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 1t1l_1_A DATA FIRST_RESID 1 DATA SEQUENCE AGFQLNEFSS SGLGRAYSGE GAIADDAGNV SRNPALITMF DRPTFSAGAV DATA SEQUENCE YIDPDVNISG TSPSGRSLKA DNIAPTAWVP NMHFVAPIND QFGWGASITS DATA SEQUENCE NYGLATEFND TYAGGSVGGT TDLETMNLNL SGAYRLNNAW SFGLGFNAVY DATA SEQUENCE ARAKIERFAG DLGQLVAGQI MQSPAGQTQQ GQALAATANG IDSNTKIAHL DATA SEQUENCE NGNQWGFGWN AGILYELDKN NRYALTYRSE VKIDFKGNYS SDLNRAFNNY DATA SEQUENCE GLPIPTATGG ATQSGYLTLN LPEMWEVSGY NRVDPQWAIH YSLAYTSWSQ DATA SEQUENCE FQQLKATSTS GDTLFQKHEG FKDAYRIALG TTYYYDDNWT FRTGIAFDDS DATA SEQUENCE PVPAQNRSIS IPDQDRFWLS AGTTYAFNKD ASVDVGVSYM HGQSVKINEG DATA SEQUENCE PYQFESEGKA WLFGTNFNYA F 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.606 177.584 0.037 0.000 1.274 1 A CA 0.000 52.114 52.037 0.128 0.000 0.836 1 A CB 0.000 19.188 19.000 0.313 0.000 0.831 2 G N -1.212 107.677 108.800 0.149 0.000 3.392 2 G HA2 0.458 4.418 3.960 -0.000 0.000 0.188 2 G HA3 0.458 4.418 3.960 -0.000 0.000 0.188 2 G C 0.287 175.162 174.900 -0.040 0.000 1.485 2 G CA 0.387 45.487 45.100 -0.001 0.000 0.943 2 G HN 0.250 nan 8.290 nan 0.000 0.627 3 F N 0.020 120.077 119.950 0.179 0.000 2.727 3 F HA 0.325 4.852 4.527 -0.000 0.000 0.302 3 F C 2.449 178.634 175.800 0.643 0.000 1.097 3 F CA 0.366 58.540 58.000 0.290 0.000 1.330 3 F CB 0.962 39.842 39.000 -0.200 0.000 1.084 3 F HN 0.205 nan 8.300 nan 0.000 0.578 4 Q N -1.318 118.803 119.800 0.535 0.000 2.519 4 Q HA 0.257 4.597 4.340 -0.000 0.000 0.248 4 Q C -0.462 175.622 176.000 0.140 0.000 0.804 4 Q CA 0.198 56.238 55.803 0.396 0.000 0.979 4 Q CB 1.296 30.228 28.738 0.323 0.000 1.282 4 Q HN -0.031 nan 8.270 nan 0.000 0.558 5 L N 2.668 123.917 121.223 0.043 0.000 2.356 5 L HA 0.400 4.740 4.340 -0.000 0.000 0.277 5 L C -0.610 176.156 176.870 -0.174 0.000 0.996 5 L CA -0.379 54.363 54.840 -0.163 0.000 0.822 5 L CB 1.326 43.181 42.059 -0.340 0.000 1.256 5 L HN 0.313 nan 8.230 nan 0.000 0.413 6 N N 3.494 122.051 118.700 -0.238 0.000 2.386 6 N HA 0.079 4.819 4.740 -0.000 0.000 0.291 6 N C -0.772 174.622 175.510 -0.194 0.000 1.309 6 N CA -0.231 52.717 53.050 -0.170 0.000 0.948 6 N CB 0.372 38.759 38.487 -0.167 0.000 1.083 6 N HN 0.401 nan 8.380 nan 0.000 0.527 7 E N -0.829 119.324 120.200 -0.080 0.000 2.683 7 E HA 0.220 4.569 4.350 -0.000 0.000 0.224 7 E C -0.863 175.735 176.600 -0.003 0.000 1.046 7 E CA -0.377 55.994 56.400 -0.048 0.000 0.811 7 E CB -0.066 29.655 29.700 0.036 0.000 1.296 7 E HN 0.569 nan 8.360 nan 0.000 0.421 8 F N -0.560 119.389 119.950 -0.001 0.000 2.695 8 F HA 0.516 5.042 4.527 -0.000 0.000 0.303 8 F C 0.397 176.351 175.800 0.257 0.000 1.091 8 F CA -0.534 57.532 58.000 0.109 0.000 1.300 8 F CB 0.701 39.731 39.000 0.049 0.000 1.071 8 F HN 0.176 nan 8.300 nan 0.000 0.578 9 S N -1.097 114.498 115.700 -0.176 0.000 2.597 9 S HA 0.363 4.833 4.470 -0.000 0.000 0.274 9 S C 0.092 174.667 174.600 -0.041 0.000 1.132 9 S CA -0.213 57.984 58.200 -0.004 0.000 0.835 9 S CB 1.059 64.281 63.200 0.037 0.000 1.092 9 S HN 0.030 nan 8.310 nan 0.000 0.457 10 S N 1.138 116.851 115.700 0.021 0.000 2.524 10 S HA 0.076 4.546 4.470 -0.000 0.000 0.216 10 S C 1.528 176.116 174.600 -0.020 0.000 0.987 10 S CA 0.575 58.784 58.200 0.015 0.000 0.909 10 S CB 0.047 63.285 63.200 0.064 0.000 0.781 10 S HN 0.575 nan 8.310 nan 0.000 0.521 11 S N 1.739 117.423 115.700 -0.026 0.000 2.362 11 S HA 0.024 4.494 4.470 -0.000 0.000 0.221 11 S C 2.262 176.782 174.600 -0.134 0.000 1.032 11 S CA 0.961 59.137 58.200 -0.039 0.000 0.973 11 S CB -0.876 62.323 63.200 -0.001 0.000 0.849 11 S HN 0.597 nan 8.310 nan 0.000 0.465 12 G N 1.975 110.659 108.800 -0.194 0.000 2.422 12 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 12 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 12 G C 1.339 175.615 174.900 -1.039 0.000 1.146 12 G CA 0.681 45.519 45.100 -0.437 0.000 0.769 12 G HN 0.394 nan 8.290 nan 0.000 0.547 13 L N 1.584 122.370 121.223 -0.729 0.000 2.353 13 L HA 0.151 4.491 4.340 -0.000 0.000 0.220 13 L C 2.477 179.204 176.870 -0.237 0.000 1.133 13 L CA 1.789 56.337 54.840 -0.487 0.000 0.798 13 L CB -0.445 41.557 42.059 -0.094 0.000 0.922 13 L HN 0.147 nan 8.230 nan 0.000 0.445 14 G N -0.798 107.889 108.800 -0.189 0.000 2.662 14 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.212 14 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.212 14 G C 1.275 176.154 174.900 -0.035 0.000 1.141 14 G CA 0.147 45.216 45.100 -0.051 0.000 0.797 14 G HN 0.540 nan 8.290 nan 0.000 0.531 15 R N -0.276 120.155 120.500 -0.114 0.000 2.552 15 R HA 0.607 4.946 4.340 -0.000 0.000 0.314 15 R C 0.959 177.231 176.300 -0.047 0.000 1.041 15 R CA 0.263 56.358 56.100 -0.008 0.000 1.076 15 R CB -0.063 30.273 30.300 0.060 0.000 1.290 15 R HN 0.261 nan 8.270 nan 0.000 0.563 16 A N 1.486 124.226 122.820 -0.134 0.000 2.704 16 A HA -0.286 4.034 4.320 -0.000 0.000 0.299 16 A C -0.197 177.239 177.584 -0.247 0.000 1.507 16 A CA 0.980 52.954 52.037 -0.105 0.000 0.776 16 A CB -2.513 16.568 19.000 0.136 0.000 1.027 16 A HN 0.723 nan 8.150 nan 0.000 0.475 17 Y N -1.792 118.413 120.300 -0.159 0.000 2.980 17 Y HA -0.228 4.321 4.550 -0.000 0.000 0.199 17 Y C 0.942 176.815 175.900 -0.045 0.000 1.319 17 Y CA 0.893 58.909 58.100 -0.141 0.000 0.877 17 Y CB -1.947 36.349 38.460 -0.273 0.000 1.259 17 Y HN 1.327 nan 8.280 nan 0.000 0.437 18 S N -0.523 115.251 115.700 0.123 0.000 2.462 18 S HA 0.637 5.107 4.470 -0.000 0.000 0.294 18 S C 1.002 175.719 174.600 0.196 0.000 1.144 18 S CA -0.324 57.984 58.200 0.181 0.000 1.088 18 S CB 1.936 65.289 63.200 0.255 0.000 1.009 18 S HN 1.454 nan 8.310 nan 0.000 0.484 19 G N 1.450 110.327 108.800 0.129 0.000 2.168 19 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.257 19 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.257 19 G C -0.078 174.862 174.900 0.066 0.000 0.997 19 G CA 0.147 45.280 45.100 0.055 0.000 0.708 19 G HN 0.781 nan 8.290 nan 0.000 0.520 20 E N -0.276 119.989 120.200 0.108 0.000 2.437 20 E HA 0.389 4.739 4.350 -0.000 0.000 0.263 20 E C 1.427 178.048 176.600 0.034 0.000 1.030 20 E CA 1.108 57.580 56.400 0.120 0.000 0.934 20 E CB 0.371 30.207 29.700 0.228 0.000 0.943 20 E HN 1.400 nan 8.360 nan 0.000 0.444 21 G N 1.091 109.883 108.800 -0.014 0.000 2.194 21 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.236 21 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.236 21 G C 0.711 175.597 174.900 -0.022 0.000 0.987 21 G CA 0.718 45.801 45.100 -0.029 0.000 0.635 21 G HN 0.727 nan 8.290 nan 0.000 0.520 22 A N -0.694 122.109 122.820 -0.028 0.000 1.937 22 A HA 0.717 5.037 4.320 -0.000 0.000 0.198 22 A C 1.009 178.509 177.584 -0.141 0.000 1.635 22 A CA 0.685 52.688 52.037 -0.056 0.000 1.111 22 A CB 0.274 19.254 19.000 -0.033 0.000 1.165 22 A HN 0.660 nan 8.150 nan 0.000 0.460 23 I N -0.052 120.463 120.570 -0.093 0.000 3.060 23 I HA 0.347 4.517 4.170 -0.000 0.000 0.285 23 I C 0.944 176.941 176.117 -0.201 0.000 1.190 23 I CA 0.617 61.779 61.300 -0.229 0.000 1.363 23 I CB 1.078 39.031 38.000 -0.079 0.000 1.396 23 I HN 0.278 nan 8.210 nan 0.000 0.607 24 A N 1.771 124.441 122.820 -0.250 0.000 2.446 24 A HA 0.121 4.440 4.320 -0.000 0.000 0.218 24 A C 0.830 178.338 177.584 -0.126 0.000 1.200 24 A CA -0.387 51.586 52.037 -0.106 0.000 1.259 24 A CB -0.294 18.600 19.000 -0.177 0.000 1.136 24 A HN 0.701 nan 8.150 nan 0.000 0.450 25 D N 1.612 121.948 120.400 -0.107 0.000 2.190 25 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 25 D C 0.636 176.951 176.300 0.024 0.000 0.992 25 D CA 2.199 56.163 54.000 -0.060 0.000 0.854 25 D CB 0.145 40.978 40.800 0.056 0.000 0.936 25 D HN 0.861 nan 8.370 nan 0.000 0.462 26 D N -2.240 118.231 120.400 0.119 0.000 2.566 26 D HA 0.473 5.112 4.640 -0.000 0.000 0.254 26 D C -0.865 175.541 176.300 0.177 0.000 1.090 26 D CA -1.006 53.090 54.000 0.161 0.000 1.034 26 D CB 1.038 41.876 40.800 0.064 0.000 1.434 26 D HN -0.119 nan 8.370 nan 0.000 0.509 27 A N -0.212 122.601 122.820 -0.013 0.000 3.026 27 A HA 0.540 4.860 4.320 -0.000 0.000 0.272 27 A C 0.769 178.202 177.584 -0.251 0.000 1.782 27 A CA 0.361 52.238 52.037 -0.267 0.000 1.451 27 A CB -1.375 17.480 19.000 -0.241 0.000 1.081 27 A HN 0.695 nan 8.150 nan 0.000 0.611 28 G N 0.014 108.649 108.800 -0.274 0.000 2.408 28 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.190 28 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.190 28 G C 0.859 175.554 174.900 -0.341 0.000 1.377 28 G CA 0.016 44.837 45.100 -0.465 0.000 0.690 28 G HN 0.511 nan 8.290 nan 0.000 1.014 29 N N 1.554 120.162 118.700 -0.153 0.000 2.512 29 N HA -0.036 4.704 4.740 -0.000 0.000 0.183 29 N C 2.481 177.833 175.510 -0.263 0.000 1.073 29 N CA 1.162 54.094 53.050 -0.197 0.000 0.911 29 N CB 0.089 38.552 38.487 -0.040 0.000 0.964 29 N HN 0.349 nan 8.380 nan 0.000 0.447 30 V N -0.925 118.832 119.914 -0.261 0.000 2.332 30 V HA -0.235 3.884 4.120 -0.000 0.000 0.248 30 V C 2.149 178.117 176.094 -0.210 0.000 1.055 30 V CA 2.047 64.220 62.300 -0.210 0.000 1.038 30 V CB -1.446 30.226 31.823 -0.251 0.000 0.651 30 V HN 0.344 nan 8.190 nan 0.000 0.450 31 S N 0.026 115.555 115.700 -0.285 0.000 2.469 31 S HA -0.109 4.360 4.470 -0.000 0.000 0.238 31 S C 1.958 176.327 174.600 -0.385 0.000 0.998 31 S CA 1.217 59.264 58.200 -0.255 0.000 0.957 31 S CB -0.407 62.677 63.200 -0.192 0.000 0.764 31 S HN 0.509 nan 8.310 nan 0.000 0.514 32 R N 1.586 121.792 120.500 -0.490 0.000 2.206 32 R HA 0.399 4.739 4.340 -0.000 0.000 0.198 32 R C -0.248 175.918 176.300 -0.224 0.000 0.986 32 R CA 0.319 56.144 56.100 -0.457 0.000 1.029 32 R CB -0.166 29.788 30.300 -0.576 0.000 0.966 32 R HN 0.513 nan 8.270 nan 0.000 0.487 33 N N -1.196 117.407 118.700 -0.162 0.000 2.578 33 N HA 0.193 4.933 4.740 -0.000 0.000 0.282 33 N C -2.616 172.871 175.510 -0.038 0.000 1.119 33 N CA -1.604 51.405 53.050 -0.069 0.000 0.948 33 N CB 1.914 40.376 38.487 -0.042 0.000 1.546 33 N HN -0.258 nan 8.380 nan 0.000 0.525 34 P HA -0.075 nan 4.420 nan 0.000 0.213 34 P C 0.998 178.333 177.300 0.059 0.000 1.170 34 P CA 1.889 65.014 63.100 0.042 0.000 0.898 34 P CB 0.141 31.897 31.700 0.092 0.000 0.787 35 A N -0.583 122.282 122.820 0.074 0.000 2.104 35 A HA -0.208 4.112 4.320 -0.000 0.000 0.223 35 A C 2.081 179.695 177.584 0.050 0.000 1.164 35 A CA 1.466 53.545 52.037 0.071 0.000 0.659 35 A CB -1.878 17.137 19.000 0.025 0.000 0.808 35 A HN 0.169 nan 8.150 nan 0.000 0.465 36 L N -0.655 120.590 121.223 0.037 0.000 2.549 36 L HA -0.102 4.238 4.340 -0.000 0.000 0.229 36 L C 2.100 179.061 176.870 0.152 0.000 1.158 36 L CA 0.273 55.149 54.840 0.061 0.000 0.842 36 L CB -0.399 41.688 42.059 0.048 0.000 0.952 36 L HN 0.440 nan 8.230 nan 0.000 0.452 37 I N 0.028 120.657 120.570 0.099 0.000 2.163 37 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 37 I C 2.293 178.511 176.117 0.168 0.000 1.085 37 I CA 1.926 63.286 61.300 0.100 0.000 1.347 37 I CB -0.499 37.538 38.000 0.062 0.000 1.044 37 I HN 0.401 nan 8.210 nan 0.000 0.408 38 T N -1.785 112.846 114.554 0.128 0.000 3.427 38 T HA -0.072 4.278 4.350 -0.000 0.000 0.256 38 T C 1.127 175.848 174.700 0.035 0.000 1.172 38 T CA 0.436 62.595 62.100 0.098 0.000 1.018 38 T CB -0.149 68.772 68.868 0.088 0.000 0.981 38 T HN 0.126 nan 8.240 nan 0.000 0.555 39 M N 0.187 119.824 119.600 0.062 0.000 2.333 39 M HA 0.485 4.965 4.480 -0.000 0.000 0.257 39 M C -1.021 175.037 176.300 -0.402 0.000 1.078 39 M CA -0.806 54.401 55.300 -0.155 0.000 1.005 39 M CB 0.212 32.701 32.600 -0.186 0.000 1.444 39 M HN 0.207 nan 8.290 nan 0.000 0.496 40 F N 0.166 120.054 119.950 -0.104 0.000 2.482 40 F HA 0.300 4.827 4.527 -0.000 0.000 0.331 40 F C 0.855 176.599 175.800 -0.093 0.000 1.115 40 F CA -1.261 56.669 58.000 -0.116 0.000 0.955 40 F CB 1.116 40.027 39.000 -0.147 0.000 1.136 40 F HN 0.111 nan 8.300 nan 0.000 0.452 41 D N 0.780 121.190 120.400 0.018 0.000 2.367 41 D HA 0.025 4.665 4.640 -0.000 0.000 0.207 41 D C 0.304 176.617 176.300 0.023 0.000 1.034 41 D CA 0.296 54.299 54.000 0.005 0.000 0.861 41 D CB 0.383 41.161 40.800 -0.037 0.000 0.943 41 D HN 0.460 nan 8.370 nan 0.000 0.515 42 R N -0.499 120.026 120.500 0.041 0.000 2.774 42 R HA 0.528 4.868 4.340 -0.000 0.000 0.272 42 R C -3.385 172.931 176.300 0.026 0.000 1.000 42 R CA -1.966 54.156 56.100 0.038 0.000 0.906 42 R CB -0.148 30.174 30.300 0.037 0.000 1.227 42 R HN -0.305 nan 8.270 nan 0.000 0.468 43 P HA 0.085 nan 4.420 nan 0.000 0.264 43 P C -0.947 176.422 177.300 0.114 0.000 1.183 43 P CA 0.550 63.658 63.100 0.013 0.000 0.763 43 P CB 0.526 32.372 31.700 0.242 0.000 0.807 44 T N 3.704 118.212 114.554 -0.078 0.000 3.335 44 T HA 0.445 4.795 4.350 -0.000 0.000 0.321 44 T C -0.571 174.130 174.700 0.001 0.000 0.960 44 T CA -0.415 61.639 62.100 -0.075 0.000 1.034 44 T CB 0.047 68.839 68.868 -0.127 0.000 1.040 44 T HN 0.201 nan 8.240 nan 0.000 0.454 45 F N 0.797 120.824 119.950 0.129 0.000 2.461 45 F HA 0.933 5.460 4.527 -0.000 0.000 0.332 45 F C 0.059 175.868 175.800 0.016 0.000 1.073 45 F CA -1.440 56.655 58.000 0.159 0.000 1.017 45 F CB 1.252 40.407 39.000 0.257 0.000 1.301 45 F HN 0.463 nan 8.300 nan 0.000 0.492 46 S N 0.636 116.667 115.700 0.551 0.000 2.582 46 S HA 0.713 5.183 4.470 -0.000 0.000 0.287 46 S C -1.369 173.449 174.600 0.363 0.000 1.146 46 S CA -0.034 58.371 58.200 0.343 0.000 0.941 46 S CB 0.459 63.794 63.200 0.225 0.000 1.115 46 S HN 1.414 nan 8.310 nan 0.000 0.458 47 A N 2.658 125.667 122.820 0.315 0.000 2.485 47 A HA 1.094 5.414 4.320 -0.000 0.000 0.292 47 A C 0.349 178.032 177.584 0.166 0.000 1.147 47 A CA -0.219 51.921 52.037 0.171 0.000 0.750 47 A CB 1.347 20.427 19.000 0.133 0.000 1.331 47 A HN 1.935 nan 8.150 nan 0.000 0.419 48 G N -1.787 107.055 108.800 0.070 0.000 2.327 48 G HA2 0.723 4.683 3.960 -0.000 0.000 0.291 48 G HA3 0.723 4.683 3.960 -0.000 0.000 0.291 48 G C -0.970 173.873 174.900 -0.095 0.000 1.290 48 G CA 0.338 45.454 45.100 0.027 0.000 0.857 48 G HN 2.229 nan 8.290 nan 0.000 0.520 49 A N -1.507 121.197 122.820 -0.194 0.000 2.587 49 A HA 0.899 5.219 4.320 -0.000 0.000 0.293 49 A C -1.444 175.962 177.584 -0.295 0.000 1.087 49 A CA -0.514 51.297 52.037 -0.377 0.000 0.692 49 A CB 1.991 20.443 19.000 -0.914 0.000 1.291 49 A HN 1.796 nan 8.150 nan 0.000 0.407 50 V N 1.389 121.152 119.914 -0.252 0.000 2.577 50 V HA 0.412 4.532 4.120 -0.000 0.000 0.303 50 V C -1.171 174.910 176.094 -0.023 0.000 1.042 50 V CA -0.459 61.795 62.300 -0.076 0.000 0.872 50 V CB 1.463 33.288 31.823 0.003 0.000 0.998 50 V HN 0.885 nan 8.190 nan 0.000 0.423 51 Y N 5.954 126.253 120.300 -0.002 0.000 2.334 51 Y HA 0.768 5.318 4.550 -0.000 0.000 0.328 51 Y C -0.410 175.602 175.900 0.187 0.000 1.130 51 Y CA -0.997 57.236 58.100 0.222 0.000 1.163 51 Y CB 1.300 40.035 38.460 0.458 0.000 1.207 51 Y HN 0.544 nan 8.280 nan 0.000 0.471 52 I N 5.594 125.829 120.570 -0.559 0.000 2.478 52 I HA 0.236 4.406 4.170 -0.000 0.000 0.287 52 I C -1.399 174.294 176.117 -0.707 0.000 1.042 52 I CA -0.770 60.235 61.300 -0.491 0.000 1.067 52 I CB 1.823 39.676 38.000 -0.244 0.000 1.233 52 I HN 0.530 nan 8.210 nan 0.000 0.431 53 D N 8.858 128.998 120.400 -0.433 0.000 2.438 53 D HA 0.440 5.080 4.640 -0.000 0.000 0.257 53 D C -2.657 173.601 176.300 -0.070 0.000 1.148 53 D CA -1.945 51.940 54.000 -0.191 0.000 0.902 53 D CB 1.571 42.431 40.800 0.100 0.000 1.062 53 D HN 0.099 nan 8.370 nan 0.000 0.518 54 P HA 0.364 nan 4.420 nan 0.000 0.282 54 P C -0.856 176.411 177.300 -0.056 0.000 1.287 54 P CA -0.502 62.531 63.100 -0.113 0.000 0.792 54 P CB 0.841 32.449 31.700 -0.153 0.000 1.163 55 D N 0.032 120.389 120.400 -0.071 0.000 2.411 55 D HA 0.252 4.891 4.640 -0.000 0.000 0.239 55 D C -1.750 174.515 176.300 -0.059 0.000 1.307 55 D CA -0.035 53.943 54.000 -0.036 0.000 0.930 55 D CB 0.645 41.457 40.800 0.019 0.000 1.395 55 D HN -0.095 nan 8.370 nan 0.000 0.536 56 V N 3.132 122.997 119.914 -0.081 0.000 2.448 56 V HA 0.559 4.679 4.120 -0.000 0.000 0.295 56 V C -0.123 175.926 176.094 -0.075 0.000 1.025 56 V CA -0.782 61.467 62.300 -0.085 0.000 0.859 56 V CB 1.769 33.518 31.823 -0.123 0.000 0.988 56 V HN 0.329 nan 8.190 nan 0.000 0.431 57 N N 4.553 123.236 118.700 -0.029 0.000 2.238 57 N HA 0.711 5.451 4.740 -0.000 0.000 0.302 57 N C -1.380 174.161 175.510 0.051 0.000 1.072 57 N CA -0.857 52.194 53.050 0.002 0.000 0.792 57 N CB 2.363 40.866 38.487 0.026 0.000 1.425 57 N HN 0.388 nan 8.380 nan 0.000 0.478 58 I N 1.025 121.656 120.570 0.102 0.000 2.648 58 I HA 0.592 4.762 4.170 -0.000 0.000 0.304 58 I C 0.085 176.342 176.117 0.234 0.000 1.009 58 I CA -0.608 60.811 61.300 0.199 0.000 1.114 58 I CB 1.396 39.571 38.000 0.292 0.000 1.293 58 I HN 0.756 nan 8.210 nan 0.000 0.449 59 S N 1.704 117.565 115.700 0.269 0.000 2.547 59 S HA 0.952 5.422 4.470 -0.000 0.000 0.270 59 S C -0.533 174.171 174.600 0.174 0.000 1.150 59 S CA -0.254 58.069 58.200 0.206 0.000 0.850 59 S CB 2.385 65.665 63.200 0.133 0.000 1.118 59 S HN 1.462 nan 8.310 nan 0.000 0.461 60 G N 0.419 109.274 108.800 0.091 0.000 2.369 60 G HA2 0.422 4.382 3.960 -0.000 0.000 0.295 60 G HA3 0.422 4.382 3.960 -0.000 0.000 0.295 60 G C -1.329 173.543 174.900 -0.047 0.000 1.298 60 G CA -0.237 44.866 45.100 0.006 0.000 0.940 60 G HN 1.213 nan 8.290 nan 0.000 0.536 61 T N -0.009 114.495 114.554 -0.083 0.000 2.861 61 T HA 0.667 5.016 4.350 -0.000 0.000 0.287 61 T C 0.226 174.869 174.700 -0.096 0.000 1.003 61 T CA 0.072 62.123 62.100 -0.081 0.000 0.977 61 T CB 1.643 70.488 68.868 -0.039 0.000 0.996 61 T HN 1.101 nan 8.240 nan 0.000 0.448 62 S N 2.274 117.922 115.700 -0.087 0.000 2.576 62 S HA 0.223 4.693 4.470 -0.000 0.000 0.276 62 S C -1.470 173.145 174.600 0.025 0.000 1.339 62 S CA -1.436 56.777 58.200 0.021 0.000 1.039 62 S CB 0.516 63.720 63.200 0.006 0.000 0.902 62 S HN 0.369 nan 8.310 nan 0.000 0.516 63 P HA -0.102 nan 4.420 nan 0.000 0.218 63 P C 1.369 178.669 177.300 -0.001 0.000 1.148 63 P CA 1.269 64.362 63.100 -0.012 0.000 0.822 63 P CB -0.087 31.581 31.700 -0.053 0.000 0.784 64 S N -1.637 114.077 115.700 0.023 0.000 2.595 64 S HA 0.083 4.553 4.470 -0.000 0.000 0.235 64 S C 1.786 176.386 174.600 0.000 0.000 0.974 64 S CA 0.865 59.075 58.200 0.015 0.000 0.942 64 S CB -1.594 61.627 63.200 0.035 0.000 0.766 64 S HN 0.327 nan 8.310 nan 0.000 0.536 65 G N 0.991 109.788 108.800 -0.006 0.000 2.304 65 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.252 65 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.252 65 G C 0.362 175.249 174.900 -0.022 0.000 1.014 65 G CA 0.233 45.325 45.100 -0.013 0.000 0.619 65 G HN 0.635 nan 8.290 nan 0.000 0.525 66 R N 0.829 121.310 120.500 -0.032 0.000 2.707 66 R HA 0.499 4.839 4.340 -0.000 0.000 0.270 66 R C 0.878 177.134 176.300 -0.073 0.000 1.083 66 R CA 0.530 56.600 56.100 -0.050 0.000 1.182 66 R CB 0.570 30.830 30.300 -0.066 0.000 1.084 66 R HN 0.281 nan 8.270 nan 0.000 0.528 67 S N 1.007 116.671 115.700 -0.060 0.000 2.548 67 S HA 0.125 4.595 4.470 -0.000 0.000 0.277 67 S C 0.723 175.266 174.600 -0.095 0.000 1.315 67 S CA -0.554 57.619 58.200 -0.045 0.000 1.050 67 S CB 0.388 63.594 63.200 0.011 0.000 0.918 67 S HN 0.483 nan 8.310 nan 0.000 0.497 68 L N 3.853 125.032 121.223 -0.074 0.000 2.741 68 L HA 0.313 4.653 4.340 -0.000 0.000 0.237 68 L C 1.058 178.132 176.870 0.341 0.000 1.178 68 L CA -0.115 54.693 54.840 -0.054 0.000 0.973 68 L CB -0.181 41.738 42.059 -0.234 0.000 1.255 68 L HN 0.611 nan 8.230 nan 0.000 0.498 69 K N 1.833 122.399 120.400 0.277 0.000 2.237 69 K HA 0.573 4.892 4.320 -0.000 0.000 0.270 69 K C -0.530 176.274 176.600 0.341 0.000 1.015 69 K CA -0.034 56.419 56.287 0.276 0.000 0.949 69 K CB 1.065 33.659 32.500 0.156 0.000 0.976 69 K HN 0.084 nan 8.250 nan 0.000 0.472 70 A N 3.969 126.914 122.820 0.209 0.000 2.511 70 A HA 0.250 4.570 4.320 -0.000 0.000 0.292 70 A C -1.869 175.725 177.584 0.016 0.000 1.045 70 A CA -0.996 51.089 52.037 0.079 0.000 0.870 70 A CB 0.845 19.822 19.000 -0.039 0.000 1.361 70 A HN 0.715 nan 8.150 nan 0.000 0.396 71 D N 1.461 121.855 120.400 -0.010 0.000 2.175 71 D HA 0.314 4.954 4.640 -0.000 0.000 0.248 71 D C 0.405 176.658 176.300 -0.078 0.000 1.047 71 D CA 0.206 54.190 54.000 -0.027 0.000 0.883 71 D CB 1.122 41.921 40.800 -0.002 0.000 1.180 71 D HN 0.735 nan 8.370 nan 0.000 0.438 72 N N 1.393 120.043 118.700 -0.083 0.000 2.641 72 N HA -0.194 4.546 4.740 -0.000 0.000 0.267 72 N C 0.830 176.227 175.510 -0.189 0.000 1.087 72 N CA -0.115 52.870 53.050 -0.108 0.000 0.731 72 N CB -0.611 37.835 38.487 -0.068 0.000 0.886 72 N HN 0.529 nan 8.380 nan 0.000 0.547 73 I N -2.117 118.286 120.570 -0.279 0.000 3.419 73 I HA 0.247 4.417 4.170 -0.000 0.000 0.286 73 I C 0.736 176.640 176.117 -0.354 0.000 1.268 73 I CA 0.298 61.317 61.300 -0.469 0.000 1.414 73 I CB 0.294 37.789 38.000 -0.841 0.000 1.074 73 I HN 0.264 nan 8.210 nan 0.000 0.457 74 A N 4.288 126.966 122.820 -0.237 0.000 2.280 74 A HA 0.612 4.932 4.320 -0.000 0.000 0.320 74 A C -2.174 175.327 177.584 -0.139 0.000 1.366 74 A CA -1.533 50.394 52.037 -0.183 0.000 0.938 74 A CB -0.213 18.687 19.000 -0.166 0.000 1.157 74 A HN 0.147 nan 8.150 nan 0.000 0.536 75 P HA 0.181 nan 4.420 nan 0.000 0.296 75 P C 0.191 177.445 177.300 -0.075 0.000 1.295 75 P CA 0.172 63.223 63.100 -0.081 0.000 0.754 75 P CB 0.307 31.968 31.700 -0.065 0.000 1.311 76 T N -4.034 110.497 114.554 -0.039 0.000 2.925 76 T HA 0.756 5.106 4.350 -0.000 0.000 0.285 76 T C -0.567 174.123 174.700 -0.017 0.000 1.021 76 T CA -0.758 61.299 62.100 -0.072 0.000 1.042 76 T CB 1.202 70.093 68.868 0.037 0.000 1.037 76 T HN 0.642 nan 8.240 nan 0.000 0.481 77 A N 1.159 123.940 122.820 -0.065 0.000 2.572 77 A HA 0.655 4.975 4.320 -0.000 0.000 0.295 77 A C -2.041 175.707 177.584 0.273 0.000 1.072 77 A CA -0.993 51.103 52.037 0.098 0.000 0.691 77 A CB 1.180 20.202 19.000 0.038 0.000 1.291 77 A HN 0.818 nan 8.150 nan 0.000 0.404 78 W N 1.213 122.590 121.300 0.129 0.000 2.573 78 W HA 0.631 5.291 4.660 -0.000 0.000 0.326 78 W C -1.035 175.545 176.519 0.101 0.000 1.049 78 W CA -0.506 56.949 57.345 0.183 0.000 1.220 78 W CB 2.061 31.632 29.460 0.185 0.000 1.373 78 W HN 0.469 nan 8.180 nan 0.000 0.507 79 V N 7.618 127.562 119.914 0.051 0.000 2.488 79 V HA 0.338 4.458 4.120 -0.000 0.000 0.293 79 V C -1.967 174.084 176.094 -0.073 0.000 1.027 79 V CA -1.853 60.457 62.300 0.017 0.000 0.862 79 V CB 1.772 33.606 31.823 0.020 0.000 1.008 79 V HN 0.346 nan 8.190 nan 0.000 0.428 80 P HA 0.343 nan 4.420 nan 0.000 0.276 80 P C -1.279 175.995 177.300 -0.045 0.000 1.252 80 P CA -0.309 62.752 63.100 -0.066 0.000 0.802 80 P CB 1.096 32.788 31.700 -0.015 0.000 1.035 81 N N 1.086 119.747 118.700 -0.065 0.000 2.452 81 N HA 0.299 5.039 4.740 -0.000 0.000 0.277 81 N C -1.450 173.924 175.510 -0.227 0.000 1.078 81 N CA -0.555 52.418 53.050 -0.127 0.000 0.947 81 N CB 1.461 39.928 38.487 -0.033 0.000 1.655 81 N HN 0.283 nan 8.380 nan 0.000 0.490 82 M N 2.451 121.835 119.600 -0.361 0.000 2.327 82 M HA 0.392 4.871 4.480 -0.000 0.000 0.298 82 M C -1.705 174.338 176.300 -0.430 0.000 1.065 82 M CA -0.081 55.051 55.300 -0.279 0.000 0.916 82 M CB 1.524 34.057 32.600 -0.111 0.000 1.630 82 M HN 0.725 nan 8.290 nan 0.000 0.442 83 H N 3.345 122.496 119.070 0.135 0.000 2.865 83 H HA 0.636 5.192 4.556 -0.000 0.000 0.372 83 H C -1.767 173.690 175.328 0.214 0.000 1.173 83 H CA -0.475 55.643 56.048 0.117 0.000 1.147 83 H CB 2.600 32.395 29.762 0.055 0.000 1.805 83 H HN 0.643 nan 8.280 nan 0.000 0.553 84 F N 1.323 121.304 119.950 0.051 0.000 2.605 84 F HA 0.427 4.954 4.527 -0.000 0.000 0.320 84 F C -1.922 173.709 175.800 -0.281 0.000 1.159 84 F CA -0.574 57.391 58.000 -0.059 0.000 0.999 84 F CB 1.070 40.022 39.000 -0.080 0.000 1.258 84 F HN 0.212 nan 8.300 nan 0.000 0.464 85 V N 4.398 123.747 119.914 -0.942 0.000 2.709 85 V HA 0.988 5.108 4.120 -0.000 0.000 0.308 85 V C -0.713 174.729 176.094 -1.088 0.000 1.062 85 V CA -0.518 61.186 62.300 -0.994 0.000 0.901 85 V CB 1.284 32.569 31.823 -0.896 0.000 1.003 85 V HN 1.150 nan 8.190 nan 0.000 0.425 86 A N 5.768 128.006 122.820 -0.971 0.000 2.566 86 A HA 0.961 5.281 4.320 -0.000 0.000 0.297 86 A C -3.193 174.213 177.584 -0.298 0.000 1.059 86 A CA -1.352 50.315 52.037 -0.617 0.000 0.691 86 A CB 2.298 20.877 19.000 -0.701 0.000 1.282 86 A HN 0.553 nan 8.150 nan 0.000 0.401 87 P HA 0.548 nan 4.420 nan 0.000 0.276 87 P C 0.167 177.541 177.300 0.124 0.000 1.261 87 P CA -0.213 62.911 63.100 0.041 0.000 0.800 87 P CB 1.219 32.948 31.700 0.049 0.000 1.066 88 I N -0.871 119.806 120.570 0.178 0.000 4.228 88 I HA 0.074 4.244 4.170 -0.000 0.000 0.298 88 I C 0.947 177.147 176.117 0.138 0.000 1.206 88 I CA 0.483 61.908 61.300 0.208 0.000 1.322 88 I CB 0.218 38.403 38.000 0.308 0.000 1.411 88 I HN 0.249 nan 8.210 nan 0.000 0.454 89 N N -0.539 118.229 118.700 0.114 0.000 2.719 89 N HA 0.120 4.859 4.740 -0.000 0.000 0.133 89 N C 0.259 175.786 175.510 0.027 0.000 1.637 89 N CA 0.089 53.157 53.050 0.030 0.000 1.184 89 N CB 0.339 38.776 38.487 -0.083 0.000 0.995 89 N HN -0.044 nan 8.380 nan 0.000 0.423 90 D N -1.074 119.334 120.400 0.013 0.000 2.489 90 D HA 0.061 4.701 4.640 -0.000 0.000 0.343 90 D C -0.129 176.205 176.300 0.058 0.000 1.295 90 D CA 0.346 54.361 54.000 0.025 0.000 0.908 90 D CB 0.632 41.432 40.800 0.000 0.000 1.382 90 D HN 0.536 nan 8.370 nan 0.000 0.468 91 Q N -0.933 118.911 119.800 0.074 0.000 2.181 91 Q HA 0.242 4.582 4.340 -0.000 0.000 0.244 91 Q C 0.155 176.467 176.000 0.519 0.000 0.745 91 Q CA -0.213 55.728 55.803 0.231 0.000 0.934 91 Q CB 1.124 29.914 28.738 0.086 0.000 1.220 91 Q HN 0.049 nan 8.270 nan 0.000 0.478 92 F N 1.252 121.313 119.950 0.184 0.000 2.469 92 F HA 0.774 5.300 4.527 -0.000 0.000 0.332 92 F C 0.312 176.200 175.800 0.147 0.000 1.103 92 F CA -1.145 56.946 58.000 0.152 0.000 0.979 92 F CB 2.330 41.375 39.000 0.076 0.000 1.137 92 F HN 0.059 nan 8.300 nan 0.000 0.463 93 G N 3.136 112.151 108.800 0.359 0.000 2.755 93 G HA2 0.405 4.364 3.960 -0.000 0.000 0.297 93 G HA3 0.405 4.364 3.960 -0.000 0.000 0.297 93 G C -2.093 172.955 174.900 0.246 0.000 1.441 93 G CA -0.729 44.516 45.100 0.242 0.000 0.964 93 G HN 0.729 nan 8.290 nan 0.000 0.540 94 W N 0.914 122.225 121.300 0.018 0.000 2.958 94 W HA 0.893 5.553 4.660 -0.000 0.000 0.339 94 W C -0.316 176.173 176.519 -0.050 0.000 1.174 94 W CA -1.425 55.922 57.345 0.003 0.000 1.064 94 W CB 1.552 31.027 29.460 0.025 0.000 1.471 94 W HN 1.370 nan 8.180 nan 0.000 0.599 95 G N -0.054 108.733 108.800 -0.021 0.000 2.691 95 G HA2 0.601 4.561 3.960 -0.000 0.000 0.298 95 G HA3 0.601 4.561 3.960 -0.000 0.000 0.298 95 G C -2.168 172.795 174.900 0.104 0.000 1.471 95 G CA -0.231 44.675 45.100 -0.322 0.000 0.912 95 G HN 0.814 nan 8.290 nan 0.000 0.553 96 A N 0.375 123.273 122.820 0.130 0.000 2.322 96 A HA 0.981 5.301 4.320 -0.000 0.000 0.327 96 A C 0.100 177.804 177.584 0.201 0.000 1.134 96 A CA -0.254 51.957 52.037 0.290 0.000 0.831 96 A CB 2.014 21.274 19.000 0.433 0.000 1.288 96 A HN 2.097 nan 8.150 nan 0.000 0.472 97 S N -0.400 115.409 115.700 0.181 0.000 2.556 97 S HA 0.576 5.046 4.470 -0.000 0.000 0.280 97 S C -1.777 172.874 174.600 0.086 0.000 1.141 97 S CA -0.507 57.782 58.200 0.149 0.000 0.883 97 S CB 0.547 63.890 63.200 0.239 0.000 1.103 97 S HN 0.682 nan 8.310 nan 0.000 0.453 98 I N 4.341 124.913 120.570 0.003 0.000 2.476 98 I HA 0.408 4.578 4.170 -0.000 0.000 0.281 98 I C 0.132 176.230 176.117 -0.031 0.000 1.040 98 I CA -0.371 60.932 61.300 0.005 0.000 1.094 98 I CB 1.777 39.781 38.000 0.007 0.000 1.219 98 I HN 0.797 nan 8.210 nan 0.000 0.450 99 T N 0.883 115.442 114.554 0.009 0.000 2.693 99 T HA 0.650 5.000 4.350 -0.000 0.000 0.278 99 T C 0.006 174.710 174.700 0.008 0.000 0.994 99 T CA -0.794 61.320 62.100 0.022 0.000 1.033 99 T CB 1.647 70.573 68.868 0.096 0.000 1.342 99 T HN 0.432 nan 8.240 nan 0.000 0.538 100 S N 0.144 115.845 115.700 0.002 0.000 2.690 100 S HA 0.692 5.162 4.470 -0.000 0.000 0.291 100 S C -0.391 174.165 174.600 -0.074 0.000 1.138 100 S CA -0.803 57.383 58.200 -0.023 0.000 1.013 100 S CB 0.970 64.162 63.200 -0.014 0.000 1.053 100 S HN 0.709 nan 8.310 nan 0.000 0.539 101 N N -0.968 117.682 118.700 -0.084 0.000 2.989 101 N HA 0.426 5.165 4.740 -0.000 0.000 0.338 101 N C -1.279 174.150 175.510 -0.135 0.000 1.369 101 N CA -0.828 52.128 53.050 -0.157 0.000 0.794 101 N CB 0.086 38.531 38.487 -0.069 0.000 1.359 101 N HN 0.675 nan 8.380 nan 0.000 0.609 102 Y N 0.021 120.305 120.300 -0.026 0.000 2.712 102 Y HA 0.350 4.900 4.550 -0.000 0.000 0.333 102 Y C 1.339 177.231 175.900 -0.013 0.000 1.225 102 Y CA 0.434 58.545 58.100 0.019 0.000 1.499 102 Y CB 0.011 38.523 38.460 0.087 0.000 1.288 102 Y HN 0.416 nan 8.280 nan 0.000 0.575 103 G N 2.772 111.634 108.800 0.103 0.000 2.655 103 G HA2 0.530 4.490 3.960 -0.000 0.000 0.296 103 G HA3 0.530 4.490 3.960 -0.000 0.000 0.296 103 G C -1.996 172.879 174.900 -0.042 0.000 1.485 103 G CA -1.048 44.067 45.100 0.025 0.000 0.869 103 G HN 0.798 nan 8.290 nan 0.000 0.540 104 L N -0.627 120.566 121.223 -0.051 0.000 2.409 104 L HA 1.010 5.350 4.340 -0.000 0.000 0.262 104 L C -0.495 176.338 176.870 -0.062 0.000 0.992 104 L CA -1.356 53.431 54.840 -0.089 0.000 0.817 104 L CB 2.451 44.444 42.059 -0.110 0.000 1.350 104 L HN 1.083 nan 8.230 nan 0.000 0.411 105 A N 1.454 124.226 122.820 -0.081 0.000 2.466 105 A HA 0.689 5.009 4.320 -0.000 0.000 0.291 105 A C -0.499 177.019 177.584 -0.111 0.000 1.234 105 A CA -0.335 51.657 52.037 -0.076 0.000 0.752 105 A CB 1.302 20.259 19.000 -0.071 0.000 1.153 105 A HN 0.700 nan 8.150 nan 0.000 0.458 106 T N 2.402 116.896 114.554 -0.101 0.000 2.792 106 T HA 0.524 4.874 4.350 -0.000 0.000 0.280 106 T C -0.780 173.810 174.700 -0.184 0.000 0.990 106 T CA -0.150 61.840 62.100 -0.184 0.000 0.960 106 T CB 0.605 69.414 68.868 -0.100 0.000 0.939 106 T HN 0.657 nan 8.240 nan 0.000 0.439 107 E N 3.584 123.580 120.200 -0.340 0.000 2.343 107 E HA 0.340 4.690 4.350 -0.000 0.000 0.260 107 E C -1.113 175.278 176.600 -0.349 0.000 0.908 107 E CA -0.474 55.796 56.400 -0.216 0.000 0.814 107 E CB 1.371 30.998 29.700 -0.122 0.000 1.302 107 E HN 0.407 nan 8.360 nan 0.000 0.408 108 F N 0.874 120.751 119.950 -0.122 0.000 2.411 108 F HA 0.262 4.788 4.527 -0.000 0.000 0.324 108 F C 1.207 176.910 175.800 -0.161 0.000 1.086 108 F CA -0.942 56.926 58.000 -0.219 0.000 1.028 108 F CB 0.673 39.469 39.000 -0.339 0.000 1.284 108 F HN 0.296 nan 8.300 nan 0.000 0.501 109 N N 1.835 120.570 118.700 0.058 0.000 2.420 109 N HA -0.038 4.702 4.740 -0.000 0.000 0.262 109 N C 0.540 175.996 175.510 -0.090 0.000 1.144 109 N CA -0.075 52.966 53.050 -0.014 0.000 0.952 109 N CB 0.707 39.204 38.487 0.016 0.000 1.081 109 N HN 0.671 nan 8.380 nan 0.000 0.480 110 D N 1.731 121.951 120.400 -0.299 0.000 2.311 110 D HA -0.223 4.417 4.640 -0.000 0.000 0.204 110 D C 0.927 176.947 176.300 -0.467 0.000 1.000 110 D CA 1.608 55.148 54.000 -0.768 0.000 0.910 110 D CB -0.505 39.791 40.800 -0.840 0.000 0.900 110 D HN 0.521 nan 8.370 nan 0.000 0.463 111 T N -3.658 110.783 114.554 -0.188 0.000 3.260 111 T HA 0.184 4.534 4.350 -0.000 0.000 0.254 111 T C -0.262 174.449 174.700 0.019 0.000 0.951 111 T CA -1.057 60.993 62.100 -0.083 0.000 0.918 111 T CB -1.015 67.820 68.868 -0.056 0.000 1.098 111 T HN 0.199 nan 8.240 nan 0.000 0.563 112 Y N 1.373 121.605 120.300 -0.113 0.000 2.334 112 Y HA 0.605 5.155 4.550 -0.000 0.000 0.328 112 Y C 1.046 176.890 175.900 -0.093 0.000 1.130 112 Y CA -1.652 56.404 58.100 -0.072 0.000 1.163 112 Y CB 1.278 39.709 38.460 -0.048 0.000 1.207 112 Y HN 0.201 nan 8.280 nan 0.000 0.471 113 A N 3.511 125.969 122.820 -0.603 0.000 2.264 113 A HA 0.127 4.447 4.320 -0.000 0.000 0.207 113 A C 1.499 178.602 177.584 -0.802 0.000 1.196 113 A CA 1.039 52.749 52.037 -0.546 0.000 0.778 113 A CB -1.169 17.572 19.000 -0.432 0.000 0.779 113 A HN 1.043 nan 8.150 nan 0.000 0.483 114 G N -1.683 106.454 108.800 -1.105 0.000 3.651 114 G HA2 0.359 4.319 3.960 -0.000 0.000 0.279 114 G HA3 0.359 4.319 3.960 -0.000 0.000 0.279 114 G C 1.111 175.952 174.900 -0.099 0.000 1.024 114 G CA 0.733 45.441 45.100 -0.652 0.000 0.813 114 G HN 0.496 nan 8.290 nan 0.000 0.518 115 G N 1.792 110.597 108.800 0.010 0.000 2.703 115 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.222 115 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.222 115 G C 2.016 177.014 174.900 0.163 0.000 1.183 115 G CA 1.683 46.898 45.100 0.192 0.000 0.775 115 G HN 0.389 nan 8.290 nan 0.000 0.615 116 S N -0.391 115.401 115.700 0.152 0.000 2.393 116 S HA -0.212 4.258 4.470 -0.000 0.000 0.234 116 S C 2.154 176.843 174.600 0.149 0.000 1.064 116 S CA 2.199 60.498 58.200 0.164 0.000 1.088 116 S CB -0.401 62.946 63.200 0.245 0.000 0.939 116 S HN 0.978 nan 8.310 nan 0.000 0.448 117 V N -2.682 117.315 119.914 0.138 0.000 3.176 117 V HA 0.704 4.824 4.120 -0.000 0.000 0.332 117 V C 0.296 176.358 176.094 -0.053 0.000 1.414 117 V CA 0.124 62.479 62.300 0.091 0.000 1.133 117 V CB 0.429 32.335 31.823 0.139 0.000 1.088 117 V HN 0.289 nan 8.190 nan 0.000 0.473 118 G N -1.115 107.613 108.800 -0.120 0.000 2.417 118 G HA2 0.619 4.579 3.960 -0.000 0.000 0.282 118 G HA3 0.619 4.579 3.960 -0.000 0.000 0.282 118 G C -0.107 174.741 174.900 -0.087 0.000 1.388 118 G CA 0.393 45.235 45.100 -0.430 0.000 1.276 118 G HN 0.580 nan 8.290 nan 0.000 0.602 119 G N 0.356 109.327 108.800 0.286 0.000 2.574 119 G HA2 0.537 4.497 3.960 -0.000 0.000 0.158 119 G HA3 0.537 4.497 3.960 -0.000 0.000 0.158 119 G C -0.261 174.896 174.900 0.427 0.000 1.494 119 G CA 0.273 45.655 45.100 0.471 0.000 0.742 119 G HN 0.881 nan 8.290 nan 0.000 0.718 120 T N 1.413 116.130 114.554 0.272 0.000 3.293 120 T HA 0.536 4.886 4.350 -0.000 0.000 0.320 120 T C -1.286 173.468 174.700 0.090 0.000 0.995 120 T CA -0.302 61.894 62.100 0.160 0.000 1.041 120 T CB 1.715 70.668 68.868 0.141 0.000 1.058 120 T HN 0.268 nan 8.240 nan 0.000 0.453 121 T N 2.502 117.099 114.554 0.071 0.000 3.150 121 T HA 0.411 4.761 4.350 -0.000 0.000 0.383 121 T C -0.998 173.712 174.700 0.018 0.000 1.313 121 T CA -0.878 61.254 62.100 0.053 0.000 1.235 121 T CB 0.457 69.380 68.868 0.092 0.000 1.088 121 T HN 0.362 nan 8.240 nan 0.000 0.556 122 D N 2.582 122.980 120.400 -0.003 0.000 2.308 122 D HA 0.536 5.175 4.640 -0.000 0.000 0.242 122 D C -0.740 175.546 176.300 -0.023 0.000 1.059 122 D CA -0.583 53.407 54.000 -0.018 0.000 0.830 122 D CB 2.356 43.142 40.800 -0.024 0.000 1.161 122 D HN 0.294 nan 8.370 nan 0.000 0.494 123 L N 1.866 123.081 121.223 -0.012 0.000 2.446 123 L HA 0.337 4.677 4.340 -0.000 0.000 0.268 123 L C -1.011 175.857 176.870 -0.003 0.000 0.975 123 L CA -0.279 54.562 54.840 0.001 0.000 0.848 123 L CB 1.603 43.678 42.059 0.028 0.000 1.225 123 L HN 0.319 nan 8.230 nan 0.000 0.410 124 E N 3.381 123.572 120.200 -0.014 0.000 2.220 124 E HA 0.577 4.927 4.350 -0.000 0.000 0.256 124 E C -1.391 175.191 176.600 -0.031 0.000 0.881 124 E CA -0.437 55.955 56.400 -0.014 0.000 0.766 124 E CB 1.204 30.898 29.700 -0.009 0.000 1.187 124 E HN 0.658 nan 8.360 nan 0.000 0.419 125 T N 1.848 116.388 114.554 -0.023 0.000 2.807 125 T HA 0.579 4.929 4.350 -0.000 0.000 0.279 125 T C -0.269 174.415 174.700 -0.026 0.000 0.993 125 T CA -0.903 61.170 62.100 -0.046 0.000 0.970 125 T CB 1.358 70.199 68.868 -0.045 0.000 0.950 125 T HN 0.330 nan 8.240 nan 0.000 0.441 126 M N 3.126 122.716 119.600 -0.017 0.000 2.268 126 M HA 0.431 4.910 4.480 -0.000 0.000 0.344 126 M C -0.432 175.861 176.300 -0.012 0.000 1.106 126 M CA -0.972 54.328 55.300 0.001 0.000 1.010 126 M CB 1.234 33.849 32.600 0.025 0.000 1.649 126 M HN 0.826 nan 8.290 nan 0.000 0.443 127 N N 3.957 122.656 118.700 -0.001 0.000 2.399 127 N HA 0.555 5.295 4.740 -0.000 0.000 0.280 127 N C -1.828 173.713 175.510 0.051 0.000 1.008 127 N CA -0.504 52.551 53.050 0.009 0.000 0.894 127 N CB 1.078 39.545 38.487 -0.034 0.000 1.273 127 N HN 0.608 nan 8.380 nan 0.000 0.486 128 L N 2.867 124.153 121.223 0.106 0.000 2.272 128 L HA 0.362 4.701 4.340 -0.000 0.000 0.289 128 L C -0.292 176.650 176.870 0.121 0.000 1.032 128 L CA -0.652 54.267 54.840 0.132 0.000 0.810 128 L CB 1.168 43.345 42.059 0.197 0.000 1.205 128 L HN 0.597 nan 8.230 nan 0.000 0.422 129 N N 4.040 122.812 118.700 0.120 0.000 2.407 129 N HA 0.530 5.270 4.740 -0.000 0.000 0.277 129 N C -1.539 174.083 175.510 0.187 0.000 0.995 129 N CA -0.440 52.685 53.050 0.126 0.000 0.903 129 N CB 1.244 39.776 38.487 0.075 0.000 1.218 129 N HN 0.508 nan 8.380 nan 0.000 0.487 130 L N 2.939 124.303 121.223 0.234 0.000 2.329 130 L HA 0.748 5.088 4.340 -0.000 0.000 0.279 130 L C -0.855 176.169 176.870 0.255 0.000 1.014 130 L CA -0.315 54.689 54.840 0.273 0.000 0.814 130 L CB 1.231 43.445 42.059 0.259 0.000 1.257 130 L HN 0.897 nan 8.230 nan 0.000 0.424 131 S N 2.247 118.108 115.700 0.269 0.000 2.578 131 S HA 0.829 5.299 4.470 -0.000 0.000 0.272 131 S C -0.766 173.977 174.600 0.238 0.000 1.145 131 S CA -0.312 58.018 58.200 0.216 0.000 0.835 131 S CB 1.457 64.755 63.200 0.163 0.000 1.104 131 S HN 0.861 nan 8.310 nan 0.000 0.458 132 G N -0.119 108.787 108.800 0.178 0.000 3.042 132 G HA2 0.989 4.949 3.960 -0.000 0.000 0.278 132 G HA3 0.989 4.949 3.960 -0.000 0.000 0.278 132 G C -0.882 174.107 174.900 0.149 0.000 1.371 132 G CA -0.662 44.544 45.100 0.176 0.000 1.009 132 G HN 1.749 nan 8.290 nan 0.000 0.523 133 A N -1.105 121.816 122.820 0.169 0.000 2.589 133 A HA 0.670 4.989 4.320 -0.000 0.000 0.296 133 A C -2.072 175.734 177.584 0.369 0.000 1.062 133 A CA -0.533 51.644 52.037 0.232 0.000 0.686 133 A CB 1.044 20.164 19.000 0.199 0.000 1.282 133 A HN 1.208 nan 8.150 nan 0.000 0.404 134 Y N 1.944 122.410 120.300 0.276 0.000 2.350 134 Y HA 0.651 5.201 4.550 -0.000 0.000 0.338 134 Y C 0.173 176.300 175.900 0.379 0.000 0.961 134 Y CA -0.903 57.439 58.100 0.404 0.000 1.100 134 Y CB 1.176 39.864 38.460 0.380 0.000 1.179 134 Y HN 0.824 nan 8.280 nan 0.000 0.454 135 R N 6.433 127.131 120.500 0.329 0.000 2.215 135 R HA 0.206 4.546 4.340 -0.000 0.000 0.336 135 R C -0.530 175.620 176.300 -0.250 0.000 0.996 135 R CA -0.417 55.712 56.100 0.049 0.000 0.847 135 R CB 0.850 31.215 30.300 0.108 0.000 1.127 135 R HN 0.869 nan 8.270 nan 0.000 0.465 136 L N 3.301 124.372 121.223 -0.254 0.000 2.027 136 L HA -0.064 4.276 4.340 -0.000 0.000 0.206 136 L C 0.906 177.762 176.870 -0.024 0.000 1.074 136 L CA 1.595 56.291 54.840 -0.240 0.000 0.745 136 L CB -0.661 41.405 42.059 0.012 0.000 0.898 136 L HN 0.804 nan 8.230 nan 0.000 0.433 137 N N -3.651 115.086 118.700 0.062 0.000 3.522 137 N HA 0.013 4.753 4.740 -0.000 0.000 0.328 137 N C -0.099 175.416 175.510 0.007 0.000 1.623 137 N CA -0.587 52.494 53.050 0.053 0.000 0.812 137 N CB -0.007 38.539 38.487 0.099 0.000 2.008 137 N HN -0.212 nan 8.380 nan 0.000 0.601 138 N N -0.563 118.124 118.700 -0.022 0.000 2.416 138 N HA 0.260 5.000 4.740 -0.000 0.000 0.215 138 N C -0.170 175.234 175.510 -0.176 0.000 1.208 138 N CA 0.506 53.508 53.050 -0.080 0.000 0.834 138 N CB -0.333 38.114 38.487 -0.067 0.000 1.072 138 N HN 0.594 nan 8.380 nan 0.000 0.472 139 A N -1.417 121.271 122.820 -0.220 0.000 1.998 139 A HA 0.193 4.512 4.320 -0.000 0.000 0.180 139 A C -0.577 176.589 177.584 -0.697 0.000 1.858 139 A CA -0.372 51.331 52.037 -0.556 0.000 1.403 139 A CB -0.064 18.526 19.000 -0.684 0.000 1.550 139 A HN 0.216 nan 8.150 nan 0.000 0.385 140 W N 1.382 122.615 121.300 -0.112 0.000 2.475 140 W HA 0.685 5.345 4.660 -0.000 0.000 0.317 140 W C -0.364 176.070 176.519 -0.143 0.000 1.046 140 W CA -0.213 57.073 57.345 -0.098 0.000 1.215 140 W CB 1.939 31.468 29.460 0.114 0.000 1.335 140 W HN 0.138 nan 8.180 nan 0.000 0.471 141 S N 2.703 118.326 115.700 -0.129 0.000 2.548 141 S HA 0.749 5.218 4.470 -0.000 0.000 0.286 141 S C -1.393 172.972 174.600 -0.392 0.000 1.098 141 S CA -0.828 57.319 58.200 -0.089 0.000 0.930 141 S CB 1.451 64.623 63.200 -0.046 0.000 1.070 141 S HN 0.207 nan 8.310 nan 0.000 0.480 142 F N 0.372 120.419 119.950 0.162 0.000 2.578 142 F HA 0.799 5.326 4.527 -0.000 0.000 0.311 142 F C 0.597 176.497 175.800 0.168 0.000 1.094 142 F CA -0.548 57.556 58.000 0.173 0.000 0.923 142 F CB 2.375 41.472 39.000 0.162 0.000 1.230 142 F HN 0.819 nan 8.300 nan 0.000 0.450 143 G N 1.405 110.380 108.800 0.291 0.000 2.612 143 G HA2 0.722 4.682 3.960 -0.000 0.000 0.298 143 G HA3 0.722 4.682 3.960 -0.000 0.000 0.298 143 G C -2.546 172.475 174.900 0.202 0.000 1.336 143 G CA -0.881 44.348 45.100 0.216 0.000 0.953 143 G HN 0.670 nan 8.290 nan 0.000 0.482 144 L N 0.682 122.007 121.223 0.170 0.000 2.493 144 L HA 0.888 5.228 4.340 -0.000 0.000 0.265 144 L C -0.165 176.807 176.870 0.169 0.000 0.954 144 L CA -0.257 54.685 54.840 0.169 0.000 0.844 144 L CB 1.849 43.984 42.059 0.127 0.000 1.302 144 L HN 1.036 nan 8.230 nan 0.000 0.405 145 G N 2.529 111.455 108.800 0.210 0.000 2.605 145 G HA2 0.650 4.610 3.960 -0.000 0.000 0.296 145 G HA3 0.650 4.610 3.960 -0.000 0.000 0.296 145 G C -2.141 172.961 174.900 0.336 0.000 1.304 145 G CA -0.581 44.657 45.100 0.230 0.000 0.941 145 G HN 0.561 nan 8.290 nan 0.000 0.475 146 F N 0.996 121.043 119.950 0.163 0.000 2.522 146 F HA 0.670 5.197 4.527 -0.000 0.000 0.324 146 F C -0.909 175.002 175.800 0.185 0.000 1.077 146 F CA -1.192 56.929 58.000 0.201 0.000 0.944 146 F CB 2.385 41.482 39.000 0.162 0.000 1.175 146 F HN 0.523 nan 8.300 nan 0.000 0.468 147 N N 3.306 121.763 118.700 -0.405 0.000 2.549 147 N HA 0.542 5.282 4.740 -0.000 0.000 0.290 147 N C -1.740 173.574 175.510 -0.327 0.000 1.122 147 N CA -0.743 52.178 53.050 -0.214 0.000 0.885 147 N CB 1.432 39.852 38.487 -0.111 0.000 1.455 147 N HN 0.675 nan 8.380 nan 0.000 0.521 148 A N 1.584 124.339 122.820 -0.110 0.000 2.289 148 A HA 0.603 4.923 4.320 -0.000 0.000 0.298 148 A C -0.340 177.253 177.584 0.015 0.000 1.208 148 A CA -0.620 51.303 52.037 -0.189 0.000 0.845 148 A CB 0.436 19.414 19.000 -0.037 0.000 1.125 148 A HN 0.533 nan 8.150 nan 0.000 0.517 149 V N 3.898 123.735 119.914 -0.128 0.000 2.383 149 V HA 0.171 4.291 4.120 -0.000 0.000 0.275 149 V C -0.466 175.520 176.094 -0.181 0.000 1.036 149 V CA -0.354 61.883 62.300 -0.105 0.000 0.889 149 V CB 0.657 32.387 31.823 -0.155 0.000 0.985 149 V HN 0.774 nan 8.190 nan 0.000 0.459 150 Y N 4.193 124.195 120.300 -0.498 0.000 2.308 150 Y HA 0.650 5.200 4.550 -0.000 0.000 0.329 150 Y C 0.230 175.876 175.900 -0.424 0.000 1.111 150 Y CA -1.043 56.555 58.100 -0.837 0.000 1.179 150 Y CB 1.381 39.219 38.460 -1.036 0.000 1.201 150 Y HN 0.667 nan 8.280 nan 0.000 0.483 151 A N 7.196 129.495 122.820 -0.868 0.000 2.375 151 A HA 0.592 4.912 4.320 -0.000 0.000 0.291 151 A C -1.049 176.334 177.584 -0.335 0.000 1.160 151 A CA -0.978 50.797 52.037 -0.437 0.000 0.747 151 A CB 0.657 19.499 19.000 -0.264 0.000 1.170 151 A HN 0.691 nan 8.150 nan 0.000 0.458 152 R N 1.732 122.063 120.500 -0.281 0.000 2.198 152 R HA 0.622 4.962 4.340 -0.000 0.000 0.339 152 R C -0.228 176.003 176.300 -0.116 0.000 1.020 152 R CA 0.072 56.053 56.100 -0.200 0.000 0.864 152 R CB 1.370 31.587 30.300 -0.138 0.000 1.105 152 R HN 0.795 nan 8.270 nan 0.000 0.463 153 A N 2.819 125.501 122.820 -0.230 0.000 2.384 153 A HA 0.753 5.073 4.320 -0.000 0.000 0.312 153 A C -0.727 176.676 177.584 -0.302 0.000 1.113 153 A CA -0.692 51.163 52.037 -0.302 0.000 0.779 153 A CB 1.982 20.653 19.000 -0.548 0.000 1.307 153 A HN 0.578 nan 8.150 nan 0.000 0.436 154 K N 1.227 121.503 120.400 -0.207 0.000 2.570 154 K HA 0.583 4.903 4.320 -0.000 0.000 0.256 154 K C -2.330 174.201 176.600 -0.115 0.000 0.939 154 K CA -0.369 55.818 56.287 -0.166 0.000 0.833 154 K CB 1.296 33.745 32.500 -0.084 0.000 1.318 154 K HN 0.672 nan 8.250 nan 0.000 0.433 155 I N 2.831 123.310 120.570 -0.152 0.000 2.619 155 I HA 0.366 4.536 4.170 -0.000 0.000 0.292 155 I C -1.086 174.926 176.117 -0.176 0.000 1.100 155 I CA -0.632 60.590 61.300 -0.130 0.000 1.043 155 I CB 2.464 40.381 38.000 -0.139 0.000 1.239 155 I HN 0.653 nan 8.210 nan 0.000 0.420 156 E N 5.397 125.512 120.200 -0.142 0.000 2.343 156 E HA 0.584 4.934 4.350 -0.000 0.000 0.278 156 E C -1.378 175.032 176.600 -0.317 0.000 0.910 156 E CA -1.039 55.211 56.400 -0.250 0.000 0.757 156 E CB 2.833 32.453 29.700 -0.134 0.000 1.218 156 E HN 0.304 nan 8.360 nan 0.000 0.435 157 R N 1.660 121.815 120.500 -0.574 0.000 2.740 157 R HA 0.591 4.931 4.340 -0.000 0.000 0.273 157 R C -1.203 174.690 176.300 -0.678 0.000 0.998 157 R CA -0.644 55.225 56.100 -0.385 0.000 0.900 157 R CB 1.094 31.253 30.300 -0.235 0.000 1.223 157 R HN 0.396 nan 8.270 nan 0.000 0.466 158 F N -0.582 119.356 119.950 -0.021 0.000 2.835 158 F HA 0.708 5.235 4.527 -0.000 0.000 0.373 158 F C 0.201 176.000 175.800 -0.002 0.000 1.209 158 F CA -1.104 56.885 58.000 -0.018 0.000 1.082 158 F CB 0.916 39.913 39.000 -0.004 0.000 1.472 158 F HN 0.513 nan 8.300 nan 0.000 0.519 159 A N 0.299 123.256 122.820 0.228 0.000 2.786 159 A HA 0.591 4.910 4.320 -0.000 0.000 0.346 159 A C 0.588 178.240 177.584 0.113 0.000 1.265 159 A CA -0.019 52.096 52.037 0.131 0.000 0.858 159 A CB -0.609 18.439 19.000 0.080 0.000 1.118 159 A HN 0.847 nan 8.150 nan 0.000 0.482 160 G N 1.558 110.412 108.800 0.089 0.000 2.800 160 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.190 160 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.190 160 G C 0.752 175.657 174.900 0.010 0.000 1.468 160 G CA 1.300 46.399 45.100 -0.001 0.000 0.840 160 G HN 0.713 nan 8.290 nan 0.000 0.588 161 D N -0.526 119.879 120.400 0.009 0.000 2.349 161 D HA 0.102 4.742 4.640 -0.000 0.000 0.214 161 D C 2.061 178.416 176.300 0.092 0.000 1.063 161 D CA -0.361 53.662 54.000 0.040 0.000 0.847 161 D CB 0.025 40.837 40.800 0.019 0.000 0.933 161 D HN 0.148 nan 8.370 nan 0.000 0.513 162 L N 1.405 122.712 121.223 0.140 0.000 2.010 162 L HA -0.190 4.150 4.340 -0.000 0.000 0.219 162 L C 2.190 179.111 176.870 0.085 0.000 1.077 162 L CA 2.531 57.451 54.840 0.133 0.000 0.773 162 L CB -1.318 40.828 42.059 0.145 0.000 0.892 162 L HN 0.355 nan 8.230 nan 0.000 0.436 163 G N -0.518 108.331 108.800 0.082 0.000 2.446 163 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 163 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 163 G C 1.236 176.170 174.900 0.056 0.000 1.168 163 G CA 0.734 45.881 45.100 0.077 0.000 0.771 163 G HN 0.642 nan 8.290 nan 0.000 0.551 164 Q N 0.204 120.031 119.800 0.045 0.000 2.436 164 Q HA 0.167 4.507 4.340 -0.000 0.000 0.209 164 Q C 2.434 178.448 176.000 0.024 0.000 0.965 164 Q CA 0.329 56.150 55.803 0.030 0.000 0.910 164 Q CB -0.323 28.429 28.738 0.023 0.000 0.980 164 Q HN 0.498 nan 8.270 nan 0.000 0.491 165 L N 0.191 121.432 121.223 0.030 0.000 2.049 165 L HA -0.093 4.247 4.340 -0.000 0.000 0.203 165 L C 2.319 179.191 176.870 0.004 0.000 1.074 165 L CA 0.539 55.387 54.840 0.013 0.000 0.749 165 L CB -0.149 41.916 42.059 0.011 0.000 0.907 165 L HN -0.003 nan 8.230 nan 0.000 0.439 166 V N 0.164 120.086 119.914 0.015 0.000 2.392 166 V HA -0.312 3.807 4.120 -0.000 0.000 0.249 166 V C 2.712 178.809 176.094 0.005 0.000 1.059 166 V CA 1.698 64.005 62.300 0.011 0.000 1.051 166 V CB -0.957 30.885 31.823 0.032 0.000 0.658 166 V HN 0.515 nan 8.190 nan 0.000 0.455 167 A N 0.444 123.271 122.820 0.011 0.000 1.978 167 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 167 A C 2.245 179.827 177.584 -0.003 0.000 1.170 167 A CA 1.920 53.959 52.037 0.004 0.000 0.636 167 A CB -0.844 18.162 19.000 0.010 0.000 0.810 167 A HN 0.579 nan 8.150 nan 0.000 0.448 168 G N -2.191 106.607 108.800 -0.003 0.000 3.042 168 G HA2 0.161 4.120 3.960 -0.000 0.000 0.212 168 G HA3 0.161 4.120 3.960 -0.000 0.000 0.212 168 G C 1.301 176.194 174.900 -0.012 0.000 1.166 168 G CA 0.655 45.750 45.100 -0.007 0.000 0.767 168 G HN 0.477 nan 8.290 nan 0.000 0.546 169 Q N -0.272 119.520 119.800 -0.013 0.000 2.398 169 Q HA 0.304 4.644 4.340 -0.000 0.000 0.204 169 Q C 2.145 178.135 176.000 -0.016 0.000 0.932 169 Q CA 0.477 56.270 55.803 -0.016 0.000 0.916 169 Q CB 0.012 28.740 28.738 -0.017 0.000 1.024 169 Q HN 0.561 nan 8.270 nan 0.000 0.504 170 I N -1.141 119.419 120.570 -0.016 0.000 2.556 170 I HA -0.102 4.068 4.170 -0.000 0.000 0.251 170 I C 1.360 177.467 176.117 -0.017 0.000 1.105 170 I CA 0.291 61.580 61.300 -0.019 0.000 1.436 170 I CB -0.072 37.914 38.000 -0.024 0.000 1.139 170 I HN 0.178 nan 8.210 nan 0.000 0.438 171 M N 0.217 119.808 119.600 -0.014 0.000 2.346 171 M HA -0.209 4.271 4.480 -0.000 0.000 0.263 171 M C 2.073 178.366 176.300 -0.012 0.000 1.064 171 M CA 1.565 56.858 55.300 -0.012 0.000 1.083 171 M CB -1.200 31.394 32.600 -0.010 0.000 1.399 171 M HN 0.340 nan 8.290 nan 0.000 0.435 172 Q N 0.017 119.810 119.800 -0.012 0.000 2.376 172 Q HA 0.009 4.349 4.340 -0.000 0.000 0.206 172 Q C 0.752 176.745 176.000 -0.012 0.000 0.921 172 Q CA 0.122 55.918 55.803 -0.012 0.000 0.911 172 Q CB 0.519 29.249 28.738 -0.013 0.000 1.032 172 Q HN 0.554 nan 8.270 nan 0.000 0.510 173 S N -0.069 115.623 115.700 -0.014 0.000 2.596 173 S HA 0.128 4.598 4.470 -0.000 0.000 0.260 173 S C -2.009 172.583 174.600 -0.013 0.000 1.336 173 S CA -1.062 57.130 58.200 -0.014 0.000 0.993 173 S CB 0.534 63.724 63.200 -0.017 0.000 0.923 173 S HN -0.026 nan 8.310 nan 0.000 0.567 174 P HA 0.209 nan 4.420 nan 0.000 0.221 174 P C 1.284 178.577 177.300 -0.013 0.000 1.155 174 P CA 1.208 64.301 63.100 -0.011 0.000 0.812 174 P CB -0.191 31.503 31.700 -0.009 0.000 0.801 175 A N -0.015 122.796 122.820 -0.016 0.000 2.172 175 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 175 A C 2.172 179.743 177.584 -0.021 0.000 1.154 175 A CA 1.473 53.498 52.037 -0.019 0.000 0.701 175 A CB -1.597 17.389 19.000 -0.025 0.000 0.789 175 A HN 0.272 nan 8.150 nan 0.000 0.465 176 G N -1.456 107.332 108.800 -0.019 0.000 2.744 176 G HA2 0.009 3.969 3.960 -0.000 0.000 0.211 176 G HA3 0.009 3.969 3.960 -0.000 0.000 0.211 176 G C 1.309 176.201 174.900 -0.015 0.000 1.143 176 G CA 0.806 45.895 45.100 -0.018 0.000 0.788 176 G HN 0.517 nan 8.290 nan 0.000 0.534 177 Q N 0.258 120.050 119.800 -0.013 0.000 2.425 177 Q HA 0.150 4.490 4.340 -0.000 0.000 0.204 177 Q C 0.516 176.509 176.000 -0.011 0.000 0.933 177 Q CA 0.340 56.136 55.803 -0.011 0.000 0.939 177 Q CB 0.181 28.913 28.738 -0.010 0.000 1.044 177 Q HN 0.262 nan 8.270 nan 0.000 0.513 178 T N 0.341 114.887 114.554 -0.014 0.000 2.895 178 T HA 0.168 4.518 4.350 -0.000 0.000 0.283 178 T C 0.422 175.112 174.700 -0.016 0.000 1.014 178 T CA -0.630 61.462 62.100 -0.014 0.000 1.037 178 T CB 1.656 70.515 68.868 -0.016 0.000 1.006 178 T HN -0.031 nan 8.240 nan 0.000 0.468 179 Q N 1.368 121.159 119.800 -0.014 0.000 2.029 179 Q HA -0.195 4.145 4.340 -0.000 0.000 0.209 179 Q C 2.290 178.277 176.000 -0.020 0.000 0.999 179 Q CA 2.045 57.839 55.803 -0.015 0.000 0.857 179 Q CB -0.291 28.440 28.738 -0.012 0.000 0.926 179 Q HN 0.586 nan 8.270 nan 0.000 0.415 180 Q N -1.195 118.591 119.800 -0.023 0.000 2.226 180 Q HA -0.018 4.322 4.340 -0.000 0.000 0.204 180 Q C 1.898 177.873 176.000 -0.040 0.000 0.975 180 Q CA 1.392 57.177 55.803 -0.031 0.000 0.866 180 Q CB -0.502 28.218 28.738 -0.030 0.000 0.915 180 Q HN 0.504 nan 8.270 nan 0.000 0.440 181 G N 0.958 109.738 108.800 -0.035 0.000 2.424 181 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.214 181 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.214 181 G C 1.194 176.072 174.900 -0.037 0.000 1.202 181 G CA 0.598 45.674 45.100 -0.039 0.000 0.793 181 G HN 0.448 nan 8.290 nan 0.000 0.534 182 Q N 0.399 120.182 119.800 -0.027 0.000 2.500 182 Q HA 0.241 4.581 4.340 -0.000 0.000 0.213 182 Q C 2.129 178.114 176.000 -0.024 0.000 0.974 182 Q CA 1.059 56.848 55.803 -0.023 0.000 0.918 182 Q CB -0.147 28.581 28.738 -0.017 0.000 0.980 182 Q HN 0.417 nan 8.270 nan 0.000 0.505 183 A N 1.068 123.871 122.820 -0.030 0.000 2.195 183 A HA 0.157 4.477 4.320 -0.000 0.000 0.210 183 A C 1.798 179.357 177.584 -0.042 0.000 1.165 183 A CA -0.095 51.924 52.037 -0.030 0.000 0.806 183 A CB -0.112 18.871 19.000 -0.028 0.000 0.847 183 A HN 0.397 nan 8.150 nan 0.000 0.482 184 L N -1.756 119.433 121.223 -0.056 0.000 2.529 184 L HA 0.267 4.607 4.340 -0.000 0.000 0.223 184 L C 2.164 178.995 176.870 -0.066 0.000 1.113 184 L CA 0.987 55.776 54.840 -0.083 0.000 0.861 184 L CB 0.017 42.010 42.059 -0.109 0.000 1.012 184 L HN 0.308 nan 8.230 nan 0.000 0.461 185 A N -0.160 122.635 122.820 -0.040 0.000 1.911 185 A HA 0.134 4.454 4.320 -0.000 0.000 0.212 185 A C 2.397 179.976 177.584 -0.009 0.000 1.189 185 A CA 0.960 52.983 52.037 -0.023 0.000 0.639 185 A CB -0.571 18.419 19.000 -0.018 0.000 0.839 185 A HN 0.457 nan 8.150 nan 0.000 0.449 186 A N -0.473 122.341 122.820 -0.010 0.000 1.883 186 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 186 A C 2.276 179.866 177.584 0.009 0.000 1.186 186 A CA 2.478 54.515 52.037 0.000 0.000 0.624 186 A CB -1.481 17.517 19.000 -0.003 0.000 0.822 186 A HN 0.397 nan 8.150 nan 0.000 0.444 187 T N 0.252 114.806 114.554 -0.000 0.000 2.653 187 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 187 T C 1.997 176.730 174.700 0.056 0.000 1.035 187 T CA 2.035 64.143 62.100 0.013 0.000 1.154 187 T CB -0.420 68.427 68.868 -0.034 0.000 0.862 187 T HN 0.642 nan 8.240 nan 0.000 0.441 188 A N 0.606 123.455 122.820 0.047 0.000 2.208 188 A HA 0.104 4.423 4.320 -0.000 0.000 0.209 188 A C 2.066 179.691 177.584 0.068 0.000 1.161 188 A CA 0.672 52.764 52.037 0.091 0.000 0.782 188 A CB -0.454 18.590 19.000 0.073 0.000 0.816 188 A HN 0.546 nan 8.150 nan 0.000 0.477 189 N N -0.254 118.472 118.700 0.043 0.000 2.395 189 N HA -0.060 4.680 4.740 -0.000 0.000 0.175 189 N C 1.832 177.363 175.510 0.036 0.000 1.029 189 N CA 0.746 53.816 53.050 0.033 0.000 0.897 189 N CB -0.030 38.469 38.487 0.019 0.000 0.991 189 N HN 0.423 nan 8.380 nan 0.000 0.441 190 G N 2.025 110.850 108.800 0.041 0.000 2.453 190 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.215 190 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.215 190 G C 0.778 175.704 174.900 0.044 0.000 1.201 190 G CA 0.026 45.150 45.100 0.039 0.000 0.784 190 G HN 0.253 nan 8.290 nan 0.000 0.545 191 I N 2.695 123.301 120.570 0.060 0.000 3.396 191 I HA -0.159 4.011 4.170 -0.000 0.000 0.356 191 I C 0.551 176.694 176.117 0.043 0.000 1.198 191 I CA 0.178 61.512 61.300 0.057 0.000 1.512 191 I CB -0.101 37.942 38.000 0.072 0.000 1.283 191 I HN 0.482 nan 8.210 nan 0.000 0.480 192 D N 4.242 124.664 120.400 0.037 0.000 2.411 192 D HA 0.186 4.826 4.640 -0.000 0.000 0.251 192 D C 0.810 177.131 176.300 0.035 0.000 1.201 192 D CA -0.599 53.418 54.000 0.028 0.000 0.996 192 D CB 0.891 41.703 40.800 0.020 0.000 1.101 192 D HN 0.387 nan 8.370 nan 0.000 0.504 193 S N -0.713 114.998 115.700 0.018 0.000 2.355 193 S HA -0.165 4.305 4.470 -0.000 0.000 0.222 193 S C 1.111 175.729 174.600 0.030 0.000 1.031 193 S CA 1.131 59.340 58.200 0.016 0.000 0.993 193 S CB -0.923 62.265 63.200 -0.021 0.000 0.859 193 S HN 0.777 nan 8.310 nan 0.000 0.453 194 N N 1.390 120.081 118.700 -0.015 0.000 2.623 194 N HA 0.048 4.788 4.740 -0.000 0.000 0.263 194 N C -0.907 174.745 175.510 0.237 0.000 1.218 194 N CA -0.114 52.903 53.050 -0.055 0.000 0.949 194 N CB 0.051 38.427 38.487 -0.186 0.000 1.270 194 N HN -0.005 nan 8.380 nan 0.000 0.507 195 T N 0.941 115.658 114.554 0.271 0.000 2.771 195 T HA 0.119 4.469 4.350 -0.000 0.000 0.291 195 T C 0.182 174.988 174.700 0.177 0.000 0.954 195 T CA -0.511 61.698 62.100 0.181 0.000 1.045 195 T CB 1.344 70.250 68.868 0.063 0.000 0.917 195 T HN 0.176 nan 8.240 nan 0.000 0.484 196 K N 3.403 123.804 120.400 0.002 0.000 2.402 196 K HA 0.141 4.461 4.320 -0.000 0.000 0.285 196 K C 1.426 177.852 176.600 -0.290 0.000 1.054 196 K CA -0.096 55.989 56.287 -0.336 0.000 1.001 196 K CB 0.325 32.637 32.500 -0.315 0.000 0.946 196 K HN 0.642 nan 8.250 nan 0.000 0.473 197 I N -0.341 120.028 120.570 -0.334 0.000 2.731 197 I HA 0.191 4.361 4.170 -0.000 0.000 0.260 197 I C 0.505 176.483 176.117 -0.232 0.000 1.138 197 I CA 0.084 61.254 61.300 -0.217 0.000 1.461 197 I CB 0.486 38.409 38.000 -0.129 0.000 1.128 197 I HN 0.273 nan 8.210 nan 0.000 0.438 198 A N 0.595 123.200 122.820 -0.358 0.000 2.455 198 A HA 0.718 5.038 4.320 -0.000 0.000 0.300 198 A C -1.595 175.746 177.584 -0.406 0.000 1.040 198 A CA -0.303 51.505 52.037 -0.380 0.000 0.697 198 A CB 0.739 19.413 19.000 -0.543 0.000 1.265 198 A HN 0.539 nan 8.150 nan 0.000 0.407 199 H N 1.732 120.510 119.070 -0.488 0.000 3.224 199 H HA 0.619 5.175 4.556 -0.000 0.000 0.331 199 H C -1.872 173.303 175.328 -0.256 0.000 1.002 199 H CA -0.494 55.327 56.048 -0.378 0.000 1.473 199 H CB 0.562 30.104 29.762 -0.367 0.000 1.830 199 H HN 0.657 nan 8.280 nan 0.000 0.485 200 L N 4.065 124.850 121.223 -0.729 0.000 2.422 200 L HA 0.620 4.960 4.340 -0.000 0.000 0.264 200 L C -0.943 175.618 176.870 -0.514 0.000 0.984 200 L CA -1.106 53.413 54.840 -0.534 0.000 0.819 200 L CB 2.354 44.312 42.059 -0.168 0.000 1.330 200 L HN 0.736 nan 8.230 nan 0.000 0.410 201 N N 1.078 119.515 118.700 -0.440 0.000 2.431 201 N HA 0.721 5.460 4.740 -0.000 0.000 0.275 201 N C -1.332 173.978 175.510 -0.335 0.000 1.091 201 N CA -0.223 52.610 53.050 -0.362 0.000 0.922 201 N CB 2.758 41.108 38.487 -0.228 0.000 1.666 201 N HN 0.861 nan 8.380 nan 0.000 0.484 202 G N 0.479 108.989 108.800 -0.484 0.000 2.708 202 G HA2 0.505 4.465 3.960 -0.000 0.000 0.289 202 G HA3 0.505 4.465 3.960 -0.000 0.000 0.289 202 G C -1.681 173.113 174.900 -0.177 0.000 1.416 202 G CA -0.716 44.192 45.100 -0.321 0.000 0.829 202 G HN 0.573 nan 8.290 nan 0.000 0.480 203 N N 0.659 119.472 118.700 0.188 0.000 2.732 203 N HA 0.305 5.044 4.740 -0.000 0.000 0.247 203 N C -1.191 174.350 175.510 0.051 0.000 1.305 203 N CA -0.333 52.799 53.050 0.137 0.000 0.762 203 N CB 2.069 40.538 38.487 -0.030 0.000 1.361 203 N HN 0.382 nan 8.380 nan 0.000 0.545 204 Q N -0.089 119.661 119.800 -0.083 0.000 2.496 204 Q HA 0.558 4.898 4.340 -0.000 0.000 0.286 204 Q C -1.010 174.818 176.000 -0.287 0.000 1.103 204 Q CA -0.410 55.307 55.803 -0.143 0.000 0.813 204 Q CB 1.768 30.453 28.738 -0.089 0.000 1.444 204 Q HN 0.307 nan 8.270 nan 0.000 0.443 205 W N -0.107 121.130 121.300 -0.105 0.000 2.313 205 W HA 0.662 5.322 4.660 -0.000 0.000 0.328 205 W C 0.643 176.938 176.519 -0.373 0.000 1.197 205 W CA -0.215 57.004 57.345 -0.210 0.000 1.235 205 W CB 0.958 30.285 29.460 -0.222 0.000 1.158 205 W HN 0.605 nan 8.180 nan 0.000 0.578 206 G N 1.291 109.945 108.800 -0.244 0.000 2.453 206 G HA2 0.762 4.722 3.960 -0.000 0.000 0.323 206 G HA3 0.762 4.722 3.960 -0.000 0.000 0.323 206 G C -2.155 172.424 174.900 -0.536 0.000 1.198 206 G CA -0.649 44.284 45.100 -0.279 0.000 0.959 206 G HN 0.241 nan 8.290 nan 0.000 0.482 207 F N 0.124 120.069 119.950 -0.009 0.000 2.547 207 F HA 0.752 5.279 4.527 -0.000 0.000 0.316 207 F C 0.606 176.310 175.800 -0.161 0.000 1.121 207 F CA -0.364 57.568 58.000 -0.113 0.000 0.911 207 F CB 2.755 41.803 39.000 0.080 0.000 1.179 207 F HN 0.828 nan 8.300 nan 0.000 0.443 208 G N 1.629 110.327 108.800 -0.170 0.000 2.663 208 G HA2 0.666 4.626 3.960 -0.000 0.000 0.299 208 G HA3 0.666 4.626 3.960 -0.000 0.000 0.299 208 G C -2.275 172.539 174.900 -0.143 0.000 1.372 208 G CA -0.791 44.195 45.100 -0.190 0.000 0.781 208 G HN 0.694 nan 8.290 nan 0.000 0.491 209 W N 0.409 121.657 121.300 -0.087 0.000 3.248 209 W HA 0.605 5.265 4.660 -0.000 0.000 0.311 209 W C -1.443 175.050 176.519 -0.043 0.000 1.258 209 W CA -1.047 56.287 57.345 -0.018 0.000 1.191 209 W CB 1.077 30.616 29.460 0.133 0.000 1.389 209 W HN 0.761 nan 8.180 nan 0.000 0.561 210 N N 1.252 120.105 118.700 0.254 0.000 2.312 210 N HA 0.754 5.494 4.740 -0.000 0.000 0.296 210 N C -1.673 174.027 175.510 0.316 0.000 1.193 210 N CA -0.647 52.467 53.050 0.107 0.000 0.773 210 N CB 2.291 40.718 38.487 -0.100 0.000 1.435 210 N HN 0.700 nan 8.380 nan 0.000 0.484 211 A N -0.338 122.646 122.820 0.272 0.000 2.393 211 A HA 0.842 5.162 4.320 -0.000 0.000 0.306 211 A C -0.377 177.314 177.584 0.179 0.000 1.050 211 A CA -0.493 51.707 52.037 0.271 0.000 0.724 211 A CB 1.434 20.642 19.000 0.347 0.000 1.248 211 A HN 0.887 nan 8.150 nan 0.000 0.424 212 G N 0.768 109.675 108.800 0.177 0.000 2.638 212 G HA2 0.620 4.579 3.960 -0.000 0.000 0.302 212 G HA3 0.620 4.579 3.960 -0.000 0.000 0.302 212 G C -1.053 173.932 174.900 0.141 0.000 1.365 212 G CA -0.404 44.779 45.100 0.137 0.000 0.987 212 G HN 0.669 nan 8.290 nan 0.000 0.495 213 I N 0.609 121.246 120.570 0.110 0.000 2.957 213 I HA 0.622 4.792 4.170 -0.000 0.000 0.310 213 I C -0.832 175.283 176.117 -0.005 0.000 1.063 213 I CA -0.990 60.302 61.300 -0.014 0.000 1.033 213 I CB 2.410 40.477 38.000 0.112 0.000 1.230 213 I HN 0.400 nan 8.210 nan 0.000 0.447 214 L N 3.512 124.682 121.223 -0.088 0.000 2.397 214 L HA 0.650 4.990 4.340 -0.000 0.000 0.251 214 L C -1.983 174.818 176.870 -0.116 0.000 1.064 214 L CA -0.641 54.166 54.840 -0.055 0.000 0.859 214 L CB 2.193 44.194 42.059 -0.096 0.000 1.468 214 L HN 0.491 nan 8.230 nan 0.000 0.411 215 Y N 0.564 120.675 120.300 -0.315 0.000 2.294 215 Y HA 0.439 4.989 4.550 -0.000 0.000 0.316 215 Y C -1.828 173.902 175.900 -0.283 0.000 1.265 215 Y CA -0.677 57.078 58.100 -0.576 0.000 1.149 215 Y CB 1.132 39.114 38.460 -0.797 0.000 1.293 215 Y HN 0.705 nan 8.280 nan 0.000 0.416 216 E N 6.466 126.240 120.200 -0.709 0.000 2.212 216 E HA 0.395 4.745 4.350 -0.000 0.000 0.268 216 E C -0.190 176.148 176.600 -0.437 0.000 0.902 216 E CA -0.866 55.313 56.400 -0.368 0.000 0.779 216 E CB 2.652 32.181 29.700 -0.284 0.000 1.172 216 E HN 0.761 nan 8.360 nan 0.000 0.409 217 L N 1.014 122.205 121.223 -0.054 0.000 2.313 217 L HA -0.025 4.315 4.340 -0.000 0.000 0.214 217 L C -0.010 176.824 176.870 -0.060 0.000 1.119 217 L CA 1.012 55.870 54.840 0.030 0.000 0.809 217 L CB -0.525 41.646 42.059 0.186 0.000 0.933 217 L HN 0.725 nan 8.230 nan 0.000 0.449 218 D N -5.004 115.344 120.400 -0.086 0.000 2.896 218 D HA -0.007 4.633 4.640 -0.000 0.000 0.326 218 D C -0.096 176.152 176.300 -0.087 0.000 1.348 218 D CA -0.726 53.223 54.000 -0.085 0.000 0.746 218 D CB 0.296 41.073 40.800 -0.038 0.000 1.307 218 D HN -0.435 nan 8.370 nan 0.000 0.447 219 K N -0.898 119.454 120.400 -0.082 0.000 2.585 219 K HA 0.166 4.486 4.320 -0.000 0.000 0.194 219 K C 0.569 177.131 176.600 -0.063 0.000 1.037 219 K CA 0.782 57.014 56.287 -0.092 0.000 0.964 219 K CB -0.523 31.923 32.500 -0.091 0.000 0.787 219 K HN 0.368 nan 8.250 nan 0.000 0.488 220 N N -0.399 118.292 118.700 -0.015 0.000 2.143 220 N HA 0.107 4.847 4.740 -0.000 0.000 0.222 220 N C -1.335 174.243 175.510 0.114 0.000 1.264 220 N CA -0.138 52.944 53.050 0.054 0.000 0.897 220 N CB 0.658 39.168 38.487 0.038 0.000 1.092 220 N HN -0.029 nan 8.380 nan 0.000 0.516 221 N N 0.694 119.432 118.700 0.064 0.000 2.478 221 N HA 0.348 5.088 4.740 -0.000 0.000 0.291 221 N C -1.298 174.194 175.510 -0.029 0.000 1.090 221 N CA -0.364 52.715 53.050 0.049 0.000 0.911 221 N CB 2.195 40.724 38.487 0.070 0.000 1.546 221 N HN 0.211 nan 8.380 nan 0.000 0.500 222 R N 0.226 120.619 120.500 -0.179 0.000 2.795 222 R HA 0.638 4.978 4.340 -0.000 0.000 0.268 222 R C -1.658 174.228 176.300 -0.690 0.000 1.041 222 R CA -0.757 55.196 56.100 -0.245 0.000 0.927 222 R CB 1.513 31.739 30.300 -0.123 0.000 1.235 222 R HN 0.339 nan 8.270 nan 0.000 0.463 223 Y N -1.042 119.308 120.300 0.084 0.000 2.544 223 Y HA 0.740 5.290 4.550 -0.000 0.000 0.342 223 Y C -0.756 175.169 175.900 0.041 0.000 1.062 223 Y CA -0.787 57.347 58.100 0.057 0.000 1.023 223 Y CB 2.901 41.398 38.460 0.063 0.000 1.308 223 Y HN 0.976 nan 8.280 nan 0.000 0.457 224 A N 2.662 125.587 122.820 0.176 0.000 2.435 224 A HA 0.851 5.171 4.320 -0.000 0.000 0.304 224 A C -2.078 175.606 177.584 0.167 0.000 1.064 224 A CA -0.771 51.347 52.037 0.134 0.000 0.727 224 A CB 1.699 20.739 19.000 0.068 0.000 1.284 224 A HN 0.796 nan 8.150 nan 0.000 0.415 225 L N 2.552 123.887 121.223 0.186 0.000 2.372 225 L HA 0.707 5.047 4.340 -0.000 0.000 0.273 225 L C -0.204 176.817 176.870 0.252 0.000 0.989 225 L CA -0.100 54.891 54.840 0.251 0.000 0.841 225 L CB 1.783 44.011 42.059 0.282 0.000 1.225 225 L HN 1.021 nan 8.230 nan 0.000 0.414 226 T N 1.119 115.821 114.554 0.247 0.000 2.901 226 T HA 0.561 4.911 4.350 -0.000 0.000 0.293 226 T C -1.359 173.377 174.700 0.061 0.000 1.084 226 T CA -0.544 61.642 62.100 0.143 0.000 1.008 226 T CB 2.081 70.979 68.868 0.049 0.000 1.170 226 T HN 0.453 nan 8.240 nan 0.000 0.509 227 Y N 0.637 120.743 120.300 -0.322 0.000 2.524 227 Y HA 0.754 5.304 4.550 -0.000 0.000 0.347 227 Y C -0.887 174.723 175.900 -0.484 0.000 1.005 227 Y CA -1.221 56.407 58.100 -0.786 0.000 1.025 227 Y CB 1.998 39.615 38.460 -1.406 0.000 1.275 227 Y HN 1.020 nan 8.280 nan 0.000 0.460 228 R N 3.558 123.163 120.500 -1.491 0.000 2.532 228 R HA 0.495 4.835 4.340 -0.000 0.000 0.297 228 R C -1.085 174.311 176.300 -1.507 0.000 0.984 228 R CA -0.604 54.828 56.100 -1.112 0.000 0.884 228 R CB 1.657 31.608 30.300 -0.581 0.000 1.182 228 R HN 0.811 nan 8.270 nan 0.000 0.442 229 S N 2.495 117.422 115.700 -1.289 0.000 2.593 229 S HA 0.071 4.541 4.470 -0.000 0.000 0.269 229 S C -0.210 174.027 174.600 -0.606 0.000 1.334 229 S CA -0.639 56.933 58.200 -1.046 0.000 1.015 229 S CB 0.665 62.998 63.200 -1.445 0.000 0.912 229 S HN 0.592 nan 8.310 nan 0.000 0.541 230 E N 2.595 122.548 120.200 -0.412 0.000 2.331 230 E HA 0.304 4.654 4.350 -0.000 0.000 0.272 230 E C -0.854 175.614 176.600 -0.220 0.000 1.036 230 E CA -0.716 55.515 56.400 -0.282 0.000 0.864 230 E CB 0.854 30.438 29.700 -0.193 0.000 1.035 230 E HN 0.294 nan 8.360 nan 0.000 0.408 231 V N 3.213 123.012 119.914 -0.190 0.000 2.370 231 V HA 0.207 4.327 4.120 -0.000 0.000 0.279 231 V C 0.258 176.290 176.094 -0.104 0.000 1.029 231 V CA -0.765 61.453 62.300 -0.137 0.000 0.870 231 V CB 0.893 32.629 31.823 -0.144 0.000 0.984 231 V HN 0.528 nan 8.190 nan 0.000 0.451 232 K N 5.615 125.985 120.400 -0.050 0.000 2.264 232 K HA 0.489 4.809 4.320 -0.000 0.000 0.277 232 K C -0.838 175.727 176.600 -0.059 0.000 1.067 232 K CA -0.492 55.777 56.287 -0.030 0.000 0.900 232 K CB 1.043 33.556 32.500 0.022 0.000 1.124 232 K HN 0.445 nan 8.250 nan 0.000 0.469 233 I N 3.602 124.098 120.570 -0.124 0.000 2.287 233 I HA 0.103 4.273 4.170 -0.000 0.000 0.290 233 I C -0.305 175.671 176.117 -0.234 0.000 1.069 233 I CA -0.433 60.699 61.300 -0.281 0.000 1.237 233 I CB 0.745 38.455 38.000 -0.484 0.000 1.418 233 I HN 0.434 nan 8.210 nan 0.000 0.481 234 D N 7.003 127.311 120.400 -0.152 0.000 2.456 234 D HA 0.255 4.895 4.640 -0.000 0.000 0.219 234 D C -0.152 176.120 176.300 -0.046 0.000 1.126 234 D CA -0.089 53.894 54.000 -0.028 0.000 0.890 234 D CB 0.354 41.193 40.800 0.064 0.000 1.025 234 D HN 0.176 nan 8.370 nan 0.000 0.511 235 F N 2.011 121.960 119.950 -0.001 0.000 2.506 235 F HA 0.076 4.602 4.527 -0.000 0.000 0.371 235 F C 1.225 176.918 175.800 -0.179 0.000 1.078 235 F CA -0.307 57.652 58.000 -0.067 0.000 1.195 235 F CB 0.816 39.778 39.000 -0.064 0.000 1.099 235 F HN -0.107 nan 8.300 nan 0.000 0.548 236 K N 3.924 124.357 120.400 0.056 0.000 2.419 236 K HA 0.464 4.784 4.320 -0.000 0.000 0.244 236 K C -0.173 176.347 176.600 -0.134 0.000 1.045 236 K CA -0.308 55.834 56.287 -0.241 0.000 1.004 236 K CB 0.676 33.087 32.500 -0.147 0.000 1.376 236 K HN 0.633 nan 8.250 nan 0.000 0.460 237 G N 2.290 110.976 108.800 -0.189 0.000 3.414 237 G HA2 0.366 4.325 3.960 -0.000 0.000 0.189 237 G HA3 0.366 4.325 3.960 -0.000 0.000 0.189 237 G C -0.979 173.870 174.900 -0.086 0.000 1.329 237 G CA -0.721 44.304 45.100 -0.126 0.000 0.851 237 G HN 0.698 nan 8.290 nan 0.000 0.671 238 N N -2.102 116.559 118.700 -0.065 0.000 2.504 238 N HA 0.382 5.122 4.740 -0.000 0.000 0.268 238 N C -2.225 173.303 175.510 0.030 0.000 1.184 238 N CA -0.687 52.369 53.050 0.011 0.000 0.875 238 N CB 2.488 40.989 38.487 0.024 0.000 1.630 238 N HN 0.443 nan 8.380 nan 0.000 0.486 239 Y N 0.910 121.192 120.300 -0.030 0.000 2.468 239 Y HA 0.639 5.189 4.550 -0.000 0.000 0.342 239 Y C -0.996 174.924 175.900 0.033 0.000 1.021 239 Y CA -0.006 58.075 58.100 -0.032 0.000 1.079 239 Y CB 2.038 40.501 38.460 0.005 0.000 1.226 239 Y HN 0.737 nan 8.280 nan 0.000 0.460 240 S N 1.889 117.182 115.700 -0.678 0.000 2.685 240 S HA 0.755 5.225 4.470 -0.000 0.000 0.282 240 S C -1.479 172.663 174.600 -0.764 0.000 1.159 240 S CA -0.979 56.953 58.200 -0.445 0.000 0.833 240 S CB 1.684 64.814 63.200 -0.116 0.000 1.151 240 S HN 0.638 nan 8.310 nan 0.000 0.485 241 S N 0.114 115.584 115.700 -0.383 0.000 2.546 241 S HA 0.269 4.739 4.470 -0.000 0.000 0.303 241 S C -1.478 173.019 174.600 -0.171 0.000 1.067 241 S CA -0.552 57.471 58.200 -0.294 0.000 0.944 241 S CB 0.762 63.842 63.200 -0.200 0.000 1.155 241 S HN 0.558 nan 8.310 nan 0.000 0.449 242 D N 2.953 123.257 120.400 -0.160 0.000 2.363 242 D HA 0.237 4.876 4.640 -0.000 0.000 0.226 242 D C 0.640 176.876 176.300 -0.106 0.000 1.020 242 D CA 0.456 54.392 54.000 -0.106 0.000 0.892 242 D CB 0.054 40.805 40.800 -0.083 0.000 0.900 242 D HN 0.529 nan 8.370 nan 0.000 0.531 243 L N 0.471 121.597 121.223 -0.161 0.000 2.453 243 L HA 0.134 4.474 4.340 -0.000 0.000 0.261 243 L C 0.911 177.702 176.870 -0.132 0.000 1.179 243 L CA -0.281 54.403 54.840 -0.260 0.000 0.813 243 L CB 0.569 42.357 42.059 -0.451 0.000 1.110 243 L HN -0.042 nan 8.230 nan 0.000 0.466 244 N N 0.870 119.533 118.700 -0.062 0.000 2.488 244 N HA 0.045 4.785 4.740 -0.000 0.000 0.274 244 N C 0.962 176.615 175.510 0.239 0.000 1.111 244 N CA -0.455 52.681 53.050 0.144 0.000 0.974 244 N CB 0.747 39.389 38.487 0.259 0.000 1.089 244 N HN 0.486 nan 8.380 nan 0.000 0.465 245 R N 2.983 123.584 120.500 0.168 0.000 2.332 245 R HA -0.202 4.138 4.340 -0.000 0.000 0.239 245 R C 1.369 177.813 176.300 0.240 0.000 1.160 245 R CA 1.581 57.786 56.100 0.176 0.000 1.020 245 R CB -0.181 30.192 30.300 0.122 0.000 0.859 245 R HN 0.699 nan 8.270 nan 0.000 0.478 246 A N -0.641 122.353 122.820 0.290 0.000 2.209 246 A HA -0.039 4.281 4.320 -0.000 0.000 0.212 246 A C 1.287 179.053 177.584 0.304 0.000 1.158 246 A CA 0.508 52.700 52.037 0.257 0.000 0.742 246 A CB -0.245 18.841 19.000 0.144 0.000 0.790 246 A HN 0.311 nan 8.150 nan 0.000 0.472 247 F N 0.464 120.503 119.950 0.148 0.000 2.416 247 F HA 0.073 4.600 4.527 -0.000 0.000 0.296 247 F C 1.052 177.035 175.800 0.304 0.000 1.099 247 F CA -0.277 57.818 58.000 0.158 0.000 1.427 247 F CB -0.726 38.332 39.000 0.097 0.000 1.079 247 F HN 0.188 nan 8.300 nan 0.000 0.536 248 N N 1.454 120.407 118.700 0.422 0.000 2.407 248 N HA -0.067 4.673 4.740 -0.000 0.000 0.250 248 N C -0.254 175.343 175.510 0.145 0.000 1.236 248 N CA 0.407 53.614 53.050 0.261 0.000 0.879 248 N CB -0.044 38.545 38.487 0.171 0.000 1.088 248 N HN 0.122 nan 8.380 nan 0.000 0.450 249 N N 0.277 119.003 118.700 0.044 0.000 2.815 249 N HA -0.189 4.551 4.740 -0.000 0.000 0.248 249 N C -1.107 174.197 175.510 -0.344 0.000 1.110 249 N CA 0.761 53.730 53.050 -0.136 0.000 0.699 249 N CB -1.555 36.813 38.487 -0.199 0.000 1.040 249 N HN 0.583 nan 8.380 nan 0.000 0.555 250 Y N -1.250 119.075 120.300 0.042 0.000 2.471 250 Y HA 0.407 4.957 4.550 -0.000 0.000 0.249 250 Y C 1.804 177.720 175.900 0.027 0.000 1.116 250 Y CA 0.327 58.443 58.100 0.026 0.000 1.240 250 Y CB 0.757 39.229 38.460 0.020 0.000 1.251 250 Y HN 0.229 nan 8.280 nan 0.000 0.527 251 G N 0.953 109.829 108.800 0.127 0.000 2.143 251 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.249 251 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.249 251 G C 0.069 175.030 174.900 0.102 0.000 0.981 251 G CA 0.023 45.175 45.100 0.086 0.000 0.665 251 G HN 0.218 nan 8.290 nan 0.000 0.528 252 L N 0.595 121.906 121.223 0.147 0.000 2.461 252 L HA 0.306 4.646 4.340 -0.000 0.000 0.272 252 L C -1.458 175.481 176.870 0.115 0.000 1.197 252 L CA -1.756 53.163 54.840 0.132 0.000 0.836 252 L CB 0.279 42.442 42.059 0.173 0.000 1.105 252 L HN -0.129 nan 8.230 nan 0.000 0.477 253 P HA -0.095 nan 4.420 nan 0.000 0.250 253 P C 0.021 177.390 177.300 0.115 0.000 1.161 253 P CA -0.004 63.148 63.100 0.087 0.000 0.863 253 P CB -0.118 31.631 31.700 0.081 0.000 0.827 254 I N 3.067 123.701 120.570 0.107 0.000 3.330 254 I HA 0.132 4.302 4.170 -0.000 0.000 0.299 254 I C -2.094 174.121 176.117 0.164 0.000 1.142 254 I CA -2.073 59.301 61.300 0.124 0.000 1.406 254 I CB -1.577 36.475 38.000 0.085 0.000 1.085 254 I HN 0.094 nan 8.210 nan 0.000 0.589 255 P HA 0.064 nan 4.420 nan 0.000 0.264 255 P C -0.008 177.432 177.300 0.233 0.000 1.236 255 P CA 0.278 63.534 63.100 0.260 0.000 0.811 255 P CB 0.146 31.948 31.700 0.170 0.000 0.840 256 T N 3.720 118.429 114.554 0.259 0.000 2.738 256 T HA 0.109 4.458 4.350 -0.000 0.000 0.277 256 T C 0.804 175.690 174.700 0.311 0.000 0.981 256 T CA 0.228 62.467 62.100 0.232 0.000 1.211 256 T CB -0.181 68.738 68.868 0.085 0.000 0.932 256 T HN 0.331 nan 8.240 nan 0.000 0.522 257 A N 3.984 126.901 122.820 0.163 0.000 2.451 257 A HA 0.424 4.744 4.320 -0.000 0.000 0.266 257 A C 1.397 179.051 177.584 0.117 0.000 1.119 257 A CA -0.228 51.855 52.037 0.077 0.000 0.786 257 A CB 0.055 19.066 19.000 0.019 0.000 1.061 257 A HN 0.915 nan 8.150 nan 0.000 0.503 258 T N -0.175 114.426 114.554 0.078 0.000 3.145 258 T HA 0.413 4.763 4.350 -0.000 0.000 0.281 258 T C 1.114 175.835 174.700 0.036 0.000 1.003 258 T CA 0.939 63.089 62.100 0.084 0.000 0.901 258 T CB -0.409 68.524 68.868 0.109 0.000 1.112 258 T HN 2.281 nan 8.240 nan 0.000 0.535 259 G N 0.950 109.756 108.800 0.011 0.000 2.341 259 G HA2 0.095 4.055 3.960 -0.000 0.000 0.292 259 G HA3 0.095 4.055 3.960 -0.000 0.000 0.292 259 G C 1.232 176.125 174.900 -0.011 0.000 1.021 259 G CA 0.568 45.670 45.100 0.004 0.000 0.905 259 G HN 1.876 nan 8.290 nan 0.000 0.508 260 G N -2.152 106.624 108.800 -0.039 0.000 2.176 260 G HA2 0.157 4.117 3.960 -0.000 0.000 0.253 260 G HA3 0.157 4.117 3.960 -0.000 0.000 0.253 260 G C 0.770 175.656 174.900 -0.024 0.000 0.979 260 G CA 1.164 46.236 45.100 -0.047 0.000 0.641 260 G HN 2.314 nan 8.290 nan 0.000 0.530 261 A N 0.567 123.387 122.820 0.000 0.000 2.409 261 A HA 0.642 4.961 4.320 -0.000 0.000 0.267 261 A C 0.659 178.264 177.584 0.034 0.000 1.127 261 A CA 0.943 52.995 52.037 0.024 0.000 0.795 261 A CB 0.383 19.409 19.000 0.044 0.000 1.061 261 A HN 0.650 nan 8.150 nan 0.000 0.502 262 T N 3.885 118.461 114.554 0.038 0.000 2.737 262 T HA 0.201 4.551 4.350 -0.000 0.000 0.296 262 T C 0.807 175.560 174.700 0.088 0.000 0.922 262 T CA 0.237 62.371 62.100 0.057 0.000 1.079 262 T CB 0.284 69.181 68.868 0.048 0.000 0.892 262 T HN 0.808 nan 8.240 nan 0.000 0.514 263 Q N 1.908 121.789 119.800 0.136 0.000 3.064 263 Q HA 0.481 4.821 4.340 -0.000 0.000 0.232 263 Q C -0.083 176.004 176.000 0.144 0.000 1.165 263 Q CA -0.458 55.437 55.803 0.154 0.000 0.339 263 Q CB 0.464 29.330 28.738 0.213 0.000 5.742 263 Q HN 0.529 nan 8.270 nan 0.000 0.323 264 S N -0.584 115.220 115.700 0.173 0.000 2.536 264 S HA 0.449 4.919 4.470 -0.000 0.000 0.246 264 S C -0.903 173.826 174.600 0.215 0.000 1.077 264 S CA -0.472 57.824 58.200 0.161 0.000 1.091 264 S CB 0.710 64.035 63.200 0.209 0.000 1.148 264 S HN 0.614 nan 8.310 nan 0.000 0.447 265 G N 2.256 111.124 108.800 0.114 0.000 2.504 265 G HA2 0.630 4.589 3.960 -0.000 0.000 0.288 265 G HA3 0.630 4.589 3.960 -0.000 0.000 0.288 265 G C -1.651 173.244 174.900 -0.009 0.000 1.182 265 G CA -0.215 44.961 45.100 0.127 0.000 0.894 265 G HN 0.564 nan 8.290 nan 0.000 0.521 266 Y N -0.488 119.841 120.300 0.049 0.000 2.361 266 Y HA 0.555 5.105 4.550 -0.000 0.000 0.328 266 Y C -0.219 175.729 175.900 0.080 0.000 1.044 266 Y CA -0.689 57.455 58.100 0.073 0.000 1.085 266 Y CB 2.387 40.879 38.460 0.052 0.000 1.194 266 Y HN 0.531 nan 8.280 nan 0.000 0.438 267 L N 2.494 123.844 121.223 0.211 0.000 2.482 267 L HA 0.773 5.112 4.340 -0.000 0.000 0.263 267 L C -1.289 175.719 176.870 0.232 0.000 0.957 267 L CA -0.258 54.703 54.840 0.201 0.000 0.836 267 L CB 2.370 44.538 42.059 0.181 0.000 1.324 267 L HN 0.577 nan 8.230 nan 0.000 0.406 268 T N 4.844 119.504 114.554 0.177 0.000 2.807 268 T HA 0.596 4.946 4.350 -0.000 0.000 0.279 268 T C -0.953 173.843 174.700 0.160 0.000 0.993 268 T CA -0.298 61.887 62.100 0.142 0.000 0.970 268 T CB 1.552 70.480 68.868 0.101 0.000 0.950 268 T HN 0.461 nan 8.240 nan 0.000 0.441 269 L N 3.411 124.719 121.223 0.142 0.000 2.342 269 L HA 0.752 5.091 4.340 -0.000 0.000 0.271 269 L C -1.034 175.881 176.870 0.075 0.000 1.008 269 L CA -0.469 54.478 54.840 0.178 0.000 0.818 269 L CB 1.856 44.025 42.059 0.183 0.000 1.296 269 L HN 0.450 nan 8.230 nan 0.000 0.427 270 N N 3.528 122.285 118.700 0.095 0.000 2.443 270 N HA 0.510 5.250 4.740 -0.000 0.000 0.269 270 N C -1.359 174.020 175.510 -0.218 0.000 0.985 270 N CA -0.264 52.769 53.050 -0.029 0.000 0.921 270 N CB 1.624 40.132 38.487 0.035 0.000 1.195 270 N HN 0.562 nan 8.380 nan 0.000 0.492 271 L N 4.000 125.055 121.223 -0.280 0.000 2.352 271 L HA 0.416 4.756 4.340 -0.000 0.000 0.272 271 L C -2.024 174.510 176.870 -0.561 0.000 1.109 271 L CA -1.709 52.842 54.840 -0.481 0.000 0.952 271 L CB 0.088 42.003 42.059 -0.240 0.000 1.314 271 L HN 0.274 nan 8.230 nan 0.000 0.427 272 P HA -0.215 nan 4.420 nan 0.000 0.273 272 P C -0.437 176.595 177.300 -0.447 0.000 1.159 272 P CA 0.765 63.440 63.100 -0.708 0.000 0.756 272 P CB 0.382 31.278 31.700 -1.340 0.000 0.753 273 E N 2.708 122.731 120.200 -0.296 0.000 2.283 273 E HA 0.542 4.891 4.350 -0.000 0.000 0.271 273 E C -0.531 175.954 176.600 -0.192 0.000 1.031 273 E CA -0.846 55.382 56.400 -0.287 0.000 0.868 273 E CB 0.835 30.453 29.700 -0.136 0.000 1.094 273 E HN 0.217 nan 8.360 nan 0.000 0.401 274 M N 2.344 121.740 119.600 -0.341 0.000 2.602 274 M HA 0.318 4.798 4.480 -0.000 0.000 0.312 274 M C -1.623 174.596 176.300 -0.134 0.000 1.181 274 M CA -0.544 54.670 55.300 -0.144 0.000 0.910 274 M CB 1.803 34.298 32.600 -0.175 0.000 1.723 274 M HN 0.850 nan 8.290 nan 0.000 0.459 275 W N 1.647 123.002 121.300 0.092 0.000 1.267 275 W HA 0.253 4.913 4.660 -0.000 0.000 0.314 275 W C -0.197 176.400 176.519 0.131 0.000 0.896 275 W CA -0.365 57.063 57.345 0.139 0.000 1.521 275 W CB 0.770 30.300 29.460 0.117 0.000 1.654 275 W HN 0.540 nan 8.180 nan 0.000 0.454 276 E N 1.678 122.062 120.200 0.307 0.000 2.354 276 E HA 0.397 4.747 4.350 -0.000 0.000 0.269 276 E C -0.290 176.454 176.600 0.241 0.000 1.036 276 E CA -0.295 56.249 56.400 0.241 0.000 0.876 276 E CB 1.128 30.911 29.700 0.138 0.000 1.009 276 E HN 0.099 nan 8.360 nan 0.000 0.416 277 V N 1.718 121.766 119.914 0.223 0.000 2.487 277 V HA 0.704 4.823 4.120 -0.000 0.000 0.298 277 V C -0.555 175.631 176.094 0.153 0.000 1.028 277 V CA -0.704 61.715 62.300 0.199 0.000 0.860 277 V CB 1.193 33.139 31.823 0.205 0.000 0.991 277 V HN 0.645 nan 8.190 nan 0.000 0.427 278 S N 2.472 118.236 115.700 0.106 0.000 2.570 278 S HA 0.971 5.441 4.470 -0.000 0.000 0.286 278 S C -0.117 174.425 174.600 -0.098 0.000 1.099 278 S CA -0.293 57.901 58.200 -0.010 0.000 0.913 278 S CB 1.949 65.141 63.200 -0.012 0.000 1.085 278 S HN 1.626 nan 8.310 nan 0.000 0.480 279 G N 0.354 108.846 108.800 -0.514 0.000 2.666 279 G HA2 0.554 4.514 3.960 -0.000 0.000 0.303 279 G HA3 0.554 4.514 3.960 -0.000 0.000 0.303 279 G C -1.991 172.505 174.900 -0.674 0.000 1.412 279 G CA -0.621 44.105 45.100 -0.623 0.000 0.979 279 G HN 0.687 nan 8.290 nan 0.000 0.507 280 Y N 3.010 123.033 120.300 -0.462 0.000 2.328 280 Y HA 0.580 5.130 4.550 -0.000 0.000 0.337 280 Y C -0.767 175.045 175.900 -0.146 0.000 0.966 280 Y CA -1.074 56.913 58.100 -0.187 0.000 1.136 280 Y CB 1.561 39.948 38.460 -0.122 0.000 1.170 280 Y HN 0.396 nan 8.280 nan 0.000 0.470 281 N N 5.922 124.376 118.700 -0.410 0.000 2.519 281 N HA 0.232 4.972 4.740 -0.000 0.000 0.286 281 N C -1.446 173.867 175.510 -0.329 0.000 1.079 281 N CA -0.678 52.237 53.050 -0.225 0.000 0.878 281 N CB 1.870 40.352 38.487 -0.008 0.000 1.375 281 N HN 0.663 nan 8.380 nan 0.000 0.514 282 R N 2.312 122.699 120.500 -0.189 0.000 2.230 282 R HA 0.208 4.548 4.340 -0.000 0.000 0.337 282 R C 0.878 177.202 176.300 0.040 0.000 1.063 282 R CA -0.238 55.843 56.100 -0.033 0.000 0.935 282 R CB 0.300 30.689 30.300 0.150 0.000 1.121 282 R HN 0.432 nan 8.270 nan 0.000 0.486 283 V N -0.226 119.720 119.914 0.054 0.000 3.354 283 V HA 0.256 4.375 4.120 -0.000 0.000 0.258 283 V C 0.103 176.248 176.094 0.085 0.000 1.159 283 V CA 0.524 62.858 62.300 0.056 0.000 1.125 283 V CB 0.089 31.930 31.823 0.029 0.000 0.774 283 V HN 0.562 nan 8.190 nan 0.000 0.464 284 D N -0.809 119.681 120.400 0.149 0.000 2.819 284 D HA 0.491 5.131 4.640 -0.000 0.000 0.232 284 D C -2.364 174.066 176.300 0.216 0.000 1.160 284 D CA -1.731 52.380 54.000 0.185 0.000 0.858 284 D CB 2.651 43.604 40.800 0.255 0.000 1.610 284 D HN -0.169 nan 8.370 nan 0.000 0.481 285 P HA -0.168 nan 4.420 nan 0.000 0.218 285 P C 0.664 178.074 177.300 0.182 0.000 1.146 285 P CA 1.367 64.535 63.100 0.113 0.000 0.813 285 P CB 0.294 32.044 31.700 0.083 0.000 0.778 286 Q N -2.794 117.208 119.800 0.336 0.000 2.200 286 Q HA -0.014 4.326 4.340 -0.000 0.000 0.197 286 Q C 0.176 176.476 176.000 0.500 0.000 0.953 286 Q CA 0.710 56.786 55.803 0.456 0.000 0.851 286 Q CB -0.004 29.101 28.738 0.611 0.000 0.938 286 Q HN 0.265 nan 8.270 nan 0.000 0.488 287 W N -0.019 121.470 121.300 0.314 0.000 2.639 287 W HA 0.681 5.341 4.660 -0.000 0.000 0.347 287 W C -0.434 176.192 176.519 0.178 0.000 1.067 287 W CA -0.627 56.858 57.345 0.235 0.000 1.218 287 W CB 1.179 30.674 29.460 0.058 0.000 1.393 287 W HN -0.044 nan 8.180 nan 0.000 0.557 288 A N 2.405 125.432 122.820 0.345 0.000 2.593 288 A HA 0.900 5.219 4.320 -0.000 0.000 0.290 288 A C -1.515 176.034 177.584 -0.058 0.000 1.126 288 A CA -0.898 51.200 52.037 0.101 0.000 0.695 288 A CB 1.524 20.571 19.000 0.078 0.000 1.290 288 A HN 0.869 nan 8.150 nan 0.000 0.414 289 I N -0.990 119.447 120.570 -0.222 0.000 2.730 289 I HA 0.803 4.973 4.170 -0.000 0.000 0.298 289 I C -1.316 174.675 176.117 -0.209 0.000 1.089 289 I CA -0.691 60.438 61.300 -0.284 0.000 1.041 289 I CB 2.392 40.344 38.000 -0.081 0.000 1.235 289 I HN 0.795 nan 8.210 nan 0.000 0.423 290 H N 4.371 123.519 119.070 0.131 0.000 2.768 290 H HA 0.651 5.206 4.556 -0.000 0.000 0.371 290 H C -1.765 173.701 175.328 0.229 0.000 1.151 290 H CA -0.827 55.262 56.048 0.069 0.000 1.165 290 H CB 1.724 31.531 29.762 0.074 0.000 1.722 290 H HN 0.836 nan 8.280 nan 0.000 0.543 291 Y N -0.698 119.698 120.300 0.160 0.000 2.474 291 Y HA 0.501 5.051 4.550 -0.000 0.000 0.326 291 Y C -1.125 174.857 175.900 0.137 0.000 1.160 291 Y CA -0.998 57.168 58.100 0.110 0.000 1.056 291 Y CB 1.287 39.783 38.460 0.060 0.000 1.330 291 Y HN 0.816 nan 8.280 nan 0.000 0.447 292 S N 2.899 118.699 115.700 0.166 0.000 2.599 292 S HA 0.833 5.302 4.470 -0.000 0.000 0.287 292 S C -1.913 172.801 174.600 0.191 0.000 1.105 292 S CA -0.789 57.495 58.200 0.141 0.000 0.899 292 S CB 2.350 65.619 63.200 0.114 0.000 1.100 292 S HN 1.009 nan 8.310 nan 0.000 0.482 293 L N 2.098 123.448 121.223 0.212 0.000 2.485 293 L HA 0.802 5.141 4.340 -0.000 0.000 0.260 293 L C 0.011 177.057 176.870 0.294 0.000 0.998 293 L CA -0.260 54.738 54.840 0.264 0.000 0.883 293 L CB 0.602 42.824 42.059 0.272 0.000 1.196 293 L HN 1.125 nan 8.230 nan 0.000 0.443 294 A N 3.788 126.775 122.820 0.278 0.000 2.301 294 A HA 0.744 5.064 4.320 -0.000 0.000 0.287 294 A C -1.415 176.358 177.584 0.315 0.000 1.274 294 A CA -0.233 51.963 52.037 0.265 0.000 0.865 294 A CB 0.586 19.696 19.000 0.183 0.000 1.324 294 A HN 0.773 nan 8.150 nan 0.000 0.508 295 Y N -0.927 119.426 120.300 0.089 0.000 2.246 295 Y HA 0.349 4.898 4.550 -0.000 0.000 0.315 295 Y C -0.783 175.132 175.900 0.025 0.000 1.251 295 Y CA -0.240 57.834 58.100 -0.044 0.000 1.212 295 Y CB 0.992 39.374 38.460 -0.130 0.000 1.277 295 Y HN 0.700 nan 8.280 nan 0.000 0.398 296 T N 3.494 118.013 114.554 -0.059 0.000 2.855 296 T HA 0.349 4.699 4.350 -0.000 0.000 0.281 296 T C -0.290 174.355 174.700 -0.092 0.000 1.007 296 T CA -0.890 61.191 62.100 -0.032 0.000 1.009 296 T CB 1.522 70.365 68.868 -0.041 0.000 0.983 296 T HN 0.509 nan 8.240 nan 0.000 0.455 297 S N 1.829 117.488 115.700 -0.069 0.000 3.681 297 S HA 0.112 4.582 4.470 -0.000 0.000 0.203 297 S C 0.236 174.826 174.600 -0.016 0.000 1.408 297 S CA -0.782 57.440 58.200 0.038 0.000 0.942 297 S CB -0.405 62.863 63.200 0.114 0.000 1.437 297 S HN 0.746 nan 8.310 nan 0.000 0.482 298 W N 1.657 123.020 121.300 0.104 0.000 2.961 298 W HA -0.051 4.609 4.660 -0.000 0.000 0.240 298 W C 2.308 179.011 176.519 0.306 0.000 1.305 298 W CA 0.372 57.875 57.345 0.263 0.000 1.465 298 W CB -0.370 29.325 29.460 0.392 0.000 1.135 298 W HN 0.663 nan 8.180 nan 0.000 0.688 299 S N -0.256 115.654 115.700 0.350 0.000 2.399 299 S HA -0.271 4.199 4.470 -0.000 0.000 0.231 299 S C 1.558 176.266 174.600 0.179 0.000 1.022 299 S CA 1.255 59.604 58.200 0.250 0.000 0.983 299 S CB -0.526 62.784 63.200 0.183 0.000 0.803 299 S HN 0.442 nan 8.310 nan 0.000 0.480 300 Q N -0.132 119.758 119.800 0.151 0.000 2.226 300 Q HA 0.113 4.453 4.340 -0.000 0.000 0.204 300 Q C 0.036 176.113 176.000 0.128 0.000 0.975 300 Q CA 0.714 56.575 55.803 0.096 0.000 0.866 300 Q CB -0.157 28.600 28.738 0.032 0.000 0.915 300 Q HN 0.676 nan 8.270 nan 0.000 0.440 301 F N 1.242 121.175 119.950 -0.029 0.000 2.334 301 F HA 0.170 4.697 4.527 -0.000 0.000 0.365 301 F C 0.549 176.174 175.800 -0.291 0.000 1.124 301 F CA -0.292 57.625 58.000 -0.139 0.000 1.166 301 F CB 0.658 39.609 39.000 -0.081 0.000 1.355 301 F HN -0.149 nan 8.300 nan 0.000 0.532 302 Q N 3.851 123.372 119.800 -0.464 0.000 2.402 302 Q HA 0.087 4.427 4.340 -0.000 0.000 0.231 302 Q C 0.288 175.879 176.000 -0.683 0.000 0.888 302 Q CA 0.489 55.990 55.803 -0.502 0.000 0.938 302 Q CB 0.721 29.355 28.738 -0.175 0.000 1.086 302 Q HN 0.825 nan 8.270 nan 0.000 0.543 303 Q N -1.332 118.080 119.800 -0.646 0.000 3.111 303 Q HA 0.510 4.849 4.340 -0.000 0.000 0.372 303 Q C -0.626 175.080 176.000 -0.490 0.000 0.781 303 Q CA -0.817 54.683 55.803 -0.505 0.000 0.866 303 Q CB 0.955 29.567 28.738 -0.210 0.000 1.351 303 Q HN 0.009 nan 8.270 nan 0.000 0.453 304 L N 0.323 121.391 121.223 -0.259 0.000 3.447 304 L HA 0.327 4.667 4.340 -0.000 0.000 0.353 304 L C -0.621 176.186 176.870 -0.106 0.000 1.338 304 L CA 0.028 54.812 54.840 -0.093 0.000 0.899 304 L CB 1.037 43.093 42.059 -0.005 0.000 1.332 304 L HN 0.637 nan 8.230 nan 0.000 0.608 305 K N 1.279 121.598 120.400 -0.135 0.000 2.542 305 K HA 0.372 4.692 4.320 -0.000 0.000 0.276 305 K C -0.227 176.361 176.600 -0.020 0.000 0.963 305 K CA 0.918 57.128 56.287 -0.128 0.000 0.975 305 K CB 0.547 33.001 32.500 -0.078 0.000 0.901 305 K HN 0.288 nan 8.250 nan 0.000 0.506 306 A N 2.650 125.462 122.820 -0.014 0.000 2.442 306 A HA 0.372 4.692 4.320 -0.000 0.000 0.284 306 A C -0.546 177.045 177.584 0.011 0.000 1.058 306 A CA -0.630 51.445 52.037 0.063 0.000 0.738 306 A CB 1.224 20.317 19.000 0.155 0.000 1.242 306 A HN 0.813 nan 8.150 nan 0.000 0.421 307 T N -0.521 114.077 114.554 0.072 0.000 2.919 307 T HA 0.868 5.218 4.350 -0.000 0.000 0.282 307 T C 0.419 175.181 174.700 0.103 0.000 1.020 307 T CA 0.078 62.200 62.100 0.036 0.000 0.994 307 T CB 1.398 70.275 68.868 0.015 0.000 1.180 307 T HN 1.353 nan 8.240 nan 0.000 0.566 308 S N -0.538 115.176 115.700 0.023 0.000 2.766 308 S HA 0.418 4.888 4.470 -0.000 0.000 0.307 308 S C 1.718 176.263 174.600 -0.091 0.000 1.121 308 S CA -0.116 58.118 58.200 0.057 0.000 0.980 308 S CB 0.644 63.854 63.200 0.017 0.000 1.159 308 S HN 1.111 nan 8.310 nan 0.000 0.546 309 T N -0.826 113.693 114.554 -0.059 0.000 2.721 309 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 309 T C 1.983 176.594 174.700 -0.148 0.000 1.038 309 T CA 2.104 64.104 62.100 -0.167 0.000 1.145 309 T CB -1.339 67.516 68.868 -0.022 0.000 0.858 309 T HN 0.868 nan 8.240 nan 0.000 0.459 310 S N 1.084 116.736 115.700 -0.080 0.000 2.402 310 S HA 0.272 4.742 4.470 -0.000 0.000 0.229 310 S C 2.156 176.708 174.600 -0.080 0.000 1.021 310 S CA 1.175 59.338 58.200 -0.063 0.000 0.974 310 S CB -0.978 62.201 63.200 -0.035 0.000 0.800 310 S HN 1.603 nan 8.310 nan 0.000 0.484 311 G N 0.753 109.495 108.800 -0.096 0.000 2.195 311 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.224 311 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.224 311 G C -0.432 174.433 174.900 -0.058 0.000 0.990 311 G CA 0.019 45.065 45.100 -0.089 0.000 0.639 311 G HN 0.574 nan 8.290 nan 0.000 0.514 312 D N 1.509 121.878 120.400 -0.052 0.000 2.382 312 D HA 0.390 5.030 4.640 -0.000 0.000 0.240 312 D C 0.715 176.981 176.300 -0.057 0.000 1.146 312 D CA 0.578 54.550 54.000 -0.047 0.000 0.897 312 D CB 0.677 41.453 40.800 -0.039 0.000 1.197 312 D HN 0.095 nan 8.370 nan 0.000 0.432 313 T N 2.109 116.628 114.554 -0.058 0.000 2.853 313 T HA 0.038 4.388 4.350 -0.000 0.000 0.298 313 T C 1.305 175.941 174.700 -0.107 0.000 0.978 313 T CA -0.422 61.633 62.100 -0.074 0.000 1.152 313 T CB 0.675 69.501 68.868 -0.071 0.000 0.914 313 T HN 0.146 nan 8.240 nan 0.000 0.539 314 L N 2.819 123.940 121.223 -0.171 0.000 2.253 314 L HA 0.457 4.797 4.340 -0.000 0.000 0.205 314 L C 0.114 176.857 176.870 -0.212 0.000 1.078 314 L CA 1.109 55.713 54.840 -0.394 0.000 0.805 314 L CB -0.121 41.496 42.059 -0.737 0.000 0.963 314 L HN 0.716 nan 8.230 nan 0.000 0.459 315 F N -0.617 119.216 119.950 -0.195 0.000 2.604 315 F HA 0.551 5.078 4.527 -0.000 0.000 0.316 315 F C -1.033 174.753 175.800 -0.022 0.000 1.136 315 F CA -1.003 56.969 58.000 -0.046 0.000 0.989 315 F CB 1.020 40.047 39.000 0.045 0.000 1.258 315 F HN -0.177 nan 8.300 nan 0.000 0.451 316 Q N 5.129 124.523 119.800 -0.676 0.000 2.325 316 Q HA 0.483 4.823 4.340 -0.000 0.000 0.270 316 Q C -1.765 173.804 176.000 -0.718 0.000 1.020 316 Q CA -0.513 54.914 55.803 -0.627 0.000 0.785 316 Q CB 1.409 29.992 28.738 -0.259 0.000 1.259 316 Q HN 0.488 nan 8.270 nan 0.000 0.452 317 K N 2.384 122.377 120.400 -0.679 0.000 2.397 317 K HA 0.342 4.662 4.320 -0.000 0.000 0.253 317 K C -1.785 174.707 176.600 -0.180 0.000 0.932 317 K CA -0.788 55.285 56.287 -0.357 0.000 0.795 317 K CB 1.158 33.501 32.500 -0.262 0.000 1.159 317 K HN 0.824 nan 8.250 nan 0.000 0.424 318 H N 1.990 120.958 119.070 -0.170 0.000 2.463 318 H HA 0.358 4.914 4.556 -0.000 0.000 0.332 318 H C 0.205 175.444 175.328 -0.149 0.000 1.127 318 H CA -0.003 55.945 56.048 -0.166 0.000 1.238 318 H CB 1.215 30.914 29.762 -0.104 0.000 1.478 318 H HN 0.579 nan 8.280 nan 0.000 0.499 319 E N 2.501 122.163 120.200 -0.897 0.000 2.756 319 E HA 0.197 4.546 4.350 -0.000 0.000 0.192 319 E C 0.263 176.514 176.600 -0.581 0.000 1.022 319 E CA 0.677 56.706 56.400 -0.619 0.000 1.224 319 E CB -0.195 28.945 29.700 -0.934 0.000 1.252 319 E HN 0.890 nan 8.360 nan 0.000 0.494 320 G N 3.050 111.402 108.800 -0.746 0.000 2.487 320 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.243 320 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.243 320 G C -0.111 174.894 174.900 0.174 0.000 0.918 320 G CA 0.356 45.303 45.100 -0.255 0.000 1.260 320 G HN 0.100 nan 8.290 nan 0.000 0.408 321 F N 1.042 120.963 119.950 -0.049 0.000 2.355 321 F HA 0.754 5.281 4.527 -0.000 0.000 0.340 321 F C 1.162 176.991 175.800 0.049 0.000 1.067 321 F CA -0.520 57.493 58.000 0.020 0.000 1.116 321 F CB 1.448 40.544 39.000 0.158 0.000 1.582 321 F HN 0.491 nan 8.300 nan 0.000 0.512 322 K N 0.101 120.651 120.400 0.250 0.000 2.562 322 K HA 0.254 4.574 4.320 -0.000 0.000 0.267 322 K C -2.269 174.398 176.600 0.112 0.000 0.938 322 K CA -1.038 55.334 56.287 0.140 0.000 0.840 322 K CB 1.732 34.266 32.500 0.055 0.000 1.390 322 K HN 0.245 nan 8.250 nan 0.000 0.428 323 D N 1.137 121.586 120.400 0.083 0.000 2.449 323 D HA 0.229 4.869 4.640 -0.000 0.000 0.236 323 D C -0.302 175.873 176.300 -0.209 0.000 1.149 323 D CA 0.455 54.402 54.000 -0.088 0.000 0.878 323 D CB 1.146 41.853 40.800 -0.155 0.000 1.198 323 D HN 0.680 nan 8.370 nan 0.000 0.446 324 A N 1.926 124.567 122.820 -0.299 0.000 2.413 324 A HA 0.614 4.934 4.320 -0.000 0.000 0.307 324 A C -1.337 176.055 177.584 -0.320 0.000 1.087 324 A CA -0.651 51.278 52.037 -0.180 0.000 0.750 324 A CB 1.094 20.076 19.000 -0.030 0.000 1.296 324 A HN 0.479 nan 8.150 nan 0.000 0.423 325 Y N -0.105 120.150 120.300 -0.074 0.000 2.534 325 Y HA 0.761 5.311 4.550 -0.000 0.000 0.329 325 Y C 0.575 176.541 175.900 0.111 0.000 1.154 325 Y CA -0.212 57.906 58.100 0.029 0.000 1.192 325 Y CB 1.924 40.442 38.460 0.096 0.000 1.275 325 Y HN 0.779 nan 8.280 nan 0.000 0.491 326 R N 1.921 122.634 120.500 0.355 0.000 2.584 326 R HA 0.619 4.959 4.340 -0.000 0.000 0.276 326 R C -2.423 174.031 176.300 0.256 0.000 1.046 326 R CA -0.751 55.514 56.100 0.274 0.000 0.906 326 R CB 1.706 32.130 30.300 0.207 0.000 1.215 326 R HN 0.671 nan 8.270 nan 0.000 0.449 327 I N 2.388 123.088 120.570 0.215 0.000 2.647 327 I HA 0.756 4.926 4.170 -0.000 0.000 0.295 327 I C -1.743 174.422 176.117 0.081 0.000 1.078 327 I CA -0.354 61.038 61.300 0.153 0.000 1.048 327 I CB 2.308 40.383 38.000 0.126 0.000 1.239 327 I HN 0.747 nan 8.210 nan 0.000 0.421 328 A N 7.776 130.643 122.820 0.078 0.000 2.429 328 A HA 0.726 5.046 4.320 -0.000 0.000 0.289 328 A C -1.881 175.760 177.584 0.095 0.000 1.043 328 A CA -0.503 51.565 52.037 0.051 0.000 0.722 328 A CB 0.856 19.888 19.000 0.054 0.000 1.243 328 A HN 0.609 nan 8.150 nan 0.000 0.415 329 L N 2.159 123.407 121.223 0.042 0.000 2.317 329 L HA 0.837 5.177 4.340 -0.000 0.000 0.281 329 L C 0.577 177.484 176.870 0.061 0.000 1.024 329 L CA -0.592 54.290 54.840 0.070 0.000 0.810 329 L CB 2.071 44.123 42.059 -0.012 0.000 1.240 329 L HN 0.856 nan 8.230 nan 0.000 0.427 330 G N 0.775 109.601 108.800 0.044 0.000 2.667 330 G HA2 0.626 4.586 3.960 -0.000 0.000 0.298 330 G HA3 0.626 4.586 3.960 -0.000 0.000 0.298 330 G C -1.286 173.415 174.900 -0.331 0.000 1.377 330 G CA -0.251 44.855 45.100 0.010 0.000 0.964 330 G HN 0.372 nan 8.290 nan 0.000 0.493 331 T N 1.024 115.504 114.554 -0.124 0.000 2.824 331 T HA 0.667 5.016 4.350 -0.000 0.000 0.282 331 T C -0.377 174.352 174.700 0.048 0.000 0.993 331 T CA -0.233 61.815 62.100 -0.087 0.000 0.967 331 T CB 1.714 70.647 68.868 0.109 0.000 0.960 331 T HN 0.433 nan 8.240 nan 0.000 0.441 332 T N 3.317 117.897 114.554 0.043 0.000 2.807 332 T HA 0.392 4.741 4.350 -0.000 0.000 0.279 332 T C -1.476 173.053 174.700 -0.286 0.000 0.993 332 T CA -0.480 61.584 62.100 -0.061 0.000 0.970 332 T CB 0.680 69.513 68.868 -0.058 0.000 0.950 332 T HN 0.447 nan 8.240 nan 0.000 0.441 333 Y N 3.568 123.506 120.300 -0.602 0.000 2.478 333 Y HA 0.352 4.902 4.550 -0.000 0.000 0.329 333 Y C -0.936 174.658 175.900 -0.509 0.000 0.967 333 Y CA -2.337 55.248 58.100 -0.858 0.000 1.255 333 Y CB -0.001 37.946 38.460 -0.855 0.000 1.103 333 Y HN 0.671 nan 8.280 nan 0.000 0.497 334 Y N 6.850 127.122 120.300 -0.046 0.000 2.994 334 Y HA -0.016 4.534 4.550 -0.000 0.000 0.393 334 Y C 1.413 177.251 175.900 -0.104 0.000 1.118 334 Y CA -0.170 57.880 58.100 -0.082 0.000 1.906 334 Y CB -0.674 37.781 38.460 -0.008 0.000 1.925 334 Y HN 0.720 nan 8.280 nan 0.000 0.446 335 Y N 1.124 121.152 120.300 -0.453 0.000 1.885 335 Y HA -0.352 4.198 4.550 -0.000 0.000 0.233 335 Y C 1.226 177.081 175.900 -0.075 0.000 1.104 335 Y CA 1.797 59.613 58.100 -0.473 0.000 1.045 335 Y CB -0.407 37.714 38.460 -0.565 0.000 0.906 335 Y HN 0.354 nan 8.280 nan 0.000 0.508 336 D N -1.226 119.064 120.400 -0.184 0.000 2.511 336 D HA 0.100 4.740 4.640 -0.000 0.000 0.276 336 D C 0.555 176.780 176.300 -0.124 0.000 1.220 336 D CA 0.293 54.141 54.000 -0.253 0.000 1.077 336 D CB 0.627 41.438 40.800 0.017 0.000 1.126 336 D HN 0.337 nan 8.370 nan 0.000 0.583 337 D N -0.739 119.573 120.400 -0.146 0.000 2.354 337 D HA 0.010 4.650 4.640 -0.000 0.000 0.209 337 D C 0.612 176.781 176.300 -0.218 0.000 1.015 337 D CA 0.313 54.224 54.000 -0.147 0.000 0.867 337 D CB 0.032 40.750 40.800 -0.136 0.000 0.933 337 D HN 0.248 nan 8.370 nan 0.000 0.520 338 N N -0.766 117.774 118.700 -0.267 0.000 2.407 338 N HA -0.000 4.740 4.740 -0.000 0.000 0.182 338 N C 0.355 175.554 175.510 -0.519 0.000 1.079 338 N CA 0.266 53.008 53.050 -0.513 0.000 0.882 338 N CB 1.048 39.191 38.487 -0.574 0.000 1.106 338 N HN 0.123 nan 8.380 nan 0.000 0.461 339 W N 1.058 122.272 121.300 -0.142 0.000 2.804 339 W HA 0.485 5.145 4.660 -0.000 0.000 0.352 339 W C -0.155 176.075 176.519 -0.483 0.000 1.153 339 W CA -0.081 57.087 57.345 -0.296 0.000 1.119 339 W CB 1.070 30.360 29.460 -0.285 0.000 1.448 339 W HN -0.389 nan 8.180 nan 0.000 0.600 340 T N 1.007 115.243 114.554 -0.530 0.000 2.843 340 T HA 0.636 4.986 4.350 -0.000 0.000 0.302 340 T C -1.692 172.358 174.700 -1.083 0.000 1.232 340 T CA -0.474 61.248 62.100 -0.632 0.000 1.009 340 T CB 1.620 70.294 68.868 -0.323 0.000 1.254 340 T HN 0.094 nan 8.240 nan 0.000 0.504 341 F N 2.463 122.293 119.950 -0.199 0.000 2.941 341 F HA 0.381 4.908 4.527 -0.000 0.000 0.359 341 F C 0.457 176.189 175.800 -0.114 0.000 1.231 341 F CA -1.238 56.680 58.000 -0.137 0.000 1.089 341 F CB 1.305 40.228 39.000 -0.128 0.000 1.407 341 F HN 0.314 nan 8.300 nan 0.000 0.538 342 R N 0.729 121.284 120.500 0.092 0.000 2.596 342 R HA 0.928 5.268 4.340 -0.000 0.000 0.267 342 R C -1.017 175.352 176.300 0.114 0.000 1.026 342 R CA -0.577 55.574 56.100 0.085 0.000 1.087 342 R CB 1.852 32.188 30.300 0.059 0.000 1.132 342 R HN 0.433 nan 8.270 nan 0.000 0.531 343 T N -0.725 113.902 114.554 0.121 0.000 2.977 343 T HA 0.585 4.935 4.350 -0.000 0.000 0.345 343 T C -1.260 173.506 174.700 0.109 0.000 1.562 343 T CA -0.347 61.819 62.100 0.110 0.000 1.090 343 T CB 2.002 70.932 68.868 0.105 0.000 1.383 343 T HN 0.969 nan 8.240 nan 0.000 0.484 344 G N 1.262 110.128 108.800 0.110 0.000 2.579 344 G HA2 0.672 4.632 3.960 -0.000 0.000 0.292 344 G HA3 0.672 4.632 3.960 -0.000 0.000 0.292 344 G C -2.015 172.972 174.900 0.144 0.000 1.484 344 G CA -0.613 44.552 45.100 0.109 0.000 0.813 344 G HN 0.760 nan 8.290 nan 0.000 0.515 345 I N 0.141 120.781 120.570 0.118 0.000 2.740 345 I HA 0.807 4.977 4.170 -0.000 0.000 0.303 345 I C 0.095 176.278 176.117 0.111 0.000 1.044 345 I CA -1.106 60.296 61.300 0.170 0.000 1.064 345 I CB 2.467 40.507 38.000 0.067 0.000 1.249 345 I HN 0.828 nan 8.210 nan 0.000 0.433 346 A N 4.833 127.819 122.820 0.277 0.000 2.491 346 A HA 0.652 4.972 4.320 -0.000 0.000 0.293 346 A C -1.390 176.553 177.584 0.599 0.000 1.047 346 A CA -0.370 51.799 52.037 0.220 0.000 0.735 346 A CB 0.797 19.863 19.000 0.109 0.000 1.281 346 A HN 0.589 nan 8.150 nan 0.000 0.398 347 F N 2.143 122.258 119.950 0.275 0.000 2.385 347 F HA 0.368 4.895 4.527 -0.000 0.000 0.360 347 F C -0.442 175.511 175.800 0.254 0.000 1.122 347 F CA -0.795 57.377 58.000 0.288 0.000 1.090 347 F CB 1.740 40.852 39.000 0.186 0.000 1.150 347 F HN 0.501 nan 8.300 nan 0.000 0.472 348 D N 2.071 122.754 120.400 0.473 0.000 2.168 348 D HA 0.156 4.796 4.640 -0.000 0.000 0.246 348 D C -0.726 175.712 176.300 0.230 0.000 1.050 348 D CA -0.361 53.839 54.000 0.334 0.000 0.857 348 D CB 1.666 42.684 40.800 0.363 0.000 1.169 348 D HN 0.331 nan 8.370 nan 0.000 0.453 349 D N 0.190 120.695 120.400 0.174 0.000 2.198 349 D HA 0.111 4.751 4.640 -0.000 0.000 0.245 349 D C -0.416 175.870 176.300 -0.023 0.000 1.079 349 D CA -0.373 53.678 54.000 0.086 0.000 0.854 349 D CB 1.353 42.224 40.800 0.118 0.000 1.148 349 D HN 0.087 nan 8.370 nan 0.000 0.456 350 S N 3.602 119.237 115.700 -0.109 0.000 2.525 350 S HA 0.144 4.614 4.470 -0.000 0.000 0.285 350 S C -1.781 172.570 174.600 -0.414 0.000 1.283 350 S CA -0.956 57.060 58.200 -0.306 0.000 1.072 350 S CB 0.680 63.708 63.200 -0.287 0.000 0.867 350 S HN 0.336 nan 8.310 nan 0.000 0.492 351 P HA 0.197 nan 4.420 nan 0.000 0.244 351 P C -0.839 175.864 177.300 -0.996 0.000 1.632 351 P CA -0.034 62.633 63.100 -0.720 0.000 0.944 351 P CB -0.058 31.109 31.700 -0.889 0.000 1.569 352 V N 1.542 120.997 119.914 -0.764 0.000 2.482 352 V HA 0.326 4.446 4.120 -0.000 0.000 0.295 352 V C -2.424 173.517 176.094 -0.255 0.000 1.026 352 V CA -2.198 59.739 62.300 -0.605 0.000 0.856 352 V CB 2.358 33.806 31.823 -0.625 0.000 1.001 352 V HN -0.065 nan 8.190 nan 0.000 0.424 353 P HA 0.184 nan 4.420 nan 0.000 0.269 353 P C 0.779 178.059 177.300 -0.032 0.000 1.209 353 P CA 0.113 63.189 63.100 -0.040 0.000 0.776 353 P CB 0.994 32.708 31.700 0.023 0.000 0.876 354 A N 3.458 126.265 122.820 -0.021 0.000 1.884 354 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 354 A C 1.657 179.254 177.584 0.022 0.000 1.197 354 A CA 1.946 53.979 52.037 -0.006 0.000 0.637 354 A CB -1.447 17.555 19.000 0.003 0.000 0.827 354 A HN 0.668 nan 8.150 nan 0.000 0.450 355 Q N 0.189 120.011 119.800 0.036 0.000 2.561 355 Q HA -0.041 4.299 4.340 -0.000 0.000 0.217 355 Q C 0.576 176.622 176.000 0.077 0.000 0.980 355 Q CA 1.459 57.296 55.803 0.056 0.000 0.927 355 Q CB -0.705 28.067 28.738 0.056 0.000 0.980 355 Q HN 0.869 nan 8.270 nan 0.000 0.525 356 N N -0.008 118.735 118.700 0.071 0.000 2.194 356 N HA 0.129 4.869 4.740 -0.000 0.000 0.231 356 N C -0.802 174.760 175.510 0.086 0.000 1.247 356 N CA -0.396 52.709 53.050 0.093 0.000 0.884 356 N CB 0.729 39.279 38.487 0.105 0.000 1.146 356 N HN 0.019 nan 8.380 nan 0.000 0.516 357 R N 1.968 122.504 120.500 0.060 0.000 2.446 357 R HA 0.085 4.425 4.340 -0.000 0.000 0.314 357 R C 0.291 176.634 176.300 0.073 0.000 1.003 357 R CA 0.308 56.438 56.100 0.050 0.000 1.018 357 R CB 0.333 30.653 30.300 0.033 0.000 0.945 357 R HN 0.174 nan 8.270 nan 0.000 0.419 358 S N 2.195 117.944 115.700 0.081 0.000 2.758 358 S HA 0.399 4.869 4.470 -0.000 0.000 0.292 358 S C 1.254 175.865 174.600 0.018 0.000 1.131 358 S CA -0.974 57.265 58.200 0.065 0.000 0.997 358 S CB 0.921 64.185 63.200 0.106 0.000 1.111 358 S HN 0.674 nan 8.310 nan 0.000 0.552 359 I N -2.371 118.171 120.570 -0.046 0.000 3.941 359 I HA 0.220 4.390 4.170 -0.000 0.000 0.321 359 I C 1.557 177.759 176.117 0.142 0.000 1.284 359 I CA -0.128 61.145 61.300 -0.044 0.000 1.226 359 I CB -0.138 37.668 38.000 -0.322 0.000 1.045 359 I HN 0.440 nan 8.210 nan 0.000 0.420 360 S N 1.584 117.369 115.700 0.143 0.000 2.414 360 S HA 0.227 4.697 4.470 -0.000 0.000 0.227 360 S C 0.895 175.572 174.600 0.128 0.000 1.022 360 S CA 0.694 59.011 58.200 0.195 0.000 0.958 360 S CB -0.136 63.173 63.200 0.181 0.000 0.797 360 S HN 0.261 nan 8.310 nan 0.000 0.493 361 I N 2.617 123.270 120.570 0.137 0.000 2.377 361 I HA 0.322 4.492 4.170 -0.000 0.000 0.282 361 I C -2.707 173.487 176.117 0.129 0.000 1.091 361 I CA -2.415 58.979 61.300 0.158 0.000 1.207 361 I CB 0.565 38.732 38.000 0.278 0.000 1.429 361 I HN -0.121 nan 8.210 nan 0.000 0.491 362 P HA -0.028 nan 4.420 nan 0.000 0.265 362 P C -0.408 176.950 177.300 0.098 0.000 1.187 362 P CA 0.097 63.215 63.100 0.030 0.000 0.766 362 P CB 0.505 32.177 31.700 -0.045 0.000 0.820 363 D N 2.056 122.489 120.400 0.055 0.000 2.736 363 D HA 0.164 4.804 4.640 -0.000 0.000 0.293 363 D C -0.223 176.076 176.300 -0.002 0.000 1.241 363 D CA -0.076 53.949 54.000 0.041 0.000 0.965 363 D CB -0.155 40.626 40.800 -0.032 0.000 0.992 363 D HN 0.058 nan 8.370 nan 0.000 0.510 364 Q N 0.839 120.645 119.800 0.010 0.000 2.217 364 Q HA 0.202 4.542 4.340 -0.000 0.000 0.340 364 Q C -1.149 174.791 176.000 -0.100 0.000 0.893 364 Q CA -0.227 55.524 55.803 -0.087 0.000 1.142 364 Q CB 0.749 29.407 28.738 -0.134 0.000 1.288 364 Q HN 0.166 nan 8.270 nan 0.000 0.426 365 D N -0.303 120.103 120.400 0.009 0.000 2.590 365 D HA 0.209 4.849 4.640 -0.000 0.000 0.280 365 D C 0.516 176.858 176.300 0.070 0.000 1.197 365 D CA -0.118 53.916 54.000 0.057 0.000 0.967 365 D CB 0.533 41.500 40.800 0.278 0.000 0.987 365 D HN -0.058 nan 8.370 nan 0.000 0.508 366 R N 1.180 121.677 120.500 -0.005 0.000 2.206 366 R HA 0.261 4.601 4.340 -0.000 0.000 0.198 366 R C -0.240 176.293 176.300 0.387 0.000 0.986 366 R CA 0.606 56.789 56.100 0.139 0.000 1.029 366 R CB 0.135 30.506 30.300 0.119 0.000 0.966 366 R HN 0.402 nan 8.270 nan 0.000 0.487 367 F N -5.119 114.911 119.950 0.133 0.000 2.829 367 F HA 0.451 4.978 4.527 -0.000 0.000 0.319 367 F C -2.127 173.857 175.800 0.307 0.000 1.153 367 F CA -2.189 56.027 58.000 0.360 0.000 0.912 367 F CB 0.295 39.473 39.000 0.296 0.000 1.292 367 F HN -0.275 nan 8.300 nan 0.000 0.447 368 W N 2.445 123.984 121.300 0.397 0.000 2.666 368 W HA 0.789 5.449 4.660 -0.000 0.000 0.334 368 W C -1.527 175.187 176.519 0.324 0.000 1.051 368 W CA -0.926 56.538 57.345 0.198 0.000 1.224 368 W CB 1.943 31.491 29.460 0.147 0.000 1.405 368 W HN 0.510 nan 8.180 nan 0.000 0.513 369 L N 3.296 124.740 121.223 0.369 0.000 2.457 369 L HA 0.566 4.906 4.340 -0.000 0.000 0.266 369 L C -0.462 176.537 176.870 0.216 0.000 0.979 369 L CA -0.476 54.556 54.840 0.320 0.000 0.857 369 L CB 1.135 43.396 42.059 0.337 0.000 1.213 369 L HN 0.348 nan 8.230 nan 0.000 0.418 370 S N 1.592 117.417 115.700 0.208 0.000 2.627 370 S HA 1.023 5.493 4.470 -0.000 0.000 0.283 370 S C -0.910 173.769 174.600 0.132 0.000 1.127 370 S CA -0.369 57.928 58.200 0.162 0.000 0.863 370 S CB 2.245 65.545 63.200 0.166 0.000 1.121 370 S HN 0.736 nan 8.310 nan 0.000 0.479 371 A N 0.094 122.987 122.820 0.122 0.000 2.602 371 A HA 1.026 5.346 4.320 -0.000 0.000 0.290 371 A C -0.402 177.247 177.584 0.109 0.000 1.114 371 A CA -0.308 51.798 52.037 0.116 0.000 0.683 371 A CB 1.501 20.577 19.000 0.126 0.000 1.281 371 A HN 1.502 nan 8.150 nan 0.000 0.416 372 G N -1.355 107.514 108.800 0.115 0.000 2.368 372 G HA2 0.669 4.629 3.960 -0.000 0.000 0.293 372 G HA3 0.669 4.629 3.960 -0.000 0.000 0.293 372 G C -1.120 173.860 174.900 0.133 0.000 1.467 372 G CA 0.466 45.632 45.100 0.110 0.000 0.804 372 G HN 1.651 nan 8.290 nan 0.000 0.535 373 T N -0.911 113.710 114.554 0.111 0.000 3.012 373 T HA 0.685 5.035 4.350 -0.000 0.000 0.330 373 T C -1.268 173.468 174.700 0.059 0.000 1.321 373 T CA -0.178 61.962 62.100 0.067 0.000 1.067 373 T CB 1.948 70.917 68.868 0.168 0.000 1.235 373 T HN 0.703 nan 8.240 nan 0.000 0.479 374 T N 3.867 118.420 114.554 -0.001 0.000 2.812 374 T HA 0.507 4.857 4.350 -0.000 0.000 0.282 374 T C -1.725 173.040 174.700 0.107 0.000 0.990 374 T CA -0.366 61.770 62.100 0.059 0.000 0.960 374 T CB 0.713 69.578 68.868 -0.005 0.000 0.948 374 T HN 0.523 nan 8.240 nan 0.000 0.438 375 Y N 3.353 123.637 120.300 -0.026 0.000 2.331 375 Y HA 0.666 5.216 4.550 -0.000 0.000 0.338 375 Y C -0.343 175.246 175.900 -0.518 0.000 0.976 375 Y CA -1.144 56.776 58.100 -0.300 0.000 1.137 375 Y CB 0.496 38.770 38.460 -0.309 0.000 1.172 375 Y HN 0.730 nan 8.280 nan 0.000 0.478 376 A N 5.551 127.639 122.820 -1.220 0.000 2.306 376 A HA 0.499 4.819 4.320 -0.000 0.000 0.314 376 A C -0.512 176.169 177.584 -1.505 0.000 1.164 376 A CA -0.547 50.885 52.037 -1.009 0.000 0.822 376 A CB 0.221 18.928 19.000 -0.488 0.000 1.130 376 A HN 0.884 nan 8.150 nan 0.000 0.496 377 F N 0.388 119.994 119.950 -0.572 0.000 2.317 377 F HA 0.124 4.651 4.527 -0.000 0.000 0.290 377 F C 1.180 176.844 175.800 -0.226 0.000 1.075 377 F CA 1.153 58.941 58.000 -0.354 0.000 1.380 377 F CB 0.113 39.064 39.000 -0.082 0.000 1.093 377 F HN 0.757 nan 8.300 nan 0.000 0.524 378 N N -0.819 117.882 118.700 0.001 0.000 3.211 378 N HA 0.086 4.826 4.740 -0.000 0.000 0.183 378 N C 0.175 175.647 175.510 -0.063 0.000 1.447 378 N CA -0.100 52.926 53.050 -0.040 0.000 0.840 378 N CB 0.383 38.877 38.487 0.012 0.000 1.611 378 N HN 0.216 nan 8.380 nan 0.000 0.610 379 K N -0.780 119.555 120.400 -0.109 0.000 3.456 379 K HA -0.318 4.002 4.320 -0.000 0.000 0.313 379 K C -0.821 175.693 176.600 -0.142 0.000 1.252 379 K CA 2.509 58.723 56.287 -0.121 0.000 0.991 379 K CB -1.147 31.287 32.500 -0.110 0.000 1.259 379 K HN 0.434 nan 8.250 nan 0.000 0.420 380 D N -0.108 120.210 120.400 -0.137 0.000 2.514 380 D HA 0.390 5.030 4.640 -0.000 0.000 0.225 380 D C -0.109 176.019 176.300 -0.286 0.000 1.159 380 D CA 0.739 54.574 54.000 -0.275 0.000 0.823 380 D CB 1.470 42.087 40.800 -0.304 0.000 1.097 380 D HN 0.523 nan 8.370 nan 0.000 0.519 381 A N 0.177 122.996 122.820 -0.003 0.000 2.594 381 A HA 0.685 5.004 4.320 -0.000 0.000 0.296 381 A C -0.647 177.189 177.584 0.419 0.000 1.061 381 A CA -0.299 51.869 52.037 0.218 0.000 0.689 381 A CB 1.337 20.622 19.000 0.476 0.000 1.280 381 A HN 0.034 nan 8.150 nan 0.000 0.406 382 S N -0.546 115.446 115.700 0.487 0.000 2.703 382 S HA 0.816 5.286 4.470 -0.000 0.000 0.273 382 S C -1.635 173.349 174.600 0.640 0.000 1.178 382 S CA -0.188 58.304 58.200 0.487 0.000 0.838 382 S CB 1.073 64.279 63.200 0.010 0.000 1.178 382 S HN 2.215 nan 8.310 nan 0.000 0.494 383 V N 1.084 121.254 119.914 0.426 0.000 2.686 383 V HA 0.560 4.680 4.120 -0.000 0.000 0.306 383 V C -1.949 174.287 176.094 0.237 0.000 1.065 383 V CA -0.532 62.014 62.300 0.411 0.000 0.894 383 V CB 1.764 33.875 31.823 0.480 0.000 1.004 383 V HN 0.977 nan 8.190 nan 0.000 0.424 384 D N 5.218 125.742 120.400 0.207 0.000 2.168 384 D HA 0.549 5.189 4.640 -0.000 0.000 0.246 384 D C -0.812 175.575 176.300 0.145 0.000 1.050 384 D CA -0.121 53.965 54.000 0.143 0.000 0.857 384 D CB 2.422 43.288 40.800 0.109 0.000 1.169 384 D HN 0.380 nan 8.370 nan 0.000 0.453 385 V N 0.903 120.895 119.914 0.131 0.000 2.531 385 V HA 0.728 4.848 4.120 -0.000 0.000 0.301 385 V C 0.516 176.682 176.094 0.120 0.000 1.034 385 V CA -0.735 61.647 62.300 0.136 0.000 0.865 385 V CB 1.843 33.755 31.823 0.148 0.000 0.995 385 V HN 0.681 nan 8.190 nan 0.000 0.424 386 G N 2.432 111.306 108.800 0.124 0.000 2.574 386 G HA2 0.775 4.735 3.960 -0.000 0.000 0.299 386 G HA3 0.775 4.735 3.960 -0.000 0.000 0.299 386 G C -1.731 173.259 174.900 0.150 0.000 1.298 386 G CA -0.774 44.387 45.100 0.102 0.000 0.952 386 G HN 0.623 nan 8.290 nan 0.000 0.477 387 V N 0.034 120.027 119.914 0.131 0.000 2.924 387 V HA 0.655 4.775 4.120 -0.000 0.000 0.300 387 V C -0.584 175.559 176.094 0.081 0.000 1.227 387 V CA -0.807 61.572 62.300 0.132 0.000 0.954 387 V CB 2.221 34.219 31.823 0.292 0.000 1.055 387 V HN 0.894 nan 8.190 nan 0.000 0.429 388 S N 2.892 118.578 115.700 -0.024 0.000 2.538 388 S HA 0.613 5.082 4.470 -0.000 0.000 0.288 388 S C -1.489 172.963 174.600 -0.247 0.000 1.108 388 S CA -0.526 57.639 58.200 -0.059 0.000 0.971 388 S CB 1.729 64.895 63.200 -0.057 0.000 1.041 388 S HN 0.735 nan 8.310 nan 0.000 0.483 389 Y N 3.683 123.739 120.300 -0.408 0.000 2.434 389 Y HA 0.614 5.164 4.550 -0.000 0.000 0.341 389 Y C -0.459 174.990 175.900 -0.752 0.000 0.965 389 Y CA -0.646 56.972 58.100 -0.804 0.000 1.205 389 Y CB 0.621 38.563 38.460 -0.864 0.000 1.121 389 Y HN 0.697 nan 8.280 nan 0.000 0.507 390 M N 7.608 126.406 119.600 -1.337 0.000 2.149 390 M HA 0.320 4.800 4.480 -0.000 0.000 0.342 390 M C -1.629 173.949 176.300 -1.204 0.000 1.068 390 M CA -0.304 54.245 55.300 -1.253 0.000 0.991 390 M CB 0.581 32.438 32.600 -1.238 0.000 1.596 390 M HN 0.838 nan 8.290 nan 0.000 0.439 391 H N 3.111 121.420 119.070 -1.269 0.000 2.533 391 H HA 0.665 5.221 4.556 -0.000 0.000 0.343 391 H C -0.390 174.599 175.328 -0.566 0.000 1.160 391 H CA -0.421 55.091 56.048 -0.893 0.000 1.218 391 H CB 1.786 31.116 29.762 -0.720 0.000 1.566 391 H HN 0.893 nan 8.280 nan 0.000 0.522 392 G N 1.528 109.930 108.800 -0.663 0.000 3.392 392 G HA2 0.305 4.265 3.960 -0.000 0.000 0.188 392 G HA3 0.305 4.265 3.960 -0.000 0.000 0.188 392 G C -0.843 173.726 174.900 -0.551 0.000 1.485 392 G CA -0.203 44.608 45.100 -0.482 0.000 0.943 392 G HN 0.613 nan 8.290 nan 0.000 0.627 393 Q N -1.583 118.035 119.800 -0.304 0.000 2.553 393 Q HA 0.502 4.842 4.340 -0.000 0.000 0.293 393 Q C -1.380 174.577 176.000 -0.072 0.000 1.038 393 Q CA -0.659 55.034 55.803 -0.183 0.000 0.777 393 Q CB 2.267 30.941 28.738 -0.106 0.000 1.487 393 Q HN 0.326 nan 8.270 nan 0.000 0.426 394 S N 1.183 116.870 115.700 -0.021 0.000 2.835 394 S HA 0.248 4.718 4.470 -0.000 0.000 0.194 394 S C -0.385 174.226 174.600 0.020 0.000 1.364 394 S CA -0.420 57.793 58.200 0.021 0.000 1.167 394 S CB -0.257 62.969 63.200 0.043 0.000 1.223 394 S HN 0.364 nan 8.310 nan 0.000 0.512 395 V N -0.002 119.921 119.914 0.014 0.000 2.427 395 V HA 0.615 4.735 4.120 -0.000 0.000 0.286 395 V C -0.215 175.910 176.094 0.052 0.000 1.034 395 V CA -0.983 61.331 62.300 0.022 0.000 0.893 395 V CB 1.017 32.842 31.823 0.004 0.000 0.982 395 V HN 0.177 nan 8.190 nan 0.000 0.452 396 K N 4.269 124.705 120.400 0.060 0.000 2.168 396 K HA 0.736 5.056 4.320 -0.000 0.000 0.258 396 K C -0.562 176.102 176.600 0.106 0.000 1.010 396 K CA -0.076 56.264 56.287 0.089 0.000 0.929 396 K CB 1.131 33.676 32.500 0.075 0.000 0.998 396 K HN 0.805 nan 8.250 nan 0.000 0.479 397 I N 1.331 121.998 120.570 0.162 0.000 2.894 397 I HA 0.294 4.464 4.170 -0.000 0.000 0.302 397 I C -1.078 175.188 176.117 0.249 0.000 1.188 397 I CA -1.013 60.401 61.300 0.190 0.000 1.014 397 I CB 2.321 40.441 38.000 0.199 0.000 1.242 397 I HN 0.503 nan 8.210 nan 0.000 0.430 398 N N 4.019 122.848 118.700 0.215 0.000 2.577 398 N HA 0.292 5.032 4.740 -0.000 0.000 0.275 398 N C -1.385 174.258 175.510 0.221 0.000 1.091 398 N CA -0.447 52.728 53.050 0.207 0.000 0.843 398 N CB 2.369 40.927 38.487 0.118 0.000 1.295 398 N HN 0.618 nan 8.380 nan 0.000 0.530 399 E N 1.022 121.423 120.200 0.335 0.000 2.248 399 E HA 0.556 4.906 4.350 -0.000 0.000 0.267 399 E C 0.664 177.450 176.600 0.309 0.000 0.877 399 E CA -0.525 56.048 56.400 0.288 0.000 0.759 399 E CB 1.494 31.359 29.700 0.276 0.000 1.182 399 E HN 0.552 nan 8.360 nan 0.000 0.418 400 G N 4.941 113.848 108.800 0.178 0.000 2.611 400 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.301 400 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.301 400 G C -1.623 173.238 174.900 -0.065 0.000 1.233 400 G CA 0.187 45.335 45.100 0.081 0.000 0.993 400 G HN 0.638 nan 8.290 nan 0.000 0.553 401 P HA 0.381 nan 4.420 nan 0.000 0.276 401 P C -0.761 176.215 177.300 -0.540 0.000 1.585 401 P CA 0.026 62.852 63.100 -0.456 0.000 1.162 401 P CB 0.045 31.407 31.700 -0.562 0.000 1.556 402 Y N -0.524 119.740 120.300 -0.061 0.000 2.587 402 Y HA 0.597 5.147 4.550 -0.000 0.000 0.337 402 Y C 0.750 176.470 175.900 -0.300 0.000 1.065 402 Y CA -1.065 56.861 58.100 -0.290 0.000 1.126 402 Y CB 1.289 39.380 38.460 -0.616 0.000 1.279 402 Y HN -0.271 nan 8.280 nan 0.000 0.489 403 Q N 2.054 121.693 119.800 -0.268 0.000 2.339 403 Q HA 0.388 4.728 4.340 -0.000 0.000 0.268 403 Q C -1.673 174.173 176.000 -0.257 0.000 1.027 403 Q CA -0.370 55.349 55.803 -0.140 0.000 0.759 403 Q CB 1.690 30.395 28.738 -0.056 0.000 1.244 403 Q HN 0.566 nan 8.270 nan 0.000 0.464 404 F N 0.426 120.441 119.950 0.108 0.000 2.497 404 F HA 0.455 4.982 4.527 -0.000 0.000 0.331 404 F C 0.751 176.601 175.800 0.084 0.000 1.060 404 F CA -0.985 57.076 58.000 0.102 0.000 0.989 404 F CB 1.536 40.608 39.000 0.121 0.000 1.245 404 F HN 0.349 nan 8.300 nan 0.000 0.486 405 E N 0.973 121.341 120.200 0.280 0.000 2.914 405 E HA 0.280 4.630 4.350 -0.000 0.000 0.246 405 E C -0.835 175.856 176.600 0.152 0.000 1.146 405 E CA -0.371 56.131 56.400 0.170 0.000 0.803 405 E CB 0.602 30.374 29.700 0.120 0.000 1.409 405 E HN 0.689 nan 8.360 nan 0.000 0.392 406 S N 2.635 118.418 115.700 0.139 0.000 2.632 406 S HA 0.340 4.809 4.470 -0.000 0.000 0.254 406 S C 0.411 175.045 174.600 0.056 0.000 1.291 406 S CA 0.046 58.301 58.200 0.092 0.000 0.974 406 S CB 0.781 64.018 63.200 0.063 0.000 1.016 406 S HN 0.703 nan 8.310 nan 0.000 0.579 407 E N -1.978 118.237 120.200 0.026 0.000 2.368 407 E HA 0.596 4.945 4.350 -0.000 0.000 0.267 407 E C -0.716 175.866 176.600 -0.029 0.000 1.216 407 E CA -1.041 55.363 56.400 0.006 0.000 0.891 407 E CB 0.464 30.187 29.700 0.038 0.000 1.524 407 E HN 1.202 nan 8.360 nan 0.000 0.445 408 G N -0.143 108.634 108.800 -0.039 0.000 2.466 408 G HA2 0.566 4.526 3.960 -0.000 0.000 0.291 408 G HA3 0.566 4.526 3.960 -0.000 0.000 0.291 408 G C -1.807 173.050 174.900 -0.071 0.000 1.460 408 G CA -0.252 44.799 45.100 -0.081 0.000 0.791 408 G HN 0.817 nan 8.290 nan 0.000 0.505 409 K N -1.722 118.581 120.400 -0.161 0.000 3.073 409 K HA 0.794 5.113 4.320 -0.000 0.000 0.300 409 K C -1.102 175.269 176.600 -0.382 0.000 1.082 409 K CA -0.548 55.564 56.287 -0.292 0.000 0.803 409 K CB 1.111 33.504 32.500 -0.179 0.000 1.488 409 K HN 2.458 nan 8.250 nan 0.000 0.372 410 A N -0.328 122.127 122.820 -0.608 0.000 2.606 410 A HA 0.472 4.792 4.320 -0.000 0.000 0.303 410 A C -2.571 174.635 177.584 -0.630 0.000 0.981 410 A CA -0.964 50.801 52.037 -0.454 0.000 0.742 410 A CB 0.181 18.948 19.000 -0.388 0.000 1.229 410 A HN 0.574 nan 8.150 nan 0.000 0.401 411 W N 1.994 123.055 121.300 -0.398 0.000 2.573 411 W HA 0.704 5.364 4.660 -0.000 0.000 0.326 411 W C -0.340 175.760 176.519 -0.699 0.000 1.049 411 W CA -0.642 56.385 57.345 -0.529 0.000 1.220 411 W CB 1.618 30.840 29.460 -0.396 0.000 1.373 411 W HN 0.511 nan 8.180 nan 0.000 0.507 412 L N 3.351 124.246 121.223 -0.547 0.000 2.334 412 L HA 0.619 4.959 4.340 -0.000 0.000 0.276 412 L C -0.967 175.541 176.870 -0.603 0.000 1.014 412 L CA -1.134 53.452 54.840 -0.424 0.000 0.815 412 L CB 0.918 42.852 42.059 -0.208 0.000 1.268 412 L HN 0.383 nan 8.230 nan 0.000 0.428 413 F N 0.541 120.611 119.950 0.200 0.000 2.557 413 F HA 0.693 5.220 4.527 -0.000 0.000 0.316 413 F C 0.521 176.408 175.800 0.146 0.000 1.141 413 F CA -0.654 57.462 58.000 0.194 0.000 0.922 413 F CB 2.485 41.628 39.000 0.238 0.000 1.194 413 F HN 0.478 nan 8.300 nan 0.000 0.443 414 G N 0.471 109.423 108.800 0.252 0.000 2.642 414 G HA2 0.708 4.668 3.960 -0.000 0.000 0.293 414 G HA3 0.708 4.668 3.960 -0.000 0.000 0.293 414 G C -1.636 173.340 174.900 0.127 0.000 1.341 414 G CA -0.923 44.257 45.100 0.134 0.000 0.916 414 G HN 0.462 nan 8.290 nan 0.000 0.474 415 T N 1.425 116.028 114.554 0.081 0.000 3.335 415 T HA 0.377 4.727 4.350 -0.000 0.000 0.321 415 T C -0.834 173.933 174.700 0.111 0.000 0.960 415 T CA -0.663 61.502 62.100 0.107 0.000 1.034 415 T CB 0.992 69.925 68.868 0.109 0.000 1.040 415 T HN 0.443 nan 8.240 nan 0.000 0.454 416 N N 1.882 120.673 118.700 0.152 0.000 2.370 416 N HA 0.655 5.395 4.740 -0.000 0.000 0.303 416 N C -1.575 174.114 175.510 0.298 0.000 1.103 416 N CA -0.470 52.695 53.050 0.193 0.000 0.848 416 N CB 2.222 40.804 38.487 0.158 0.000 1.235 416 N HN 0.441 nan 8.380 nan 0.000 0.496 417 F N 1.931 121.976 119.950 0.158 0.000 2.520 417 F HA 0.513 5.040 4.527 -0.000 0.000 0.322 417 F C -1.241 174.656 175.800 0.162 0.000 1.103 417 F CA -0.788 57.319 58.000 0.177 0.000 0.926 417 F CB 0.977 40.092 39.000 0.191 0.000 1.154 417 F HN 0.401 nan 8.300 nan 0.000 0.453 418 N N 3.712 122.147 118.700 -0.443 0.000 2.405 418 N HA 0.575 5.315 4.740 -0.000 0.000 0.285 418 N C -2.187 172.733 175.510 -0.983 0.000 1.262 418 N CA -0.717 51.929 53.050 -0.673 0.000 0.773 418 N CB 1.939 40.278 38.487 -0.246 0.000 1.490 418 N HN 0.620 nan 8.380 nan 0.000 0.486 419 Y N -0.251 119.295 120.300 -1.257 0.000 2.480 419 Y HA 0.632 5.182 4.550 -0.000 0.000 0.329 419 Y C -1.693 173.768 175.900 -0.732 0.000 1.127 419 Y CA -0.998 56.460 58.100 -1.070 0.000 1.037 419 Y CB 1.406 38.985 38.460 -1.467 0.000 1.320 419 Y HN 0.764 nan 8.280 nan 0.000 0.446 420 A N 4.992 127.155 122.820 -1.095 0.000 2.324 420 A HA 0.771 5.091 4.320 -0.000 0.000 0.330 420 A C -1.576 175.528 177.584 -0.799 0.000 1.165 420 A CA -0.347 51.287 52.037 -0.672 0.000 0.813 420 A CB 0.479 19.223 19.000 -0.426 0.000 1.197 420 A HN 0.580 nan 8.150 nan 0.000 0.484 421 F N 0.000 119.825 119.950 -0.209 0.000 2.286 421 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 421 F CA 0.000 57.978 58.000 -0.036 0.000 1.383 421 F CB 0.000 39.071 39.000 0.118 0.000 1.145 421 F HN 0.000 nan 8.300 nan 0.000 0.574