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 1ppi_1_A DATA FIRST_RESID 1 DATA SEQUENCE QYAPQTQSGR TSIVHLFEWR WVDIALEcER YLGPKGFGGV QVSPPNENVV DATA SEQUENCE VTNPSRPWWE RYQPVSYKLc TRSGNENEFR DMVTRcNNVG VRIYVDAVIN DATA SEQUENCE HMCGSGAAAG TGTTcGSYCN PGSREFPAVP YSAWDFNDGK cKTASGGIES DATA SEQUENCE YNDPYQVRDc QLVGLLDLAL EKDYVRSMIA DYLNKLIDIG VAGFRIDASK DATA SEQUENCE HMWPGDIKAV LDKLHNLNTN WFPAGSRPFI FQEVIDLGGE AIKSSEYFGN DATA SEQUENCE GRVTEFKYGA KLGTVVRKWS GEKMSYLKNW GEGWGFMPSD RALVFVDNHD DATA SEQUENCE NQRGHGAGGS SILTFWDARL YKVAVGFMLA HPYGFTRVMS SYRWARNFVN DATA SEQUENCE GEDVNDWIGP PNNNGVIKEV TINADTTcGN DWVcEHRWRE IRNMVWFRNV DATA SEQUENCE VDGEPFANWW DNGSNQVAFG RGNRGFIVFN NDDWQLSSTL QTGLPGGTYc DATA SEQUENCE DVISGDKVGN ScTGIKVYVS SDGTAQFSIS NSAEDPFIAI HAESKL 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.907 176.000 -0.155 0.000 1.003 1 Q CA 0.000 55.683 55.803 -0.200 0.000 1.022 1 Q CB 0.000 28.481 28.738 -0.428 0.000 1.108 2 Y N 0.149 120.554 120.300 0.175 0.000 2.458 2 Y HA 0.717 5.267 4.550 -0.001 0.000 0.254 2 Y C 0.539 176.509 175.900 0.118 0.000 1.120 2 Y CA 0.021 58.242 58.100 0.201 0.000 1.282 2 Y CB 0.641 39.139 38.460 0.063 0.000 1.109 2 Y HN 0.094 nan 8.280 nan 0.000 0.526 3 A N 3.165 126.096 122.820 0.185 0.000 2.354 3 A HA 0.259 4.579 4.320 -0.000 0.000 0.281 3 A C -1.469 175.924 177.584 -0.318 0.000 1.174 3 A CA -1.357 50.651 52.037 -0.048 0.000 0.828 3 A CB 0.211 19.218 19.000 0.011 0.000 1.099 3 A HN 0.078 nan 8.150 nan 0.000 0.516 4 P HA -0.133 nan 4.420 nan 0.000 0.226 4 P C -0.085 176.907 177.300 -0.514 0.000 1.153 4 P CA 0.691 62.859 63.100 -1.554 0.000 0.777 4 P CB 0.191 30.803 31.700 -1.814 0.000 0.794 5 Q N -0.826 118.856 119.800 -0.196 0.000 2.489 5 Q HA -0.110 4.230 4.340 -0.000 0.000 0.259 5 Q C 0.209 176.285 176.000 0.128 0.000 0.934 5 Q CA 1.310 57.142 55.803 0.049 0.000 1.131 5 Q CB -3.194 25.609 28.738 0.109 0.000 1.472 5 Q HN 0.498 nan 8.270 nan 0.000 0.560 6 T N -2.444 112.135 114.554 0.041 0.000 2.860 6 T HA 0.339 4.689 4.350 -0.000 0.000 0.299 6 T C 0.599 175.328 174.700 0.048 0.000 1.045 6 T CA -0.672 61.480 62.100 0.085 0.000 1.071 6 T CB 1.838 70.767 68.868 0.102 0.000 0.985 6 T HN 0.162 nan 8.240 nan 0.000 0.537 7 Q N 0.997 120.813 119.800 0.027 0.000 2.428 7 Q HA 0.047 4.386 4.340 -0.000 0.000 0.276 7 Q C -0.325 175.667 176.000 -0.013 0.000 1.059 7 Q CA 0.252 56.051 55.803 -0.006 0.000 0.923 7 Q CB 0.371 29.098 28.738 -0.019 0.000 1.283 7 Q HN 0.829 nan 8.270 nan 0.000 0.447 8 S N 1.395 117.080 115.700 -0.024 0.000 2.546 8 S HA 0.304 4.774 4.470 -0.000 0.000 0.290 8 S C 0.846 175.409 174.600 -0.062 0.000 1.262 8 S CA 0.403 58.582 58.200 -0.035 0.000 1.083 8 S CB -0.012 63.169 63.200 -0.032 0.000 0.859 8 S HN 0.861 nan 8.310 nan 0.000 0.495 9 G N 3.059 111.817 108.800 -0.069 0.000 2.147 9 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.244 9 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.244 9 G C -0.118 174.692 174.900 -0.150 0.000 1.005 9 G CA -0.308 44.722 45.100 -0.116 0.000 0.713 9 G HN 0.655 nan 8.290 nan 0.000 0.515 10 R N -0.028 120.417 120.500 -0.092 0.000 2.338 10 R HA 0.586 4.926 4.340 -0.000 0.000 0.317 10 R C 1.197 177.470 176.300 -0.045 0.000 0.968 10 R CA 0.227 56.273 56.100 -0.090 0.000 0.849 10 R CB 0.998 31.283 30.300 -0.026 0.000 1.128 10 R HN 0.311 nan 8.270 nan 0.000 0.448 11 T N -2.575 111.903 114.554 -0.126 0.000 3.091 11 T HA 0.268 4.618 4.350 -0.000 0.000 0.277 11 T C 0.188 174.579 174.700 -0.516 0.000 0.996 11 T CA -0.298 61.688 62.100 -0.190 0.000 0.897 11 T CB 0.472 69.216 68.868 -0.207 0.000 1.109 11 T HN 0.266 nan 8.240 nan 0.000 0.534 12 S N 1.365 116.861 115.700 -0.341 0.000 2.569 12 S HA 0.779 5.249 4.470 -0.000 0.000 0.280 12 S C -0.627 173.944 174.600 -0.048 0.000 1.111 12 S CA -1.041 56.920 58.200 -0.399 0.000 0.887 12 S CB 1.735 64.774 63.200 -0.268 0.000 1.095 12 S HN 0.587 nan 8.310 nan 0.000 0.476 13 I N -0.765 119.812 120.570 0.012 0.000 2.863 13 I HA 0.910 5.080 4.170 -0.000 0.000 0.311 13 I C -1.031 175.181 176.117 0.160 0.000 1.026 13 I CA -1.053 60.353 61.300 0.177 0.000 1.077 13 I CB 1.471 39.581 38.000 0.182 0.000 1.262 13 I HN 0.309 nan 8.210 nan 0.000 0.461 14 V N 2.303 122.320 119.914 0.172 0.000 2.604 14 V HA 0.343 4.463 4.120 -0.000 0.000 0.305 14 V C -0.441 175.703 176.094 0.083 0.000 1.043 14 V CA -0.531 61.825 62.300 0.092 0.000 0.888 14 V CB 1.280 33.039 31.823 -0.106 0.000 0.995 14 V HN 0.829 nan 8.190 nan 0.000 0.429 15 H N 4.966 124.018 119.070 -0.029 0.000 2.705 15 H HA 0.462 5.018 4.556 -0.000 0.000 0.291 15 H C -0.799 174.463 175.328 -0.111 0.000 1.085 15 H CA -0.774 55.274 56.048 -0.001 0.000 1.357 15 H CB 0.847 30.634 29.762 0.042 0.000 1.419 15 H HN 0.562 nan 8.280 nan 0.000 0.462 16 L N 7.674 128.796 121.223 -0.168 0.000 2.475 16 L HA 0.089 4.428 4.340 -0.000 0.000 0.253 16 L C -0.259 176.474 176.870 -0.229 0.000 1.137 16 L CA -0.666 53.780 54.840 -0.658 0.000 1.058 16 L CB -0.302 41.057 42.059 -1.166 0.000 1.382 16 L HN 0.560 nan 8.230 nan 0.000 0.416 17 F N 4.161 123.894 119.950 -0.362 0.000 2.590 17 F HA -0.019 4.507 4.527 -0.001 0.000 0.389 17 F C 1.415 177.433 175.800 0.362 0.000 1.049 17 F CA 0.221 58.106 58.000 -0.192 0.000 1.199 17 F CB -0.020 38.774 39.000 -0.343 0.000 1.058 17 F HN 0.508 nan 8.300 nan 0.000 0.556 18 E N 2.543 122.786 120.200 0.071 0.000 3.170 18 E HA -0.306 4.044 4.350 -0.000 0.000 0.284 18 E C -0.660 176.060 176.600 0.199 0.000 0.967 18 E CA 0.924 57.355 56.400 0.051 0.000 0.919 18 E CB -1.625 27.998 29.700 -0.128 0.000 1.469 18 E HN 0.583 nan 8.360 nan 0.000 0.444 19 W N 1.514 122.729 121.300 -0.140 0.000 2.202 19 W HA 0.233 4.893 4.660 -0.001 0.000 0.332 19 W C 1.475 177.831 176.519 -0.271 0.000 1.263 19 W CA -0.186 56.958 57.345 -0.334 0.000 1.223 19 W CB 0.276 29.549 29.460 -0.311 0.000 1.128 19 W HN -0.101 nan 8.180 nan 0.000 0.573 20 R N 1.644 122.074 120.500 -0.116 0.000 2.641 20 R HA 0.039 4.379 4.340 -0.000 0.000 0.269 20 R C 1.063 177.398 176.300 0.057 0.000 1.074 20 R CA -0.139 55.836 56.100 -0.209 0.000 1.133 20 R CB 0.462 30.659 30.300 -0.173 0.000 1.029 20 R HN 0.700 nan 8.270 nan 0.000 0.488 21 W N 0.904 122.257 121.300 0.089 0.000 2.363 21 W HA -0.186 4.474 4.660 -0.000 0.000 0.296 21 W C 1.931 178.471 176.519 0.034 0.000 1.212 21 W CA 0.355 57.743 57.345 0.072 0.000 1.260 21 W CB -0.256 29.266 29.460 0.104 0.000 1.131 21 W HN 0.460 nan 8.180 nan 0.000 0.530 22 V N -2.179 117.864 119.914 0.215 0.000 2.515 22 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 22 V C 1.582 177.730 176.094 0.090 0.000 1.058 22 V CA 2.063 64.435 62.300 0.121 0.000 1.064 22 V CB -0.818 31.045 31.823 0.066 0.000 0.675 22 V HN 0.035 nan 8.190 nan 0.000 0.461 23 D N 0.640 121.087 120.400 0.078 0.000 2.149 23 D HA 0.040 4.680 4.640 -0.000 0.000 0.201 23 D C 2.185 178.630 176.300 0.242 0.000 0.972 23 D CA 1.533 55.572 54.000 0.066 0.000 0.835 23 D CB 0.024 40.739 40.800 -0.143 0.000 0.966 23 D HN 0.496 nan 8.370 nan 0.000 0.476 24 I N 1.261 122.005 120.570 0.289 0.000 2.202 24 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 24 I C 2.545 178.721 176.117 0.097 0.000 1.091 24 I CA 0.816 62.238 61.300 0.202 0.000 1.368 24 I CB -0.255 37.853 38.000 0.179 0.000 1.058 24 I HN -0.099 nan 8.210 nan 0.000 0.410 25 A N 1.234 124.099 122.820 0.075 0.000 1.908 25 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 25 A C 2.291 179.900 177.584 0.042 0.000 1.181 25 A CA 1.565 53.616 52.037 0.022 0.000 0.627 25 A CB -0.907 18.102 19.000 0.015 0.000 0.818 25 A HN 0.391 nan 8.150 nan 0.000 0.445 26 L N -1.198 120.065 121.223 0.066 0.000 2.093 26 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 26 L C 2.603 179.530 176.870 0.095 0.000 1.085 26 L CA 1.618 56.498 54.840 0.067 0.000 0.755 26 L CB -0.454 41.638 42.059 0.056 0.000 0.904 26 L HN 0.420 nan 8.230 nan 0.000 0.435 27 E N -0.185 120.096 120.200 0.135 0.000 2.110 27 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 27 E C 2.270 178.940 176.600 0.117 0.000 0.988 27 E CA 1.406 57.906 56.400 0.165 0.000 0.804 27 E CB -0.253 29.574 29.700 0.212 0.000 0.745 27 E HN 0.420 nan 8.360 nan 0.000 0.458 28 c N 0.596 119.227 118.600 0.050 0.000 2.413 28 c HA -0.137 4.433 4.570 -0.000 0.000 0.276 28 c C 2.356 176.471 174.090 0.042 0.000 1.248 28 c CA 1.314 57.655 56.329 0.020 0.000 1.742 28 c CB -0.881 41.613 42.510 -0.027 0.000 2.017 28 c HN 0.533 nan 8.230 nan 0.000 0.481 29 E N 0.256 120.485 120.200 0.048 0.000 2.086 29 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 29 E C 2.366 179.009 176.600 0.072 0.000 0.975 29 E CA 0.721 57.150 56.400 0.048 0.000 0.813 29 E CB -0.221 29.502 29.700 0.039 0.000 0.768 29 E HN 0.698 nan 8.360 nan 0.000 0.457 30 R N -0.784 119.778 120.500 0.102 0.000 2.240 30 R HA -0.031 4.308 4.340 -0.000 0.000 0.203 30 R C 1.181 177.599 176.300 0.196 0.000 1.011 30 R CA 1.095 57.272 56.100 0.127 0.000 1.007 30 R CB 0.057 30.431 30.300 0.124 0.000 0.911 30 R HN 0.251 nan 8.270 nan 0.000 0.468 31 Y N -0.093 120.240 120.300 0.056 0.000 3.260 31 Y HA 0.244 4.794 4.550 -0.000 0.000 0.202 31 Y C 1.650 177.601 175.900 0.086 0.000 0.962 31 Y CA -0.278 57.864 58.100 0.069 0.000 1.582 31 Y CB 0.113 38.605 38.460 0.054 0.000 1.478 31 Y HN -0.146 nan 8.280 nan 0.000 0.384 32 L N 0.460 121.732 121.223 0.082 0.000 2.083 32 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 32 L C 2.439 179.376 176.870 0.111 0.000 1.083 32 L CA 1.686 56.528 54.840 0.004 0.000 0.752 32 L CB -1.006 41.028 42.059 -0.042 0.000 0.899 32 L HN 0.497 nan 8.230 nan 0.000 0.433 33 G N 0.434 109.276 108.800 0.069 0.000 2.464 33 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.214 33 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.214 33 G C -0.577 174.376 174.900 0.088 0.000 1.218 33 G CA 0.645 45.787 45.100 0.071 0.000 0.794 33 G HN 0.292 nan 8.290 nan 0.000 0.542 34 P HA -0.097 nan 4.420 nan 0.000 0.216 34 P C 1.482 178.848 177.300 0.110 0.000 1.154 34 P CA 1.273 64.412 63.100 0.064 0.000 0.865 34 P CB 0.102 31.815 31.700 0.021 0.000 0.789 35 K N -1.618 118.821 120.400 0.066 0.000 2.476 35 K HA 0.256 4.576 4.320 -0.000 0.000 0.196 35 K C 1.181 178.017 176.600 0.393 0.000 1.025 35 K CA 0.630 57.021 56.287 0.174 0.000 1.138 35 K CB -0.763 31.706 32.500 -0.051 0.000 0.860 35 K HN 0.241 nan 8.250 nan 0.000 0.515 36 G N 1.476 110.456 108.800 0.300 0.000 2.149 36 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.235 36 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.235 36 G C -0.253 174.645 174.900 -0.003 0.000 1.018 36 G CA -0.403 44.748 45.100 0.084 0.000 0.728 36 G HN 0.192 nan 8.290 nan 0.000 0.508 37 F N 0.489 120.455 119.950 0.028 0.000 2.412 37 F HA 0.526 5.052 4.527 -0.001 0.000 0.348 37 F C 1.805 177.622 175.800 0.028 0.000 1.102 37 F CA 0.746 58.767 58.000 0.034 0.000 1.196 37 F CB 1.399 40.438 39.000 0.064 0.000 1.144 37 F HN 0.004 nan 8.300 nan 0.000 0.541 38 G N 1.487 110.396 108.800 0.181 0.000 2.394 38 G HA2 0.372 4.331 3.960 -0.000 0.000 0.215 38 G HA3 0.372 4.331 3.960 -0.000 0.000 0.215 38 G C 0.518 175.558 174.900 0.233 0.000 1.165 38 G CA 0.742 45.947 45.100 0.174 0.000 0.784 38 G HN 1.018 nan 8.290 nan 0.000 0.535 39 G N -2.257 106.720 108.800 0.296 0.000 2.488 39 G HA2 0.453 4.413 3.960 -0.000 0.000 0.301 39 G HA3 0.453 4.413 3.960 -0.000 0.000 0.301 39 G C -2.242 172.824 174.900 0.276 0.000 1.339 39 G CA -0.209 45.072 45.100 0.302 0.000 0.803 39 G HN 0.500 nan 8.290 nan 0.000 0.482 40 V N 0.635 120.696 119.914 0.246 0.000 2.577 40 V HA 0.497 4.617 4.120 -0.000 0.000 0.303 40 V C -0.194 176.069 176.094 0.281 0.000 1.042 40 V CA -0.610 61.782 62.300 0.154 0.000 0.872 40 V CB 1.605 33.416 31.823 -0.020 0.000 0.998 40 V HN 0.833 nan 8.190 nan 0.000 0.423 41 Q N 3.727 123.709 119.800 0.302 0.000 2.294 41 Q HA 0.581 4.920 4.340 -0.000 0.000 0.257 41 Q C -0.530 175.668 176.000 0.329 0.000 0.955 41 Q CA -0.350 55.650 55.803 0.328 0.000 0.936 41 Q CB 1.715 30.598 28.738 0.243 0.000 1.188 41 Q HN 0.798 nan 8.270 nan 0.000 0.420 42 V N 1.114 121.217 119.914 0.316 0.000 2.966 42 V HA 0.598 4.718 4.120 -0.000 0.000 0.317 42 V C 0.100 176.480 176.094 0.477 0.000 1.070 42 V CA -0.826 61.724 62.300 0.417 0.000 1.008 42 V CB 1.688 33.759 31.823 0.414 0.000 1.070 42 V HN 0.766 nan 8.190 nan 0.000 0.457 43 S N 2.280 118.305 115.700 0.541 0.000 2.589 43 S HA 0.344 4.814 4.470 -0.000 0.000 0.265 43 S C -2.397 172.441 174.600 0.397 0.000 1.342 43 S CA -0.331 58.133 58.200 0.441 0.000 1.005 43 S CB 0.152 63.546 63.200 0.323 0.000 0.909 43 S HN 0.845 nan 8.310 nan 0.000 0.555 44 P HA 0.058 nan 4.420 nan 0.000 0.260 44 P C -1.798 175.660 177.300 0.264 0.000 1.185 44 P CA -0.764 62.435 63.100 0.165 0.000 0.763 44 P CB 0.099 31.778 31.700 -0.035 0.000 0.776 45 P HA -0.085 nan 4.420 nan 0.000 0.236 45 P C -0.114 177.278 177.300 0.153 0.000 1.177 45 P CA 0.868 64.135 63.100 0.278 0.000 0.773 45 P CB 0.189 31.769 31.700 -0.200 0.000 0.878 46 N N 0.472 119.237 118.700 0.108 0.000 2.495 46 N HA 0.067 4.807 4.740 -0.000 0.000 0.280 46 N C -0.207 175.292 175.510 -0.018 0.000 1.168 46 N CA -0.585 52.469 53.050 0.006 0.000 0.978 46 N CB 1.197 39.606 38.487 -0.130 0.000 1.191 46 N HN -0.055 nan 8.380 nan 0.000 0.497 47 E N 0.077 120.246 120.200 -0.052 0.000 2.452 47 E HA -0.076 4.273 4.350 -0.000 0.000 0.261 47 E C -0.376 176.192 176.600 -0.053 0.000 0.987 47 E CA 0.052 56.425 56.400 -0.045 0.000 0.926 47 E CB 0.306 29.975 29.700 -0.053 0.000 0.934 47 E HN 0.736 nan 8.360 nan 0.000 0.452 48 N N 2.201 120.887 118.700 -0.025 0.000 2.405 48 N HA 0.220 4.959 4.740 -0.000 0.000 0.285 48 N C -0.899 174.613 175.510 0.003 0.000 1.262 48 N CA -0.785 52.261 53.050 -0.008 0.000 0.773 48 N CB 1.464 39.949 38.487 -0.004 0.000 1.490 48 N HN 0.273 nan 8.380 nan 0.000 0.486 49 V N 0.769 120.698 119.914 0.025 0.000 2.843 49 V HA 0.073 4.193 4.120 -0.000 0.000 0.305 49 V C -0.089 176.003 176.094 -0.002 0.000 1.065 49 V CA -0.269 62.040 62.300 0.014 0.000 1.116 49 V CB 1.144 32.990 31.823 0.039 0.000 0.968 49 V HN 0.461 nan 8.190 nan 0.000 0.487 50 V N 7.223 127.124 119.914 -0.021 0.000 2.408 50 V HA 0.235 4.355 4.120 -0.000 0.000 0.267 50 V C 0.043 176.111 176.094 -0.042 0.000 1.047 50 V CA -0.228 62.049 62.300 -0.038 0.000 0.937 50 V CB 1.423 33.222 31.823 -0.040 0.000 0.999 50 V HN 0.612 nan 8.190 nan 0.000 0.472 51 V N 5.509 125.384 119.914 -0.065 0.000 2.350 51 V HA 0.255 4.375 4.120 -0.000 0.000 0.276 51 V C 1.157 177.177 176.094 -0.123 0.000 1.028 51 V CA 0.245 62.497 62.300 -0.080 0.000 0.860 51 V CB 1.382 33.139 31.823 -0.110 0.000 0.990 51 V HN 1.048 nan 8.190 nan 0.000 0.453 52 T N 0.705 115.199 114.554 -0.101 0.000 3.015 52 T HA 0.134 4.484 4.350 -0.000 0.000 0.250 52 T C 0.616 175.231 174.700 -0.142 0.000 1.057 52 T CA 0.060 62.095 62.100 -0.107 0.000 1.066 52 T CB -0.052 68.773 68.868 -0.073 0.000 0.959 52 T HN 0.451 nan 8.240 nan 0.000 0.488 53 N N 3.014 121.627 118.700 -0.145 0.000 2.524 53 N HA 0.447 5.186 4.740 -0.000 0.000 0.261 53 N C -2.699 172.676 175.510 -0.224 0.000 0.998 53 N CA -1.650 51.289 53.050 -0.186 0.000 0.915 53 N CB 1.681 40.097 38.487 -0.119 0.000 1.187 53 N HN 0.115 nan 8.380 nan 0.000 0.507 54 P HA 0.081 nan 4.420 nan 0.000 0.274 54 P C -0.481 176.489 177.300 -0.550 0.000 1.260 54 P CA -0.433 62.206 63.100 -0.769 0.000 0.793 54 P CB 0.672 31.360 31.700 -1.687 0.000 1.048 55 S N 1.454 116.893 115.700 -0.435 0.000 2.430 55 S HA 0.084 4.553 4.470 -0.000 0.000 0.282 55 S C 0.077 174.645 174.600 -0.052 0.000 1.186 55 S CA -0.377 57.730 58.200 -0.155 0.000 1.060 55 S CB -0.975 62.204 63.200 -0.034 0.000 0.966 55 S HN 0.356 nan 8.310 nan 0.000 0.501 56 R N 1.924 122.350 120.500 -0.124 0.000 3.059 56 R HA -0.107 4.233 4.340 -0.000 0.000 0.251 56 R C -2.610 173.612 176.300 -0.130 0.000 0.886 56 R CA 0.213 56.238 56.100 -0.125 0.000 0.634 56 R CB -2.737 27.518 30.300 -0.074 0.000 1.282 56 R HN 0.527 nan 8.270 nan 0.000 0.487 57 P HA -0.036 nan 4.420 nan 0.000 0.272 57 P C 1.519 178.565 177.300 -0.423 0.000 1.230 57 P CA -0.429 62.373 63.100 -0.497 0.000 0.788 57 P CB 0.238 31.058 31.700 -1.467 0.000 0.949 58 W N 2.907 124.093 121.300 -0.189 0.000 2.374 58 W HA -0.115 4.544 4.660 -0.001 0.000 0.288 58 W C 1.586 178.208 176.519 0.171 0.000 1.218 58 W CA 0.871 58.219 57.345 0.004 0.000 1.245 58 W CB -1.783 27.801 29.460 0.206 0.000 1.126 58 W HN 0.475 nan 8.180 nan 0.000 0.545 59 W N 3.353 124.206 121.300 -0.745 0.000 3.077 59 W HA 0.073 4.732 4.660 -0.001 0.000 0.245 59 W C 1.499 177.956 176.519 -0.105 0.000 1.316 59 W CA 0.761 57.772 57.345 -0.557 0.000 1.537 59 W CB -1.320 27.495 29.460 -1.075 0.000 1.131 59 W HN 0.193 nan 8.180 nan 0.000 0.695 60 E N 1.811 122.028 120.200 0.028 0.000 2.265 60 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 60 E C 1.785 178.448 176.600 0.105 0.000 0.996 60 E CA 0.818 57.284 56.400 0.110 0.000 0.832 60 E CB -0.547 29.121 29.700 -0.054 0.000 0.756 60 E HN 0.255 nan 8.360 nan 0.000 0.491 61 R N -0.312 120.229 120.500 0.069 0.000 2.339 61 R HA -0.034 4.305 4.340 -0.000 0.000 0.199 61 R C 0.388 176.559 176.300 -0.216 0.000 1.018 61 R CA 0.657 56.719 56.100 -0.063 0.000 1.036 61 R CB -0.062 30.183 30.300 -0.091 0.000 0.899 61 R HN 0.320 nan 8.270 nan 0.000 0.473 62 Y N 0.353 120.791 120.300 0.229 0.000 2.625 62 Y HA 0.188 4.738 4.550 -0.000 0.000 0.285 62 Y C 0.200 176.263 175.900 0.272 0.000 1.168 62 Y CA -0.026 58.237 58.100 0.272 0.000 1.250 62 Y CB 0.568 39.210 38.460 0.303 0.000 1.130 62 Y HN -0.093 nan 8.280 nan 0.000 0.526 63 Q N 1.172 121.104 119.800 0.220 0.000 2.788 63 Q HA 0.271 4.611 4.340 -0.000 0.000 0.261 63 Q C -2.684 173.376 176.000 0.100 0.000 1.029 63 Q CA -2.117 53.798 55.803 0.187 0.000 0.848 63 Q CB 1.121 29.954 28.738 0.159 0.000 1.185 63 Q HN 0.064 nan 8.270 nan 0.000 0.482 64 P HA -0.123 nan 4.420 nan 0.000 0.265 64 P C 0.480 177.742 177.300 -0.065 0.000 1.187 64 P CA 0.339 63.401 63.100 -0.064 0.000 0.766 64 P CB 0.814 32.431 31.700 -0.139 0.000 0.820 65 V N -0.401 119.471 119.914 -0.070 0.000 3.485 65 V HA 0.330 4.450 4.120 -0.000 0.000 0.280 65 V C 0.349 176.412 176.094 -0.052 0.000 1.495 65 V CA 0.799 63.149 62.300 0.082 0.000 1.018 65 V CB -0.083 31.817 31.823 0.129 0.000 0.818 65 V HN 0.670 nan 8.190 nan 0.000 0.436 66 S N -1.336 114.184 115.700 -0.300 0.000 2.694 66 S HA 0.601 5.071 4.470 -0.000 0.000 0.273 66 S C -0.865 173.305 174.600 -0.718 0.000 1.180 66 S CA -0.248 57.660 58.200 -0.486 0.000 0.864 66 S CB 0.913 63.985 63.200 -0.214 0.000 1.198 66 S HN 0.056 nan 8.310 nan 0.000 0.499 67 Y N 0.928 121.051 120.300 -0.294 0.000 2.636 67 Y HA 0.468 5.017 4.550 -0.001 0.000 0.260 67 Y C 0.516 176.269 175.900 -0.245 0.000 1.177 67 Y CA -0.897 56.901 58.100 -0.503 0.000 1.209 67 Y CB 0.017 38.118 38.460 -0.597 0.000 1.166 67 Y HN 0.398 nan 8.280 nan 0.000 0.531 68 K N 0.940 121.306 120.400 -0.057 0.000 2.401 68 K HA 0.132 4.451 4.320 -0.000 0.000 0.278 68 K C -0.539 176.069 176.600 0.013 0.000 1.018 68 K CA -0.391 55.895 56.287 -0.001 0.000 0.981 68 K CB 0.785 33.281 32.500 -0.007 0.000 0.933 68 K HN -0.041 nan 8.250 nan 0.000 0.477 69 L N 3.841 125.087 121.223 0.037 0.000 2.395 69 L HA 0.077 4.417 4.340 -0.000 0.000 0.268 69 L C -0.436 176.493 176.870 0.098 0.000 1.223 69 L CA 0.298 55.155 54.840 0.028 0.000 1.093 69 L CB -0.227 41.802 42.059 -0.050 0.000 1.349 69 L HN 0.609 nan 8.230 nan 0.000 0.427 70 c N 2.282 120.939 118.600 0.094 0.000 3.027 70 c HA 0.704 5.274 4.570 -0.000 0.000 0.350 70 c C 0.191 174.318 174.090 0.061 0.000 1.042 70 c CA 0.007 56.389 56.329 0.088 0.000 1.350 70 c CB -0.020 42.522 42.510 0.052 0.000 1.809 70 c HN 0.877 nan 8.230 nan 0.000 0.513 71 T N 1.730 116.320 114.554 0.060 0.000 2.778 71 T HA 0.506 4.856 4.350 -0.000 0.000 0.293 71 T C 0.904 175.556 174.700 -0.080 0.000 1.144 71 T CA -0.692 61.405 62.100 -0.006 0.000 1.010 71 T CB 1.152 70.026 68.868 0.010 0.000 1.325 71 T HN 0.503 nan 8.240 nan 0.000 0.515 72 R N 0.092 120.522 120.500 -0.117 0.000 2.189 72 R HA 0.051 4.391 4.340 -0.000 0.000 0.223 72 R C 2.337 178.484 176.300 -0.256 0.000 1.092 72 R CA 1.179 57.192 56.100 -0.145 0.000 0.989 72 R CB -0.373 29.854 30.300 -0.122 0.000 0.876 72 R HN 0.558 nan 8.270 nan 0.000 0.457 73 S N -0.621 114.808 115.700 -0.452 0.000 2.461 73 S HA 0.117 4.586 4.470 -0.000 0.000 0.228 73 S C 0.738 174.792 174.600 -0.910 0.000 1.005 73 S CA 0.804 58.488 58.200 -0.860 0.000 0.942 73 S CB 0.561 62.731 63.200 -1.717 0.000 0.776 73 S HN 0.632 nan 8.310 nan 0.000 0.514 74 G N 0.214 108.703 108.800 -0.518 0.000 2.341 74 G HA2 0.189 4.149 3.960 -0.000 0.000 0.293 74 G HA3 0.189 4.149 3.960 -0.000 0.000 0.293 74 G C -1.531 173.498 174.900 0.215 0.000 1.298 74 G CA -1.016 44.034 45.100 -0.084 0.000 0.868 74 G HN 0.270 nan 8.290 nan 0.000 0.540 75 N N -0.951 117.923 118.700 0.290 0.000 2.604 75 N HA 0.397 5.137 4.740 -0.000 0.000 0.297 75 N C 1.104 176.803 175.510 0.314 0.000 1.266 75 N CA -0.318 52.880 53.050 0.248 0.000 0.961 75 N CB 2.013 40.591 38.487 0.151 0.000 1.166 75 N HN 0.701 nan 8.380 nan 0.000 0.601 76 E N 0.570 120.898 120.200 0.212 0.000 2.077 76 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 76 E C 1.327 178.055 176.600 0.214 0.000 0.989 76 E CA 1.508 58.029 56.400 0.201 0.000 0.800 76 E CB 0.009 29.787 29.700 0.131 0.000 0.746 76 E HN 0.584 nan 8.360 nan 0.000 0.452 77 N N 0.935 119.736 118.700 0.169 0.000 2.120 77 N HA -0.238 4.501 4.740 -0.000 0.000 0.188 77 N C 1.397 176.996 175.510 0.148 0.000 1.024 77 N CA 1.788 54.920 53.050 0.137 0.000 0.852 77 N CB -0.628 37.923 38.487 0.107 0.000 1.003 77 N HN 0.349 nan 8.380 nan 0.000 0.424 78 E N -0.567 119.758 120.200 0.210 0.000 2.150 78 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 78 E C 1.576 178.309 176.600 0.222 0.000 0.985 78 E CA 0.705 57.254 56.400 0.247 0.000 0.814 78 E CB -0.301 29.611 29.700 0.353 0.000 0.752 78 E HN 0.350 nan 8.360 nan 0.000 0.466 79 F N 1.776 121.744 119.950 0.030 0.000 2.113 79 F HA -0.095 4.432 4.527 -0.001 0.000 0.297 79 F C 2.199 177.864 175.800 -0.226 0.000 1.103 79 F CA 1.399 59.170 58.000 -0.382 0.000 1.248 79 F CB 0.107 38.838 39.000 -0.448 0.000 0.999 79 F HN -0.226 nan 8.300 nan 0.000 0.475 80 R N -0.080 120.407 120.500 -0.021 0.000 2.092 80 R HA -0.177 4.163 4.340 -0.000 0.000 0.231 80 R C 1.938 178.174 176.300 -0.107 0.000 1.119 80 R CA 1.679 57.744 56.100 -0.058 0.000 0.970 80 R CB -0.733 29.609 30.300 0.070 0.000 0.864 80 R HN 0.346 nan 8.270 nan 0.000 0.440 81 D N 0.579 120.949 120.400 -0.050 0.000 2.117 81 D HA -0.199 4.441 4.640 -0.000 0.000 0.197 81 D C 1.935 178.171 176.300 -0.107 0.000 0.987 81 D CA 1.202 55.179 54.000 -0.037 0.000 0.829 81 D CB 0.052 40.863 40.800 0.019 0.000 0.961 81 D HN 0.095 nan 8.370 nan 0.000 0.460 82 M N -0.210 119.286 119.600 -0.173 0.000 2.086 82 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 82 M C 1.773 177.866 176.300 -0.345 0.000 1.067 82 M CA 1.330 56.498 55.300 -0.221 0.000 1.116 82 M CB -0.058 32.391 32.600 -0.250 0.000 1.348 82 M HN 0.008 nan 8.290 nan 0.000 0.407 83 V N 0.557 120.161 119.914 -0.516 0.000 2.407 83 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 83 V C 2.304 178.100 176.094 -0.496 0.000 1.055 83 V CA 2.247 64.221 62.300 -0.543 0.000 1.049 83 V CB -1.193 30.262 31.823 -0.613 0.000 0.662 83 V HN 0.586 nan 8.190 nan 0.000 0.455 84 T N -0.312 114.044 114.554 -0.329 0.000 2.737 84 T HA -0.180 4.169 4.350 -0.000 0.000 0.265 84 T C 2.094 176.680 174.700 -0.191 0.000 1.038 84 T CA 1.515 63.483 62.100 -0.221 0.000 1.144 84 T CB -0.222 68.670 68.868 0.041 0.000 0.866 84 T HN 0.405 nan 8.240 nan 0.000 0.434 85 R N 0.119 120.535 120.500 -0.139 0.000 2.081 85 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 85 R C 2.802 179.022 176.300 -0.133 0.000 1.131 85 R CA 1.449 57.495 56.100 -0.091 0.000 0.960 85 R CB -0.749 29.517 30.300 -0.056 0.000 0.856 85 R HN 0.384 nan 8.270 nan 0.000 0.436 86 c N 0.530 119.011 118.600 -0.198 0.000 2.446 86 c HA -0.008 4.561 4.570 -0.000 0.000 0.277 86 c C 2.323 176.255 174.090 -0.263 0.000 1.275 86 c CA 0.345 56.555 56.329 -0.198 0.000 1.727 86 c CB -1.003 41.376 42.510 -0.218 0.000 2.010 86 c HN 0.501 nan 8.230 nan 0.000 0.486 87 N N 1.585 120.012 118.700 -0.455 0.000 2.120 87 N HA -0.094 4.645 4.740 -0.000 0.000 0.188 87 N C 1.351 176.625 175.510 -0.394 0.000 1.024 87 N CA 1.153 53.807 53.050 -0.659 0.000 0.852 87 N CB -0.603 36.963 38.487 -1.534 0.000 1.003 87 N HN 0.486 nan 8.380 nan 0.000 0.424 88 N N 0.201 118.781 118.700 -0.200 0.000 2.364 88 N HA -0.085 4.655 4.740 -0.000 0.000 0.183 88 N C 1.284 176.793 175.510 -0.002 0.000 1.022 88 N CA 0.576 53.645 53.050 0.031 0.000 0.883 88 N CB 0.032 38.569 38.487 0.083 0.000 0.965 88 N HN 0.251 nan 8.380 nan 0.000 0.438 89 V N -4.097 115.790 119.914 -0.045 0.000 3.444 89 V HA 0.524 4.644 4.120 -0.000 0.000 0.308 89 V C 1.094 177.173 176.094 -0.026 0.000 1.371 89 V CA 0.115 62.404 62.300 -0.019 0.000 1.141 89 V CB -0.199 31.619 31.823 -0.008 0.000 1.037 89 V HN 0.174 nan 8.190 nan 0.000 0.433 90 G N 0.142 108.906 108.800 -0.061 0.000 2.160 90 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.244 90 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.244 90 G C -0.106 174.764 174.900 -0.051 0.000 1.022 90 G CA 0.118 45.182 45.100 -0.060 0.000 0.741 90 G HN 0.893 nan 8.290 nan 0.000 0.508 91 V N 1.904 121.769 119.914 -0.080 0.000 2.409 91 V HA 0.596 4.715 4.120 -0.000 0.000 0.291 91 V C 0.540 176.560 176.094 -0.123 0.000 1.020 91 V CA -1.277 60.997 62.300 -0.044 0.000 0.848 91 V CB 1.536 33.345 31.823 -0.023 0.000 0.990 91 V HN 0.368 nan 8.190 nan 0.000 0.430 92 R N 4.296 124.739 120.500 -0.096 0.000 2.528 92 R HA 0.585 4.925 4.340 -0.000 0.000 0.271 92 R C -0.810 175.258 176.300 -0.387 0.000 1.056 92 R CA -0.648 55.303 56.100 -0.248 0.000 1.117 92 R CB 1.335 31.479 30.300 -0.260 0.000 1.085 92 R HN 0.424 nan 8.270 nan 0.000 0.530 93 I N 2.399 122.632 120.570 -0.561 0.000 2.433 93 I HA 0.288 4.458 4.170 -0.000 0.000 0.292 93 I C -0.749 174.965 176.117 -0.672 0.000 1.001 93 I CA -0.906 60.112 61.300 -0.470 0.000 1.119 93 I CB 1.212 38.972 38.000 -0.401 0.000 1.289 93 I HN 0.422 nan 8.210 nan 0.000 0.438 94 Y N 4.743 125.026 120.300 -0.029 0.000 2.341 94 Y HA 0.452 5.002 4.550 -0.000 0.000 0.338 94 Y C 0.243 176.126 175.900 -0.029 0.000 0.965 94 Y CA -0.814 57.261 58.100 -0.042 0.000 1.108 94 Y CB 1.923 40.486 38.460 0.172 0.000 1.180 94 Y HN 0.188 nan 8.280 nan 0.000 0.458 95 V N 3.302 123.226 119.914 0.017 0.000 2.481 95 V HA 0.122 4.242 4.120 -0.000 0.000 0.286 95 V C -0.197 176.011 176.094 0.190 0.000 1.042 95 V CA -0.768 61.627 62.300 0.159 0.000 0.928 95 V CB 1.542 33.501 31.823 0.227 0.000 0.986 95 V HN 0.654 nan 8.190 nan 0.000 0.462 96 D N 4.221 124.735 120.400 0.190 0.000 2.359 96 D HA 0.301 4.941 4.640 -0.000 0.000 0.250 96 D C 0.095 176.502 176.300 0.178 0.000 1.264 96 D CA -0.040 54.055 54.000 0.158 0.000 0.911 96 D CB 1.143 42.069 40.800 0.210 0.000 1.056 96 D HN 0.662 nan 8.370 nan 0.000 0.499 97 A N 4.189 127.086 122.820 0.130 0.000 2.279 97 A HA 0.384 4.703 4.320 -0.000 0.000 0.306 97 A C -0.123 177.509 177.584 0.081 0.000 1.300 97 A CA -0.633 51.456 52.037 0.085 0.000 0.925 97 A CB 0.571 19.504 19.000 -0.112 0.000 1.152 97 A HN 0.377 nan 8.150 nan 0.000 0.544 98 V N 5.439 125.417 119.914 0.108 0.000 2.288 98 V HA 0.204 4.324 4.120 -0.000 0.000 0.266 98 V C 0.743 176.812 176.094 -0.042 0.000 1.048 98 V CA 0.261 62.581 62.300 0.034 0.000 0.842 98 V CB -0.151 31.700 31.823 0.046 0.000 1.064 98 V HN 0.872 nan 8.190 nan 0.000 0.472 99 I N 0.840 121.363 120.570 -0.078 0.000 4.240 99 I HA 0.378 4.548 4.170 -0.000 0.000 0.331 99 I C 1.376 177.443 176.117 -0.083 0.000 1.381 99 I CA 0.167 61.434 61.300 -0.054 0.000 1.136 99 I CB 0.201 38.169 38.000 -0.052 0.000 1.137 99 I HN 0.459 nan 8.210 nan 0.000 0.411 100 N N 1.629 120.243 118.700 -0.143 0.000 2.446 100 N HA -0.029 4.711 4.740 -0.000 0.000 0.179 100 N C 0.350 175.886 175.510 0.043 0.000 1.054 100 N CA 0.661 53.704 53.050 -0.012 0.000 0.905 100 N CB 0.196 38.764 38.487 0.136 0.000 0.973 100 N HN 0.692 nan 8.380 nan 0.000 0.448 101 H N -3.638 115.461 119.070 0.048 0.000 2.967 101 H HA 0.252 4.808 4.556 -0.000 0.000 0.318 101 H C -0.662 174.676 175.328 0.017 0.000 1.375 101 H CA -0.929 55.147 56.048 0.046 0.000 1.132 101 H CB 0.453 30.240 29.762 0.042 0.000 1.848 101 H HN -0.196 nan 8.280 nan 0.000 0.524 102 M N 0.856 120.558 119.600 0.170 0.000 2.341 102 M HA 0.309 4.789 4.480 -0.000 0.000 0.221 102 M C 1.080 177.449 176.300 0.114 0.000 0.772 102 M CA -0.325 54.953 55.300 -0.038 0.000 1.742 102 M CB 0.094 32.401 32.600 -0.489 0.000 1.160 102 M HN 0.874 nan 8.290 nan 0.000 0.870 103 C N -0.085 119.275 119.300 0.100 0.000 2.480 103 C HA 0.778 5.238 4.460 -0.000 0.000 0.344 103 C C 0.987 176.024 174.990 0.077 0.000 1.380 103 C CA -1.024 58.075 59.018 0.135 0.000 2.386 103 C CB -0.666 27.172 27.740 0.164 0.000 2.210 103 C HN 0.826 nan 8.230 nan 0.000 0.640 104 G N 0.851 109.671 108.800 0.033 0.000 2.380 104 G HA2 0.372 4.332 3.960 -0.000 0.000 0.242 104 G HA3 0.372 4.332 3.960 -0.000 0.000 0.242 104 G C 0.882 175.773 174.900 -0.014 0.000 1.298 104 G CA 0.371 45.459 45.100 -0.019 0.000 0.878 104 G HN 1.368 nan 8.290 nan 0.000 0.542 105 S N 1.324 116.998 115.700 -0.043 0.000 2.474 105 S HA -0.033 4.437 4.470 -0.000 0.000 0.235 105 S C 1.929 176.495 174.600 -0.056 0.000 0.997 105 S CA 0.770 58.935 58.200 -0.058 0.000 0.949 105 S CB 0.263 63.420 63.200 -0.071 0.000 0.766 105 S HN 0.829 nan 8.310 nan 0.000 0.517 106 G N 0.492 109.263 108.800 -0.048 0.000 3.233 106 G HA2 0.565 4.525 3.960 -0.000 0.000 0.234 106 G HA3 0.565 4.525 3.960 -0.000 0.000 0.234 106 G C 0.353 175.227 174.900 -0.042 0.000 1.137 106 G CA 0.057 45.130 45.100 -0.045 0.000 0.763 106 G HN 0.716 nan 8.290 nan 0.000 0.549 107 A N 0.342 123.139 122.820 -0.039 0.000 2.425 107 A HA 0.689 5.009 4.320 -0.000 0.000 0.242 107 A C 0.830 178.375 177.584 -0.067 0.000 1.077 107 A CA 0.348 52.362 52.037 -0.038 0.000 0.781 107 A CB 0.356 19.345 19.000 -0.020 0.000 1.020 107 A HN 0.900 nan 8.150 nan 0.000 0.494 108 A N 0.904 123.683 122.820 -0.068 0.000 2.340 108 A HA 0.596 4.916 4.320 -0.000 0.000 0.268 108 A C 0.810 178.316 177.584 -0.129 0.000 1.100 108 A CA 0.137 52.125 52.037 -0.081 0.000 0.803 108 A CB -0.132 18.832 19.000 -0.060 0.000 1.043 108 A HN 2.169 nan 8.150 nan 0.000 0.488 109 A N 1.058 123.795 122.820 -0.137 0.000 2.445 109 A HA 0.621 4.941 4.320 -0.000 0.000 0.242 109 A C 0.957 178.414 177.584 -0.212 0.000 1.075 109 A CA 0.806 52.710 52.037 -0.221 0.000 0.777 109 A CB -0.234 18.698 19.000 -0.114 0.000 1.013 109 A HN 2.718 nan 8.150 nan 0.000 0.493 110 G N -0.427 108.127 108.800 -0.410 0.000 2.339 110 G HA2 0.397 4.356 3.960 -0.000 0.000 0.275 110 G HA3 0.397 4.356 3.960 -0.000 0.000 0.275 110 G C -0.021 174.765 174.900 -0.189 0.000 1.323 110 G CA 0.370 45.376 45.100 -0.156 0.000 0.927 110 G HN 1.696 nan 8.290 nan 0.000 0.486 111 T N -2.003 112.544 114.554 -0.011 0.000 3.269 111 T HA 0.524 4.874 4.350 -0.000 0.000 0.269 111 T C 1.005 175.692 174.700 -0.022 0.000 0.993 111 T CA 0.926 63.024 62.100 -0.003 0.000 0.909 111 T CB 0.568 69.478 68.868 0.070 0.000 1.115 111 T HN 1.674 nan 8.240 nan 0.000 0.543 112 G N 2.346 111.118 108.800 -0.047 0.000 3.209 112 G HA2 0.470 4.430 3.960 -0.000 0.000 0.274 112 G HA3 0.470 4.430 3.960 -0.000 0.000 0.274 112 G C 0.097 174.973 174.900 -0.040 0.000 0.850 112 G CA -0.395 44.682 45.100 -0.038 0.000 1.907 112 G HN 0.660 nan 8.290 nan 0.000 0.591 113 T N -2.716 111.820 114.554 -0.030 0.000 2.883 113 T HA 0.476 4.826 4.350 -0.000 0.000 0.296 113 T C 1.311 176.001 174.700 -0.018 0.000 1.117 113 T CA 0.066 62.151 62.100 -0.024 0.000 1.006 113 T CB 1.600 70.452 68.868 -0.026 0.000 1.191 113 T HN 0.173 nan 8.240 nan 0.000 0.508 114 T N -2.582 111.962 114.554 -0.017 0.000 3.072 114 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 114 T C 1.341 176.038 174.700 -0.006 0.000 1.127 114 T CA 0.543 62.634 62.100 -0.016 0.000 1.107 114 T CB -0.577 68.280 68.868 -0.019 0.000 0.910 114 T HN 0.663 nan 8.240 nan 0.000 0.513 115 c N 0.517 119.116 118.600 -0.002 0.000 3.642 115 c HA 0.672 5.241 4.570 -0.000 0.000 0.305 115 c C 2.005 176.101 174.090 0.010 0.000 1.492 115 c CA -0.058 56.275 56.329 0.007 0.000 1.809 115 c CB -0.812 41.704 42.510 0.010 0.000 2.639 115 c HN 0.873 nan 8.230 nan 0.000 0.672 116 G N 1.577 110.381 108.800 0.006 0.000 2.159 116 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.256 116 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.256 116 G C 0.182 175.099 174.900 0.028 0.000 0.977 116 G CA 0.561 45.670 45.100 0.015 0.000 0.652 116 G HN 0.574 nan 8.290 nan 0.000 0.531 117 S N -0.439 115.273 115.700 0.021 0.000 2.573 117 S HA 0.426 4.896 4.470 -0.000 0.000 0.277 117 S C 0.050 174.678 174.600 0.046 0.000 1.346 117 S CA -0.259 57.965 58.200 0.039 0.000 1.034 117 S CB 0.918 64.130 63.200 0.019 0.000 0.879 117 S HN 0.568 nan 8.310 nan 0.000 0.528 118 Y N 1.936 122.217 120.300 -0.032 0.000 2.304 118 Y HA 0.468 5.017 4.550 -0.000 0.000 0.327 118 Y C 0.225 176.071 175.900 -0.090 0.000 1.209 118 Y CA -0.815 57.253 58.100 -0.054 0.000 1.299 118 Y CB 0.421 38.850 38.460 -0.051 0.000 1.249 118 Y HN 0.890 nan 8.280 nan 0.000 0.519 119 C N 4.413 123.111 119.300 -1.002 0.000 3.239 119 C HA 0.565 5.024 4.460 -0.000 0.000 0.317 119 C C -1.360 173.022 174.990 -1.014 0.000 1.310 119 C CA -1.121 57.389 59.018 -0.847 0.000 1.371 119 C CB 1.559 28.909 27.740 -0.650 0.000 1.714 119 C HN 0.898 nan 8.230 nan 0.000 0.473 120 N N 1.589 119.857 118.700 -0.719 0.000 2.682 120 N HA 0.443 5.183 4.740 -0.000 0.000 0.252 120 N C -2.184 173.055 175.510 -0.451 0.000 1.081 120 N CA -1.788 50.996 53.050 -0.443 0.000 0.844 120 N CB 1.729 40.128 38.487 -0.147 0.000 1.167 120 N HN 0.469 nan 8.380 nan 0.000 0.523 121 P HA 0.027 nan 4.420 nan 0.000 0.218 121 P C 1.272 178.462 177.300 -0.182 0.000 1.149 121 P CA 0.897 63.825 63.100 -0.287 0.000 0.817 121 P CB 0.246 31.867 31.700 -0.131 0.000 0.785 122 G N -0.728 107.987 108.800 -0.143 0.000 2.422 122 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 122 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 122 G C 1.376 176.231 174.900 -0.075 0.000 1.146 122 G CA 0.677 45.721 45.100 -0.092 0.000 0.769 122 G HN 0.232 nan 8.290 nan 0.000 0.547 123 S N -0.202 115.452 115.700 -0.077 0.000 2.577 123 S HA 0.245 4.715 4.470 -0.000 0.000 0.219 123 S C 0.702 175.290 174.600 -0.021 0.000 0.962 123 S CA -0.424 57.760 58.200 -0.027 0.000 0.921 123 S CB 0.289 63.492 63.200 0.005 0.000 0.789 123 S HN 0.332 nan 8.310 nan 0.000 0.497 124 R N 1.793 122.231 120.500 -0.103 0.000 3.336 124 R HA -0.147 4.193 4.340 -0.000 0.000 0.260 124 R C -1.048 175.309 176.300 0.095 0.000 1.032 124 R CA 0.499 56.545 56.100 -0.090 0.000 0.693 124 R CB -2.455 27.779 30.300 -0.110 0.000 1.134 124 R HN 0.512 nan 8.270 nan 0.000 0.433 125 E N 0.060 120.180 120.200 -0.134 0.000 2.113 125 E HA 0.347 4.697 4.350 -0.000 0.000 0.273 125 E C -0.618 175.779 176.600 -0.338 0.000 0.924 125 E CA -0.454 55.912 56.400 -0.057 0.000 0.764 125 E CB 0.691 30.382 29.700 -0.016 0.000 1.104 125 E HN 0.090 nan 8.360 nan 0.000 0.406 126 F N 4.272 124.302 119.950 0.133 0.000 2.531 126 F HA 0.242 4.768 4.527 -0.001 0.000 0.333 126 F C -1.534 174.293 175.800 0.046 0.000 1.292 126 F CA -1.936 56.116 58.000 0.087 0.000 1.184 126 F CB 1.250 40.349 39.000 0.165 0.000 1.426 126 F HN 0.387 nan 8.300 nan 0.000 0.559 127 P HA -0.186 nan 4.420 nan 0.000 0.223 127 P C 1.286 178.624 177.300 0.063 0.000 1.144 127 P CA 1.153 64.314 63.100 0.102 0.000 0.783 127 P CB 0.328 32.097 31.700 0.116 0.000 0.771 128 A N -0.574 122.279 122.820 0.055 0.000 2.167 128 A HA 0.049 4.369 4.320 -0.000 0.000 0.214 128 A C 2.241 179.789 177.584 -0.061 0.000 1.151 128 A CA 0.743 52.782 52.037 0.004 0.000 0.735 128 A CB -1.030 17.971 19.000 0.001 0.000 0.802 128 A HN 0.070 nan 8.150 nan 0.000 0.467 129 V N 0.718 120.561 119.914 -0.118 0.000 2.300 129 V HA 0.024 4.144 4.120 -0.000 0.000 0.241 129 V C -1.317 174.662 176.094 -0.191 0.000 1.034 129 V CA 1.242 63.381 62.300 -0.267 0.000 1.021 129 V CB -0.992 30.435 31.823 -0.661 0.000 0.662 129 V HN 0.511 nan 8.190 nan 0.000 0.458 130 P HA 0.365 nan 4.420 nan 0.000 0.296 130 P C -1.897 175.388 177.300 -0.025 0.000 1.301 130 P CA -0.155 62.913 63.100 -0.053 0.000 0.862 130 P CB 1.380 33.101 31.700 0.036 0.000 1.046 131 Y N -0.254 120.133 120.300 0.145 0.000 2.487 131 Y HA 0.539 5.088 4.550 -0.000 0.000 0.337 131 Y C 0.888 176.840 175.900 0.087 0.000 1.076 131 Y CA -0.583 57.568 58.100 0.086 0.000 1.115 131 Y CB 2.251 40.776 38.460 0.108 0.000 1.235 131 Y HN 0.324 nan 8.280 nan 0.000 0.468 132 S N -0.345 115.381 115.700 0.043 0.000 2.704 132 S HA 0.603 5.073 4.470 -0.000 0.000 0.296 132 S C 0.720 175.375 174.600 0.092 0.000 1.138 132 S CA -0.227 57.894 58.200 -0.132 0.000 0.875 132 S CB 1.632 64.287 63.200 -0.908 0.000 1.151 132 S HN 0.782 nan 8.310 nan 0.000 0.500 133 A N 0.285 123.251 122.820 0.244 0.000 2.084 133 A HA -0.116 4.204 4.320 -0.000 0.000 0.221 133 A C 1.407 179.277 177.584 0.476 0.000 1.161 133 A CA 1.663 53.948 52.037 0.413 0.000 0.653 133 A CB -0.842 18.378 19.000 0.366 0.000 0.802 133 A HN 0.917 nan 8.150 nan 0.000 0.457 134 W N -1.329 120.049 121.300 0.129 0.000 3.345 134 W HA 0.323 4.983 4.660 -0.000 0.000 0.282 134 W C -0.151 176.358 176.519 -0.016 0.000 1.302 134 W CA 0.031 57.409 57.345 0.054 0.000 1.724 134 W CB 0.056 29.516 29.460 0.001 0.000 1.104 134 W HN 0.118 nan 8.180 nan 0.000 0.694 135 D N 0.526 120.827 120.400 -0.166 0.000 2.342 135 D HA 0.107 4.747 4.640 -0.000 0.000 0.221 135 D C -0.524 175.344 176.300 -0.722 0.000 1.101 135 D CA 0.287 54.003 54.000 -0.474 0.000 0.837 135 D CB -0.130 40.255 40.800 -0.691 0.000 0.938 135 D HN 0.121 nan 8.370 nan 0.000 0.508 136 F N 0.015 119.941 119.950 -0.041 0.000 2.618 136 F HA 0.323 4.850 4.527 -0.000 0.000 0.332 136 F C 1.173 176.989 175.800 0.026 0.000 1.061 136 F CA -1.079 56.903 58.000 -0.030 0.000 0.974 136 F CB 0.937 39.934 39.000 -0.006 0.000 1.310 136 F HN -0.388 nan 8.300 nan 0.000 0.491 137 N N 0.806 119.643 118.700 0.228 0.000 2.327 137 N HA 0.036 4.775 4.740 -0.000 0.000 0.231 137 N C 0.570 176.165 175.510 0.143 0.000 1.130 137 N CA 0.233 53.378 53.050 0.158 0.000 0.845 137 N CB -0.214 38.360 38.487 0.145 0.000 1.073 137 N HN 0.542 nan 8.380 nan 0.000 0.496 138 D N -0.085 120.405 120.400 0.150 0.000 2.117 138 D HA -0.112 4.527 4.640 -0.000 0.000 0.197 138 D C 1.723 178.074 176.300 0.084 0.000 0.987 138 D CA 1.089 55.150 54.000 0.103 0.000 0.829 138 D CB 0.119 40.976 40.800 0.094 0.000 0.961 138 D HN 0.352 nan 8.370 nan 0.000 0.460 139 G N 0.764 109.618 108.800 0.091 0.000 2.511 139 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 139 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 139 G C 1.591 176.531 174.900 0.067 0.000 1.133 139 G CA 0.247 45.388 45.100 0.069 0.000 0.792 139 G HN 0.206 nan 8.290 nan 0.000 0.539 140 K N -0.472 119.980 120.400 0.086 0.000 2.243 140 K HA 0.059 4.379 4.320 -0.000 0.000 0.201 140 K C 0.754 177.417 176.600 0.104 0.000 1.051 140 K CA -0.073 56.272 56.287 0.096 0.000 0.970 140 K CB -0.126 32.446 32.500 0.120 0.000 0.755 140 K HN 0.209 nan 8.250 nan 0.000 0.465 141 c N 2.256 120.913 118.600 0.095 0.000 2.576 141 c HA 0.229 4.798 4.570 -0.000 0.000 0.401 141 c C 0.648 174.771 174.090 0.056 0.000 1.314 141 c CA -0.397 55.982 56.329 0.083 0.000 1.855 141 c CB -0.209 42.342 42.510 0.069 0.000 2.537 141 c HN 0.428 nan 8.230 nan 0.000 0.578 142 K N 2.902 123.332 120.400 0.050 0.000 2.387 142 K HA 0.103 4.423 4.320 -0.000 0.000 0.198 142 K C 0.957 177.569 176.600 0.020 0.000 1.022 142 K CA 0.091 56.394 56.287 0.027 0.000 1.128 142 K CB 0.235 32.743 32.500 0.014 0.000 0.853 142 K HN 0.887 nan 8.250 nan 0.000 0.523 143 T N -2.812 111.754 114.554 0.020 0.000 2.899 143 T HA 0.411 4.761 4.350 -0.000 0.000 0.284 143 T C 1.408 176.113 174.700 0.007 0.000 1.004 143 T CA -0.467 61.639 62.100 0.010 0.000 1.043 143 T CB 1.822 70.693 68.868 0.005 0.000 1.013 143 T HN 0.012 nan 8.240 nan 0.000 0.518 144 A N 1.454 124.276 122.820 0.003 0.000 1.933 144 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 144 A C 2.552 180.135 177.584 -0.001 0.000 1.175 144 A CA 1.839 53.877 52.037 0.001 0.000 0.628 144 A CB -1.255 17.745 19.000 -0.000 0.000 0.814 144 A HN 1.133 nan 8.150 nan 0.000 0.444 145 S N -2.388 113.310 115.700 -0.004 0.000 2.478 145 S HA 0.355 4.825 4.470 -0.000 0.000 0.222 145 S C 1.583 176.177 174.600 -0.010 0.000 1.008 145 S CA 1.191 59.385 58.200 -0.009 0.000 0.928 145 S CB -0.167 63.025 63.200 -0.013 0.000 0.781 145 S HN 1.909 nan 8.310 nan 0.000 0.518 146 G N 0.313 109.111 108.800 -0.004 0.000 2.176 146 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.253 146 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.253 146 G C 0.374 175.269 174.900 -0.010 0.000 0.979 146 G CA 0.019 45.119 45.100 -0.000 0.000 0.641 146 G HN 1.129 nan 8.290 nan 0.000 0.530 147 G N -0.896 107.891 108.800 -0.021 0.000 2.667 147 G HA2 0.669 4.629 3.960 -0.000 0.000 0.310 147 G HA3 0.669 4.629 3.960 -0.000 0.000 0.310 147 G C -0.153 174.721 174.900 -0.044 0.000 1.259 147 G CA -1.053 44.025 45.100 -0.037 0.000 1.019 147 G HN 0.589 nan 8.290 nan 0.000 0.496 148 I N 0.688 121.216 120.570 -0.071 0.000 2.363 148 I HA 0.149 4.318 4.170 -0.000 0.000 0.292 148 I C 0.848 176.919 176.117 -0.077 0.000 1.075 148 I CA 0.169 61.396 61.300 -0.121 0.000 1.333 148 I CB 1.315 39.176 38.000 -0.232 0.000 1.415 148 I HN 0.669 nan 8.210 nan 0.000 0.502 149 E N 2.842 123.008 120.200 -0.057 0.000 2.340 149 E HA 0.076 4.426 4.350 -0.000 0.000 0.198 149 E C 0.319 176.923 176.600 0.007 0.000 0.961 149 E CA 0.172 56.564 56.400 -0.012 0.000 0.905 149 E CB 0.705 30.402 29.700 -0.005 0.000 0.884 149 E HN 0.520 nan 8.360 nan 0.000 0.491 150 S N -0.810 114.873 115.700 -0.027 0.000 2.572 150 S HA 0.245 4.714 4.470 -0.000 0.000 0.274 150 S C -0.924 173.656 174.600 -0.034 0.000 1.150 150 S CA -0.635 57.581 58.200 0.027 0.000 0.944 150 S CB 0.554 63.772 63.200 0.030 0.000 1.071 150 S HN 0.114 nan 8.310 nan 0.000 0.479 151 Y N 3.150 123.453 120.300 0.005 0.000 2.462 151 Y HA 0.318 4.868 4.550 -0.000 0.000 0.293 151 Y C 1.631 177.524 175.900 -0.012 0.000 1.195 151 Y CA 0.005 58.099 58.100 -0.009 0.000 1.276 151 Y CB 0.169 38.620 38.460 -0.015 0.000 1.082 151 Y HN 0.582 nan 8.280 nan 0.000 0.514 152 N N 0.169 118.923 118.700 0.090 0.000 2.235 152 N HA -0.019 4.721 4.740 -0.000 0.000 0.209 152 N C -0.738 174.800 175.510 0.047 0.000 1.122 152 N CA 0.389 53.478 53.050 0.064 0.000 0.845 152 N CB 0.371 38.894 38.487 0.060 0.000 1.004 152 N HN 0.231 nan 8.380 nan 0.000 0.499 153 D N -0.223 120.192 120.400 0.026 0.000 2.542 153 D HA 0.300 4.940 4.640 -0.000 0.000 0.252 153 D C -2.062 174.238 176.300 -0.000 0.000 1.222 153 D CA -1.991 52.044 54.000 0.057 0.000 0.895 153 D CB 2.187 43.031 40.800 0.074 0.000 1.207 153 D HN -0.154 nan 8.370 nan 0.000 0.558 154 P HA -0.132 nan 4.420 nan 0.000 0.216 154 P C 0.859 177.962 177.300 -0.329 0.000 1.150 154 P CA 1.134 64.090 63.100 -0.241 0.000 0.837 154 P CB 0.085 31.625 31.700 -0.265 0.000 0.786 155 Y N 0.571 120.897 120.300 0.043 0.000 2.163 155 Y HA -0.216 4.334 4.550 -0.000 0.000 0.288 155 Y C 2.766 178.692 175.900 0.043 0.000 1.136 155 Y CA 1.585 59.781 58.100 0.160 0.000 1.147 155 Y CB -1.362 37.217 38.460 0.197 0.000 0.987 155 Y HN 0.110 nan 8.280 nan 0.000 0.509 156 Q N 0.182 120.062 119.800 0.133 0.000 2.230 156 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 156 Q C 2.128 178.083 176.000 -0.075 0.000 0.963 156 Q CA 1.663 57.485 55.803 0.033 0.000 0.866 156 Q CB -0.742 27.996 28.738 -0.000 0.000 0.931 156 Q HN 0.450 nan 8.270 nan 0.000 0.452 157 V N -0.375 119.430 119.914 -0.182 0.000 2.871 157 V HA -0.014 4.106 4.120 -0.000 0.000 0.256 157 V C 1.805 177.818 176.094 -0.135 0.000 1.082 157 V CA 1.112 63.272 62.300 -0.232 0.000 1.105 157 V CB -0.242 31.309 31.823 -0.454 0.000 0.713 157 V HN 0.215 nan 8.190 nan 0.000 0.473 158 R N -0.119 120.229 120.500 -0.254 0.000 2.189 158 R HA 0.146 4.485 4.340 -0.000 0.000 0.203 158 R C 1.528 177.813 176.300 -0.025 0.000 1.012 158 R CA 1.199 57.124 56.100 -0.291 0.000 1.015 158 R CB 0.018 29.758 30.300 -0.932 0.000 0.938 158 R HN 0.498 nan 8.270 nan 0.000 0.472 159 D N -1.062 119.383 120.400 0.074 0.000 2.417 159 D HA 0.089 4.729 4.640 -0.000 0.000 0.207 159 D C 0.209 176.575 176.300 0.111 0.000 1.075 159 D CA 0.244 54.342 54.000 0.163 0.000 0.851 159 D CB 0.364 41.316 40.800 0.253 0.000 0.976 159 D HN 0.086 nan 8.370 nan 0.000 0.505 160 c N 0.809 119.447 118.600 0.064 0.000 2.354 160 c HA 0.405 4.974 4.570 -0.000 0.000 0.381 160 c C 0.431 174.529 174.090 0.015 0.000 1.240 160 c CA -0.843 55.508 56.329 0.037 0.000 2.089 160 c CB 1.136 43.651 42.510 0.008 0.000 2.234 160 c HN 0.128 nan 8.230 nan 0.000 0.544 161 Q N 1.184 120.979 119.800 -0.009 0.000 2.295 161 Q HA 0.314 4.654 4.340 -0.000 0.000 0.259 161 Q C -0.516 175.425 176.000 -0.099 0.000 0.976 161 Q CA 0.002 55.779 55.803 -0.043 0.000 0.923 161 Q CB 0.695 29.406 28.738 -0.045 0.000 1.185 161 Q HN 0.540 nan 8.270 nan 0.000 0.410 162 L N 4.621 125.744 121.223 -0.167 0.000 2.410 162 L HA 0.006 4.345 4.340 -0.000 0.000 0.273 162 L C 0.631 177.366 176.870 -0.224 0.000 1.144 162 L CA -0.006 54.676 54.840 -0.262 0.000 0.863 162 L CB 0.538 42.316 42.059 -0.469 0.000 1.140 162 L HN 0.806 nan 8.230 nan 0.000 0.463 163 V N 2.680 122.492 119.914 -0.170 0.000 4.773 163 V HA -0.284 3.836 4.120 -0.000 0.000 0.227 163 V C 1.037 177.031 176.094 -0.167 0.000 0.653 163 V CA 0.994 63.195 62.300 -0.165 0.000 0.744 163 V CB -2.650 29.052 31.823 -0.202 0.000 0.646 163 V HN 1.495 nan 8.190 nan 0.000 0.869 164 G N -0.661 108.059 108.800 -0.133 0.000 2.160 164 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.251 164 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.251 164 G C -0.086 174.746 174.900 -0.114 0.000 1.008 164 G CA 0.262 45.297 45.100 -0.108 0.000 0.724 164 G HN 1.222 nan 8.290 nan 0.000 0.514 165 L N 0.315 121.445 121.223 -0.155 0.000 2.326 165 L HA 0.454 4.794 4.340 -0.000 0.000 0.278 165 L C 1.333 178.173 176.870 -0.050 0.000 1.092 165 L CA -0.970 53.780 54.840 -0.150 0.000 0.810 165 L CB 1.081 42.903 42.059 -0.395 0.000 1.153 165 L HN 0.059 nan 8.230 nan 0.000 0.439 166 L N 2.933 124.151 121.223 -0.008 0.000 2.615 166 L HA -0.031 4.309 4.340 -0.000 0.000 0.271 166 L C -0.011 176.989 176.870 0.216 0.000 1.183 166 L CA 0.229 55.064 54.840 -0.009 0.000 0.933 166 L CB -0.013 41.891 42.059 -0.259 0.000 1.199 166 L HN 0.570 nan 8.230 nan 0.000 0.487 167 D N 3.331 123.875 120.400 0.240 0.000 2.280 167 D HA 0.282 4.922 4.640 -0.000 0.000 0.243 167 D C -0.421 176.034 176.300 0.257 0.000 1.129 167 D CA -0.525 53.613 54.000 0.230 0.000 0.848 167 D CB 0.925 41.813 40.800 0.146 0.000 1.107 167 D HN 0.110 nan 8.370 nan 0.000 0.471 168 L N 3.043 124.317 121.223 0.085 0.000 2.416 168 L HA 0.352 4.692 4.340 -0.000 0.000 0.272 168 L C 0.258 177.051 176.870 -0.129 0.000 1.161 168 L CA -0.262 54.449 54.840 -0.216 0.000 0.845 168 L CB 0.643 42.536 42.059 -0.276 0.000 1.119 168 L HN 0.556 nan 8.230 nan 0.000 0.464 169 A N 5.691 128.387 122.820 -0.205 0.000 2.922 169 A HA 0.270 4.590 4.320 -0.000 0.000 0.298 169 A C 1.025 178.582 177.584 -0.046 0.000 1.588 169 A CA -0.256 51.743 52.037 -0.064 0.000 1.288 169 A CB -0.776 18.193 19.000 -0.053 0.000 1.130 169 A HN 0.807 nan 8.150 nan 0.000 0.557 170 L N 0.893 122.118 121.223 0.002 0.000 2.622 170 L HA -0.070 4.270 4.340 -0.000 0.000 0.233 170 L C 2.415 179.308 176.870 0.038 0.000 1.156 170 L CA 0.849 55.700 54.840 0.019 0.000 0.866 170 L CB 0.044 42.132 42.059 0.049 0.000 0.980 170 L HN 0.820 nan 8.230 nan 0.000 0.448 171 E N 0.193 120.416 120.200 0.039 0.000 2.385 171 E HA -0.079 4.271 4.350 -0.000 0.000 0.194 171 E C 0.262 176.875 176.600 0.021 0.000 1.013 171 E CA 0.215 56.626 56.400 0.019 0.000 0.866 171 E CB 0.015 29.713 29.700 -0.004 0.000 0.832 171 E HN 0.330 nan 8.360 nan 0.000 0.500 172 K N 1.387 121.806 120.400 0.032 0.000 2.218 172 K HA 0.057 4.377 4.320 -0.000 0.000 0.276 172 K C 0.262 176.903 176.600 0.069 0.000 1.022 172 K CA 0.152 56.473 56.287 0.056 0.000 0.946 172 K CB 1.093 33.637 32.500 0.074 0.000 1.000 172 K HN -0.133 nan 8.250 nan 0.000 0.468 173 D N 1.378 121.824 120.400 0.077 0.000 2.178 173 D HA -0.213 4.427 4.640 -0.000 0.000 0.201 173 D C 1.414 177.763 176.300 0.082 0.000 0.980 173 D CA 1.240 55.277 54.000 0.062 0.000 0.842 173 D CB 0.064 40.897 40.800 0.056 0.000 0.948 173 D HN 0.618 nan 8.370 nan 0.000 0.472 174 Y N 0.197 120.505 120.300 0.015 0.000 2.128 174 Y HA -0.214 4.335 4.550 -0.001 0.000 0.284 174 Y C 2.091 178.014 175.900 0.038 0.000 1.154 174 Y CA 1.536 59.650 58.100 0.024 0.000 1.149 174 Y CB -0.419 38.058 38.460 0.029 0.000 0.976 174 Y HN -0.085 nan 8.280 nan 0.000 0.505 175 V N 0.288 120.335 119.914 0.222 0.000 2.307 175 V HA -0.278 3.841 4.120 -0.000 0.000 0.245 175 V C 2.378 178.491 176.094 0.032 0.000 1.045 175 V CA 2.159 64.547 62.300 0.147 0.000 1.024 175 V CB -0.618 31.208 31.823 0.005 0.000 0.651 175 V HN 0.285 nan 8.190 nan 0.000 0.449 176 R N 0.149 120.652 120.500 0.005 0.000 2.113 176 R HA -0.184 4.156 4.340 -0.000 0.000 0.244 176 R C 2.548 178.803 176.300 -0.075 0.000 1.142 176 R CA 2.067 58.148 56.100 -0.033 0.000 0.953 176 R CB -0.515 29.775 30.300 -0.017 0.000 0.860 176 R HN 0.463 nan 8.270 nan 0.000 0.438 177 S N -0.105 115.542 115.700 -0.088 0.000 2.387 177 S HA -0.096 4.374 4.470 -0.000 0.000 0.226 177 S C 1.710 176.208 174.600 -0.171 0.000 1.026 177 S CA 0.944 59.068 58.200 -0.127 0.000 0.972 177 S CB -0.097 63.023 63.200 -0.132 0.000 0.814 177 S HN 0.149 nan 8.310 nan 0.000 0.477 178 M N 1.522 121.006 119.600 -0.194 0.000 2.117 178 M HA 0.068 4.548 4.480 -0.000 0.000 0.262 178 M C 1.657 177.828 176.300 -0.214 0.000 1.065 178 M CA 1.437 56.619 55.300 -0.196 0.000 1.114 178 M CB -0.491 32.027 32.600 -0.136 0.000 1.361 178 M HN 0.257 nan 8.290 nan 0.000 0.408 179 I N -0.950 119.510 120.570 -0.183 0.000 2.286 179 I HA -0.198 3.971 4.170 -0.000 0.000 0.245 179 I C 2.305 178.259 176.117 -0.272 0.000 1.104 179 I CA 0.959 62.094 61.300 -0.274 0.000 1.397 179 I CB -0.612 37.290 38.000 -0.163 0.000 1.072 179 I HN 0.295 nan 8.210 nan 0.000 0.417 180 A N 0.537 123.224 122.820 -0.223 0.000 1.940 180 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 180 A C 1.910 179.338 177.584 -0.261 0.000 1.176 180 A CA 2.109 54.001 52.037 -0.241 0.000 0.631 180 A CB -0.575 18.315 19.000 -0.184 0.000 0.814 180 A HN 0.336 nan 8.150 nan 0.000 0.446 181 D N -1.813 118.458 120.400 -0.215 0.000 2.178 181 D HA -0.134 4.506 4.640 -0.000 0.000 0.202 181 D C 1.641 177.842 176.300 -0.164 0.000 0.974 181 D CA 1.454 55.345 54.000 -0.182 0.000 0.841 181 D CB -0.403 40.317 40.800 -0.133 0.000 0.953 181 D HN 0.625 nan 8.370 nan 0.000 0.478 182 Y N 1.553 121.651 120.300 -0.337 0.000 2.163 182 Y HA -0.106 4.444 4.550 -0.001 0.000 0.288 182 Y C 2.016 177.754 175.900 -0.269 0.000 1.136 182 Y CA 1.230 59.127 58.100 -0.339 0.000 1.147 182 Y CB -0.590 37.474 38.460 -0.660 0.000 0.987 182 Y HN -0.093 nan 8.280 nan 0.000 0.509 183 L N 0.234 121.064 121.223 -0.656 0.000 2.093 183 L HA -0.214 4.125 4.340 -0.000 0.000 0.208 183 L C 2.129 178.808 176.870 -0.318 0.000 1.085 183 L CA 1.335 55.753 54.840 -0.702 0.000 0.755 183 L CB -0.684 40.883 42.059 -0.820 0.000 0.904 183 L HN 0.259 nan 8.230 nan 0.000 0.435 184 N N 0.400 118.918 118.700 -0.303 0.000 2.270 184 N HA -0.172 4.567 4.740 -0.000 0.000 0.181 184 N C 1.778 177.220 175.510 -0.114 0.000 1.016 184 N CA 0.960 53.838 53.050 -0.287 0.000 0.870 184 N CB -0.067 38.041 38.487 -0.632 0.000 0.979 184 N HN 0.327 nan 8.380 nan 0.000 0.431 185 K N 0.545 120.881 120.400 -0.107 0.000 2.097 185 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 185 K C 1.607 178.212 176.600 0.007 0.000 1.049 185 K CA 0.810 57.086 56.287 -0.018 0.000 0.933 185 K CB 0.038 32.534 32.500 -0.006 0.000 0.717 185 K HN -0.061 nan 8.250 nan 0.000 0.442 186 L N 1.418 122.609 121.223 -0.053 0.000 2.056 186 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 186 L C 2.173 179.088 176.870 0.074 0.000 1.078 186 L CA 1.438 56.297 54.840 0.031 0.000 0.749 186 L CB -0.588 41.473 42.059 0.003 0.000 0.901 186 L HN 0.240 nan 8.230 nan 0.000 0.433 187 I N -0.502 120.116 120.570 0.079 0.000 2.226 187 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 187 I C 1.998 178.176 176.117 0.102 0.000 1.100 187 I CA 1.157 62.490 61.300 0.055 0.000 1.374 187 I CB -0.286 37.762 38.000 0.080 0.000 1.057 187 I HN 0.254 nan 8.210 nan 0.000 0.413 188 D N 0.899 121.379 120.400 0.134 0.000 2.117 188 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 188 D C 2.211 178.610 176.300 0.165 0.000 0.982 188 D CA 1.246 55.338 54.000 0.153 0.000 0.828 188 D CB -0.243 40.646 40.800 0.148 0.000 0.967 188 D HN 0.305 nan 8.370 nan 0.000 0.464 189 I N -0.274 120.384 120.570 0.147 0.000 2.315 189 I HA -0.174 3.996 4.170 -0.000 0.000 0.251 189 I C 1.609 177.828 176.117 0.170 0.000 1.125 189 I CA 1.506 62.898 61.300 0.153 0.000 1.392 189 I CB -0.103 37.989 38.000 0.152 0.000 1.065 189 I HN 0.214 nan 8.210 nan 0.000 0.424 190 G N -0.106 108.781 108.800 0.144 0.000 2.200 190 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.145 190 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.145 190 G C 0.110 174.984 174.900 -0.044 0.000 1.021 190 G CA -0.365 44.829 45.100 0.157 0.000 0.720 190 G HN 0.050 nan 8.290 nan 0.000 0.494 191 V N 1.218 121.056 119.914 -0.127 0.000 2.740 191 V HA 0.432 4.551 4.120 -0.000 0.000 0.303 191 V C 1.739 177.592 176.094 -0.401 0.000 1.054 191 V CA 1.098 63.226 62.300 -0.285 0.000 1.106 191 V CB 1.436 33.104 31.823 -0.257 0.000 0.957 191 V HN 0.820 nan 8.190 nan 0.000 0.486 192 A N 3.318 125.829 122.820 -0.516 0.000 2.132 192 A HA 0.604 4.923 4.320 -0.000 0.000 0.213 192 A C 1.006 178.366 177.584 -0.373 0.000 1.154 192 A CA 0.955 52.666 52.037 -0.543 0.000 0.753 192 A CB -0.123 18.608 19.000 -0.449 0.000 0.826 192 A HN 1.390 nan 8.150 nan 0.000 0.469 193 G N -2.217 106.273 108.800 -0.516 0.000 2.317 193 G HA2 0.449 4.409 3.960 -0.000 0.000 0.293 193 G HA3 0.449 4.409 3.960 -0.000 0.000 0.293 193 G C -1.601 172.804 174.900 -0.826 0.000 1.287 193 G CA -0.765 44.058 45.100 -0.462 0.000 0.850 193 G HN 0.251 nan 8.290 nan 0.000 0.515 194 F N -0.333 119.558 119.950 -0.098 0.000 2.591 194 F HA 0.672 5.199 4.527 -0.001 0.000 0.309 194 F C 0.266 175.597 175.800 -0.783 0.000 1.098 194 F CA -0.815 57.008 58.000 -0.295 0.000 0.937 194 F CB 2.484 41.335 39.000 -0.250 0.000 1.250 194 F HN 0.502 nan 8.300 nan 0.000 0.447 195 R N 3.366 123.436 120.500 -0.716 0.000 2.216 195 R HA 0.452 4.792 4.340 -0.000 0.000 0.332 195 R C -1.052 175.038 176.300 -0.351 0.000 1.056 195 R CA -0.437 55.022 56.100 -1.069 0.000 0.901 195 R CB 0.269 30.183 30.300 -0.643 0.000 1.039 195 R HN 0.518 nan 8.270 nan 0.000 0.456 196 I N 4.330 124.745 120.570 -0.259 0.000 2.322 196 I HA 0.057 4.227 4.170 -0.000 0.000 0.292 196 I C 0.225 176.334 176.117 -0.014 0.000 1.060 196 I CA -0.535 60.707 61.300 -0.096 0.000 1.309 196 I CB 0.553 38.505 38.000 -0.080 0.000 1.415 196 I HN 0.656 nan 8.210 nan 0.000 0.492 197 D N 5.666 126.098 120.400 0.053 0.000 2.389 197 D HA 0.363 5.002 4.640 -0.000 0.000 0.247 197 D C 0.818 177.197 176.300 0.132 0.000 1.128 197 D CA 0.287 54.373 54.000 0.143 0.000 0.884 197 D CB 0.799 41.747 40.800 0.248 0.000 1.194 197 D HN 0.781 nan 8.370 nan 0.000 0.441 198 A N 2.949 125.868 122.820 0.165 0.000 2.687 198 A HA -0.228 4.092 4.320 -0.000 0.000 0.299 198 A C 1.755 179.422 177.584 0.137 0.000 1.497 198 A CA 1.112 53.280 52.037 0.218 0.000 0.751 198 A CB -2.071 17.108 19.000 0.299 0.000 1.048 198 A HN 0.460 nan 8.150 nan 0.000 0.464 199 S N -0.529 115.171 115.700 -0.000 0.000 2.419 199 S HA -0.155 4.314 4.470 -0.000 0.000 0.233 199 S C 1.800 176.262 174.600 -0.230 0.000 1.016 199 S CA 1.435 59.572 58.200 -0.106 0.000 0.974 199 S CB -0.116 62.940 63.200 -0.239 0.000 0.786 199 S HN 0.846 nan 8.310 nan 0.000 0.492 200 K N 0.705 120.921 120.400 -0.308 0.000 2.283 200 K HA -0.104 4.216 4.320 -0.000 0.000 0.202 200 K C 0.927 177.264 176.600 -0.438 0.000 1.048 200 K CA 0.997 57.053 56.287 -0.386 0.000 0.948 200 K CB -0.082 32.180 32.500 -0.396 0.000 0.742 200 K HN 0.448 nan 8.250 nan 0.000 0.458 201 H N -0.434 118.606 119.070 -0.050 0.000 2.524 201 H HA 0.197 4.753 4.556 -0.001 0.000 0.280 201 H C -0.082 175.192 175.328 -0.090 0.000 1.018 201 H CA 0.328 56.333 56.048 -0.071 0.000 1.165 201 H CB 0.084 29.847 29.762 0.002 0.000 1.411 201 H HN 0.161 nan 8.280 nan 0.000 0.569 202 M N -0.508 119.065 119.600 -0.044 0.000 2.572 202 M HA 0.192 4.672 4.480 -0.000 0.000 0.299 202 M C -1.136 175.123 176.300 -0.068 0.000 1.205 202 M CA -0.829 54.464 55.300 -0.012 0.000 0.876 202 M CB 2.568 35.226 32.600 0.096 0.000 1.728 202 M HN -0.004 nan 8.290 nan 0.000 0.458 203 W N 2.177 123.495 121.300 0.031 0.000 2.216 203 W HA 0.247 4.907 4.660 0.000 0.000 0.326 203 W C -1.773 174.707 176.519 -0.066 0.000 1.319 203 W CA -0.895 56.425 57.345 -0.042 0.000 1.213 203 W CB -0.152 29.270 29.460 -0.063 0.000 1.171 203 W HN 0.474 nan 8.180 nan 0.000 0.557 204 P HA -0.218 nan 4.420 nan 0.000 0.216 204 P C 1.706 179.001 177.300 -0.007 0.000 1.154 204 P CA 2.508 65.508 63.100 -0.167 0.000 0.865 204 P CB 0.061 31.489 31.700 -0.453 0.000 0.789 205 G N -0.717 108.104 108.800 0.035 0.000 2.443 205 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 205 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 205 G C 1.184 176.109 174.900 0.043 0.000 1.131 205 G CA 0.664 45.779 45.100 0.026 0.000 0.775 205 G HN 0.195 nan 8.290 nan 0.000 0.547 206 D N 0.575 121.029 120.400 0.090 0.000 2.149 206 D HA -0.012 4.628 4.640 -0.000 0.000 0.201 206 D C 2.561 178.890 176.300 0.048 0.000 0.972 206 D CA 0.229 54.273 54.000 0.073 0.000 0.835 206 D CB -0.005 40.870 40.800 0.125 0.000 0.966 206 D HN 0.348 nan 8.370 nan 0.000 0.476 207 I N 0.830 121.438 120.570 0.064 0.000 2.179 207 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 207 I C 2.369 178.492 176.117 0.010 0.000 1.088 207 I CA 0.990 62.313 61.300 0.040 0.000 1.357 207 I CB -0.132 37.919 38.000 0.086 0.000 1.051 207 I HN -0.097 nan 8.210 nan 0.000 0.409 208 K N 1.673 122.083 120.400 0.017 0.000 2.063 208 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 208 K C 2.020 178.616 176.600 -0.007 0.000 1.048 208 K CA 1.879 58.168 56.287 0.003 0.000 0.928 208 K CB -0.512 31.992 32.500 0.008 0.000 0.713 208 K HN 0.307 nan 8.250 nan 0.000 0.442 209 A N -0.167 122.650 122.820 -0.005 0.000 1.972 209 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 209 A C 2.298 179.864 177.584 -0.030 0.000 1.169 209 A CA 1.770 53.799 52.037 -0.013 0.000 0.635 209 A CB -0.580 18.415 19.000 -0.008 0.000 0.810 209 A HN 0.136 nan 8.150 nan 0.000 0.446 210 V N -0.555 119.335 119.914 -0.040 0.000 2.323 210 V HA -0.169 3.951 4.120 -0.000 0.000 0.244 210 V C 2.425 178.467 176.094 -0.087 0.000 1.041 210 V CA 1.574 63.829 62.300 -0.075 0.000 1.025 210 V CB -0.667 31.100 31.823 -0.092 0.000 0.656 210 V HN 0.466 nan 8.190 nan 0.000 0.451 211 L N 0.256 121.438 121.223 -0.068 0.000 2.079 211 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 211 L C 2.063 178.909 176.870 -0.040 0.000 1.081 211 L CA 1.832 56.637 54.840 -0.058 0.000 0.752 211 L CB -1.130 40.904 42.059 -0.041 0.000 0.896 211 L HN 0.345 nan 8.230 nan 0.000 0.433 212 D N -0.586 119.796 120.400 -0.029 0.000 2.263 212 D HA -0.142 4.497 4.640 -0.000 0.000 0.208 212 D C 1.890 178.178 176.300 -0.020 0.000 0.971 212 D CA 0.840 54.830 54.000 -0.016 0.000 0.867 212 D CB 0.034 40.828 40.800 -0.010 0.000 0.929 212 D HN 0.351 nan 8.370 nan 0.000 0.492 213 K N -0.222 120.153 120.400 -0.042 0.000 2.444 213 K HA 0.147 4.467 4.320 -0.000 0.000 0.193 213 K C 0.594 177.151 176.600 -0.072 0.000 1.024 213 K CA -0.041 56.215 56.287 -0.052 0.000 1.077 213 K CB 0.660 33.112 32.500 -0.079 0.000 0.833 213 K HN 0.108 nan 8.250 nan 0.000 0.517 214 L N 1.164 122.348 121.223 -0.065 0.000 2.395 214 L HA 0.173 4.513 4.340 -0.000 0.000 0.269 214 L C 0.545 177.432 176.870 0.029 0.000 1.133 214 L CA -0.473 54.320 54.840 -0.078 0.000 0.812 214 L CB 0.546 42.574 42.059 -0.051 0.000 1.125 214 L HN 0.185 nan 8.230 nan 0.000 0.452 215 H N 0.950 120.010 119.070 -0.017 0.000 2.679 215 H HA 0.116 4.671 4.556 -0.000 0.000 0.369 215 H C -0.111 175.210 175.328 -0.012 0.000 1.178 215 H CA -0.944 55.097 56.048 -0.011 0.000 1.419 215 H CB 0.706 30.463 29.762 -0.007 0.000 1.458 215 H HN 0.517 nan 8.280 nan 0.000 0.605 216 N N 0.776 119.540 118.700 0.106 0.000 2.399 216 N HA 0.051 4.791 4.740 -0.000 0.000 0.250 216 N C -0.058 175.471 175.510 0.030 0.000 1.272 216 N CA -0.200 52.875 53.050 0.042 0.000 0.928 216 N CB 0.613 39.115 38.487 0.026 0.000 1.158 216 N HN 0.314 nan 8.380 nan 0.000 0.463 217 L N 0.999 122.205 121.223 -0.027 0.000 2.464 217 L HA 0.095 4.434 4.340 -0.000 0.000 0.264 217 L C 1.179 178.118 176.870 0.116 0.000 1.199 217 L CA -0.485 54.303 54.840 -0.087 0.000 0.818 217 L CB 0.152 41.932 42.059 -0.464 0.000 1.102 217 L HN 0.473 nan 8.230 nan 0.000 0.473 218 N N 1.048 119.894 118.700 0.244 0.000 2.429 218 N HA -0.059 4.681 4.740 -0.000 0.000 0.271 218 N C 0.893 176.593 175.510 0.316 0.000 1.272 218 N CA 0.147 53.373 53.050 0.293 0.000 0.921 218 N CB 1.003 39.731 38.487 0.402 0.000 1.128 218 N HN 0.654 nan 8.380 nan 0.000 0.481 219 T N 0.648 115.271 114.554 0.115 0.000 3.163 219 T HA -0.009 4.341 4.350 -0.000 0.000 0.260 219 T C 1.135 175.769 174.700 -0.110 0.000 1.156 219 T CA 0.296 62.424 62.100 0.045 0.000 1.072 219 T CB -0.031 68.842 68.868 0.007 0.000 0.937 219 T HN 0.339 nan 8.240 nan 0.000 0.528 220 N N 0.527 119.062 118.700 -0.276 0.000 2.309 220 N HA -0.017 4.723 4.740 -0.000 0.000 0.182 220 N C 0.870 175.929 175.510 -0.752 0.000 1.018 220 N CA 0.950 53.617 53.050 -0.638 0.000 0.876 220 N CB -0.153 37.606 38.487 -1.214 0.000 0.972 220 N HN 0.650 nan 8.380 nan 0.000 0.434 221 W N -1.320 119.877 121.300 -0.172 0.000 2.835 221 W HA 0.319 4.979 4.660 -0.000 0.000 0.278 221 W C -0.353 175.740 176.519 -0.709 0.000 1.075 221 W CA -0.272 56.789 57.345 -0.474 0.000 1.439 221 W CB 0.097 29.139 29.460 -0.697 0.000 0.927 221 W HN -0.171 nan 8.180 nan 0.000 0.604 222 F N 0.776 120.811 119.950 0.142 0.000 2.561 222 F HA 0.490 5.017 4.527 -0.001 0.000 0.321 222 F C -1.933 173.888 175.800 0.035 0.000 1.065 222 F CA -2.594 55.457 58.000 0.086 0.000 0.934 222 F CB 0.287 39.336 39.000 0.081 0.000 1.215 222 F HN -0.467 nan 8.300 nan 0.000 0.471 223 P HA 0.060 nan 4.420 nan 0.000 0.270 223 P C 0.198 177.558 177.300 0.100 0.000 1.227 223 P CA 0.324 63.485 63.100 0.101 0.000 0.788 223 P CB 0.528 32.278 31.700 0.084 0.000 0.926 224 A N 2.127 124.981 122.820 0.056 0.000 1.870 224 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 224 A C 1.635 179.244 177.584 0.043 0.000 1.286 224 A CA 2.326 54.387 52.037 0.040 0.000 0.682 224 A CB -1.884 17.130 19.000 0.023 0.000 0.844 224 A HN 0.650 nan 8.150 nan 0.000 0.460 225 G N -0.352 108.472 108.800 0.040 0.000 4.403 225 G HA2 0.473 4.432 3.960 -0.000 0.000 0.297 225 G HA3 0.473 4.432 3.960 -0.000 0.000 0.297 225 G C -0.340 174.583 174.900 0.040 0.000 1.325 225 G CA 0.211 45.331 45.100 0.034 0.000 1.378 225 G HN 0.325 nan 8.290 nan 0.000 0.595 226 S N 0.277 116.007 115.700 0.050 0.000 2.513 226 S HA 0.472 4.942 4.470 -0.000 0.000 0.276 226 S C 0.323 174.921 174.600 -0.004 0.000 1.254 226 S CA -0.572 57.650 58.200 0.038 0.000 1.053 226 S CB 1.840 65.085 63.200 0.076 0.000 0.958 226 S HN 0.513 nan 8.310 nan 0.000 0.491 227 R N 3.420 123.919 120.500 -0.001 0.000 2.404 227 R HA 0.412 4.751 4.340 -0.000 0.000 0.291 227 R C -2.528 173.754 176.300 -0.030 0.000 1.025 227 R CA -1.886 54.210 56.100 -0.006 0.000 0.991 227 R CB 0.391 30.700 30.300 0.014 0.000 1.053 227 R HN 0.323 nan 8.270 nan 0.000 0.479 228 P HA -0.089 nan 4.420 nan 0.000 0.266 228 P C -0.757 176.569 177.300 0.044 0.000 1.195 228 P CA 0.084 63.157 63.100 -0.045 0.000 0.768 228 P CB 0.304 32.004 31.700 0.000 0.000 0.838 229 F N 4.699 124.607 119.950 -0.071 0.000 2.456 229 F HA 0.297 4.823 4.527 -0.001 0.000 0.358 229 F C -0.290 175.514 175.800 0.007 0.000 1.095 229 F CA -0.661 57.322 58.000 -0.029 0.000 1.216 229 F CB 0.101 39.114 39.000 0.021 0.000 1.125 229 F HN 0.106 nan 8.300 nan 0.000 0.549 230 I N 8.502 128.739 120.570 -0.555 0.000 2.447 230 I HA 0.281 4.450 4.170 -0.000 0.000 0.287 230 I C -0.987 174.804 176.117 -0.544 0.000 1.023 230 I CA -0.721 60.313 61.300 -0.444 0.000 1.083 230 I CB 1.084 38.956 38.000 -0.213 0.000 1.245 230 I HN 0.494 nan 8.210 nan 0.000 0.434 231 F N 3.591 123.197 119.950 -0.574 0.000 2.529 231 F HA 0.734 5.260 4.527 -0.001 0.000 0.320 231 F C -0.361 175.350 175.800 -0.149 0.000 1.118 231 F CA -0.954 56.827 58.000 -0.365 0.000 0.915 231 F CB 1.103 39.877 39.000 -0.378 0.000 1.161 231 F HN 0.352 nan 8.300 nan 0.000 0.445 232 Q N 1.955 121.801 119.800 0.076 0.000 2.256 232 Q HA 0.235 4.575 4.340 -0.000 0.000 0.257 232 Q C -0.707 175.344 176.000 0.086 0.000 0.936 232 Q CA -0.822 54.994 55.803 0.023 0.000 0.903 232 Q CB 2.385 31.131 28.738 0.014 0.000 1.263 232 Q HN 0.720 nan 8.270 nan 0.000 0.440 233 E N 2.944 123.187 120.200 0.072 0.000 2.003 233 E HA 0.206 4.555 4.350 -0.000 0.000 0.279 233 E C -1.392 175.244 176.600 0.059 0.000 1.132 233 E CA -0.216 56.285 56.400 0.168 0.000 0.888 233 E CB 0.517 30.326 29.700 0.182 0.000 1.056 233 E HN 0.312 nan 8.360 nan 0.000 0.399 234 V N 7.164 127.133 119.914 0.092 0.000 2.482 234 V HA 0.298 4.417 4.120 -0.000 0.000 0.295 234 V C 0.079 176.216 176.094 0.072 0.000 1.026 234 V CA -0.679 61.584 62.300 -0.060 0.000 0.856 234 V CB 1.548 33.215 31.823 -0.261 0.000 1.001 234 V HN 0.622 nan 8.190 nan 0.000 0.424 235 I N 4.349 124.857 120.570 -0.104 0.000 2.308 235 I HA 0.317 4.487 4.170 -0.000 0.000 0.293 235 I C -0.362 175.703 176.117 -0.088 0.000 1.078 235 I CA 0.337 61.496 61.300 -0.235 0.000 1.292 235 I CB 0.642 38.340 38.000 -0.502 0.000 1.423 235 I HN 0.596 nan 8.210 nan 0.000 0.493 236 D N 7.374 127.791 120.400 0.029 0.000 2.346 236 D HA 0.182 4.822 4.640 -0.000 0.000 0.255 236 D C 0.175 176.514 176.300 0.065 0.000 1.276 236 D CA -0.393 53.627 54.000 0.033 0.000 0.941 236 D CB 1.109 41.942 40.800 0.055 0.000 1.199 236 D HN 0.195 nan 8.370 nan 0.000 0.537 237 L N 2.163 123.407 121.223 0.034 0.000 2.567 237 L HA 0.456 4.796 4.340 -0.000 0.000 0.225 237 L C 1.331 178.234 176.870 0.055 0.000 1.119 237 L CA 1.011 55.884 54.840 0.056 0.000 0.871 237 L CB -1.157 40.925 42.059 0.038 0.000 1.036 237 L HN 0.728 nan 8.230 nan 0.000 0.459 238 G N -1.492 107.331 108.800 0.039 0.000 2.525 238 G HA2 0.227 4.186 3.960 -0.000 0.000 0.685 238 G HA3 0.227 4.186 3.960 -0.000 0.000 0.685 238 G C 0.538 175.450 174.900 0.019 0.000 1.290 238 G CA -0.478 44.643 45.100 0.035 0.000 0.915 238 G HN 0.540 nan 8.290 nan 0.000 0.548 239 G N -1.017 107.796 108.800 0.020 0.000 2.155 239 G HA2 -0.052 3.907 3.960 -0.000 0.000 0.257 239 G HA3 -0.052 3.907 3.960 -0.000 0.000 0.257 239 G C 0.213 175.125 174.900 0.021 0.000 0.983 239 G CA 1.920 47.030 45.100 0.018 0.000 0.676 239 G HN 1.218 nan 8.290 nan 0.000 0.528 240 E N -1.740 118.475 120.200 0.025 0.000 2.423 240 E HA 0.709 5.059 4.350 -0.000 0.000 0.269 240 E C 1.273 177.895 176.600 0.036 0.000 0.948 240 E CA -0.518 55.906 56.400 0.041 0.000 0.802 240 E CB 1.183 30.913 29.700 0.050 0.000 1.339 240 E HN 0.391 nan 8.360 nan 0.000 0.445 241 A N 0.909 123.755 122.820 0.042 0.000 1.902 241 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 241 A C 0.942 178.531 177.584 0.008 0.000 1.181 241 A CA 1.026 53.077 52.037 0.024 0.000 0.623 241 A CB -0.432 18.578 19.000 0.017 0.000 0.818 241 A HN 0.463 nan 8.150 nan 0.000 0.443 242 I N 0.012 120.586 120.570 0.007 0.000 2.396 242 I HA 0.309 4.479 4.170 -0.000 0.000 0.292 242 I C -0.323 175.808 176.117 0.023 0.000 0.999 242 I CA -0.482 60.821 61.300 0.004 0.000 1.310 242 I CB 1.446 39.439 38.000 -0.012 0.000 1.404 242 I HN 0.019 nan 8.210 nan 0.000 0.496 243 K N 2.786 123.202 120.400 0.026 0.000 2.267 243 K HA 0.411 4.731 4.320 -0.000 0.000 0.246 243 K C 0.628 177.247 176.600 0.032 0.000 0.954 243 K CA -0.527 55.768 56.287 0.014 0.000 0.824 243 K CB 1.795 34.281 32.500 -0.023 0.000 1.167 243 K HN 0.408 nan 8.250 nan 0.000 0.431 244 S N -0.096 115.608 115.700 0.006 0.000 2.368 244 S HA -0.187 4.283 4.470 -0.000 0.000 0.225 244 S C 1.688 176.085 174.600 -0.338 0.000 1.030 244 S CA 1.788 59.989 58.200 0.003 0.000 0.999 244 S CB -0.349 62.919 63.200 0.112 0.000 0.844 244 S HN 0.770 nan 8.310 nan 0.000 0.459 245 S N 2.161 117.456 115.700 -0.676 0.000 2.420 245 S HA -0.193 4.276 4.470 -0.000 0.000 0.237 245 S C 1.478 175.711 174.600 -0.612 0.000 1.023 245 S CA 1.147 58.611 58.200 -1.227 0.000 0.991 245 S CB -0.617 62.235 63.200 -0.581 0.000 0.792 245 S HN 0.618 nan 8.310 nan 0.000 0.488 246 E N 0.082 120.111 120.200 -0.285 0.000 2.265 246 E HA -0.129 4.221 4.350 -0.000 0.000 0.196 246 E C 0.815 177.198 176.600 -0.361 0.000 0.996 246 E CA 1.200 57.438 56.400 -0.271 0.000 0.832 246 E CB -0.284 29.244 29.700 -0.287 0.000 0.756 246 E HN 0.796 nan 8.360 nan 0.000 0.491 247 Y N -1.557 118.676 120.300 -0.112 0.000 2.458 247 Y HA 0.096 4.646 4.550 -0.000 0.000 0.256 247 Y C 1.177 177.191 175.900 0.191 0.000 1.159 247 Y CA -0.340 57.779 58.100 0.032 0.000 1.261 247 Y CB 0.333 38.823 38.460 0.050 0.000 1.119 247 Y HN -0.010 nan 8.280 nan 0.000 0.524 248 F N -0.391 119.675 119.950 0.193 0.000 2.451 248 F HA -0.000 4.526 4.527 -0.001 0.000 0.299 248 F C 2.194 178.146 175.800 0.254 0.000 1.101 248 F CA 0.738 58.872 58.000 0.224 0.000 1.436 248 F CB -1.152 37.950 39.000 0.168 0.000 1.074 248 F HN 0.096 nan 8.300 nan 0.000 0.553 249 G N -0.522 108.468 108.800 0.318 0.000 2.511 249 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 249 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 249 G C 1.554 176.548 174.900 0.156 0.000 1.133 249 G CA 0.324 45.566 45.100 0.237 0.000 0.792 249 G HN 0.232 nan 8.290 nan 0.000 0.539 250 N N 0.458 119.231 118.700 0.121 0.000 2.405 250 N HA 0.248 4.988 4.740 -0.000 0.000 0.175 250 N C 1.154 176.588 175.510 -0.127 0.000 1.051 250 N CA 1.001 54.063 53.050 0.020 0.000 0.899 250 N CB 0.873 39.404 38.487 0.072 0.000 1.000 250 N HN 0.461 nan 8.380 nan 0.000 0.451 251 G N -0.393 108.307 108.800 -0.167 0.000 2.356 251 G HA2 0.077 4.037 3.960 -0.000 0.000 0.266 251 G HA3 0.077 4.037 3.960 -0.000 0.000 0.266 251 G C -1.327 173.569 174.900 -0.007 0.000 1.312 251 G CA -0.955 43.855 45.100 -0.483 0.000 0.922 251 G HN 0.016 nan 8.290 nan 0.000 0.480 252 R N -1.156 119.358 120.500 0.023 0.000 2.637 252 R HA 0.627 4.967 4.340 -0.000 0.000 0.269 252 R C -0.505 175.908 176.300 0.188 0.000 1.089 252 R CA -0.375 55.832 56.100 0.178 0.000 1.177 252 R CB 1.237 31.631 30.300 0.156 0.000 1.091 252 R HN 0.352 nan 8.270 nan 0.000 0.540 253 V N 0.515 120.564 119.914 0.225 0.000 2.735 253 V HA 0.180 4.300 4.120 -0.000 0.000 0.310 253 V C -0.043 176.174 176.094 0.204 0.000 1.061 253 V CA -1.075 61.374 62.300 0.248 0.000 0.913 253 V CB 2.039 34.083 31.823 0.370 0.000 1.005 253 V HN 0.966 nan 8.190 nan 0.000 0.428 254 T N 0.382 115.069 114.554 0.221 0.000 2.829 254 T HA 0.177 4.527 4.350 -0.000 0.000 0.293 254 T C -0.085 174.694 174.700 0.132 0.000 0.970 254 T CA -0.142 62.077 62.100 0.199 0.000 1.168 254 T CB 0.474 69.488 68.868 0.242 0.000 0.911 254 T HN 0.719 nan 8.240 nan 0.000 0.535 255 E N 2.727 122.908 120.200 -0.032 0.000 1.963 255 E HA 0.296 4.646 4.350 -0.000 0.000 0.274 255 E C -0.361 176.047 176.600 -0.320 0.000 1.061 255 E CA -0.961 55.381 56.400 -0.096 0.000 0.847 255 E CB -0.428 29.206 29.700 -0.109 0.000 1.083 255 E HN 0.663 nan 8.360 nan 0.000 0.402 256 F N 2.869 122.771 119.950 -0.080 0.000 2.502 256 F HA 0.053 4.579 4.527 -0.001 0.000 0.298 256 F C 1.684 177.383 175.800 -0.168 0.000 1.111 256 F CA 0.612 58.550 58.000 -0.103 0.000 1.445 256 F CB 0.163 39.193 39.000 0.049 0.000 1.081 256 F HN 0.416 nan 8.300 nan 0.000 0.558 257 K N -0.866 119.483 120.400 -0.085 0.000 2.147 257 K HA -0.231 4.089 4.320 -0.000 0.000 0.205 257 K C 1.786 178.115 176.600 -0.452 0.000 1.049 257 K CA 1.341 57.517 56.287 -0.184 0.000 0.936 257 K CB -0.415 31.974 32.500 -0.185 0.000 0.722 257 K HN 0.259 nan 8.250 nan 0.000 0.446 258 Y N 1.178 120.942 120.300 -0.894 0.000 2.070 258 Y HA -0.207 4.343 4.550 -0.000 0.000 0.280 258 Y C 2.393 178.150 175.900 -0.238 0.000 1.148 258 Y CA 2.021 59.663 58.100 -0.762 0.000 1.125 258 Y CB -0.672 37.356 38.460 -0.719 0.000 0.975 258 Y HN 0.043 nan 8.280 nan 0.000 0.492 259 G N -0.877 107.862 108.800 -0.102 0.000 2.448 259 G HA2 -0.130 3.829 3.960 -0.000 0.000 0.218 259 G HA3 -0.130 3.829 3.960 -0.000 0.000 0.218 259 G C 1.728 176.629 174.900 0.001 0.000 1.135 259 G CA 0.714 45.795 45.100 -0.031 0.000 0.784 259 G HN 0.603 nan 8.290 nan 0.000 0.543 260 A N 0.993 123.826 122.820 0.022 0.000 1.873 260 A HA 0.053 4.373 4.320 -0.000 0.000 0.215 260 A C 2.397 180.027 177.584 0.077 0.000 1.186 260 A CA 1.678 53.757 52.037 0.071 0.000 0.616 260 A CB -0.211 18.850 19.000 0.102 0.000 0.823 260 A HN 0.184 nan 8.150 nan 0.000 0.442 261 K N -0.157 120.319 120.400 0.126 0.000 2.062 261 K HA 0.053 4.373 4.320 -0.000 0.000 0.205 261 K C 1.980 178.587 176.600 0.011 0.000 1.051 261 K CA 0.761 57.176 56.287 0.214 0.000 0.941 261 K CB -0.856 31.937 32.500 0.488 0.000 0.719 261 K HN 0.499 nan 8.250 nan 0.000 0.440 262 L N 0.586 121.752 121.223 -0.095 0.000 2.012 262 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 262 L C 2.338 179.010 176.870 -0.331 0.000 1.073 262 L CA 1.735 56.322 54.840 -0.422 0.000 0.748 262 L CB -0.930 40.878 42.059 -0.418 0.000 0.891 262 L HN 0.301 nan 8.230 nan 0.000 0.431 263 G N -1.105 107.576 108.800 -0.198 0.000 2.491 263 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 263 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 263 G C 1.454 176.158 174.900 -0.325 0.000 1.180 263 G CA 1.393 46.361 45.100 -0.220 0.000 0.774 263 G HN 0.342 nan 8.290 nan 0.000 0.562 264 T N 0.777 115.199 114.554 -0.220 0.000 2.684 264 T HA -0.135 4.214 4.350 -0.000 0.000 0.267 264 T C 2.528 177.111 174.700 -0.194 0.000 1.036 264 T CA 1.368 63.360 62.100 -0.181 0.000 1.148 264 T CB -0.376 68.526 68.868 0.056 0.000 0.863 264 T HN 0.063 nan 8.240 nan 0.000 0.436 265 V N 1.126 120.923 119.914 -0.196 0.000 2.295 265 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 265 V C 2.666 178.561 176.094 -0.331 0.000 1.049 265 V CA 1.403 63.556 62.300 -0.244 0.000 1.024 265 V CB -0.664 30.925 31.823 -0.390 0.000 0.648 265 V HN 0.321 nan 8.190 nan 0.000 0.447 266 V N -0.258 119.417 119.914 -0.398 0.000 2.548 266 V HA -0.164 3.955 4.120 -0.000 0.000 0.249 266 V C 2.398 178.297 176.094 -0.326 0.000 1.055 266 V CA 1.672 63.745 62.300 -0.378 0.000 1.065 266 V CB -0.767 30.827 31.823 -0.382 0.000 0.681 266 V HN 0.466 nan 8.190 nan 0.000 0.462 267 R N 0.016 120.262 120.500 -0.423 0.000 2.307 267 R HA 0.046 4.386 4.340 -0.000 0.000 0.199 267 R C 0.561 176.666 176.300 -0.325 0.000 1.000 267 R CA 0.081 55.870 56.100 -0.520 0.000 1.023 267 R CB -0.119 29.484 30.300 -1.162 0.000 0.908 267 R HN 0.422 nan 8.270 nan 0.000 0.473 268 K N -0.251 120.021 120.400 -0.213 0.000 3.150 268 K HA -0.166 4.154 4.320 -0.000 0.000 0.267 268 K C -0.987 175.709 176.600 0.160 0.000 1.028 268 K CA 0.430 56.688 56.287 -0.049 0.000 0.753 268 K CB -0.948 31.531 32.500 -0.035 0.000 1.288 268 K HN 0.151 nan 8.250 nan 0.000 0.473 269 W N 0.113 121.400 121.300 -0.023 0.000 2.415 269 W HA 0.289 4.949 4.660 0.000 0.000 0.355 269 W C 1.240 177.767 176.519 0.014 0.000 1.161 269 W CA -1.052 56.291 57.345 -0.003 0.000 1.315 269 W CB 0.754 30.216 29.460 0.004 0.000 1.261 269 W HN 0.196 nan 8.180 nan 0.000 0.636 270 S N 0.489 116.332 115.700 0.240 0.000 3.587 270 S HA -0.116 4.354 4.470 -0.000 0.000 0.337 270 S C 1.022 175.700 174.600 0.129 0.000 1.119 270 S CA 1.672 59.961 58.200 0.149 0.000 0.976 270 S CB -1.582 61.718 63.200 0.166 0.000 0.922 270 S HN 1.618 nan 8.310 nan 0.000 0.503 271 G N -0.376 108.494 108.800 0.117 0.000 2.168 271 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.263 271 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.263 271 G C -0.200 174.770 174.900 0.118 0.000 0.977 271 G CA 0.488 45.652 45.100 0.106 0.000 0.659 271 G HN 0.624 nan 8.290 nan 0.000 0.533 272 E N 0.476 120.741 120.200 0.109 0.000 2.383 272 E HA 0.510 4.859 4.350 -0.000 0.000 0.264 272 E C 0.512 177.010 176.600 -0.170 0.000 1.050 272 E CA 0.331 56.778 56.400 0.079 0.000 0.896 272 E CB 0.851 30.621 29.700 0.117 0.000 0.982 272 E HN 0.520 nan 8.360 nan 0.000 0.424 273 K N 1.537 121.650 120.400 -0.478 0.000 2.502 273 K HA 0.283 4.603 4.320 -0.000 0.000 0.257 273 K C 0.782 177.104 176.600 -0.463 0.000 0.938 273 K CA -0.551 55.390 56.287 -0.576 0.000 0.819 273 K CB 1.927 33.897 32.500 -0.883 0.000 1.333 273 K HN 0.296 nan 8.250 nan 0.000 0.434 274 M N 1.226 120.619 119.600 -0.345 0.000 2.296 274 M HA -0.157 4.323 4.480 -0.000 0.000 0.265 274 M C 1.630 177.871 176.300 -0.099 0.000 1.064 274 M CA 1.817 56.931 55.300 -0.310 0.000 1.109 274 M CB 0.095 32.486 32.600 -0.349 0.000 1.396 274 M HN 0.745 nan 8.290 nan 0.000 0.430 275 S N -0.535 115.131 115.700 -0.057 0.000 2.469 275 S HA -0.161 4.309 4.470 -0.000 0.000 0.238 275 S C 1.384 176.203 174.600 0.365 0.000 0.998 275 S CA 0.748 59.074 58.200 0.210 0.000 0.957 275 S CB -0.827 62.422 63.200 0.081 0.000 0.764 275 S HN 0.525 nan 8.310 nan 0.000 0.514 276 Y N 1.593 121.974 120.300 0.135 0.000 2.509 276 Y HA 0.303 4.853 4.550 -0.000 0.000 0.293 276 Y C 1.788 177.858 175.900 0.284 0.000 1.133 276 Y CA -0.785 57.427 58.100 0.187 0.000 1.283 276 Y CB -0.836 37.766 38.460 0.237 0.000 1.001 276 Y HN 0.301 nan 8.280 nan 0.000 0.555 277 L N 0.088 121.435 121.223 0.208 0.000 2.675 277 L HA -0.109 4.231 4.340 -0.000 0.000 0.238 277 L C 2.276 179.038 176.870 -0.179 0.000 1.155 277 L CA 0.586 55.371 54.840 -0.093 0.000 0.881 277 L CB -0.378 41.374 42.059 -0.512 0.000 1.008 277 L HN 0.139 nan 8.230 nan 0.000 0.443 278 K N 2.039 122.186 120.400 -0.421 0.000 2.063 278 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 278 K C 1.345 177.647 176.600 -0.497 0.000 1.048 278 K CA 2.025 57.654 56.287 -1.097 0.000 0.928 278 K CB -0.010 31.952 32.500 -0.897 0.000 0.713 278 K HN 0.618 nan 8.250 nan 0.000 0.442 279 N N -0.968 117.641 118.700 -0.150 0.000 2.279 279 N HA -0.044 4.696 4.740 -0.000 0.000 0.226 279 N C -0.175 175.358 175.510 0.039 0.000 1.126 279 N CA -0.691 52.316 53.050 -0.071 0.000 0.846 279 N CB -0.068 38.394 38.487 -0.042 0.000 1.050 279 N HN 0.184 nan 8.380 nan 0.000 0.502 280 W N 1.833 122.938 121.300 -0.325 0.000 2.391 280 W HA 0.109 4.769 4.660 -0.000 0.000 0.339 280 W C 0.616 176.807 176.519 -0.546 0.000 1.252 280 W CA 2.141 59.071 57.345 -0.691 0.000 1.304 280 W CB 0.401 29.381 29.460 -0.799 0.000 1.179 280 W HN 0.506 nan 8.180 nan 0.000 0.567 281 G N 4.080 112.203 108.800 -1.129 0.000 2.348 281 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.199 281 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.199 281 G C 0.224 174.694 174.900 -0.716 0.000 1.235 281 G CA 0.069 44.572 45.100 -0.994 0.000 1.264 281 G HN 0.442 nan 8.290 nan 0.000 0.543 282 E N 0.925 120.969 120.200 -0.260 0.000 2.274 282 E HA 0.163 4.512 4.350 -0.000 0.000 0.194 282 E C 2.444 178.933 176.600 -0.185 0.000 0.996 282 E CA 1.377 57.701 56.400 -0.126 0.000 0.840 282 E CB -0.443 29.262 29.700 0.008 0.000 0.772 282 E HN 0.736 nan 8.360 nan 0.000 0.491 283 G N -0.260 108.426 108.800 -0.190 0.000 2.448 283 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.219 283 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.219 283 G C 0.590 175.364 174.900 -0.210 0.000 1.127 283 G CA 0.256 45.264 45.100 -0.152 0.000 0.766 283 G HN 0.268 nan 8.290 nan 0.000 0.552 284 W N 0.070 120.973 121.300 -0.662 0.000 3.353 284 W HA 0.433 5.092 4.660 -0.001 0.000 0.304 284 W C 1.617 177.720 176.519 -0.693 0.000 1.273 284 W CA -0.000 56.874 57.345 -0.784 0.000 1.773 284 W CB 0.203 28.904 29.460 -1.265 0.000 1.095 284 W HN 0.307 nan 8.180 nan 0.000 0.676 285 G N -0.593 108.026 108.800 -0.301 0.000 2.132 285 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.234 285 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.234 285 G C -0.042 174.938 174.900 0.134 0.000 0.989 285 G CA -0.554 44.502 45.100 -0.074 0.000 0.676 285 G HN -0.009 nan 8.290 nan 0.000 0.522 286 F N 0.994 120.896 119.950 -0.079 0.000 2.368 286 F HA 0.705 5.231 4.527 -0.001 0.000 0.315 286 F C 1.530 177.384 175.800 0.091 0.000 1.145 286 F CA -1.599 56.372 58.000 -0.048 0.000 1.095 286 F CB 0.355 39.181 39.000 -0.288 0.000 1.286 286 F HN 0.319 nan 8.300 nan 0.000 0.530 287 M N 1.099 120.932 119.600 0.389 0.000 2.167 287 M HA 0.356 4.836 4.480 -0.000 0.000 0.300 287 M C -2.534 173.916 176.300 0.250 0.000 1.171 287 M CA -1.357 54.149 55.300 0.342 0.000 1.171 287 M CB -0.550 32.296 32.600 0.411 0.000 1.396 287 M HN 0.162 nan 8.290 nan 0.000 0.466 288 P HA -0.026 nan 4.420 nan 0.000 0.265 288 P C 0.239 177.471 177.300 -0.112 0.000 1.187 288 P CA 0.190 63.277 63.100 -0.021 0.000 0.766 288 P CB 0.668 32.277 31.700 -0.152 0.000 0.820 289 S N 2.566 118.181 115.700 -0.142 0.000 2.370 289 S HA -0.196 4.273 4.470 -0.000 0.000 0.226 289 S C 1.366 175.747 174.600 -0.364 0.000 1.033 289 S CA 1.906 59.810 58.200 -0.494 0.000 1.011 289 S CB -0.938 62.077 63.200 -0.307 0.000 0.852 289 S HN 0.638 nan 8.310 nan 0.000 0.457 290 D N -0.069 120.185 120.400 -0.243 0.000 2.392 290 D HA -0.063 4.577 4.640 -0.000 0.000 0.228 290 D C 1.547 177.713 176.300 -0.222 0.000 1.003 290 D CA 0.452 54.326 54.000 -0.211 0.000 0.917 290 D CB -0.292 40.380 40.800 -0.214 0.000 0.890 290 D HN 0.298 nan 8.370 nan 0.000 0.532 291 R N -0.197 120.135 120.500 -0.280 0.000 2.404 291 R HA 0.429 4.769 4.340 -0.000 0.000 0.237 291 R C 0.232 176.465 176.300 -0.112 0.000 0.907 291 R CA 0.080 56.015 56.100 -0.275 0.000 1.063 291 R CB 0.549 30.376 30.300 -0.788 0.000 1.134 291 R HN 0.204 nan 8.270 nan 0.000 0.529 292 A N 1.351 124.085 122.820 -0.142 0.000 2.305 292 A HA 0.576 4.896 4.320 -0.000 0.000 0.322 292 A C -0.807 176.740 177.584 -0.061 0.000 1.187 292 A CA -0.538 51.444 52.037 -0.092 0.000 0.825 292 A CB 0.894 19.787 19.000 -0.179 0.000 1.164 292 A HN 0.184 nan 8.150 nan 0.000 0.498 293 L N 3.776 124.993 121.223 -0.009 0.000 2.296 293 L HA 0.715 5.055 4.340 -0.000 0.000 0.286 293 L C -0.305 176.537 176.870 -0.047 0.000 1.023 293 L CA -0.393 54.438 54.840 -0.016 0.000 0.812 293 L CB 1.697 43.702 42.059 -0.091 0.000 1.223 293 L HN 0.723 nan 8.230 nan 0.000 0.421 294 V N 2.134 121.958 119.914 -0.150 0.000 2.864 294 V HA 0.846 4.966 4.120 -0.000 0.000 0.314 294 V C -0.882 175.098 176.094 -0.190 0.000 1.073 294 V CA -0.678 61.355 62.300 -0.444 0.000 0.956 294 V CB 1.668 32.921 31.823 -0.951 0.000 1.023 294 V HN 0.806 nan 8.190 nan 0.000 0.435 295 F N -0.158 119.611 119.950 -0.301 0.000 2.744 295 F HA 0.762 5.288 4.527 -0.001 0.000 0.311 295 F C -0.020 175.808 175.800 0.046 0.000 1.144 295 F CA -0.890 57.042 58.000 -0.114 0.000 0.938 295 F CB 0.719 39.649 39.000 -0.116 0.000 1.292 295 F HN 0.256 nan 8.300 nan 0.000 0.444 296 V N 0.160 120.203 119.914 0.215 0.000 2.346 296 V HA 0.017 4.137 4.120 -0.000 0.000 0.244 296 V C 0.221 176.490 176.094 0.292 0.000 1.037 296 V CA 2.065 64.483 62.300 0.196 0.000 1.029 296 V CB -0.537 31.374 31.823 0.145 0.000 0.663 296 V HN 0.923 nan 8.190 nan 0.000 0.454 297 D N -0.531 120.130 120.400 0.435 0.000 2.552 297 D HA 0.305 4.945 4.640 -0.000 0.000 0.239 297 D C -0.973 175.548 176.300 0.369 0.000 1.139 297 D CA -0.652 53.594 54.000 0.409 0.000 0.914 297 D CB 1.750 42.739 40.800 0.315 0.000 1.461 297 D HN 0.288 nan 8.370 nan 0.000 0.462 298 N N -1.611 117.211 118.700 0.204 0.000 2.701 298 N HA 0.090 4.830 4.740 -0.000 0.000 0.290 298 N C 1.169 176.606 175.510 -0.121 0.000 1.338 298 N CA -0.502 52.532 53.050 -0.026 0.000 0.799 298 N CB 0.335 38.672 38.487 -0.249 0.000 1.491 298 N HN 0.605 nan 8.380 nan 0.000 0.540 299 H N -1.346 117.554 119.070 -0.283 0.000 2.489 299 H HA -0.029 4.526 4.556 -0.000 0.000 0.295 299 H C -0.263 174.701 175.328 -0.605 0.000 1.082 299 H CA 1.260 56.873 56.048 -0.726 0.000 1.295 299 H CB -0.021 28.973 29.762 -1.280 0.000 1.380 299 H HN 0.473 nan 8.280 nan 0.000 0.548 300 D N 1.352 121.277 120.400 -0.793 0.000 2.146 300 D HA -0.119 4.521 4.640 -0.000 0.000 0.209 300 D C 2.001 178.236 176.300 -0.108 0.000 0.973 300 D CA 1.402 55.136 54.000 -0.443 0.000 0.860 300 D CB -0.246 40.380 40.800 -0.290 0.000 1.015 300 D HN 0.572 nan 8.370 nan 0.000 0.465 301 N N 1.023 119.724 118.700 0.001 0.000 2.494 301 N HA -0.140 4.600 4.740 -0.000 0.000 0.182 301 N C 1.427 177.018 175.510 0.136 0.000 1.076 301 N CA 0.575 53.695 53.050 0.116 0.000 0.908 301 N CB -0.708 37.895 38.487 0.194 0.000 0.967 301 N HN 0.343 nan 8.380 nan 0.000 0.449 302 Q N 0.664 120.523 119.800 0.099 0.000 2.437 302 Q HA -0.078 4.262 4.340 -0.000 0.000 0.210 302 Q C 0.854 177.020 176.000 0.278 0.000 0.972 302 Q CA 0.884 56.792 55.803 0.175 0.000 0.903 302 Q CB -0.209 28.628 28.738 0.163 0.000 0.967 302 Q HN 0.604 nan 8.270 nan 0.000 0.486 303 R N -1.029 119.576 120.500 0.176 0.000 2.629 303 R HA 0.435 4.774 4.340 -0.000 0.000 0.386 303 R C 0.589 177.067 176.300 0.297 0.000 1.071 303 R CA 0.050 56.302 56.100 0.252 0.000 1.104 303 R CB 0.412 30.666 30.300 -0.076 0.000 1.370 303 R HN 0.186 nan 8.270 nan 0.000 0.574 304 G N 0.862 109.809 108.800 0.245 0.000 2.148 304 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.254 304 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.254 304 G C -0.151 174.862 174.900 0.189 0.000 0.981 304 G CA 0.272 45.498 45.100 0.209 0.000 0.670 304 G HN 0.577 nan 8.290 nan 0.000 0.528 305 H N -0.341 118.785 119.070 0.093 0.000 2.500 305 H HA 0.474 5.030 4.556 -0.001 0.000 0.351 305 H C 1.451 176.785 175.328 0.010 0.000 1.281 305 H CA 0.236 56.335 56.048 0.086 0.000 1.368 305 H CB 1.157 31.034 29.762 0.191 0.000 1.616 305 H HN 0.991 nan 8.280 nan 0.000 0.591 306 G N 0.054 108.900 108.800 0.077 0.000 2.561 306 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.289 306 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.289 306 G C -0.497 174.348 174.900 -0.093 0.000 1.169 306 G CA 0.359 45.425 45.100 -0.057 0.000 0.980 306 G HN 0.979 nan 8.290 nan 0.000 0.550 307 A N -1.757 120.990 122.820 -0.121 0.000 2.572 307 A HA 0.969 5.289 4.320 -0.000 0.000 0.295 307 A C 0.780 178.384 177.584 0.034 0.000 1.072 307 A CA 1.171 53.161 52.037 -0.078 0.000 0.691 307 A CB 1.091 19.995 19.000 -0.159 0.000 1.291 307 A HN 2.747 nan 8.150 nan 0.000 0.404 308 G N -0.290 108.557 108.800 0.078 0.000 3.967 308 G HA2 0.549 4.508 3.960 -0.000 0.000 0.210 308 G HA3 0.549 4.508 3.960 -0.000 0.000 0.210 308 G C 1.594 176.568 174.900 0.123 0.000 1.127 308 G CA 1.385 46.568 45.100 0.137 0.000 0.887 308 G HN 2.865 nan 8.290 nan 0.000 0.367 309 G N 0.097 108.965 108.800 0.115 0.000 2.562 309 G HA2 0.046 4.005 3.960 -0.000 0.000 0.250 309 G HA3 0.046 4.005 3.960 -0.000 0.000 0.250 309 G C 1.381 176.379 174.900 0.163 0.000 1.269 309 G CA 1.827 47.001 45.100 0.123 0.000 0.919 309 G HN 1.928 nan 8.290 nan 0.000 0.574 310 S N -0.440 115.380 115.700 0.200 0.000 2.474 310 S HA 0.021 4.491 4.470 -0.000 0.000 0.235 310 S C 2.393 177.182 174.600 0.316 0.000 0.997 310 S CA 1.977 60.342 58.200 0.275 0.000 0.949 310 S CB -0.320 63.059 63.200 0.298 0.000 0.766 310 S HN 2.067 nan 8.310 nan 0.000 0.517 311 S N 1.243 117.085 115.700 0.236 0.000 2.496 311 S HA 0.217 4.687 4.470 -0.000 0.000 0.224 311 S C 0.720 175.279 174.600 -0.067 0.000 0.996 311 S CA -0.397 57.772 58.200 -0.052 0.000 0.927 311 S CB -0.680 62.512 63.200 -0.013 0.000 0.774 311 S HN 0.347 nan 8.310 nan 0.000 0.524 312 I N 3.080 123.685 120.570 0.058 0.000 2.821 312 I HA 0.067 4.237 4.170 -0.000 0.000 0.294 312 I C 0.343 176.509 176.117 0.082 0.000 1.210 312 I CA -0.270 61.084 61.300 0.090 0.000 1.430 312 I CB -0.789 37.302 38.000 0.151 0.000 1.356 312 I HN 0.320 nan 8.210 nan 0.000 0.563 313 L N 7.118 128.407 121.223 0.110 0.000 2.350 313 L HA 0.427 4.766 4.340 -0.000 0.000 0.275 313 L C 0.749 177.763 176.870 0.239 0.000 1.099 313 L CA -0.174 54.770 54.840 0.173 0.000 0.808 313 L CB 1.416 43.606 42.059 0.219 0.000 1.149 313 L HN 0.794 nan 8.230 nan 0.000 0.442 314 T N -1.917 112.647 114.554 0.017 0.000 2.804 314 T HA 0.340 4.689 4.350 -0.000 0.000 0.290 314 T C 0.799 175.055 174.700 -0.740 0.000 1.099 314 T CA -0.593 61.290 62.100 -0.362 0.000 1.011 314 T CB 0.723 69.510 68.868 -0.135 0.000 1.291 314 T HN 0.422 nan 8.240 nan 0.000 0.523 315 F N -1.044 118.421 119.950 -0.808 0.000 2.250 315 F HA 0.134 4.662 4.527 0.000 0.000 0.301 315 F C 1.691 177.420 175.800 -0.119 0.000 1.077 315 F CA 0.182 57.926 58.000 -0.427 0.000 1.348 315 F CB -1.083 37.699 39.000 -0.364 0.000 1.040 315 F HN 0.562 nan 8.300 nan 0.000 0.509 316 W N 1.516 122.381 121.300 -0.725 0.000 2.421 316 W HA -0.090 4.570 4.660 0.001 0.000 0.270 316 W C 0.489 176.926 176.519 -0.137 0.000 1.233 316 W CA 0.817 57.899 57.345 -0.438 0.000 1.226 316 W CB -0.164 28.977 29.460 -0.533 0.000 1.121 316 W HN -0.000 nan 8.180 nan 0.000 0.579 317 D N -0.261 120.205 120.400 0.111 0.000 2.863 317 D HA 0.252 4.892 4.640 -0.000 0.000 0.323 317 D C 1.252 177.677 176.300 0.208 0.000 1.286 317 D CA 0.113 54.194 54.000 0.135 0.000 0.921 317 D CB 0.527 41.391 40.800 0.105 0.000 1.024 317 D HN 0.002 nan 8.370 nan 0.000 0.505 318 A N 1.204 124.161 122.820 0.229 0.000 1.892 318 A HA -0.272 4.047 4.320 -0.000 0.000 0.218 318 A C 2.180 179.944 177.584 0.301 0.000 1.188 318 A CA 1.393 53.624 52.037 0.323 0.000 0.631 318 A CB -0.256 18.808 19.000 0.106 0.000 0.822 318 A HN 0.304 nan 8.150 nan 0.000 0.447 319 R N -1.285 119.321 120.500 0.176 0.000 2.066 319 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 319 R C 1.908 178.308 176.300 0.167 0.000 1.131 319 R CA 1.431 57.624 56.100 0.156 0.000 0.955 319 R CB -0.346 30.012 30.300 0.096 0.000 0.851 319 R HN 0.387 nan 8.270 nan 0.000 0.432 320 L N 0.008 121.309 121.223 0.129 0.000 2.141 320 L HA -0.141 4.198 4.340 -0.000 0.000 0.209 320 L C 1.995 178.936 176.870 0.118 0.000 1.094 320 L CA 1.454 56.335 54.840 0.067 0.000 0.763 320 L CB -0.906 41.164 42.059 0.019 0.000 0.908 320 L HN 0.243 nan 8.230 nan 0.000 0.437 321 Y N 0.457 120.817 120.300 0.100 0.000 2.200 321 Y HA -0.247 4.302 4.550 -0.001 0.000 0.290 321 Y C 2.443 178.448 175.900 0.176 0.000 1.137 321 Y CA 1.714 59.899 58.100 0.143 0.000 1.163 321 Y CB -0.054 38.550 38.460 0.240 0.000 0.988 321 Y HN 0.105 nan 8.280 nan 0.000 0.518 322 K N -0.565 119.996 120.400 0.267 0.000 2.148 322 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 322 K C 2.125 178.762 176.600 0.061 0.000 1.050 322 K CA 1.479 57.914 56.287 0.248 0.000 0.942 322 K CB -0.404 32.364 32.500 0.447 0.000 0.724 322 K HN 0.399 nan 8.250 nan 0.000 0.446 323 V N -0.734 119.127 119.914 -0.089 0.000 2.548 323 V HA -0.046 4.073 4.120 -0.000 0.000 0.249 323 V C 2.055 177.947 176.094 -0.337 0.000 1.055 323 V CA 1.680 63.697 62.300 -0.472 0.000 1.065 323 V CB -0.287 31.324 31.823 -0.353 0.000 0.681 323 V HN 0.198 nan 8.190 nan 0.000 0.462 324 A N 0.367 123.040 122.820 -0.244 0.000 1.898 324 A HA -0.060 4.259 4.320 -0.000 0.000 0.216 324 A C 2.351 179.859 177.584 -0.127 0.000 1.181 324 A CA 2.199 54.099 52.037 -0.228 0.000 0.620 324 A CB -0.876 18.011 19.000 -0.188 0.000 0.819 324 A HN 0.526 nan 8.150 nan 0.000 0.442 325 V N -0.102 119.699 119.914 -0.187 0.000 2.427 325 V HA -0.132 3.988 4.120 -0.000 0.000 0.248 325 V C 2.780 178.876 176.094 0.004 0.000 1.051 325 V CA 1.796 64.023 62.300 -0.121 0.000 1.048 325 V CB -1.389 30.289 31.823 -0.242 0.000 0.666 325 V HN 0.602 nan 8.190 nan 0.000 0.456 326 G N -0.877 107.938 108.800 0.024 0.000 2.408 326 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 326 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 326 G C 1.562 176.545 174.900 0.139 0.000 1.150 326 G CA 0.882 46.044 45.100 0.105 0.000 0.776 326 G HN 0.486 nan 8.290 nan 0.000 0.542 327 F N 0.821 120.784 119.950 0.021 0.000 2.146 327 F HA 0.065 4.592 4.527 0.000 0.000 0.298 327 F C 2.599 178.491 175.800 0.153 0.000 1.096 327 F CA 1.889 59.919 58.000 0.051 0.000 1.275 327 F CB -0.067 38.663 39.000 -0.449 0.000 1.008 327 F HN 0.145 nan 8.300 nan 0.000 0.480 328 M N -0.495 119.221 119.600 0.194 0.000 2.086 328 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 328 M C 1.852 178.234 176.300 0.138 0.000 1.067 328 M CA 1.680 57.143 55.300 0.270 0.000 1.116 328 M CB -0.344 32.432 32.600 0.294 0.000 1.348 328 M HN 0.248 nan 8.290 nan 0.000 0.407 329 L N 0.654 121.917 121.223 0.068 0.000 2.201 329 L HA -0.030 4.310 4.340 -0.000 0.000 0.212 329 L C 2.622 179.529 176.870 0.062 0.000 1.105 329 L CA 1.897 56.757 54.840 0.033 0.000 0.775 329 L CB -1.380 40.688 42.059 0.014 0.000 0.913 329 L HN 0.417 nan 8.230 nan 0.000 0.440 330 A N -2.791 120.040 122.820 0.019 0.000 2.081 330 A HA -0.066 4.254 4.320 -0.000 0.000 0.214 330 A C 1.245 179.032 177.584 0.338 0.000 1.158 330 A CA 0.127 52.213 52.037 0.081 0.000 0.724 330 A CB -0.514 18.346 19.000 -0.234 0.000 0.826 330 A HN 0.391 nan 8.150 nan 0.000 0.463 331 H N 0.722 119.865 119.070 0.122 0.000 2.582 331 H HA 0.203 4.759 4.556 -0.000 0.000 0.345 331 H C -1.727 173.696 175.328 0.159 0.000 1.104 331 H CA -1.379 54.736 56.048 0.111 0.000 1.390 331 H CB 1.589 31.262 29.762 -0.148 0.000 1.461 331 H HN 0.072 nan 8.280 nan 0.000 0.551 332 P HA -0.141 nan 4.420 nan 0.000 0.226 332 P C 0.217 177.599 177.300 0.137 0.000 1.153 332 P CA 0.617 63.743 63.100 0.044 0.000 0.777 332 P CB -0.087 31.594 31.700 -0.031 0.000 0.794 333 Y N 2.211 122.653 120.300 0.236 0.000 2.442 333 Y HA 0.351 4.901 4.550 -0.000 0.000 0.330 333 Y C 1.136 177.062 175.900 0.043 0.000 1.129 333 Y CA 1.364 59.559 58.100 0.159 0.000 1.365 333 Y CB -0.146 38.451 38.460 0.228 0.000 1.233 333 Y HN 0.308 nan 8.280 nan 0.000 0.529 334 G N 4.486 112.901 108.800 -0.642 0.000 2.829 334 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.628 334 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.628 334 G C -1.474 173.318 174.900 -0.180 0.000 1.412 334 G CA -0.404 44.408 45.100 -0.481 0.000 0.864 334 G HN 0.881 nan 8.290 nan 0.000 0.544 335 F N 1.906 121.708 119.950 -0.247 0.000 2.415 335 F HA 0.645 5.171 4.527 -0.000 0.000 0.348 335 F C 1.216 176.898 175.800 -0.196 0.000 1.119 335 F CA 0.097 57.978 58.000 -0.199 0.000 1.069 335 F CB 1.490 40.377 39.000 -0.187 0.000 1.124 335 F HN 0.820 nan 8.300 nan 0.000 0.472 336 T N 4.296 118.400 114.554 -0.749 0.000 2.806 336 T HA 0.395 4.745 4.350 -0.000 0.000 0.290 336 T C -0.317 174.166 174.700 -0.361 0.000 0.966 336 T CA -0.868 60.966 62.100 -0.443 0.000 1.060 336 T CB 1.178 69.846 68.868 -0.333 0.000 0.927 336 T HN 0.780 nan 8.240 nan 0.000 0.485 337 R N 2.692 123.111 120.500 -0.136 0.000 2.437 337 R HA 0.587 4.927 4.340 -0.000 0.000 0.310 337 R C -1.372 174.954 176.300 0.044 0.000 0.955 337 R CA -0.697 55.374 56.100 -0.048 0.000 0.851 337 R CB 1.321 31.578 30.300 -0.073 0.000 1.161 337 R HN 0.600 nan 8.270 nan 0.000 0.446 338 V N 5.560 125.519 119.914 0.075 0.000 2.481 338 V HA 0.290 4.409 4.120 -0.000 0.000 0.286 338 V C 0.288 176.470 176.094 0.147 0.000 1.042 338 V CA -0.687 61.690 62.300 0.127 0.000 0.928 338 V CB 1.531 33.453 31.823 0.165 0.000 0.986 338 V HN 0.789 nan 8.190 nan 0.000 0.462 339 M N 4.046 123.752 119.600 0.176 0.000 2.274 339 M HA 0.462 4.942 4.480 -0.000 0.000 0.344 339 M C -0.103 176.252 176.300 0.091 0.000 1.161 339 M CA 0.655 56.047 55.300 0.153 0.000 1.126 339 M CB 1.334 34.057 32.600 0.205 0.000 1.522 339 M HN 0.650 nan 8.290 nan 0.000 0.461 340 S N 2.256 117.974 115.700 0.029 0.000 2.614 340 S HA 0.828 5.297 4.470 -0.000 0.000 0.288 340 S C -1.247 173.425 174.600 0.121 0.000 1.137 340 S CA -0.590 57.640 58.200 0.049 0.000 0.992 340 S CB 0.847 64.014 63.200 -0.055 0.000 1.026 340 S HN 0.812 nan 8.310 nan 0.000 0.486 341 S N 2.486 118.239 115.700 0.089 0.000 2.751 341 S HA 0.793 5.263 4.470 -0.000 0.000 0.310 341 S C -1.489 173.197 174.600 0.144 0.000 1.128 341 S CA -0.723 57.519 58.200 0.069 0.000 0.931 341 S CB 0.907 64.004 63.200 -0.170 0.000 1.177 341 S HN 0.763 nan 8.310 nan 0.000 0.530 342 Y N -0.576 119.801 120.300 0.128 0.000 2.562 342 Y HA 0.779 5.329 4.550 -0.000 0.000 0.343 342 Y C -0.297 175.603 175.900 0.001 0.000 1.025 342 Y CA -1.352 56.700 58.100 -0.079 0.000 1.082 342 Y CB 0.753 39.004 38.460 -0.348 0.000 1.264 342 Y HN 0.548 nan 8.280 nan 0.000 0.478 343 R N 1.811 122.367 120.500 0.093 0.000 2.410 343 R HA 0.495 4.835 4.340 -0.000 0.000 0.288 343 R C -1.687 174.929 176.300 0.527 0.000 1.051 343 R CA -0.478 55.721 56.100 0.166 0.000 1.021 343 R CB 0.793 31.058 30.300 -0.059 0.000 1.032 343 R HN 0.958 nan 8.270 nan 0.000 0.481 344 W N 1.647 123.185 121.300 0.396 0.000 3.031 344 W HA 0.660 5.321 4.660 0.001 0.000 0.337 344 W C -1.553 175.136 176.519 0.284 0.000 1.187 344 W CA -1.304 56.206 57.345 0.275 0.000 1.166 344 W CB 0.851 30.443 29.460 0.220 0.000 1.437 344 W HN 0.604 nan 8.180 nan 0.000 0.551 345 A N 3.597 126.513 122.820 0.161 0.000 2.395 345 A HA 0.456 4.776 4.320 -0.000 0.000 0.286 345 A C 0.170 177.691 177.584 -0.105 0.000 1.193 345 A CA -0.548 51.489 52.037 0.001 0.000 0.852 345 A CB -0.085 18.937 19.000 0.036 0.000 1.118 345 A HN 0.679 nan 8.150 nan 0.000 0.524 346 R N 1.814 122.106 120.500 -0.348 0.000 2.531 346 R HA 0.328 4.668 4.340 -0.000 0.000 0.273 346 R C -0.575 175.583 176.300 -0.236 0.000 1.070 346 R CA -0.424 55.441 56.100 -0.392 0.000 1.112 346 R CB 0.640 30.528 30.300 -0.686 0.000 1.049 346 R HN 0.731 nan 8.270 nan 0.000 0.508 347 N N 2.132 120.665 118.700 -0.279 0.000 2.594 347 N HA 0.163 4.902 4.740 -0.000 0.000 0.280 347 N C -1.833 173.600 175.510 -0.129 0.000 1.156 347 N CA -0.348 52.650 53.050 -0.087 0.000 0.831 347 N CB 0.534 39.020 38.487 -0.002 0.000 1.379 347 N HN 0.312 nan 8.380 nan 0.000 0.536 348 F N 2.180 122.127 119.950 -0.004 0.000 2.411 348 F HA 0.403 4.931 4.527 0.001 0.000 0.355 348 F C 0.734 176.545 175.800 0.019 0.000 1.117 348 F CA -0.734 57.271 58.000 0.007 0.000 1.139 348 F CB 1.323 40.309 39.000 -0.024 0.000 1.120 348 F HN 0.150 nan 8.300 nan 0.000 0.493 349 V N 1.248 121.272 119.914 0.183 0.000 2.540 349 V HA 0.469 4.589 4.120 -0.000 0.000 0.302 349 V C -0.014 176.156 176.094 0.126 0.000 1.035 349 V CA -1.135 61.241 62.300 0.127 0.000 0.873 349 V CB 1.299 33.176 31.823 0.089 0.000 0.992 349 V HN 0.910 nan 8.190 nan 0.000 0.428 350 N N 3.983 122.740 118.700 0.096 0.000 2.716 350 N HA -0.188 4.552 4.740 -0.000 0.000 0.250 350 N C 1.082 176.646 175.510 0.091 0.000 1.033 350 N CA 0.897 53.990 53.050 0.073 0.000 0.727 350 N CB -1.141 37.379 38.487 0.056 0.000 0.950 350 N HN 1.986 nan 8.380 nan 0.000 0.541 351 G N -0.469 108.408 108.800 0.128 0.000 2.159 351 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.256 351 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.256 351 G C -0.204 174.871 174.900 0.292 0.000 0.977 351 G CA 0.780 45.969 45.100 0.148 0.000 0.652 351 G HN 0.825 nan 8.290 nan 0.000 0.531 352 E N 0.009 120.384 120.200 0.291 0.000 2.266 352 E HA 0.571 4.920 4.350 -0.000 0.000 0.268 352 E C -1.312 175.339 176.600 0.083 0.000 0.879 352 E CA -1.118 55.417 56.400 0.225 0.000 0.762 352 E CB 1.821 31.594 29.700 0.123 0.000 1.199 352 E HN -0.017 nan 8.360 nan 0.000 0.422 353 D N 2.826 123.131 120.400 -0.158 0.000 2.325 353 D HA 0.026 4.666 4.640 -0.000 0.000 0.251 353 D C 0.802 177.071 176.300 -0.052 0.000 1.196 353 D CA -0.610 53.130 54.000 -0.433 0.000 0.866 353 D CB 1.710 42.152 40.800 -0.596 0.000 1.101 353 D HN 0.411 nan 8.370 nan 0.000 0.476 354 V N 1.578 121.498 119.914 0.010 0.000 3.623 354 V HA 0.187 4.307 4.120 -0.000 0.000 0.271 354 V C 0.626 176.872 176.094 0.252 0.000 1.248 354 V CA 0.216 62.607 62.300 0.151 0.000 1.156 354 V CB -0.544 31.364 31.823 0.142 0.000 0.870 354 V HN 0.300 nan 8.190 nan 0.000 0.453 355 N N 1.959 120.734 118.700 0.124 0.000 2.251 355 N HA 0.067 4.807 4.740 -0.000 0.000 0.217 355 N C 0.941 176.400 175.510 -0.085 0.000 1.124 355 N CA 0.748 53.778 53.050 -0.034 0.000 0.843 355 N CB 0.064 38.551 38.487 0.000 0.000 1.024 355 N HN 0.787 nan 8.380 nan 0.000 0.501 356 D N -0.539 119.951 120.400 0.150 0.000 2.392 356 D HA -0.143 4.497 4.640 -0.000 0.000 0.228 356 D C 1.474 177.995 176.300 0.368 0.000 1.003 356 D CA 0.131 54.236 54.000 0.175 0.000 0.917 356 D CB -0.579 40.461 40.800 0.400 0.000 0.890 356 D HN 0.519 nan 8.370 nan 0.000 0.532 357 W N 0.669 122.180 121.300 0.353 0.000 2.658 357 W HA 0.254 4.914 4.660 -0.000 0.000 0.263 357 W C 0.199 176.787 176.519 0.116 0.000 1.274 357 W CA -0.705 56.795 57.345 0.258 0.000 1.343 357 W CB -0.592 28.974 29.460 0.177 0.000 1.106 357 W HN -0.195 nan 8.180 nan 0.000 0.615 358 I N 2.713 122.991 120.570 -0.487 0.000 2.683 358 I HA 0.115 4.284 4.170 -0.000 0.000 0.286 358 I C 1.418 177.554 176.117 0.032 0.000 1.175 358 I CA 0.541 61.514 61.300 -0.544 0.000 1.429 358 I CB 0.251 37.901 38.000 -0.584 0.000 1.371 358 I HN -0.124 nan 8.210 nan 0.000 0.569 359 G N 7.316 116.118 108.800 0.004 0.000 2.588 359 G HA2 0.403 4.363 3.960 -0.000 0.000 0.281 359 G HA3 0.403 4.363 3.960 -0.000 0.000 0.281 359 G C -2.473 172.089 174.900 -0.564 0.000 1.236 359 G CA -1.050 44.011 45.100 -0.066 0.000 0.969 359 G HN 0.411 nan 8.290 nan 0.000 0.504 360 P HA 0.111 nan 4.420 nan 0.000 0.267 360 P C -2.606 174.180 177.300 -0.857 0.000 1.201 360 P CA -0.766 61.518 63.100 -1.360 0.000 0.775 360 P CB -0.312 30.982 31.700 -0.677 0.000 0.854 361 P HA -0.035 nan 4.420 nan 0.000 0.259 361 P C -0.315 176.783 177.300 -0.336 0.000 1.163 361 P CA 0.930 63.676 63.100 -0.589 0.000 0.760 361 P CB -0.318 30.902 31.700 -0.799 0.000 0.762 362 N N 0.599 119.170 118.700 -0.214 0.000 2.708 362 N HA 0.280 5.019 4.740 -0.000 0.000 0.257 362 N C -1.551 173.905 175.510 -0.090 0.000 1.373 362 N CA -1.076 51.895 53.050 -0.131 0.000 0.843 362 N CB 1.288 39.700 38.487 -0.124 0.000 1.503 362 N HN 0.111 nan 8.380 nan 0.000 0.504 363 N N 1.042 119.704 118.700 -0.063 0.000 2.564 363 N HA 0.195 4.935 4.740 -0.000 0.000 0.248 363 N C -0.882 174.606 175.510 -0.038 0.000 0.986 363 N CA -0.153 52.870 53.050 -0.045 0.000 0.921 363 N CB 0.031 38.496 38.487 -0.036 0.000 1.136 363 N HN 0.739 nan 8.380 nan 0.000 0.509 364 N N 2.595 121.275 118.700 -0.033 0.000 2.727 364 N HA -0.212 4.528 4.740 -0.000 0.000 0.249 364 N C 0.881 176.372 175.510 -0.032 0.000 1.048 364 N CA 1.689 54.724 53.050 -0.026 0.000 0.714 364 N CB -1.213 37.262 38.487 -0.020 0.000 0.959 364 N HN 0.986 nan 8.380 nan 0.000 0.544 365 G N -2.920 105.854 108.800 -0.043 0.000 2.254 365 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.225 365 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.225 365 G C 0.057 174.922 174.900 -0.058 0.000 1.003 365 G CA 0.308 45.377 45.100 -0.051 0.000 0.622 365 G HN 1.261 nan 8.290 nan 0.000 0.507 366 V N 2.562 122.445 119.914 -0.052 0.000 2.407 366 V HA 0.707 4.827 4.120 -0.000 0.000 0.278 366 V C 0.817 176.877 176.094 -0.057 0.000 1.037 366 V CA -1.188 61.080 62.300 -0.054 0.000 0.900 366 V CB 0.938 32.736 31.823 -0.041 0.000 0.983 366 V HN 0.356 nan 8.190 nan 0.000 0.459 367 I N 6.263 126.796 120.570 -0.060 0.000 2.741 367 I HA 0.093 4.263 4.170 -0.000 0.000 0.288 367 I C 0.958 177.078 176.117 0.006 0.000 1.192 367 I CA 0.293 61.573 61.300 -0.033 0.000 1.426 367 I CB 0.196 38.183 38.000 -0.022 0.000 1.367 367 I HN 0.657 nan 8.210 nan 0.000 0.563 368 K N 6.369 126.794 120.400 0.041 0.000 2.326 368 K HA 0.077 4.397 4.320 -0.000 0.000 0.275 368 K C 0.257 176.935 176.600 0.130 0.000 1.018 368 K CA -0.353 55.972 56.287 0.064 0.000 0.962 368 K CB 0.566 33.087 32.500 0.035 0.000 0.953 368 K HN 0.593 nan 8.250 nan 0.000 0.475 369 E N 0.725 120.937 120.200 0.019 0.000 2.392 369 E HA 0.078 4.428 4.350 -0.000 0.000 0.259 369 E C -0.730 175.787 176.600 -0.138 0.000 1.108 369 E CA -0.743 55.600 56.400 -0.095 0.000 0.916 369 E CB 0.632 30.278 29.700 -0.090 0.000 0.989 369 E HN 0.051 nan 8.360 nan 0.000 0.432 370 V N 2.971 122.602 119.914 -0.472 0.000 2.427 370 V HA 0.129 4.249 4.120 -0.000 0.000 0.268 370 V C 0.363 176.308 176.094 -0.248 0.000 1.046 370 V CA -0.171 61.778 62.300 -0.586 0.000 0.970 370 V CB 0.280 31.360 31.823 -1.240 0.000 1.001 370 V HN 0.824 nan 8.190 nan 0.000 0.476 371 T N 4.173 118.669 114.554 -0.096 0.000 2.875 371 T HA 0.679 5.029 4.350 -0.000 0.000 0.284 371 T C -0.490 174.185 174.700 -0.040 0.000 0.995 371 T CA -0.757 61.312 62.100 -0.052 0.000 1.060 371 T CB 1.470 70.330 68.868 -0.013 0.000 0.967 371 T HN 0.238 nan 8.240 nan 0.000 0.476 372 I N 2.950 123.502 120.570 -0.031 0.000 2.354 372 I HA 0.331 4.501 4.170 -0.000 0.000 0.292 372 I C 0.416 176.532 176.117 -0.002 0.000 0.989 372 I CA -0.975 60.314 61.300 -0.018 0.000 1.188 372 I CB 0.759 38.750 38.000 -0.014 0.000 1.342 372 I HN 0.778 nan 8.210 nan 0.000 0.457 373 N N 3.266 121.969 118.700 0.004 0.000 2.445 373 N HA 0.355 5.095 4.740 -0.000 0.000 0.264 373 N C 1.233 176.750 175.510 0.012 0.000 1.227 373 N CA -0.340 52.716 53.050 0.009 0.000 0.963 373 N CB 1.162 39.657 38.487 0.013 0.000 1.188 373 N HN 0.705 nan 8.380 nan 0.000 0.491 374 A N 0.795 123.622 122.820 0.012 0.000 2.032 374 A HA -0.207 4.113 4.320 -0.000 0.000 0.221 374 A C 1.203 178.797 177.584 0.018 0.000 1.165 374 A CA 1.772 53.817 52.037 0.014 0.000 0.645 374 A CB -0.511 18.495 19.000 0.011 0.000 0.807 374 A HN 0.864 nan 8.150 nan 0.000 0.453 375 D N -1.142 119.268 120.400 0.017 0.000 2.336 375 D HA 0.000 4.640 4.640 -0.000 0.000 0.228 375 D C 0.829 177.146 176.300 0.029 0.000 1.120 375 D CA 1.106 55.118 54.000 0.020 0.000 0.839 375 D CB -1.250 39.558 40.800 0.013 0.000 0.932 375 D HN 0.671 nan 8.370 nan 0.000 0.509 376 T N -3.566 111.005 114.554 0.028 0.000 6.387 376 T HA -0.271 4.078 4.350 -0.000 0.000 0.290 376 T C 0.459 175.162 174.700 0.005 0.000 1.901 376 T CA 1.561 63.674 62.100 0.022 0.000 3.035 376 T CB -3.070 65.832 68.868 0.056 0.000 1.917 376 T HN 0.563 nan 8.240 nan 0.000 1.121 377 T N -1.348 113.222 114.554 0.025 0.000 2.847 377 T HA 0.685 5.035 4.350 -0.000 0.000 0.279 377 T C 0.866 175.583 174.700 0.028 0.000 0.984 377 T CA -0.391 61.736 62.100 0.047 0.000 0.988 377 T CB 1.438 70.346 68.868 0.065 0.000 1.040 377 T HN 0.574 nan 8.240 nan 0.000 0.528 378 c N 0.536 119.167 118.600 0.051 0.000 2.358 378 c HA 0.882 5.451 4.570 -0.000 0.000 0.354 378 c C 1.391 175.521 174.090 0.067 0.000 1.183 378 c CA -0.472 55.886 56.329 0.048 0.000 2.150 378 c CB 0.692 43.249 42.510 0.078 0.000 2.361 378 c HN 1.182 nan 8.230 nan 0.000 0.535 379 G N 0.167 109.005 108.800 0.063 0.000 2.613 379 G HA2 0.480 4.439 3.960 -0.000 0.000 0.303 379 G HA3 0.480 4.439 3.960 -0.000 0.000 0.303 379 G C -0.176 174.785 174.900 0.101 0.000 1.312 379 G CA -0.191 44.943 45.100 0.057 0.000 1.036 379 G HN 0.807 nan 8.290 nan 0.000 0.513 380 N N -0.051 118.667 118.700 0.030 0.000 2.747 380 N HA -0.148 4.592 4.740 -0.000 0.000 0.249 380 N C -0.018 175.362 175.510 -0.217 0.000 1.107 380 N CA 1.207 54.231 53.050 -0.044 0.000 0.707 380 N CB -0.734 37.781 38.487 0.047 0.000 1.054 380 N HN 0.658 nan 8.380 nan 0.000 0.555 381 D N -3.181 117.135 120.400 -0.140 0.000 3.039 381 D HA -0.239 4.401 4.640 -0.000 0.000 0.222 381 D C -0.337 175.823 176.300 -0.233 0.000 1.179 381 D CA 1.057 54.954 54.000 -0.172 0.000 0.880 381 D CB -1.474 39.221 40.800 -0.176 0.000 1.115 381 D HN 0.592 nan 8.370 nan 0.000 0.416 382 W N 0.215 121.484 121.300 -0.051 0.000 2.356 382 W HA 0.321 4.982 4.660 0.000 0.000 0.311 382 W C 1.703 178.194 176.519 -0.048 0.000 1.328 382 W CA -0.708 56.614 57.345 -0.039 0.000 1.251 382 W CB 0.807 30.175 29.460 -0.152 0.000 1.280 382 W HN -0.105 nan 8.180 nan 0.000 0.524 383 V N 3.484 123.433 119.914 0.058 0.000 3.235 383 V HA -0.058 4.061 4.120 -0.000 0.000 0.259 383 V C 0.973 177.096 176.094 0.050 0.000 1.133 383 V CA 0.275 62.546 62.300 -0.048 0.000 1.128 383 V CB -0.848 30.692 31.823 -0.472 0.000 0.757 383 V HN 0.781 nan 8.190 nan 0.000 0.469 384 c N 1.798 120.473 118.600 0.124 0.000 3.727 384 c HA -0.160 4.409 4.570 -0.000 0.000 0.293 384 c C 1.522 175.464 174.090 -0.247 0.000 1.339 384 c CA 1.091 57.478 56.329 0.097 0.000 2.150 384 c CB -3.058 39.477 42.510 0.041 0.000 1.383 384 c HN 0.837 nan 8.230 nan 0.000 0.614 385 E N 0.370 120.307 120.200 -0.439 0.000 2.153 385 E HA -0.170 4.179 4.350 -0.000 0.000 0.194 385 E C 1.991 178.328 176.600 -0.439 0.000 0.988 385 E CA 1.549 57.300 56.400 -1.081 0.000 0.811 385 E CB -0.162 29.060 29.700 -0.796 0.000 0.746 385 E HN 0.973 nan 8.360 nan 0.000 0.466 386 H N 0.201 119.178 119.070 -0.155 0.000 2.518 386 H HA 0.053 4.609 4.556 -0.001 0.000 0.289 386 H C 1.308 176.755 175.328 0.198 0.000 1.051 386 H CA 0.972 57.074 56.048 0.091 0.000 1.280 386 H CB -0.066 29.697 29.762 0.001 0.000 1.380 386 H HN 0.088 nan 8.280 nan 0.000 0.566 387 R N -0.545 119.677 120.500 -0.464 0.000 2.317 387 R HA 0.039 4.379 4.340 -0.000 0.000 0.208 387 R C -0.189 176.226 176.300 0.192 0.000 0.914 387 R CA -0.392 55.563 56.100 -0.241 0.000 1.060 387 R CB 0.214 30.230 30.300 -0.473 0.000 1.015 387 R HN 0.130 nan 8.270 nan 0.000 0.498 388 W N 1.840 123.181 121.300 0.067 0.000 2.253 388 W HA 0.143 4.802 4.660 -0.000 0.000 0.322 388 W C 1.577 178.175 176.519 0.132 0.000 1.342 388 W CA -1.181 56.223 57.345 0.099 0.000 1.218 388 W CB 0.045 29.586 29.460 0.135 0.000 1.205 388 W HN 0.047 nan 8.180 nan 0.000 0.551 389 R N 1.634 122.314 120.500 0.300 0.000 2.119 389 R HA -0.263 4.077 4.340 -0.000 0.000 0.246 389 R C 1.303 177.724 176.300 0.202 0.000 1.146 389 R CA 2.384 58.608 56.100 0.207 0.000 0.962 389 R CB 0.137 30.504 30.300 0.111 0.000 0.863 389 R HN 0.460 nan 8.270 nan 0.000 0.442 390 E N 0.265 120.594 120.200 0.214 0.000 2.106 390 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 390 E C 1.967 178.718 176.600 0.251 0.000 0.984 390 E CA 1.461 57.972 56.400 0.186 0.000 0.806 390 E CB -0.110 29.717 29.700 0.211 0.000 0.750 390 E HN 0.436 nan 8.360 nan 0.000 0.458 391 I N 0.262 121.025 120.570 0.322 0.000 2.235 391 I HA -0.180 3.989 4.170 -0.000 0.000 0.241 391 I C 2.614 178.884 176.117 0.254 0.000 1.085 391 I CA 0.643 62.105 61.300 0.271 0.000 1.378 391 I CB -0.250 37.910 38.000 0.267 0.000 1.076 391 I HN 0.040 nan 8.210 nan 0.000 0.415 392 R N 1.338 122.034 120.500 0.326 0.000 2.133 392 R HA -0.263 4.077 4.340 -0.000 0.000 0.245 392 R C 1.895 178.328 176.300 0.222 0.000 1.137 392 R CA 2.394 58.701 56.100 0.345 0.000 0.947 392 R CB -0.403 30.129 30.300 0.387 0.000 0.865 392 R HN 0.356 nan 8.270 nan 0.000 0.437 393 N N -0.424 118.400 118.700 0.207 0.000 2.409 393 N HA -0.065 4.675 4.740 -0.000 0.000 0.179 393 N C 1.480 177.148 175.510 0.264 0.000 1.032 393 N CA 0.878 54.056 53.050 0.214 0.000 0.898 393 N CB -0.039 38.545 38.487 0.162 0.000 0.971 393 N HN 0.223 nan 8.380 nan 0.000 0.441 394 M N 0.136 119.851 119.600 0.192 0.000 2.447 394 M HA 0.050 4.530 4.480 -0.000 0.000 0.264 394 M C 1.952 178.320 176.300 0.114 0.000 1.095 394 M CA 0.485 55.875 55.300 0.151 0.000 1.125 394 M CB -0.727 31.927 32.600 0.089 0.000 1.389 394 M HN 0.062 nan 8.290 nan 0.000 0.459 395 V N -2.572 117.363 119.914 0.036 0.000 2.591 395 V HA -0.143 3.977 4.120 -0.000 0.000 0.249 395 V C 2.099 178.150 176.094 -0.073 0.000 1.053 395 V CA 0.942 63.167 62.300 -0.126 0.000 1.068 395 V CB -0.918 30.622 31.823 -0.471 0.000 0.689 395 V HN 0.558 nan 8.190 nan 0.000 0.462 396 W N 0.449 121.671 121.300 -0.130 0.000 2.355 396 W HA -0.214 4.446 4.660 -0.001 0.000 0.309 396 W C 2.402 178.834 176.519 -0.144 0.000 1.206 396 W CA 2.145 59.419 57.345 -0.119 0.000 1.284 396 W CB -0.541 28.889 29.460 -0.049 0.000 1.145 396 W HN 0.421 nan 8.180 nan 0.000 0.502 397 F N 1.859 121.802 119.950 -0.011 0.000 2.087 397 F HA -0.265 4.262 4.527 0.000 0.000 0.299 397 F C 2.700 178.385 175.800 -0.192 0.000 1.100 397 F CA 2.737 60.631 58.000 -0.177 0.000 1.226 397 F CB -0.957 38.082 39.000 0.064 0.000 0.983 397 F HN -0.184 nan 8.300 nan 0.000 0.479 398 R N 0.335 120.930 120.500 0.159 0.000 2.120 398 R HA -0.173 4.166 4.340 -0.000 0.000 0.234 398 R C 1.962 178.168 176.300 -0.157 0.000 1.123 398 R CA 1.912 58.035 56.100 0.038 0.000 0.975 398 R CB -0.477 29.815 30.300 -0.013 0.000 0.866 398 R HN 0.509 nan 8.270 nan 0.000 0.446 399 N N -0.806 117.716 118.700 -0.298 0.000 2.171 399 N HA -0.111 4.629 4.740 -0.000 0.000 0.184 399 N C 1.644 176.916 175.510 -0.397 0.000 1.021 399 N CA 1.008 53.825 53.050 -0.388 0.000 0.854 399 N CB 0.148 38.273 38.487 -0.604 0.000 0.994 399 N HN -0.019 nan 8.380 nan 0.000 0.426 400 V N 1.218 120.843 119.914 -0.483 0.000 2.407 400 V HA -0.136 3.983 4.120 -0.000 0.000 0.248 400 V C 2.024 177.939 176.094 -0.298 0.000 1.055 400 V CA 1.447 63.507 62.300 -0.401 0.000 1.049 400 V CB -0.294 31.222 31.823 -0.511 0.000 0.662 400 V HN 0.346 nan 8.190 nan 0.000 0.455 401 V N -1.971 117.757 119.914 -0.311 0.000 3.596 401 V HA 0.247 4.367 4.120 -0.000 0.000 0.289 401 V C 0.609 176.640 176.094 -0.105 0.000 1.336 401 V CA -0.191 61.983 62.300 -0.210 0.000 1.137 401 V CB -0.464 31.206 31.823 -0.255 0.000 0.966 401 V HN 0.476 nan 8.190 nan 0.000 0.428 402 D N 1.837 122.168 120.400 -0.115 0.000 2.520 402 D HA 0.364 5.003 4.640 -0.000 0.000 0.243 402 D C 1.467 177.736 176.300 -0.051 0.000 1.160 402 D CA 2.048 56.002 54.000 -0.077 0.000 0.877 402 D CB 0.209 40.948 40.800 -0.102 0.000 1.150 402 D HN 0.682 nan 8.370 nan 0.000 0.494 403 G N 2.845 111.630 108.800 -0.026 0.000 2.176 403 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.253 403 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.253 403 G C 0.050 174.950 174.900 0.000 0.000 0.979 403 G CA 0.022 45.113 45.100 -0.015 0.000 0.641 403 G HN 0.549 nan 8.290 nan 0.000 0.530 404 E N 1.389 121.594 120.200 0.008 0.000 2.231 404 E HA 0.442 4.792 4.350 -0.000 0.000 0.277 404 E C -2.162 174.477 176.600 0.065 0.000 0.999 404 E CA -1.815 54.601 56.400 0.027 0.000 0.827 404 E CB 1.724 31.433 29.700 0.015 0.000 1.101 404 E HN 0.276 nan 8.360 nan 0.000 0.393 405 P HA 0.082 nan 4.420 nan 0.000 0.275 405 P C -0.167 177.244 177.300 0.184 0.000 1.228 405 P CA -0.401 62.770 63.100 0.120 0.000 0.786 405 P CB 0.410 32.170 31.700 0.101 0.000 0.927 406 F N 2.403 122.370 119.950 0.030 0.000 2.602 406 F HA 0.292 4.819 4.527 -0.001 0.000 0.385 406 F C 0.047 175.925 175.800 0.129 0.000 1.063 406 F CA 0.636 58.667 58.000 0.051 0.000 1.233 406 F CB -0.040 38.902 39.000 -0.096 0.000 1.067 406 F HN 0.485 nan 8.300 nan 0.000 0.564 407 A N 4.405 127.178 122.820 -0.078 0.000 2.566 407 A HA 0.515 4.835 4.320 -0.000 0.000 0.292 407 A C -0.085 177.511 177.584 0.019 0.000 1.112 407 A CA -0.664 51.381 52.037 0.013 0.000 0.707 407 A CB 0.917 19.968 19.000 0.085 0.000 1.302 407 A HN 0.842 nan 8.150 nan 0.000 0.409 408 N N -0.101 118.671 118.700 0.120 0.000 2.725 408 N HA -0.149 4.591 4.740 -0.000 0.000 0.251 408 N C -0.343 175.345 175.510 0.297 0.000 1.031 408 N CA 1.196 54.371 53.050 0.209 0.000 0.720 408 N CB -0.844 37.767 38.487 0.207 0.000 0.930 408 N HN 0.700 nan 8.380 nan 0.000 0.543 409 W N 0.739 122.092 121.300 0.089 0.000 2.158 409 W HA 0.321 4.980 4.660 -0.001 0.000 0.339 409 W C 0.014 176.719 176.519 0.311 0.000 1.294 409 W CA -0.051 57.392 57.345 0.163 0.000 1.231 409 W CB 0.370 29.910 29.460 0.133 0.000 1.143 409 W HN 0.344 nan 8.180 nan 0.000 0.571 410 W N 8.094 129.014 121.300 -0.633 0.000 3.296 410 W HA 0.298 4.957 4.660 -0.001 0.000 0.314 410 W C -1.707 174.425 176.519 -0.646 0.000 1.238 410 W CA -0.551 56.574 57.345 -0.366 0.000 1.193 410 W CB 0.976 30.364 29.460 -0.120 0.000 1.383 410 W HN 0.486 nan 8.180 nan 0.000 0.545 411 D N 2.913 122.597 120.400 -1.193 0.000 2.583 411 D HA 0.150 4.790 4.640 -0.000 0.000 0.248 411 D C -0.424 174.991 176.300 -1.475 0.000 1.209 411 D CA -0.592 52.701 54.000 -1.179 0.000 0.848 411 D CB 1.367 41.965 40.800 -0.337 0.000 1.431 411 D HN 0.467 nan 8.370 nan 0.000 0.436 412 N N -0.336 117.760 118.700 -1.007 0.000 2.276 412 N HA 0.131 4.871 4.740 -0.000 0.000 0.212 412 N C 1.324 176.733 175.510 -0.169 0.000 1.127 412 N CA 0.590 53.345 53.050 -0.491 0.000 0.834 412 N CB 0.272 38.653 38.487 -0.178 0.000 1.014 412 N HN 0.894 nan 8.380 nan 0.000 0.491 413 G N -1.054 107.647 108.800 -0.164 0.000 2.234 413 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 413 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 413 G C 0.492 175.379 174.900 -0.021 0.000 0.987 413 G CA 0.722 45.803 45.100 -0.032 0.000 0.625 413 G HN 0.657 nan 8.290 nan 0.000 0.532 414 S N -0.954 114.712 115.700 -0.057 0.000 3.465 414 S HA 0.406 4.876 4.470 -0.000 0.000 0.179 414 S C 0.808 175.307 174.600 -0.168 0.000 0.922 414 S CA 0.659 58.819 58.200 -0.066 0.000 1.168 414 S CB 0.268 63.516 63.200 0.080 0.000 1.229 414 S HN 0.226 nan 8.310 nan 0.000 0.867 415 N N 1.467 120.044 118.700 -0.205 0.000 2.351 415 N HA 0.313 5.052 4.740 -0.000 0.000 0.254 415 N C -1.210 174.170 175.510 -0.216 0.000 1.241 415 N CA 0.055 52.961 53.050 -0.241 0.000 0.883 415 N CB 1.145 39.470 38.487 -0.269 0.000 1.202 415 N HN 0.468 nan 8.380 nan 0.000 0.512 416 Q N 0.630 120.318 119.800 -0.187 0.000 2.312 416 Q HA 0.632 4.972 4.340 -0.000 0.000 0.263 416 Q C -0.998 174.906 176.000 -0.160 0.000 0.995 416 Q CA -0.503 55.255 55.803 -0.075 0.000 0.853 416 Q CB 3.225 31.997 28.738 0.058 0.000 1.300 416 Q HN -0.136 nan 8.270 nan 0.000 0.448 417 V N 0.787 120.687 119.914 -0.023 0.000 3.012 417 V HA 0.903 5.023 4.120 -0.000 0.000 0.307 417 V C -1.581 174.487 176.094 -0.043 0.000 1.166 417 V CA -0.470 61.704 62.300 -0.210 0.000 0.974 417 V CB 2.254 33.991 31.823 -0.143 0.000 1.040 417 V HN 0.869 nan 8.190 nan 0.000 0.428 418 A N 3.993 126.668 122.820 -0.241 0.000 2.594 418 A HA 1.052 5.372 4.320 -0.000 0.000 0.295 418 A C -1.508 175.897 177.584 -0.299 0.000 1.071 418 A CA -0.460 51.382 52.037 -0.324 0.000 0.685 418 A CB 1.902 20.765 19.000 -0.229 0.000 1.285 418 A HN 1.835 nan 8.150 nan 0.000 0.405 419 F N -1.222 118.345 119.950 -0.638 0.000 2.744 419 F HA 0.789 5.316 4.527 -0.001 0.000 0.311 419 F C -0.036 175.520 175.800 -0.407 0.000 1.144 419 F CA -0.293 57.502 58.000 -0.341 0.000 0.938 419 F CB 0.657 39.525 39.000 -0.219 0.000 1.292 419 F HN 1.076 nan 8.300 nan 0.000 0.444 420 G N 0.514 109.429 108.800 0.192 0.000 2.932 420 G HA2 0.742 4.701 3.960 -0.000 0.000 0.283 420 G HA3 0.742 4.701 3.960 -0.000 0.000 0.283 420 G C -1.483 173.578 174.900 0.269 0.000 1.336 420 G CA -1.301 43.973 45.100 0.290 0.000 1.056 420 G HN 0.600 nan 8.290 nan 0.000 0.522 421 R N -0.051 120.577 120.500 0.212 0.000 2.545 421 R HA 0.498 4.838 4.340 -0.000 0.000 0.289 421 R C 0.641 176.991 176.300 0.084 0.000 1.327 421 R CA 0.054 56.255 56.100 0.168 0.000 1.040 421 R CB 0.482 30.883 30.300 0.169 0.000 1.176 421 R HN 1.423 nan 8.270 nan 0.000 0.518 422 G N 3.336 112.186 108.800 0.083 0.000 2.574 422 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.282 422 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.282 422 G C 0.212 175.135 174.900 0.039 0.000 1.257 422 G CA 0.459 45.589 45.100 0.051 0.000 0.956 422 G HN 0.666 nan 8.290 nan 0.000 0.560 423 N N 0.662 119.374 118.700 0.019 0.000 2.376 423 N HA 0.205 4.944 4.740 -0.000 0.000 0.249 423 N C 1.256 176.767 175.510 0.002 0.000 1.140 423 N CA 0.191 53.246 53.050 0.009 0.000 0.870 423 N CB 0.485 38.977 38.487 0.008 0.000 1.124 423 N HN 0.698 nan 8.380 nan 0.000 0.505 424 R N -1.341 119.151 120.500 -0.013 0.000 2.469 424 R HA 0.326 4.666 4.340 -0.000 0.000 0.250 424 R C 0.157 176.395 176.300 -0.103 0.000 0.909 424 R CA 0.244 56.320 56.100 -0.041 0.000 1.050 424 R CB 1.147 31.403 30.300 -0.074 0.000 1.256 424 R HN 0.267 nan 8.270 nan 0.000 0.550 425 G N 0.312 109.046 108.800 -0.109 0.000 2.673 425 G HA2 0.508 4.468 3.960 -0.000 0.000 0.292 425 G HA3 0.508 4.468 3.960 -0.000 0.000 0.292 425 G C -2.076 172.955 174.900 0.218 0.000 1.450 425 G CA -0.399 44.606 45.100 -0.160 0.000 0.837 425 G HN 0.016 nan 8.290 nan 0.000 0.505 426 F N 0.714 120.772 119.950 0.180 0.000 2.650 426 F HA 0.778 5.305 4.527 -0.000 0.000 0.310 426 F C -1.478 174.289 175.800 -0.055 0.000 1.112 426 F CA -0.954 57.057 58.000 0.018 0.000 0.986 426 F CB 1.867 40.817 39.000 -0.083 0.000 1.285 426 F HN 0.545 nan 8.300 nan 0.000 0.440 427 I N 6.259 126.268 120.570 -0.934 0.000 2.647 427 I HA 0.760 4.930 4.170 -0.000 0.000 0.295 427 I C -1.984 173.416 176.117 -1.194 0.000 1.078 427 I CA -0.932 59.817 61.300 -0.919 0.000 1.048 427 I CB 1.961 39.382 38.000 -0.965 0.000 1.239 427 I HN 0.548 nan 8.210 nan 0.000 0.421 428 V N 7.362 126.721 119.914 -0.925 0.000 2.686 428 V HA 0.605 4.724 4.120 -0.000 0.000 0.306 428 V C -1.733 174.043 176.094 -0.531 0.000 1.065 428 V CA -0.272 61.615 62.300 -0.687 0.000 0.894 428 V CB 1.926 33.306 31.823 -0.739 0.000 1.004 428 V HN 0.597 nan 8.190 nan 0.000 0.424 429 F N 4.729 124.594 119.950 -0.142 0.000 2.520 429 F HA 0.594 5.121 4.527 -0.001 0.000 0.322 429 F C 0.154 175.917 175.800 -0.062 0.000 1.103 429 F CA -0.608 57.351 58.000 -0.068 0.000 0.926 429 F CB 2.003 40.921 39.000 -0.138 0.000 1.154 429 F HN 0.548 nan 8.300 nan 0.000 0.453 430 N N 1.918 120.699 118.700 0.134 0.000 2.626 430 N HA 0.181 4.921 4.740 -0.000 0.000 0.249 430 N C -0.680 174.802 175.510 -0.046 0.000 1.021 430 N CA -0.236 52.822 53.050 0.013 0.000 0.886 430 N CB 0.423 38.904 38.487 -0.010 0.000 1.149 430 N HN 0.524 nan 8.380 nan 0.000 0.517 431 N N 1.892 120.518 118.700 -0.124 0.000 2.273 431 N HA 0.137 4.877 4.740 -0.000 0.000 0.231 431 N C -0.902 174.451 175.510 -0.262 0.000 1.134 431 N CA -0.165 52.784 53.050 -0.168 0.000 0.856 431 N CB 0.245 38.614 38.487 -0.196 0.000 1.068 431 N HN 0.514 nan 8.380 nan 0.000 0.510 432 D N -0.478 119.682 120.400 -0.400 0.000 2.387 432 D HA 0.122 4.762 4.640 -0.000 0.000 0.251 432 D C -0.065 175.920 176.300 -0.525 0.000 1.141 432 D CA 0.009 53.577 54.000 -0.719 0.000 0.987 432 D CB 0.854 40.799 40.800 -1.425 0.000 1.116 432 D HN 0.112 nan 8.370 nan 0.000 0.491 433 D N 0.609 120.746 120.400 -0.438 0.000 2.395 433 D HA 0.133 4.773 4.640 -0.000 0.000 0.226 433 D C 0.066 176.506 176.300 0.233 0.000 1.146 433 D CA -0.081 53.915 54.000 -0.007 0.000 0.830 433 D CB 0.242 41.126 40.800 0.141 0.000 0.958 433 D HN 0.367 nan 8.370 nan 0.000 0.501 434 W N 0.437 121.755 121.300 0.030 0.000 3.165 434 W HA 0.419 5.078 4.660 -0.002 0.000 0.351 434 W C -0.034 176.512 176.519 0.046 0.000 1.164 434 W CA -1.204 56.162 57.345 0.035 0.000 1.074 434 W CB -0.026 29.454 29.460 0.034 0.000 1.499 434 W HN -0.300 nan 8.180 nan 0.000 0.600 435 Q N 1.093 121.049 119.800 0.260 0.000 2.169 435 Q HA 0.693 5.033 4.340 -0.000 0.000 0.234 435 Q C -1.493 174.589 176.000 0.137 0.000 0.980 435 Q CA -0.925 54.955 55.803 0.129 0.000 0.941 435 Q CB 2.289 31.104 28.738 0.128 0.000 1.199 435 Q HN 0.736 nan 8.270 nan 0.000 0.496 436 L N 1.214 122.497 121.223 0.100 0.000 2.333 436 L HA 0.579 4.918 4.340 -0.000 0.000 0.280 436 L C -1.253 175.682 176.870 0.109 0.000 1.004 436 L CA -0.334 54.580 54.840 0.123 0.000 0.820 436 L CB 1.938 44.055 42.059 0.096 0.000 1.247 436 L HN 0.814 nan 8.230 nan 0.000 0.416 437 S N 3.107 118.874 115.700 0.112 0.000 2.496 437 S HA 0.639 5.109 4.470 -0.000 0.000 0.221 437 S C -1.274 173.352 174.600 0.043 0.000 1.260 437 S CA -0.385 57.860 58.200 0.075 0.000 1.181 437 S CB 0.725 63.970 63.200 0.075 0.000 1.136 437 S HN 0.679 nan 8.310 nan 0.000 0.467 438 S N 2.212 117.902 115.700 -0.016 0.000 2.595 438 S HA 0.619 5.089 4.470 -0.000 0.000 0.281 438 S C -0.825 173.725 174.600 -0.083 0.000 1.117 438 S CA -0.853 57.282 58.200 -0.108 0.000 0.873 438 S CB 1.927 64.887 63.200 -0.400 0.000 1.108 438 S HN 0.550 nan 8.310 nan 0.000 0.477 439 T N 2.629 117.123 114.554 -0.101 0.000 2.749 439 T HA 0.573 4.923 4.350 -0.000 0.000 0.287 439 T C -0.929 173.690 174.700 -0.135 0.000 0.970 439 T CA -0.409 61.640 62.100 -0.085 0.000 0.980 439 T CB 0.291 69.117 68.868 -0.069 0.000 0.924 439 T HN 0.192 nan 8.240 nan 0.000 0.456 440 L N 3.105 124.275 121.223 -0.088 0.000 2.342 440 L HA 0.523 4.863 4.340 -0.000 0.000 0.271 440 L C -0.027 176.732 176.870 -0.185 0.000 1.008 440 L CA -0.966 53.770 54.840 -0.174 0.000 0.818 440 L CB 1.870 43.833 42.059 -0.159 0.000 1.296 440 L HN 0.540 nan 8.230 nan 0.000 0.427 441 Q N 0.351 120.045 119.800 -0.175 0.000 2.307 441 Q HA 0.242 4.582 4.340 -0.000 0.000 0.259 441 Q C 0.746 176.514 176.000 -0.387 0.000 0.998 441 Q CA 0.497 56.185 55.803 -0.192 0.000 0.923 441 Q CB 1.003 29.697 28.738 -0.074 0.000 1.196 441 Q HN 0.764 nan 8.270 nan 0.000 0.416 442 T N 0.387 114.610 114.554 -0.551 0.000 3.044 442 T HA 0.232 4.582 4.350 -0.000 0.000 0.255 442 T C 1.304 175.786 174.700 -0.364 0.000 1.073 442 T CA 0.483 62.033 62.100 -0.916 0.000 1.125 442 T CB -0.131 68.264 68.868 -0.788 0.000 0.908 442 T HN 1.017 nan 8.240 nan 0.000 0.480 443 G N 0.974 109.650 108.800 -0.205 0.000 2.162 443 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.260 443 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.260 443 G C -0.243 174.606 174.900 -0.084 0.000 0.976 443 G CA 0.261 45.308 45.100 -0.089 0.000 0.655 443 G HN 0.574 nan 8.290 nan 0.000 0.533 444 L N 0.841 121.981 121.223 -0.139 0.000 2.344 444 L HA 0.650 4.990 4.340 -0.000 0.000 0.272 444 L C -1.679 175.168 176.870 -0.038 0.000 1.035 444 L CA -2.322 52.459 54.840 -0.098 0.000 0.807 444 L CB 0.718 42.625 42.059 -0.253 0.000 1.237 444 L HN -0.148 nan 8.230 nan 0.000 0.442 445 P HA 0.111 nan 4.420 nan 0.000 0.267 445 P C -0.109 177.224 177.300 0.054 0.000 1.201 445 P CA -0.230 62.894 63.100 0.040 0.000 0.775 445 P CB 0.319 32.052 31.700 0.055 0.000 0.854 446 G N 0.820 109.601 108.800 -0.031 0.000 2.491 446 G HA2 0.476 4.436 3.960 -0.000 0.000 0.238 446 G HA3 0.476 4.436 3.960 -0.000 0.000 0.238 446 G C 0.118 174.961 174.900 -0.094 0.000 1.277 446 G CA 0.399 45.426 45.100 -0.120 0.000 0.851 446 G HN 0.801 nan 8.290 nan 0.000 0.573 447 G N -0.745 107.933 108.800 -0.203 0.000 2.356 447 G HA2 0.432 4.392 3.960 -0.000 0.000 0.300 447 G HA3 0.432 4.392 3.960 -0.000 0.000 0.300 447 G C -0.755 174.081 174.900 -0.106 0.000 1.331 447 G CA -0.519 44.489 45.100 -0.152 0.000 0.905 447 G HN 0.788 nan 8.290 nan 0.000 0.587 448 T N 1.009 115.523 114.554 -0.067 0.000 2.767 448 T HA 0.616 4.965 4.350 -0.000 0.000 0.288 448 T C -1.086 173.536 174.700 -0.129 0.000 0.963 448 T CA 0.213 62.332 62.100 0.031 0.000 1.019 448 T CB 0.637 69.543 68.868 0.063 0.000 0.923 448 T HN 0.366 nan 8.240 nan 0.000 0.468 449 Y N 0.642 120.915 120.300 -0.046 0.000 2.429 449 Y HA 0.409 4.959 4.550 -0.000 0.000 0.342 449 Y C 0.482 176.352 175.900 -0.050 0.000 1.004 449 Y CA -1.170 56.896 58.100 -0.056 0.000 1.075 449 Y CB 1.013 39.439 38.460 -0.057 0.000 1.214 449 Y HN 0.597 nan 8.280 nan 0.000 0.455 450 c N 2.246 120.888 118.600 0.069 0.000 2.514 450 c HA 0.163 4.733 4.570 -0.000 0.000 0.392 450 c C 0.378 174.481 174.090 0.022 0.000 1.294 450 c CA -0.718 55.622 56.329 0.019 0.000 1.957 450 c CB -0.504 41.991 42.510 -0.025 0.000 2.541 450 c HN 0.776 nan 8.230 nan 0.000 0.569 451 D N 1.473 121.880 120.400 0.012 0.000 2.348 451 D HA 0.196 4.836 4.640 -0.000 0.000 0.253 451 D C 0.907 177.186 176.300 -0.034 0.000 1.161 451 D CA -0.328 53.668 54.000 -0.007 0.000 0.876 451 D CB 1.000 41.787 40.800 -0.022 0.000 1.160 451 D HN 0.435 nan 8.370 nan 0.000 0.459 452 V N 2.358 122.258 119.914 -0.023 0.000 3.623 452 V HA 0.079 4.199 4.120 -0.000 0.000 0.271 452 V C 1.272 177.342 176.094 -0.040 0.000 1.248 452 V CA 0.149 62.448 62.300 -0.001 0.000 1.156 452 V CB -0.588 31.298 31.823 0.104 0.000 0.870 452 V HN 0.507 nan 8.190 nan 0.000 0.453 453 I N 1.989 122.475 120.570 -0.140 0.000 2.628 453 I HA 0.039 4.209 4.170 -0.000 0.000 0.255 453 I C 2.552 178.567 176.117 -0.171 0.000 1.119 453 I CA 1.813 62.965 61.300 -0.246 0.000 1.448 453 I CB -0.765 36.868 38.000 -0.612 0.000 1.133 453 I HN 0.583 nan 8.210 nan 0.000 0.438 454 S N -0.498 115.117 115.700 -0.141 0.000 2.524 454 S HA 0.426 4.896 4.470 -0.000 0.000 0.216 454 S C 0.962 175.528 174.600 -0.057 0.000 0.987 454 S CA 0.289 58.432 58.200 -0.095 0.000 0.909 454 S CB 0.294 63.442 63.200 -0.086 0.000 0.781 454 S HN 0.408 nan 8.310 nan 0.000 0.521 455 G N -0.181 108.591 108.800 -0.048 0.000 2.578 455 G HA2 0.525 4.485 3.960 -0.000 0.000 0.302 455 G HA3 0.525 4.485 3.960 -0.000 0.000 0.302 455 G C -2.372 172.512 174.900 -0.026 0.000 1.243 455 G CA -0.588 44.493 45.100 -0.031 0.000 0.843 455 G HN 0.161 nan 8.290 nan 0.000 0.486 456 D N -0.372 120.010 120.400 -0.030 0.000 2.596 456 D HA 0.358 4.998 4.640 -0.000 0.000 0.234 456 D C -0.980 175.292 176.300 -0.047 0.000 1.181 456 D CA -0.564 53.412 54.000 -0.040 0.000 0.856 456 D CB 2.870 43.645 40.800 -0.041 0.000 1.498 456 D HN 0.407 nan 8.370 nan 0.000 0.446 457 K N 1.046 121.409 120.400 -0.061 0.000 2.285 457 K HA 0.418 4.737 4.320 -0.000 0.000 0.286 457 K C -1.269 175.296 176.600 -0.058 0.000 1.072 457 K CA -0.365 55.887 56.287 -0.059 0.000 0.913 457 K CB 0.681 33.141 32.500 -0.066 0.000 1.067 457 K HN 0.076 nan 8.250 nan 0.000 0.479 458 V N 5.424 125.310 119.914 -0.046 0.000 2.376 458 V HA 0.386 4.506 4.120 -0.000 0.000 0.287 458 V C 0.858 176.930 176.094 -0.036 0.000 1.015 458 V CA 0.174 62.449 62.300 -0.041 0.000 0.834 458 V CB 0.442 32.246 31.823 -0.033 0.000 1.001 458 V HN 1.187 nan 8.190 nan 0.000 0.428 459 G N 5.638 114.416 108.800 -0.036 0.000 2.596 459 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.304 459 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.304 459 G C 0.472 175.350 174.900 -0.036 0.000 1.189 459 G CA 0.674 45.755 45.100 -0.031 0.000 0.986 459 G HN 1.152 nan 8.290 nan 0.000 0.548 460 N N 1.242 119.922 118.700 -0.033 0.000 2.453 460 N HA 0.438 5.178 4.740 -0.000 0.000 0.270 460 N C 0.143 175.630 175.510 -0.037 0.000 1.195 460 N CA 0.883 53.911 53.050 -0.037 0.000 0.902 460 N CB 0.202 38.669 38.487 -0.033 0.000 1.186 460 N HN 1.433 nan 8.380 nan 0.000 0.510 461 S N -1.482 114.196 115.700 -0.037 0.000 2.656 461 S HA 0.681 5.150 4.470 -0.000 0.000 0.273 461 S C -1.036 173.543 174.600 -0.035 0.000 1.168 461 S CA -0.806 57.374 58.200 -0.034 0.000 0.817 461 S CB 1.103 64.286 63.200 -0.028 0.000 1.146 461 S HN 0.192 nan 8.310 nan 0.000 0.475 462 c N 1.392 119.974 118.600 -0.030 0.000 2.493 462 c HA 0.735 5.304 4.570 -0.000 0.000 0.326 462 c C 2.034 176.109 174.090 -0.026 0.000 1.200 462 c CA -0.007 56.304 56.329 -0.029 0.000 1.739 462 c CB 1.093 43.589 42.510 -0.024 0.000 2.300 462 c HN 1.080 nan 8.230 nan 0.000 0.500 463 T N -1.096 113.442 114.554 -0.026 0.000 3.081 463 T HA 0.258 4.608 4.350 -0.000 0.000 0.255 463 T C 0.890 175.576 174.700 -0.024 0.000 1.113 463 T CA 0.846 62.932 62.100 -0.023 0.000 1.082 463 T CB 0.084 68.939 68.868 -0.021 0.000 0.939 463 T HN 0.894 nan 8.240 nan 0.000 0.506 464 G N 0.910 109.694 108.800 -0.026 0.000 3.286 464 G HA2 0.659 4.619 3.960 -0.000 0.000 0.166 464 G HA3 0.659 4.619 3.960 -0.000 0.000 0.166 464 G C -0.564 174.321 174.900 -0.024 0.000 1.155 464 G CA -1.195 43.888 45.100 -0.029 0.000 0.871 464 G HN 0.400 nan 8.290 nan 0.000 0.637 465 I N 0.914 121.469 120.570 -0.025 0.000 2.696 465 I HA 0.198 4.368 4.170 -0.000 0.000 0.284 465 I C 0.004 176.117 176.117 -0.006 0.000 1.129 465 I CA 0.355 61.645 61.300 -0.016 0.000 1.410 465 I CB 0.959 38.949 38.000 -0.015 0.000 1.399 465 I HN 0.139 nan 8.210 nan 0.000 0.579 466 K N 4.709 125.107 120.400 -0.003 0.000 2.323 466 K HA 0.573 4.893 4.320 -0.000 0.000 0.259 466 K C -1.305 175.303 176.600 0.012 0.000 0.947 466 K CA -0.648 55.646 56.287 0.012 0.000 0.819 466 K CB 2.316 34.820 32.500 0.007 0.000 1.109 466 K HN 0.270 nan 8.250 nan 0.000 0.429 467 V N 3.631 123.563 119.914 0.030 0.000 2.435 467 V HA 0.206 4.326 4.120 -0.000 0.000 0.290 467 V C -0.946 175.173 176.094 0.042 0.000 1.030 467 V CA -0.890 61.389 62.300 -0.035 0.000 0.881 467 V CB 0.885 32.666 31.823 -0.070 0.000 0.983 467 V HN 0.617 nan 8.190 nan 0.000 0.445 468 Y N 5.437 125.667 120.300 -0.116 0.000 2.326 468 Y HA 0.631 5.181 4.550 -0.001 0.000 0.337 468 Y C -0.175 175.667 175.900 -0.097 0.000 1.023 468 Y CA -0.718 57.342 58.100 -0.067 0.000 1.143 468 Y CB 1.690 40.099 38.460 -0.083 0.000 1.183 468 Y HN 0.505 nan 8.280 nan 0.000 0.485 469 V N 6.335 125.878 119.914 -0.618 0.000 2.483 469 V HA 0.701 4.821 4.120 -0.000 0.000 0.295 469 V C -0.275 175.309 176.094 -0.850 0.000 1.035 469 V CA -0.028 61.943 62.300 -0.549 0.000 0.896 469 V CB 1.146 32.780 31.823 -0.315 0.000 0.986 469 V HN 0.978 nan 8.190 nan 0.000 0.447 470 S N 4.066 119.453 115.700 -0.522 0.000 2.661 470 S HA 0.235 4.705 4.470 -0.000 0.000 0.265 470 S C 1.440 175.930 174.600 -0.182 0.000 1.225 470 S CA 0.073 58.094 58.200 -0.299 0.000 0.986 470 S CB 0.933 64.111 63.200 -0.037 0.000 1.008 470 S HN 1.712 nan 8.310 nan 0.000 0.565 471 S N 0.159 115.815 115.700 -0.072 0.000 2.442 471 S HA -0.153 4.317 4.470 -0.000 0.000 0.236 471 S C 0.967 175.538 174.600 -0.050 0.000 1.007 471 S CA 1.067 59.239 58.200 -0.048 0.000 0.965 471 S CB -0.823 62.372 63.200 -0.008 0.000 0.773 471 S HN 0.900 nan 8.310 nan 0.000 0.504 472 D N -0.173 120.193 120.400 -0.056 0.000 2.340 472 D HA 0.295 4.935 4.640 -0.000 0.000 0.217 472 D C 1.341 177.595 176.300 -0.076 0.000 1.081 472 D CA 0.485 54.454 54.000 -0.052 0.000 0.842 472 D CB -0.345 40.433 40.800 -0.037 0.000 0.934 472 D HN 0.526 nan 8.370 nan 0.000 0.511 473 G N 0.253 108.985 108.800 -0.112 0.000 2.194 473 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.236 473 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.236 473 G C 0.494 175.279 174.900 -0.191 0.000 0.987 473 G CA 0.358 45.369 45.100 -0.149 0.000 0.635 473 G HN 0.733 nan 8.290 nan 0.000 0.520 474 T N -1.122 113.334 114.554 -0.163 0.000 2.899 474 T HA 0.858 5.208 4.350 -0.000 0.000 0.284 474 T C 0.048 174.620 174.700 -0.213 0.000 1.004 474 T CA 0.492 62.490 62.100 -0.171 0.000 1.043 474 T CB 2.348 71.148 68.868 -0.113 0.000 1.013 474 T HN 1.893 nan 8.240 nan 0.000 0.518 475 A N 1.326 124.001 122.820 -0.241 0.000 2.520 475 A HA 0.644 4.963 4.320 -0.000 0.000 0.298 475 A C -0.789 176.543 177.584 -0.421 0.000 1.051 475 A CA -0.997 50.808 52.037 -0.387 0.000 0.690 475 A CB 1.903 20.524 19.000 -0.632 0.000 1.281 475 A HN 0.878 nan 8.150 nan 0.000 0.402 476 Q N 0.826 120.395 119.800 -0.385 0.000 2.243 476 Q HA 0.695 5.035 4.340 -0.000 0.000 0.252 476 Q C -1.855 173.887 176.000 -0.430 0.000 0.909 476 Q CA 0.291 55.938 55.803 -0.261 0.000 0.922 476 Q CB 0.377 29.035 28.738 -0.132 0.000 1.215 476 Q HN 0.462 nan 8.270 nan 0.000 0.427 477 F N 1.465 121.361 119.950 -0.091 0.000 2.520 477 F HA 0.581 5.108 4.527 -0.001 0.000 0.322 477 F C -0.311 175.457 175.800 -0.054 0.000 1.103 477 F CA -0.671 57.287 58.000 -0.071 0.000 0.926 477 F CB 2.541 41.491 39.000 -0.083 0.000 1.154 477 F HN 0.473 nan 8.300 nan 0.000 0.453 478 S N 4.090 119.865 115.700 0.124 0.000 2.605 478 S HA 0.761 5.231 4.470 -0.000 0.000 0.308 478 S C -0.876 173.772 174.600 0.080 0.000 1.113 478 S CA -0.557 57.692 58.200 0.082 0.000 1.049 478 S CB 1.188 64.413 63.200 0.042 0.000 1.001 478 S HN 0.432 nan 8.310 nan 0.000 0.480 479 I N 1.925 122.537 120.570 0.071 0.000 2.512 479 I HA 0.336 4.506 4.170 -0.000 0.000 0.287 479 I C 0.031 176.174 176.117 0.045 0.000 1.069 479 I CA -0.453 60.878 61.300 0.051 0.000 1.056 479 I CB 2.163 40.190 38.000 0.045 0.000 1.229 479 I HN 0.574 nan 8.210 nan 0.000 0.429 480 S N 4.142 119.864 115.700 0.038 0.000 2.580 480 S HA 0.120 4.589 4.470 -0.000 0.000 0.274 480 S C 1.286 175.902 174.600 0.027 0.000 1.329 480 S CA -0.509 57.714 58.200 0.038 0.000 1.036 480 S CB 0.628 63.848 63.200 0.035 0.000 0.919 480 S HN 0.784 nan 8.310 nan 0.000 0.515 481 N N 2.216 120.931 118.700 0.024 0.000 2.494 481 N HA -0.089 4.651 4.740 -0.000 0.000 0.182 481 N C 1.168 176.689 175.510 0.018 0.000 1.076 481 N CA 1.028 54.080 53.050 0.003 0.000 0.908 481 N CB -0.369 38.113 38.487 -0.008 0.000 0.967 481 N HN 0.545 nan 8.380 nan 0.000 0.449 482 S N -0.963 114.754 115.700 0.028 0.000 2.575 482 S HA 0.418 4.888 4.470 -0.000 0.000 0.215 482 S C 0.988 175.602 174.600 0.023 0.000 0.966 482 S CA -0.281 57.935 58.200 0.026 0.000 0.911 482 S CB -0.130 63.087 63.200 0.028 0.000 0.780 482 S HN 0.499 nan 8.310 nan 0.000 0.514 483 A N 2.993 125.827 122.820 0.023 0.000 2.547 483 A HA 0.239 4.558 4.320 -0.000 0.000 0.233 483 A C 1.755 179.351 177.584 0.021 0.000 1.067 483 A CA 0.269 52.316 52.037 0.017 0.000 0.763 483 A CB 0.185 19.195 19.000 0.016 0.000 1.007 483 A HN 0.525 nan 8.150 nan 0.000 0.506 484 E N 1.336 121.539 120.200 0.006 0.000 2.049 484 E HA -0.180 4.169 4.350 -0.000 0.000 0.198 484 E C -0.479 176.137 176.600 0.026 0.000 1.007 484 E CA 1.900 58.302 56.400 0.003 0.000 0.809 484 E CB -0.340 29.348 29.700 -0.020 0.000 0.749 484 E HN 0.603 nan 8.360 nan 0.000 0.450 485 D N 1.419 121.829 120.400 0.017 0.000 2.473 485 D HA 0.190 4.830 4.640 -0.000 0.000 0.253 485 D C -2.282 174.060 176.300 0.070 0.000 1.233 485 D CA -1.610 52.427 54.000 0.062 0.000 0.908 485 D CB 2.036 42.775 40.800 -0.102 0.000 1.170 485 D HN 0.080 nan 8.370 nan 0.000 0.558 486 P HA 0.073 nan 4.420 nan 0.000 0.269 486 P C -0.754 176.708 177.300 0.270 0.000 1.601 486 P CA -0.048 63.159 63.100 0.178 0.000 0.831 486 P CB -0.797 30.986 31.700 0.137 0.000 1.688 487 F N -1.951 117.946 119.950 -0.088 0.000 2.678 487 F HA 0.632 5.158 4.527 -0.001 0.000 0.308 487 F C -1.643 174.005 175.800 -0.253 0.000 1.118 487 F CA -2.037 55.813 58.000 -0.251 0.000 0.959 487 F CB 0.659 39.404 39.000 -0.424 0.000 1.305 487 F HN -0.322 nan 8.300 nan 0.000 0.443 488 I N 1.895 122.291 120.570 -0.289 0.000 2.689 488 I HA 0.829 4.999 4.170 -0.000 0.000 0.299 488 I C -0.935 175.024 176.117 -0.263 0.000 1.059 488 I CA -1.221 59.929 61.300 -0.250 0.000 1.055 488 I CB 2.213 40.187 38.000 -0.043 0.000 1.243 488 I HN 1.042 nan 8.210 nan 0.000 0.425 489 A N 7.107 129.827 122.820 -0.167 0.000 2.408 489 A HA 0.868 5.187 4.320 -0.000 0.000 0.295 489 A C -1.003 176.651 177.584 0.117 0.000 1.040 489 A CA -0.444 51.545 52.037 -0.079 0.000 0.707 489 A CB 1.272 20.148 19.000 -0.206 0.000 1.235 489 A HN 0.670 nan 8.150 nan 0.000 0.418 490 I N 0.007 120.710 120.570 0.222 0.000 2.828 490 I HA 0.954 5.124 4.170 -0.000 0.000 0.302 490 I C -0.630 175.576 176.117 0.148 0.000 1.101 490 I CA -1.007 60.360 61.300 0.112 0.000 1.031 490 I CB 2.456 40.460 38.000 0.006 0.000 1.231 490 I HN 0.937 nan 8.210 nan 0.000 0.427 491 H N 2.263 121.424 119.070 0.153 0.000 2.990 491 H HA 0.717 5.273 4.556 -0.001 0.000 0.336 491 H C 0.303 175.744 175.328 0.188 0.000 1.306 491 H CA -0.400 55.656 56.048 0.013 0.000 1.118 491 H CB 1.138 30.781 29.762 -0.198 0.000 1.856 491 H HN 0.673 nan 8.280 nan 0.000 0.538 492 A N 0.270 123.270 122.820 0.301 0.000 1.958 492 A HA -0.228 4.092 4.320 -0.000 0.000 0.221 492 A C 1.445 179.184 177.584 0.258 0.000 1.178 492 A CA 2.059 54.264 52.037 0.280 0.000 0.642 492 A CB -0.863 18.225 19.000 0.147 0.000 0.816 492 A HN 0.810 nan 8.150 nan 0.000 0.453 493 E N -0.088 120.364 120.200 0.420 0.000 2.494 493 E HA 0.005 4.354 4.350 -0.000 0.000 0.193 493 E C 1.148 177.839 176.600 0.152 0.000 1.074 493 E CA 0.552 57.148 56.400 0.327 0.000 0.867 493 E CB -0.024 29.963 29.700 0.480 0.000 0.924 493 E HN 0.756 nan 8.360 nan 0.000 0.502 494 S N 0.133 115.807 115.700 -0.042 0.000 2.578 494 S HA 0.117 4.587 4.470 -0.000 0.000 0.231 494 S C 0.483 175.031 174.600 -0.087 0.000 0.994 494 S CA -0.528 57.599 58.200 -0.122 0.000 0.956 494 S CB 0.104 63.134 63.200 -0.284 0.000 0.870 494 S HN -0.021 nan 8.310 nan 0.000 0.494 495 K N 1.544 121.835 120.400 -0.183 0.000 2.412 495 K HA 0.241 4.561 4.320 -0.000 0.000 0.281 495 K C -0.249 176.179 176.600 -0.287 0.000 1.027 495 K CA -0.573 55.385 56.287 -0.549 0.000 0.989 495 K CB 0.262 32.350 32.500 -0.687 0.000 0.935 495 K HN 0.089 nan 8.250 nan 0.000 0.475 496 L N 0.000 121.059 121.223 -0.274 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.746 54.840 -0.157 0.000 0.813 496 L CB 0.000 41.992 42.059 -0.111 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502