0.752 392 L CB -0.463 41.633 42.059 0.061 0.000 0.899 392 L HN 0.073 nan 8.230 nan 0.000 0.433 393 R N -1.199 119.368 120.500 0.112 0.000 2.080 393 R HA -0.173 4.165 4.340 -0.002 0.000 0.236 393 R C 2.019 178.361 176.300 0.069 0.000 1.137 393 R CA 2.207 58.350 56.100 0.071 0.000 0.943 393 R CB -0.493 29.841 30.300 0.056 0.000 0.846 393 R HN 0.416 nan 8.270 nan 0.000 0.431 394 T N 0.592 115.191 114.554 0.074 0.000 2.746 394 T HA -0.126 4.223 4.350 -0.002 0.000 0.267 394 T C 1.806 176.546 174.700 0.066 0.000 1.039 394 T CA 1.400 63.534 62.100 0.056 0.000 1.142 394 T CB -0.300 68.593 68.868 0.042 0.000 0.866 394 T HN 0.465 nan 8.240 nan 0.000 0.444 395 A N 0.722 123.606 122.820 0.107 0.000 2.015 395 A HA 0.035 4.354 4.320 -0.002 0.000 0.219 395 A C 2.246 179.894 177.584 0.107 0.000 1.163 395 A CA 0.949 53.059 52.037 0.123 0.000 0.646 395 A CB -0.720 18.405 19.000 0.209 0.000 0.806 395 A HN 0.519 nan 8.150 nan 0.000 0.448 396 I N -0.317 120.307 120.570 0.091 0.000 2.202 396 I HA -0.267 3.901 4.170 -0.002 0.000 0.242 396 I C 2.979 179.128 176.117 0.054 0.000 1.091 396 I CA 1.106 62.446 61.300 0.067 0.000 1.368 396 I CB -0.293 37.737 38.000 0.049 0.000 1.058 396 I HN 0.339 nan 8.210 nan 0.000 0.410 397 A N 0.845 123.692 122.820 0.043 0.000 1.908 397 A HA -0.231 4.088 4.320 -0.002 0.000 0.218 397 A C 2.050 179.648 177.584 0.023 0.000 1.181 397 A CA 2.062 54.115 52.037 0.028 0.000 0.627 397 A CB -0.729 18.283 19.000 0.020 0.000 0.818 397 A HN 0.417 nan 8.150 nan 0.000 0.445 398 N N -0.258 118.460 118.700 0.030 0.000 2.166 398 N HA -0.097 4.642 4.740 -0.002 0.000 0.186 398 N C 1.698 177.222 175.510 0.024 0.000 1.019 398 N CA 1.911 54.971 53.050 0.016 0.000 0.856 398 N CB -0.782 37.721 38.487 0.026 0.000 0.993 398 N HN 0.517 nan 8.380 nan 0.000 0.426 399 T N 1.160 115.764 114.554 0.084 0.000 2.812 399 T HA -0.005 4.344 4.350 -0.002 0.000 0.264 399 T C 1.824 176.603 174.700 0.131 0.000 1.042 399 T CA 0.948 63.149 62.100 0.170 0.000 1.140 399 T CB 0.063 69.037 68.868 0.176 0.000 0.870 399 T HN 0.280 nan 8.240 nan 0.000 0.445 400 K N 0.802 121.244 120.400 0.069 0.000 2.057 400 K HA 0.007 4.326 4.320 -0.002 0.000 0.206 400 K C 2.556 179.159 176.600 0.004 0.000 1.050 400 K CA 0.757 57.071 56.287 0.044 0.000 0.935 400 K CB -0.127 32.391 32.500 0.029 0.000 0.715 400 K HN 0.148 nan 8.250 nan 0.000 0.439 401 R N 1.740 122.228 120.500 -0.020 0.000 2.083 401 R HA -0.159 4.180 4.340 -0.002 0.000 0.237 401 R C 1.944 178.174 176.300 -0.117 0.000 1.137 401 R CA 1.732 57.799 56.100 -0.054 0.000 0.951 401 R CB 0.067 30.336 30.300 -0.052 0.000 0.851 401 R HN 0.083 nan 8.270 nan 0.000 0.434 402 K N -1.238 119.035 120.400 -0.211 0.000 2.076 402 K HA -0.117 4.202 4.320 -0.002 0.000 0.204 402 K C 1.426 177.704 176.600 -0.536 0.000 1.051 402 K CA 1.412 57.412 56.287 -0.479 0.000 0.949 402 K CB 0.142 32.146 32.500 -0.826 0.000 0.726 402 K HN 0.335 nan 8.250 nan 0.000 0.443 403 Y N -1.619 118.668 120.300 -0.021 0.000 2.453 403 Y HA 0.200 4.749 4.550 -0.002 0.000 0.247 403 Y C 1.320 177.200 175.900 -0.032 0.000 1.124 403 Y CA 0.021 58.100 58.100 -0.036 0.000 1.243 403 Y CB 1.664 40.097 38.460 -0.044 0.000 1.213 403 Y HN 0.230 nan 8.280 nan 0.000 0.523 404 G N 0.585 109.436 108.800 0.083 0.000 2.213 404 G HA2 -0.030 3.929 3.960 -0.002 0.000 0.236 404 G HA3 -0.030 3.929 3.960 -0.002 0.000 0.236 404 G C 0.108 175.035 174.900 0.044 0.000 0.991 404 G CA -0.070 45.058 45.100 0.046 0.000 0.629 404 G HN 0.813 nan 8.290 nan 0.000 0.517 405 A N -1.056 121.804 122.820 0.067 0.000 2.583 405 A HA 0.700 5.019 4.320 -0.002 0.000 0.292 405 A C 0.706 178.320 177.584 0.051 0.000 1.045 405 A CA 0.023 52.085 52.037 0.041 0.000 0.672 405 A CB -0.130 18.881 19.000 0.019 0.000 1.283 405 A HN 1.475 nan 8.150 nan 0.000 0.419 406 I N -1.877 118.710 120.570 0.027 0.000 3.291 406 I HA 0.181 4.349 4.170 -0.002 0.000 0.279 406 I C 0.502 176.606 176.117 -0.023 0.000 1.294 406 I CA 1.397 62.708 61.300 0.017 0.000 1.428 406 I CB -0.062 37.944 38.000 0.010 0.000 1.070 406 I HN 0.460 nan 8.210 nan 0.000 0.478 407 D N 0.954 121.334 120.400 -0.032 0.000 2.692 407 D HA 0.083 4.721 4.640 -0.002 0.000 0.290 407 D C 0.405 176.666 176.300 -0.066 0.000 1.455 407 D CA -0.436 53.527 54.000 -0.062 0.000 0.796 407 D CB -0.300 40.469 40.800 -0.051 0.000 1.131 407 D HN 0.308 nan 8.370 nan 0.000 0.467 408 R N 1.394 121.853 120.500 -0.068 0.000 2.489 408 R HA 0.263 4.602 4.340 -0.002 0.000 0.287 408 R C -2.260 173.972 176.300 -0.115 0.000 1.053 408 R CA -0.971 55.080 56.100 -0.082 0.000 1.036 408 R CB 0.296 30.550 30.300 -0.078 0.000 0.966 408 R HN -0.120 nan 8.270 nan 0.000 0.432 409 P HA -0.098 nan 4.420 nan 0.000 0.262 409 P C -0.187 177.054 177.300 -0.097 0.000 1.182 409 P CA 0.229 63.289 63.100 -0.068 0.000 0.761 409 P CB 0.263 31.933 31.700 -0.050 0.000 0.795 410 F N 3.951 123.767 119.950 -0.223 0.000 2.095 410 F HA -0.138 4.388 4.527 -0.002 0.000 0.298 410 F C 2.105 177.708 175.800 -0.329 0.000 1.104 410 F CA 2.463 60.291 58.000 -0.288 0.000 1.232 410 F CB -0.706 38.182 39.000 -0.187 0.000 0.987 410 F HN 0.386 nan 8.300 nan 0.000 0.475 411 G N -1.342 107.412 108.800 -0.077 0.000 2.848 411 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.208 411 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.208 411 G C 1.021 175.799 174.900 -0.203 0.000 1.152 411 G CA 0.787 45.783 45.100 -0.174 0.000 0.789 411 G HN 0.497 nan 8.290 nan 0.000 0.531 412 D N -0.110 120.173 120.400 -0.194 0.000 2.216 412 D HA 0.208 4.846 4.640 -0.002 0.000 0.208 412 D C 2.538 178.720 176.300 -0.197 0.000 0.960 412 D CA 0.949 54.856 54.000 -0.155 0.000 0.861 412 D CB 0.012 40.750 40.800 -0.104 0.000 0.985 412 D HN 0.136 nan 8.370 nan 0.000 0.493 413 A N -0.299 122.340 122.820 -0.302 0.000 1.903 413 A HA 0.152 4.471 4.320 -0.002 0.000 0.213 413 A C 1.213 178.527 177.584 -0.450 0.000 1.185 413 A CA 0.366 52.215 52.037 -0.313 0.000 0.628 413 A CB -0.029 18.717 19.000 -0.422 0.000 0.830 413 A HN 0.189 nan 8.150 nan 0.000 0.446 414 S N 1.831 117.058 115.700 -0.789 0.000 2.399 414 S HA 0.540 5.009 4.470 -0.002 0.000 0.301 414 S C -0.270 173.923 174.600 -0.678 0.000 1.093 414 S CA -0.579 56.898 58.200 -1.204 0.000 1.077 414 S CB 0.348 62.105 63.200 -2.405 0.000 0.980 414 S HN 0.364 nan 8.310 nan 0.000 0.494 415 R N 2.133 122.467 120.500 -0.278 0.000 2.803 415 R HA 0.525 4.864 4.340 -0.002 0.000 0.276 415 R C -0.695 175.689 176.300 0.140 0.000 0.978 415 R CA -0.667 55.403 56.100 -0.051 0.000 0.939 415 R CB 1.277 31.554 30.300 -0.038 0.000 1.179 415 R HN 0.545 nan 8.270 nan 0.000 0.472 416 M N 3.278 122.945 119.600 0.112 0.000 2.072 416 M HA 0.506 4.985 4.480 -0.002 0.000 0.331 416 M C -0.465 175.908 176.300 0.121 0.000 1.004 416 M CA -0.243 55.148 55.300 0.152 0.000 0.952 416 M CB 1.185 33.868 32.600 0.139 0.000 1.511 416 M HN 0.319 nan 8.290 nan 0.000 0.422 417 I N 5.576 126.233 120.570 0.145 0.000 2.439 417 I HA 0.482 4.651 4.170 -0.002 0.000 0.283 417 I C -1.110 175.089 176.117 0.137 0.000 1.023 417 I CA -0.460 60.909 61.300 0.114 0.000 1.100 417 I CB 1.444 39.504 38.000 0.099 0.000 1.238 417 I HN 0.616 nan 8.210 nan 0.000 0.445 418 L N 6.607 127.887 121.223 0.096 0.000 2.409 418 L HA 0.553 4.892 4.340 -0.002 0.000 0.272 418 L C 0.274 177.227 176.870 0.139 0.000 0.980 418 L CA -0.652 54.248 54.840 0.100 0.000 0.826 418 L CB 1.595 43.567 42.059 -0.145 0.000 1.268 418 L HN 0.625 nan 8.230 nan 0.000 0.407 419 N N 2.342 121.175 118.700 0.222 0.000 1.150 419 N HA -0.301 4.438 4.740 -0.002 0.000 0.130 419 N C 0.493 176.062 175.510 0.097 0.000 0.650 419 N CA 2.153 55.297 53.050 0.156 0.000 0.910 419 N CB -0.617 37.967 38.487 0.162 0.000 1.255 419 N HN 0.993 nan 8.380 nan 0.000 0.537 420 D N 1.165 121.609 120.400 0.075 0.000 2.388 420 D HA 0.207 4.846 4.640 -0.002 0.000 0.221 420 D C -0.121 176.205 176.300 0.044 0.000 1.133 420 D CA 0.002 54.034 54.000 0.052 0.000 0.831 420 D CB -0.281 40.543 40.800 0.041 0.000 0.962 420 D HN 0.220 nan 8.370 nan 0.000 0.502 421 V N 1.416 121.359 119.914 0.048 0.000 2.439 421 V HA 0.356 4.475 4.120 -0.002 0.000 0.282 421 V C -0.078 176.039 176.094 0.038 0.000 1.039 421 V CA -0.786 61.535 62.300 0.035 0.000 0.913 421 V CB 1.297 33.136 31.823 0.025 0.000 0.983 421 V HN 0.184 nan 8.190 nan 0.000 0.460 422 N N 4.088 122.806 118.700 0.029 0.000 2.581 422 N HA 0.482 5.220 4.740 -0.002 0.000 0.279 422 N C -1.152 174.368 175.510 0.015 0.000 1.124 422 N CA -0.168 52.898 53.050 0.028 0.000 0.833 422 N CB 2.018 40.519 38.487 0.023 0.000 1.338 422 N HN 0.555 nan 8.380 nan 0.000 0.533 423 V N 1.294 121.217 119.914 0.016 0.000 3.001 423 V HA 0.815 4.934 4.120 -0.002 0.000 0.314 423 V C -2.574 173.516 176.094 -0.007 0.000 1.099 423 V CA -2.256 60.047 62.300 0.005 0.000 0.989 423 V CB 1.925 33.751 31.823 0.006 0.000 1.040 423 V HN 0.371 nan 8.190 nan 0.000 0.434 424 P HA 0.292 nan 4.420 nan 0.000 0.271 424 P C 0.171 177.454 177.300 -0.028 0.000 1.216 424 P CA 0.597 63.675 63.100 -0.037 0.000 0.771 424 P CB 0.957 32.645 31.700 -0.020 0.000 0.864 425 G N 1.496 110.251 108.800 -0.076 0.000 2.476 425 G HA2 0.598 4.557 3.960 -0.002 0.000 0.286 425 G HA3 0.598 4.557 3.960 -0.002 0.000 0.286 425 G C -0.932 174.033 174.900 0.109 0.000 1.177 425 G CA -0.342 44.756 45.100 -0.003 0.000 0.870 425 G HN 0.713 nan 8.290 nan 0.000 0.528 426 A N -0.358 122.612 122.820 0.249 0.000 2.602 426 A HA 1.035 5.353 4.320 -0.002 0.000 0.290 426 A C 0.283 178.192 177.584 0.541 0.000 1.114 426 A CA 0.394 52.677 52.037 0.409 0.000 0.683 426 A CB 0.855 20.021 19.000 0.276 0.000 1.281 426 A HN 2.825 nan 8.150 nan 0.000 0.416 427 A N -1.570 121.558 122.820 0.514 0.000 6.848 427 A HA 0.443 4.762 4.320 -0.002 0.000 0.247 427 A C 1.161 179.072 177.584 0.544 0.000 2.199 427 A CA 1.388 53.756 52.037 0.551 0.000 0.681 427 A CB -1.828 17.558 19.000 0.644 0.000 1.069 427 A HN 3.143 nan 8.150 nan 0.000 0.381 428 G N -2.377 106.550 108.800 0.211 0.000 2.562 428 G HA2 0.577 4.536 3.960 -0.002 0.000 0.190 428 G HA3 0.577 4.536 3.960 -0.002 0.000 0.190 428 G C -0.795 173.974 174.900 -0.218 0.000 1.196 428 G CA -0.030 45.037 45.100 -0.056 0.000 0.986 428 G HN 1.419 nan 8.290 nan 0.000 0.512 429 Y N 1.937 122.164 120.300 -0.123 0.000 2.436 429 Y HA 0.350 4.899 4.550 -0.002 0.000 0.336 429 Y C 1.850 177.753 175.900 0.005 0.000 1.049 429 Y CA 0.508 58.589 58.100 -0.031 0.000 1.294 429 Y CB 1.568 40.026 38.460 -0.004 0.000 1.179 429 Y HN 0.600 nan 8.280 nan 0.000 0.520 430 G N 2.697 111.599 108.800 0.169 0.000 2.469 430 G HA2 -0.332 3.626 3.960 -0.002 0.000 0.219 430 G HA3 -0.332 3.626 3.960 -0.002 0.000 0.219 430 G C 1.404 176.424 174.900 0.201 0.000 1.150 430 G CA 0.982 46.169 45.100 0.145 0.000 0.763 430 G HN 0.574 nan 8.290 nan 0.000 0.561 431 N N 0.193 119.035 118.700 0.236 0.000 2.520 431 N HA 0.036 4.775 4.740 -0.002 0.000 0.185 431 N C 1.908 177.565 175.510 0.246 0.000 1.068 431 N CA 0.333 53.533 53.050 0.250 0.000 0.911 431 N CB -0.064 38.607 38.487 0.306 0.000 0.961 431 N HN 0.334 nan 8.380 nan 0.000 0.446 432 L N -1.454 119.890 121.223 0.201 0.000 2.558 432 L HA 0.212 4.551 4.340 -0.002 0.000 0.225 432 L C 1.296 178.380 176.870 0.357 0.000 1.128 432 L CA 0.372 55.376 54.840 0.273 0.000 0.868 432 L CB 0.073 42.306 42.059 0.289 0.000 1.006 432 L HN 0.228 nan 8.230 nan 0.000 0.454 433 G N -0.839 108.145 108.800 0.306 0.000 2.211 433 G HA2 -0.240 3.718 3.960 -0.002 0.000 0.201 433 G HA3 -0.240 3.718 3.960 -0.002 0.000 0.201 433 G C 0.384 175.468 174.900 0.307 0.000 0.997 433 G CA 0.111 45.380 45.100 0.282 0.000 0.652 433 G HN 0.190 nan 8.290 nan 0.000 0.500 434 S N 0.048 115.956 115.700 0.346 0.000 2.516 434 S HA 0.465 4.934 4.470 -0.002 0.000 0.282 434 S C 1.112 175.864 174.600 0.253 0.000 1.286 434 S CA 0.253 58.658 58.200 0.341 0.000 1.066 434 S CB 0.264 63.633 63.200 0.282 0.000 0.884 434 S HN 0.624 nan 8.310 nan 0.000 0.491 435 F N 5.502 125.524 119.950 0.121 0.000 2.118 435 F HA 0.249 4.775 4.527 -0.002 0.000 0.293 435 F C 1.439 177.236 175.800 -0.006 0.000 1.102 435 F CA 0.772 58.803 58.000 0.052 0.000 1.247 435 F CB -0.075 38.946 39.000 0.035 0.000 1.017 435 F HN 0.526 nan 8.300 nan 0.000 0.475 436 R N 1.452 121.983 120.500 0.052 0.000 2.449 436 R HA 0.304 4.642 4.340 -0.002 0.000 0.296 436 R C -1.488 174.685 176.300 -0.213 0.000 1.047 436 R CA -0.060 55.976 56.100 -0.107 0.000 1.018 436 R CB 0.412 30.764 30.300 0.087 0.000 0.962 436 R HN 0.045 nan 8.270 nan 0.000 0.428 437 V N 6.549 126.115 119.914 -0.579 0.000 2.448 437 V HA 0.422 4.541 4.120 -0.002 0.000 0.295 437 V C -0.852 174.617 176.094 -1.041 0.000 1.025 437 V CA -0.518 61.374 62.300 -0.680 0.000 0.859 437 V CB 1.426 32.729 31.823 -0.867 0.000 0.988 437 V HN 0.609 nan 8.190 nan 0.000 0.431 438 F N 1.627 121.260 119.950 -0.528 0.000 2.610 438 F HA 0.333 4.859 4.527 -0.002 0.000 0.355 438 F C 0.694 175.797 175.800 -1.163 0.000 1.140 438 F CA -0.536 56.904 58.000 -0.933 0.000 1.037 438 F CB 1.830 40.067 39.000 -1.272 0.000 1.287 438 F HN 0.317 nan 8.300 nan 0.000 0.457 439 T N 2.606 116.779 114.554 -0.636 0.000 2.978 439 T HA 0.025 4.374 4.350 -0.002 0.000 0.278 439 T C -0.246 174.194 174.700 -0.433 0.000 0.945 439 T CA -0.274 61.593 62.100 -0.389 0.000 1.070 439 T CB -0.527 68.308 68.868 -0.054 0.000 0.948 439 T HN 0.312 nan 8.240 nan 0.000 0.617 440 W N 3.094 124.169 121.300 -0.375 0.000 2.210 440 W HA 0.274 4.933 4.660 -0.002 0.000 0.330 440 W C 1.268 177.818 176.519 0.052 0.000 1.334 440 W CA -0.795 56.439 57.345 -0.184 0.000 1.227 440 W CB 0.205 29.517 29.460 -0.246 0.000 1.178 440 W HN 0.556 nan 8.180 nan 0.000 0.560 441 S N 1.692 117.531 115.700 0.232 0.000 2.596 441 S HA 0.053 4.522 4.470 -0.002 0.000 0.260 441 S C 0.031 174.753 174.600 0.204 0.000 1.336 441 S CA -0.921 57.382 58.200 0.173 0.000 0.993 441 S CB 0.580 63.845 63.200 0.108 0.000 0.923 441 S HN 0.418 nan 8.310 nan 0.000 0.567 442 D N 2.852 123.330 120.400 0.130 0.000 2.449 442 D HA 0.248 4.887 4.640 -0.002 0.000 0.236 442 D C -1.929 174.406 176.300 0.059 0.000 1.149 442 D CA -0.764 53.286 54.000 0.083 0.000 0.878 442 D CB 0.060 40.877 40.800 0.029 0.000 1.198 442 D HN 0.441 nan 8.370 nan 0.000 0.446 443 P HA 0.073 nan 4.420 nan 0.000 0.274 443 P C -0.250 177.031 177.300 -0.030 0.000 1.231 443 P CA -0.492 62.602 63.100 -0.010 0.000 0.790 443 P CB 0.758 32.383 31.700 -0.125 0.000 0.951 444 D N 0.603 120.998 120.400 -0.010 0.000 2.398 444 D HA -0.060 4.579 4.640 -0.002 0.000 0.264 444 D C 1.216 177.497 176.300 -0.033 0.000 1.263 444 D CA -0.238 53.754 54.000 -0.014 0.000 1.037 444 D CB -0.015 40.788 40.800 0.004 0.000 1.101 444 D HN 0.516 nan 8.370 nan 0.000 0.551 445 E N -0.581 119.604 120.200 -0.025 0.000 2.347 445 E HA -0.181 4.168 4.350 -0.002 0.000 0.196 445 E C 0.203 176.788 176.600 -0.026 0.000 1.008 445 E CA 0.614 56.996 56.400 -0.030 0.000 0.852 445 E CB -0.403 29.284 29.700 -0.021 0.000 0.783 445 E HN 0.318 nan 8.360 nan 0.000 0.505 446 N N 0.631 119.322 118.700 -0.015 0.000 2.268 446 N HA 0.093 4.832 4.740 -0.002 0.000 0.204 446 N C 0.857 176.372 175.510 0.008 0.000 1.124 446 N CA 0.787 53.834 53.050 -0.005 0.000 0.838 446 N CB 0.942 39.428 38.487 -0.001 0.000 0.994 446 N HN 0.423 nan 8.380 nan 0.000 0.489 447 G N -0.033 108.766 108.800 -0.002 0.000 2.148 447 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.254 447 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.254 447 G C -0.059 174.906 174.900 0.110 0.000 0.981 447 G CA 0.248 45.381 45.100 0.055 0.000 0.670 447 G HN 0.214 nan 8.290 nan 0.000 0.528 448 V N 1.956 121.891 119.914 0.036 0.000 2.465 448 V HA 0.691 4.810 4.120 -0.002 0.000 0.279 448 V C 0.792 176.900 176.094 0.024 0.000 1.045 448 V CA 0.051 62.355 62.300 0.007 0.000 0.938 448 V CB 1.244 33.066 31.823 -0.003 0.000 0.986 448 V HN 0.706 nan 8.190 nan 0.000 0.467 449 R N 2.411 122.913 120.500 0.005 0.000 2.837 449 R HA 0.892 5.231 4.340 -0.002 0.000 0.271 449 R C -0.769 175.617 176.300 0.143 0.000 0.993 449 R CA -0.657 55.489 56.100 0.075 0.000 0.931 449 R CB 2.249 32.618 30.300 0.116 0.000 1.206 449 R HN 0.647 nan 8.270 nan 0.000 0.474 450 T N -2.050 112.638 114.554 0.223 0.000 2.865 450 T HA 0.549 4.898 4.350 -0.002 0.000 0.294 450 T C -2.926 171.803 174.700 0.049 0.000 1.119 450 T CA -2.478 59.770 62.100 0.246 0.000 1.007 450 T CB 2.068 71.013 68.868 0.130 0.000 1.225 450 T HN 0.382 nan 8.240 nan 0.000 0.515 451 P HA 0.213 nan 4.420 nan 0.000 0.271 451 P C 1.162 178.057 177.300 -0.674 0.000 1.226 451 P CA -0.533 62.047 63.100 -0.867 0.000 0.765 451 P CB 0.792 31.548 31.700 -1.573 0.000 0.835 452 V N 0.793 120.462 119.914 -0.407 0.000 3.235 452 V HA 0.163 4.282 4.120 -0.002 0.000 0.259 452 V C 0.490 176.504 176.094 -0.133 0.000 1.133 452 V CA 1.119 63.314 62.300 -0.175 0.000 1.128 452 V CB -0.898 30.912 31.823 -0.023 0.000 0.757 452 V HN 0.647 nan 8.190 nan 0.000 0.469 453 H N -1.251 117.516 119.070 -0.505 0.000 3.043 453 H HA 0.568 5.122 4.556 -0.002 0.000 0.317 453 H C -0.323 174.767 175.328 -0.396 0.000 1.321 453 H CA 0.248 56.154 56.048 -0.237 0.000 1.243 453 H CB 1.489 31.209 29.762 -0.071 0.000 1.924 453 H HN 0.594 nan 8.280 nan 0.000 0.527 454 G N 2.448 110.927 108.800 -0.535 0.000 2.292 454 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.194 454 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.194 454 G C -1.202 173.539 174.900 -0.264 0.000 1.329 454 G CA -0.485 44.267 45.100 -0.579 0.000 1.100 454 G HN 0.539 nan 8.290 nan 0.000 0.470 455 E N 1.467 121.399 120.200 -0.446 0.000 2.558 455 E HA 0.275 4.624 4.350 -0.002 0.000 0.255 455 E C 1.120 177.707 176.600 -0.022 0.000 0.968 455 E CA 1.169 57.448 56.400 -0.202 0.000 0.939 455 E CB 1.046 30.519 29.700 -0.380 0.000 0.921 455 E HN 0.819 nan 8.360 nan 0.000 0.477 456 T N -0.426 114.046 114.554 -0.136 0.000 3.216 456 T HA 0.075 4.424 4.350 -0.002 0.000 0.167 456 T C 0.331 174.864 174.700 -0.280 0.000 0.905 456 T CA -0.651 61.230 62.100 -0.365 0.000 1.042 456 T CB -0.004 68.819 68.868 -0.075 0.000 1.787 456 T HN 0.595 nan 8.240 nan 0.000 0.355 457 W N 3.250 124.300 121.300 -0.417 0.000 2.322 457 W HA 0.577 5.236 4.660 -0.002 0.000 0.307 457 W C -1.879 174.449 176.519 -0.319 0.000 1.220 457 W CA -0.739 56.368 57.345 -0.397 0.000 1.210 457 W CB 1.001 30.099 29.460 -0.603 0.000 1.223 457 W HN 0.265 nan 8.180 nan 0.000 0.511 458 V N 6.281 125.686 119.914 -0.848 0.000 2.447 458 V HA 0.654 4.773 4.120 -0.002 0.000 0.292 458 V C -0.094 175.466 176.094 -0.890 0.000 1.021 458 V CA -0.739 61.156 62.300 -0.674 0.000 0.850 458 V CB 0.590 32.299 31.823 -0.190 0.000 1.005 458 V HN 0.655 nan 8.190 nan 0.000 0.426 459 A N 5.499 127.815 122.820 -0.840 0.000 2.475 459 A HA 1.029 5.348 4.320 -0.002 0.000 0.301 459 A C -1.034 176.352 177.584 -0.331 0.000 1.059 459 A CA -0.689 50.995 52.037 -0.589 0.000 0.710 459 A CB 2.073 20.762 19.000 -0.518 0.000 1.288 459 A HN 0.759 nan 8.150 nan 0.000 0.408 460 M N 1.595 121.032 119.600 -0.271 0.000 2.213 460 M HA 0.547 5.026 4.480 -0.002 0.000 0.286 460 M C -1.491 174.682 176.300 -0.211 0.000 1.008 460 M CA 0.200 55.437 55.300 -0.105 0.000 0.937 460 M CB 1.945 34.519 32.600 -0.043 0.000 1.600 460 M HN 0.529 nan 8.290 nan 0.000 0.450 461 I N 1.701 122.094 120.570 -0.294 0.000 2.498 461 I HA 0.399 4.568 4.170 -0.002 0.000 0.290 461 I C -0.505 175.274 176.117 -0.563 0.000 1.032 461 I CA -0.448 60.482 61.300 -0.617 0.000 1.073 461 I CB 2.100 39.469 38.000 -1.052 0.000 1.251 461 I HN 0.607 nan 8.210 nan 0.000 0.426 462 E N 5.389 125.280 120.200 -0.515 0.000 2.151 462 E HA 0.373 4.722 4.350 -0.002 0.000 0.275 462 E C -1.021 175.298 176.600 -0.468 0.000 0.936 462 E CA -0.532 55.633 56.400 -0.391 0.000 0.777 462 E CB 0.817 30.383 29.700 -0.224 0.000 1.108 462 E HN 0.487 nan 8.360 nan 0.000 0.401 463 F N 3.690 123.565 119.950 -0.126 0.000 2.871 463 F HA 0.105 4.631 4.527 -0.002 0.000 0.317 463 F C 0.854 176.617 175.800 -0.062 0.000 1.193 463 F CA -0.450 57.499 58.000 -0.085 0.000 1.311 463 F CB -0.071 38.877 39.000 -0.087 0.000 1.380 463 F HN 0.309 nan 8.300 nan 0.000 0.557 464 S N -1.285 114.416 115.700 0.002 0.000 2.633 464 S HA 0.336 4.805 4.470 -0.002 0.000 0.257 464 S C 0.296 174.909 174.600 0.023 0.000 1.265 464 S CA -0.660 57.541 58.200 0.003 0.000 0.980 464 S CB 0.804 63.982 63.200 -0.037 0.000 1.017 464 S HN 0.169 nan 8.310 nan 0.000 0.577 465 T N 2.745 117.309 114.554 0.016 0.000 2.934 465 T HA 0.501 4.849 4.350 -0.002 0.000 0.328 465 T C -2.146 172.559 174.700 0.008 0.000 1.068 465 T CA -0.842 61.272 62.100 0.023 0.000 1.018 465 T CB 0.832 69.717 68.868 0.029 0.000 1.009 465 T HN 0.648 nan 8.240 nan 0.000 0.471 466 P HA 0.384 nan 4.420 nan 0.000 0.274 466 P C 0.113 177.399 177.300 -0.022 0.000 1.256 466 P CA -0.615 62.487 63.100 0.003 0.000 0.795 466 P CB 0.423 32.121 31.700 -0.004 0.000 1.038 467 V N -1.568 118.330 119.914 -0.027 0.000 3.096 467 V HA 0.346 4.465 4.120 -0.002 0.000 0.306 467 V C 0.345 176.346 176.094 -0.155 0.000 1.088 467 V CA -0.449 61.785 62.300 -0.111 0.000 1.129 467 V CB 0.133 31.874 31.823 -0.138 0.000 1.014 467 V HN 0.630 nan 8.190 nan 0.000 0.486 468 R N 2.155 122.517 120.500 -0.230 0.000 2.513 468 R HA 0.763 5.102 4.340 -0.002 0.000 0.301 468 R C -0.843 175.249 176.300 -0.346 0.000 0.968 468 R CA -0.070 55.882 56.100 -0.245 0.000 0.872 468 R CB 1.784 32.000 30.300 -0.140 0.000 1.177 468 R HN 1.223 nan 8.270 nan 0.000 0.444 469 A N 3.644 126.190 122.820 -0.458 0.000 2.515 469 A HA 0.669 4.988 4.320 -0.002 0.000 0.298 469 A C -1.970 175.260 177.584 -0.590 0.000 1.059 469 A CA -0.526 51.222 52.037 -0.481 0.000 0.698 469 A CB 1.207 19.865 19.000 -0.569 0.000 1.289 469 A HN 0.662 nan 8.150 nan 0.000 0.404 470 Y N -0.116 120.052 120.300 -0.221 0.000 2.545 470 Y HA 0.742 5.291 4.550 -0.002 0.000 0.348 470 Y C 0.715 176.531 175.900 -0.139 0.000 1.002 470 Y CA 0.023 58.047 58.100 -0.128 0.000 1.039 470 Y CB 2.974 41.349 38.460 -0.141 0.000 1.271 470 Y HN 1.145 nan 8.280 nan 0.000 0.467 471 G N 1.425 110.340 108.800 0.191 0.000 2.623 471 G HA2 0.710 4.669 3.960 -0.002 0.000 0.290 471 G HA3 0.710 4.669 3.960 -0.002 0.000 0.290 471 G C -2.350 172.637 174.900 0.145 0.000 1.437 471 G CA -0.824 44.305 45.100 0.049 0.000 0.798 471 G HN 0.528 nan 8.290 nan 0.000 0.488 472 L N -0.313 120.865 121.223 -0.076 0.000 2.424 472 L HA 0.700 5.039 4.340 -0.002 0.000 0.258 472 L C -1.041 175.779 176.870 -0.084 0.000 0.995 472 L CA -0.946 53.819 54.840 -0.124 0.000 0.821 472 L CB 2.706 44.538 42.059 -0.379 0.000 1.383 472 L HN 0.572 nan 8.230 nan 0.000 0.410 473 M N 0.343 119.940 119.600 -0.006 0.000 2.085 473 M HA 0.344 4.823 4.480 -0.002 0.000 0.309 473 M C 0.534 176.656 176.300 -0.297 0.000 0.947 473 M CA 0.092 55.354 55.300 -0.062 0.000 0.918 473 M CB 1.679 34.344 32.600 0.107 0.000 1.504 473 M HN 0.540 nan 8.290 nan 0.000 0.420 474 S N 3.417 118.782 115.700 -0.559 0.000 2.365 474 S HA -0.171 4.298 4.470 -0.002 0.000 0.225 474 S C 0.734 174.947 174.600 -0.646 0.000 1.039 474 S CA 2.003 59.811 58.200 -0.655 0.000 1.033 474 S CB -0.490 62.097 63.200 -1.022 0.000 0.887 474 S HN 0.811 nan 8.310 nan 0.000 0.447 475 Y N 0.691 120.660 120.300 -0.551 0.000 2.658 475 Y HA 0.605 5.154 4.550 -0.002 0.000 0.276 475 Y C 0.903 176.642 175.900 -0.268 0.000 1.167 475 Y CA -1.374 56.409 58.100 -0.529 0.000 1.230 475 Y CB -1.084 37.079 38.460 -0.494 0.000 1.144 475 Y HN 0.218 nan 8.280 nan 0.000 0.529 476 G N 1.540 110.362 108.800 0.037 0.000 2.796 476 G HA2 -0.359 3.600 3.960 -0.002 0.000 0.226 476 G HA3 -0.359 3.600 3.960 -0.002 0.000 0.226 476 G C 0.020 175.062 174.900 0.237 0.000 1.381 476 G CA 0.064 45.239 45.100 0.124 0.000 0.867 476 G HN 0.407 nan 8.290 nan 0.000 0.552 477 N N -0.361 118.464 118.700 0.208 0.000 2.270 477 N HA 0.391 5.130 4.740 -0.002 0.000 0.198 477 N C 0.234 175.940 175.510 0.327 0.000 1.117 477 N CA 1.156 54.342 53.050 0.228 0.000 0.845 477 N CB 0.375 38.903 38.487 0.068 0.000 0.980 477 N HN 0.867 nan 8.380 nan 0.000 0.486 478 S N -1.056 114.819 115.700 0.293 0.000 2.537 478 S HA 0.464 4.933 4.470 -0.002 0.000 0.270 478 S C -0.243 174.466 174.600 0.181 0.000 1.142 478 S CA -0.648 57.682 58.200 0.216 0.000 0.870 478 S CB 1.267 64.595 63.200 0.213 0.000 1.112 478 S HN 0.166 nan 8.310 nan 0.000 0.466 479 R N 1.079 121.595 120.500 0.026 0.000 2.535 479 R HA 0.264 4.602 4.340 -0.002 0.000 0.323 479 R C -0.234 175.965 176.300 -0.168 0.000 0.979 479 R CA -0.243 55.776 56.100 -0.136 0.000 1.120 479 R CB 0.377 30.581 30.300 -0.160 0.000 1.306 479 R HN 0.584 nan 8.270 nan 0.000 0.540 480 Q N 1.590 121.335 119.800 -0.091 0.000 2.337 480 Q HA 0.140 4.479 4.340 -0.002 0.000 0.270 480 Q C -2.301 173.643 176.000 -0.094 0.000 1.002 480 Q CA -1.758 53.993 55.803 -0.087 0.000 0.888 480 Q CB 0.705 29.412 28.738 -0.052 0.000 1.222 480 Q HN 0.019 nan 8.270 nan 0.000 0.400 481 P HA -0.069 nan 4.420 nan 0.000 0.260 481 P C 0.586 177.851 177.300 -0.059 0.000 1.172 481 P CA 1.158 64.208 63.100 -0.084 0.000 0.760 481 P CB 0.175 31.835 31.700 -0.067 0.000 0.773 482 G N 1.563 110.331 108.800 -0.054 0.000 2.176 482 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.253 482 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.253 482 G C 0.484 175.360 174.900 -0.039 0.000 0.979 482 G CA 0.235 45.312 45.100 -0.037 0.000 0.641 482 G HN 0.794 nan 8.290 nan 0.000 0.530 483 T N 0.649 115.181 114.554 -0.037 0.000 2.926 483 T HA 0.450 4.799 4.350 -0.002 0.000 0.307 483 T C 1.941 176.601 174.700 -0.067 0.000 1.059 483 T CA 1.370 63.444 62.100 -0.044 0.000 1.122 483 T CB 0.694 69.573 68.868 0.018 0.000 0.972 483 T HN 0.912 nan 8.240 nan 0.000 0.545 484 T N 1.119 115.540 114.554 -0.221 0.000 3.169 484 T HA 0.143 4.492 4.350 -0.002 0.000 0.250 484 T C 0.698 175.290 174.700 -0.180 0.000 1.111 484 T CA 0.425 62.388 62.100 -0.229 0.000 1.010 484 T CB -0.506 68.168 68.868 -0.322 0.000 0.984 484 T HN 0.840 nan 8.240 nan 0.000 0.537 485 H N -0.815 118.322 119.070 0.112 0.000 2.467 485 H HA 0.338 4.893 4.556 -0.002 0.000 0.275 485 H C 0.372 175.810 175.328 0.183 0.000 1.131 485 H CA -0.606 55.515 56.048 0.121 0.000 0.989 485 H CB 0.298 30.125 29.762 0.107 0.000 1.696 485 H HN 0.298 nan 8.280 nan 0.000 0.574 486 Y N 1.001 121.374 120.300 0.122 0.000 2.382 486 Y HA -0.004 4.545 4.550 -0.002 0.000 0.292 486 Y C 2.093 178.045 175.900 0.086 0.000 1.151 486 Y CA 1.109 59.267 58.100 0.095 0.000 1.198 486 Y CB 0.403 38.897 38.460 0.056 0.000 1.195 486 Y HN 0.155 nan 8.280 nan 0.000 0.530 487 S N -0.493 115.229 115.700 0.036 0.000 2.577 487 S HA 0.027 4.496 4.470 -0.002 0.000 0.219 487 S C 0.865 175.459 174.600 -0.011 0.000 0.962 487 S CA 0.259 58.421 58.200 -0.064 0.000 0.921 487 S CB -0.374 62.844 63.200 0.031 0.000 0.789 487 S HN 0.607 nan 8.310 nan 0.000 0.497 488 D N 1.187 121.611 120.400 0.040 0.000 2.340 488 D HA -0.012 4.627 4.640 -0.002 0.000 0.220 488 D C 1.282 177.596 176.300 0.024 0.000 1.039 488 D CA 0.279 54.314 54.000 0.058 0.000 0.866 488 D CB -0.189 40.691 40.800 0.134 0.000 0.913 488 D HN 0.533 nan 8.370 nan 0.000 0.523 489 Q N -0.796 118.993 119.800 -0.019 0.000 2.280 489 Q HA 0.207 4.545 4.340 -0.002 0.000 0.244 489 Q C 1.572 177.521 176.000 -0.084 0.000 0.847 489 Q CA -0.314 55.459 55.803 -0.051 0.000 0.945 489 Q CB 0.542 29.243 28.738 -0.062 0.000 1.115 489 Q HN 0.116 nan 8.270 nan 0.000 0.513 490 I N 1.877 122.396 120.570 -0.085 0.000 2.394 490 I HA -0.228 3.941 4.170 -0.002 0.000 0.251 490 I C 2.284 178.375 176.117 -0.042 0.000 1.136 490 I CA 1.414 62.670 61.300 -0.073 0.000 1.425 490 I CB 0.029 37.993 38.000 -0.061 0.000 1.079 490 I HN 0.159 nan 8.210 nan 0.000 0.425 491 E N 0.818 120.999 120.200 -0.032 0.000 2.077 491 E HA -0.240 4.109 4.350 -0.002 0.000 0.193 491 E C 2.375 178.951 176.600 -0.039 0.000 0.989 491 E CA 1.207 57.593 56.400 -0.022 0.000 0.800 491 E CB -0.081 29.613 29.700 -0.009 0.000 0.746 491 E HN 0.490 nan 8.360 nan 0.000 0.452 492 R N 0.005 120.470 120.500 -0.059 0.000 2.105 492 R HA -0.113 4.226 4.340 -0.002 0.000 0.239 492 R C 2.545 178.752 176.300 -0.156 0.000 1.135 492 R CA 1.340 57.382 56.100 -0.096 0.000 0.967 492 R CB -0.334 29.904 30.300 -0.104 0.000 0.861 492 R HN 0.078 nan 8.270 nan 0.000 0.442 493 V N 1.190 121.011 119.914 -0.155 0.000 2.332 493 V HA -0.272 3.847 4.120 -0.002 0.000 0.248 493 V C 2.445 178.505 176.094 -0.058 0.000 1.055 493 V CA 2.211 64.422 62.300 -0.150 0.000 1.038 493 V CB -0.563 31.220 31.823 -0.067 0.000 0.651 493 V HN 0.490 nan 8.190 nan 0.000 0.450 494 S N 0.292 115.972 115.700 -0.034 0.000 2.442 494 S HA -0.170 4.299 4.470 -0.002 0.000 0.236 494 S C 1.821 176.427 174.600 0.010 0.000 1.007 494 S CA 1.174 59.369 58.200 -0.008 0.000 0.965 494 S CB -0.370 62.826 63.200 -0.007 0.000 0.773 494 S HN 0.647 nan 8.310 nan 0.000 0.504 495 R N 0.638 121.132 120.500 -0.011 0.000 2.432 495 R HA 0.505 4.844 4.340 -0.002 0.000 0.260 495 R C 0.768 177.073 176.300 0.008 0.000 0.935 495 R CA 0.373 56.477 56.100 0.007 0.000 1.080 495 R CB 0.109 30.409 30.300 -0.001 0.000 1.155 495 R HN 0.437 nan 8.270 nan 0.000 0.531 496 A N 2.231 125.035 122.820 -0.028 0.000 2.704 496 A HA -0.205 4.114 4.320 -0.002 0.000 0.299 496 A C -0.276 177.298 177.584 -0.016 0.000 1.507 496 A CA 1.139 53.158 52.037 -0.031 0.000 0.776 496 A CB -1.556 17.546 19.000 0.170 0.000 1.027 496 A HN 0.389 nan 8.150 nan 0.000 0.475 497 D N -0.198 120.118 120.400 -0.139 0.000 2.485 497 D HA 0.546 5.185 4.640 -0.002 0.000 0.221 497 D C -0.209 176.036 176.300 -0.093 0.000 1.112 497 D CA -0.233 53.742 54.000 -0.042 0.000 0.911 497 D CB -0.315 40.468 40.800 -0.028 0.000 1.019 497 D HN 0.229 nan 8.370 nan 0.000 0.516 498 F N 1.924 121.864 119.950 -0.017 0.000 2.418 498 F HA 0.335 4.860 4.527 -0.002 0.000 0.341 498 F C 1.666 177.537 175.800 0.119 0.000 1.120 498 F CA -0.358 57.657 58.000 0.024 0.000 1.232 498 F CB 0.791 39.792 39.000 0.002 0.000 1.175 498 F HN -0.037 nan 8.300 nan 0.000 0.569 499 R N 1.439 122.095 120.500 0.259 0.000 2.490 499 R HA 0.119 4.458 4.340 -0.002 0.000 0.280 499 R C -0.133 176.308 176.300 0.236 0.000 1.077 499 R CA -0.586 55.639 56.100 0.209 0.000 1.065 499 R CB 0.514 30.892 30.300 0.129 0.000 1.003 499 R HN 0.625 nan 8.270 nan 0.000 0.470 500 E N 3.290 123.554 120.200 0.108 0.000 2.324 500 E HA 0.023 4.372 4.350 -0.002 0.000 0.271 500 E C -0.595 175.899 176.600 -0.177 0.000 1.028 500 E CA -0.232 56.015 56.400 -0.255 0.000 0.890 500 E CB 0.573 30.136 29.700 -0.228 0.000 1.004 500 E HN 0.330 nan 8.360 nan 0.000 0.431 501 L N 5.919 126.980 121.223 -0.270 0.000 2.331 501 L HA 0.222 4.561 4.340 -0.002 0.000 0.278 501 L C -0.156 176.531 176.870 -0.305 0.000 1.106 501 L CA -0.390 54.304 54.840 -0.242 0.000 0.824 501 L CB 0.458 42.341 42.059 -0.293 0.000 1.142 501 L HN 0.463 nan 8.230 nan 0.000 0.443 502 L N 5.164 126.256 121.223 -0.218 0.000 2.277 502 L HA 0.219 4.558 4.340 -0.002 0.000 0.284 502 L C 0.331 177.130 176.870 -0.118 0.000 1.028 502 L CA -0.330 54.442 54.840 -0.113 0.000 0.835 502 L CB 1.424 43.487 42.059 0.007 0.000 1.215 502 L HN 0.614 nan 8.230 nan 0.000 0.425 503 L N 2.228 123.363 121.223 -0.147 0.000 2.537 503 L HA 0.259 4.598 4.340 -0.002 0.000 0.224 503 L C 1.103 178.050 176.870 0.129 0.000 1.065 503 L CA 0.488 55.267 54.840 -0.103 0.000 0.860 503 L CB 0.000 41.953 42.059 -0.177 0.000 1.086 503 L HN 0.445 nan 8.230 nan 0.000 0.482 504 R N -0.087 120.448 120.500 0.059 0.000 2.390 504 R HA 0.132 4.471 4.340 -0.002 0.000 0.291 504 R C 0.963 177.309 176.300 0.077 0.000 1.070 504 R CA -0.454 55.685 56.100 0.065 0.000 1.014 504 R CB 1.019 31.335 30.300 0.027 0.000 1.007 504 R HN -0.115 nan 8.270 nan 0.000 0.466 505 R N 2.979 123.519 120.500 0.067 0.000 2.113 505 R HA -0.248 4.091 4.340 -0.002 0.000 0.244 505 R C 1.853 178.176 176.300 0.039 0.000 1.142 505 R CA 2.505 58.634 56.100 0.048 0.000 0.953 505 R CB -0.285 30.030 30.300 0.025 0.000 0.860 505 R HN 0.841 nan 8.270 nan 0.000 0.438 506 E N -0.060 120.158 120.200 0.030 0.000 2.110 506 E HA -0.280 4.069 4.350 -0.002 0.000 0.193 506 E C 1.815 178.431 176.600 0.025 0.000 0.988 506 E CA 1.478 57.892 56.400 0.023 0.000 0.804 506 E CB -0.330 29.381 29.700 0.017 0.000 0.745 506 E HN 0.584 nan 8.360 nan 0.000 0.458 507 Q N 0.684 120.500 119.800 0.028 0.000 2.079 507 Q HA -0.076 4.263 4.340 -0.002 0.000 0.200 507 Q C 2.508 178.532 176.000 0.040 0.000 0.974 507 Q CA 1.593 57.410 55.803 0.025 0.000 0.840 507 Q CB 0.061 28.806 28.738 0.011 0.000 0.898 507 Q HN 0.194 nan 8.270 nan 0.000 0.430 508 V N 1.439 121.389 119.914 0.060 0.000 2.343 508 V HA -0.251 3.868 4.120 -0.002 0.000 0.247 508 V C 1.882 178.007 176.094 0.051 0.000 1.051 508 V CA 1.892 64.237 62.300 0.074 0.000 1.036 508 V CB -0.500 31.384 31.823 0.101 0.000 0.654 508 V HN 0.352 nan 8.190 nan 0.000 0.451 509 E N 0.205 120.428 120.200 0.039 0.000 2.153 509 E HA -0.157 4.192 4.350 -0.002 0.000 0.194 509 E C 2.254 178.871 176.600 0.028 0.000 0.988 509 E CA 1.192 57.610 56.400 0.030 0.000 0.811 509 E CB -0.243 29.471 29.700 0.022 0.000 0.746 509 E HN 0.622 nan 8.360 nan 0.000 0.466 510 A N 0.934 123.771 122.820 0.028 0.000 2.016 510 A HA 0.105 4.424 4.320 -0.002 0.000 0.217 510 A C 2.177 179.779 177.584 0.031 0.000 1.162 510 A CA 1.182 53.235 52.037 0.027 0.000 0.662 510 A CB -0.036 18.978 19.000 0.023 0.000 0.812 510 A HN 0.241 nan 8.150 nan 0.000 0.450 511 A N -0.852 121.990 122.820 0.036 0.000 2.238 511 A HA 0.430 4.749 4.320 -0.002 0.000 0.210 511 A C 0.907 178.516 177.584 0.041 0.000 1.179 511 A CA 0.211 52.271 52.037 0.039 0.000 0.827 511 A CB -0.469 18.557 19.000 0.043 0.000 0.856 511 A HN 0.487 nan 8.150 nan 0.000 0.488 512 V N 0.866 120.804 119.914 0.040 0.000 2.599 512 V HA 0.049 4.168 4.120 -0.002 0.000 0.300 512 V C 0.590 176.709 176.094 0.042 0.000 1.034 512 V CA 0.510 62.835 62.300 0.041 0.000 1.115 512 V CB 0.918 32.764 31.823 0.038 0.000 0.934 512 V HN 0.590 nan 8.190 nan 0.000 0.485 513 Q N 4.442 124.271 119.800 0.048 0.000 2.214 513 Q HA 0.355 4.694 4.340 -0.002 0.000 0.229 513 Q C 0.162 176.197 176.000 0.059 0.000 0.835 513 Q CA 0.197 56.033 55.803 0.055 0.000 0.953 513 Q CB 1.211 29.990 28.738 0.069 0.000 1.131 513 Q HN 0.908 nan 8.270 nan 0.000 0.501 514 E N 0.242 120.476 120.200 0.057 0.000 2.354 514 E HA 0.394 4.743 4.350 -0.002 0.000 0.283 514 E C -1.504 175.129 176.600 0.055 0.000 0.938 514 E CA -0.407 56.028 56.400 0.058 0.000 0.777 514 E CB 1.985 31.728 29.700 0.071 0.000 1.222 514 E HN -0.094 nan 8.360 nan 0.000 0.423 515 R N 2.514 123.046 120.500 0.053 0.000 2.476 515 R HA 0.442 4.781 4.340 -0.002 0.000 0.305 515 R C -1.476 174.863 176.300 0.066 0.000 0.965 515 R CA -0.325 55.809 56.100 0.055 0.000 0.867 515 R CB 1.756 32.081 30.300 0.041 0.000 1.176 515 R HN 0.431 nan 8.270 nan 0.000 0.447 516 T N 6.731 121.341 114.554 0.093 0.000 2.963 516 T HA 0.301 4.650 4.350 -0.002 0.000 0.343 516 T C -2.214 172.590 174.700 0.173 0.000 1.146 516 T CA -1.186 60.986 62.100 0.121 0.000 1.016 516 T CB 1.090 70.034 68.868 0.126 0.000 1.046 516 T HN 0.493 nan 8.240 nan 0.000 0.496 517 P HA 0.433 nan 4.420 nan 0.000 0.271 517 P C -0.802 176.599 177.300 0.169 0.000 1.218 517 P CA -0.410 62.726 63.100 0.060 0.000 0.780 517 P CB 0.485 32.191 31.700 0.010 0.000 0.901 518 F N -0.500 119.462 119.950 0.020 0.000 2.664 518 F HA 0.686 5.211 4.527 -0.002 0.000 0.317 518 F C -1.127 174.701 175.800 0.046 0.000 1.108 518 F CA -1.094 56.925 58.000 0.032 0.000 0.957 518 F CB 1.806 40.823 39.000 0.030 0.000 1.365 518 F HN 0.375 nan 8.300 nan 0.000 0.475 519 N N 0.948 119.810 118.700 0.269 0.000 2.371 519 N HA 0.314 5.053 4.740 -0.002 0.000 0.280 519 N C -2.425 173.288 175.510 0.337 0.000 1.084 519 N CA -0.419 52.742 53.050 0.185 0.000 0.892 519 N CB 2.311 40.823 38.487 0.042 0.000 1.653 519 N HN 0.914 nan 8.380 nan 0.000 0.480 520 F N 1.350 121.394 119.950 0.156 0.000 2.436 520 F HA 0.565 5.091 4.527 -0.002 0.000 0.340 520 F C -0.522 175.317 175.800 0.065 0.000 1.113 520 F CA -0.750 57.324 58.000 0.124 0.000 1.022 520 F CB 1.358 40.449 39.000 0.151 0.000 1.128 520 F HN 0.528 nan 8.300 nan 0.000 0.466 521 K N 7.733 127.830 120.400 -0.504 0.000 2.656 521 K HA 0.455 4.774 4.320 -0.002 0.000 0.241 521 K C -2.499 173.705 176.600 -0.661 0.000 0.967 521 K CA -1.748 54.210 56.287 -0.548 0.000 0.946 521 K CB 0.723 33.097 32.500 -0.209 0.000 1.164 521 K HN 0.372 nan 8.250 nan 0.000 0.459 522 P HA 0.000 nan 4.420 nan 0.000 0.216 522 P CA 0.000 62.844 63.100 -0.427 0.000 0.800 522 P CB 0.000 31.540 31.700 -0.267 0.000 0.726