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 1ecc_1_A DATA FIRST_RESID 1 DATA SEQUENCE CGIVGIAGVM PVNQSIYDAL TVLQHRGQDA AGIITIDANN CFRLRKANGL DATA SEQUENCE VSDVFEARHM QRLQGNMGIG HVRYPTAGSS SASEAQPFYV NSPYGITLAH DATA SEQUENCE NGNLTNAHEL RKKLFEEKRR HINTTSDSEI LLNIFASELD NFRHYPLEAD DATA SEQUENCE NIFAAIAATN RLIRGAYACV AMIIGHGMVA FRDPNGIRPL VLGKRDIDEN DATA SEQUENCE RTEYMVASES VALDTLGFDF LRDVAPGEAI YITEEGQLFT RQCADNPVSN DATA SEQUENCE PCLFEYVYFA RPDSFIDKIS VYSARVNMGT KLGEKIAREW EDLDIDVVIP DATA SEQUENCE IPETSCDIAL EIARILGKPY RQGFVKNRYV GRTFIMPGQQ LRRKSVRRKL DATA SEQUENCE NANRAEFRDK NVLLVDDSIV RGTTSEQIIE MAREAGAKKV YLASAAPEIR DATA SEQUENCE FPNVYGIDMP SATELIAHGR EVDEIRQIIG ADGLIFQDLN DLIDAVRAEN DATA SEQUENCE PDIQQFECSV FNGVYVTKDV DQGYLDFLDT LRNDDAKAVQ RQ 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 0.000 174.986 174.990 -0.006 0.000 1.270 1 C CA 0.000 59.071 59.018 0.088 0.000 1.963 1 C CB 0.000 27.765 27.740 0.041 0.000 2.134 2 G N 0.875 109.541 108.800 -0.224 0.000 2.662 2 G HA2 0.806 4.766 3.960 -0.000 0.000 0.302 2 G HA3 0.806 4.766 3.960 -0.000 0.000 0.302 2 G C -1.233 173.567 174.900 -0.167 0.000 1.389 2 G CA -0.468 44.538 45.100 -0.157 0.000 0.998 2 G HN 1.093 nan 8.290 nan 0.000 0.502 3 I N -0.339 120.209 120.570 -0.036 0.000 2.646 3 I HA 0.893 5.063 4.170 -0.000 0.000 0.299 3 I C -0.962 175.162 176.117 0.011 0.000 1.036 3 I CA -1.417 59.903 61.300 0.034 0.000 1.074 3 I CB 2.320 40.385 38.000 0.107 0.000 1.258 3 I HN 0.457 nan 8.210 nan 0.000 0.430 4 V N 3.086 123.009 119.914 0.015 0.000 3.078 4 V HA 1.003 5.122 4.120 -0.000 0.000 0.311 4 V C -0.619 175.481 176.094 0.009 0.000 1.138 4 V CA -0.020 62.275 62.300 -0.009 0.000 1.007 4 V CB 2.161 33.962 31.823 -0.036 0.000 1.045 4 V HN 1.193 nan 8.190 nan 0.000 0.432 5 G N 4.944 113.742 108.800 -0.005 0.000 2.734 5 G HA2 0.654 4.614 3.960 -0.000 0.000 0.293 5 G HA3 0.654 4.614 3.960 -0.000 0.000 0.293 5 G C -1.746 173.157 174.900 0.006 0.000 1.422 5 G CA -0.440 44.678 45.100 0.029 0.000 1.177 5 G HN 0.807 nan 8.290 nan 0.000 0.565 6 I N 1.512 122.099 120.570 0.029 0.000 2.466 6 I HA 0.602 4.772 4.170 -0.000 0.000 0.289 6 I C 0.127 176.310 176.117 0.111 0.000 1.026 6 I CA -1.074 60.248 61.300 0.036 0.000 1.078 6 I CB 2.428 40.435 38.000 0.012 0.000 1.249 6 I HN 0.599 nan 8.210 nan 0.000 0.429 7 A N 4.971 127.887 122.820 0.161 0.000 2.328 7 A HA 0.854 5.174 4.320 -0.000 0.000 0.318 7 A C -0.020 177.678 177.584 0.190 0.000 1.347 7 A CA -0.315 51.825 52.037 0.171 0.000 0.842 7 A CB 0.624 19.735 19.000 0.185 0.000 1.148 7 A HN 0.885 nan 8.150 nan 0.000 0.499 8 G N -0.434 108.454 108.800 0.147 0.000 3.086 8 G HA2 0.532 4.492 3.960 -0.000 0.000 0.282 8 G HA3 0.532 4.492 3.960 -0.000 0.000 0.282 8 G C 0.374 175.316 174.900 0.069 0.000 1.343 8 G CA 0.243 45.415 45.100 0.120 0.000 0.895 8 G HN 1.174 nan 8.290 nan 0.000 0.557 9 V N -2.906 117.031 119.914 0.039 0.000 3.643 9 V HA 0.439 4.559 4.120 -0.000 0.000 0.280 9 V C 0.497 176.604 176.094 0.022 0.000 1.351 9 V CA 0.118 62.431 62.300 0.021 0.000 1.073 9 V CB -0.111 31.710 31.823 -0.003 0.000 0.863 9 V HN 0.352 nan 8.190 nan 0.000 0.436 10 M N 0.578 120.198 119.600 0.033 0.000 2.654 10 M HA 0.640 5.120 4.480 -0.000 0.000 0.310 10 M C -2.912 173.415 176.300 0.045 0.000 1.211 10 M CA -3.016 52.303 55.300 0.031 0.000 0.947 10 M CB 0.657 33.273 32.600 0.028 0.000 1.647 10 M HN -0.143 nan 8.290 nan 0.000 0.481 11 P HA 0.055 nan 4.420 nan 0.000 0.267 11 P C 0.824 178.153 177.300 0.049 0.000 1.205 11 P CA -0.078 63.046 63.100 0.040 0.000 0.765 11 P CB 0.279 31.997 31.700 0.028 0.000 0.828 12 V N 0.698 120.644 119.914 0.054 0.000 3.506 12 V HA -0.048 4.071 4.120 -0.000 0.000 0.263 12 V C 1.701 177.816 176.094 0.035 0.000 1.203 12 V CA 0.888 63.223 62.300 0.058 0.000 1.133 12 V CB -1.341 30.521 31.823 0.065 0.000 0.802 12 V HN 0.389 nan 8.190 nan 0.000 0.459 13 N N 2.275 120.987 118.700 0.020 0.000 2.037 13 N HA -0.338 4.402 4.740 -0.000 0.000 0.196 13 N C 1.733 177.243 175.510 -0.000 0.000 1.034 13 N CA 2.478 55.523 53.050 -0.009 0.000 0.861 13 N CB -0.871 37.611 38.487 -0.009 0.000 1.039 13 N HN 0.567 nan 8.380 nan 0.000 0.427 14 Q N 0.421 120.229 119.800 0.014 0.000 2.079 14 Q HA 0.065 4.405 4.340 -0.000 0.000 0.200 14 Q C 1.950 178.003 176.000 0.088 0.000 0.974 14 Q CA 1.900 57.720 55.803 0.027 0.000 0.840 14 Q CB -0.490 28.248 28.738 0.000 0.000 0.898 14 Q HN 0.496 nan 8.270 nan 0.000 0.430 15 S N 0.049 115.791 115.700 0.070 0.000 2.368 15 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 15 S C 1.888 176.518 174.600 0.051 0.000 1.030 15 S CA 1.369 59.616 58.200 0.079 0.000 0.999 15 S CB -0.338 62.920 63.200 0.096 0.000 0.844 15 S HN 0.411 nan 8.310 nan 0.000 0.459 16 I N 0.066 120.649 120.570 0.022 0.000 2.315 16 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 16 I C 2.313 178.403 176.117 -0.044 0.000 1.117 16 I CA 1.301 62.585 61.300 -0.027 0.000 1.404 16 I CB -0.387 37.580 38.000 -0.054 0.000 1.071 16 I HN 0.263 nan 8.210 nan 0.000 0.419 17 Y N 2.235 122.445 120.300 -0.151 0.000 2.097 17 Y HA -0.320 4.230 4.550 -0.000 0.000 0.282 17 Y C 2.255 178.134 175.900 -0.036 0.000 1.152 17 Y CA 1.871 59.883 58.100 -0.146 0.000 1.136 17 Y CB -0.349 38.034 38.460 -0.129 0.000 0.975 17 Y HN 0.202 nan 8.280 nan 0.000 0.498 18 D N 0.045 120.583 120.400 0.230 0.000 2.218 18 D HA -0.158 4.482 4.640 -0.000 0.000 0.204 18 D C 2.174 178.493 176.300 0.031 0.000 0.976 18 D CA 1.291 55.385 54.000 0.156 0.000 0.853 18 D CB -0.366 40.527 40.800 0.155 0.000 0.939 18 D HN 0.523 nan 8.370 nan 0.000 0.481 19 A N 0.908 123.730 122.820 0.002 0.000 1.897 19 A HA -0.042 4.278 4.320 -0.000 0.000 0.215 19 A C 2.365 179.916 177.584 -0.055 0.000 1.181 19 A CA 0.502 52.526 52.037 -0.022 0.000 0.620 19 A CB -0.640 18.338 19.000 -0.036 0.000 0.821 19 A HN 0.150 nan 8.150 nan 0.000 0.443 20 L N -0.490 120.673 121.223 -0.100 0.000 2.191 20 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 20 L C 2.654 179.443 176.870 -0.135 0.000 1.103 20 L CA 1.606 56.373 54.840 -0.121 0.000 0.769 20 L CB -0.815 41.169 42.059 -0.126 0.000 0.908 20 L HN 0.355 nan 8.230 nan 0.000 0.438 21 T N -0.174 114.281 114.554 -0.165 0.000 2.737 21 T HA -0.130 4.220 4.350 -0.000 0.000 0.265 21 T C 1.827 176.505 174.700 -0.037 0.000 1.038 21 T CA 1.643 63.668 62.100 -0.125 0.000 1.144 21 T CB -0.173 68.631 68.868 -0.106 0.000 0.866 21 T HN 0.351 nan 8.240 nan 0.000 0.434 22 V N -0.439 119.468 119.914 -0.011 0.000 3.217 22 V HA 0.238 4.358 4.120 -0.000 0.000 0.264 22 V C 1.645 177.806 176.094 0.112 0.000 1.135 22 V CA 1.145 63.462 62.300 0.029 0.000 1.142 22 V CB -0.910 30.925 31.823 0.020 0.000 0.754 22 V HN 0.412 nan 8.190 nan 0.000 0.484 23 L N -0.271 120.969 121.223 0.028 0.000 2.728 23 L HA 0.265 4.605 4.340 -0.000 0.000 0.238 23 L C 2.180 178.900 176.870 -0.250 0.000 1.143 23 L CA 0.178 54.964 54.840 -0.090 0.000 0.937 23 L CB 0.031 42.015 42.059 -0.125 0.000 1.225 23 L HN 0.328 nan 8.230 nan 0.000 0.507 24 Q N 0.948 120.698 119.800 -0.083 0.000 2.297 24 Q HA -0.227 4.113 4.340 -0.000 0.000 0.208 24 Q C 2.140 178.046 176.000 -0.157 0.000 0.981 24 Q CA 1.667 57.402 55.803 -0.112 0.000 0.876 24 Q CB -0.148 28.555 28.738 -0.058 0.000 0.921 24 Q HN 0.648 nan 8.270 nan 0.000 0.446 25 H N -1.484 117.455 119.070 -0.218 0.000 2.559 25 H HA 0.091 4.646 4.556 -0.000 0.000 0.273 25 H C 0.747 175.790 175.328 -0.474 0.000 1.000 25 H CA 0.862 56.723 56.048 -0.311 0.000 1.195 25 H CB 0.009 29.562 29.762 -0.347 0.000 1.368 25 H HN 0.307 nan 8.280 nan 0.000 0.592 26 R N 0.532 120.527 120.500 -0.841 0.000 2.334 26 R HA 0.264 4.604 4.340 -0.000 0.000 0.216 26 R C 0.146 176.341 176.300 -0.175 0.000 0.905 26 R CA 0.499 56.186 56.100 -0.689 0.000 1.064 26 R CB 1.034 31.047 30.300 -0.479 0.000 1.046 26 R HN 0.361 nan 8.270 nan 0.000 0.508 27 G N 0.953 109.647 108.800 -0.177 0.000 1.974 27 G HA2 0.020 3.980 3.960 -0.000 0.000 0.303 27 G HA3 0.020 3.980 3.960 -0.000 0.000 0.303 27 G C -0.345 174.526 174.900 -0.047 0.000 2.080 27 G CA -0.611 44.476 45.100 -0.021 0.000 0.896 27 G HN 0.051 nan 8.290 nan 0.000 0.514 28 Q N 0.782 120.567 119.800 -0.025 0.000 2.392 28 Q HA 0.081 4.421 4.340 -0.000 0.000 0.203 28 Q C 1.062 177.063 176.000 0.002 0.000 0.917 28 Q CA 0.473 56.263 55.803 -0.023 0.000 0.939 28 Q CB 0.641 29.366 28.738 -0.021 0.000 1.063 28 Q HN 0.511 nan 8.270 nan 0.000 0.516 29 D N 0.840 121.262 120.400 0.036 0.000 2.194 29 D HA 0.072 4.712 4.640 -0.000 0.000 0.204 29 D C 0.164 176.470 176.300 0.010 0.000 0.964 29 D CA 0.868 54.891 54.000 0.038 0.000 0.846 29 D CB 0.388 41.236 40.800 0.080 0.000 0.962 29 D HN 0.256 nan 8.370 nan 0.000 0.490 30 A N -0.860 121.964 122.820 0.007 0.000 2.610 30 A HA 0.815 5.135 4.320 -0.000 0.000 0.291 30 A C -1.689 175.886 177.584 -0.014 0.000 1.086 30 A CA -0.188 51.838 52.037 -0.019 0.000 0.677 30 A CB 1.341 20.345 19.000 0.007 0.000 1.278 30 A HN 0.100 nan 8.150 nan 0.000 0.414 31 A N -0.599 122.193 122.820 -0.046 0.000 2.549 31 A HA 0.938 5.258 4.320 -0.000 0.000 0.297 31 A C -0.271 177.374 177.584 0.101 0.000 1.061 31 A CA -0.040 52.018 52.037 0.036 0.000 0.690 31 A CB 1.647 20.655 19.000 0.015 0.000 1.287 31 A HN 2.462 nan 8.150 nan 0.000 0.402 32 G N 0.052 109.027 108.800 0.291 0.000 2.719 32 G HA2 0.630 4.590 3.960 -0.000 0.000 0.298 32 G HA3 0.630 4.590 3.960 -0.000 0.000 0.298 32 G C -1.539 173.529 174.900 0.281 0.000 1.411 32 G CA -0.383 44.890 45.100 0.289 0.000 0.991 32 G HN 0.726 nan 8.290 nan 0.000 0.509 33 I N 1.691 122.396 120.570 0.226 0.000 2.607 33 I HA 0.518 4.688 4.170 -0.000 0.000 0.290 33 I C -1.082 175.067 176.117 0.053 0.000 1.129 33 I CA -0.790 60.531 61.300 0.036 0.000 1.042 33 I CB 2.504 40.367 38.000 -0.229 0.000 1.242 33 I HN 0.430 nan 8.210 nan 0.000 0.421 34 I N 5.602 126.194 120.570 0.036 0.000 2.569 34 I HA 0.538 4.708 4.170 -0.000 0.000 0.290 34 I C -0.447 175.734 176.117 0.108 0.000 1.088 34 I CA 0.087 61.413 61.300 0.045 0.000 1.047 34 I CB 2.058 40.028 38.000 -0.049 0.000 1.237 34 I HN 0.736 nan 8.210 nan 0.000 0.421 35 T N 4.756 119.407 114.554 0.161 0.000 2.883 35 T HA 0.655 5.004 4.350 -0.000 0.000 0.284 35 T C -0.446 174.425 174.700 0.285 0.000 1.041 35 T CA -0.810 61.404 62.100 0.190 0.000 1.007 35 T CB 1.846 70.783 68.868 0.115 0.000 1.220 35 T HN 0.387 nan 8.240 nan 0.000 0.552 36 I N 2.437 123.126 120.570 0.198 0.000 2.410 36 I HA 0.321 4.491 4.170 -0.000 0.000 0.286 36 I C -0.391 175.757 176.117 0.051 0.000 1.009 36 I CA -0.952 60.406 61.300 0.097 0.000 1.111 36 I CB 1.552 39.586 38.000 0.056 0.000 1.262 36 I HN 0.808 nan 8.210 nan 0.000 0.443 37 D N 5.559 125.973 120.400 0.024 0.000 2.411 37 D HA 0.209 4.849 4.640 -0.000 0.000 0.251 37 D C 1.100 177.402 176.300 0.004 0.000 1.201 37 D CA -0.613 53.400 54.000 0.021 0.000 0.996 37 D CB 1.124 41.937 40.800 0.022 0.000 1.101 37 D HN 0.499 nan 8.370 nan 0.000 0.504 38 A N 0.266 123.090 122.820 0.008 0.000 2.131 38 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 38 A C 1.420 179.000 177.584 -0.006 0.000 1.158 38 A CA 0.954 52.992 52.037 0.003 0.000 0.665 38 A CB -0.722 18.282 19.000 0.006 0.000 0.795 38 A HN 0.570 nan 8.150 nan 0.000 0.460 39 N N -0.118 118.576 118.700 -0.010 0.000 2.383 39 N HA -0.028 4.712 4.740 -0.000 0.000 0.192 39 N C -0.182 175.307 175.510 -0.034 0.000 1.141 39 N CA 0.516 53.557 53.050 -0.015 0.000 0.851 39 N CB -0.366 38.116 38.487 -0.009 0.000 0.976 39 N HN 0.565 nan 8.380 nan 0.000 0.465 40 N N -0.676 117.993 118.700 -0.051 0.000 2.754 40 N HA -0.160 4.580 4.740 -0.000 0.000 0.248 40 N C -1.331 174.074 175.510 -0.175 0.000 1.093 40 N CA 0.474 53.464 53.050 -0.099 0.000 0.699 40 N CB -1.320 37.126 38.487 -0.068 0.000 1.016 40 N HN 0.233 nan 8.380 nan 0.000 0.552 41 C N 0.283 119.492 119.300 -0.151 0.000 2.493 41 C HA 0.588 5.048 4.460 -0.000 0.000 0.326 41 C C 0.279 175.186 174.990 -0.137 0.000 1.200 41 C CA -0.841 58.086 59.018 -0.151 0.000 1.739 41 C CB 0.315 28.031 27.740 -0.040 0.000 2.300 41 C HN 0.233 nan 8.230 nan 0.000 0.500 42 F N 2.891 122.834 119.950 -0.012 0.000 2.412 42 F HA 0.462 4.989 4.527 -0.000 0.000 0.348 42 F C 0.985 176.757 175.800 -0.046 0.000 1.102 42 F CA 0.026 58.001 58.000 -0.042 0.000 1.196 42 F CB 0.553 39.461 39.000 -0.153 0.000 1.144 42 F HN 0.249 nan 8.300 nan 0.000 0.541 43 R N 4.124 124.754 120.500 0.217 0.000 2.388 43 R HA 0.483 4.823 4.340 -0.000 0.000 0.314 43 R C -1.346 175.016 176.300 0.103 0.000 0.959 43 R CA -0.854 55.319 56.100 0.122 0.000 0.851 43 R CB 1.739 32.101 30.300 0.104 0.000 1.168 43 R HN 0.602 nan 8.270 nan 0.000 0.472 44 L N 2.269 123.532 121.223 0.067 0.000 2.333 44 L HA 0.696 5.036 4.340 -0.000 0.000 0.269 44 L C -0.816 176.104 176.870 0.083 0.000 1.010 44 L CA -0.580 54.288 54.840 0.047 0.000 0.818 44 L CB 1.513 43.560 42.059 -0.020 0.000 1.306 44 L HN 0.463 nan 8.230 nan 0.000 0.430 45 R N 3.130 123.700 120.500 0.118 0.000 2.695 45 R HA 0.474 4.814 4.340 -0.000 0.000 0.288 45 R C -2.012 174.385 176.300 0.163 0.000 1.344 45 R CA -0.587 55.601 56.100 0.147 0.000 1.005 45 R CB 0.625 31.086 30.300 0.270 0.000 1.233 45 R HN 0.735 nan 8.270 nan 0.000 0.442 46 K N 2.383 122.782 120.400 -0.002 0.000 2.498 46 K HA 0.952 5.272 4.320 -0.000 0.000 0.254 46 K C -1.605 174.914 176.600 -0.135 0.000 0.933 46 K CA -0.871 55.382 56.287 -0.057 0.000 0.806 46 K CB 2.345 34.814 32.500 -0.052 0.000 1.301 46 K HN 0.478 nan 8.250 nan 0.000 0.432 47 A N 2.007 124.717 122.820 -0.183 0.000 2.586 47 A HA 0.370 4.690 4.320 -0.000 0.000 0.291 47 A C -1.632 175.866 177.584 -0.143 0.000 1.062 47 A CA -1.103 50.841 52.037 -0.155 0.000 0.666 47 A CB 0.978 19.869 19.000 -0.182 0.000 1.281 47 A HN 0.878 nan 8.150 nan 0.000 0.421 48 N N -0.160 118.484 118.700 -0.094 0.000 2.492 48 N HA 0.464 5.204 4.740 -0.000 0.000 0.262 48 N C 0.305 175.763 175.510 -0.087 0.000 1.202 48 N CA 1.649 54.659 53.050 -0.067 0.000 0.926 48 N CB 0.678 39.143 38.487 -0.037 0.000 1.078 48 N HN 1.536 nan 8.380 nan 0.000 0.454 49 G N 0.392 109.149 108.800 -0.072 0.000 2.354 49 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.582 49 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.582 49 G C -0.874 173.975 174.900 -0.084 0.000 1.316 49 G CA -1.044 44.013 45.100 -0.072 0.000 0.995 49 G HN 0.391 nan 8.290 nan 0.000 0.573 50 L N 0.005 121.191 121.223 -0.062 0.000 2.476 50 L HA 0.278 4.618 4.340 -0.000 0.000 0.255 50 L C 2.276 179.094 176.870 -0.086 0.000 1.218 50 L CA -0.657 54.151 54.840 -0.055 0.000 0.819 50 L CB 0.400 42.449 42.059 -0.018 0.000 1.119 50 L HN 0.452 nan 8.230 nan 0.000 0.485 51 V N -0.014 119.861 119.914 -0.065 0.000 2.343 51 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 51 V C 2.385 178.519 176.094 0.067 0.000 1.051 51 V CA 2.179 64.455 62.300 -0.040 0.000 1.036 51 V CB -0.703 30.994 31.823 -0.210 0.000 0.654 51 V HN 1.044 nan 8.190 nan 0.000 0.451 52 S N -0.054 115.698 115.700 0.087 0.000 2.399 52 S HA -0.209 4.261 4.470 -0.000 0.000 0.231 52 S C 1.528 176.227 174.600 0.164 0.000 1.022 52 S CA 1.554 59.891 58.200 0.229 0.000 0.983 52 S CB -0.398 62.906 63.200 0.173 0.000 0.803 52 S HN 0.630 nan 8.310 nan 0.000 0.480 53 D N 1.342 121.773 120.400 0.052 0.000 2.201 53 D HA 0.105 4.745 4.640 -0.000 0.000 0.209 53 D C 2.189 178.450 176.300 -0.064 0.000 0.961 53 D CA 0.703 54.710 54.000 0.011 0.000 0.861 53 D CB -0.494 40.293 40.800 -0.021 0.000 0.997 53 D HN 0.324 nan 8.370 nan 0.000 0.486 54 V N 0.657 120.428 119.914 -0.239 0.000 2.358 54 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 54 V C 0.518 176.224 176.094 -0.647 0.000 1.047 54 V CA 1.122 63.083 62.300 -0.565 0.000 1.035 54 V CB -0.394 30.870 31.823 -0.932 0.000 0.658 54 V HN -0.011 nan 8.190 nan 0.000 0.452 55 F N 0.018 120.039 119.950 0.118 0.000 2.427 55 F HA 0.638 5.165 4.527 -0.000 0.000 0.346 55 F C 0.231 176.233 175.800 0.337 0.000 1.120 55 F CA -0.994 57.154 58.000 0.245 0.000 1.033 55 F CB 0.935 40.160 39.000 0.375 0.000 1.126 55 F HN 0.020 nan 8.300 nan 0.000 0.462 56 E N 0.426 121.013 120.200 0.645 0.000 2.410 56 E HA 0.628 4.978 4.350 -0.000 0.000 0.269 56 E C 0.380 177.072 176.600 0.152 0.000 0.937 56 E CA -0.915 55.660 56.400 0.292 0.000 0.793 56 E CB 2.048 31.855 29.700 0.179 0.000 1.314 56 E HN 0.566 nan 8.360 nan 0.000 0.447 57 A N 1.446 124.283 122.820 0.029 0.000 1.927 57 A HA -0.310 4.010 4.320 -0.000 0.000 0.220 57 A C 1.946 179.509 177.584 -0.035 0.000 1.185 57 A CA 2.319 54.349 52.037 -0.011 0.000 0.639 57 A CB -0.845 18.139 19.000 -0.027 0.000 0.820 57 A HN 0.717 nan 8.150 nan 0.000 0.451 58 R N -0.971 119.455 120.500 -0.124 0.000 2.103 58 R HA -0.229 4.111 4.340 -0.000 0.000 0.242 58 R C 1.942 178.160 176.300 -0.137 0.000 1.142 58 R CA 1.954 57.943 56.100 -0.184 0.000 0.960 58 R CB -0.973 29.138 30.300 -0.314 0.000 0.858 58 R HN 0.729 nan 8.270 nan 0.000 0.439 59 H N 0.423 119.546 119.070 0.089 0.000 2.333 59 H HA 0.078 4.633 4.556 -0.000 0.000 0.302 59 H C 2.378 177.770 175.328 0.107 0.000 1.075 59 H CA 1.471 57.596 56.048 0.128 0.000 1.348 59 H CB -0.014 29.885 29.762 0.229 0.000 1.393 59 H HN 0.023 nan 8.280 nan 0.000 0.509 60 M N 1.306 121.030 119.600 0.206 0.000 2.108 60 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 60 M C 2.223 178.556 176.300 0.056 0.000 1.066 60 M CA 1.553 56.910 55.300 0.095 0.000 1.107 60 M CB -0.895 31.721 32.600 0.027 0.000 1.356 60 M HN 0.555 nan 8.290 nan 0.000 0.406 61 Q N -0.455 119.370 119.800 0.042 0.000 2.291 61 Q HA -0.121 4.219 4.340 -0.000 0.000 0.205 61 Q C 1.853 177.876 176.000 0.038 0.000 0.970 61 Q CA 1.062 56.880 55.803 0.026 0.000 0.876 61 Q CB -0.400 28.343 28.738 0.008 0.000 0.935 61 Q HN 0.505 nan 8.270 nan 0.000 0.455 62 R N 0.381 120.918 120.500 0.061 0.000 2.173 62 R HA 0.208 4.548 4.340 -0.000 0.000 0.208 62 R C 0.612 176.956 176.300 0.074 0.000 1.035 62 R CA 0.149 56.291 56.100 0.069 0.000 1.004 62 R CB 0.218 30.576 30.300 0.096 0.000 0.917 62 R HN 0.226 nan 8.270 nan 0.000 0.462 63 L N 2.806 124.076 121.223 0.078 0.000 2.391 63 L HA 0.117 4.457 4.340 -0.000 0.000 0.249 63 L C -0.316 176.585 176.870 0.053 0.000 1.308 63 L CA 0.065 54.947 54.840 0.069 0.000 1.209 63 L CB 0.065 42.156 42.059 0.054 0.000 1.401 63 L HN 0.072 nan 8.230 nan 0.000 0.416 64 Q N 1.087 120.919 119.800 0.054 0.000 2.214 64 Q HA 0.789 5.129 4.340 -0.000 0.000 0.251 64 Q C 0.372 176.403 176.000 0.052 0.000 0.936 64 Q CA -0.292 55.538 55.803 0.045 0.000 0.894 64 Q CB 2.241 31.001 28.738 0.037 0.000 1.252 64 Q HN 0.564 nan 8.270 nan 0.000 0.448 65 G N 1.000 109.827 108.800 0.046 0.000 2.357 65 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.643 65 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.643 65 G C -0.742 174.191 174.900 0.054 0.000 1.358 65 G CA -0.857 44.273 45.100 0.050 0.000 0.986 65 G HN 0.557 nan 8.290 nan 0.000 0.620 66 N N -0.459 118.276 118.700 0.058 0.000 2.205 66 N HA 0.226 4.966 4.740 -0.000 0.000 0.201 66 N C 0.458 176.019 175.510 0.085 0.000 1.128 66 N CA 0.399 53.488 53.050 0.065 0.000 0.867 66 N CB 0.659 39.179 38.487 0.055 0.000 0.996 66 N HN 0.607 nan 8.380 nan 0.000 0.503 67 M N 0.229 119.886 119.600 0.095 0.000 2.267 67 M HA 0.576 5.056 4.480 -0.000 0.000 0.289 67 M C -1.334 175.047 176.300 0.134 0.000 1.043 67 M CA -0.519 54.852 55.300 0.118 0.000 0.928 67 M CB 1.987 34.665 32.600 0.130 0.000 1.613 67 M HN 0.087 nan 8.290 nan 0.000 0.450 68 G N 4.587 113.461 108.800 0.123 0.000 2.646 68 G HA2 0.654 4.614 3.960 -0.000 0.000 0.291 68 G HA3 0.654 4.614 3.960 -0.000 0.000 0.291 68 G C -1.847 173.108 174.900 0.093 0.000 1.445 68 G CA -0.819 44.354 45.100 0.121 0.000 0.814 68 G HN 0.961 nan 8.290 nan 0.000 0.495 69 I N -1.654 118.966 120.570 0.083 0.000 2.957 69 I HA 1.009 5.179 4.170 -0.000 0.000 0.310 69 I C 0.105 176.250 176.117 0.046 0.000 1.063 69 I CA -1.310 60.029 61.300 0.065 0.000 1.033 69 I CB 2.432 40.480 38.000 0.081 0.000 1.230 69 I HN 0.881 nan 8.210 nan 0.000 0.447 70 G N 1.387 110.217 108.800 0.050 0.000 2.672 70 G HA2 0.544 4.504 3.960 -0.000 0.000 0.292 70 G HA3 0.544 4.504 3.960 -0.000 0.000 0.292 70 G C -2.118 172.858 174.900 0.126 0.000 1.375 70 G CA -0.408 44.726 45.100 0.058 0.000 0.890 70 G HN 0.938 nan 8.290 nan 0.000 0.476 71 H N -0.425 118.659 119.070 0.024 0.000 3.026 71 H HA 0.455 5.011 4.556 -0.000 0.000 0.352 71 H C -1.443 173.901 175.328 0.027 0.000 1.090 71 H CA -0.434 55.625 56.048 0.018 0.000 1.268 71 H CB 2.146 31.912 29.762 0.007 0.000 1.816 71 H HN 0.671 nan 8.280 nan 0.000 0.518 72 V N 3.500 123.139 119.914 -0.459 0.000 2.378 72 V HA 0.577 4.696 4.120 -0.000 0.000 0.288 72 V C 0.142 176.018 176.094 -0.362 0.000 1.016 72 V CA -0.980 61.166 62.300 -0.257 0.000 0.840 72 V CB 1.392 33.109 31.823 -0.177 0.000 0.994 72 V HN 0.668 nan 8.190 nan 0.000 0.431 73 R N 3.884 124.342 120.500 -0.069 0.000 2.428 73 R HA 0.523 4.863 4.340 -0.000 0.000 0.294 73 R C -1.635 174.774 176.300 0.181 0.000 1.000 73 R CA -0.699 55.473 56.100 0.119 0.000 0.960 73 R CB 1.381 31.838 30.300 0.263 0.000 1.076 73 R HN 0.915 nan 8.270 nan 0.000 0.475 74 Y N 6.115 126.459 120.300 0.074 0.000 2.488 74 Y HA 0.434 4.983 4.550 -0.000 0.000 0.330 74 Y C -2.632 173.315 175.900 0.079 0.000 1.013 74 Y CA -3.396 54.754 58.100 0.083 0.000 1.304 74 Y CB 1.143 39.698 38.460 0.159 0.000 1.098 74 Y HN 0.572 nan 8.280 nan 0.000 0.498 75 P HA 0.077 nan 4.420 nan 0.000 0.262 75 P C 0.411 177.519 177.300 -0.320 0.000 1.182 75 P CA 0.818 63.852 63.100 -0.110 0.000 0.761 75 P CB 0.789 32.470 31.700 -0.032 0.000 0.795 76 T N -0.491 113.913 114.554 -0.250 0.000 3.041 76 T HA 0.604 4.953 4.350 -0.000 0.000 0.276 76 T C 0.252 174.873 174.700 -0.133 0.000 0.948 76 T CA 0.043 61.986 62.100 -0.262 0.000 0.885 76 T CB 0.248 68.950 68.868 -0.276 0.000 1.175 76 T HN 0.472 nan 8.240 nan 0.000 0.529 77 A N -0.383 122.388 122.820 -0.081 0.000 2.593 77 A HA 0.892 5.211 4.320 -0.000 0.000 0.290 77 A C 0.860 178.432 177.584 -0.020 0.000 1.126 77 A CA -0.060 51.949 52.037 -0.047 0.000 0.695 77 A CB 0.729 19.721 19.000 -0.013 0.000 1.290 77 A HN 1.327 nan 8.150 nan 0.000 0.414 78 G N 0.199 108.990 108.800 -0.015 0.000 2.602 78 G HA2 0.099 4.059 3.960 -0.000 0.000 0.310 78 G HA3 0.099 4.059 3.960 -0.000 0.000 0.310 78 G C 0.789 175.690 174.900 0.002 0.000 1.183 78 G CA 1.548 46.650 45.100 0.003 0.000 0.979 78 G HN 2.696 nan 8.290 nan 0.000 0.545 79 S N -2.905 112.804 115.700 0.015 0.000 2.840 79 S HA 0.736 5.206 4.470 -0.000 0.000 0.307 79 S C 0.664 175.274 174.600 0.016 0.000 1.180 79 S CA 0.874 59.081 58.200 0.011 0.000 0.846 79 S CB 1.391 64.600 63.200 0.016 0.000 1.233 79 S HN 1.327 nan 8.310 nan 0.000 0.548 80 S N 0.555 116.263 115.700 0.014 0.000 2.575 80 S HA 0.299 4.769 4.470 -0.000 0.000 0.215 80 S C 0.754 175.364 174.600 0.018 0.000 0.966 80 S CA 0.087 58.297 58.200 0.017 0.000 0.911 80 S CB -0.468 62.740 63.200 0.013 0.000 0.780 80 S HN 0.755 nan 8.310 nan 0.000 0.514 81 S N 1.301 117.014 115.700 0.021 0.000 2.552 81 S HA 0.256 4.726 4.470 -0.000 0.000 0.289 81 S C 1.342 175.952 174.600 0.016 0.000 1.304 81 S CA 0.125 58.337 58.200 0.020 0.000 1.063 81 S CB 0.802 64.020 63.200 0.029 0.000 0.848 81 S HN 0.450 nan 8.310 nan 0.000 0.499 82 A N 4.002 126.823 122.820 0.002 0.000 2.178 82 A HA -0.028 4.291 4.320 -0.000 0.000 0.218 82 A C 2.273 179.844 177.584 -0.021 0.000 1.157 82 A CA 1.633 53.659 52.037 -0.019 0.000 0.689 82 A CB -0.968 18.015 19.000 -0.029 0.000 0.787 82 A HN 1.186 nan 8.150 nan 0.000 0.465 83 S N -0.153 115.556 115.700 0.017 0.000 2.453 83 S HA -0.089 4.380 4.470 -0.000 0.000 0.231 83 S C 1.139 175.793 174.600 0.090 0.000 1.005 83 S CA 1.085 59.316 58.200 0.051 0.000 0.949 83 S CB -0.285 62.964 63.200 0.081 0.000 0.774 83 S HN 0.691 nan 8.310 nan 0.000 0.510 84 E N 1.391 121.644 120.200 0.088 0.000 2.444 84 E HA 0.426 4.776 4.350 -0.000 0.000 0.191 84 E C 0.415 176.987 176.600 -0.047 0.000 1.041 84 E CA -0.121 56.389 56.400 0.183 0.000 0.883 84 E CB 0.365 30.178 29.700 0.189 0.000 1.024 84 E HN 0.659 nan 8.360 nan 0.000 0.470 85 A N 1.296 124.014 122.820 -0.170 0.000 2.332 85 A HA 0.240 4.560 4.320 -0.000 0.000 0.258 85 A C 0.161 177.450 177.584 -0.492 0.000 1.087 85 A CA -0.144 51.776 52.037 -0.196 0.000 0.802 85 A CB 0.576 19.502 19.000 -0.124 0.000 1.042 85 A HN 0.070 nan 8.150 nan 0.000 0.489 86 Q N 0.732 120.303 119.800 -0.382 0.000 2.359 86 Q HA 0.496 4.836 4.340 -0.000 0.000 0.275 86 Q C -2.516 173.352 176.000 -0.220 0.000 1.082 86 Q CA -2.019 53.461 55.803 -0.538 0.000 0.849 86 Q CB 1.969 30.237 28.738 -0.783 0.000 1.377 86 Q HN 0.592 nan 8.270 nan 0.000 0.452 87 P HA 0.190 nan 4.420 nan 0.000 0.276 87 P C -1.109 176.017 177.300 -0.290 0.000 1.261 87 P CA -0.129 62.843 63.100 -0.213 0.000 0.800 87 P CB 0.624 32.285 31.700 -0.064 0.000 1.066 88 F N -0.159 119.779 119.950 -0.021 0.000 2.483 88 F HA 0.503 5.030 4.527 -0.000 0.000 0.329 88 F C 0.370 176.214 175.800 0.072 0.000 1.064 88 F CA -0.160 57.856 58.000 0.026 0.000 0.986 88 F CB 1.128 40.137 39.000 0.016 0.000 1.218 88 F HN 0.286 nan 8.300 nan 0.000 0.484 89 Y N 1.620 122.019 120.300 0.165 0.000 2.524 89 Y HA 0.703 5.253 4.550 -0.000 0.000 0.347 89 Y C -1.790 174.172 175.900 0.103 0.000 1.005 89 Y CA -1.381 56.745 58.100 0.044 0.000 1.025 89 Y CB 1.673 40.081 38.460 -0.088 0.000 1.275 89 Y HN 0.479 nan 8.280 nan 0.000 0.460 90 V N 2.672 122.190 119.914 -0.660 0.000 2.841 90 V HA 0.426 4.546 4.120 -0.000 0.000 0.310 90 V C -0.316 175.208 176.094 -0.951 0.000 1.090 90 V CA -0.476 61.439 62.300 -0.640 0.000 0.930 90 V CB 1.839 33.531 31.823 -0.218 0.000 1.014 90 V HN 0.986 nan 8.190 nan 0.000 0.425 91 N N 1.712 120.009 118.700 -0.671 0.000 2.412 91 N HA 0.052 4.792 4.740 -0.000 0.000 0.184 91 N C 0.326 175.786 175.510 -0.085 0.000 1.101 91 N CA 0.779 53.658 53.050 -0.285 0.000 0.881 91 N CB 0.737 39.235 38.487 0.019 0.000 0.969 91 N HN 1.073 nan 8.380 nan 0.000 0.459 92 S N 0.433 116.062 115.700 -0.119 0.000 2.536 92 S HA 0.553 5.023 4.470 -0.000 0.000 0.271 92 S C -3.255 171.281 174.600 -0.106 0.000 1.134 92 S CA -1.044 57.092 58.200 -0.106 0.000 0.897 92 S CB 2.521 65.653 63.200 -0.112 0.000 1.094 92 S HN 0.039 nan 8.310 nan 0.000 0.473 93 P HA 0.321 nan 4.420 nan 0.000 0.282 93 P C -0.343 176.917 177.300 -0.068 0.000 1.249 93 P CA 0.176 63.145 63.100 -0.219 0.000 0.806 93 P CB 0.102 31.655 31.700 -0.244 0.000 0.984 94 Y N 0.402 120.736 120.300 0.056 0.000 3.300 94 Y HA -0.267 4.283 4.550 -0.000 0.000 0.453 94 Y C 1.200 177.201 175.900 0.168 0.000 1.180 94 Y CA 2.090 60.267 58.100 0.128 0.000 2.522 94 Y CB -2.463 36.112 38.460 0.193 0.000 0.854 94 Y HN 0.940 nan 8.280 nan 0.000 0.511 95 G N 0.349 109.331 108.800 0.304 0.000 3.017 95 G HA2 0.175 4.135 3.960 -0.000 0.000 0.680 95 G HA3 0.175 4.135 3.960 -0.000 0.000 0.680 95 G C -0.800 174.460 174.900 0.600 0.000 1.179 95 G CA -0.458 44.914 45.100 0.453 0.000 1.142 95 G HN 0.557 nan 8.290 nan 0.000 0.489 96 I N 1.046 121.859 120.570 0.405 0.000 2.569 96 I HA 0.791 4.961 4.170 -0.000 0.000 0.296 96 I C 0.256 176.535 176.117 0.269 0.000 1.028 96 I CA -1.013 60.519 61.300 0.385 0.000 1.082 96 I CB 2.647 40.804 38.000 0.260 0.000 1.264 96 I HN 0.393 nan 8.210 nan 0.000 0.429 97 T N 6.340 121.009 114.554 0.193 0.000 2.886 97 T HA 0.729 5.079 4.350 -0.000 0.000 0.292 97 T C -1.413 173.361 174.700 0.124 0.000 1.012 97 T CA -0.423 61.696 62.100 0.031 0.000 0.982 97 T CB 1.297 69.930 68.868 -0.392 0.000 1.018 97 T HN 0.530 nan 8.240 nan 0.000 0.451 98 L N 3.956 125.263 121.223 0.140 0.000 2.409 98 L HA 0.937 5.276 4.340 -0.000 0.000 0.262 98 L C -1.080 175.849 176.870 0.098 0.000 0.992 98 L CA -0.614 54.304 54.840 0.131 0.000 0.817 98 L CB 1.914 44.067 42.059 0.157 0.000 1.350 98 L HN 0.804 nan 8.230 nan 0.000 0.411 99 A N 2.841 125.698 122.820 0.062 0.000 2.343 99 A HA 0.579 4.899 4.320 -0.000 0.000 0.316 99 A C -1.612 176.038 177.584 0.110 0.000 1.104 99 A CA -0.421 51.640 52.037 0.039 0.000 0.768 99 A CB 0.808 19.869 19.000 0.101 0.000 1.213 99 A HN 0.869 nan 8.150 nan 0.000 0.456 100 H N 2.898 121.964 119.070 -0.008 0.000 2.589 100 H HA 0.433 4.989 4.556 -0.000 0.000 0.351 100 H C -1.529 173.903 175.328 0.173 0.000 1.074 100 H CA -0.513 55.559 56.048 0.040 0.000 1.203 100 H CB 1.459 31.228 29.762 0.012 0.000 1.558 100 H HN 0.775 nan 8.280 nan 0.000 0.522 101 N N 3.999 122.708 118.700 0.015 0.000 2.511 101 N HA 0.465 5.205 4.740 -0.000 0.000 0.249 101 N C -0.685 174.742 175.510 -0.139 0.000 0.971 101 N CA 0.078 53.091 53.050 -0.063 0.000 0.938 101 N CB 1.214 39.727 38.487 0.044 0.000 1.131 101 N HN 0.966 nan 8.380 nan 0.000 0.505 102 G N 2.095 110.684 108.800 -0.353 0.000 2.351 102 G HA2 0.044 4.004 3.960 -0.000 0.000 0.279 102 G HA3 0.044 4.004 3.960 -0.000 0.000 0.279 102 G C -2.026 172.864 174.900 -0.016 0.000 1.297 102 G CA -0.866 44.208 45.100 -0.044 0.000 0.886 102 G HN 0.631 nan 8.290 nan 0.000 0.493 103 N N -0.926 117.968 118.700 0.323 0.000 2.406 103 N HA 0.565 5.305 4.740 -0.000 0.000 0.283 103 N C -1.002 174.740 175.510 0.386 0.000 1.074 103 N CA -0.632 52.605 53.050 0.313 0.000 0.916 103 N CB 1.674 40.274 38.487 0.188 0.000 1.639 103 N HN 0.567 nan 8.380 nan 0.000 0.485 104 L N 2.207 123.614 121.223 0.307 0.000 2.292 104 L HA 0.380 4.720 4.340 -0.000 0.000 0.284 104 L C 1.270 178.242 176.870 0.170 0.000 1.065 104 L CA -0.438 54.537 54.840 0.226 0.000 0.806 104 L CB 1.435 43.562 42.059 0.113 0.000 1.175 104 L HN 0.809 nan 8.230 nan 0.000 0.431 105 T N -2.569 112.061 114.554 0.127 0.000 3.129 105 T HA -0.004 4.346 4.350 -0.000 0.000 0.251 105 T C 0.768 175.426 174.700 -0.070 0.000 1.117 105 T CA -0.043 62.042 62.100 -0.024 0.000 1.034 105 T CB -0.353 68.385 68.868 -0.217 0.000 0.968 105 T HN 0.671 nan 8.240 nan 0.000 0.526 106 N N 0.477 119.191 118.700 0.024 0.000 2.553 106 N HA 0.452 5.191 4.740 -0.000 0.000 0.298 106 N C 0.976 176.526 175.510 0.066 0.000 1.596 106 N CA -0.018 53.056 53.050 0.040 0.000 0.910 106 N CB 0.362 38.861 38.487 0.020 0.000 1.336 106 N HN 0.237 nan 8.380 nan 0.000 0.497 107 A N 0.944 123.809 122.820 0.075 0.000 1.845 107 A HA -0.251 4.069 4.320 -0.000 0.000 0.215 107 A C 2.044 179.669 177.584 0.069 0.000 1.195 107 A CA 1.577 53.643 52.037 0.048 0.000 0.616 107 A CB -1.223 17.794 19.000 0.027 0.000 0.832 107 A HN 0.647 nan 8.150 nan 0.000 0.443 108 H N 0.063 119.144 119.070 0.019 0.000 2.292 108 H HA -0.239 4.316 4.556 -0.000 0.000 0.292 108 H C 2.073 177.430 175.328 0.048 0.000 1.100 108 H CA 2.382 58.464 56.048 0.055 0.000 1.238 108 H CB -0.335 29.507 29.762 0.134 0.000 1.355 108 H HN 0.712 nan 8.280 nan 0.000 0.484 109 E N 0.254 120.540 120.200 0.143 0.000 2.130 109 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 109 E C 2.571 179.159 176.600 -0.019 0.000 0.998 109 E CA 1.421 57.860 56.400 0.066 0.000 0.806 109 E CB -0.068 29.691 29.700 0.099 0.000 0.738 109 E HN 0.556 nan 8.360 nan 0.000 0.459 110 L N -0.307 120.906 121.223 -0.016 0.000 2.209 110 L HA 0.022 4.362 4.340 -0.000 0.000 0.207 110 L C 2.813 179.651 176.870 -0.054 0.000 1.094 110 L CA 0.417 55.238 54.840 -0.032 0.000 0.790 110 L CB -0.243 41.799 42.059 -0.028 0.000 0.932 110 L HN 0.036 nan 8.230 nan 0.000 0.447 111 R N 0.547 121.000 120.500 -0.079 0.000 2.083 111 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 111 R C 2.424 178.680 176.300 -0.073 0.000 1.137 111 R CA 1.595 57.639 56.100 -0.093 0.000 0.951 111 R CB -0.106 30.127 30.300 -0.111 0.000 0.851 111 R HN 0.180 nan 8.270 nan 0.000 0.434 112 K N 0.835 121.171 120.400 -0.107 0.000 2.026 112 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 112 K C 1.881 178.484 176.600 0.004 0.000 1.048 112 K CA 1.486 57.739 56.287 -0.056 0.000 0.929 112 K CB -0.022 32.413 32.500 -0.109 0.000 0.713 112 K HN 0.039 nan 8.250 nan 0.000 0.439 113 K N 0.765 121.154 120.400 -0.019 0.000 2.001 113 K HA -0.159 4.161 4.320 -0.000 0.000 0.214 113 K C 2.299 178.903 176.600 0.007 0.000 1.050 113 K CA 1.774 58.055 56.287 -0.011 0.000 0.934 113 K CB -0.341 32.147 32.500 -0.020 0.000 0.718 113 K HN 0.183 nan 8.250 nan 0.000 0.443 114 L N 0.081 121.310 121.223 0.011 0.000 2.089 114 L HA -0.263 4.077 4.340 -0.000 0.000 0.213 114 L C 2.383 179.319 176.870 0.109 0.000 1.079 114 L CA 1.269 56.127 54.840 0.030 0.000 0.758 114 L CB -0.370 41.692 42.059 0.006 0.000 0.891 114 L HN 0.191 nan 8.230 nan 0.000 0.433 115 F N 0.680 120.598 119.950 -0.053 0.000 2.084 115 F HA -0.109 4.418 4.527 -0.000 0.000 0.283 115 F C 2.495 178.279 175.800 -0.027 0.000 1.141 115 F CA 1.411 59.393 58.000 -0.031 0.000 1.146 115 F CB -0.535 38.451 39.000 -0.024 0.000 1.035 115 F HN -0.033 nan 8.300 nan 0.000 0.485 116 E N -0.062 120.090 120.200 -0.080 0.000 2.130 116 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 116 E C 1.975 178.482 176.600 -0.156 0.000 0.998 116 E CA 1.825 58.112 56.400 -0.189 0.000 0.806 116 E CB -0.215 29.453 29.700 -0.055 0.000 0.738 116 E HN 0.601 nan 8.360 nan 0.000 0.459 117 E N 0.380 120.527 120.200 -0.089 0.000 2.035 117 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 117 E C 1.718 178.265 176.600 -0.087 0.000 0.966 117 E CA 0.428 56.781 56.400 -0.079 0.000 0.823 117 E CB 0.149 29.819 29.700 -0.051 0.000 0.791 117 E HN -0.043 nan 8.360 nan 0.000 0.459 118 K N 0.745 121.106 120.400 -0.065 0.000 2.444 118 K HA 0.124 4.444 4.320 -0.000 0.000 0.193 118 K C -0.045 176.519 176.600 -0.060 0.000 1.024 118 K CA 0.028 56.277 56.287 -0.063 0.000 1.077 118 K CB 0.216 32.686 32.500 -0.050 0.000 0.833 118 K HN 0.141 nan 8.250 nan 0.000 0.517 119 R N 1.444 121.894 120.500 -0.084 0.000 3.416 119 R HA -0.175 4.165 4.340 -0.000 0.000 0.263 119 R C -0.360 175.963 176.300 0.038 0.000 1.053 119 R CA 0.693 56.742 56.100 -0.086 0.000 0.705 119 R CB -1.249 28.982 30.300 -0.116 0.000 1.124 119 R HN 0.132 nan 8.270 nan 0.000 0.444 120 R N 0.393 120.959 120.500 0.110 0.000 2.787 120 R HA 0.426 4.766 4.340 -0.000 0.000 0.271 120 R C -0.303 176.138 176.300 0.234 0.000 0.993 120 R CA -1.016 55.157 56.100 0.122 0.000 0.993 120 R CB 1.054 31.378 30.300 0.040 0.000 1.155 120 R HN 0.158 nan 8.270 nan 0.000 0.486 121 H N 0.865 119.973 119.070 0.064 0.000 2.505 121 H HA 0.383 4.939 4.556 -0.000 0.000 0.338 121 H C -0.776 174.523 175.328 -0.047 0.000 1.057 121 H CA -0.581 55.475 56.048 0.014 0.000 1.202 121 H CB 0.721 30.489 29.762 0.010 0.000 1.466 121 H HN 0.271 nan 8.280 nan 0.000 0.499 122 I N 5.006 125.174 120.570 -0.670 0.000 2.312 122 I HA 0.085 4.255 4.170 -0.000 0.000 0.290 122 I C 0.634 176.385 176.117 -0.609 0.000 1.008 122 I CA -0.248 60.767 61.300 -0.475 0.000 1.226 122 I CB 0.998 38.803 38.000 -0.326 0.000 1.371 122 I HN 0.764 nan 8.210 nan 0.000 0.468 123 N N 3.049 121.569 118.700 -0.300 0.000 2.299 123 N HA -0.003 4.737 4.740 -0.000 0.000 0.187 123 N C 0.611 176.081 175.510 -0.065 0.000 1.099 123 N CA 0.200 53.178 53.050 -0.120 0.000 0.867 123 N CB 0.622 39.171 38.487 0.104 0.000 0.974 123 N HN 0.789 nan 8.380 nan 0.000 0.477 124 T N -4.179 110.314 114.554 -0.102 0.000 2.804 124 T HA 0.320 4.670 4.350 -0.000 0.000 0.272 124 T C 0.787 175.440 174.700 -0.077 0.000 0.986 124 T CA -0.348 61.725 62.100 -0.044 0.000 0.999 124 T CB 1.051 69.931 68.868 0.020 0.000 1.307 124 T HN 0.022 nan 8.240 nan 0.000 0.586 125 T N -1.603 112.932 114.554 -0.033 0.000 3.176 125 T HA 0.338 4.687 4.350 -0.000 0.000 0.263 125 T C 0.568 175.252 174.700 -0.026 0.000 1.021 125 T CA -0.371 61.709 62.100 -0.033 0.000 0.905 125 T CB -0.275 68.588 68.868 -0.008 0.000 1.057 125 T HN 0.609 nan 8.240 nan 0.000 0.558 126 S N 2.289 117.966 115.700 -0.039 0.000 2.475 126 S HA 0.203 4.673 4.470 -0.000 0.000 0.281 126 S C 1.279 175.838 174.600 -0.068 0.000 1.198 126 S CA -0.623 57.572 58.200 -0.008 0.000 1.063 126 S CB 0.632 63.892 63.200 0.101 0.000 0.972 126 S HN 0.467 nan 8.310 nan 0.000 0.486 127 D N 4.156 124.561 120.400 0.007 0.000 2.219 127 D HA -0.096 4.543 4.640 -0.000 0.000 0.205 127 D C 1.466 177.763 176.300 -0.006 0.000 0.970 127 D CA 0.891 54.896 54.000 0.007 0.000 0.851 127 D CB -0.511 40.337 40.800 0.081 0.000 0.943 127 D HN 0.495 nan 8.370 nan 0.000 0.488 128 S N 0.817 116.587 115.700 0.116 0.000 2.368 128 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 128 S C 1.841 176.364 174.600 -0.128 0.000 1.030 128 S CA 1.216 59.519 58.200 0.170 0.000 0.999 128 S CB -0.293 63.161 63.200 0.424 0.000 0.844 128 S HN 0.450 nan 8.310 nan 0.000 0.459 129 E N 0.992 120.908 120.200 -0.474 0.000 2.077 129 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 129 E C 1.953 178.345 176.600 -0.346 0.000 0.989 129 E CA 1.001 56.944 56.400 -0.761 0.000 0.800 129 E CB -0.183 28.872 29.700 -1.075 0.000 0.746 129 E HN 0.496 nan 8.360 nan 0.000 0.452 130 I N 1.030 121.452 120.570 -0.248 0.000 2.226 130 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 130 I C 2.647 178.688 176.117 -0.126 0.000 1.100 130 I CA 0.729 61.932 61.300 -0.161 0.000 1.374 130 I CB -0.203 37.723 38.000 -0.122 0.000 1.057 130 I HN 0.255 nan 8.210 nan 0.000 0.413 131 L N 0.381 121.516 121.223 -0.147 0.000 2.046 131 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 131 L C 2.505 179.351 176.870 -0.041 0.000 1.077 131 L CA 1.288 56.037 54.840 -0.152 0.000 0.747 131 L CB -0.182 41.694 42.059 -0.306 0.000 0.896 131 L HN 0.238 nan 8.230 nan 0.000 0.432 132 L N 0.027 121.238 121.223 -0.020 0.000 2.042 132 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 132 L C 2.108 179.033 176.870 0.091 0.000 1.076 132 L CA 1.871 56.767 54.840 0.093 0.000 0.749 132 L CB -1.022 41.080 42.059 0.072 0.000 0.893 132 L HN 0.322 nan 8.230 nan 0.000 0.432 133 N N -0.297 118.399 118.700 -0.006 0.000 2.309 133 N HA -0.117 4.623 4.740 -0.000 0.000 0.182 133 N C 1.721 177.229 175.510 -0.004 0.000 1.018 133 N CA 1.323 54.362 53.050 -0.018 0.000 0.876 133 N CB 0.080 38.532 38.487 -0.058 0.000 0.972 133 N HN 0.361 nan 8.380 nan 0.000 0.434 134 I N 0.546 121.121 120.570 0.009 0.000 2.233 134 I HA -0.189 3.981 4.170 -0.000 0.000 0.243 134 I C 2.153 178.309 176.117 0.064 0.000 1.093 134 I CA 0.699 62.003 61.300 0.008 0.000 1.380 134 I CB -1.231 36.759 38.000 -0.017 0.000 1.067 134 I HN -0.004 nan 8.210 nan 0.000 0.413 135 F N 2.226 122.132 119.950 -0.073 0.000 2.161 135 F HA -0.200 4.327 4.527 -0.000 0.000 0.300 135 F C 2.411 178.191 175.800 -0.033 0.000 1.089 135 F CA 1.280 59.241 58.000 -0.065 0.000 1.282 135 F CB -0.502 38.486 39.000 -0.020 0.000 1.010 135 F HN 0.038 nan 8.300 nan 0.000 0.485 136 A N -0.112 122.676 122.820 -0.054 0.000 1.841 136 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 136 A C 2.437 179.932 177.584 -0.148 0.000 1.195 136 A CA 2.310 54.251 52.037 -0.160 0.000 0.611 136 A CB -1.579 17.381 19.000 -0.067 0.000 0.835 136 A HN 0.486 nan 8.150 nan 0.000 0.443 137 S N -0.334 115.311 115.700 -0.091 0.000 2.400 137 S HA -0.213 4.257 4.470 -0.000 0.000 0.232 137 S C 1.664 176.189 174.600 -0.125 0.000 1.025 137 S CA 1.707 59.850 58.200 -0.096 0.000 0.993 137 S CB -0.402 62.757 63.200 -0.069 0.000 0.808 137 S HN 0.503 nan 8.310 nan 0.000 0.478 138 E N 1.420 121.551 120.200 -0.114 0.000 2.046 138 E HA 0.096 4.446 4.350 -0.000 0.000 0.190 138 E C 2.151 178.650 176.600 -0.168 0.000 0.982 138 E CA 0.776 57.102 56.400 -0.123 0.000 0.800 138 E CB -0.699 28.977 29.700 -0.039 0.000 0.756 138 E HN 0.518 nan 8.360 nan 0.000 0.449 139 L N 1.222 122.320 121.223 -0.208 0.000 2.187 139 L HA -0.190 4.150 4.340 -0.000 0.000 0.213 139 L C 1.664 178.495 176.870 -0.064 0.000 1.100 139 L CA 1.103 55.840 54.840 -0.170 0.000 0.765 139 L CB -0.140 41.645 42.059 -0.456 0.000 0.904 139 L HN 0.046 nan 8.230 nan 0.000 0.437 140 D N -0.315 120.005 120.400 -0.134 0.000 2.338 140 D HA -0.104 4.536 4.640 -0.000 0.000 0.239 140 D C 1.142 177.338 176.300 -0.173 0.000 1.095 140 D CA 0.518 54.447 54.000 -0.119 0.000 0.888 140 D CB -0.204 40.521 40.800 -0.125 0.000 0.899 140 D HN 0.339 nan 8.370 nan 0.000 0.525 141 N N -1.153 117.348 118.700 -0.332 0.000 2.270 141 N HA 0.093 4.833 4.740 -0.000 0.000 0.198 141 N C -0.788 174.306 175.510 -0.693 0.000 1.117 141 N CA -0.159 52.568 53.050 -0.539 0.000 0.845 141 N CB 0.431 38.488 38.487 -0.717 0.000 0.980 141 N HN -0.012 nan 8.380 nan 0.000 0.486 142 F N -0.604 119.338 119.950 -0.013 0.000 2.540 142 F HA 0.467 4.994 4.527 -0.000 0.000 0.317 142 F C 0.800 176.677 175.800 0.128 0.000 1.104 142 F CA -0.920 57.100 58.000 0.034 0.000 0.913 142 F CB 1.821 40.832 39.000 0.017 0.000 1.170 142 F HN -0.248 nan 8.300 nan 0.000 0.450 143 R N -0.055 120.660 120.500 0.359 0.000 2.541 143 R HA 0.037 4.377 4.340 -0.000 0.000 0.332 143 R C 0.913 177.419 176.300 0.344 0.000 0.951 143 R CA -0.119 56.157 56.100 0.293 0.000 1.136 143 R CB 0.030 30.419 30.300 0.149 0.000 1.449 143 R HN 0.629 nan 8.270 nan 0.000 0.531 144 H N 0.388 119.562 119.070 0.173 0.000 2.696 144 H HA -0.055 4.500 4.556 -0.000 0.000 0.288 144 H C -0.441 174.966 175.328 0.131 0.000 1.096 144 H CA -0.399 55.723 56.048 0.123 0.000 1.202 144 H CB -1.486 28.313 29.762 0.062 0.000 1.279 144 H HN 0.145 nan 8.280 nan 0.000 0.630 145 Y N 2.933 123.199 120.300 -0.057 0.000 2.956 145 Y HA -0.211 4.339 4.550 -0.000 0.000 0.391 145 Y C -1.846 173.926 175.900 -0.213 0.000 1.101 145 Y CA -0.742 57.323 58.100 -0.059 0.000 1.556 145 Y CB 0.300 38.827 38.460 0.111 0.000 1.006 145 Y HN 0.384 nan 8.280 nan 0.000 0.551 146 P HA 0.298 nan 4.420 nan 0.000 0.280 146 P C -0.846 176.154 177.300 -0.500 0.000 1.272 146 P CA -0.765 61.751 63.100 -0.973 0.000 0.819 146 P CB 1.100 32.227 31.700 -0.956 0.000 1.122 147 L N 1.095 122.166 121.223 -0.254 0.000 2.499 147 L HA 0.072 4.412 4.340 -0.000 0.000 0.273 147 L C 1.234 177.994 176.870 -0.183 0.000 1.195 147 L CA 0.357 55.036 54.840 -0.269 0.000 0.882 147 L CB -0.160 41.450 42.059 -0.748 0.000 1.133 147 L HN 0.348 nan 8.230 nan 0.000 0.483 148 E N 1.425 121.550 120.200 -0.124 0.000 2.283 148 E HA 0.248 4.598 4.350 -0.000 0.000 0.271 148 E C 0.649 177.026 176.600 -0.372 0.000 1.031 148 E CA 0.145 56.440 56.400 -0.176 0.000 0.868 148 E CB 1.825 31.456 29.700 -0.114 0.000 1.094 148 E HN 0.612 nan 8.360 nan 0.000 0.401 149 A N 3.308 125.888 122.820 -0.400 0.000 1.940 149 A HA -0.271 4.049 4.320 -0.000 0.000 0.221 149 A C 1.742 178.877 177.584 -0.749 0.000 1.190 149 A CA 2.228 53.871 52.037 -0.656 0.000 0.647 149 A CB -0.434 18.100 19.000 -0.777 0.000 0.821 149 A HN 0.758 nan 8.150 nan 0.000 0.457 150 D N -0.592 119.551 120.400 -0.428 0.000 2.133 150 D HA -0.171 4.469 4.640 -0.000 0.000 0.195 150 D C 1.699 177.782 176.300 -0.362 0.000 0.997 150 D CA 1.739 55.589 54.000 -0.250 0.000 0.840 150 D CB -0.240 40.430 40.800 -0.216 0.000 0.947 150 D HN 0.710 nan 8.370 nan 0.000 0.452 151 N N -0.151 118.196 118.700 -0.589 0.000 2.188 151 N HA -0.057 4.683 4.740 -0.000 0.000 0.184 151 N C 2.101 177.319 175.510 -0.487 0.000 1.018 151 N CA 0.504 53.005 53.050 -0.915 0.000 0.858 151 N CB 0.119 37.855 38.487 -1.251 0.000 0.989 151 N HN 0.215 nan 8.380 nan 0.000 0.426 152 I N 0.348 120.604 120.570 -0.525 0.000 2.142 152 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 152 I C 1.465 177.475 176.117 -0.179 0.000 1.078 152 I CA 1.191 62.231 61.300 -0.433 0.000 1.343 152 I CB -0.346 37.155 38.000 -0.832 0.000 1.046 152 I HN 0.049 nan 8.210 nan 0.000 0.405 153 F N 1.288 121.156 119.950 -0.136 0.000 2.126 153 F HA -0.201 4.325 4.527 -0.000 0.000 0.299 153 F C 2.687 178.462 175.800 -0.040 0.000 1.096 153 F CA 1.067 59.023 58.000 -0.073 0.000 1.255 153 F CB -1.444 37.511 39.000 -0.075 0.000 0.997 153 F HN 0.027 nan 8.300 nan 0.000 0.479 154 A N -0.003 122.887 122.820 0.117 0.000 1.940 154 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 154 A C 2.470 180.164 177.584 0.184 0.000 1.176 154 A CA 1.961 54.082 52.037 0.139 0.000 0.631 154 A CB -1.254 17.836 19.000 0.149 0.000 0.814 154 A HN 0.309 nan 8.150 nan 0.000 0.446 155 A N -0.097 122.847 122.820 0.208 0.000 1.898 155 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 155 A C 2.105 179.786 177.584 0.162 0.000 1.181 155 A CA 1.389 53.530 52.037 0.173 0.000 0.620 155 A CB -0.563 18.482 19.000 0.075 0.000 0.819 155 A HN 0.499 nan 8.150 nan 0.000 0.442 156 I N -0.192 120.471 120.570 0.154 0.000 2.226 156 I HA -0.278 3.891 4.170 -0.000 0.000 0.245 156 I C 2.960 179.026 176.117 -0.085 0.000 1.100 156 I CA 1.118 62.359 61.300 -0.098 0.000 1.374 156 I CB -0.413 37.455 38.000 -0.221 0.000 1.057 156 I HN 0.357 nan 8.210 nan 0.000 0.413 157 A N 0.827 123.652 122.820 0.008 0.000 1.898 157 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 157 A C 2.550 180.141 177.584 0.011 0.000 1.181 157 A CA 1.737 53.781 52.037 0.012 0.000 0.620 157 A CB -0.777 18.242 19.000 0.032 0.000 0.819 157 A HN 0.426 nan 8.150 nan 0.000 0.442 158 A N -1.101 121.734 122.820 0.025 0.000 1.972 158 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 158 A C 2.278 179.860 177.584 -0.004 0.000 1.169 158 A CA 2.236 54.279 52.037 0.011 0.000 0.635 158 A CB -1.120 17.886 19.000 0.011 0.000 0.810 158 A HN 0.427 nan 8.150 nan 0.000 0.446 159 T N 0.722 115.269 114.554 -0.011 0.000 2.643 159 T HA -0.136 4.214 4.350 -0.000 0.000 0.264 159 T C 1.903 176.574 174.700 -0.049 0.000 1.045 159 T CA 1.434 63.508 62.100 -0.042 0.000 1.155 159 T CB -0.420 68.391 68.868 -0.096 0.000 0.863 159 T HN 0.504 nan 8.240 nan 0.000 0.420 160 N N 1.084 119.764 118.700 -0.034 0.000 2.094 160 N HA -0.088 4.652 4.740 -0.000 0.000 0.191 160 N C 2.023 177.565 175.510 0.053 0.000 1.023 160 N CA 0.866 53.951 53.050 0.059 0.000 0.857 160 N CB -0.260 38.278 38.487 0.085 0.000 1.013 160 N HN 0.202 nan 8.380 nan 0.000 0.426 161 R N 0.863 121.377 120.500 0.024 0.000 2.105 161 R HA -0.038 4.302 4.340 -0.000 0.000 0.239 161 R C 2.255 178.565 176.300 0.015 0.000 1.135 161 R CA 0.719 56.831 56.100 0.019 0.000 0.967 161 R CB -0.672 29.633 30.300 0.007 0.000 0.861 161 R HN 0.352 nan 8.270 nan 0.000 0.442 162 L N 0.651 121.877 121.223 0.004 0.000 2.127 162 L HA 0.100 4.440 4.340 -0.000 0.000 0.203 162 L C 1.504 178.377 176.870 0.006 0.000 1.080 162 L CA 0.347 55.186 54.840 -0.002 0.000 0.768 162 L CB -0.304 41.744 42.059 -0.018 0.000 0.924 162 L HN 0.093 nan 8.230 nan 0.000 0.444 163 I N -1.890 118.683 120.570 0.005 0.000 2.713 163 I HA 0.387 4.557 4.170 -0.000 0.000 0.300 163 I C -0.296 175.890 176.117 0.115 0.000 1.009 163 I CA -0.602 60.712 61.300 0.023 0.000 1.305 163 I CB 0.976 38.926 38.000 -0.083 0.000 1.430 163 I HN -0.003 nan 8.210 nan 0.000 0.546 164 R N 3.276 123.856 120.500 0.134 0.000 2.628 164 R HA 0.792 5.132 4.340 -0.000 0.000 0.288 164 R C -0.159 176.276 176.300 0.225 0.000 0.980 164 R CA -0.341 55.851 56.100 0.153 0.000 0.891 164 R CB 1.517 31.854 30.300 0.061 0.000 1.188 164 R HN 1.172 nan 8.270 nan 0.000 0.450 165 G N 0.412 109.352 108.800 0.234 0.000 2.298 165 G HA2 0.232 4.192 3.960 -0.000 0.000 0.309 165 G HA3 0.232 4.192 3.960 -0.000 0.000 0.309 165 G C -1.731 173.224 174.900 0.092 0.000 1.279 165 G CA -0.389 44.893 45.100 0.303 0.000 1.042 165 G HN 0.697 nan 8.290 nan 0.000 0.480 166 A N -0.387 122.533 122.820 0.166 0.000 2.324 166 A HA 1.011 5.330 4.320 -0.000 0.000 0.330 166 A C -0.744 176.970 177.584 0.217 0.000 1.165 166 A CA 0.081 52.066 52.037 -0.087 0.000 0.813 166 A CB 0.875 19.820 19.000 -0.092 0.000 1.197 166 A HN 2.228 nan 8.150 nan 0.000 0.484 167 Y N -1.413 118.962 120.300 0.125 0.000 2.357 167 Y HA 0.629 5.179 4.550 -0.000 0.000 0.319 167 Y C -0.611 175.332 175.900 0.071 0.000 1.225 167 Y CA -1.026 57.199 58.100 0.209 0.000 1.095 167 Y CB 0.579 39.136 38.460 0.161 0.000 1.302 167 Y HN 0.969 nan 8.280 nan 0.000 0.429 168 A N 2.757 125.704 122.820 0.212 0.000 2.291 168 A HA 0.826 5.146 4.320 -0.000 0.000 0.311 168 A C -0.879 176.700 177.584 -0.008 0.000 1.224 168 A CA -0.522 51.549 52.037 0.057 0.000 0.821 168 A CB 0.173 19.199 19.000 0.043 0.000 1.172 168 A HN 0.922 nan 8.150 nan 0.000 0.494 169 C N 0.990 120.109 119.300 -0.303 0.000 2.779 169 C HA 0.869 5.329 4.460 -0.000 0.000 0.314 169 C C -0.085 174.662 174.990 -0.405 0.000 1.231 169 C CA -0.676 58.060 59.018 -0.471 0.000 1.652 169 C CB 1.463 28.548 27.740 -1.093 0.000 2.198 169 C HN 0.799 nan 8.230 nan 0.000 0.483 170 V N 1.476 121.278 119.914 -0.187 0.000 2.808 170 V HA 0.927 5.047 4.120 -0.000 0.000 0.308 170 V C -0.521 175.596 176.094 0.038 0.000 1.099 170 V CA 0.215 62.495 62.300 -0.034 0.000 0.920 170 V CB 1.784 33.624 31.823 0.029 0.000 1.014 170 V HN 1.382 nan 8.190 nan 0.000 0.425 171 A N 6.644 129.543 122.820 0.132 0.000 2.583 171 A HA 0.990 5.310 4.320 -0.000 0.000 0.289 171 A C -1.339 176.415 177.584 0.283 0.000 1.151 171 A CA -0.808 51.354 52.037 0.209 0.000 0.695 171 A CB 2.278 21.441 19.000 0.271 0.000 1.290 171 A HN 0.816 nan 8.150 nan 0.000 0.419 172 M N 0.917 120.720 119.600 0.338 0.000 2.326 172 M HA 0.469 4.949 4.480 -0.000 0.000 0.292 172 M C -1.563 175.047 176.300 0.516 0.000 1.081 172 M CA 0.037 55.588 55.300 0.419 0.000 0.919 172 M CB 1.983 34.863 32.600 0.467 0.000 1.634 172 M HN 0.520 nan 8.290 nan 0.000 0.451 173 I N 4.232 125.076 120.570 0.457 0.000 2.354 173 I HA 0.316 4.486 4.170 -0.000 0.000 0.286 173 I C 0.007 176.362 176.117 0.396 0.000 1.007 173 I CA -0.850 60.705 61.300 0.423 0.000 1.167 173 I CB 1.151 39.320 38.000 0.282 0.000 1.320 173 I HN 0.546 nan 8.210 nan 0.000 0.458 174 I N 6.058 126.838 120.570 0.351 0.000 2.821 174 I HA -0.072 4.098 4.170 -0.000 0.000 0.294 174 I C 1.517 177.748 176.117 0.189 0.000 1.210 174 I CA 1.292 62.678 61.300 0.143 0.000 1.430 174 I CB -0.460 37.551 38.000 0.019 0.000 1.356 174 I HN 1.017 nan 8.210 nan 0.000 0.563 175 G N 5.272 114.100 108.800 0.046 0.000 2.199 175 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.254 175 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.254 175 G C 0.648 175.323 174.900 -0.375 0.000 0.982 175 G CA 0.638 45.663 45.100 -0.124 0.000 0.632 175 G HN 0.719 nan 8.290 nan 0.000 0.529 176 H N -0.806 118.312 119.070 0.080 0.000 2.143 176 H HA 0.538 5.093 4.556 -0.000 0.000 0.238 176 H C 1.486 176.952 175.328 0.230 0.000 0.914 176 H CA 1.473 57.602 56.048 0.136 0.000 1.154 176 H CB 0.711 30.522 29.762 0.081 0.000 1.359 176 H HN 1.256 nan 8.280 nan 0.000 0.493 177 G N -0.183 108.864 108.800 0.411 0.000 2.350 177 G HA2 0.099 4.059 3.960 -0.000 0.000 0.276 177 G HA3 0.099 4.059 3.960 -0.000 0.000 0.276 177 G C -1.452 173.680 174.900 0.387 0.000 1.313 177 G CA -0.519 44.767 45.100 0.309 0.000 0.903 177 G HN 0.210 nan 8.290 nan 0.000 0.490 178 M N 0.887 120.658 119.600 0.286 0.000 2.264 178 M HA 0.700 5.180 4.480 -0.000 0.000 0.352 178 M C -0.202 176.332 176.300 0.391 0.000 1.173 178 M CA -0.877 54.603 55.300 0.299 0.000 1.075 178 M CB 1.527 34.248 32.600 0.202 0.000 1.621 178 M HN 1.261 nan 8.290 nan 0.000 0.457 179 V N 3.650 123.794 119.914 0.383 0.000 2.914 179 V HA 1.034 5.153 4.120 -0.000 0.000 0.314 179 V C -1.675 174.599 176.094 0.300 0.000 1.084 179 V CA -0.252 62.291 62.300 0.405 0.000 0.963 179 V CB 1.900 33.955 31.823 0.386 0.000 1.025 179 V HN 1.063 nan 8.190 nan 0.000 0.432 180 A N 4.963 127.974 122.820 0.318 0.000 2.488 180 A HA 0.942 5.261 4.320 -0.000 0.000 0.295 180 A C -1.191 176.581 177.584 0.313 0.000 1.045 180 A CA -0.390 51.764 52.037 0.195 0.000 0.703 180 A CB 1.339 20.410 19.000 0.119 0.000 1.271 180 A HN 1.966 nan 8.150 nan 0.000 0.400 181 F N -0.298 119.695 119.950 0.071 0.000 2.629 181 F HA 0.911 5.437 4.527 -0.000 0.000 0.316 181 F C -0.468 175.410 175.800 0.129 0.000 1.081 181 F CA -1.054 56.999 58.000 0.089 0.000 0.954 181 F CB 1.560 40.599 39.000 0.065 0.000 1.337 181 F HN 0.690 nan 8.300 nan 0.000 0.474 182 R N 0.881 121.563 120.500 0.304 0.000 2.750 182 R HA 0.378 4.718 4.340 -0.000 0.000 0.281 182 R C -1.429 174.936 176.300 0.108 0.000 0.972 182 R CA -0.828 55.356 56.100 0.140 0.000 0.912 182 R CB 1.689 32.022 30.300 0.055 0.000 1.187 182 R HN 0.963 nan 8.270 nan 0.000 0.464 183 D N 3.999 124.222 120.400 -0.295 0.000 2.423 183 D HA 0.001 4.641 4.640 -0.000 0.000 0.238 183 D C -1.559 174.577 176.300 -0.274 0.000 1.142 183 D CA -1.089 52.459 54.000 -0.753 0.000 0.884 183 D CB 0.617 40.613 40.800 -1.341 0.000 1.199 183 D HN 0.249 nan 8.370 nan 0.000 0.438 184 P HA -0.191 nan 4.420 nan 0.000 0.227 184 P C -0.032 177.205 177.300 -0.105 0.000 1.145 184 P CA 1.141 64.196 63.100 -0.075 0.000 0.769 184 P CB 0.040 31.724 31.700 -0.027 0.000 0.769 185 N N -1.414 117.183 118.700 -0.172 0.000 2.220 185 N HA 0.207 4.947 4.740 -0.000 0.000 0.195 185 N C 1.015 176.432 175.510 -0.154 0.000 1.123 185 N CA 0.553 53.505 53.050 -0.162 0.000 0.874 185 N CB 0.022 38.380 38.487 -0.214 0.000 0.995 185 N HN 0.006 nan 8.380 nan 0.000 0.498 186 G N 1.266 109.974 108.800 -0.152 0.000 2.305 186 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.287 186 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.287 186 G C 0.748 175.587 174.900 -0.101 0.000 1.036 186 G CA 0.496 45.533 45.100 -0.104 0.000 0.887 186 G HN 0.335 nan 8.290 nan 0.000 0.505 187 I N -0.662 119.808 120.570 -0.166 0.000 2.162 187 I HA 0.023 4.193 4.170 -0.000 0.000 0.238 187 I C 1.779 177.858 176.117 -0.063 0.000 1.076 187 I CA 0.862 62.076 61.300 -0.144 0.000 1.353 187 I CB -0.202 37.615 38.000 -0.306 0.000 1.063 187 I HN 0.129 nan 8.210 nan 0.000 0.408 188 R N 2.687 123.142 120.500 -0.075 0.000 2.340 188 R HA 0.247 4.587 4.340 -0.000 0.000 0.300 188 R C -2.288 174.013 176.300 0.002 0.000 1.069 188 R CA -1.857 54.231 56.100 -0.019 0.000 0.984 188 R CB -0.117 30.186 30.300 0.003 0.000 1.003 188 R HN 0.078 nan 8.270 nan 0.000 0.459 189 P HA 0.142 nan 4.420 nan 0.000 0.271 189 P C -0.772 176.560 177.300 0.054 0.000 1.216 189 P CA -0.304 62.822 63.100 0.044 0.000 0.776 189 P CB 0.965 32.688 31.700 0.038 0.000 0.881 190 L N 4.112 125.378 121.223 0.073 0.000 2.641 190 L HA 0.402 4.742 4.340 -0.000 0.000 0.261 190 L C -1.160 175.775 176.870 0.108 0.000 0.926 190 L CA -0.770 54.114 54.840 0.075 0.000 0.917 190 L CB 1.922 44.011 42.059 0.051 0.000 1.361 190 L HN 0.319 nan 8.230 nan 0.000 0.417 191 V N 2.183 122.173 119.914 0.127 0.000 2.914 191 V HA 0.827 4.947 4.120 -0.000 0.000 0.314 191 V C -1.239 174.914 176.094 0.098 0.000 1.084 191 V CA -0.843 61.559 62.300 0.170 0.000 0.963 191 V CB 1.899 33.943 31.823 0.367 0.000 1.025 191 V HN 0.822 nan 8.190 nan 0.000 0.432 192 L N 2.402 123.640 121.223 0.025 0.000 2.342 192 L HA 1.097 5.437 4.340 -0.000 0.000 0.271 192 L C 0.194 177.052 176.870 -0.021 0.000 1.008 192 L CA 0.565 55.412 54.840 0.011 0.000 0.818 192 L CB 1.698 43.753 42.059 -0.006 0.000 1.296 192 L HN 1.299 nan 8.230 nan 0.000 0.427 193 G N 2.605 111.465 108.800 0.101 0.000 2.649 193 G HA2 0.628 4.588 3.960 -0.000 0.000 0.290 193 G HA3 0.628 4.588 3.960 -0.000 0.000 0.290 193 G C -2.027 173.088 174.900 0.358 0.000 1.426 193 G CA -0.581 44.625 45.100 0.178 0.000 0.794 193 G HN 0.834 nan 8.290 nan 0.000 0.483 194 K N -1.319 119.280 120.400 0.332 0.000 2.469 194 K HA 0.852 5.172 4.320 -0.000 0.000 0.268 194 K C -0.935 175.545 176.600 -0.199 0.000 1.027 194 K CA -1.208 55.148 56.287 0.115 0.000 0.893 194 K CB 2.479 34.861 32.500 -0.197 0.000 1.460 194 K HN 0.515 nan 8.250 nan 0.000 0.449 195 R N 1.484 121.651 120.500 -0.556 0.000 2.797 195 R HA 0.158 4.498 4.340 -0.000 0.000 0.274 195 R C -1.313 174.724 176.300 -0.438 0.000 1.652 195 R CA -0.435 55.247 56.100 -0.696 0.000 1.175 195 R CB 0.666 30.186 30.300 -1.301 0.000 1.283 195 R HN 0.756 nan 8.270 nan 0.000 0.513 196 D N 4.727 124.945 120.400 -0.304 0.000 2.488 196 D HA -0.031 4.609 4.640 -0.000 0.000 0.238 196 D C 1.113 177.295 176.300 -0.198 0.000 1.138 196 D CA 0.230 54.096 54.000 -0.223 0.000 0.873 196 D CB 1.273 41.981 40.800 -0.153 0.000 1.183 196 D HN 0.385 nan 8.370 nan 0.000 0.458 197 I N 1.032 121.505 120.570 -0.161 0.000 2.947 197 I HA -0.047 4.123 4.170 -0.000 0.000 0.263 197 I C 0.891 176.954 176.117 -0.090 0.000 1.130 197 I CA 0.972 62.197 61.300 -0.125 0.000 1.448 197 I CB -0.321 37.614 38.000 -0.108 0.000 1.222 197 I HN 0.484 nan 8.210 nan 0.000 0.453 198 D N -1.353 119.000 120.400 -0.079 0.000 3.455 198 D HA 0.080 4.719 4.640 -0.000 0.000 0.320 198 D C 0.613 176.882 176.300 -0.053 0.000 1.401 198 D CA -0.477 53.488 54.000 -0.058 0.000 0.982 198 D CB 0.228 41.001 40.800 -0.046 0.000 1.397 198 D HN -0.107 nan 8.370 nan 0.000 0.607 199 E N -0.614 119.562 120.200 -0.040 0.000 2.233 199 E HA -0.157 4.193 4.350 -0.000 0.000 0.199 199 E C 0.561 177.141 176.600 -0.033 0.000 1.004 199 E CA 1.501 57.881 56.400 -0.033 0.000 0.819 199 E CB -0.211 29.474 29.700 -0.025 0.000 0.738 199 E HN 0.314 nan 8.360 nan 0.000 0.478 200 N N -0.713 117.965 118.700 -0.037 0.000 2.357 200 N HA 0.044 4.784 4.740 -0.000 0.000 0.260 200 N C -0.041 175.443 175.510 -0.042 0.000 1.035 200 N CA -0.112 52.918 53.050 -0.033 0.000 0.839 200 N CB 0.313 38.786 38.487 -0.022 0.000 1.723 200 N HN -0.106 nan 8.380 nan 0.000 0.617 201 R N 1.907 122.379 120.500 -0.047 0.000 2.446 201 R HA 0.209 4.549 4.340 -0.000 0.000 0.325 201 R C -0.555 175.680 176.300 -0.109 0.000 0.997 201 R CA 0.682 56.747 56.100 -0.058 0.000 1.010 201 R CB 0.009 30.280 30.300 -0.048 0.000 0.946 201 R HN -0.000 nan 8.270 nan 0.000 0.422 202 T N 3.142 117.604 114.554 -0.154 0.000 2.824 202 T HA 0.181 4.531 4.350 -0.000 0.000 0.282 202 T C -0.341 174.093 174.700 -0.444 0.000 0.993 202 T CA -0.763 61.146 62.100 -0.318 0.000 0.967 202 T CB 1.676 70.309 68.868 -0.390 0.000 0.960 202 T HN 0.435 nan 8.240 nan 0.000 0.441 203 E N 1.858 121.816 120.200 -0.402 0.000 2.313 203 E HA 0.361 4.711 4.350 -0.000 0.000 0.272 203 E C -1.158 175.319 176.600 -0.205 0.000 1.038 203 E CA -0.450 55.828 56.400 -0.203 0.000 0.863 203 E CB 0.982 30.633 29.700 -0.083 0.000 1.060 203 E HN 0.512 nan 8.360 nan 0.000 0.402 204 Y N 1.677 122.158 120.300 0.301 0.000 2.425 204 Y HA 0.388 4.938 4.550 -0.000 0.000 0.344 204 Y C 0.179 176.160 175.900 0.136 0.000 0.969 204 Y CA -0.901 57.354 58.100 0.258 0.000 1.052 204 Y CB 1.530 40.052 38.460 0.103 0.000 1.215 204 Y HN 0.432 nan 8.280 nan 0.000 0.451 205 M N 3.102 122.775 119.600 0.121 0.000 2.531 205 M HA 0.924 5.404 4.480 -0.000 0.000 0.286 205 M C -1.952 174.314 176.300 -0.057 0.000 1.232 205 M CA -1.033 54.175 55.300 -0.152 0.000 0.877 205 M CB 2.459 34.640 32.600 -0.698 0.000 1.726 205 M HN 0.361 nan 8.290 nan 0.000 0.463 206 V N -0.284 119.609 119.914 -0.036 0.000 2.914 206 V HA 1.101 5.221 4.120 -0.000 0.000 0.314 206 V C -0.687 175.401 176.094 -0.010 0.000 1.084 206 V CA -0.220 62.085 62.300 0.007 0.000 0.963 206 V CB 1.105 32.951 31.823 0.040 0.000 1.025 206 V HN 1.444 nan 8.190 nan 0.000 0.432 207 A N 1.430 124.262 122.820 0.019 0.000 2.594 207 A HA 0.656 4.976 4.320 -0.000 0.000 0.296 207 A C 0.457 178.067 177.584 0.043 0.000 1.056 207 A CA 0.136 52.182 52.037 0.016 0.000 0.693 207 A CB 1.060 20.060 19.000 -0.001 0.000 1.278 207 A HN 1.055 nan 8.150 nan 0.000 0.408 208 S N 0.166 115.885 115.700 0.031 0.000 2.387 208 S HA -0.090 4.380 4.470 -0.000 0.000 0.230 208 S C 0.594 175.232 174.600 0.063 0.000 1.035 208 S CA 2.054 60.280 58.200 0.043 0.000 1.014 208 S CB -0.169 63.047 63.200 0.027 0.000 0.836 208 S HN 0.696 nan 8.310 nan 0.000 0.466 209 E N -0.645 119.595 120.200 0.065 0.000 2.367 209 E HA 0.321 4.671 4.350 -0.000 0.000 0.273 209 E C 0.413 177.078 176.600 0.109 0.000 0.903 209 E CA -0.121 56.332 56.400 0.087 0.000 0.764 209 E CB 1.653 31.400 29.700 0.078 0.000 1.252 209 E HN 0.150 nan 8.360 nan 0.000 0.446 210 S N 0.000 115.785 115.700 0.141 0.000 2.447 210 S HA -0.159 4.311 4.470 -0.000 0.000 0.233 210 S C 2.002 176.683 174.600 0.135 0.000 1.006 210 S CA 1.111 59.413 58.200 0.170 0.000 0.957 210 S CB -0.686 62.597 63.200 0.139 0.000 0.773 210 S HN 0.453 nan 8.310 nan 0.000 0.507 211 V N 0.328 120.301 119.914 0.099 0.000 2.469 211 V HA -0.061 4.059 4.120 -0.000 0.000 0.251 211 V C 2.659 178.792 176.094 0.066 0.000 1.064 211 V CA 1.438 63.779 62.300 0.069 0.000 1.066 211 V CB -1.836 29.998 31.823 0.018 0.000 0.667 211 V HN 0.534 nan 8.190 nan 0.000 0.461 212 A N 0.451 123.307 122.820 0.061 0.000 2.015 212 A HA 0.063 4.382 4.320 -0.000 0.000 0.219 212 A C 2.239 179.845 177.584 0.037 0.000 1.163 212 A CA 1.817 53.874 52.037 0.033 0.000 0.646 212 A CB -0.450 18.553 19.000 0.006 0.000 0.806 212 A HN 0.555 nan 8.150 nan 0.000 0.448 213 L N -0.657 120.611 121.223 0.076 0.000 2.044 213 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 213 L C 2.090 179.063 176.870 0.172 0.000 1.075 213 L CA 1.570 56.486 54.840 0.126 0.000 0.747 213 L CB -1.206 40.978 42.059 0.209 0.000 0.903 213 L HN 0.281 nan 8.230 nan 0.000 0.435 214 D N 0.491 120.973 120.400 0.137 0.000 2.108 214 D HA -0.189 4.451 4.640 -0.000 0.000 0.190 214 D C 2.171 178.531 176.300 0.101 0.000 0.995 214 D CA 2.333 56.401 54.000 0.113 0.000 0.834 214 D CB -0.547 40.309 40.800 0.092 0.000 0.967 214 D HN 0.347 nan 8.370 nan 0.000 0.446 215 T N -0.291 114.313 114.554 0.083 0.000 2.759 215 T HA -0.116 4.234 4.350 -0.000 0.000 0.269 215 T C 1.987 176.748 174.700 0.103 0.000 1.042 215 T CA 0.696 62.840 62.100 0.074 0.000 1.140 215 T CB -0.437 68.464 68.868 0.055 0.000 0.864 215 T HN 0.138 nan 8.240 nan 0.000 0.455 216 L N 0.947 122.256 121.223 0.143 0.000 2.599 216 L HA 0.256 4.596 4.340 -0.000 0.000 0.230 216 L C 1.910 178.954 176.870 0.289 0.000 1.141 216 L CA 0.549 55.523 54.840 0.224 0.000 0.877 216 L CB -1.147 41.056 42.059 0.239 0.000 1.009 216 L HN 0.650 nan 8.230 nan 0.000 0.447 217 G N 0.470 109.390 108.800 0.199 0.000 2.221 217 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.265 217 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.265 217 G C -0.121 174.846 174.900 0.112 0.000 1.041 217 G CA -0.123 45.048 45.100 0.118 0.000 0.807 217 G HN 0.206 nan 8.290 nan 0.000 0.502 218 F N 0.865 120.833 119.950 0.031 0.000 2.422 218 F HA 0.415 4.942 4.527 -0.000 0.000 0.333 218 F C 0.647 176.477 175.800 0.050 0.000 1.095 218 F CA -0.894 57.123 58.000 0.029 0.000 1.038 218 F CB 1.154 40.180 39.000 0.043 0.000 1.156 218 F HN -0.004 nan 8.300 nan 0.000 0.483 219 D N 3.410 123.906 120.400 0.160 0.000 2.390 219 D HA 0.002 4.642 4.640 -0.000 0.000 0.249 219 D C -0.326 176.098 176.300 0.206 0.000 1.144 219 D CA 0.044 54.124 54.000 0.133 0.000 0.880 219 D CB 0.634 41.457 40.800 0.037 0.000 1.182 219 D HN 0.232 nan 8.370 nan 0.000 0.451 220 F N 2.749 122.738 119.950 0.066 0.000 2.538 220 F HA 0.056 4.583 4.527 -0.000 0.000 0.371 220 F C 0.446 176.280 175.800 0.058 0.000 1.087 220 F CA -0.030 58.006 58.000 0.061 0.000 1.250 220 F CB 0.440 39.444 39.000 0.006 0.000 1.110 220 F HN 0.277 nan 8.300 nan 0.000 0.570 221 L N 4.829 125.571 121.223 -0.801 0.000 2.546 221 L HA 0.360 4.700 4.340 -0.000 0.000 0.185 221 L C 0.299 176.558 176.870 -1.017 0.000 1.247 221 L CA -0.055 54.421 54.840 -0.607 0.000 0.848 221 L CB -0.102 41.798 42.059 -0.265 0.000 1.133 221 L HN 0.660 nan 8.230 nan 0.000 0.504 222 R N -0.876 119.016 120.500 -1.013 0.000 2.752 222 R HA 0.315 4.655 4.340 -0.000 0.000 0.277 222 R C -1.878 174.306 176.300 -0.193 0.000 1.024 222 R CA -0.888 54.866 56.100 -0.577 0.000 0.866 222 R CB 0.672 30.856 30.300 -0.193 0.000 1.278 222 R HN -0.134 nan 8.270 nan 0.000 0.473 223 D N 0.363 120.828 120.400 0.108 0.000 2.341 223 D HA 0.245 4.885 4.640 -0.000 0.000 0.245 223 D C -0.382 175.954 176.300 0.060 0.000 1.106 223 D CA -0.214 53.874 54.000 0.147 0.000 0.905 223 D CB 1.378 42.286 40.800 0.180 0.000 1.202 223 D HN 0.217 nan 8.370 nan 0.000 0.426 224 V N 2.303 122.254 119.914 0.061 0.000 2.479 224 V HA 0.253 4.373 4.120 -0.000 0.000 0.281 224 V C 0.627 176.747 176.094 0.043 0.000 1.031 224 V CA -0.363 61.965 62.300 0.047 0.000 1.038 224 V CB 0.430 32.291 31.823 0.062 0.000 0.981 224 V HN 0.717 nan 8.190 nan 0.000 0.478 225 A N 8.699 131.536 122.820 0.028 0.000 2.507 225 A HA 0.376 4.696 4.320 -0.000 0.000 0.235 225 A C -2.206 175.387 177.584 0.014 0.000 1.070 225 A CA -0.900 51.147 52.037 0.017 0.000 0.768 225 A CB -0.364 18.638 19.000 0.003 0.000 1.011 225 A HN 0.706 nan 8.150 nan 0.000 0.502 226 P HA 0.200 nan 4.420 nan 0.000 0.264 226 P C 1.095 178.392 177.300 -0.005 0.000 1.183 226 P CA 1.972 65.060 63.100 -0.020 0.000 0.763 226 P CB 0.548 32.223 31.700 -0.042 0.000 0.807 227 G N 1.550 110.357 108.800 0.012 0.000 2.196 227 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.268 227 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.268 227 G C 0.324 175.258 174.900 0.057 0.000 0.975 227 G CA 0.352 45.480 45.100 0.046 0.000 0.648 227 G HN 0.632 nan 8.290 nan 0.000 0.538 228 E N 0.490 120.721 120.200 0.051 0.000 2.374 228 E HA 0.615 4.965 4.350 -0.000 0.000 0.260 228 E C 0.255 176.920 176.600 0.108 0.000 1.101 228 E CA -0.028 56.389 56.400 0.029 0.000 0.907 228 E CB 0.734 30.441 29.700 0.012 0.000 1.014 228 E HN 0.858 nan 8.360 nan 0.000 0.427 229 A N 4.535 127.392 122.820 0.062 0.000 2.356 229 A HA 0.502 4.822 4.320 -0.000 0.000 0.310 229 A C -1.099 176.641 177.584 0.261 0.000 1.075 229 A CA -0.763 51.413 52.037 0.231 0.000 0.746 229 A CB 0.869 20.036 19.000 0.279 0.000 1.221 229 A HN 0.494 nan 8.150 nan 0.000 0.443 230 I N 1.951 122.729 120.570 0.346 0.000 2.460 230 I HA 0.404 4.573 4.170 -0.000 0.000 0.298 230 I C -1.018 175.394 176.117 0.490 0.000 0.989 230 I CA -0.457 61.036 61.300 0.322 0.000 1.173 230 I CB 1.444 39.545 38.000 0.168 0.000 1.338 230 I HN 0.708 nan 8.210 nan 0.000 0.456 231 Y N 6.833 127.327 120.300 0.323 0.000 2.332 231 Y HA 0.567 5.117 4.550 -0.000 0.000 0.325 231 Y C -1.412 174.577 175.900 0.149 0.000 1.054 231 Y CA -1.232 57.018 58.100 0.249 0.000 1.119 231 Y CB 1.184 39.755 38.460 0.187 0.000 1.168 231 Y HN 0.406 nan 8.280 nan 0.000 0.439 232 I N 5.875 126.277 120.570 -0.279 0.000 2.354 232 I HA 0.390 4.560 4.170 -0.000 0.000 0.292 232 I C 0.509 176.283 176.117 -0.571 0.000 0.989 232 I CA -0.406 60.648 61.300 -0.411 0.000 1.188 232 I CB 1.951 39.842 38.000 -0.181 0.000 1.342 232 I HN 0.728 nan 8.210 nan 0.000 0.457 233 T N 0.650 114.848 114.554 -0.594 0.000 2.788 233 T HA 0.252 4.601 4.350 -0.000 0.000 0.280 233 T C 0.915 175.547 174.700 -0.113 0.000 0.984 233 T CA -0.509 61.371 62.100 -0.366 0.000 0.972 233 T CB 0.918 69.682 68.868 -0.174 0.000 1.039 233 T HN 0.625 nan 8.240 nan 0.000 0.530 234 E N 0.232 120.418 120.200 -0.022 0.000 2.204 234 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 234 E C 1.648 178.247 176.600 -0.002 0.000 0.989 234 E CA 1.092 57.497 56.400 0.008 0.000 0.824 234 E CB -0.001 29.704 29.700 0.008 0.000 0.756 234 E HN 0.706 nan 8.360 nan 0.000 0.477 235 E N -0.950 119.239 120.200 -0.018 0.000 2.502 235 E HA 0.055 4.405 4.350 -0.000 0.000 0.194 235 E C 1.037 177.627 176.600 -0.016 0.000 1.062 235 E CA 0.590 56.981 56.400 -0.014 0.000 0.867 235 E CB 0.512 30.205 29.700 -0.012 0.000 0.888 235 E HN 0.341 nan 8.360 nan 0.000 0.510 236 G N 0.400 109.186 108.800 -0.025 0.000 2.179 236 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.220 236 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.220 236 G C 0.001 174.872 174.900 -0.048 0.000 0.990 236 G CA -0.285 44.823 45.100 0.013 0.000 0.646 236 G HN 0.288 nan 8.290 nan 0.000 0.517 237 Q N -0.162 119.520 119.800 -0.197 0.000 2.313 237 Q HA 0.590 4.930 4.340 -0.000 0.000 0.266 237 Q C -0.008 175.601 176.000 -0.651 0.000 0.989 237 Q CA -0.201 55.346 55.803 -0.426 0.000 0.890 237 Q CB 1.655 30.068 28.738 -0.541 0.000 1.200 237 Q HN 0.397 nan 8.270 nan 0.000 0.396 238 L N 3.821 124.638 121.223 -0.677 0.000 2.265 238 L HA 0.502 4.842 4.340 -0.000 0.000 0.289 238 L C -1.698 174.858 176.870 -0.525 0.000 1.033 238 L CA 0.045 54.511 54.840 -0.623 0.000 0.814 238 L CB 0.266 41.917 42.059 -0.681 0.000 1.203 238 L HN 0.423 nan 8.230 nan 0.000 0.423 239 F N 2.449 122.419 119.950 0.033 0.000 2.508 239 F HA 0.767 5.293 4.527 -0.000 0.000 0.325 239 F C 0.463 176.455 175.800 0.320 0.000 1.090 239 F CA -0.501 57.642 58.000 0.239 0.000 0.945 239 F CB 2.316 41.597 39.000 0.469 0.000 1.156 239 F HN 0.530 nan 8.300 nan 0.000 0.463 240 T N 0.839 115.569 114.554 0.293 0.000 2.906 240 T HA 0.799 5.148 4.350 -0.000 0.000 0.295 240 T C -1.071 173.402 174.700 -0.379 0.000 1.061 240 T CA -0.871 61.222 62.100 -0.011 0.000 1.000 240 T CB 2.480 71.340 68.868 -0.013 0.000 1.103 240 T HN 0.838 nan 8.240 nan 0.000 0.486 241 R N 1.340 121.455 120.500 -0.643 0.000 2.604 241 R HA 0.340 4.680 4.340 -0.000 0.000 0.261 241 R C -1.661 174.411 176.300 -0.379 0.000 1.080 241 R CA -0.635 55.085 56.100 -0.634 0.000 0.917 241 R CB 1.960 31.601 30.300 -1.099 0.000 1.252 241 R HN 0.704 nan 8.270 nan 0.000 0.456 242 Q N 2.335 122.006 119.800 -0.215 0.000 2.296 242 Q HA 0.180 4.520 4.340 -0.000 0.000 0.263 242 Q C -0.699 175.240 176.000 -0.101 0.000 1.026 242 Q CA 0.316 56.049 55.803 -0.116 0.000 0.912 242 Q CB 0.667 29.361 28.738 -0.075 0.000 1.198 242 Q HN 0.679 nan 8.270 nan 0.000 0.407 243 C N 3.467 122.731 119.300 -0.059 0.000 3.000 243 C HA 0.757 5.217 4.460 -0.000 0.000 0.286 243 C C 0.417 175.408 174.990 0.002 0.000 1.343 243 C CA -0.090 58.912 59.018 -0.027 0.000 1.742 243 C CB -0.981 26.749 27.740 -0.017 0.000 2.200 243 C HN 0.800 nan 8.230 nan 0.000 0.621 244 A N 0.481 123.303 122.820 0.004 0.000 2.340 244 A HA 0.524 4.844 4.320 -0.000 0.000 0.331 244 A C 0.584 178.169 177.584 0.002 0.000 1.140 244 A CA -0.174 51.872 52.037 0.015 0.000 0.801 244 A CB 0.767 19.777 19.000 0.017 0.000 1.234 244 A HN 0.257 nan 8.150 nan 0.000 0.469 245 D N 0.786 121.189 120.400 0.006 0.000 2.095 245 D HA -0.107 4.533 4.640 -0.000 0.000 0.192 245 D C -0.076 176.221 176.300 -0.005 0.000 0.990 245 D CA 1.829 55.829 54.000 0.001 0.000 0.836 245 D CB 0.050 40.853 40.800 0.004 0.000 0.979 245 D HN 0.656 nan 8.370 nan 0.000 0.447 246 N N 0.966 119.663 118.700 -0.006 0.000 2.762 246 N HA 0.209 4.949 4.740 -0.000 0.000 0.252 246 N C -2.516 172.984 175.510 -0.017 0.000 1.269 246 N CA -0.803 52.240 53.050 -0.011 0.000 0.799 246 N CB 2.291 40.772 38.487 -0.010 0.000 1.173 246 N HN 0.044 nan 8.380 nan 0.000 0.516 247 P HA 0.174 nan 4.420 nan 0.000 0.272 247 P C -0.732 176.548 177.300 -0.034 0.000 1.230 247 P CA -0.211 62.872 63.100 -0.028 0.000 0.788 247 P CB 1.507 33.193 31.700 -0.023 0.000 0.949 248 V N 0.117 120.004 119.914 -0.047 0.000 3.098 248 V HA 0.263 4.383 4.120 -0.000 0.000 0.294 248 V C -0.873 175.179 176.094 -0.070 0.000 1.351 248 V CA -0.576 61.693 62.300 -0.052 0.000 0.999 248 V CB 2.289 34.083 31.823 -0.049 0.000 1.104 248 V HN 0.661 nan 8.190 nan 0.000 0.438 249 S N 4.700 120.353 115.700 -0.078 0.000 2.400 249 S HA 0.503 4.973 4.470 -0.000 0.000 0.295 249 S C 0.003 174.514 174.600 -0.147 0.000 1.113 249 S CA -0.246 57.894 58.200 -0.099 0.000 1.064 249 S CB -0.522 62.623 63.200 -0.092 0.000 0.990 249 S HN 0.780 nan 8.310 nan 0.000 0.502 250 N N 5.327 123.946 118.700 -0.136 0.000 2.813 250 N HA 0.246 4.986 4.740 -0.000 0.000 0.282 250 N C -2.985 172.472 175.510 -0.088 0.000 1.748 250 N CA -1.353 51.612 53.050 -0.141 0.000 0.860 250 N CB 1.322 39.755 38.487 -0.090 0.000 1.204 250 N HN 0.344 nan 8.380 nan 0.000 0.490 251 P HA -0.103 nan 4.420 nan 0.000 0.266 251 P C 0.075 177.533 177.300 0.263 0.000 1.193 251 P CA -0.205 62.951 63.100 0.092 0.000 0.770 251 P CB 0.572 32.382 31.700 0.184 0.000 0.836 252 C N 5.416 124.852 119.300 0.227 0.000 2.663 252 C HA 0.060 4.520 4.460 -0.000 0.000 0.398 252 C C 1.971 177.228 174.990 0.445 0.000 1.356 252 C CA -0.198 58.986 59.018 0.276 0.000 1.629 252 C CB -2.163 25.677 27.740 0.167 0.000 2.402 252 C HN 0.591 nan 8.230 nan 0.000 0.598 253 L N 6.148 127.703 121.223 0.553 0.000 2.079 253 L HA 0.002 4.341 4.340 -0.000 0.000 0.210 253 L C 1.791 179.002 176.870 0.570 0.000 1.081 253 L CA 1.973 57.167 54.840 0.590 0.000 0.752 253 L CB -1.128 41.192 42.059 0.434 0.000 0.896 253 L HN 0.802 nan 8.230 nan 0.000 0.433 254 F N 0.297 120.432 119.950 0.308 0.000 2.333 254 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 254 F C 2.335 178.268 175.800 0.221 0.000 1.083 254 F CA 1.103 59.257 58.000 0.257 0.000 1.395 254 F CB -0.205 38.881 39.000 0.143 0.000 1.056 254 F HN 0.218 nan 8.300 nan 0.000 0.529 255 E N -0.623 119.649 120.200 0.120 0.000 2.077 255 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 255 E C 2.162 178.626 176.600 -0.227 0.000 0.989 255 E CA 1.614 57.959 56.400 -0.091 0.000 0.800 255 E CB -0.641 28.909 29.700 -0.251 0.000 0.746 255 E HN 0.506 nan 8.360 nan 0.000 0.452 256 Y N 0.167 120.519 120.300 0.087 0.000 2.243 256 Y HA -0.116 4.434 4.550 -0.000 0.000 0.293 256 Y C 2.564 178.458 175.900 -0.009 0.000 1.124 256 Y CA 0.501 58.617 58.100 0.027 0.000 1.159 256 Y CB -0.758 37.722 38.460 0.033 0.000 1.008 256 Y HN -0.174 nan 8.280 nan 0.000 0.527 257 V N -1.117 118.910 119.914 0.190 0.000 2.332 257 V HA -0.295 3.824 4.120 -0.000 0.000 0.248 257 V C 1.523 177.643 176.094 0.044 0.000 1.055 257 V CA 2.630 65.017 62.300 0.146 0.000 1.038 257 V CB -0.563 31.468 31.823 0.347 0.000 0.651 257 V HN 0.639 nan 8.190 nan 0.000 0.450 258 Y N -3.212 116.864 120.300 -0.372 0.000 2.855 258 Y HA 0.143 4.693 4.550 -0.000 0.000 0.251 258 Y C 1.673 177.367 175.900 -0.345 0.000 1.152 258 Y CA -0.259 57.592 58.100 -0.414 0.000 1.201 258 Y CB -0.238 37.849 38.460 -0.621 0.000 1.392 258 Y HN 0.038 nan 8.280 nan 0.000 0.470 259 F N 2.641 122.119 119.950 -0.788 0.000 2.043 259 F HA -0.031 4.496 4.527 -0.000 0.000 0.297 259 F C 1.682 177.270 175.800 -0.353 0.000 1.118 259 F CA 1.864 59.508 58.000 -0.593 0.000 1.202 259 F CB -0.889 37.944 39.000 -0.279 0.000 0.965 259 F HN 0.153 nan 8.300 nan 0.000 0.482 260 A N 0.318 123.056 122.820 -0.137 0.000 2.346 260 A HA 0.321 4.641 4.320 -0.000 0.000 0.252 260 A C 0.403 177.858 177.584 -0.215 0.000 1.089 260 A CA -0.427 51.559 52.037 -0.085 0.000 0.797 260 A CB 0.100 19.041 19.000 -0.099 0.000 1.047 260 A HN 0.369 nan 8.150 nan 0.000 0.494 261 R N 0.910 121.268 120.500 -0.237 0.000 2.441 261 R HA 0.241 4.581 4.340 -0.000 0.000 0.284 261 R C -1.511 174.644 176.300 -0.242 0.000 1.070 261 R CA -1.544 54.307 56.100 -0.415 0.000 1.047 261 R CB 0.790 30.776 30.300 -0.523 0.000 1.016 261 R HN 0.579 nan 8.270 nan 0.000 0.477 262 P HA -0.177 nan 4.420 nan 0.000 0.218 262 P C 0.010 177.183 177.300 -0.212 0.000 1.148 262 P CA 1.331 64.355 63.100 -0.126 0.000 0.822 262 P CB 0.137 31.823 31.700 -0.024 0.000 0.784 263 D N -0.839 119.419 120.400 -0.236 0.000 2.338 263 D HA 0.029 4.669 4.640 -0.000 0.000 0.239 263 D C 0.165 176.302 176.300 -0.273 0.000 1.095 263 D CA 0.069 53.917 54.000 -0.254 0.000 0.888 263 D CB -0.494 40.217 40.800 -0.149 0.000 0.899 263 D HN 0.031 nan 8.370 nan 0.000 0.525 264 S N -0.293 115.218 115.700 -0.314 0.000 2.608 264 S HA 0.539 5.009 4.470 -0.000 0.000 0.291 264 S C -0.606 173.748 174.600 -0.409 0.000 1.146 264 S CA -0.675 57.413 58.200 -0.185 0.000 1.043 264 S CB 0.752 63.906 63.200 -0.077 0.000 1.037 264 S HN 0.075 nan 8.310 nan 0.000 0.520 265 F N 2.036 121.952 119.950 -0.056 0.000 2.434 265 F HA 0.508 5.035 4.527 -0.000 0.000 0.355 265 F C -0.137 175.672 175.800 0.015 0.000 1.115 265 F CA -0.639 57.334 58.000 -0.045 0.000 1.010 265 F CB 0.567 39.446 39.000 -0.201 0.000 1.234 265 F HN 0.280 nan 8.300 nan 0.000 0.439 266 I N 3.588 124.310 120.570 0.254 0.000 2.330 266 I HA 0.251 4.421 4.170 -0.000 0.000 0.289 266 I C -0.298 176.028 176.117 0.348 0.000 1.001 266 I CA -0.620 60.831 61.300 0.253 0.000 1.193 266 I CB 1.182 39.238 38.000 0.093 0.000 1.345 266 I HN 0.599 nan 8.210 nan 0.000 0.461 267 D N 6.125 126.687 120.400 0.269 0.000 2.716 267 D HA -0.181 4.459 4.640 -0.000 0.000 0.239 267 D C 0.376 176.800 176.300 0.206 0.000 1.125 267 D CA 0.676 54.809 54.000 0.221 0.000 0.681 267 D CB -0.534 40.383 40.800 0.196 0.000 1.070 267 D HN 0.842 nan 8.370 nan 0.000 0.432 268 K N -2.084 118.450 120.400 0.225 0.000 3.349 268 K HA -0.226 4.094 4.320 -0.000 0.000 0.310 268 K C 0.345 177.064 176.600 0.198 0.000 1.267 268 K CA 1.089 57.488 56.287 0.188 0.000 0.920 268 K CB -1.174 31.414 32.500 0.147 0.000 1.240 268 K HN 0.478 nan 8.250 nan 0.000 0.453 269 I N 0.922 121.637 120.570 0.242 0.000 2.404 269 I HA 0.109 4.279 4.170 -0.000 0.000 0.293 269 I C 0.406 176.665 176.117 0.236 0.000 0.992 269 I CA -0.631 60.792 61.300 0.204 0.000 1.149 269 I CB 1.886 39.944 38.000 0.096 0.000 1.315 269 I HN 0.009 nan 8.210 nan 0.000 0.446 270 S N 4.427 120.208 115.700 0.134 0.000 2.465 270 S HA 0.204 4.674 4.470 -0.000 0.000 0.279 270 S C 1.119 175.679 174.600 -0.066 0.000 1.201 270 S CA -0.721 57.387 58.200 -0.153 0.000 1.053 270 S CB 1.019 64.147 63.200 -0.120 0.000 0.953 270 S HN 0.425 nan 8.310 nan 0.000 0.488 271 V N 6.297 126.157 119.914 -0.090 0.000 2.490 271 V HA -0.132 3.988 4.120 -0.000 0.000 0.250 271 V C 1.814 177.907 176.094 -0.001 0.000 1.061 271 V CA 1.845 64.174 62.300 0.050 0.000 1.064 271 V CB -1.257 30.552 31.823 -0.024 0.000 0.670 271 V HN 0.984 nan 8.190 nan 0.000 0.461 272 Y N 1.853 122.036 120.300 -0.195 0.000 2.145 272 Y HA -0.239 4.311 4.550 -0.000 0.000 0.286 272 Y C 2.720 178.560 175.900 -0.100 0.000 1.145 272 Y CA 1.807 59.815 58.100 -0.152 0.000 1.148 272 Y CB -0.468 37.883 38.460 -0.182 0.000 0.981 272 Y HN 0.231 nan 8.280 nan 0.000 0.507 273 S N 0.473 116.055 115.700 -0.195 0.000 2.368 273 S HA -0.137 4.333 4.470 -0.000 0.000 0.224 273 S C 2.310 176.794 174.600 -0.193 0.000 1.029 273 S CA 0.950 59.007 58.200 -0.238 0.000 0.988 273 S CB -0.880 62.270 63.200 -0.084 0.000 0.838 273 S HN 0.623 nan 8.310 nan 0.000 0.462 274 A N 2.296 125.044 122.820 -0.120 0.000 1.908 274 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 274 A C 2.191 179.706 177.584 -0.115 0.000 1.181 274 A CA 1.361 53.330 52.037 -0.112 0.000 0.627 274 A CB -0.470 18.487 19.000 -0.072 0.000 0.818 274 A HN 0.417 nan 8.150 nan 0.000 0.445 275 R N -0.771 119.661 120.500 -0.114 0.000 2.075 275 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 275 R C 2.059 178.261 176.300 -0.163 0.000 1.126 275 R CA 1.400 57.435 56.100 -0.109 0.000 0.963 275 R CB -0.655 29.600 30.300 -0.075 0.000 0.858 275 R HN 0.402 nan 8.270 nan 0.000 0.435 276 V N 2.168 121.916 119.914 -0.276 0.000 2.343 276 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 276 V C 1.759 177.747 176.094 -0.178 0.000 1.051 276 V CA 1.794 63.932 62.300 -0.270 0.000 1.036 276 V CB -0.618 30.967 31.823 -0.397 0.000 0.654 276 V HN 0.316 nan 8.190 nan 0.000 0.451 277 N N -0.015 118.584 118.700 -0.169 0.000 2.104 277 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 277 N C 1.787 177.229 175.510 -0.114 0.000 1.024 277 N CA 1.720 54.693 53.050 -0.129 0.000 0.853 277 N CB -0.402 38.010 38.487 -0.126 0.000 1.008 277 N HN 0.447 nan 8.380 nan 0.000 0.424 278 M N -0.219 119.314 119.600 -0.112 0.000 2.086 278 M HA -0.054 4.426 4.480 -0.000 0.000 0.261 278 M C 2.229 178.479 176.300 -0.084 0.000 1.067 278 M CA 1.698 56.941 55.300 -0.095 0.000 1.116 278 M CB -0.603 31.953 32.600 -0.075 0.000 1.348 278 M HN 0.190 nan 8.290 nan 0.000 0.407 279 G N -0.395 108.356 108.800 -0.082 0.000 2.432 279 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.219 279 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.219 279 G C 1.426 176.283 174.900 -0.070 0.000 1.135 279 G CA 1.508 46.567 45.100 -0.068 0.000 0.767 279 G HN 0.415 nan 8.290 nan 0.000 0.550 280 T N 1.160 115.665 114.554 -0.082 0.000 2.737 280 T HA -0.043 4.307 4.350 -0.000 0.000 0.265 280 T C 2.349 177.007 174.700 -0.071 0.000 1.038 280 T CA 1.137 63.193 62.100 -0.073 0.000 1.144 280 T CB -0.090 68.732 68.868 -0.077 0.000 0.866 280 T HN 0.119 nan 8.240 nan 0.000 0.434 281 K N 0.856 121.208 120.400 -0.080 0.000 2.097 281 K HA 0.043 4.363 4.320 -0.000 0.000 0.206 281 K C 2.217 178.764 176.600 -0.088 0.000 1.049 281 K CA 0.706 56.943 56.287 -0.082 0.000 0.933 281 K CB -0.719 31.725 32.500 -0.092 0.000 0.717 281 K HN 0.207 nan 8.250 nan 0.000 0.442 282 L N 0.792 121.962 121.223 -0.087 0.000 2.072 282 L HA 0.010 4.350 4.340 -0.000 0.000 0.205 282 L C 2.159 178.971 176.870 -0.096 0.000 1.079 282 L CA 1.898 56.679 54.840 -0.100 0.000 0.752 282 L CB -1.184 40.825 42.059 -0.084 0.000 0.906 282 L HN 0.198 nan 8.230 nan 0.000 0.436 283 G N -1.151 107.608 108.800 -0.068 0.000 2.418 283 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.217 283 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.217 283 G C 1.476 176.345 174.900 -0.053 0.000 1.158 283 G CA 0.786 45.857 45.100 -0.048 0.000 0.771 283 G HN 0.499 nan 8.290 nan 0.000 0.545 284 E N -0.233 119.931 120.200 -0.060 0.000 2.152 284 E HA -0.019 4.331 4.350 -0.000 0.000 0.192 284 E C 2.382 178.941 176.600 -0.070 0.000 0.983 284 E CA 0.446 56.812 56.400 -0.055 0.000 0.818 284 E CB 0.021 29.689 29.700 -0.053 0.000 0.758 284 E HN 0.244 nan 8.360 nan 0.000 0.467 285 K N 1.035 121.376 120.400 -0.099 0.000 2.031 285 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 285 K C 2.016 178.512 176.600 -0.173 0.000 1.049 285 K CA 0.861 57.068 56.287 -0.134 0.000 0.939 285 K CB -0.073 32.330 32.500 -0.163 0.000 0.717 285 K HN 0.134 nan 8.250 nan 0.000 0.438 286 I N 1.151 121.610 120.570 -0.184 0.000 2.226 286 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 286 I C 2.471 178.572 176.117 -0.027 0.000 1.100 286 I CA 1.185 62.382 61.300 -0.173 0.000 1.374 286 I CB -0.434 37.512 38.000 -0.090 0.000 1.057 286 I HN 0.099 nan 8.210 nan 0.000 0.413 287 A N 0.986 123.792 122.820 -0.023 0.000 2.024 287 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 287 A C 2.384 179.972 177.584 0.006 0.000 1.164 287 A CA 1.698 53.736 52.037 0.003 0.000 0.643 287 A CB -0.446 18.549 19.000 -0.009 0.000 0.806 287 A HN 0.419 nan 8.150 nan 0.000 0.451 288 R N -1.129 119.362 120.500 -0.015 0.000 2.142 288 R HA 0.067 4.407 4.340 -0.000 0.000 0.204 288 R C 1.722 178.028 176.300 0.010 0.000 1.059 288 R CA 0.740 56.836 56.100 -0.007 0.000 1.055 288 R CB -0.133 30.153 30.300 -0.023 0.000 0.976 288 R HN 0.413 nan 8.270 nan 0.000 0.483 289 E N -0.194 119.993 120.200 -0.022 0.000 2.216 289 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 289 E C 0.784 177.504 176.600 0.200 0.000 0.988 289 E CA 0.782 57.184 56.400 0.003 0.000 0.834 289 E CB 0.151 29.760 29.700 -0.153 0.000 0.772 289 E HN 0.403 nan 8.360 nan 0.000 0.479 290 W N 1.421 122.686 121.300 -0.060 0.000 2.870 290 W HA 0.140 4.800 4.660 -0.000 0.000 0.358 290 W C 1.470 177.936 176.519 -0.089 0.000 1.043 290 W CA -0.542 56.748 57.345 -0.092 0.000 1.692 290 W CB 0.150 29.526 29.460 -0.139 0.000 1.100 290 W HN 0.152 nan 8.180 nan 0.000 0.557 291 E N 1.131 121.412 120.200 0.134 0.000 2.217 291 E HA -0.331 4.019 4.350 -0.000 0.000 0.219 291 E C 0.789 177.405 176.600 0.027 0.000 1.070 291 E CA 2.618 59.055 56.400 0.061 0.000 0.889 291 E CB -1.168 28.556 29.700 0.040 0.000 0.768 291 E HN 0.215 nan 8.360 nan 0.000 0.465 292 D N 0.012 120.422 120.400 0.017 0.000 2.355 292 D HA 0.119 4.759 4.640 -0.000 0.000 0.253 292 D C -0.297 175.970 176.300 -0.055 0.000 1.187 292 D CA 0.107 54.099 54.000 -0.013 0.000 0.900 292 D CB -0.128 40.667 40.800 -0.009 0.000 0.915 292 D HN 0.163 nan 8.370 nan 0.000 0.516 293 L N 0.164 121.339 121.223 -0.080 0.000 2.334 293 L HA 0.402 4.742 4.340 -0.000 0.000 0.272 293 L C -0.609 176.198 176.870 -0.105 0.000 1.020 293 L CA -0.841 53.897 54.840 -0.170 0.000 0.812 293 L CB 1.965 43.802 42.059 -0.370 0.000 1.264 293 L HN -0.171 nan 8.230 nan 0.000 0.439 294 D N 2.883 123.228 120.400 -0.091 0.000 2.414 294 D HA 0.402 5.042 4.640 -0.000 0.000 0.232 294 D C -1.234 175.086 176.300 0.033 0.000 1.070 294 D CA -0.249 53.741 54.000 -0.015 0.000 0.839 294 D CB 0.589 41.395 40.800 0.009 0.000 1.079 294 D HN 0.139 nan 8.370 nan 0.000 0.521 295 I N 3.128 123.719 120.570 0.035 0.000 2.465 295 I HA 0.260 4.430 4.170 -0.000 0.000 0.291 295 I C 0.250 176.404 176.117 0.062 0.000 1.014 295 I CA -0.601 60.752 61.300 0.087 0.000 1.093 295 I CB 1.766 39.816 38.000 0.083 0.000 1.267 295 I HN 0.264 nan 8.210 nan 0.000 0.431 296 D N 3.278 123.715 120.400 0.061 0.000 2.301 296 D HA 0.131 4.771 4.640 -0.000 0.000 0.206 296 D C 0.351 176.653 176.300 0.002 0.000 0.979 296 D CA 0.976 54.989 54.000 0.023 0.000 0.874 296 D CB 1.030 41.836 40.800 0.010 0.000 0.968 296 D HN 0.244 nan 8.370 nan 0.000 0.510 297 V N -0.173 119.744 119.914 0.005 0.000 3.120 297 V HA 0.386 4.506 4.120 -0.000 0.000 0.303 297 V C -1.719 174.378 176.094 0.004 0.000 1.238 297 V CA -0.859 61.423 62.300 -0.030 0.000 1.008 297 V CB 2.435 34.183 31.823 -0.124 0.000 1.064 297 V HN -0.273 nan 8.190 nan 0.000 0.434 298 V N 6.501 126.419 119.914 0.007 0.000 2.357 298 V HA 0.568 4.688 4.120 -0.000 0.000 0.284 298 V C -0.319 175.763 176.094 -0.019 0.000 1.018 298 V CA -0.270 62.063 62.300 0.054 0.000 0.841 298 V CB 1.314 33.206 31.823 0.116 0.000 0.991 298 V HN 0.624 nan 8.190 nan 0.000 0.437 299 I N 8.228 128.799 120.570 0.002 0.000 2.382 299 I HA 0.407 4.577 4.170 -0.000 0.000 0.286 299 I C -2.264 173.911 176.117 0.096 0.000 1.002 299 I CA -1.966 59.306 61.300 -0.047 0.000 1.135 299 I CB 2.665 40.633 38.000 -0.053 0.000 1.288 299 I HN 0.429 nan 8.210 nan 0.000 0.448 300 P HA 0.236 nan 4.420 nan 0.000 0.277 300 P C -0.559 176.851 177.300 0.183 0.000 1.240 300 P CA -0.165 63.029 63.100 0.157 0.000 0.798 300 P CB 1.331 33.161 31.700 0.218 0.000 0.979 301 I N 4.067 124.720 120.570 0.138 0.000 2.287 301 I HA 0.199 4.369 4.170 -0.000 0.000 0.290 301 I C -2.006 174.155 176.117 0.073 0.000 1.069 301 I CA -2.555 58.792 61.300 0.077 0.000 1.237 301 I CB 0.688 38.681 38.000 -0.012 0.000 1.418 301 I HN 0.118 nan 8.210 nan 0.000 0.481 302 P HA -0.034 nan 4.420 nan 0.000 0.266 302 P C 0.286 177.619 177.300 0.055 0.000 1.193 302 P CA 0.215 63.364 63.100 0.080 0.000 0.770 302 P CB 0.914 32.667 31.700 0.088 0.000 0.836 303 E N 0.189 120.421 120.200 0.054 0.000 2.399 303 E HA -0.035 4.315 4.350 -0.000 0.000 0.205 303 E C 1.172 177.798 176.600 0.044 0.000 0.906 303 E CA 0.302 56.728 56.400 0.043 0.000 0.998 303 E CB 0.034 29.737 29.700 0.006 0.000 1.002 303 E HN 0.306 nan 8.360 nan 0.000 0.501 304 T N 0.433 115.021 114.554 0.056 0.000 2.720 304 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 304 T C 1.926 176.664 174.700 0.063 0.000 1.037 304 T CA 1.728 63.857 62.100 0.048 0.000 1.144 304 T CB -0.277 68.671 68.868 0.133 0.000 0.864 304 T HN 0.247 nan 8.240 nan 0.000 0.444 305 S N 0.569 116.320 115.700 0.085 0.000 2.481 305 S HA -0.078 4.392 4.470 -0.000 0.000 0.231 305 S C 2.278 176.943 174.600 0.108 0.000 0.996 305 S CA 0.479 58.731 58.200 0.087 0.000 0.942 305 S CB -1.172 62.083 63.200 0.091 0.000 0.768 305 S HN 0.565 nan 8.310 nan 0.000 0.520 306 C N 2.806 122.184 119.300 0.130 0.000 2.318 306 C HA -0.205 4.255 4.460 -0.000 0.000 0.272 306 C C 2.631 177.695 174.990 0.123 0.000 1.156 306 C CA 1.494 60.629 59.018 0.194 0.000 1.783 306 C CB -1.307 26.543 27.740 0.183 0.000 2.023 306 C HN 0.610 nan 8.230 nan 0.000 0.437 307 D N 0.268 120.705 120.400 0.062 0.000 2.117 307 D HA -0.088 4.551 4.640 -0.000 0.000 0.197 307 D C 1.932 178.201 176.300 -0.053 0.000 0.987 307 D CA 1.226 55.225 54.000 -0.002 0.000 0.829 307 D CB -0.449 40.391 40.800 0.066 0.000 0.961 307 D HN 0.532 nan 8.370 nan 0.000 0.460 308 I N 1.558 122.115 120.570 -0.022 0.000 2.118 308 I HA -0.323 3.847 4.170 -0.000 0.000 0.241 308 I C 2.621 178.739 176.117 0.001 0.000 1.070 308 I CA 1.395 62.678 61.300 -0.028 0.000 1.327 308 I CB -0.344 37.656 38.000 0.000 0.000 1.034 308 I HN -0.063 nan 8.210 nan 0.000 0.405 309 A N 0.476 123.339 122.820 0.071 0.000 1.902 309 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 309 A C 2.246 179.904 177.584 0.124 0.000 1.181 309 A CA 1.515 53.640 52.037 0.148 0.000 0.623 309 A CB -0.795 18.367 19.000 0.270 0.000 0.818 309 A HN 0.381 nan 8.150 nan 0.000 0.443 310 L N 0.051 121.234 121.223 -0.068 0.000 2.012 310 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 310 L C 2.362 179.132 176.870 -0.168 0.000 1.073 310 L CA 2.837 57.435 54.840 -0.404 0.000 0.748 310 L CB -0.680 41.010 42.059 -0.614 0.000 0.891 310 L HN 0.529 nan 8.230 nan 0.000 0.431 311 E N -0.224 119.903 120.200 -0.122 0.000 2.110 311 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 311 E C 2.092 178.663 176.600 -0.049 0.000 0.988 311 E CA 1.794 58.138 56.400 -0.092 0.000 0.804 311 E CB -0.433 29.201 29.700 -0.111 0.000 0.745 311 E HN 0.616 nan 8.360 nan 0.000 0.458 312 I N 0.409 120.967 120.570 -0.020 0.000 2.226 312 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 312 I C 2.340 178.472 176.117 0.025 0.000 1.100 312 I CA 1.042 62.344 61.300 0.003 0.000 1.374 312 I CB -0.400 37.615 38.000 0.025 0.000 1.057 312 I HN 0.215 nan 8.210 nan 0.000 0.413 313 A N 0.485 123.336 122.820 0.052 0.000 2.019 313 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 313 A C 2.428 180.031 177.584 0.031 0.000 1.164 313 A CA 1.407 53.488 52.037 0.073 0.000 0.644 313 A CB -0.574 18.514 19.000 0.147 0.000 0.805 313 A HN 0.337 nan 8.150 nan 0.000 0.449 314 R N -0.382 120.117 120.500 -0.003 0.000 2.061 314 R HA -0.091 4.248 4.340 -0.000 0.000 0.230 314 R C 1.920 178.214 176.300 -0.010 0.000 1.140 314 R CA 1.563 57.653 56.100 -0.016 0.000 0.940 314 R CB -0.349 29.927 30.300 -0.041 0.000 0.839 314 R HN 0.405 nan 8.270 nan 0.000 0.429 315 I N 1.824 122.385 120.570 -0.014 0.000 2.087 315 I HA -0.326 3.844 4.170 -0.000 0.000 0.240 315 I C 2.263 178.379 176.117 -0.002 0.000 1.054 315 I CA 1.642 62.934 61.300 -0.013 0.000 1.311 315 I CB -1.258 36.731 38.000 -0.019 0.000 1.024 315 I HN 0.297 nan 8.210 nan 0.000 0.402 316 L N 0.496 121.725 121.223 0.010 0.000 2.622 316 L HA 0.101 4.441 4.340 -0.000 0.000 0.233 316 L C 1.396 178.277 176.870 0.019 0.000 1.156 316 L CA 0.527 55.378 54.840 0.019 0.000 0.866 316 L CB -1.060 41.020 42.059 0.035 0.000 0.980 316 L HN 0.529 nan 8.230 nan 0.000 0.448 317 G N 0.880 109.689 108.800 0.015 0.000 2.338 317 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.296 317 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.296 317 G C 0.089 175.002 174.900 0.022 0.000 1.040 317 G CA 0.241 45.350 45.100 0.015 0.000 1.004 317 G HN 0.230 nan 8.290 nan 0.000 0.509 318 K N -0.560 119.860 120.400 0.033 0.000 2.340 318 K HA 0.563 4.883 4.320 -0.000 0.000 0.244 318 K C -2.616 174.015 176.600 0.051 0.000 0.973 318 K CA -2.189 54.121 56.287 0.038 0.000 0.828 318 K CB 1.838 34.365 32.500 0.045 0.000 1.226 318 K HN -0.040 nan 8.250 nan 0.000 0.437 319 P HA 0.091 nan 4.420 nan 0.000 0.271 319 P C -1.032 176.320 177.300 0.087 0.000 1.220 319 P CA -0.129 63.001 63.100 0.050 0.000 0.768 319 P CB 0.126 31.829 31.700 0.004 0.000 0.848 320 Y N 4.328 124.616 120.300 -0.021 0.000 2.350 320 Y HA 0.446 4.996 4.550 -0.000 0.000 0.340 320 Y C -0.166 175.711 175.900 -0.038 0.000 1.006 320 Y CA -0.330 57.759 58.100 -0.018 0.000 1.166 320 Y CB 0.744 39.200 38.460 -0.006 0.000 1.168 320 Y HN 0.207 nan 8.280 nan 0.000 0.502 321 R N 5.394 125.607 120.500 -0.478 0.000 2.575 321 R HA 0.196 4.536 4.340 -0.000 0.000 0.293 321 R C -0.999 174.937 176.300 -0.607 0.000 0.983 321 R CA -0.800 55.032 56.100 -0.446 0.000 0.887 321 R CB 1.872 31.980 30.300 -0.319 0.000 1.184 321 R HN 0.824 nan 8.270 nan 0.000 0.445 322 Q N 1.475 120.994 119.800 -0.469 0.000 3.159 322 Q HA 0.113 4.453 4.340 -0.000 0.000 0.280 322 Q C 1.183 177.041 176.000 -0.237 0.000 1.403 322 Q CA 0.006 55.618 55.803 -0.317 0.000 0.957 322 Q CB 0.391 29.040 28.738 -0.150 0.000 1.729 322 Q HN 0.856 nan 8.270 nan 0.000 0.551 323 G N 0.825 109.422 108.800 -0.338 0.000 2.432 323 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.219 323 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.219 323 G C 0.150 174.863 174.900 -0.311 0.000 1.135 323 G CA 0.260 45.071 45.100 -0.482 0.000 0.767 323 G HN 0.309 nan 8.290 nan 0.000 0.550 324 F N 0.436 120.425 119.950 0.065 0.000 2.415 324 F HA 0.494 5.021 4.527 -0.000 0.000 0.348 324 F C 0.055 175.881 175.800 0.043 0.000 1.119 324 F CA -1.162 56.898 58.000 0.100 0.000 1.069 324 F CB 2.056 41.121 39.000 0.108 0.000 1.124 324 F HN -0.254 nan 8.300 nan 0.000 0.472 325 V N 4.243 124.301 119.914 0.240 0.000 2.432 325 V HA 0.288 4.408 4.120 -0.000 0.000 0.275 325 V C 0.031 176.213 176.094 0.147 0.000 1.043 325 V CA -1.010 61.376 62.300 0.143 0.000 0.925 325 V CB 1.233 33.120 31.823 0.105 0.000 0.985 325 V HN 0.619 nan 8.190 nan 0.000 0.466 326 K N 3.937 124.394 120.400 0.095 0.000 2.159 326 K HA 0.297 4.617 4.320 -0.000 0.000 0.266 326 K C -0.087 176.536 176.600 0.039 0.000 0.975 326 K CA -0.733 55.593 56.287 0.064 0.000 0.865 326 K CB 0.968 33.493 32.500 0.042 0.000 1.087 326 K HN 0.700 nan 8.250 nan 0.000 0.446 327 N N 3.126 121.853 118.700 0.045 0.000 2.452 327 N HA 0.025 4.765 4.740 -0.000 0.000 0.266 327 N C 0.423 175.908 175.510 -0.042 0.000 1.175 327 N CA 0.335 53.419 53.050 0.057 0.000 0.945 327 N CB 0.738 39.289 38.487 0.107 0.000 1.063 327 N HN 0.597 nan 8.380 nan 0.000 0.472 328 R N 2.798 123.177 120.500 -0.202 0.000 2.200 328 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 328 R C 0.335 176.263 176.300 -0.621 0.000 1.127 328 R CA 1.468 57.249 56.100 -0.532 0.000 0.989 328 R CB -0.058 29.669 30.300 -0.955 0.000 0.869 328 R HN 0.631 nan 8.270 nan 0.000 0.459 329 Y N -0.676 119.635 120.300 0.018 0.000 2.683 329 Y HA 0.303 4.853 4.550 -0.000 0.000 0.297 329 Y C -0.341 175.568 175.900 0.015 0.000 1.147 329 Y CA -0.577 57.533 58.100 0.016 0.000 1.274 329 Y CB 0.718 39.188 38.460 0.017 0.000 1.143 329 Y HN -0.267 nan 8.280 nan 0.000 0.527 330 V N 0.102 120.067 119.914 0.086 0.000 2.525 330 V HA 0.621 4.740 4.120 -0.000 0.000 0.299 330 V C 0.711 176.822 176.094 0.029 0.000 1.034 330 V CA -1.009 61.330 62.300 0.065 0.000 0.863 330 V CB 1.180 33.040 31.823 0.062 0.000 0.999 330 V HN 0.457 nan 8.190 nan 0.000 0.423 331 G N 4.060 112.876 108.800 0.028 0.000 2.468 331 G HA2 0.241 4.201 3.960 -0.000 0.000 0.264 331 G HA3 0.241 4.201 3.960 -0.000 0.000 0.264 331 G C 0.024 174.942 174.900 0.030 0.000 1.460 331 G CA -0.787 44.321 45.100 0.014 0.000 1.060 331 G HN 0.684 nan 8.290 nan 0.000 0.543 332 R N 0.406 120.927 120.500 0.035 0.000 2.288 332 R HA 0.146 4.486 4.340 -0.000 0.000 0.330 332 R C 1.629 177.992 176.300 0.105 0.000 1.069 332 R CA 0.559 56.720 56.100 0.101 0.000 0.941 332 R CB 0.418 30.787 30.300 0.115 0.000 0.998 332 R HN 0.669 nan 8.270 nan 0.000 0.452 333 T N 0.330 114.951 114.554 0.112 0.000 2.867 333 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 333 T C 1.569 176.321 174.700 0.086 0.000 1.057 333 T CA 0.747 62.895 62.100 0.079 0.000 1.136 333 T CB -0.210 68.696 68.868 0.062 0.000 0.874 333 T HN 0.529 nan 8.240 nan 0.000 0.466 334 F N 3.605 123.580 119.950 0.042 0.000 2.095 334 F HA 0.026 4.553 4.527 -0.000 0.000 0.298 334 F C 1.809 177.647 175.800 0.062 0.000 1.104 334 F CA 1.442 59.462 58.000 0.033 0.000 1.232 334 F CB -0.410 38.567 39.000 -0.037 0.000 0.987 334 F HN 0.335 nan 8.300 nan 0.000 0.475 335 I N -1.245 119.232 120.570 -0.155 0.000 3.646 335 I HA 0.079 4.249 4.170 -0.000 0.000 0.301 335 I C 0.279 176.330 176.117 -0.110 0.000 1.276 335 I CA -0.073 61.021 61.300 -0.344 0.000 1.254 335 I CB -0.940 36.792 38.000 -0.447 0.000 1.020 335 I HN -0.022 nan 8.210 nan 0.000 0.473 336 M N 2.912 122.468 119.600 -0.073 0.000 2.238 336 M HA 0.204 4.684 4.480 -0.000 0.000 0.347 336 M C -0.916 175.385 176.300 0.003 0.000 1.173 336 M CA -1.339 53.956 55.300 -0.009 0.000 1.147 336 M CB 0.200 32.796 32.600 -0.006 0.000 1.547 336 M HN -0.133 nan 8.290 nan 0.000 0.455 337 P HA -0.112 nan 4.420 nan 0.000 0.216 337 P C 0.435 177.734 177.300 -0.001 0.000 1.150 337 P CA 1.291 64.408 63.100 0.028 0.000 0.843 337 P CB 0.098 31.815 31.700 0.029 0.000 0.787 338 G N -0.813 107.983 108.800 -0.007 0.000 2.524 338 G HA2 0.276 4.236 3.960 -0.000 0.000 0.310 338 G HA3 0.276 4.236 3.960 -0.000 0.000 0.310 338 G C 0.237 175.127 174.900 -0.016 0.000 1.279 338 G CA -0.228 44.864 45.100 -0.013 0.000 0.974 338 G HN -0.132 nan 8.290 nan 0.000 0.484 339 Q N 0.052 119.842 119.800 -0.017 0.000 2.234 339 Q HA -0.126 4.214 4.340 -0.000 0.000 0.206 339 Q C 2.283 178.281 176.000 -0.004 0.000 0.980 339 Q CA 1.719 57.514 55.803 -0.012 0.000 0.869 339 Q CB 0.097 28.830 28.738 -0.009 0.000 0.912 339 Q HN 0.564 nan 8.270 nan 0.000 0.436 340 Q N -0.772 119.026 119.800 -0.004 0.000 2.137 340 Q HA -0.035 4.305 4.340 -0.000 0.000 0.198 340 Q C 1.924 177.924 176.000 0.001 0.000 0.960 340 Q CA 0.691 56.494 55.803 -0.000 0.000 0.847 340 Q CB -0.306 28.431 28.738 -0.001 0.000 0.915 340 Q HN 0.401 nan 8.270 nan 0.000 0.448 341 L N 1.035 122.258 121.223 0.001 0.000 2.017 341 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 341 L C 2.220 179.093 176.870 0.006 0.000 1.073 341 L CA 1.710 56.553 54.840 0.004 0.000 0.745 341 L CB -0.341 41.720 42.059 0.004 0.000 0.894 341 L HN 0.022 nan 8.230 nan 0.000 0.432 342 R N -0.785 119.716 120.500 0.002 0.000 2.083 342 R HA -0.202 4.137 4.340 -0.000 0.000 0.237 342 R C 2.479 178.786 176.300 0.012 0.000 1.137 342 R CA 1.836 57.940 56.100 0.007 0.000 0.951 342 R CB -0.563 29.738 30.300 0.001 0.000 0.851 342 R HN 0.364 nan 8.270 nan 0.000 0.434 343 R N 1.405 121.909 120.500 0.008 0.000 2.080 343 R HA -0.141 4.199 4.340 -0.000 0.000 0.236 343 R C 2.001 178.303 176.300 0.004 0.000 1.137 343 R CA 1.762 57.866 56.100 0.005 0.000 0.943 343 R CB 0.003 30.306 30.300 0.004 0.000 0.846 343 R HN 0.120 nan 8.270 nan 0.000 0.431 344 K N -0.362 120.042 120.400 0.005 0.000 2.097 344 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 344 K C 2.016 178.622 176.600 0.010 0.000 1.049 344 K CA 1.621 57.912 56.287 0.007 0.000 0.933 344 K CB 0.018 32.523 32.500 0.008 0.000 0.717 344 K HN 0.100 nan 8.250 nan 0.000 0.442 345 S N 0.633 116.341 115.700 0.013 0.000 2.474 345 S HA -0.063 4.407 4.470 -0.000 0.000 0.235 345 S C 1.918 176.527 174.600 0.015 0.000 0.997 345 S CA 0.669 58.880 58.200 0.019 0.000 0.949 345 S CB 0.009 63.222 63.200 0.022 0.000 0.766 345 S HN 0.049 nan 8.310 nan 0.000 0.517 346 V N 1.292 121.209 119.914 0.005 0.000 2.488 346 V HA -0.016 4.104 4.120 -0.000 0.000 0.246 346 V C 2.442 178.524 176.094 -0.019 0.000 1.046 346 V CA 1.380 63.673 62.300 -0.012 0.000 1.053 346 V CB -0.446 31.363 31.823 -0.024 0.000 0.679 346 V HN 0.241 nan 8.190 nan 0.000 0.458 347 R N 0.310 120.805 120.500 -0.009 0.000 2.115 347 R HA -0.039 4.301 4.340 -0.000 0.000 0.230 347 R C 2.366 178.676 176.300 0.016 0.000 1.111 347 R CA 1.383 57.482 56.100 -0.002 0.000 0.976 347 R CB -0.281 30.020 30.300 0.002 0.000 0.870 347 R HN 0.433 nan 8.270 nan 0.000 0.445 348 R N -0.341 120.171 120.500 0.021 0.000 2.062 348 R HA -0.056 4.284 4.340 -0.000 0.000 0.229 348 R C 2.184 178.510 176.300 0.045 0.000 1.128 348 R CA 1.451 57.573 56.100 0.036 0.000 0.960 348 R CB -0.292 30.031 30.300 0.037 0.000 0.855 348 R HN 0.139 nan 8.270 nan 0.000 0.432 349 K N 0.702 121.122 120.400 0.032 0.000 2.032 349 K HA -0.096 4.224 4.320 -0.000 0.000 0.209 349 K C 0.115 176.735 176.600 0.034 0.000 1.048 349 K CA 1.104 57.410 56.287 0.031 0.000 0.927 349 K CB 0.070 32.579 32.500 0.016 0.000 0.712 349 K HN -0.032 nan 8.250 nan 0.000 0.441 350 L N -0.122 121.111 121.223 0.016 0.000 2.341 350 L HA 0.401 4.741 4.340 -0.000 0.000 0.267 350 L C -0.886 176.054 176.870 0.117 0.000 1.009 350 L CA -1.186 53.681 54.840 0.045 0.000 0.819 350 L CB 1.896 43.890 42.059 -0.109 0.000 1.323 350 L HN 0.003 nan 8.230 nan 0.000 0.425 351 N N 0.370 119.227 118.700 0.262 0.000 2.371 351 N HA 0.668 5.408 4.740 -0.000 0.000 0.280 351 N C -1.409 174.316 175.510 0.359 0.000 1.084 351 N CA -0.345 52.862 53.050 0.262 0.000 0.892 351 N CB 2.111 40.683 38.487 0.141 0.000 1.653 351 N HN 0.772 nan 8.380 nan 0.000 0.480 352 A N 2.318 125.282 122.820 0.239 0.000 2.331 352 A HA 0.401 4.721 4.320 -0.000 0.000 0.283 352 A C -0.359 177.256 177.584 0.051 0.000 1.142 352 A CA -0.470 51.557 52.037 -0.017 0.000 0.812 352 A CB 0.125 18.942 19.000 -0.304 0.000 1.074 352 A HN 0.683 nan 8.150 nan 0.000 0.497 353 N N 1.788 120.534 118.700 0.077 0.000 2.482 353 N HA 0.052 4.792 4.740 -0.000 0.000 0.242 353 N C 1.558 177.137 175.510 0.116 0.000 1.100 353 N CA -0.120 52.952 53.050 0.037 0.000 0.946 353 N CB 0.864 39.316 38.487 -0.059 0.000 1.227 353 N HN 0.767 nan 8.380 nan 0.000 0.508 354 R N 1.892 122.454 120.500 0.104 0.000 2.133 354 R HA -0.236 4.104 4.340 -0.000 0.000 0.247 354 R C 1.600 177.962 176.300 0.104 0.000 1.151 354 R CA 1.772 57.948 56.100 0.127 0.000 0.971 354 R CB -0.586 29.743 30.300 0.048 0.000 0.866 354 R HN 0.354 nan 8.270 nan 0.000 0.447 355 A N 2.001 124.834 122.820 0.021 0.000 1.884 355 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 355 A C 2.003 179.535 177.584 -0.087 0.000 1.197 355 A CA 1.880 53.900 52.037 -0.029 0.000 0.637 355 A CB -0.475 18.495 19.000 -0.050 0.000 0.827 355 A HN 0.388 nan 8.150 nan 0.000 0.450 356 E N -1.263 118.813 120.200 -0.206 0.000 2.463 356 E HA -0.090 4.260 4.350 -0.000 0.000 0.201 356 E C 1.132 177.376 176.600 -0.593 0.000 1.045 356 E CA 0.807 56.940 56.400 -0.446 0.000 0.872 356 E CB -0.255 29.050 29.700 -0.658 0.000 0.797 356 E HN 0.802 nan 8.360 nan 0.000 0.538 357 F N -0.425 119.451 119.950 -0.124 0.000 2.667 357 F HA 0.205 4.732 4.527 -0.000 0.000 0.288 357 F C 1.241 176.996 175.800 -0.075 0.000 1.086 357 F CA -0.577 57.359 58.000 -0.107 0.000 1.297 357 F CB 0.113 39.036 39.000 -0.128 0.000 1.059 357 F HN -0.264 nan 8.300 nan 0.000 0.624 358 R N 2.330 122.906 120.500 0.127 0.000 2.486 358 R HA -0.096 4.244 4.340 -0.000 0.000 0.303 358 R C -0.107 176.209 176.300 0.026 0.000 0.958 358 R CA 0.893 57.028 56.100 0.058 0.000 1.077 358 R CB -0.303 30.018 30.300 0.035 0.000 0.921 358 R HN 0.311 nan 8.270 nan 0.000 0.406 359 D N 1.508 121.919 120.400 0.019 0.000 3.059 359 D HA -0.198 4.442 4.640 -0.000 0.000 0.220 359 D C -0.790 175.514 176.300 0.007 0.000 1.169 359 D CA 1.417 55.421 54.000 0.007 0.000 0.902 359 D CB -0.489 40.311 40.800 0.001 0.000 1.116 359 D HN 0.564 nan 8.370 nan 0.000 0.417 360 K N 0.055 120.465 120.400 0.016 0.000 2.281 360 K HA 0.409 4.729 4.320 -0.000 0.000 0.242 360 K C 0.027 176.641 176.600 0.022 0.000 0.971 360 K CA -0.732 55.563 56.287 0.013 0.000 0.834 360 K CB 1.226 33.721 32.500 -0.008 0.000 1.181 360 K HN -0.144 nan 8.250 nan 0.000 0.435 361 N N 2.053 120.774 118.700 0.035 0.000 2.485 361 N HA 0.142 4.882 4.740 -0.000 0.000 0.243 361 N C -0.642 174.926 175.510 0.098 0.000 0.987 361 N CA -0.294 52.790 53.050 0.057 0.000 0.940 361 N CB 1.301 39.881 38.487 0.155 0.000 1.122 361 N HN 0.348 nan 8.380 nan 0.000 0.509 362 V N 0.410 120.368 119.914 0.074 0.000 2.716 362 V HA 0.587 4.707 4.120 -0.000 0.000 0.304 362 V C -0.072 176.147 176.094 0.207 0.000 1.053 362 V CA -0.956 61.418 62.300 0.123 0.000 0.984 362 V CB 1.653 33.587 31.823 0.185 0.000 1.021 362 V HN 0.374 nan 8.190 nan 0.000 0.467 363 L N 5.128 126.475 121.223 0.207 0.000 2.318 363 L HA 0.609 4.949 4.340 -0.000 0.000 0.277 363 L C -0.598 176.399 176.870 0.211 0.000 1.008 363 L CA -0.240 54.758 54.840 0.262 0.000 0.846 363 L CB 0.796 43.003 42.059 0.246 0.000 1.220 363 L HN 0.755 nan 8.230 nan 0.000 0.423 364 L N 5.391 126.751 121.223 0.228 0.000 2.350 364 L HA 0.671 5.011 4.340 -0.000 0.000 0.275 364 L C -0.450 176.516 176.870 0.160 0.000 1.099 364 L CA -0.795 54.172 54.840 0.212 0.000 0.808 364 L CB 1.455 43.644 42.059 0.217 0.000 1.149 364 L HN 0.311 nan 8.230 nan 0.000 0.442 365 V N 1.070 121.066 119.914 0.136 0.000 2.709 365 V HA 0.523 4.643 4.120 -0.000 0.000 0.308 365 V C -0.975 175.167 176.094 0.079 0.000 1.062 365 V CA -0.523 61.835 62.300 0.097 0.000 0.901 365 V CB 2.213 34.100 31.823 0.107 0.000 1.003 365 V HN 0.698 nan 8.190 nan 0.000 0.425 366 D N 1.421 121.849 120.400 0.048 0.000 2.857 366 D HA 0.245 4.885 4.640 -0.000 0.000 0.227 366 D C 0.609 176.937 176.300 0.047 0.000 1.192 366 D CA -0.334 53.693 54.000 0.045 0.000 0.857 366 D CB 2.463 43.277 40.800 0.024 0.000 1.645 366 D HN 0.723 nan 8.370 nan 0.000 0.482 367 D N 0.814 121.253 120.400 0.065 0.000 2.190 367 D HA -0.140 4.499 4.640 -0.000 0.000 0.200 367 D C 0.346 176.710 176.300 0.107 0.000 0.992 367 D CA 0.831 54.883 54.000 0.087 0.000 0.854 367 D CB 0.212 41.090 40.800 0.130 0.000 0.936 367 D HN 0.311 nan 8.370 nan 0.000 0.462 368 S N -1.187 114.561 115.700 0.079 0.000 2.656 368 S HA 0.542 5.011 4.470 -0.000 0.000 0.265 368 S C -1.421 173.223 174.600 0.074 0.000 1.110 368 S CA -1.130 57.143 58.200 0.123 0.000 0.821 368 S CB 0.895 64.207 63.200 0.185 0.000 1.099 368 S HN 0.125 nan 8.310 nan 0.000 0.471 369 I N 1.439 122.095 120.570 0.143 0.000 2.498 369 I HA 0.570 4.740 4.170 -0.000 0.000 0.290 369 I C -0.045 176.145 176.117 0.122 0.000 1.032 369 I CA -0.707 60.670 61.300 0.128 0.000 1.073 369 I CB 2.090 40.212 38.000 0.204 0.000 1.251 369 I HN 0.611 nan 8.210 nan 0.000 0.426 370 V N 4.593 124.557 119.914 0.082 0.000 3.444 370 V HA 0.171 4.291 4.120 -0.000 0.000 0.210 370 V C 1.665 177.818 176.094 0.099 0.000 1.217 370 V CA 0.237 62.584 62.300 0.079 0.000 1.302 370 V CB -0.102 31.779 31.823 0.098 0.000 1.341 370 V HN 0.674 nan 8.190 nan 0.000 0.522 371 R N 0.725 121.300 120.500 0.125 0.000 2.254 371 R HA 0.322 4.662 4.340 -0.000 0.000 0.195 371 R C 1.532 177.877 176.300 0.075 0.000 0.957 371 R CA 0.830 56.984 56.100 0.090 0.000 1.024 371 R CB 0.389 30.741 30.300 0.087 0.000 0.952 371 R HN 0.697 nan 8.270 nan 0.000 0.484 372 G N 0.908 109.756 108.800 0.081 0.000 2.157 372 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.248 372 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.248 372 G C 0.875 175.802 174.900 0.044 0.000 0.979 372 G CA 0.664 45.803 45.100 0.065 0.000 0.650 372 G HN 0.300 nan 8.290 nan 0.000 0.529 373 T N 0.546 115.130 114.554 0.049 0.000 2.622 373 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 373 T C 2.416 177.122 174.700 0.009 0.000 1.047 373 T CA 2.351 64.470 62.100 0.032 0.000 1.159 373 T CB -0.632 68.263 68.868 0.045 0.000 0.863 373 T HN 0.408 nan 8.240 nan 0.000 0.422 374 T N 2.382 116.941 114.554 0.008 0.000 2.674 374 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 374 T C 2.585 177.253 174.700 -0.054 0.000 1.039 374 T CA 1.825 63.907 62.100 -0.030 0.000 1.150 374 T CB -0.613 68.240 68.868 -0.026 0.000 0.864 374 T HN 0.635 nan 8.240 nan 0.000 0.427 375 S N 1.704 117.388 115.700 -0.026 0.000 2.370 375 S HA -0.178 4.292 4.470 -0.000 0.000 0.226 375 S C 2.008 176.593 174.600 -0.025 0.000 1.033 375 S CA 1.280 59.464 58.200 -0.026 0.000 1.011 375 S CB -0.548 62.653 63.200 0.002 0.000 0.852 375 S HN 0.471 nan 8.310 nan 0.000 0.457 376 E N 1.521 121.715 120.200 -0.010 0.000 2.038 376 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 376 E C 2.306 178.889 176.600 -0.028 0.000 1.000 376 E CA 1.642 58.036 56.400 -0.009 0.000 0.803 376 E CB -0.367 29.335 29.700 0.002 0.000 0.750 376 E HN 0.747 nan 8.360 nan 0.000 0.448 377 Q N -0.417 119.358 119.800 -0.041 0.000 2.119 377 Q HA -0.113 4.227 4.340 -0.000 0.000 0.201 377 Q C 2.292 178.236 176.000 -0.093 0.000 0.972 377 Q CA 0.774 56.542 55.803 -0.057 0.000 0.847 377 Q CB 0.012 28.716 28.738 -0.058 0.000 0.903 377 Q HN 0.300 nan 8.270 nan 0.000 0.433 378 I N 0.915 121.400 120.570 -0.141 0.000 2.226 378 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 378 I C 2.193 178.264 176.117 -0.077 0.000 1.100 378 I CA 1.411 62.570 61.300 -0.234 0.000 1.374 378 I CB -0.923 36.896 38.000 -0.301 0.000 1.057 378 I HN 0.254 nan 8.210 nan 0.000 0.413 379 I N 0.167 120.710 120.570 -0.045 0.000 2.179 379 I HA -0.306 3.863 4.170 -0.000 0.000 0.242 379 I C 2.486 178.576 176.117 -0.045 0.000 1.088 379 I CA 1.346 62.632 61.300 -0.024 0.000 1.357 379 I CB -0.491 37.496 38.000 -0.020 0.000 1.051 379 I HN 0.271 nan 8.210 nan 0.000 0.409 380 E N 0.937 121.110 120.200 -0.045 0.000 2.097 380 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 380 E C 2.380 178.943 176.600 -0.062 0.000 1.000 380 E CA 1.551 57.923 56.400 -0.048 0.000 0.804 380 E CB -0.010 29.668 29.700 -0.037 0.000 0.740 380 E HN 0.385 nan 8.360 nan 0.000 0.454 381 M N -0.217 119.352 119.600 -0.051 0.000 2.086 381 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 381 M C 2.477 178.653 176.300 -0.207 0.000 1.067 381 M CA 1.466 56.735 55.300 -0.053 0.000 1.116 381 M CB -0.264 32.385 32.600 0.083 0.000 1.348 381 M HN 0.209 nan 8.290 nan 0.000 0.407 382 A N 0.616 123.291 122.820 -0.241 0.000 1.883 382 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 382 A C 2.171 179.558 177.584 -0.328 0.000 1.186 382 A CA 1.510 53.214 52.037 -0.556 0.000 0.624 382 A CB -0.588 18.277 19.000 -0.225 0.000 0.822 382 A HN 0.355 nan 8.150 nan 0.000 0.444 383 R N -0.212 120.188 120.500 -0.167 0.000 2.097 383 R HA -0.176 4.164 4.340 -0.000 0.000 0.236 383 R C 1.970 178.206 176.300 -0.105 0.000 1.135 383 R CA 1.843 57.877 56.100 -0.110 0.000 0.934 383 R CB -1.147 29.105 30.300 -0.080 0.000 0.846 383 R HN 0.753 nan 8.270 nan 0.000 0.431 384 E N 0.556 120.694 120.200 -0.104 0.000 2.147 384 E HA -0.183 4.167 4.350 -0.000 0.000 0.199 384 E C 1.678 178.222 176.600 -0.092 0.000 1.005 384 E CA 1.518 57.869 56.400 -0.082 0.000 0.810 384 E CB -0.174 29.485 29.700 -0.068 0.000 0.736 384 E HN 0.401 nan 8.360 nan 0.000 0.460 385 A N -0.172 122.550 122.820 -0.164 0.000 2.248 385 A HA 0.153 4.473 4.320 -0.000 0.000 0.210 385 A C 1.653 179.218 177.584 -0.032 0.000 1.174 385 A CA 0.982 52.937 52.037 -0.137 0.000 0.750 385 A CB -0.498 18.295 19.000 -0.345 0.000 0.780 385 A HN 0.386 nan 8.150 nan 0.000 0.478 386 G N -2.447 106.330 108.800 -0.038 0.000 2.157 386 G HA2 0.117 4.077 3.960 -0.000 0.000 0.239 386 G HA3 0.117 4.077 3.960 -0.000 0.000 0.239 386 G C 0.362 175.271 174.900 0.014 0.000 0.982 386 G CA 0.138 45.236 45.100 -0.004 0.000 0.650 386 G HN 1.620 nan 8.290 nan 0.000 0.527 387 A N 0.143 122.970 122.820 0.012 0.000 2.488 387 A HA 0.636 4.956 4.320 -0.000 0.000 0.249 387 A C 1.339 178.910 177.584 -0.022 0.000 1.083 387 A CA 1.249 53.307 52.037 0.035 0.000 0.768 387 A CB 0.331 19.364 19.000 0.056 0.000 1.017 387 A HN 0.421 nan 8.150 nan 0.000 0.496 388 K N 1.286 121.673 120.400 -0.022 0.000 1.973 388 K HA -0.060 4.260 4.320 -0.000 0.000 0.210 388 K C 0.142 176.679 176.600 -0.105 0.000 1.045 388 K CA 1.344 57.603 56.287 -0.047 0.000 0.937 388 K CB -0.071 32.412 32.500 -0.028 0.000 0.721 388 K HN 0.684 nan 8.250 nan 0.000 0.438 389 K N 0.805 121.106 120.400 -0.166 0.000 2.427 389 K HA 0.344 4.664 4.320 -0.000 0.000 0.252 389 K C -1.484 174.805 176.600 -0.518 0.000 0.931 389 K CA -0.542 55.514 56.287 -0.386 0.000 0.793 389 K CB 2.874 35.092 32.500 -0.471 0.000 1.211 389 K HN -0.192 nan 8.250 nan 0.000 0.426 390 V N 3.989 123.576 119.914 -0.544 0.000 2.350 390 V HA 0.342 4.462 4.120 -0.000 0.000 0.285 390 V C -1.199 174.646 176.094 -0.416 0.000 1.014 390 V CA -0.859 61.230 62.300 -0.352 0.000 0.831 390 V CB 0.146 31.887 31.823 -0.137 0.000 1.000 390 V HN 0.580 nan 8.190 nan 0.000 0.433 391 Y N 4.732 125.048 120.300 0.027 0.000 2.446 391 Y HA 0.784 5.334 4.550 -0.000 0.000 0.338 391 Y C -0.202 175.781 175.900 0.138 0.000 1.055 391 Y CA -1.236 56.883 58.100 0.031 0.000 1.101 391 Y CB 1.831 40.253 38.460 -0.063 0.000 1.221 391 Y HN 0.529 nan 8.280 nan 0.000 0.460 392 L N 2.148 123.572 121.223 0.333 0.000 2.381 392 L HA 0.956 5.296 4.340 -0.000 0.000 0.268 392 L C -1.155 175.799 176.870 0.140 0.000 0.997 392 L CA -0.736 54.217 54.840 0.189 0.000 0.818 392 L CB 1.887 43.988 42.059 0.070 0.000 1.310 392 L HN 0.706 nan 8.230 nan 0.000 0.416 393 A N 2.536 125.377 122.820 0.035 0.000 2.353 393 A HA 0.677 4.997 4.320 -0.000 0.000 0.299 393 A C -0.966 176.548 177.584 -0.117 0.000 1.089 393 A CA -0.358 51.619 52.037 -0.101 0.000 0.736 393 A CB 1.401 20.362 19.000 -0.065 0.000 1.195 393 A HN 0.692 nan 8.150 nan 0.000 0.447 394 S N 2.238 117.809 115.700 -0.215 0.000 2.457 394 S HA 0.493 4.962 4.470 -0.000 0.000 0.289 394 S C 1.225 175.818 174.600 -0.011 0.000 1.163 394 S CA 0.086 58.236 58.200 -0.083 0.000 1.078 394 S CB 1.063 64.234 63.200 -0.048 0.000 0.987 394 S HN 1.665 nan 8.310 nan 0.000 0.482 395 A N 4.150 126.979 122.820 0.015 0.000 2.125 395 A HA 0.387 4.707 4.320 -0.000 0.000 0.219 395 A C 1.135 178.729 177.584 0.018 0.000 1.156 395 A CA 1.151 53.191 52.037 0.006 0.000 0.671 395 A CB -0.633 18.377 19.000 0.017 0.000 0.794 395 A HN 1.204 nan 8.150 nan 0.000 0.459 396 A N -0.631 122.244 122.820 0.090 0.000 2.337 396 A HA 0.706 5.026 4.320 -0.000 0.000 0.331 396 A C -2.853 174.819 177.584 0.146 0.000 1.137 396 A CA -2.063 50.024 52.037 0.083 0.000 0.807 396 A CB 0.743 19.902 19.000 0.266 0.000 1.250 396 A HN 0.099 nan 8.150 nan 0.000 0.468 397 P HA 0.224 nan 4.420 nan 0.000 0.271 397 P C -0.635 176.683 177.300 0.029 0.000 1.244 397 P CA -0.136 62.910 63.100 -0.090 0.000 0.793 397 P CB 0.337 31.820 31.700 -0.361 0.000 0.984 398 E N 0.240 120.243 120.200 -0.328 0.000 2.414 398 E HA 0.088 4.438 4.350 -0.000 0.000 0.263 398 E C -0.260 176.328 176.600 -0.020 0.000 1.000 398 E CA 0.575 56.691 56.400 -0.474 0.000 0.914 398 E CB -0.269 29.031 29.700 -0.668 0.000 0.948 398 E HN 0.276 nan 8.360 nan 0.000 0.444 399 I N 3.978 124.540 120.570 -0.015 0.000 2.306 399 I HA 0.204 4.374 4.170 -0.000 0.000 0.288 399 I C 0.991 177.016 176.117 -0.153 0.000 1.036 399 I CA -0.132 61.129 61.300 -0.065 0.000 1.221 399 I CB 0.604 38.530 38.000 -0.123 0.000 1.385 399 I HN 0.435 nan 8.210 nan 0.000 0.472 400 R N 4.266 124.610 120.500 -0.260 0.000 2.446 400 R HA 0.291 4.631 4.340 -0.000 0.000 0.254 400 R C -0.669 175.203 176.300 -0.713 0.000 0.918 400 R CA 0.037 55.848 56.100 -0.482 0.000 1.069 400 R CB 0.592 30.477 30.300 -0.692 0.000 1.194 400 R HN 0.313 nan 8.270 nan 0.000 0.534 401 F N 1.136 121.056 119.950 -0.050 0.000 2.546 401 F HA 0.453 4.980 4.527 -0.000 0.000 0.320 401 F C -2.256 173.504 175.800 -0.066 0.000 1.076 401 F CA -3.368 54.614 58.000 -0.030 0.000 0.928 401 F CB 1.162 40.139 39.000 -0.038 0.000 1.189 401 F HN -0.324 nan 8.300 nan 0.000 0.465 402 P HA 0.040 nan 4.420 nan 0.000 0.271 402 P C -0.864 176.514 177.300 0.129 0.000 1.218 402 P CA -0.287 62.878 63.100 0.107 0.000 0.780 402 P CB 0.545 32.300 31.700 0.092 0.000 0.901 403 N N 2.202 120.917 118.700 0.024 0.000 2.419 403 N HA 0.211 4.951 4.740 -0.000 0.000 0.277 403 N C -0.077 175.413 175.510 -0.034 0.000 1.006 403 N CA -0.377 52.669 53.050 -0.006 0.000 0.923 403 N CB 1.202 39.672 38.487 -0.029 0.000 1.140 403 N HN 0.121 nan 8.380 nan 0.000 0.488 404 V N 1.751 121.571 119.914 -0.156 0.000 3.070 404 V HA 0.388 4.508 4.120 -0.000 0.000 0.345 404 V C -0.790 175.178 176.094 -0.209 0.000 1.403 404 V CA -0.206 61.984 62.300 -0.184 0.000 1.155 404 V CB -0.947 30.774 31.823 -0.170 0.000 1.140 404 V HN 0.488 nan 8.190 nan 0.000 0.505 405 Y N 1.302 121.662 120.300 0.100 0.000 2.716 405 Y HA 0.730 5.280 4.550 -0.000 0.000 0.260 405 Y C 1.510 177.425 175.900 0.026 0.000 1.141 405 Y CA -1.140 57.006 58.100 0.076 0.000 1.168 405 Y CB 0.834 39.337 38.460 0.072 0.000 1.189 405 Y HN 0.440 nan 8.280 nan 0.000 0.549 406 G N 0.789 109.655 108.800 0.109 0.000 2.173 406 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.174 406 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.174 406 G C -0.462 174.424 174.900 -0.024 0.000 1.025 406 G CA -0.402 44.700 45.100 0.003 0.000 0.706 406 G HN 0.256 nan 8.290 nan 0.000 0.499 407 I N 0.359 120.935 120.570 0.009 0.000 2.548 407 I HA 0.222 4.392 4.170 -0.000 0.000 0.287 407 I C -0.886 175.265 176.117 0.056 0.000 1.103 407 I CA -0.888 60.512 61.300 0.168 0.000 1.049 407 I CB 2.016 40.160 38.000 0.240 0.000 1.232 407 I HN 0.023 nan 8.210 nan 0.000 0.429 408 D N 8.037 128.422 120.400 -0.026 0.000 2.441 408 D HA 0.259 4.899 4.640 -0.000 0.000 0.243 408 D C -0.330 176.003 176.300 0.054 0.000 1.257 408 D CA 0.724 54.674 54.000 -0.083 0.000 1.027 408 D CB 0.214 40.873 40.800 -0.236 0.000 1.084 408 D HN 0.345 nan 8.370 nan 0.000 0.514 409 M N 4.817 124.429 119.600 0.020 0.000 3.600 409 M HA 0.144 4.624 4.480 -0.000 0.000 0.397 409 M C -2.029 174.254 176.300 -0.027 0.000 1.860 409 M CA -1.105 54.205 55.300 0.016 0.000 0.514 409 M CB 2.244 34.866 32.600 0.036 0.000 1.473 409 M HN 0.100 nan 8.290 nan 0.000 0.485 410 P HA -0.015 nan 4.420 nan 0.000 0.219 410 P C 0.573 177.826 177.300 -0.078 0.000 1.154 410 P CA 0.909 63.962 63.100 -0.079 0.000 0.826 410 P CB 0.444 32.088 31.700 -0.093 0.000 0.795 411 S N -0.670 114.985 115.700 -0.075 0.000 2.423 411 S HA 0.526 4.996 4.470 -0.000 0.000 0.317 411 S C 1.281 175.801 174.600 -0.135 0.000 1.065 411 S CA -0.327 57.816 58.200 -0.095 0.000 1.111 411 S CB 0.201 63.353 63.200 -0.079 0.000 0.968 411 S HN 0.104 nan 8.310 nan 0.000 0.474 412 A N 3.799 126.500 122.820 -0.197 0.000 2.019 412 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 412 A C 2.261 179.538 177.584 -0.513 0.000 1.164 412 A CA 2.098 53.932 52.037 -0.339 0.000 0.644 412 A CB -1.283 17.468 19.000 -0.415 0.000 0.805 412 A HN 0.949 nan 8.150 nan 0.000 0.449 413 T N -2.135 112.164 114.554 -0.425 0.000 2.962 413 T HA -0.096 4.254 4.350 -0.000 0.000 0.270 413 T C 1.285 175.927 174.700 -0.098 0.000 1.088 413 T CA 1.515 63.457 62.100 -0.264 0.000 1.127 413 T CB -0.355 68.434 68.868 -0.131 0.000 0.883 413 T HN 0.641 nan 8.240 nan 0.000 0.493 414 E N 0.494 120.639 120.200 -0.092 0.000 2.481 414 E HA 0.220 4.570 4.350 -0.000 0.000 0.195 414 E C -0.060 176.533 176.600 -0.011 0.000 1.047 414 E CA -0.067 56.311 56.400 -0.036 0.000 0.867 414 E CB -0.030 29.650 29.700 -0.033 0.000 0.858 414 E HN 0.579 nan 8.360 nan 0.000 0.513 415 L N 1.529 122.735 121.223 -0.030 0.000 2.265 415 L HA 0.236 4.576 4.340 -0.000 0.000 0.288 415 L C 1.331 178.223 176.870 0.037 0.000 1.058 415 L CA -0.227 54.613 54.840 -0.001 0.000 0.809 415 L CB 1.137 43.170 42.059 -0.044 0.000 1.179 415 L HN 0.080 nan 8.230 nan 0.000 0.429 416 I N 2.707 123.306 120.570 0.049 0.000 2.361 416 I HA -0.277 3.892 4.170 -0.000 0.000 0.251 416 I C 2.335 178.482 176.117 0.050 0.000 1.133 416 I CA 1.525 62.861 61.300 0.061 0.000 1.413 416 I CB 0.341 38.388 38.000 0.077 0.000 1.073 416 I HN 0.858 nan 8.210 nan 0.000 0.424 417 A N -0.573 122.259 122.820 0.020 0.000 2.209 417 A HA -0.179 4.141 4.320 -0.000 0.000 0.212 417 A C 1.271 178.808 177.584 -0.077 0.000 1.158 417 A CA 0.291 52.296 52.037 -0.053 0.000 0.742 417 A CB -0.888 18.023 19.000 -0.148 0.000 0.790 417 A HN 0.611 nan 8.150 nan 0.000 0.472 418 H N -0.048 118.945 119.070 -0.128 0.000 2.899 418 H HA 0.295 4.851 4.556 -0.000 0.000 0.303 418 H C 1.316 176.586 175.328 -0.096 0.000 1.042 418 H CA 1.005 56.962 56.048 -0.151 0.000 1.479 418 H CB 0.244 29.922 29.762 -0.139 0.000 1.493 418 H HN 0.481 nan 8.280 nan 0.000 0.534 419 G N 5.023 113.434 108.800 -0.648 0.000 2.153 419 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.252 419 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.252 419 G C 0.091 174.874 174.900 -0.194 0.000 0.994 419 G CA 0.317 45.153 45.100 -0.441 0.000 0.698 419 G HN 0.686 nan 8.290 nan 0.000 0.521 420 R N -0.544 119.864 120.500 -0.154 0.000 2.744 420 R HA 0.538 4.878 4.340 -0.000 0.000 0.279 420 R C -0.774 175.487 176.300 -0.065 0.000 0.977 420 R CA -1.038 55.017 56.100 -0.075 0.000 0.906 420 R CB 1.469 31.751 30.300 -0.029 0.000 1.197 420 R HN 0.097 nan 8.270 nan 0.000 0.463 421 E N 1.144 121.330 120.200 -0.025 0.000 2.283 421 E HA 0.098 4.448 4.350 -0.000 0.000 0.267 421 E C 1.176 177.803 176.600 0.045 0.000 1.045 421 E CA -0.361 56.035 56.400 -0.005 0.000 0.884 421 E CB 1.732 31.439 29.700 0.011 0.000 1.106 421 E HN 0.297 nan 8.360 nan 0.000 0.408 422 V N 1.885 121.847 119.914 0.080 0.000 2.250 422 V HA -0.349 3.771 4.120 -0.000 0.000 0.253 422 V C 1.884 178.098 176.094 0.200 0.000 1.065 422 V CA 2.560 64.993 62.300 0.223 0.000 1.039 422 V CB -0.478 31.510 31.823 0.276 0.000 0.647 422 V HN 0.719 nan 8.190 nan 0.000 0.446 423 D N -0.556 119.927 120.400 0.140 0.000 2.149 423 D HA -0.184 4.456 4.640 -0.000 0.000 0.198 423 D C 2.149 178.505 176.300 0.094 0.000 0.990 423 D CA 1.525 55.596 54.000 0.118 0.000 0.839 423 D CB -0.090 40.765 40.800 0.092 0.000 0.948 423 D HN 0.641 nan 8.370 nan 0.000 0.460 424 E N -0.339 119.907 120.200 0.076 0.000 2.077 424 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 424 E C 2.324 178.969 176.600 0.075 0.000 0.989 424 E CA 0.827 57.261 56.400 0.058 0.000 0.800 424 E CB -0.085 29.636 29.700 0.035 0.000 0.746 424 E HN 0.442 nan 8.360 nan 0.000 0.452 425 I N 0.967 121.602 120.570 0.108 0.000 2.315 425 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 425 I C 2.728 178.921 176.117 0.127 0.000 1.117 425 I CA 0.907 62.289 61.300 0.137 0.000 1.404 425 I CB -0.291 37.848 38.000 0.232 0.000 1.071 425 I HN 0.023 nan 8.210 nan 0.000 0.419 426 R N 1.236 121.816 120.500 0.134 0.000 2.091 426 R HA -0.223 4.117 4.340 -0.000 0.000 0.238 426 R C 2.225 178.569 176.300 0.072 0.000 1.136 426 R CA 1.762 57.927 56.100 0.108 0.000 0.959 426 R CB -0.162 30.213 30.300 0.126 0.000 0.856 426 R HN 0.468 nan 8.270 nan 0.000 0.437 427 Q N 0.083 119.921 119.800 0.065 0.000 2.119 427 Q HA -0.118 4.222 4.340 -0.000 0.000 0.201 427 Q C 2.264 178.285 176.000 0.035 0.000 0.972 427 Q CA 1.484 57.312 55.803 0.043 0.000 0.847 427 Q CB -0.050 28.711 28.738 0.039 0.000 0.903 427 Q HN 0.451 nan 8.270 nan 0.000 0.433 428 I N 1.461 122.057 120.570 0.044 0.000 2.113 428 I HA -0.271 3.898 4.170 -0.000 0.000 0.238 428 I C 2.550 178.685 176.117 0.030 0.000 1.070 428 I CA 1.313 62.635 61.300 0.037 0.000 1.332 428 I CB -0.566 37.461 38.000 0.046 0.000 1.044 428 I HN 0.277 nan 8.210 nan 0.000 0.402 429 I N -0.649 119.943 120.570 0.037 0.000 2.614 429 I HA 0.080 4.250 4.170 -0.000 0.000 0.258 429 I C 1.441 177.565 176.117 0.012 0.000 1.189 429 I CA 1.106 62.421 61.300 0.025 0.000 1.462 429 I CB -0.769 37.250 38.000 0.031 0.000 1.092 429 I HN 0.426 nan 8.210 nan 0.000 0.442 430 G N 1.588 110.398 108.800 0.016 0.000 2.165 430 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.226 430 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.226 430 G C 0.196 175.090 174.900 -0.010 0.000 1.035 430 G CA 0.035 45.135 45.100 0.001 0.000 0.744 430 G HN 0.963 nan 8.290 nan 0.000 0.501 431 A N -0.567 122.258 122.820 0.009 0.000 2.271 431 A HA 0.680 5.000 4.320 -0.000 0.000 0.288 431 A C 0.966 178.546 177.584 -0.007 0.000 1.094 431 A CA 0.195 52.231 52.037 -0.001 0.000 0.828 431 A CB 0.575 19.608 19.000 0.055 0.000 1.091 431 A HN 0.165 nan 8.150 nan 0.000 0.493 432 D N 0.020 120.382 120.400 -0.065 0.000 2.339 432 D HA 0.287 4.927 4.640 -0.000 0.000 0.217 432 D C 0.550 176.910 176.300 0.101 0.000 1.050 432 D CA 1.253 55.228 54.000 -0.040 0.000 0.856 432 D CB 0.549 41.222 40.800 -0.211 0.000 0.922 432 D HN 0.731 nan 8.370 nan 0.000 0.518 433 G N 0.686 109.581 108.800 0.158 0.000 2.616 433 G HA2 0.443 4.403 3.960 -0.000 0.000 0.294 433 G HA3 0.443 4.403 3.960 -0.000 0.000 0.294 433 G C -2.294 172.833 174.900 0.377 0.000 1.489 433 G CA -0.692 44.514 45.100 0.177 0.000 0.836 433 G HN 0.046 nan 8.290 nan 0.000 0.527 434 L N 1.364 122.912 121.223 0.542 0.000 2.543 434 L HA 0.870 5.210 4.340 -0.000 0.000 0.265 434 L C -1.685 175.285 176.870 0.166 0.000 0.945 434 L CA -0.706 54.304 54.840 0.284 0.000 0.869 434 L CB 1.697 43.808 42.059 0.087 0.000 1.294 434 L HN 0.751 nan 8.230 nan 0.000 0.405 435 I N 3.953 124.402 120.570 -0.201 0.000 2.647 435 I HA 0.616 4.786 4.170 -0.000 0.000 0.295 435 I C -1.497 174.350 176.117 -0.451 0.000 1.078 435 I CA -0.495 60.557 61.300 -0.414 0.000 1.048 435 I CB 1.693 39.074 38.000 -1.032 0.000 1.239 435 I HN 0.634 nan 8.210 nan 0.000 0.421 436 F N 4.169 124.031 119.950 -0.146 0.000 2.522 436 F HA 0.446 4.973 4.527 -0.000 0.000 0.324 436 F C 0.139 175.856 175.800 -0.138 0.000 1.077 436 F CA -0.604 57.335 58.000 -0.102 0.000 0.944 436 F CB 1.598 40.565 39.000 -0.055 0.000 1.175 436 F HN 0.393 nan 8.300 nan 0.000 0.468 437 Q N 1.923 121.768 119.800 0.075 0.000 2.361 437 Q HA 0.090 4.430 4.340 -0.000 0.000 0.276 437 Q C -0.850 175.127 176.000 -0.039 0.000 1.022 437 Q CA 0.111 55.895 55.803 -0.033 0.000 0.898 437 Q CB 0.447 29.149 28.738 -0.060 0.000 1.246 437 Q HN 0.411 nan 8.270 nan 0.000 0.410 438 D N 2.509 122.863 120.400 -0.077 0.000 2.344 438 D HA -0.008 4.632 4.640 -0.000 0.000 0.244 438 D C 0.806 177.021 176.300 -0.142 0.000 1.134 438 D CA -0.221 53.727 54.000 -0.087 0.000 0.930 438 D CB 0.947 41.702 40.800 -0.076 0.000 1.175 438 D HN 0.612 nan 8.370 nan 0.000 0.437 439 L N 2.348 123.481 121.223 -0.150 0.000 2.027 439 L HA -0.138 4.201 4.340 -0.000 0.000 0.206 439 L C 1.546 178.320 176.870 -0.160 0.000 1.074 439 L CA 1.634 56.353 54.840 -0.201 0.000 0.745 439 L CB -0.493 41.487 42.059 -0.132 0.000 0.898 439 L HN 0.275 nan 8.230 nan 0.000 0.433 440 N N 0.067 118.706 118.700 -0.102 0.000 2.364 440 N HA -0.170 4.570 4.740 -0.000 0.000 0.183 440 N C 1.336 176.785 175.510 -0.101 0.000 1.022 440 N CA 1.304 54.305 53.050 -0.082 0.000 0.883 440 N CB -0.339 38.118 38.487 -0.051 0.000 0.965 440 N HN 0.477 nan 8.380 nan 0.000 0.438 441 D N 0.344 120.674 120.400 -0.116 0.000 2.137 441 D HA -0.048 4.592 4.640 -0.000 0.000 0.202 441 D C 2.047 178.254 176.300 -0.155 0.000 0.970 441 D CA 0.170 54.099 54.000 -0.118 0.000 0.837 441 D CB -0.194 40.541 40.800 -0.108 0.000 0.981 441 D HN 0.101 nan 8.370 nan 0.000 0.475 442 L N 0.970 122.073 121.223 -0.200 0.000 1.970 442 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 442 L C 2.223 178.908 176.870 -0.307 0.000 1.071 442 L CA 1.421 56.110 54.840 -0.252 0.000 0.751 442 L CB -0.533 41.321 42.059 -0.342 0.000 0.889 442 L HN -0.042 nan 8.230 nan 0.000 0.432 443 I N -0.316 120.061 120.570 -0.322 0.000 2.208 443 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 443 I C 1.958 177.924 176.117 -0.251 0.000 1.097 443 I CA 1.492 62.554 61.300 -0.397 0.000 1.363 443 I CB -0.588 37.292 38.000 -0.200 0.000 1.051 443 I HN 0.305 nan 8.210 nan 0.000 0.413 444 D N 0.797 121.105 120.400 -0.153 0.000 2.178 444 D HA -0.092 4.548 4.640 -0.000 0.000 0.202 444 D C 2.299 178.529 176.300 -0.118 0.000 0.974 444 D CA 1.387 55.329 54.000 -0.097 0.000 0.841 444 D CB -0.217 40.540 40.800 -0.071 0.000 0.953 444 D HN 0.357 nan 8.370 nan 0.000 0.478 445 A N 0.475 123.201 122.820 -0.157 0.000 1.902 445 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 445 A C 2.448 179.925 177.584 -0.179 0.000 1.181 445 A CA 1.293 53.238 52.037 -0.153 0.000 0.623 445 A CB -0.554 18.352 19.000 -0.157 0.000 0.818 445 A HN 0.164 nan 8.150 nan 0.000 0.443 446 V N -0.355 119.398 119.914 -0.269 0.000 2.379 446 V HA -0.151 3.969 4.120 -0.000 0.000 0.243 446 V C 2.501 178.511 176.094 -0.140 0.000 1.035 446 V CA 1.695 63.797 62.300 -0.330 0.000 1.035 446 V CB -0.782 30.641 31.823 -0.667 0.000 0.673 446 V HN 0.490 nan 8.190 nan 0.000 0.457 447 R N 0.711 121.192 120.500 -0.032 0.000 2.127 447 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 447 R C 2.376 178.691 176.300 0.025 0.000 1.134 447 R CA 1.359 57.519 56.100 0.101 0.000 0.975 447 R CB -0.696 29.682 30.300 0.130 0.000 0.865 447 R HN 0.518 nan 8.270 nan 0.000 0.447 448 A N 1.401 124.208 122.820 -0.021 0.000 2.093 448 A HA -0.204 4.116 4.320 -0.000 0.000 0.222 448 A C 1.660 179.239 177.584 -0.009 0.000 1.162 448 A CA 1.548 53.571 52.037 -0.022 0.000 0.655 448 A CB -0.170 18.802 19.000 -0.046 0.000 0.805 448 A HN 0.223 nan 8.150 nan 0.000 0.461 449 E N -1.402 118.793 120.200 -0.009 0.000 2.340 449 E HA 0.024 4.374 4.350 -0.000 0.000 0.194 449 E C -0.019 176.604 176.600 0.039 0.000 0.996 449 E CA 0.419 56.828 56.400 0.015 0.000 0.869 449 E CB 0.037 29.743 29.700 0.009 0.000 0.835 449 E HN 0.588 nan 8.360 nan 0.000 0.493 450 N N -0.055 118.669 118.700 0.040 0.000 2.839 450 N HA 0.149 4.889 4.740 -0.000 0.000 0.230 450 N C -2.553 172.981 175.510 0.040 0.000 1.388 450 N CA -1.227 51.851 53.050 0.046 0.000 0.747 450 N CB 1.141 39.663 38.487 0.058 0.000 1.411 450 N HN -0.292 nan 8.380 nan 0.000 0.556 451 P HA -0.078 nan 4.420 nan 0.000 0.222 451 P C 0.404 177.713 177.300 0.014 0.000 1.142 451 P CA 0.934 64.053 63.100 0.031 0.000 0.788 451 P CB 0.355 32.068 31.700 0.022 0.000 0.767 452 D N -0.604 119.799 120.400 0.004 0.000 2.149 452 D HA -0.102 4.538 4.640 -0.000 0.000 0.198 452 D C 0.863 177.135 176.300 -0.046 0.000 0.990 452 D CA 0.818 54.810 54.000 -0.013 0.000 0.839 452 D CB -0.534 40.262 40.800 -0.007 0.000 0.948 452 D HN 0.136 nan 8.370 nan 0.000 0.460 453 I N 2.517 123.041 120.570 -0.077 0.000 2.671 453 I HA -0.080 4.090 4.170 -0.000 0.000 0.285 453 I C 1.516 177.548 176.117 -0.140 0.000 1.148 453 I CA 0.392 61.567 61.300 -0.208 0.000 1.386 453 I CB 0.674 38.418 38.000 -0.426 0.000 1.406 453 I HN -0.026 nan 8.210 nan 0.000 0.540 454 Q N 4.511 124.239 119.800 -0.121 0.000 2.165 454 Q HA 0.069 4.409 4.340 -0.000 0.000 0.197 454 Q C 0.699 176.696 176.000 -0.005 0.000 0.952 454 Q CA 0.884 56.665 55.803 -0.037 0.000 0.848 454 Q CB 0.538 29.260 28.738 -0.028 0.000 0.931 454 Q HN 0.683 nan 8.270 nan 0.000 0.470 455 Q N -0.792 118.957 119.800 -0.085 0.000 2.397 455 Q HA 0.456 4.796 4.340 -0.000 0.000 0.275 455 Q C -1.523 174.401 176.000 -0.126 0.000 1.090 455 Q CA -0.390 55.417 55.803 0.007 0.000 0.809 455 Q CB 1.554 30.298 28.738 0.011 0.000 1.362 455 Q HN -0.065 nan 8.270 nan 0.000 0.431 456 F N 0.710 120.686 119.950 0.045 0.000 2.523 456 F HA 0.291 4.818 4.527 -0.000 0.000 0.329 456 F C 0.371 176.220 175.800 0.082 0.000 1.061 456 F CA -0.766 57.282 58.000 0.080 0.000 0.967 456 F CB 1.443 40.510 39.000 0.112 0.000 1.218 456 F HN 0.402 nan 8.300 nan 0.000 0.480 457 E N 1.731 122.095 120.200 0.273 0.000 2.070 457 E HA 0.196 4.546 4.350 -0.000 0.000 0.282 457 E C -0.537 176.213 176.600 0.251 0.000 1.104 457 E CA -0.027 56.487 56.400 0.190 0.000 0.876 457 E CB 0.417 30.197 29.700 0.132 0.000 1.055 457 E HN 0.755 nan 8.360 nan 0.000 0.401 458 C N 2.098 121.510 119.300 0.187 0.000 3.144 458 C HA 0.261 4.721 4.460 -0.000 0.000 0.253 458 C C 1.868 176.859 174.990 0.002 0.000 2.010 458 C CA -0.050 59.093 59.018 0.209 0.000 1.698 458 C CB -1.442 26.550 27.740 0.421 0.000 3.346 458 C HN 0.580 nan 8.230 nan 0.000 0.449 459 S N 2.203 117.784 115.700 -0.199 0.000 2.392 459 S HA -0.261 4.209 4.470 -0.000 0.000 0.232 459 S C 1.712 176.100 174.600 -0.353 0.000 1.041 459 S CA 2.142 60.002 58.200 -0.567 0.000 1.026 459 S CB -1.192 61.249 63.200 -1.265 0.000 0.845 459 S HN 1.268 nan 8.310 nan 0.000 0.465 460 V N -1.538 118.189 119.914 -0.312 0.000 2.469 460 V HA -0.104 4.016 4.120 -0.000 0.000 0.251 460 V C 2.092 178.059 176.094 -0.211 0.000 1.064 460 V CA 1.656 63.764 62.300 -0.320 0.000 1.066 460 V CB -1.497 29.918 31.823 -0.681 0.000 0.667 460 V HN 0.399 nan 8.190 nan 0.000 0.461 461 F N 2.532 122.544 119.950 0.105 0.000 2.164 461 F HA 0.164 4.691 4.527 -0.000 0.000 0.287 461 F C 2.073 178.026 175.800 0.256 0.000 1.086 461 F CA 1.193 59.269 58.000 0.127 0.000 1.249 461 F CB -0.835 38.190 39.000 0.042 0.000 1.059 461 F HN 0.473 nan 8.300 nan 0.000 0.490 462 N N -0.607 118.242 118.700 0.249 0.000 2.234 462 N HA 0.204 4.943 4.740 -0.000 0.000 0.227 462 N C 1.299 176.498 175.510 -0.520 0.000 1.151 462 N CA 0.449 53.519 53.050 0.033 0.000 0.865 462 N CB -0.006 38.494 38.487 0.023 0.000 1.066 462 N HN 0.317 nan 8.380 nan 0.000 0.515 463 G N -0.429 107.643 108.800 -1.213 0.000 2.200 463 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.268 463 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.268 463 G C -0.269 174.193 174.900 -0.730 0.000 0.986 463 G CA 0.789 44.898 45.100 -1.651 0.000 0.677 463 G HN 0.342 nan 8.290 nan 0.000 0.532 464 V N 0.724 120.318 119.914 -0.533 0.000 2.385 464 V HA 0.467 4.587 4.120 -0.000 0.000 0.269 464 V C -0.187 175.728 176.094 -0.298 0.000 1.043 464 V CA -0.616 61.530 62.300 -0.256 0.000 0.906 464 V CB 0.663 32.414 31.823 -0.119 0.000 0.995 464 V HN 0.240 nan 8.190 nan 0.000 0.467 465 Y N 4.054 124.347 120.300 -0.012 0.000 2.491 465 Y HA 0.283 4.833 4.550 -0.000 0.000 0.334 465 Y C 1.173 177.136 175.900 0.105 0.000 0.969 465 Y CA -0.703 57.448 58.100 0.085 0.000 1.241 465 Y CB 1.456 39.927 38.460 0.018 0.000 1.105 465 Y HN 0.545 nan 8.280 nan 0.000 0.503 466 V N -0.338 119.710 119.914 0.223 0.000 2.439 466 V HA -0.295 3.825 4.120 -0.000 0.000 0.253 466 V C 1.747 177.902 176.094 0.101 0.000 1.074 466 V CA 2.549 64.915 62.300 0.110 0.000 1.076 466 V CB -1.223 30.616 31.823 0.027 0.000 0.664 466 V HN 0.850 nan 8.190 nan 0.000 0.461 467 T N -2.676 111.981 114.554 0.172 0.000 3.051 467 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 467 T C 1.164 175.907 174.700 0.072 0.000 1.127 467 T CA 0.874 63.039 62.100 0.109 0.000 1.107 467 T CB -0.740 68.225 68.868 0.162 0.000 0.898 467 T HN 0.709 nan 8.240 nan 0.000 0.517 468 K N 1.007 121.460 120.400 0.089 0.000 3.020 468 K HA -0.192 4.128 4.320 -0.000 0.000 0.266 468 K C -0.243 176.352 176.600 -0.009 0.000 1.067 468 K CA 1.095 57.407 56.287 0.043 0.000 0.780 468 K CB -1.376 31.142 32.500 0.031 0.000 1.220 468 K HN 0.780 nan 8.250 nan 0.000 0.483 469 D N -1.523 118.847 120.400 -0.051 0.000 2.500 469 D HA 0.108 4.748 4.640 -0.000 0.000 0.217 469 D C 0.139 176.276 176.300 -0.271 0.000 1.159 469 D CA -0.286 53.639 54.000 -0.125 0.000 0.828 469 D CB 0.471 41.203 40.800 -0.114 0.000 1.039 469 D HN -0.010 nan 8.370 nan 0.000 0.512 470 V N 1.578 121.313 119.914 -0.298 0.000 2.481 470 V HA 0.536 4.656 4.120 -0.000 0.000 0.286 470 V C -0.241 175.682 176.094 -0.284 0.000 1.042 470 V CA -0.356 61.653 62.300 -0.485 0.000 0.928 470 V CB 1.356 32.698 31.823 -0.802 0.000 0.986 470 V HN 0.344 nan 8.190 nan 0.000 0.462 471 D N 2.229 122.532 120.400 -0.161 0.000 2.752 471 D HA 0.309 4.949 4.640 -0.000 0.000 0.313 471 D C 0.496 176.805 176.300 0.014 0.000 1.225 471 D CA -0.726 53.243 54.000 -0.053 0.000 0.976 471 D CB 1.055 41.846 40.800 -0.013 0.000 1.443 471 D HN 0.122 nan 8.370 nan 0.000 0.515 472 Q N -0.050 119.769 119.800 0.032 0.000 2.050 472 Q HA 0.079 4.419 4.340 -0.000 0.000 0.202 472 Q C 2.033 178.068 176.000 0.058 0.000 0.980 472 Q CA 2.540 58.373 55.803 0.049 0.000 0.840 472 Q CB -0.957 27.811 28.738 0.050 0.000 0.898 472 Q HN 0.701 nan 8.270 nan 0.000 0.424 473 G N -0.790 108.049 108.800 0.065 0.000 2.446 473 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.217 473 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.217 473 G C 1.360 176.342 174.900 0.137 0.000 1.168 473 G CA 0.982 46.125 45.100 0.071 0.000 0.771 473 G HN 0.509 nan 8.290 nan 0.000 0.551 474 Y N 1.154 121.475 120.300 0.034 0.000 2.165 474 Y HA -0.081 4.469 4.550 -0.000 0.000 0.286 474 Y C 2.612 178.511 175.900 -0.001 0.000 1.155 474 Y CA 1.485 59.604 58.100 0.031 0.000 1.164 474 Y CB -0.205 38.204 38.460 -0.084 0.000 0.978 474 Y HN 0.110 nan 8.280 nan 0.000 0.513 475 L N -0.334 120.898 121.223 0.016 0.000 2.046 475 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 475 L C 1.946 178.778 176.870 -0.063 0.000 1.077 475 L CA 1.594 56.393 54.840 -0.068 0.000 0.747 475 L CB -0.638 41.424 42.059 0.005 0.000 0.896 475 L HN 0.193 nan 8.230 nan 0.000 0.432 476 D N -0.347 120.049 120.400 -0.005 0.000 2.144 476 D HA -0.193 4.447 4.640 -0.000 0.000 0.199 476 D C 1.821 178.133 176.300 0.020 0.000 0.984 476 D CA 0.885 54.883 54.000 -0.003 0.000 0.834 476 D CB -0.156 40.644 40.800 -0.001 0.000 0.955 476 D HN 0.103 nan 8.370 nan 0.000 0.465 477 F N 1.436 121.276 119.950 -0.183 0.000 2.026 477 F HA -0.152 4.375 4.527 -0.000 0.000 0.296 477 F C 2.098 177.752 175.800 -0.244 0.000 1.133 477 F CA 1.132 59.001 58.000 -0.218 0.000 1.188 477 F CB -0.949 37.876 39.000 -0.292 0.000 0.968 477 F HN -0.089 nan 8.300 nan 0.000 0.476 478 L N 0.258 121.417 121.223 -0.107 0.000 1.978 478 L HA -0.327 4.013 4.340 -0.000 0.000 0.218 478 L C 2.360 179.181 176.870 -0.081 0.000 1.075 478 L CA 2.133 56.842 54.840 -0.218 0.000 0.767 478 L CB -1.036 40.829 42.059 -0.324 0.000 0.890 478 L HN 0.250 nan 8.230 nan 0.000 0.434 479 D N -0.825 119.533 120.400 -0.070 0.000 2.160 479 D HA -0.231 4.409 4.640 -0.000 0.000 0.189 479 D C 1.883 178.165 176.300 -0.031 0.000 1.003 479 D CA 2.436 56.404 54.000 -0.054 0.000 0.846 479 D CB -0.037 40.730 40.800 -0.055 0.000 0.949 479 D HN 0.218 nan 8.370 nan 0.000 0.446 480 T N -0.108 114.440 114.554 -0.009 0.000 2.643 480 T HA -0.158 4.191 4.350 -0.000 0.000 0.264 480 T C 1.861 176.567 174.700 0.009 0.000 1.045 480 T CA 1.297 63.392 62.100 -0.009 0.000 1.155 480 T CB -0.641 68.209 68.868 -0.030 0.000 0.863 480 T HN 0.133 nan 8.240 nan 0.000 0.420 481 L N 0.866 122.124 121.223 0.059 0.000 2.013 481 L HA -0.048 4.292 4.340 -0.000 0.000 0.212 481 L C 1.947 178.821 176.870 0.006 0.000 1.073 481 L CA 1.855 56.733 54.840 0.062 0.000 0.753 481 L CB -0.215 41.925 42.059 0.135 0.000 0.890 481 L HN 0.094 nan 8.230 nan 0.000 0.432 482 R N -0.444 120.042 120.500 -0.022 0.000 2.577 482 R HA 0.171 4.511 4.340 -0.000 0.000 0.344 482 R C -0.091 176.185 176.300 -0.041 0.000 1.037 482 R CA 0.002 56.079 56.100 -0.040 0.000 1.102 482 R CB -0.387 29.873 30.300 -0.066 0.000 1.313 482 R HN 0.543 nan 8.270 nan 0.000 0.561 483 N N -0.033 118.646 118.700 -0.034 0.000 2.479 483 N HA -0.092 4.648 4.740 -0.000 0.000 0.257 483 N C 0.550 176.043 175.510 -0.028 0.000 1.232 483 N CA -0.172 52.856 53.050 -0.035 0.000 0.920 483 N CB 0.722 39.189 38.487 -0.034 0.000 1.105 483 N HN -0.178 nan 8.380 nan 0.000 0.444 484 D N 0.946 121.330 120.400 -0.028 0.000 2.248 484 D HA -0.280 4.360 4.640 -0.000 0.000 0.191 484 D C 0.506 176.796 176.300 -0.017 0.000 1.013 484 D CA 1.860 55.846 54.000 -0.022 0.000 0.883 484 D CB -0.183 40.606 40.800 -0.020 0.000 0.915 484 D HN 0.733 nan 8.370 nan 0.000 0.448 485 D N -1.014 119.377 120.400 -0.016 0.000 2.149 485 D HA 0.026 4.666 4.640 -0.000 0.000 0.201 485 D C 1.976 178.269 176.300 -0.012 0.000 0.972 485 D CA 1.405 55.398 54.000 -0.013 0.000 0.835 485 D CB -0.307 40.485 40.800 -0.013 0.000 0.966 485 D HN 0.318 nan 8.370 nan 0.000 0.476 486 A N 0.807 123.618 122.820 -0.014 0.000 1.877 486 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 486 A C 1.986 179.563 177.584 -0.010 0.000 1.186 486 A CA 1.440 53.470 52.037 -0.012 0.000 0.620 486 A CB -0.361 18.631 19.000 -0.013 0.000 0.822 486 A HN 0.078 nan 8.150 nan 0.000 0.443 487 K N -0.309 120.082 120.400 -0.014 0.000 2.002 487 K HA -0.031 4.289 4.320 -0.000 0.000 0.209 487 K C 2.361 178.956 176.600 -0.008 0.000 1.048 487 K CA 1.175 57.455 56.287 -0.013 0.000 0.930 487 K CB -0.378 32.111 32.500 -0.019 0.000 0.714 487 K HN 0.414 nan 8.250 nan 0.000 0.438 488 A N 1.021 123.835 122.820 -0.009 0.000 1.908 488 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 488 A C 2.397 179.978 177.584 -0.004 0.000 1.181 488 A CA 1.656 53.689 52.037 -0.006 0.000 0.627 488 A CB -0.854 18.143 19.000 -0.006 0.000 0.818 488 A HN 0.100 nan 8.150 nan 0.000 0.445 489 V N -0.085 119.826 119.914 -0.005 0.000 2.261 489 V HA -0.342 3.778 4.120 -0.000 0.000 0.246 489 V C 2.698 178.790 176.094 -0.002 0.000 1.047 489 V CA 2.426 64.724 62.300 -0.004 0.000 1.015 489 V CB -0.834 30.986 31.823 -0.005 0.000 0.642 489 V HN 0.679 nan 8.190 nan 0.000 0.446 490 Q N -0.630 119.168 119.800 -0.002 0.000 2.135 490 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 490 Q C 2.417 178.418 176.000 0.001 0.000 0.981 490 Q CA 1.555 57.358 55.803 -0.000 0.000 0.856 490 Q CB -0.249 28.489 28.738 -0.000 0.000 0.902 490 Q HN 0.612 nan 8.270 nan 0.000 0.425 491 R N 0.328 120.829 120.500 0.001 0.000 2.096 491 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 491 R C 1.118 177.420 176.300 0.003 0.000 1.127 491 R CA 0.633 56.735 56.100 0.002 0.000 0.968 491 R CB -0.160 30.141 30.300 0.002 0.000 0.861 491 R HN 0.275 nan 8.270 nan 0.000 0.440 492 Q N 0.000 119.801 119.800 0.002 0.000 2.315 492 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 492 Q CA 0.000 55.804 55.803 0.002 0.000 1.022 492 Q CB 0.000 28.738 28.738 0.001 0.000 1.108 492 Q HN 0.000 nan 8.270 nan 0.000 0.481