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 3cr8_1_C DATA FIRST_RESID 5 DATA SEQUENCE LIEPYGGTLV NLIDPEKREA LKHEALSLPS LDLDWQQQCE LEMLMTGAYS DATA SEQUENCE PLTGFMTRAQ CARVESAQQL DDGSFWPSPI TLTSRDRALA DRRPGERLAL DATA SEQUENCE RDGEGYMLAI LTLSDVWKDG ERWHLAGEVE GAALPPHPDF VSLRATPAEL DATA SEQUENCE RALFVRRGWR RIIAWQARQP MHRAQYEFCL KSAIENEANL LLHPQVGGDI DATA SEQUENCE TEAPAYFGLV RSFLAIRDRF PAATTQLSLL PAPPPEASGR ALLLRAIVAR DATA SEQUENCE NFGCSLLIAG GXXXXXXXXX XXXXXXXXXX XDPSVAERAE KIGVRLIAYP DATA SEQUENCE RMVYVEDRAE HLPEAEAPQG ARLLTLSGEE FQRRMRAGLK IPEWYSFPEV DATA SEQUENCE LAELHRQTPP RERQGFTVFF TGLSGAGKST LARALAARLM EMGGRCVTLL DATA SEQUENCE DGDIVRRHLS SELGFSKAHR DVNVRRIGFV ASEITKNRGI AICAPIAPYR DATA SEQUENCE QTRRDVRAMI EAVGGFVEIH VATPIEXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXYEVPET PELAIDTTGL AIDEAVQQIL LKLEHEGYLR L 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.911 176.870 0.068 0.000 1.165 5 L CA 0.000 54.880 54.840 0.066 0.000 0.813 5 L CB 0.000 42.118 42.059 0.099 0.000 0.961 6 I N 3.977 124.585 120.570 0.063 0.000 2.919 6 I HA -0.124 4.046 4.170 -0.000 0.000 0.299 6 I C 0.624 176.794 176.117 0.088 0.000 1.221 6 I CA 0.484 61.826 61.300 0.070 0.000 1.424 6 I CB 0.631 38.673 38.000 0.069 0.000 1.358 6 I HN 0.611 nan 8.210 nan 0.000 0.551 7 E N 8.467 128.717 120.200 0.082 0.000 2.349 7 E HA 0.443 4.793 4.350 -0.000 0.000 0.262 7 E C -2.475 174.188 176.600 0.106 0.000 1.088 7 E CA -1.976 54.473 56.400 0.083 0.000 0.899 7 E CB -0.210 29.528 29.700 0.064 0.000 1.044 7 E HN 0.387 nan 8.360 nan 0.000 0.420 8 P HA -0.155 nan 4.420 nan 0.000 0.269 8 P C -1.042 176.376 177.300 0.197 0.000 1.211 8 P CA 0.159 63.336 63.100 0.129 0.000 0.781 8 P CB 0.142 31.892 31.700 0.084 0.000 0.877 9 Y N 1.479 121.835 120.300 0.095 0.000 2.578 9 Y HA 0.277 4.827 4.550 0.000 0.000 0.339 9 Y C 1.894 177.867 175.900 0.122 0.000 1.231 9 Y CA 1.522 59.697 58.100 0.125 0.000 1.461 9 Y CB -0.283 38.284 38.460 0.177 0.000 1.323 9 Y HN 0.784 nan 8.280 nan 0.000 0.590 10 G N 2.031 110.592 108.800 -0.398 0.000 2.328 10 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.256 10 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.256 10 G C 1.093 175.935 174.900 -0.097 0.000 1.014 10 G CA 1.021 45.956 45.100 -0.275 0.000 0.620 10 G HN 2.097 nan 8.290 nan 0.000 0.530 11 G N -2.372 106.415 108.800 -0.021 0.000 2.428 11 G HA2 0.322 4.282 3.960 -0.000 0.000 0.199 11 G HA3 0.322 4.282 3.960 -0.000 0.000 0.199 11 G C 0.665 175.576 174.900 0.018 0.000 1.005 11 G CA 1.400 46.503 45.100 0.005 0.000 0.671 11 G HN 2.592 nan 8.290 nan 0.000 0.485 12 T N -0.210 114.353 114.554 0.014 0.000 2.956 12 T HA 0.601 4.951 4.350 -0.000 0.000 0.312 12 T C -0.661 174.049 174.700 0.017 0.000 1.151 12 T CA -0.529 61.580 62.100 0.014 0.000 1.024 12 T CB 1.628 70.497 68.868 0.002 0.000 1.140 12 T HN 0.674 nan 8.240 nan 0.000 0.473 13 L N 5.192 126.422 121.223 0.011 0.000 2.369 13 L HA 0.394 4.734 4.340 -0.000 0.000 0.279 13 L C 0.161 177.024 176.870 -0.013 0.000 1.108 13 L CA -0.444 54.396 54.840 -0.000 0.000 0.852 13 L CB 0.748 42.796 42.059 -0.019 0.000 1.169 13 L HN 0.642 nan 8.230 nan 0.000 0.452 14 V N 5.131 125.039 119.914 -0.010 0.000 2.872 14 V HA 0.043 4.163 4.120 -0.000 0.000 0.307 14 V C 0.443 176.515 176.094 -0.036 0.000 1.072 14 V CA -0.012 62.275 62.300 -0.021 0.000 1.148 14 V CB 1.106 32.919 31.823 -0.016 0.000 0.954 14 V HN 0.767 nan 8.190 nan 0.000 0.490 15 N N 3.557 122.236 118.700 -0.034 0.000 2.594 15 N HA 0.224 4.964 4.740 -0.000 0.000 0.280 15 N C -0.489 175.002 175.510 -0.032 0.000 1.156 15 N CA -0.526 52.503 53.050 -0.036 0.000 0.831 15 N CB 1.479 39.946 38.487 -0.033 0.000 1.379 15 N HN 0.380 nan 8.380 nan 0.000 0.536 16 L N 3.459 124.661 121.223 -0.035 0.000 2.660 16 L HA 0.391 4.731 4.340 -0.000 0.000 0.238 16 L C 0.078 176.935 176.870 -0.022 0.000 1.161 16 L CA 0.478 55.298 54.840 -0.033 0.000 0.937 16 L CB -0.518 41.514 42.059 -0.044 0.000 1.122 16 L HN 0.571 nan 8.230 nan 0.000 0.435 17 I N -0.490 120.069 120.570 -0.018 0.000 2.521 17 I HA 0.182 4.352 4.170 -0.000 0.000 0.277 17 I C -0.596 175.514 176.117 -0.011 0.000 1.054 17 I CA -0.508 60.785 61.300 -0.011 0.000 1.117 17 I CB 1.497 39.495 38.000 -0.004 0.000 1.217 17 I HN -0.156 nan 8.210 nan 0.000 0.469 18 D N 8.468 128.861 120.400 -0.012 0.000 2.412 18 D HA 0.283 4.923 4.640 -0.000 0.000 0.224 18 D C -1.718 174.577 176.300 -0.009 0.000 1.093 18 D CA -2.162 51.831 54.000 -0.011 0.000 0.850 18 D CB 2.036 42.829 40.800 -0.012 0.000 1.046 18 D HN 0.136 nan 8.370 nan 0.000 0.507 19 P HA -0.208 nan 4.420 nan 0.000 0.215 19 P C 1.269 178.565 177.300 -0.007 0.000 1.163 19 P CA 2.577 65.674 63.100 -0.005 0.000 0.894 19 P CB 0.269 31.968 31.700 -0.003 0.000 0.791 20 E N 1.151 121.347 120.200 -0.007 0.000 2.045 20 E HA -0.331 4.019 4.350 -0.000 0.000 0.212 20 E C 1.772 178.366 176.600 -0.010 0.000 1.039 20 E CA 2.250 58.645 56.400 -0.008 0.000 0.860 20 E CB -1.960 27.735 29.700 -0.007 0.000 0.776 20 E HN 0.383 nan 8.360 nan 0.000 0.467 21 K N -0.164 120.230 120.400 -0.011 0.000 2.520 21 K HA -0.118 4.202 4.320 -0.000 0.000 0.197 21 K C 2.568 179.159 176.600 -0.015 0.000 1.044 21 K CA 1.205 57.485 56.287 -0.012 0.000 0.938 21 K CB -0.412 32.080 32.500 -0.013 0.000 0.767 21 K HN 0.450 nan 8.250 nan 0.000 0.481 22 R N 1.570 122.061 120.500 -0.015 0.000 2.052 22 R HA -0.085 4.255 4.340 -0.000 0.000 0.226 22 R C 2.036 178.322 176.300 -0.023 0.000 1.145 22 R CA 1.386 57.474 56.100 -0.019 0.000 0.952 22 R CB -1.023 29.269 30.300 -0.014 0.000 0.847 22 R HN 0.106 nan 8.270 nan 0.000 0.431 23 E N 0.520 120.710 120.200 -0.017 0.000 2.209 23 E HA -0.053 4.297 4.350 -0.000 0.000 0.196 23 E C 2.164 178.752 176.600 -0.020 0.000 0.993 23 E CA 1.375 57.764 56.400 -0.018 0.000 0.819 23 E CB -0.467 29.226 29.700 -0.012 0.000 0.745 23 E HN 0.618 nan 8.360 nan 0.000 0.477 24 A N 0.456 123.266 122.820 -0.018 0.000 1.859 24 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 24 A C 2.237 179.808 177.584 -0.022 0.000 1.209 24 A CA 2.105 54.132 52.037 -0.017 0.000 0.639 24 A CB -0.967 18.024 19.000 -0.015 0.000 0.835 24 A HN 0.331 nan 8.150 nan 0.000 0.450 25 L N -1.187 120.021 121.223 -0.026 0.000 2.072 25 L HA -0.074 4.266 4.340 -0.000 0.000 0.205 25 L C 3.055 179.901 176.870 -0.041 0.000 1.079 25 L CA 1.526 56.348 54.840 -0.030 0.000 0.752 25 L CB -1.225 40.816 42.059 -0.031 0.000 0.906 25 L HN 0.482 nan 8.230 nan 0.000 0.436 26 K N 0.104 120.475 120.400 -0.049 0.000 2.044 26 K HA -0.296 4.024 4.320 -0.000 0.000 0.210 26 K C 2.195 178.767 176.600 -0.046 0.000 1.049 26 K CA 2.442 58.692 56.287 -0.062 0.000 0.927 26 K CB -2.304 30.159 32.500 -0.062 0.000 0.713 26 K HN 0.679 nan 8.250 nan 0.000 0.443 27 H N 0.207 119.256 119.070 -0.034 0.000 2.265 27 H HA -0.170 4.386 4.556 -0.000 0.000 0.293 27 H C 2.208 177.521 175.328 -0.025 0.000 1.089 27 H CA 2.634 58.666 56.048 -0.026 0.000 1.244 27 H CB -0.732 29.017 29.762 -0.021 0.000 1.355 27 H HN 0.845 nan 8.280 nan 0.000 0.485 28 E N 0.551 120.737 120.200 -0.024 0.000 2.204 28 E HA 0.078 4.428 4.350 -0.000 0.000 0.194 28 E C 2.489 179.075 176.600 -0.024 0.000 0.989 28 E CA 0.847 57.235 56.400 -0.021 0.000 0.824 28 E CB -0.301 29.388 29.700 -0.018 0.000 0.756 28 E HN 0.682 nan 8.360 nan 0.000 0.477 29 A N 1.105 123.907 122.820 -0.030 0.000 2.066 29 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 29 A C 2.104 179.668 177.584 -0.033 0.000 1.157 29 A CA 0.318 52.336 52.037 -0.033 0.000 0.670 29 A CB -0.478 18.495 19.000 -0.045 0.000 0.804 29 A HN 0.361 nan 8.150 nan 0.000 0.453 30 L N 0.402 121.606 121.223 -0.032 0.000 2.351 30 L HA -0.182 4.158 4.340 -0.000 0.000 0.220 30 L C 2.087 178.943 176.870 -0.025 0.000 1.127 30 L CA 1.593 56.416 54.840 -0.029 0.000 0.786 30 L CB -0.214 41.830 42.059 -0.024 0.000 0.914 30 L HN 0.634 nan 8.230 nan 0.000 0.443 31 S N -2.107 113.579 115.700 -0.023 0.000 2.663 31 S HA 0.346 4.816 4.470 -0.000 0.000 0.243 31 S C 0.113 174.701 174.600 -0.021 0.000 1.009 31 S CA -0.637 57.551 58.200 -0.020 0.000 0.988 31 S CB 0.169 63.359 63.200 -0.017 0.000 0.896 31 S HN 0.141 nan 8.310 nan 0.000 0.502 32 L N 1.447 122.655 121.223 -0.025 0.000 2.303 32 L HA 0.662 5.002 4.340 -0.000 0.000 0.266 32 L C -2.449 174.403 176.870 -0.031 0.000 1.011 32 L CA -2.680 52.145 54.840 -0.026 0.000 0.818 32 L CB 1.434 43.478 42.059 -0.025 0.000 1.326 32 L HN 0.044 nan 8.230 nan 0.000 0.435 33 P HA 0.201 nan 4.420 nan 0.000 0.272 33 P C -1.262 176.010 177.300 -0.046 0.000 1.230 33 P CA -0.411 62.663 63.100 -0.043 0.000 0.788 33 P CB 0.952 32.622 31.700 -0.050 0.000 0.949 34 S N 0.852 116.521 115.700 -0.052 0.000 2.541 34 S HA 0.620 5.090 4.470 -0.000 0.000 0.280 34 S C -1.144 173.419 174.600 -0.062 0.000 1.112 34 S CA -0.822 57.348 58.200 -0.050 0.000 0.925 34 S CB 1.145 64.321 63.200 -0.041 0.000 1.067 34 S HN 0.306 nan 8.310 nan 0.000 0.479 35 L N 2.119 123.306 121.223 -0.061 0.000 2.307 35 L HA 0.623 4.963 4.340 -0.000 0.000 0.284 35 L C -1.307 175.534 176.870 -0.048 0.000 1.023 35 L CA -0.167 54.630 54.840 -0.071 0.000 0.810 35 L CB 1.285 43.289 42.059 -0.090 0.000 1.231 35 L HN 0.732 nan 8.230 nan 0.000 0.423 36 D N 4.883 125.257 120.400 -0.043 0.000 2.347 36 D HA 0.274 4.914 4.640 -0.000 0.000 0.235 36 D C -0.260 176.026 176.300 -0.022 0.000 1.149 36 D CA -0.209 53.780 54.000 -0.018 0.000 0.850 36 D CB 1.150 41.945 40.800 -0.008 0.000 1.061 36 D HN 0.245 nan 8.370 nan 0.000 0.487 37 L N 3.110 124.326 121.223 -0.011 0.000 2.439 37 L HA 0.114 4.454 4.340 -0.000 0.000 0.269 37 L C 0.816 177.685 176.870 -0.001 0.000 1.179 37 L CA -0.298 54.527 54.840 -0.024 0.000 0.828 37 L CB 0.401 42.453 42.059 -0.011 0.000 1.106 37 L HN 0.365 nan 8.230 nan 0.000 0.467 38 D N 1.296 121.671 120.400 -0.041 0.000 2.377 38 D HA -0.049 4.591 4.640 -0.000 0.000 0.245 38 D C 1.265 177.564 176.300 -0.001 0.000 1.196 38 D CA -0.383 53.598 54.000 -0.031 0.000 0.962 38 D CB 0.170 40.900 40.800 -0.116 0.000 1.127 38 D HN 0.660 nan 8.370 nan 0.000 0.471 39 W N 0.688 122.008 121.300 0.034 0.000 2.338 39 W HA -0.247 4.413 4.660 -0.000 0.000 0.304 39 W C 1.247 177.794 176.519 0.048 0.000 1.212 39 W CA 1.307 58.681 57.345 0.049 0.000 1.264 39 W CB -0.906 28.597 29.460 0.071 0.000 1.142 39 W HN 0.457 nan 8.180 nan 0.000 0.512 40 Q N 0.357 119.729 119.800 -0.714 0.000 2.167 40 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 40 Q C 1.966 177.859 176.000 -0.178 0.000 0.970 40 Q CA 1.158 56.603 55.803 -0.597 0.000 0.855 40 Q CB -0.880 27.303 28.738 -0.924 0.000 0.911 40 Q HN 0.362 nan 8.270 nan 0.000 0.438 41 Q N 1.445 121.149 119.800 -0.161 0.000 2.119 41 Q HA -0.100 4.240 4.340 -0.000 0.000 0.201 41 Q C 2.052 178.079 176.000 0.046 0.000 0.972 41 Q CA 1.430 57.189 55.803 -0.074 0.000 0.847 41 Q CB -0.292 28.362 28.738 -0.139 0.000 0.903 41 Q HN 0.632 nan 8.270 nan 0.000 0.433 42 Q N -0.479 119.363 119.800 0.070 0.000 2.291 42 Q HA -0.110 4.230 4.340 -0.000 0.000 0.206 42 Q C 2.239 178.335 176.000 0.159 0.000 0.976 42 Q CA 1.108 56.985 55.803 0.124 0.000 0.875 42 Q CB -0.185 28.632 28.738 0.133 0.000 0.927 42 Q HN 0.337 nan 8.270 nan 0.000 0.450 43 C N 0.552 119.954 119.300 0.169 0.000 2.508 43 C HA -0.088 4.372 4.460 -0.000 0.000 0.280 43 C C 2.507 177.602 174.990 0.175 0.000 1.262 43 C CA 0.741 59.867 59.018 0.179 0.000 1.706 43 C CB -0.576 27.283 27.740 0.198 0.000 2.078 43 C HN 0.523 nan 8.230 nan 0.000 0.480 44 E N 0.836 121.158 120.200 0.203 0.000 2.114 44 E HA -0.221 4.129 4.350 -0.000 0.000 0.199 44 E C 1.862 178.678 176.600 0.361 0.000 1.008 44 E CA 1.145 57.740 56.400 0.326 0.000 0.810 44 E CB -0.556 29.333 29.700 0.314 0.000 0.739 44 E HN 0.491 nan 8.360 nan 0.000 0.456 45 L N 1.001 122.428 121.223 0.339 0.000 2.017 45 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 45 L C 2.230 179.193 176.870 0.156 0.000 1.073 45 L CA 2.402 57.442 54.840 0.334 0.000 0.745 45 L CB -0.785 41.450 42.059 0.294 0.000 0.894 45 L HN 0.252 nan 8.230 nan 0.000 0.432 46 E N -0.988 119.292 120.200 0.133 0.000 2.051 46 E HA -0.250 4.100 4.350 -0.000 0.000 0.192 46 E C 2.155 178.764 176.600 0.016 0.000 0.991 46 E CA 1.589 58.039 56.400 0.084 0.000 0.799 46 E CB -0.086 29.687 29.700 0.121 0.000 0.748 46 E HN 0.462 nan 8.360 nan 0.000 0.449 47 M N 0.339 119.930 119.600 -0.016 0.000 2.080 47 M HA -0.185 4.295 4.480 -0.000 0.000 0.260 47 M C 2.559 178.690 176.300 -0.281 0.000 1.068 47 M CA 1.121 56.279 55.300 -0.237 0.000 1.109 47 M CB -0.831 31.494 32.600 -0.459 0.000 1.342 47 M HN 0.284 nan 8.290 nan 0.000 0.405 48 L N 0.128 121.315 121.223 -0.059 0.000 2.023 48 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 48 L C 2.488 179.321 176.870 -0.062 0.000 1.073 48 L CA 1.465 56.313 54.840 0.013 0.000 0.745 48 L CB -0.534 41.475 42.059 -0.084 0.000 0.900 48 L HN 0.181 nan 8.230 nan 0.000 0.435 49 M N -1.268 118.300 119.600 -0.053 0.000 2.426 49 M HA -0.217 4.263 4.480 -0.000 0.000 0.261 49 M C 1.484 177.757 176.300 -0.045 0.000 1.068 49 M CA 1.892 57.168 55.300 -0.040 0.000 1.066 49 M CB -0.131 32.468 32.600 -0.001 0.000 1.399 49 M HN 0.340 nan 8.290 nan 0.000 0.449 50 T N -1.945 112.570 114.554 -0.065 0.000 3.003 50 T HA 0.335 4.685 4.350 -0.000 0.000 0.261 50 T C 0.794 175.417 174.700 -0.129 0.000 1.003 50 T CA 0.737 62.788 62.100 -0.081 0.000 0.917 50 T CB 0.434 69.264 68.868 -0.063 0.000 1.084 50 T HN 0.596 nan 8.240 nan 0.000 0.522 51 G N 0.707 109.432 108.800 -0.125 0.000 2.184 51 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.206 51 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.206 51 G C 1.056 175.868 174.900 -0.146 0.000 0.995 51 G CA 0.157 45.192 45.100 -0.109 0.000 0.651 51 G HN 0.600 nan 8.290 nan 0.000 0.511 52 A N -0.616 122.051 122.820 -0.254 0.000 2.125 52 A HA 0.333 4.653 4.320 -0.000 0.000 0.219 52 A C 1.499 179.061 177.584 -0.037 0.000 1.156 52 A CA 1.917 53.783 52.037 -0.286 0.000 0.671 52 A CB -0.315 18.458 19.000 -0.378 0.000 0.794 52 A HN 0.767 nan 8.150 nan 0.000 0.459 53 Y N -0.040 120.351 120.300 0.152 0.000 2.660 53 Y HA 0.281 4.831 4.550 -0.000 0.000 0.254 53 Y C 0.739 176.819 175.900 0.300 0.000 1.176 53 Y CA -1.436 56.867 58.100 0.338 0.000 1.195 53 Y CB -0.676 37.953 38.460 0.282 0.000 1.190 53 Y HN 0.044 nan 8.280 nan 0.000 0.535 54 S N 4.189 120.076 115.700 0.312 0.000 2.593 54 S HA -0.038 4.432 4.470 -0.000 0.000 0.300 54 S C -1.471 173.364 174.600 0.392 0.000 1.267 54 S CA -0.322 58.014 58.200 0.227 0.000 1.065 54 S CB 0.584 63.871 63.200 0.145 0.000 0.807 54 S HN 0.271 nan 8.310 nan 0.000 0.499 55 P HA 0.122 nan 4.420 nan 0.000 0.251 55 P C 0.065 177.336 177.300 -0.048 0.000 1.223 55 P CA 0.049 63.167 63.100 0.030 0.000 0.796 55 P CB 0.108 31.782 31.700 -0.043 0.000 1.068 56 L N -0.137 121.019 121.223 -0.112 0.000 2.529 56 L HA 0.024 4.364 4.340 -0.000 0.000 0.287 56 L C 1.420 178.214 176.870 -0.127 0.000 1.241 56 L CA 1.065 55.775 54.840 -0.217 0.000 0.857 56 L CB -0.304 41.540 42.059 -0.358 0.000 1.113 56 L HN -0.005 nan 8.230 nan 0.000 0.504 57 T N 0.167 114.628 114.554 -0.156 0.000 3.326 57 T HA 0.371 4.721 4.350 -0.000 0.000 0.302 57 T C -0.091 174.518 174.700 -0.152 0.000 0.908 57 T CA 0.327 62.352 62.100 -0.126 0.000 0.933 57 T CB 0.098 68.913 68.868 -0.087 0.000 1.194 57 T HN 0.929 nan 8.240 nan 0.000 0.585 58 G N 0.338 109.012 108.800 -0.210 0.000 2.523 58 G HA2 0.507 4.467 3.960 -0.000 0.000 0.291 58 G HA3 0.507 4.467 3.960 -0.000 0.000 0.291 58 G C -1.649 173.087 174.900 -0.274 0.000 1.450 58 G CA -0.802 44.160 45.100 -0.230 0.000 0.790 58 G HN 0.146 nan 8.290 nan 0.000 0.496 59 F N 1.087 121.039 119.950 0.003 0.000 2.484 59 F HA 0.430 4.957 4.527 -0.000 0.000 0.360 59 F C 1.532 177.348 175.800 0.027 0.000 1.101 59 F CA -0.192 57.816 58.000 0.013 0.000 1.251 59 F CB 0.971 39.992 39.000 0.035 0.000 1.132 59 F HN 0.117 nan 8.300 nan 0.000 0.570 60 M N 1.613 121.332 119.600 0.199 0.000 2.219 60 M HA 0.078 4.558 4.480 -0.000 0.000 0.307 60 M C 0.390 176.829 176.300 0.231 0.000 1.116 60 M CA 0.655 56.028 55.300 0.121 0.000 1.181 60 M CB 0.427 33.058 32.600 0.052 0.000 1.410 60 M HN 0.580 nan 8.290 nan 0.000 0.454 61 T N 0.272 114.901 114.554 0.124 0.000 2.918 61 T HA 0.286 4.636 4.350 -0.000 0.000 0.286 61 T C 1.012 175.641 174.700 -0.119 0.000 1.026 61 T CA -0.615 61.540 62.100 0.092 0.000 1.031 61 T CB 1.343 70.225 68.868 0.022 0.000 1.046 61 T HN 0.640 nan 8.240 nan 0.000 0.479 62 R N 1.740 121.915 120.500 -0.542 0.000 2.154 62 R HA -0.187 4.153 4.340 -0.000 0.000 0.248 62 R C 2.124 178.166 176.300 -0.429 0.000 1.155 62 R CA 1.867 57.411 56.100 -0.927 0.000 0.979 62 R CB -0.490 28.868 30.300 -1.570 0.000 0.869 62 R HN 0.710 nan 8.270 nan 0.000 0.452 63 A N 0.778 123.425 122.820 -0.287 0.000 1.854 63 A HA -0.189 4.131 4.320 -0.000 0.000 0.214 63 A C 2.044 179.556 177.584 -0.119 0.000 1.192 63 A CA 1.173 53.103 52.037 -0.178 0.000 0.611 63 A CB -0.401 18.519 19.000 -0.133 0.000 0.832 63 A HN 0.436 nan 8.150 nan 0.000 0.442 64 Q N -0.661 119.082 119.800 -0.095 0.000 2.096 64 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 64 Q C 2.366 178.337 176.000 -0.047 0.000 0.982 64 Q CA 1.656 57.419 55.803 -0.066 0.000 0.850 64 Q CB -0.680 28.021 28.738 -0.062 0.000 0.901 64 Q HN 0.718 nan 8.270 nan 0.000 0.422 65 C N 0.848 120.127 119.300 -0.035 0.000 2.413 65 C HA -0.146 4.314 4.460 -0.000 0.000 0.277 65 C C 3.033 178.014 174.990 -0.016 0.000 1.228 65 C CA 0.921 59.946 59.018 0.011 0.000 1.731 65 C CB -1.278 26.502 27.740 0.067 0.000 2.042 65 C HN 0.671 nan 8.230 nan 0.000 0.468 66 A N 0.431 123.209 122.820 -0.070 0.000 1.940 66 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 66 A C 2.211 179.772 177.584 -0.038 0.000 1.176 66 A CA 2.006 54.004 52.037 -0.066 0.000 0.631 66 A CB -0.646 18.289 19.000 -0.108 0.000 0.814 66 A HN 0.692 nan 8.150 nan 0.000 0.446 67 R N -0.582 119.894 120.500 -0.040 0.000 2.148 67 R HA -0.033 4.307 4.340 -0.000 0.000 0.227 67 R C 1.739 178.038 176.300 -0.002 0.000 1.103 67 R CA 1.424 57.510 56.100 -0.023 0.000 0.983 67 R CB -0.372 29.910 30.300 -0.030 0.000 0.874 67 R HN 0.257 nan 8.270 nan 0.000 0.451 68 V N 1.888 121.806 119.914 0.006 0.000 2.270 68 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 68 V C 1.740 177.851 176.094 0.029 0.000 1.043 68 V CA 2.062 64.382 62.300 0.032 0.000 1.014 68 V CB -0.393 31.477 31.823 0.077 0.000 0.645 68 V HN 0.442 nan 8.190 nan 0.000 0.447 69 E N 0.073 120.288 120.200 0.025 0.000 2.501 69 E HA -0.124 4.226 4.350 -0.000 0.000 0.203 69 E C 1.791 178.402 176.600 0.019 0.000 1.072 69 E CA 1.217 57.631 56.400 0.023 0.000 0.885 69 E CB -0.053 29.657 29.700 0.017 0.000 0.813 69 E HN 0.622 nan 8.360 nan 0.000 0.556 70 S N 0.472 116.183 115.700 0.018 0.000 3.226 70 S HA 0.215 4.685 4.470 -0.000 0.000 0.195 70 S C 1.833 176.453 174.600 0.033 0.000 0.793 70 S CA 0.188 58.399 58.200 0.019 0.000 0.816 70 S CB 0.094 63.298 63.200 0.007 0.000 0.847 70 S HN 0.284 nan 8.310 nan 0.000 0.630 71 A N 0.478 123.319 122.820 0.034 0.000 2.238 71 A HA 0.283 4.603 4.320 -0.000 0.000 0.210 71 A C 0.374 178.003 177.584 0.075 0.000 1.179 71 A CA 0.089 52.158 52.037 0.053 0.000 0.827 71 A CB -0.499 18.527 19.000 0.043 0.000 0.856 71 A HN 0.516 nan 8.150 nan 0.000 0.488 72 Q N -0.526 119.301 119.800 0.046 0.000 2.453 72 Q HA -0.207 4.133 4.340 -0.000 0.000 0.330 72 Q C -0.808 175.183 176.000 -0.015 0.000 1.417 72 Q CA 0.916 56.717 55.803 -0.003 0.000 0.902 72 Q CB -1.528 27.232 28.738 0.036 0.000 1.154 72 Q HN 0.872 nan 8.270 nan 0.000 0.395 73 Q N -0.537 119.276 119.800 0.022 0.000 2.495 73 Q HA 0.614 4.954 4.340 -0.000 0.000 0.287 73 Q C -0.695 175.319 176.000 0.024 0.000 1.078 73 Q CA -1.149 54.681 55.803 0.046 0.000 0.793 73 Q CB 1.317 30.092 28.738 0.062 0.000 1.459 73 Q HN 0.060 nan 8.270 nan 0.000 0.422 74 L N 0.706 121.942 121.223 0.022 0.000 2.744 74 L HA 0.126 4.466 4.340 -0.000 0.000 0.218 74 L C 1.135 177.987 176.870 -0.030 0.000 1.190 74 L CA 0.483 55.298 54.840 -0.041 0.000 0.869 74 L CB 0.133 42.151 42.059 -0.067 0.000 1.652 74 L HN 0.671 nan 8.230 nan 0.000 0.519 75 D N -0.511 119.860 120.400 -0.047 0.000 2.219 75 D HA -0.125 4.515 4.640 -0.000 0.000 0.205 75 D C 1.240 177.528 176.300 -0.020 0.000 0.970 75 D CA 0.926 54.905 54.000 -0.034 0.000 0.851 75 D CB 0.048 40.823 40.800 -0.042 0.000 0.943 75 D HN 0.463 nan 8.370 nan 0.000 0.488 76 D N -0.428 119.960 120.400 -0.020 0.000 2.264 76 D HA 0.033 4.673 4.640 -0.000 0.000 0.208 76 D C 1.796 178.103 176.300 0.012 0.000 0.966 76 D CA 1.218 55.213 54.000 -0.008 0.000 0.864 76 D CB -0.163 40.629 40.800 -0.014 0.000 0.933 76 D HN 0.285 nan 8.370 nan 0.000 0.499 77 G N 0.138 108.952 108.800 0.023 0.000 2.176 77 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.253 77 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.253 77 G C 0.517 175.469 174.900 0.087 0.000 0.979 77 G CA 0.493 45.622 45.100 0.048 0.000 0.641 77 G HN 0.538 nan 8.290 nan 0.000 0.530 78 S N -0.040 115.709 115.700 0.080 0.000 2.566 78 S HA 0.446 4.916 4.470 -0.000 0.000 0.280 78 S C 0.192 174.931 174.600 0.233 0.000 1.343 78 S CA -0.030 58.250 58.200 0.132 0.000 1.036 78 S CB 1.126 64.361 63.200 0.059 0.000 0.866 78 S HN 1.380 nan 8.310 nan 0.000 0.526 79 F N 3.193 123.269 119.950 0.210 0.000 2.443 79 F HA 0.521 5.048 4.527 -0.000 0.000 0.353 79 F C -0.223 175.820 175.800 0.406 0.000 1.101 79 F CA -0.526 57.624 58.000 0.250 0.000 1.226 79 F CB 0.486 39.603 39.000 0.195 0.000 1.140 79 F HN 0.716 nan 8.300 nan 0.000 0.557 80 W N 10.298 130.948 121.300 -1.082 0.000 3.423 80 W HA 0.210 4.870 4.660 -0.000 0.000 0.330 80 W C -2.420 173.597 176.519 -0.836 0.000 1.102 80 W CA -1.741 55.128 57.345 -0.794 0.000 1.261 80 W CB 2.028 31.334 29.460 -0.257 0.000 1.283 80 W HN 0.416 nan 8.180 nan 0.000 0.447 81 P HA -0.085 nan 4.420 nan 0.000 0.217 81 P C 0.387 177.570 177.300 -0.194 0.000 1.150 81 P CA 1.167 63.968 63.100 -0.499 0.000 0.832 81 P CB 0.846 32.343 31.700 -0.338 0.000 0.787 82 S N -1.293 114.333 115.700 -0.124 0.000 2.536 82 S HA 0.522 4.992 4.470 -0.000 0.000 0.271 82 S C -3.011 171.770 174.600 0.302 0.000 1.134 82 S CA -1.761 56.490 58.200 0.084 0.000 0.897 82 S CB 1.326 64.522 63.200 -0.008 0.000 1.094 82 S HN -0.276 nan 8.310 nan 0.000 0.473 83 P HA 0.189 nan 4.420 nan 0.000 0.265 83 P C -0.816 176.574 177.300 0.149 0.000 1.222 83 P CA -0.115 63.082 63.100 0.162 0.000 0.767 83 P CB -0.071 31.716 31.700 0.145 0.000 0.801 84 I N 3.703 124.332 120.570 0.099 0.000 2.301 84 I HA 0.324 4.494 4.170 -0.000 0.000 0.292 84 I C 0.824 177.087 176.117 0.243 0.000 1.046 84 I CA 0.338 61.690 61.300 0.086 0.000 1.282 84 I CB 0.299 38.237 38.000 -0.104 0.000 1.409 84 I HN 0.234 nan 8.210 nan 0.000 0.484 85 T N 7.009 121.723 114.554 0.268 0.000 2.894 85 T HA 0.476 4.826 4.350 -0.000 0.000 0.309 85 T C -1.320 173.277 174.700 -0.172 0.000 1.208 85 T CA -0.516 61.700 62.100 0.193 0.000 1.016 85 T CB 1.772 70.773 68.868 0.222 0.000 1.192 85 T HN 0.350 nan 8.240 nan 0.000 0.491 86 L N 3.802 124.650 121.223 -0.625 0.000 2.295 86 L HA 0.794 5.134 4.340 -0.000 0.000 0.285 86 L C 0.392 176.887 176.870 -0.625 0.000 1.035 86 L CA 0.044 54.329 54.840 -0.926 0.000 0.806 86 L CB 0.576 41.620 42.059 -1.691 0.000 1.214 86 L HN 1.115 nan 8.230 nan 0.000 0.426 87 T N 1.578 115.825 114.554 -0.512 0.000 2.910 87 T HA 0.696 5.046 4.350 -0.000 0.000 0.287 87 T C -0.420 174.111 174.700 -0.282 0.000 1.050 87 T CA -0.444 61.373 62.100 -0.470 0.000 1.011 87 T CB 1.587 70.153 68.868 -0.502 0.000 1.195 87 T HN 0.558 nan 8.240 nan 0.000 0.540 88 S N -1.058 114.535 115.700 -0.178 0.000 2.645 88 S HA 0.495 4.965 4.470 -0.000 0.000 0.268 88 S C -0.984 173.624 174.600 0.012 0.000 1.110 88 S CA -0.121 58.021 58.200 -0.097 0.000 0.823 88 S CB 0.848 63.980 63.200 -0.113 0.000 1.091 88 S HN 1.008 nan 8.310 nan 0.000 0.466 89 R N 1.358 121.869 120.500 0.019 0.000 2.549 89 R HA 0.275 4.615 4.340 -0.000 0.000 0.344 89 R C -0.292 176.043 176.300 0.058 0.000 0.979 89 R CA -0.348 55.818 56.100 0.110 0.000 1.140 89 R CB -1.025 29.315 30.300 0.067 0.000 1.377 89 R HN 0.560 nan 8.270 nan 0.000 0.541 90 D N 2.235 122.604 120.400 -0.052 0.000 2.488 90 D HA 0.020 4.660 4.640 -0.000 0.000 0.238 90 D C 1.129 177.280 176.300 -0.248 0.000 1.138 90 D CA 0.504 54.429 54.000 -0.125 0.000 0.873 90 D CB 1.126 41.836 40.800 -0.150 0.000 1.183 90 D HN 0.309 nan 8.370 nan 0.000 0.458 91 R N 2.809 123.194 120.500 -0.191 0.000 2.323 91 R HA 0.276 4.616 4.340 -0.000 0.000 0.198 91 R C 1.702 177.811 176.300 -0.320 0.000 0.988 91 R CA 1.175 57.130 56.100 -0.242 0.000 1.041 91 R CB -0.751 29.496 30.300 -0.089 0.000 0.926 91 R HN 0.554 nan 8.270 nan 0.000 0.476 92 A N -0.122 122.518 122.820 -0.299 0.000 2.278 92 A HA 0.379 4.699 4.320 -0.000 0.000 0.212 92 A C 1.719 179.093 177.584 -0.350 0.000 1.213 92 A CA 0.252 52.135 52.037 -0.257 0.000 0.840 92 A CB -0.023 18.874 19.000 -0.172 0.000 0.866 92 A HN 0.421 nan 8.150 nan 0.000 0.489 93 L N -1.831 119.028 121.223 -0.607 0.000 2.616 93 L HA 0.171 4.511 4.340 -0.000 0.000 0.229 93 L C 2.429 178.757 176.870 -0.903 0.000 1.110 93 L CA 0.652 55.049 54.840 -0.739 0.000 0.884 93 L CB 0.018 41.549 42.059 -0.879 0.000 1.115 93 L HN 0.343 nan 8.230 nan 0.000 0.481 94 A N 0.476 122.747 122.820 -0.914 0.000 2.119 94 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 94 A C 0.946 178.497 177.584 -0.056 0.000 1.153 94 A CA 1.260 53.104 52.037 -0.321 0.000 0.692 94 A CB -0.319 18.632 19.000 -0.082 0.000 0.799 94 A HN 0.499 nan 8.150 nan 0.000 0.458 95 D N -1.319 119.000 120.400 -0.134 0.000 2.892 95 D HA 0.342 4.982 4.640 -0.000 0.000 0.291 95 D C 0.075 176.341 176.300 -0.057 0.000 1.341 95 D CA -0.285 53.682 54.000 -0.056 0.000 0.844 95 D CB -0.223 40.544 40.800 -0.055 0.000 1.093 95 D HN 0.232 nan 8.370 nan 0.000 0.480 96 R N -0.854 119.614 120.500 -0.053 0.000 2.854 96 R HA 0.878 5.218 4.340 -0.000 0.000 0.271 96 R C -0.778 175.533 176.300 0.018 0.000 0.994 96 R CA -0.544 55.534 56.100 -0.037 0.000 0.945 96 R CB 1.534 31.786 30.300 -0.079 0.000 1.194 96 R HN 0.191 nan 8.270 nan 0.000 0.476 97 R N 2.217 122.732 120.500 0.025 0.000 2.643 97 R HA 0.465 4.805 4.340 -0.000 0.000 0.269 97 R C -2.926 173.403 176.300 0.048 0.000 1.037 97 R CA -1.750 54.380 56.100 0.050 0.000 0.894 97 R CB 0.251 30.578 30.300 0.043 0.000 1.238 97 R HN 0.545 nan 8.270 nan 0.000 0.459 98 P HA 0.133 nan 4.420 nan 0.000 0.269 98 P C 1.177 178.500 177.300 0.038 0.000 1.200 98 P CA 2.390 65.525 63.100 0.057 0.000 0.779 98 P CB 0.681 32.416 31.700 0.059 0.000 0.841 99 G N 0.275 109.095 108.800 0.033 0.000 2.640 99 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.226 99 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.226 99 G C 0.004 174.914 174.900 0.017 0.000 1.222 99 G CA -0.084 45.029 45.100 0.022 0.000 0.729 99 G HN 0.614 nan 8.290 nan 0.000 0.516 100 E N 1.401 121.610 120.200 0.016 0.000 2.481 100 E HA 0.294 4.644 4.350 -0.000 0.000 0.263 100 E C 0.417 177.023 176.600 0.010 0.000 0.992 100 E CA 0.377 56.782 56.400 0.008 0.000 0.938 100 E CB 0.442 30.144 29.700 0.003 0.000 0.933 100 E HN 0.460 nan 8.360 nan 0.000 0.453 101 R N 2.026 122.528 120.500 0.003 0.000 2.393 101 R HA 0.410 4.750 4.340 -0.000 0.000 0.310 101 R C -0.455 175.842 176.300 -0.006 0.000 0.968 101 R CA -0.545 55.557 56.100 0.003 0.000 0.867 101 R CB 1.010 31.311 30.300 0.001 0.000 1.124 101 R HN 0.371 nan 8.270 nan 0.000 0.450 102 L N 2.109 123.330 121.223 -0.003 0.000 2.317 102 L HA 0.569 4.909 4.340 -0.000 0.000 0.281 102 L C -0.353 176.509 176.870 -0.013 0.000 1.024 102 L CA -0.744 54.087 54.840 -0.015 0.000 0.810 102 L CB 1.761 43.808 42.059 -0.019 0.000 1.240 102 L HN 0.724 nan 8.230 nan 0.000 0.427 103 A N 6.027 128.832 122.820 -0.024 0.000 2.320 103 A HA 0.546 4.866 4.320 -0.000 0.000 0.287 103 A C -0.598 176.971 177.584 -0.024 0.000 1.181 103 A CA -0.411 51.610 52.037 -0.027 0.000 0.831 103 A CB 0.149 19.127 19.000 -0.037 0.000 1.102 103 A HN 0.665 nan 8.150 nan 0.000 0.513 104 L N 3.486 124.702 121.223 -0.012 0.000 2.289 104 L HA 0.646 4.986 4.340 -0.000 0.000 0.285 104 L C 0.324 177.189 176.870 -0.008 0.000 1.049 104 L CA -0.405 54.434 54.840 -0.002 0.000 0.804 104 L CB 1.064 43.144 42.059 0.034 0.000 1.195 104 L HN 0.896 nan 8.230 nan 0.000 0.428 105 R N 0.105 120.606 120.500 0.002 0.000 2.764 105 R HA 0.558 4.898 4.340 -0.000 0.000 0.270 105 R C -0.744 175.590 176.300 0.056 0.000 1.014 105 R CA -0.806 55.305 56.100 0.018 0.000 0.904 105 R CB 0.721 31.020 30.300 -0.001 0.000 1.236 105 R HN 0.586 nan 8.270 nan 0.000 0.466 106 D N -0.018 120.448 120.400 0.110 0.000 2.369 106 D HA 0.198 4.838 4.640 -0.000 0.000 0.241 106 D C 1.383 177.732 176.300 0.081 0.000 1.271 106 D CA 0.104 54.170 54.000 0.110 0.000 0.942 106 D CB 0.173 41.058 40.800 0.142 0.000 1.129 106 D HN 0.634 nan 8.370 nan 0.000 0.476 107 G N -1.140 107.707 108.800 0.078 0.000 2.516 107 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.221 107 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.221 107 G C 0.720 175.654 174.900 0.055 0.000 1.107 107 G CA 0.935 46.075 45.100 0.065 0.000 0.747 107 G HN 0.579 nan 8.290 nan 0.000 0.567 108 E N -0.130 120.109 120.200 0.066 0.000 2.585 108 E HA 0.258 4.608 4.350 -0.000 0.000 0.206 108 E C 1.464 178.111 176.600 0.078 0.000 1.007 108 E CA 0.115 56.551 56.400 0.059 0.000 1.028 108 E CB -0.046 29.683 29.700 0.047 0.000 1.087 108 E HN 0.320 nan 8.360 nan 0.000 0.455 109 G N 1.626 110.468 108.800 0.071 0.000 2.166 109 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.260 109 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.260 109 G C 0.030 174.982 174.900 0.087 0.000 0.986 109 G CA 0.614 45.748 45.100 0.057 0.000 0.683 109 G HN 0.445 nan 8.290 nan 0.000 0.527 110 Y N 0.384 120.681 120.300 -0.006 0.000 2.377 110 Y HA 0.538 5.088 4.550 -0.000 0.000 0.330 110 Y C 0.730 176.626 175.900 -0.007 0.000 1.108 110 Y CA -0.540 57.555 58.100 -0.008 0.000 1.308 110 Y CB 0.586 39.039 38.460 -0.011 0.000 1.216 110 Y HN 0.366 nan 8.280 nan 0.000 0.518 111 M N 7.135 126.434 119.600 -0.501 0.000 2.180 111 M HA 0.306 4.786 4.480 -0.000 0.000 0.358 111 M C -1.353 174.730 176.300 -0.362 0.000 1.233 111 M CA 0.576 55.672 55.300 -0.340 0.000 1.114 111 M CB 0.568 33.001 32.600 -0.278 0.000 1.594 111 M HN 0.825 nan 8.290 nan 0.000 0.467 112 L N 3.408 124.553 121.223 -0.131 0.000 2.515 112 L HA 0.764 5.104 4.340 -0.000 0.000 0.202 112 L C 0.529 177.383 176.870 -0.028 0.000 1.056 112 L CA 0.195 55.010 54.840 -0.042 0.000 0.847 112 L CB 0.019 42.102 42.059 0.040 0.000 1.131 112 L HN 0.895 nan 8.230 nan 0.000 0.484 113 A N 0.481 123.291 122.820 -0.017 0.000 2.597 113 A HA 0.590 4.910 4.320 -0.000 0.000 0.292 113 A C -1.868 175.718 177.584 0.003 0.000 1.057 113 A CA -0.537 51.500 52.037 0.000 0.000 0.674 113 A CB 1.032 20.052 19.000 0.032 0.000 1.278 113 A HN 0.122 nan 8.150 nan 0.000 0.416 114 I N -0.402 120.171 120.570 0.005 0.000 2.377 114 I HA 0.769 4.939 4.170 -0.000 0.000 0.293 114 I C -0.701 175.436 176.117 0.033 0.000 0.987 114 I CA -0.729 60.577 61.300 0.010 0.000 1.185 114 I CB 1.376 39.373 38.000 -0.004 0.000 1.341 114 I HN 0.582 nan 8.210 nan 0.000 0.455 115 L N 6.346 127.597 121.223 0.047 0.000 2.276 115 L HA 0.570 4.910 4.340 -0.000 0.000 0.286 115 L C -0.066 176.834 176.870 0.050 0.000 1.061 115 L CA 0.480 55.365 54.840 0.075 0.000 0.807 115 L CB 1.056 43.175 42.059 0.100 0.000 1.177 115 L HN 0.821 nan 8.230 nan 0.000 0.429 116 T N 6.605 121.189 114.554 0.050 0.000 2.794 116 T HA 0.352 4.702 4.350 -0.000 0.000 0.304 116 T C 0.385 175.118 174.700 0.054 0.000 0.973 116 T CA -0.420 61.703 62.100 0.039 0.000 0.972 116 T CB -0.215 68.668 68.868 0.027 0.000 0.952 116 T HN 0.452 nan 8.240 nan 0.000 0.509 117 L N 2.996 124.250 121.223 0.053 0.000 2.615 117 L HA 0.011 4.351 4.340 -0.000 0.000 0.271 117 L C 1.475 178.391 176.870 0.076 0.000 1.183 117 L CA -0.045 54.837 54.840 0.071 0.000 0.933 117 L CB 0.294 42.389 42.059 0.060 0.000 1.199 117 L HN 0.699 nan 8.230 nan 0.000 0.487 118 S N 1.215 116.974 115.700 0.099 0.000 2.404 118 S HA -0.002 4.468 4.470 -0.000 0.000 0.223 118 S C 0.309 174.978 174.600 0.115 0.000 1.040 118 S CA 0.506 58.761 58.200 0.092 0.000 0.957 118 S CB 0.156 63.412 63.200 0.094 0.000 0.826 118 S HN 0.750 nan 8.310 nan 0.000 0.491 119 D N -0.464 120.047 120.400 0.185 0.000 2.655 119 D HA 0.483 5.123 4.640 -0.000 0.000 0.229 119 D C -1.786 174.740 176.300 0.375 0.000 1.229 119 D CA -0.315 53.837 54.000 0.252 0.000 0.807 119 D CB 2.189 43.133 40.800 0.239 0.000 1.514 119 D HN -0.068 nan 8.370 nan 0.000 0.444 120 V N 3.235 123.396 119.914 0.412 0.000 2.612 120 V HA 0.737 4.857 4.120 -0.000 0.000 0.301 120 V C -0.937 175.465 176.094 0.512 0.000 1.059 120 V CA -0.705 61.834 62.300 0.398 0.000 0.886 120 V CB 1.516 33.489 31.823 0.250 0.000 1.007 120 V HN 0.667 nan 8.190 nan 0.000 0.426 121 W N 3.372 124.756 121.300 0.139 0.000 3.025 121 W HA 0.915 5.575 4.660 -0.000 0.000 0.343 121 W C -0.719 175.680 176.519 -0.199 0.000 1.246 121 W CA -0.489 56.854 57.345 -0.004 0.000 1.178 121 W CB 1.363 30.788 29.460 -0.058 0.000 1.463 121 W HN 0.667 nan 8.180 nan 0.000 0.578 122 K N -0.091 120.118 120.400 -0.317 0.000 2.385 122 K HA 0.796 5.116 4.320 -0.000 0.000 0.248 122 K C -1.274 175.163 176.600 -0.272 0.000 0.955 122 K CA -0.111 55.770 56.287 -0.676 0.000 0.816 122 K CB 1.008 32.822 32.500 -1.144 0.000 1.250 122 K HN 1.440 nan 8.250 nan 0.000 0.434 123 D N -0.043 120.197 120.400 -0.267 0.000 2.591 123 D HA 0.666 5.306 4.640 -0.000 0.000 0.222 123 D C 0.605 176.839 176.300 -0.111 0.000 1.360 123 D CA 0.542 54.466 54.000 -0.128 0.000 0.967 123 D CB 0.376 41.135 40.800 -0.067 0.000 1.456 123 D HN 1.986 nan 8.370 nan 0.000 0.588 124 G N -0.224 108.516 108.800 -0.100 0.000 2.693 124 G HA2 0.247 4.207 3.960 -0.000 0.000 0.226 124 G HA3 0.247 4.207 3.960 -0.000 0.000 0.226 124 G C 1.231 176.074 174.900 -0.094 0.000 1.354 124 G CA 0.947 46.004 45.100 -0.071 0.000 0.873 124 G HN 1.773 nan 8.290 nan 0.000 0.562 125 E N -0.879 119.290 120.200 -0.052 0.000 2.333 125 E HA 0.338 4.688 4.350 -0.000 0.000 0.200 125 E C 1.714 178.292 176.600 -0.038 0.000 1.010 125 E CA 2.923 59.302 56.400 -0.035 0.000 0.841 125 E CB -0.542 29.156 29.700 -0.003 0.000 0.757 125 E HN 2.141 nan 8.360 nan 0.000 0.508 126 R N -1.138 119.317 120.500 -0.075 0.000 2.837 126 R HA 0.605 4.945 4.340 -0.000 0.000 0.271 126 R C -0.901 175.345 176.300 -0.090 0.000 0.993 126 R CA -0.467 55.624 56.100 -0.016 0.000 0.931 126 R CB 0.691 30.981 30.300 -0.016 0.000 1.206 126 R HN 0.432 nan 8.270 nan 0.000 0.474 127 W N 1.383 122.600 121.300 -0.138 0.000 2.381 127 W HA 0.470 5.130 4.660 -0.000 0.000 0.329 127 W C -0.596 175.705 176.519 -0.362 0.000 1.157 127 W CA -0.045 57.180 57.345 -0.200 0.000 1.240 127 W CB 1.708 31.058 29.460 -0.183 0.000 1.199 127 W HN 0.743 nan 8.180 nan 0.000 0.579 128 H N 1.692 120.417 119.070 -0.575 0.000 2.569 128 H HA 0.590 5.146 4.556 -0.000 0.000 0.357 128 H C -0.287 174.632 175.328 -0.681 0.000 1.153 128 H CA -0.313 55.202 56.048 -0.889 0.000 1.193 128 H CB 1.692 30.317 29.762 -1.895 0.000 1.602 128 H HN 0.094 nan 8.280 nan 0.000 0.523 129 L N 1.001 121.998 121.223 -0.376 0.000 2.350 129 L HA 0.897 5.237 4.340 -0.000 0.000 0.260 129 L C -0.663 176.234 176.870 0.045 0.000 1.015 129 L CA -1.212 53.549 54.840 -0.131 0.000 0.821 129 L CB 2.177 44.150 42.059 -0.144 0.000 1.370 129 L HN 0.687 nan 8.230 nan 0.000 0.416 130 A N 0.532 123.464 122.820 0.186 0.000 2.572 130 A HA 0.998 5.318 4.320 -0.000 0.000 0.295 130 A C -0.501 177.208 177.584 0.209 0.000 1.072 130 A CA -0.047 52.154 52.037 0.273 0.000 0.691 130 A CB 2.048 21.256 19.000 0.346 0.000 1.291 130 A HN 1.096 nan 8.150 nan 0.000 0.404 131 G N 0.224 109.139 108.800 0.192 0.000 2.326 131 G HA2 0.408 4.368 3.960 -0.000 0.000 0.413 131 G HA3 0.408 4.368 3.960 -0.000 0.000 0.413 131 G C -1.247 173.706 174.900 0.088 0.000 1.444 131 G CA -0.970 44.203 45.100 0.121 0.000 1.002 131 G HN 0.764 nan 8.290 nan 0.000 0.649 132 E N -0.898 119.325 120.200 0.039 0.000 2.415 132 E HA 0.381 4.731 4.350 -0.000 0.000 0.262 132 E C 0.273 176.881 176.600 0.014 0.000 1.038 132 E CA -0.007 56.395 56.400 0.002 0.000 0.921 132 E CB 1.622 31.318 29.700 -0.007 0.000 0.950 132 E HN 0.506 nan 8.360 nan 0.000 0.438 133 V N 2.434 122.335 119.914 -0.022 0.000 2.555 133 V HA 0.260 4.380 4.120 -0.000 0.000 0.302 133 V C -0.163 175.922 176.094 -0.014 0.000 1.038 133 V CA -0.626 61.671 62.300 -0.005 0.000 0.887 133 V CB 1.830 33.626 31.823 -0.044 0.000 0.991 133 V HN 0.541 nan 8.190 nan 0.000 0.434 134 E N 2.272 122.472 120.200 -0.000 0.000 2.185 134 E HA 0.584 4.934 4.350 -0.000 0.000 0.261 134 E C -0.081 176.516 176.600 -0.005 0.000 0.879 134 E CA -0.409 55.986 56.400 -0.008 0.000 0.756 134 E CB 2.141 31.836 29.700 -0.008 0.000 1.152 134 E HN 0.860 nan 8.360 nan 0.000 0.416 135 G N 1.237 110.031 108.800 -0.009 0.000 2.367 135 G HA2 0.478 4.438 3.960 -0.000 0.000 0.314 135 G HA3 0.478 4.438 3.960 -0.000 0.000 0.314 135 G C 0.285 175.177 174.900 -0.012 0.000 1.130 135 G CA -0.190 44.907 45.100 -0.005 0.000 0.864 135 G HN 0.563 nan 8.290 nan 0.000 0.486 136 A N 1.666 124.473 122.820 -0.021 0.000 1.938 136 A HA 0.792 5.112 4.320 -0.000 0.000 0.207 136 A C 1.298 178.873 177.584 -0.014 0.000 1.292 136 A CA 1.410 53.428 52.037 -0.032 0.000 0.700 136 A CB -0.132 18.826 19.000 -0.069 0.000 0.947 136 A HN 1.650 nan 8.150 nan 0.000 0.476 137 A N -0.842 121.974 122.820 -0.007 0.000 2.498 137 A HA 0.663 4.983 4.320 -0.000 0.000 0.298 137 A C -1.217 176.424 177.584 0.095 0.000 1.075 137 A CA -0.590 51.484 52.037 0.062 0.000 0.714 137 A CB 0.704 19.765 19.000 0.103 0.000 1.299 137 A HN 0.282 nan 8.150 nan 0.000 0.407 138 L N 0.799 122.089 121.223 0.110 0.000 2.379 138 L HA 0.513 4.853 4.340 -0.000 0.000 0.269 138 L C -2.258 174.656 176.870 0.074 0.000 1.084 138 L CA -1.786 53.107 54.840 0.088 0.000 0.802 138 L CB -0.312 41.794 42.059 0.078 0.000 1.175 138 L HN 0.356 nan 8.230 nan 0.000 0.448 139 P HA 0.006 nan 4.420 nan 0.000 0.261 139 P C -2.452 174.615 177.300 -0.388 0.000 1.165 139 P CA -0.400 62.611 63.100 -0.148 0.000 0.759 139 P CB -0.393 31.188 31.700 -0.199 0.000 0.772 140 P HA 0.082 nan 4.420 nan 0.000 0.271 140 P C -0.642 176.421 177.300 -0.396 0.000 1.220 140 P CA 0.679 63.565 63.100 -0.356 0.000 0.768 140 P CB 0.397 31.845 31.700 -0.420 0.000 0.848 141 H N 3.714 122.759 119.070 -0.043 0.000 2.761 141 H HA 0.196 4.752 4.556 -0.000 0.000 0.263 141 H C -1.846 173.469 175.328 -0.022 0.000 1.292 141 H CA -1.456 54.578 56.048 -0.024 0.000 1.540 141 H CB 0.977 30.726 29.762 -0.021 0.000 1.569 141 H HN 0.303 nan 8.280 nan 0.000 0.510 142 P HA -0.099 nan 4.420 nan 0.000 0.219 142 P C 0.285 177.594 177.300 0.016 0.000 1.150 142 P CA 0.883 64.002 63.100 0.032 0.000 0.814 142 P CB 0.455 32.162 31.700 0.011 0.000 0.787 143 D N -0.336 120.068 120.400 0.007 0.000 2.256 143 D HA 0.026 4.666 4.640 -0.000 0.000 0.250 143 D C -0.073 176.150 176.300 -0.127 0.000 1.093 143 D CA -0.742 53.151 54.000 -0.178 0.000 0.882 143 D CB 0.531 41.197 40.800 -0.224 0.000 1.185 143 D HN -0.006 nan 8.370 nan 0.000 0.437 144 F N 0.201 120.177 119.950 0.044 0.000 3.084 144 F HA -0.273 4.254 4.527 -0.000 0.000 0.286 144 F C 1.801 177.586 175.800 -0.026 0.000 0.855 144 F CA -0.183 57.813 58.000 -0.008 0.000 1.091 144 F CB -2.384 36.583 39.000 -0.056 0.000 1.177 144 F HN 0.274 nan 8.300 nan 0.000 0.542 145 V N 0.353 120.344 119.914 0.127 0.000 2.252 145 V HA -0.464 3.656 4.120 -0.000 0.000 0.255 145 V C 2.215 178.347 176.094 0.063 0.000 1.071 145 V CA 2.924 65.271 62.300 0.079 0.000 1.050 145 V CB -0.797 31.059 31.823 0.056 0.000 0.654 145 V HN 0.720 nan 8.190 nan 0.000 0.448 146 S N 0.023 115.765 115.700 0.071 0.000 2.359 146 S HA -0.227 4.243 4.470 -0.000 0.000 0.223 146 S C 1.857 176.462 174.600 0.008 0.000 1.039 146 S CA 1.962 60.183 58.200 0.034 0.000 1.042 146 S CB -0.769 62.455 63.200 0.040 0.000 0.915 146 S HN 0.528 nan 8.310 nan 0.000 0.439 147 L N 0.713 121.947 121.223 0.018 0.000 2.362 147 L HA 0.064 4.404 4.340 -0.000 0.000 0.219 147 L C 0.927 177.763 176.870 -0.058 0.000 1.134 147 L CA 0.549 55.362 54.840 -0.045 0.000 0.807 147 L CB -0.304 41.693 42.059 -0.104 0.000 0.927 147 L HN 0.135 nan 8.230 nan 0.000 0.447 148 R N 0.819 121.302 120.500 -0.028 0.000 2.205 148 R HA 0.507 4.847 4.340 -0.000 0.000 0.342 148 R C -0.259 176.033 176.300 -0.013 0.000 1.058 148 R CA -0.208 55.865 56.100 -0.044 0.000 0.904 148 R CB 0.921 31.187 30.300 -0.057 0.000 1.089 148 R HN 0.006 nan 8.270 nan 0.000 0.471 149 A N 2.148 124.974 122.820 0.009 0.000 2.340 149 A HA 0.487 4.807 4.320 -0.000 0.000 0.331 149 A C 0.238 177.908 177.584 0.144 0.000 1.140 149 A CA -0.765 51.295 52.037 0.038 0.000 0.801 149 A CB 1.131 20.120 19.000 -0.019 0.000 1.234 149 A HN 0.687 nan 8.150 nan 0.000 0.469 150 T N 0.113 114.713 114.554 0.076 0.000 2.828 150 T HA 0.382 4.732 4.350 -0.000 0.000 0.290 150 T C -1.941 172.747 174.700 -0.019 0.000 1.019 150 T CA -1.222 60.903 62.100 0.043 0.000 1.031 150 T CB 0.547 69.398 68.868 -0.028 0.000 1.001 150 T HN 0.286 nan 8.240 nan 0.000 0.531 151 P HA -0.129 nan 4.420 nan 0.000 0.216 151 P C 1.649 178.823 177.300 -0.209 0.000 1.154 151 P CA 1.713 64.471 63.100 -0.569 0.000 0.865 151 P CB -0.301 30.914 31.700 -0.807 0.000 0.789 152 A N -0.306 122.422 122.820 -0.154 0.000 1.873 152 A HA -0.235 4.085 4.320 -0.000 0.000 0.215 152 A C 2.182 179.715 177.584 -0.085 0.000 1.186 152 A CA 1.730 53.712 52.037 -0.093 0.000 0.616 152 A CB -1.253 17.705 19.000 -0.070 0.000 0.823 152 A HN 0.159 nan 8.150 nan 0.000 0.442 153 E N -0.376 119.777 120.200 -0.079 0.000 2.058 153 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 153 E C 2.017 178.522 176.600 -0.158 0.000 0.997 153 E CA 1.143 57.490 56.400 -0.089 0.000 0.801 153 E CB -0.257 29.407 29.700 -0.060 0.000 0.746 153 E HN 0.576 nan 8.360 nan 0.000 0.450 154 L N 0.638 121.757 121.223 -0.174 0.000 2.046 154 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 154 L C 2.536 179.057 176.870 -0.582 0.000 1.077 154 L CA 1.334 55.931 54.840 -0.404 0.000 0.747 154 L CB -0.144 41.768 42.059 -0.244 0.000 0.896 154 L HN 0.117 nan 8.230 nan 0.000 0.432 155 R N -0.625 119.729 120.500 -0.243 0.000 2.091 155 R HA -0.192 4.148 4.340 -0.000 0.000 0.238 155 R C 2.285 178.548 176.300 -0.061 0.000 1.136 155 R CA 1.430 57.495 56.100 -0.059 0.000 0.959 155 R CB -0.412 29.903 30.300 0.025 0.000 0.856 155 R HN 0.444 nan 8.270 nan 0.000 0.437 156 A N 1.331 124.089 122.820 -0.104 0.000 1.902 156 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 156 A C 2.102 179.625 177.584 -0.101 0.000 1.181 156 A CA 0.928 52.921 52.037 -0.074 0.000 0.623 156 A CB -0.589 18.367 19.000 -0.074 0.000 0.818 156 A HN 0.247 nan 8.150 nan 0.000 0.443 157 L N -1.136 119.963 121.223 -0.207 0.000 1.971 157 L HA -0.196 4.144 4.340 -0.000 0.000 0.215 157 L C 2.456 179.199 176.870 -0.212 0.000 1.072 157 L CA 2.372 57.055 54.840 -0.261 0.000 0.758 157 L CB -0.941 40.876 42.059 -0.405 0.000 0.889 157 L HN 0.412 nan 8.230 nan 0.000 0.433 158 F N -0.178 119.638 119.950 -0.224 0.000 2.141 158 F HA -0.250 4.277 4.527 -0.000 0.000 0.300 158 F C 2.633 178.378 175.800 -0.091 0.000 1.079 158 F CA 1.240 59.112 58.000 -0.214 0.000 1.264 158 F CB -1.508 37.477 39.000 -0.025 0.000 1.011 158 F HN -0.065 nan 8.300 nan 0.000 0.487 159 V N -0.247 119.745 119.914 0.131 0.000 2.453 159 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 159 V C 2.380 178.504 176.094 0.050 0.000 1.048 159 V CA 1.464 63.822 62.300 0.096 0.000 1.049 159 V CB -0.446 31.419 31.823 0.069 0.000 0.672 159 V HN 0.243 nan 8.190 nan 0.000 0.457 160 R N -0.198 120.302 120.500 0.000 0.000 2.092 160 R HA -0.028 4.312 4.340 -0.000 0.000 0.231 160 R C 2.336 178.630 176.300 -0.010 0.000 1.119 160 R CA 0.833 56.925 56.100 -0.013 0.000 0.970 160 R CB -0.284 29.990 30.300 -0.044 0.000 0.864 160 R HN 0.350 nan 8.270 nan 0.000 0.440 161 R N 0.037 120.500 120.500 -0.062 0.000 2.316 161 R HA -0.014 4.326 4.340 -0.000 0.000 0.202 161 R C 1.035 177.431 176.300 0.160 0.000 1.029 161 R CA 0.900 56.958 56.100 -0.072 0.000 1.018 161 R CB -0.012 29.979 30.300 -0.515 0.000 0.888 161 R HN 0.523 nan 8.270 nan 0.000 0.471 162 G N 0.317 109.214 108.800 0.162 0.000 2.148 162 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.254 162 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.254 162 G C -0.317 174.767 174.900 0.307 0.000 0.981 162 G CA 0.169 45.391 45.100 0.203 0.000 0.670 162 G HN 0.193 nan 8.290 nan 0.000 0.528 163 W N -1.005 120.310 121.300 0.024 0.000 2.161 163 W HA 0.705 5.365 4.660 -0.000 0.000 0.344 163 W C 0.977 177.460 176.519 -0.061 0.000 1.262 163 W CA 0.746 58.063 57.345 -0.046 0.000 1.270 163 W CB 0.495 29.886 29.460 -0.115 0.000 1.126 163 W HN 0.550 nan 8.180 nan 0.000 0.598 164 R N 1.174 121.722 120.500 0.079 0.000 3.718 164 R HA 0.227 4.567 4.340 -0.000 0.000 0.136 164 R C 0.640 176.904 176.300 -0.060 0.000 0.698 164 R CA 0.231 56.340 56.100 0.015 0.000 1.110 164 R CB -0.184 30.125 30.300 0.015 0.000 1.594 164 R HN 0.457 nan 8.270 nan 0.000 0.490 165 R N 1.226 121.658 120.500 -0.114 0.000 2.265 165 R HA 0.668 5.008 4.340 -0.000 0.000 0.319 165 R C -1.287 174.886 176.300 -0.211 0.000 1.006 165 R CA -0.244 55.778 56.100 -0.130 0.000 0.880 165 R CB 0.467 30.697 30.300 -0.117 0.000 1.077 165 R HN 0.426 nan 8.270 nan 0.000 0.454 166 I N 6.684 127.144 120.570 -0.183 0.000 2.534 166 I HA 0.279 4.449 4.170 -0.000 0.000 0.286 166 I C -0.189 175.853 176.117 -0.125 0.000 1.094 166 I CA -0.734 60.432 61.300 -0.225 0.000 1.055 166 I CB 2.134 39.952 38.000 -0.303 0.000 1.225 166 I HN 0.505 nan 8.210 nan 0.000 0.435 167 I N 5.008 125.510 120.570 -0.114 0.000 2.474 167 I HA 0.561 4.731 4.170 -0.000 0.000 0.287 167 I C 0.548 176.673 176.117 0.014 0.000 1.048 167 I CA -0.207 61.074 61.300 -0.033 0.000 1.383 167 I CB 1.269 39.252 38.000 -0.027 0.000 1.412 167 I HN 0.598 nan 8.210 nan 0.000 0.531 168 A N 7.187 130.045 122.820 0.064 0.000 2.355 168 A HA 0.584 4.904 4.320 -0.000 0.000 0.324 168 A C -1.389 176.309 177.584 0.191 0.000 1.117 168 A CA -0.501 51.594 52.037 0.097 0.000 0.785 168 A CB 1.594 20.632 19.000 0.064 0.000 1.254 168 A HN 0.877 nan 8.150 nan 0.000 0.453 169 W N 2.980 124.283 121.300 0.004 0.000 2.463 169 W HA 0.390 5.050 4.660 -0.000 0.000 0.316 169 W C -1.376 175.140 176.519 -0.005 0.000 1.004 169 W CA -0.292 57.062 57.345 0.015 0.000 1.309 169 W CB 1.439 30.915 29.460 0.028 0.000 1.288 169 W HN 0.797 nan 8.180 nan 0.000 0.423 170 Q N 4.386 123.994 119.800 -0.320 0.000 3.135 170 Q HA 0.334 4.674 4.340 -0.000 0.000 0.344 170 Q C 0.775 176.576 176.000 -0.332 0.000 1.321 170 Q CA -0.280 55.377 55.803 -0.244 0.000 1.050 170 Q CB 0.619 29.238 28.738 -0.198 0.000 1.498 170 Q HN 0.420 nan 8.270 nan 0.000 0.503 171 A N 1.370 124.043 122.820 -0.245 0.000 2.561 171 A HA -0.047 4.273 4.320 -0.000 0.000 0.234 171 A C 0.966 178.523 177.584 -0.046 0.000 1.055 171 A CA 0.332 52.341 52.037 -0.048 0.000 0.756 171 A CB 0.221 19.510 19.000 0.481 0.000 0.986 171 A HN 0.829 nan 8.150 nan 0.000 0.505 172 R N 0.531 121.036 120.500 0.008 0.000 2.404 172 R HA 0.291 4.631 4.340 -0.000 0.000 0.237 172 R C 0.189 176.555 176.300 0.111 0.000 0.907 172 R CA 0.050 56.170 56.100 0.034 0.000 1.063 172 R CB 0.402 30.704 30.300 0.004 0.000 1.134 172 R HN 0.771 nan 8.270 nan 0.000 0.529 173 Q N 0.506 120.414 119.800 0.180 0.000 2.590 173 Q HA 0.441 4.781 4.340 -0.000 0.000 0.295 173 Q C -2.859 173.275 176.000 0.224 0.000 0.973 173 Q CA -2.419 53.498 55.803 0.190 0.000 0.768 173 Q CB 3.067 31.894 28.738 0.148 0.000 1.479 173 Q HN -0.062 nan 8.270 nan 0.000 0.419 174 P HA 0.035 nan 4.420 nan 0.000 0.269 174 P C -1.176 175.943 177.300 -0.301 0.000 1.215 174 P CA 0.144 63.160 63.100 -0.139 0.000 0.780 174 P CB 0.435 32.020 31.700 -0.192 0.000 0.898 175 M N 3.165 122.437 119.600 -0.546 0.000 2.238 175 M HA 0.247 4.727 4.480 -0.000 0.000 0.350 175 M C -0.380 175.580 176.300 -0.567 0.000 1.138 175 M CA -0.174 54.862 55.300 -0.440 0.000 1.040 175 M CB 0.588 32.936 32.600 -0.419 0.000 1.639 175 M HN 0.418 nan 8.290 nan 0.000 0.451 176 H N 2.383 121.324 119.070 -0.215 0.000 3.065 176 H HA 0.340 4.896 4.556 0.000 0.000 0.279 176 H C 0.222 175.410 175.328 -0.233 0.000 1.594 176 H CA -0.647 55.225 56.048 -0.293 0.000 1.547 176 H CB 0.703 30.068 29.762 -0.663 0.000 1.771 176 H HN 0.712 nan 8.280 nan 0.000 0.871 177 R N 0.109 120.435 120.500 -0.290 0.000 2.120 177 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 177 R C 1.956 178.035 176.300 -0.368 0.000 1.123 177 R CA 1.415 57.306 56.100 -0.348 0.000 0.975 177 R CB -0.204 29.773 30.300 -0.538 0.000 0.866 177 R HN 0.606 nan 8.270 nan 0.000 0.446 178 A N 0.926 123.439 122.820 -0.512 0.000 1.873 178 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 178 A C 2.039 179.641 177.584 0.031 0.000 1.186 178 A CA 1.220 53.029 52.037 -0.380 0.000 0.616 178 A CB -0.359 18.554 19.000 -0.145 0.000 0.823 178 A HN 0.400 nan 8.150 nan 0.000 0.442 179 Q N -0.989 118.829 119.800 0.029 0.000 2.046 179 Q HA -0.234 4.106 4.340 -0.000 0.000 0.200 179 Q C 2.076 178.030 176.000 -0.076 0.000 0.975 179 Q CA 1.860 57.617 55.803 -0.077 0.000 0.836 179 Q CB -1.087 27.443 28.738 -0.348 0.000 0.896 179 Q HN 0.768 nan 8.270 nan 0.000 0.428 180 Y N 2.424 122.642 120.300 -0.137 0.000 2.053 180 Y HA -0.260 4.290 4.550 -0.000 0.000 0.277 180 Y C 2.131 177.994 175.900 -0.061 0.000 1.159 180 Y CA 2.303 60.348 58.100 -0.092 0.000 1.125 180 Y CB -0.263 38.134 38.460 -0.105 0.000 0.969 180 Y HN 0.143 nan 8.280 nan 0.000 0.492 181 E N -0.792 119.364 120.200 -0.074 0.000 2.118 181 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 181 E C 1.974 178.549 176.600 -0.042 0.000 0.992 181 E CA 1.369 57.696 56.400 -0.122 0.000 0.804 181 E CB -0.431 29.325 29.700 0.094 0.000 0.741 181 E HN 0.612 nan 8.360 nan 0.000 0.458 182 F N 0.402 120.324 119.950 -0.046 0.000 2.206 182 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 182 F C 2.115 177.912 175.800 -0.006 0.000 1.090 182 F CA 0.789 58.811 58.000 0.036 0.000 1.323 182 F CB -0.250 38.885 39.000 0.225 0.000 1.028 182 F HN 0.010 nan 8.300 nan 0.000 0.492 183 C N 0.765 119.987 119.300 -0.129 0.000 2.413 183 C HA -0.175 4.285 4.460 -0.000 0.000 0.276 183 C C 2.872 177.708 174.990 -0.256 0.000 1.236 183 C CA 1.107 59.992 59.018 -0.221 0.000 1.735 183 C CB -1.360 26.294 27.740 -0.143 0.000 2.031 183 C HN 0.528 nan 8.230 nan 0.000 0.474 184 L N 1.104 122.169 121.223 -0.263 0.000 2.013 184 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 184 L C 2.671 179.407 176.870 -0.224 0.000 1.073 184 L CA 2.378 57.066 54.840 -0.254 0.000 0.753 184 L CB -0.641 41.193 42.059 -0.376 0.000 0.890 184 L HN 0.558 nan 8.230 nan 0.000 0.432 185 K N -1.229 119.024 120.400 -0.245 0.000 2.167 185 K HA -0.001 4.319 4.320 -0.000 0.000 0.203 185 K C 1.913 178.350 176.600 -0.271 0.000 1.052 185 K CA 1.197 57.358 56.287 -0.210 0.000 0.956 185 K CB -0.271 32.145 32.500 -0.140 0.000 0.735 185 K HN -0.031 nan 8.250 nan 0.000 0.451 186 S N 1.301 116.729 115.700 -0.454 0.000 2.370 186 S HA -0.140 4.330 4.470 -0.000 0.000 0.226 186 S C 2.236 176.697 174.600 -0.231 0.000 1.033 186 S CA 1.241 59.199 58.200 -0.403 0.000 1.011 186 S CB -0.439 62.429 63.200 -0.552 0.000 0.852 186 S HN 0.555 nan 8.310 nan 0.000 0.457 187 A N 2.156 124.846 122.820 -0.216 0.000 1.898 187 A HA 0.000 4.320 4.320 -0.000 0.000 0.216 187 A C 2.156 179.645 177.584 -0.159 0.000 1.181 187 A CA 1.309 53.240 52.037 -0.177 0.000 0.620 187 A CB -0.786 18.111 19.000 -0.172 0.000 0.819 187 A HN 0.639 nan 8.150 nan 0.000 0.442 188 I N -2.162 118.320 120.570 -0.147 0.000 2.315 188 I HA -0.173 3.997 4.170 -0.000 0.000 0.248 188 I C 2.026 178.081 176.117 -0.104 0.000 1.117 188 I CA 2.431 63.660 61.300 -0.117 0.000 1.404 188 I CB -0.669 37.272 38.000 -0.098 0.000 1.071 188 I HN 0.437 nan 8.210 nan 0.000 0.419 189 E N 1.516 121.650 120.200 -0.111 0.000 2.150 189 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 189 E C 1.315 177.868 176.600 -0.078 0.000 0.985 189 E CA 0.991 57.339 56.400 -0.087 0.000 0.814 189 E CB 0.089 29.736 29.700 -0.089 0.000 0.752 189 E HN 0.591 nan 8.360 nan 0.000 0.466 190 N N 0.937 119.581 118.700 -0.093 0.000 2.251 190 N HA -0.000 4.740 4.740 -0.000 0.000 0.217 190 N C -0.891 174.562 175.510 -0.095 0.000 1.124 190 N CA 0.128 53.129 53.050 -0.082 0.000 0.843 190 N CB 0.646 39.086 38.487 -0.078 0.000 1.024 190 N HN 0.162 nan 8.380 nan 0.000 0.501 191 E N 0.410 120.548 120.200 -0.103 0.000 2.199 191 E HA -0.208 4.142 4.350 -0.000 0.000 0.208 191 E C -0.590 175.918 176.600 -0.154 0.000 1.310 191 E CA 0.056 56.387 56.400 -0.116 0.000 0.709 191 E CB -0.995 28.650 29.700 -0.090 0.000 1.127 191 E HN 0.406 nan 8.360 nan 0.000 0.354 192 A N 1.377 124.086 122.820 -0.186 0.000 2.401 192 A HA 0.535 4.855 4.320 -0.000 0.000 0.310 192 A C 0.094 177.465 177.584 -0.354 0.000 1.075 192 A CA -0.775 51.115 52.037 -0.246 0.000 0.746 192 A CB 1.028 19.913 19.000 -0.193 0.000 1.277 192 A HN 0.217 nan 8.150 nan 0.000 0.425 193 N N -0.114 118.249 118.700 -0.561 0.000 2.399 193 N HA 0.348 5.088 4.740 -0.000 0.000 0.250 193 N C -1.075 174.110 175.510 -0.542 0.000 1.272 193 N CA -0.111 52.413 53.050 -0.877 0.000 0.928 193 N CB 1.163 38.427 38.487 -2.038 0.000 1.158 193 N HN 0.517 nan 8.380 nan 0.000 0.463 194 L N 1.341 122.321 121.223 -0.404 0.000 2.362 194 L HA 0.464 4.804 4.340 -0.000 0.000 0.275 194 L C -1.461 175.437 176.870 0.046 0.000 0.998 194 L CA -0.725 54.034 54.840 -0.136 0.000 0.820 194 L CB 1.527 43.510 42.059 -0.127 0.000 1.270 194 L HN 0.385 nan 8.230 nan 0.000 0.415 195 L N 5.983 127.244 121.223 0.063 0.000 2.316 195 L HA 0.557 4.897 4.340 -0.000 0.000 0.280 195 L C -1.415 175.477 176.870 0.036 0.000 1.006 195 L CA -0.194 54.702 54.840 0.094 0.000 0.836 195 L CB 1.216 43.332 42.059 0.095 0.000 1.221 195 L HN 0.580 nan 8.230 nan 0.000 0.418 196 L N 5.600 126.810 121.223 -0.023 0.000 2.278 196 L HA 0.320 4.660 4.340 -0.000 0.000 0.287 196 L C -0.562 176.278 176.870 -0.050 0.000 1.072 196 L CA -0.313 54.514 54.840 -0.022 0.000 0.819 196 L CB 0.273 42.271 42.059 -0.101 0.000 1.176 196 L HN 0.611 nan 8.230 nan 0.000 0.435 197 H N 3.849 122.813 119.070 -0.177 0.000 2.380 197 H HA 0.351 4.907 4.556 -0.000 0.000 0.231 197 H C -2.582 172.554 175.328 -0.320 0.000 1.415 197 H CA -2.545 53.345 56.048 -0.263 0.000 1.433 197 H CB 0.647 30.276 29.762 -0.221 0.000 1.544 197 H HN 0.257 nan 8.280 nan 0.000 0.503 198 P HA 0.083 nan 4.420 nan 0.000 0.276 198 P C -0.201 176.889 177.300 -0.351 0.000 1.230 198 P CA -0.261 62.575 63.100 -0.439 0.000 0.776 198 P CB 0.847 32.152 31.700 -0.659 0.000 0.888 199 Q N 1.283 120.933 119.800 -0.250 0.000 2.289 199 Q HA 0.126 4.466 4.340 -0.000 0.000 0.273 199 Q C 0.576 176.478 176.000 -0.163 0.000 1.029 199 Q CA 0.355 56.035 55.803 -0.206 0.000 0.896 199 Q CB 0.450 29.115 28.738 -0.121 0.000 1.182 199 Q HN 0.221 nan 8.270 nan 0.000 0.385 200 V N 2.214 121.998 119.914 -0.216 0.000 3.502 200 V HA 0.186 4.306 4.120 -0.000 0.000 0.288 200 V C 0.657 176.505 176.094 -0.410 0.000 1.461 200 V CA 0.423 62.553 62.300 -0.284 0.000 1.029 200 V CB 0.802 32.390 31.823 -0.393 0.000 0.843 200 V HN 0.924 nan 8.190 nan 0.000 0.438 201 G N 0.544 109.220 108.800 -0.207 0.000 2.225 201 G HA2 0.432 4.392 3.960 -0.000 0.000 0.245 201 G HA3 0.432 4.392 3.960 -0.000 0.000 0.245 201 G C 0.297 175.024 174.900 -0.289 0.000 1.249 201 G CA 1.047 46.093 45.100 -0.090 0.000 0.919 201 G HN 0.694 nan 8.290 nan 0.000 0.486 202 G N 1.084 109.522 108.800 -0.604 0.000 2.490 202 G HA2 0.475 4.436 3.960 -0.000 0.000 0.308 202 G HA3 0.475 4.436 3.960 -0.000 0.000 0.308 202 G C -1.923 172.506 174.900 -0.785 0.000 1.286 202 G CA -0.458 43.878 45.100 -1.273 0.000 0.825 202 G HN 0.749 nan 8.290 nan 0.000 0.479 203 D N -1.620 118.356 120.400 -0.707 0.000 2.490 203 D HA 0.481 5.121 4.640 -0.000 0.000 0.232 203 D C 1.643 177.961 176.300 0.030 0.000 1.053 203 D CA -0.388 53.505 54.000 -0.179 0.000 0.914 203 D CB 1.999 42.713 40.800 -0.143 0.000 1.431 203 D HN 0.518 nan 8.370 nan 0.000 0.483 204 I N -0.115 120.524 120.570 0.115 0.000 2.756 204 I HA 0.010 4.180 4.170 -0.000 0.000 0.262 204 I C 1.144 177.269 176.117 0.013 0.000 1.225 204 I CA 1.634 62.994 61.300 0.100 0.000 1.472 204 I CB 0.014 38.076 38.000 0.103 0.000 1.094 204 I HN 0.349 nan 8.210 nan 0.000 0.454 205 T N -1.546 113.020 114.554 0.020 0.000 2.969 205 T HA 0.213 4.563 4.350 -0.000 0.000 0.258 205 T C 1.337 176.060 174.700 0.038 0.000 0.962 205 T CA 0.330 62.442 62.100 0.021 0.000 0.903 205 T CB -0.071 68.816 68.868 0.032 0.000 1.177 205 T HN 0.563 nan 8.240 nan 0.000 0.511 206 E N 1.339 121.567 120.200 0.045 0.000 2.201 206 E HA 0.431 4.781 4.350 -0.000 0.000 0.193 206 E C 0.855 177.480 176.600 0.041 0.000 0.957 206 E CA 0.343 56.804 56.400 0.102 0.000 0.858 206 E CB 0.484 30.325 29.700 0.235 0.000 0.816 206 E HN 0.420 nan 8.360 nan 0.000 0.475 207 A N 2.392 125.121 122.820 -0.152 0.000 3.030 207 A HA 0.333 4.653 4.320 -0.000 0.000 0.335 207 A C -2.417 175.099 177.584 -0.112 0.000 1.089 207 A CA -1.149 50.761 52.037 -0.212 0.000 0.807 207 A CB 0.510 19.123 19.000 -0.644 0.000 1.099 207 A HN -0.062 nan 8.150 nan 0.000 0.474 208 P HA 0.278 nan 4.420 nan 0.000 0.266 208 P C 0.870 178.166 177.300 -0.007 0.000 1.561 208 P CA 0.427 63.519 63.100 -0.013 0.000 1.089 208 P CB 0.932 32.595 31.700 -0.062 0.000 1.534 209 A N -0.103 122.727 122.820 0.017 0.000 2.132 209 A HA -0.096 4.224 4.320 -0.000 0.000 0.213 209 A C 1.797 179.429 177.584 0.079 0.000 1.154 209 A CA 0.462 52.532 52.037 0.055 0.000 0.753 209 A CB -1.286 17.760 19.000 0.077 0.000 0.826 209 A HN 0.272 nan 8.150 nan 0.000 0.469 210 Y N -2.483 117.850 120.300 0.054 0.000 2.352 210 Y HA -0.046 4.505 4.550 0.000 0.000 0.292 210 Y C 1.626 177.543 175.900 0.029 0.000 1.136 210 Y CA 0.721 58.811 58.100 -0.016 0.000 1.227 210 Y CB -0.929 37.445 38.460 -0.144 0.000 0.991 210 Y HN 0.159 nan 8.280 nan 0.000 0.545 211 F N 1.611 121.312 119.950 -0.415 0.000 2.069 211 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 211 F C 2.772 178.612 175.800 0.068 0.000 1.113 211 F CA 1.912 59.848 58.000 -0.107 0.000 1.214 211 F CB -0.991 37.864 39.000 -0.242 0.000 0.978 211 F HN 0.218 nan 8.300 nan 0.000 0.474 212 G N 0.008 108.936 108.800 0.214 0.000 2.440 212 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 212 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 212 G C 1.759 176.749 174.900 0.151 0.000 1.154 212 G CA 0.757 45.953 45.100 0.160 0.000 0.767 212 G HN 0.325 nan 8.290 nan 0.000 0.552 213 L N 0.426 121.744 121.223 0.158 0.000 2.012 213 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 213 L C 3.012 180.009 176.870 0.212 0.000 1.073 213 L CA 1.407 56.363 54.840 0.193 0.000 0.748 213 L CB -0.360 41.805 42.059 0.177 0.000 0.891 213 L HN 0.170 nan 8.230 nan 0.000 0.431 214 V N -0.264 119.707 119.914 0.096 0.000 2.343 214 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 214 V C 2.606 178.692 176.094 -0.014 0.000 1.051 214 V CA 1.909 64.161 62.300 -0.081 0.000 1.036 214 V CB -0.640 30.902 31.823 -0.468 0.000 0.654 214 V HN 0.445 nan 8.190 nan 0.000 0.451 215 R N 0.481 121.023 120.500 0.070 0.000 2.115 215 R HA -0.137 4.203 4.340 -0.000 0.000 0.230 215 R C 2.555 178.895 176.300 0.068 0.000 1.111 215 R CA 1.494 57.648 56.100 0.090 0.000 0.976 215 R CB -0.297 30.091 30.300 0.148 0.000 0.870 215 R HN 0.682 nan 8.270 nan 0.000 0.445 216 S N -0.945 114.798 115.700 0.072 0.000 2.453 216 S HA -0.071 4.399 4.470 -0.000 0.000 0.231 216 S C 1.648 176.177 174.600 -0.119 0.000 1.005 216 S CA 0.611 58.800 58.200 -0.018 0.000 0.949 216 S CB -0.235 62.941 63.200 -0.040 0.000 0.774 216 S HN 0.248 nan 8.310 nan 0.000 0.510 217 F N 1.495 121.417 119.950 -0.047 0.000 2.187 217 F HA 0.331 4.858 4.527 0.000 0.000 0.295 217 F C 2.097 177.862 175.800 -0.057 0.000 1.091 217 F CA 0.666 58.635 58.000 -0.053 0.000 1.308 217 F CB -0.307 38.651 39.000 -0.071 0.000 1.030 217 F HN 0.152 nan 8.300 nan 0.000 0.487 218 L N -0.578 120.697 121.223 0.087 0.000 2.131 218 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 218 L C 2.627 179.501 176.870 0.007 0.000 1.092 218 L CA 1.044 55.901 54.840 0.029 0.000 0.759 218 L CB -0.915 41.148 42.059 0.007 0.000 0.903 218 L HN 0.136 nan 8.230 nan 0.000 0.435 219 A N 0.500 123.311 122.820 -0.015 0.000 1.930 219 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 219 A C 2.099 179.619 177.584 -0.107 0.000 1.175 219 A CA 1.806 53.817 52.037 -0.043 0.000 0.627 219 A CB -0.531 18.447 19.000 -0.038 0.000 0.815 219 A HN 0.582 nan 8.150 nan 0.000 0.443 220 I N -3.572 116.908 120.570 -0.150 0.000 4.018 220 I HA 0.285 4.455 4.170 -0.000 0.000 0.337 220 I C 1.741 177.788 176.117 -0.117 0.000 1.327 220 I CA 0.224 61.353 61.300 -0.285 0.000 1.100 220 I CB 0.043 37.794 38.000 -0.414 0.000 1.025 220 I HN 0.222 nan 8.210 nan 0.000 0.396 221 R N 1.443 121.961 120.500 0.030 0.000 2.120 221 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 221 R C 1.063 177.461 176.300 0.164 0.000 1.123 221 R CA 2.249 58.455 56.100 0.176 0.000 0.975 221 R CB -0.203 30.156 30.300 0.100 0.000 0.866 221 R HN 0.376 nan 8.270 nan 0.000 0.446 222 D N -0.020 120.393 120.400 0.022 0.000 2.350 222 D HA -0.074 4.566 4.640 -0.000 0.000 0.216 222 D C 1.336 177.606 176.300 -0.050 0.000 0.968 222 D CA 0.563 54.564 54.000 0.001 0.000 0.894 222 D CB 0.061 40.844 40.800 -0.029 0.000 0.909 222 D HN 0.121 nan 8.370 nan 0.000 0.520 223 R N -0.253 120.133 120.500 -0.190 0.000 2.316 223 R HA 0.060 4.400 4.340 -0.000 0.000 0.202 223 R C -0.095 176.106 176.300 -0.165 0.000 1.029 223 R CA 0.172 56.048 56.100 -0.375 0.000 1.018 223 R CB -0.241 29.430 30.300 -1.048 0.000 0.888 223 R HN 0.214 nan 8.270 nan 0.000 0.471 224 F N 1.144 121.127 119.950 0.055 0.000 2.450 224 F HA 0.348 4.875 4.527 -0.000 0.000 0.332 224 F C -1.733 174.105 175.800 0.063 0.000 1.093 224 F CA -2.966 55.101 58.000 0.112 0.000 1.003 224 F CB 1.017 40.069 39.000 0.086 0.000 1.151 224 F HN -0.232 nan 8.300 nan 0.000 0.474 225 P HA 0.056 nan 4.420 nan 0.000 0.263 225 P C -0.092 177.308 177.300 0.167 0.000 1.195 225 P CA 0.282 63.473 63.100 0.151 0.000 0.762 225 P CB 0.843 32.604 31.700 0.101 0.000 0.799 226 A N 4.665 127.567 122.820 0.136 0.000 1.898 226 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 226 A C 1.981 179.671 177.584 0.177 0.000 1.181 226 A CA 1.719 53.840 52.037 0.140 0.000 0.620 226 A CB -1.315 17.746 19.000 0.101 0.000 0.819 226 A HN 0.522 nan 8.150 nan 0.000 0.442 227 A N -2.023 120.891 122.820 0.156 0.000 2.239 227 A HA 0.193 4.513 4.320 -0.000 0.000 0.209 227 A C 1.653 179.378 177.584 0.235 0.000 1.171 227 A CA 1.702 53.856 52.037 0.195 0.000 0.768 227 A CB -0.448 18.624 19.000 0.120 0.000 0.790 227 A HN 0.352 nan 8.150 nan 0.000 0.478 228 T N -1.306 113.363 114.554 0.192 0.000 3.080 228 T HA 0.189 4.539 4.350 -0.000 0.000 0.280 228 T C -0.056 174.655 174.700 0.019 0.000 0.926 228 T CA 0.531 62.616 62.100 -0.024 0.000 0.883 228 T CB 0.370 69.194 68.868 -0.074 0.000 1.194 228 T HN 0.306 nan 8.240 nan 0.000 0.541 229 T N 1.834 116.577 114.554 0.316 0.000 2.900 229 T HA 0.648 4.998 4.350 -0.000 0.000 0.295 229 T C -1.351 173.580 174.700 0.383 0.000 1.044 229 T CA -0.710 61.548 62.100 0.263 0.000 0.995 229 T CB 2.473 71.390 68.868 0.081 0.000 1.072 229 T HN -0.168 nan 8.240 nan 0.000 0.473 230 Q N 1.643 121.624 119.800 0.303 0.000 2.331 230 Q HA 0.561 4.901 4.340 -0.000 0.000 0.272 230 Q C -1.695 174.310 176.000 0.009 0.000 1.062 230 Q CA -0.796 55.076 55.803 0.115 0.000 0.806 230 Q CB 2.974 31.761 28.738 0.083 0.000 1.312 230 Q HN 0.593 nan 8.270 nan 0.000 0.431 231 L N 1.090 122.286 121.223 -0.045 0.000 2.322 231 L HA 0.761 5.101 4.340 -0.000 0.000 0.281 231 L C -0.932 175.881 176.870 -0.096 0.000 1.014 231 L CA 0.202 54.995 54.840 -0.079 0.000 0.815 231 L CB 1.942 43.960 42.059 -0.069 0.000 1.247 231 L HN 0.517 nan 8.230 nan 0.000 0.421 232 S N 3.735 119.381 115.700 -0.091 0.000 2.570 232 S HA 0.725 5.195 4.470 -0.000 0.000 0.270 232 S C -1.335 173.230 174.600 -0.059 0.000 1.149 232 S CA -0.692 57.466 58.200 -0.069 0.000 0.837 232 S CB 1.085 64.241 63.200 -0.074 0.000 1.124 232 S HN 0.605 nan 8.310 nan 0.000 0.465 233 L N 2.735 123.878 121.223 -0.134 0.000 2.322 233 L HA 0.592 4.932 4.340 -0.000 0.000 0.279 233 L C -0.431 176.206 176.870 -0.389 0.000 1.036 233 L CA -0.696 53.985 54.840 -0.265 0.000 0.807 233 L CB 1.244 43.147 42.059 -0.261 0.000 1.226 233 L HN 0.457 nan 8.230 nan 0.000 0.433 234 L N 5.331 126.200 121.223 -0.590 0.000 2.301 234 L HA 0.442 4.782 4.340 -0.000 0.000 0.278 234 L C -2.352 174.300 176.870 -0.363 0.000 1.022 234 L CA -1.580 52.846 54.840 -0.689 0.000 0.854 234 L CB 1.684 43.131 42.059 -1.020 0.000 1.226 234 L HN 0.323 nan 8.230 nan 0.000 0.429 235 P HA 0.328 nan 4.420 nan 0.000 0.271 235 P C -0.868 176.398 177.300 -0.057 0.000 1.380 235 P CA 0.098 63.099 63.100 -0.164 0.000 0.992 235 P CB 0.730 32.370 31.700 -0.099 0.000 1.230 236 A N 4.669 127.470 122.820 -0.033 0.000 2.569 236 A HA 0.635 4.955 4.320 -0.000 0.000 0.292 236 A C -3.202 174.447 177.584 0.108 0.000 1.032 236 A CA -1.226 50.848 52.037 0.062 0.000 0.669 236 A CB 0.535 19.557 19.000 0.037 0.000 1.290 236 A HN 0.143 nan 8.150 nan 0.000 0.422 237 P HA 0.536 nan 4.420 nan 0.000 0.279 237 P C -2.728 174.634 177.300 0.103 0.000 1.252 237 P CA -1.468 61.762 63.100 0.216 0.000 0.811 237 P CB -0.288 31.551 31.700 0.232 0.000 1.035 238 P HA 0.177 nan 4.420 nan 0.000 0.268 238 P C -2.158 175.173 177.300 0.051 0.000 1.205 238 P CA -0.520 62.604 63.100 0.040 0.000 0.771 238 P CB -1.010 30.712 31.700 0.038 0.000 0.858 239 P HA 0.337 nan 4.420 nan 0.000 0.302 239 P C -0.397 176.922 177.300 0.030 0.000 1.307 239 P CA -0.258 62.864 63.100 0.036 0.000 0.754 239 P CB 0.230 31.946 31.700 0.028 0.000 1.298 240 E N -0.904 119.313 120.200 0.028 0.000 2.231 240 E HA 0.577 4.927 4.350 -0.000 0.000 0.277 240 E C -0.110 176.501 176.600 0.018 0.000 0.999 240 E CA -0.883 55.532 56.400 0.026 0.000 0.827 240 E CB 0.440 30.158 29.700 0.029 0.000 1.101 240 E HN 0.668 nan 8.360 nan 0.000 0.393 241 A N 1.715 124.544 122.820 0.015 0.000 2.524 241 A HA 0.536 4.856 4.320 -0.000 0.000 0.250 241 A C 0.569 178.160 177.584 0.011 0.000 1.078 241 A CA 0.750 52.791 52.037 0.008 0.000 0.761 241 A CB -0.553 18.452 19.000 0.009 0.000 1.012 241 A HN 1.867 nan 8.150 nan 0.000 0.500 242 S N 1.236 116.940 115.700 0.007 0.000 2.558 242 S HA 0.514 4.984 4.470 -0.000 0.000 0.277 242 S C 0.835 175.438 174.600 0.006 0.000 1.143 242 S CA 0.091 58.297 58.200 0.010 0.000 0.865 242 S CB 0.690 63.898 63.200 0.014 0.000 1.102 242 S HN 1.673 nan 8.310 nan 0.000 0.454 243 G N 1.861 110.666 108.800 0.010 0.000 2.503 243 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.221 243 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.221 243 G C 1.263 176.170 174.900 0.011 0.000 1.131 243 G CA 1.143 46.249 45.100 0.010 0.000 0.756 243 G HN 0.818 nan 8.290 nan 0.000 0.572 244 R N 0.255 120.762 120.500 0.013 0.000 2.070 244 R HA 0.035 4.375 4.340 -0.000 0.000 0.232 244 R C 3.102 179.388 176.300 -0.024 0.000 1.138 244 R CA 1.443 57.545 56.100 0.003 0.000 0.936 244 R CB -0.465 29.840 30.300 0.009 0.000 0.839 244 R HN 0.305 nan 8.270 nan 0.000 0.429 245 A N 1.147 123.959 122.820 -0.013 0.000 1.903 245 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 245 A C 2.156 179.722 177.584 -0.030 0.000 1.191 245 A CA 1.482 53.509 52.037 -0.017 0.000 0.638 245 A CB -0.841 18.157 19.000 -0.002 0.000 0.823 245 A HN 0.407 nan 8.150 nan 0.000 0.451 246 L N -0.686 120.522 121.223 -0.025 0.000 2.017 246 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 246 L C 2.468 179.313 176.870 -0.042 0.000 1.073 246 L CA 1.783 56.604 54.840 -0.032 0.000 0.745 246 L CB -0.410 41.636 42.059 -0.022 0.000 0.894 246 L HN 0.458 nan 8.230 nan 0.000 0.432 247 L N -0.691 120.509 121.223 -0.037 0.000 2.191 247 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 247 L C 2.485 179.280 176.870 -0.126 0.000 1.103 247 L CA 0.685 55.499 54.840 -0.044 0.000 0.769 247 L CB -0.254 41.835 42.059 0.049 0.000 0.908 247 L HN 0.360 nan 8.230 nan 0.000 0.438 248 L N -0.423 120.708 121.223 -0.154 0.000 2.072 248 L HA -0.180 4.160 4.340 -0.000 0.000 0.205 248 L C 2.807 179.621 176.870 -0.094 0.000 1.079 248 L CA 1.260 55.967 54.840 -0.222 0.000 0.752 248 L CB -0.123 41.846 42.059 -0.149 0.000 0.906 248 L HN 0.217 nan 8.230 nan 0.000 0.436 249 R N -0.434 120.042 120.500 -0.040 0.000 2.096 249 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 249 R C 2.307 178.606 176.300 -0.002 0.000 1.127 249 R CA 1.234 57.334 56.100 -0.000 0.000 0.968 249 R CB -0.416 29.870 30.300 -0.022 0.000 0.861 249 R HN 0.419 nan 8.270 nan 0.000 0.440 250 A N 1.221 124.016 122.820 -0.042 0.000 1.940 250 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 250 A C 2.102 179.647 177.584 -0.065 0.000 1.176 250 A CA 1.304 53.313 52.037 -0.047 0.000 0.631 250 A CB -0.478 18.479 19.000 -0.073 0.000 0.814 250 A HN 0.190 nan 8.150 nan 0.000 0.446 251 I N -0.144 120.345 120.570 -0.134 0.000 2.233 251 I HA -0.181 3.989 4.170 -0.000 0.000 0.243 251 I C 2.592 178.716 176.117 0.012 0.000 1.093 251 I CA 1.584 62.764 61.300 -0.200 0.000 1.380 251 I CB -0.495 37.252 38.000 -0.422 0.000 1.067 251 I HN 0.355 nan 8.210 nan 0.000 0.413 252 V N 0.399 120.376 119.914 0.106 0.000 2.515 252 V HA -0.148 3.972 4.120 -0.000 0.000 0.250 252 V C 2.604 178.905 176.094 0.345 0.000 1.058 252 V CA 1.631 64.077 62.300 0.243 0.000 1.064 252 V CB -0.836 31.155 31.823 0.279 0.000 0.675 252 V HN 0.308 nan 8.190 nan 0.000 0.461 253 A N 0.833 123.786 122.820 0.222 0.000 1.892 253 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 253 A C 2.524 180.238 177.584 0.218 0.000 1.188 253 A CA 2.361 54.529 52.037 0.220 0.000 0.631 253 A CB -0.803 18.264 19.000 0.111 0.000 0.822 253 A HN 0.658 nan 8.150 nan 0.000 0.447 254 R N -0.516 120.065 120.500 0.136 0.000 2.075 254 R HA -0.134 4.206 4.340 -0.000 0.000 0.232 254 R C 1.586 177.978 176.300 0.154 0.000 1.126 254 R CA 1.592 57.765 56.100 0.121 0.000 0.963 254 R CB -0.321 30.019 30.300 0.067 0.000 0.858 254 R HN 0.509 nan 8.270 nan 0.000 0.435 255 N N -0.080 118.707 118.700 0.147 0.000 2.381 255 N HA -0.133 4.607 4.740 -0.000 0.000 0.182 255 N C 1.194 176.683 175.510 -0.036 0.000 1.025 255 N CA 0.997 54.083 53.050 0.060 0.000 0.888 255 N CB -0.145 38.353 38.487 0.019 0.000 0.965 255 N HN 0.197 nan 8.380 nan 0.000 0.438 256 F N -0.276 119.743 119.950 0.114 0.000 2.710 256 F HA 0.181 4.708 4.527 0.000 0.000 0.298 256 F C 1.907 177.828 175.800 0.203 0.000 1.137 256 F CA 0.710 58.784 58.000 0.123 0.000 1.444 256 F CB 0.216 39.299 39.000 0.138 0.000 1.111 256 F HN 0.136 nan 8.300 nan 0.000 0.580 257 G N -1.309 107.691 108.800 0.333 0.000 2.229 257 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.189 257 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.189 257 G C -0.067 174.944 174.900 0.186 0.000 1.000 257 G CA -0.268 45.022 45.100 0.317 0.000 0.663 257 G HN 0.197 nan 8.290 nan 0.000 0.493 258 C N 2.151 121.557 119.300 0.175 0.000 2.452 258 C HA 0.675 5.135 4.460 -0.000 0.000 0.379 258 C C 1.811 176.832 174.990 0.051 0.000 1.275 258 C CA 0.392 59.451 59.018 0.068 0.000 2.056 258 C CB 1.120 28.905 27.740 0.076 0.000 2.506 258 C HN 0.830 nan 8.230 nan 0.000 0.560 259 S N 0.767 116.473 115.700 0.010 0.000 2.559 259 S HA 0.418 4.888 4.470 -0.000 0.000 0.226 259 S C -0.237 174.363 174.600 0.001 0.000 1.000 259 S CA -0.082 58.124 58.200 0.009 0.000 0.948 259 S CB -0.308 62.891 63.200 -0.002 0.000 0.870 259 S HN 0.613 nan 8.310 nan 0.000 0.497 260 L N 1.371 122.595 121.223 0.001 0.000 2.388 260 L HA 0.659 4.999 4.340 -0.000 0.000 0.264 260 L C -0.858 176.030 176.870 0.030 0.000 0.998 260 L CA -0.510 54.336 54.840 0.009 0.000 0.817 260 L CB 2.343 44.400 42.059 -0.004 0.000 1.338 260 L HN 0.171 nan 8.230 nan 0.000 0.414 261 L N 2.977 124.224 121.223 0.040 0.000 2.436 261 L HA 0.593 4.933 4.340 -0.000 0.000 0.268 261 L C -1.156 175.757 176.870 0.073 0.000 0.974 261 L CA -0.437 54.430 54.840 0.045 0.000 0.826 261 L CB 2.158 44.226 42.059 0.015 0.000 1.291 261 L HN 0.569 nan 8.230 nan 0.000 0.406 262 I N 3.322 123.953 120.570 0.101 0.000 2.440 262 I HA 0.513 4.683 4.170 -0.000 0.000 0.294 262 I C 0.189 176.285 176.117 -0.035 0.000 0.995 262 I CA -0.293 61.105 61.300 0.164 0.000 1.306 262 I CB 1.871 40.142 38.000 0.451 0.000 1.407 262 I HN 0.677 nan 8.210 nan 0.000 0.501 263 A N 4.552 127.374 122.820 0.004 0.000 2.385 263 A HA 0.866 5.186 4.320 -0.000 0.000 0.290 263 A C -0.370 177.200 177.584 -0.023 0.000 1.094 263 A CA -0.394 51.595 52.037 -0.080 0.000 0.729 263 A CB 1.328 20.308 19.000 -0.034 0.000 1.194 263 A HN 0.922 nan 8.150 nan 0.000 0.442 264 G N 0.351 109.091 108.800 -0.100 0.000 2.380 264 G HA2 0.740 4.700 3.960 -0.000 0.000 0.305 264 G HA3 0.740 4.700 3.960 -0.000 0.000 0.305 264 G C -0.447 174.487 174.900 0.056 0.000 1.672 264 G CA 0.430 45.566 45.100 0.060 0.000 0.904 264 G HN 2.318 nan 8.290 nan 0.000 0.686 287 P HA 0.058 nan 4.420 nan 0.000 0.220 287 P C 2.034 179.327 177.300 -0.011 0.000 1.152 287 P CA 1.890 64.987 63.100 -0.005 0.000 0.812 287 P CB 0.433 32.131 31.700 -0.004 0.000 0.792 288 S N 0.123 115.818 115.700 -0.008 0.000 2.365 288 S HA -0.185 4.285 4.470 -0.000 0.000 0.221 288 S C 2.035 176.618 174.600 -0.028 0.000 1.037 288 S CA 2.257 60.449 58.200 -0.013 0.000 1.060 288 S CB -1.322 61.878 63.200 -0.000 0.000 0.974 288 S HN 0.020 nan 8.310 nan 0.000 0.427 289 V N 1.055 120.956 119.914 -0.021 0.000 2.295 289 V HA 0.040 4.160 4.120 -0.000 0.000 0.246 289 V C 2.763 178.826 176.094 -0.051 0.000 1.049 289 V CA 1.877 64.158 62.300 -0.033 0.000 1.024 289 V CB -2.026 29.787 31.823 -0.017 0.000 0.648 289 V HN 0.636 nan 8.190 nan 0.000 0.447 290 A N 0.324 123.124 122.820 -0.034 0.000 1.884 290 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 290 A C 2.124 179.677 177.584 -0.052 0.000 1.197 290 A CA 2.334 54.351 52.037 -0.034 0.000 0.637 290 A CB -0.875 18.114 19.000 -0.019 0.000 0.827 290 A HN 0.656 nan 8.150 nan 0.000 0.450 291 E N -0.216 119.954 120.200 -0.050 0.000 2.072 291 E HA -0.285 4.065 4.350 -0.000 0.000 0.218 291 E C 2.089 178.623 176.600 -0.110 0.000 1.051 291 E CA 2.053 58.415 56.400 -0.064 0.000 0.880 291 E CB -0.548 29.120 29.700 -0.054 0.000 0.783 291 E HN 0.692 nan 8.360 nan 0.000 0.473 292 R N 0.403 120.807 120.500 -0.160 0.000 2.070 292 R HA -0.059 4.281 4.340 -0.000 0.000 0.233 292 R C 2.475 178.596 176.300 -0.297 0.000 1.137 292 R CA 1.415 57.333 56.100 -0.303 0.000 0.945 292 R CB -0.587 29.444 30.300 -0.449 0.000 0.845 292 R HN 0.253 nan 8.270 nan 0.000 0.430 293 A N 1.332 124.023 122.820 -0.214 0.000 1.859 293 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 293 A C 2.035 179.548 177.584 -0.118 0.000 1.209 293 A CA 2.068 54.010 52.037 -0.159 0.000 0.639 293 A CB -0.688 18.254 19.000 -0.096 0.000 0.835 293 A HN 0.398 nan 8.150 nan 0.000 0.450 294 E N 0.065 120.214 120.200 -0.084 0.000 2.515 294 E HA -0.023 4.327 4.350 -0.000 0.000 0.201 294 E C 1.789 178.358 176.600 -0.051 0.000 1.071 294 E CA 1.561 57.930 56.400 -0.052 0.000 0.880 294 E CB -0.440 29.238 29.700 -0.036 0.000 0.828 294 E HN 0.588 nan 8.360 nan 0.000 0.540 295 K N 1.397 121.746 120.400 -0.084 0.000 1.965 295 K HA -0.061 4.259 4.320 -0.000 0.000 0.214 295 K C 1.949 178.538 176.600 -0.018 0.000 1.046 295 K CA 1.569 57.814 56.287 -0.071 0.000 0.944 295 K CB -1.513 30.898 32.500 -0.148 0.000 0.726 295 K HN 0.526 nan 8.250 nan 0.000 0.441 296 I N -2.383 118.166 120.570 -0.034 0.000 3.369 296 I HA 0.247 4.417 4.170 -0.000 0.000 0.288 296 I C 1.304 177.450 176.117 0.049 0.000 1.321 296 I CA 1.080 62.415 61.300 0.059 0.000 1.358 296 I CB -0.891 37.066 38.000 -0.073 0.000 1.038 296 I HN 0.515 nan 8.210 nan 0.000 0.516 297 G N 1.301 110.111 108.800 0.017 0.000 2.141 297 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.242 297 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.242 297 G C 0.018 174.925 174.900 0.012 0.000 0.982 297 G CA 0.120 45.236 45.100 0.026 0.000 0.662 297 G HN 0.566 nan 8.290 nan 0.000 0.527 298 V N 1.063 120.971 119.914 -0.011 0.000 2.378 298 V HA 0.700 4.820 4.120 -0.000 0.000 0.288 298 V C 0.614 176.699 176.094 -0.015 0.000 1.016 298 V CA -1.080 61.214 62.300 -0.010 0.000 0.840 298 V CB 1.223 33.038 31.823 -0.014 0.000 0.994 298 V HN 0.364 nan 8.190 nan 0.000 0.431 299 R N 6.920 127.416 120.500 -0.006 0.000 2.267 299 R HA 0.435 4.775 4.340 -0.000 0.000 0.319 299 R C -0.516 175.790 176.300 0.010 0.000 1.067 299 R CA -0.459 55.640 56.100 -0.002 0.000 0.936 299 R CB 0.727 31.026 30.300 -0.000 0.000 1.006 299 R HN 0.838 nan 8.270 nan 0.000 0.452 300 L N 5.571 126.801 121.223 0.011 0.000 2.280 300 L HA 0.531 4.871 4.340 -0.000 0.000 0.287 300 L C 0.016 176.919 176.870 0.056 0.000 1.023 300 L CA -0.844 54.013 54.840 0.029 0.000 0.819 300 L CB 1.162 43.227 42.059 0.011 0.000 1.212 300 L HN 0.570 nan 8.230 nan 0.000 0.420 301 I N 1.688 122.317 120.570 0.098 0.000 2.428 301 I HA 0.786 4.956 4.170 -0.000 0.000 0.296 301 I C 0.009 176.246 176.117 0.200 0.000 0.985 301 I CA -0.380 61.011 61.300 0.152 0.000 1.260 301 I CB 1.786 39.902 38.000 0.193 0.000 1.389 301 I HN 0.831 nan 8.210 nan 0.000 0.484 302 A N 5.589 128.519 122.820 0.184 0.000 2.293 302 A HA 0.426 4.746 4.320 -0.000 0.000 0.302 302 A C -1.215 176.473 177.584 0.172 0.000 1.119 302 A CA -0.453 51.676 52.037 0.153 0.000 0.823 302 A CB 0.608 19.655 19.000 0.077 0.000 1.097 302 A HN 0.775 nan 8.150 nan 0.000 0.491 303 Y N 3.231 123.499 120.300 -0.053 0.000 2.367 303 Y HA 0.530 5.080 4.550 -0.000 0.000 0.342 303 Y C -2.152 173.598 175.900 -0.250 0.000 0.979 303 Y CA -2.506 55.424 58.100 -0.284 0.000 1.161 303 Y CB 0.719 39.120 38.460 -0.099 0.000 1.155 303 Y HN 0.530 nan 8.280 nan 0.000 0.503 304 P HA 0.388 nan 4.420 nan 0.000 0.280 304 P C -0.918 176.010 177.300 -0.620 0.000 1.272 304 P CA -0.697 62.100 63.100 -0.505 0.000 0.819 304 P CB 0.514 32.009 31.700 -0.343 0.000 1.122 305 R N 1.544 121.858 120.500 -0.311 0.000 2.507 305 R HA 0.152 4.492 4.340 -0.000 0.000 0.341 305 R C 0.562 176.737 176.300 -0.209 0.000 0.960 305 R CA 0.183 56.150 56.100 -0.221 0.000 1.032 305 R CB -1.500 28.742 30.300 -0.097 0.000 0.933 305 R HN 0.373 nan 8.270 nan 0.000 0.418 306 M N 2.836 122.305 119.600 -0.218 0.000 2.211 306 M HA 0.339 4.819 4.480 -0.000 0.000 0.356 306 M C 0.185 176.533 176.300 0.081 0.000 1.216 306 M CA -0.874 54.401 55.300 -0.041 0.000 1.134 306 M CB 1.026 33.642 32.600 0.028 0.000 1.564 306 M HN 0.574 nan 8.290 nan 0.000 0.463 307 V N 2.082 122.044 119.914 0.080 0.000 2.735 307 V HA 0.509 4.629 4.120 -0.000 0.000 0.310 307 V C -1.173 174.886 176.094 -0.058 0.000 1.061 307 V CA -1.062 61.257 62.300 0.031 0.000 0.913 307 V CB 1.889 33.680 31.823 -0.053 0.000 1.005 307 V HN 0.730 nan 8.190 nan 0.000 0.428 308 Y N 3.918 123.967 120.300 -0.419 0.000 2.480 308 Y HA 0.580 5.130 4.550 -0.000 0.000 0.341 308 Y C -0.030 175.534 175.900 -0.560 0.000 1.031 308 Y CA -0.688 56.919 58.100 -0.822 0.000 1.295 308 Y CB 1.050 38.722 38.460 -1.313 0.000 1.162 308 Y HN 0.586 nan 8.280 nan 0.000 0.523 309 V N 8.201 127.550 119.914 -0.941 0.000 2.288 309 V HA 0.079 4.199 4.120 -0.000 0.000 0.266 309 V C 1.194 176.718 176.094 -0.950 0.000 1.048 309 V CA -0.343 61.521 62.300 -0.727 0.000 0.842 309 V CB 0.751 32.341 31.823 -0.389 0.000 1.064 309 V HN 0.926 nan 8.190 nan 0.000 0.472 310 E N 2.685 122.326 120.200 -0.931 0.000 2.118 310 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 310 E C 1.069 177.459 176.600 -0.351 0.000 0.992 310 E CA 1.839 57.840 56.400 -0.665 0.000 0.804 310 E CB 0.243 29.727 29.700 -0.360 0.000 0.741 310 E HN 0.854 nan 8.360 nan 0.000 0.458 311 D N -0.657 119.574 120.400 -0.283 0.000 2.351 311 D HA -0.085 4.555 4.640 -0.000 0.000 0.216 311 D C 1.319 177.523 176.300 -0.160 0.000 0.968 311 D CA 0.770 54.663 54.000 -0.177 0.000 0.899 311 D CB 0.109 40.822 40.800 -0.146 0.000 0.907 311 D HN 0.069 nan 8.370 nan 0.000 0.514 312 R N -0.968 119.402 120.500 -0.217 0.000 2.541 312 R HA 0.399 4.739 4.340 -0.000 0.000 0.332 312 R C 0.154 176.380 176.300 -0.123 0.000 0.951 312 R CA 0.402 56.414 56.100 -0.148 0.000 1.136 312 R CB 0.918 31.138 30.300 -0.134 0.000 1.449 312 R HN -0.001 nan 8.270 nan 0.000 0.531 313 A N 2.339 125.044 122.820 -0.191 0.000 2.745 313 A HA -0.252 4.068 4.320 -0.000 0.000 0.296 313 A C -0.129 177.511 177.584 0.094 0.000 1.500 313 A CA 1.844 53.870 52.037 -0.019 0.000 0.766 313 A CB -1.677 17.369 19.000 0.078 0.000 1.030 313 A HN 0.573 nan 8.150 nan 0.000 0.489 314 E N -0.955 119.215 120.200 -0.050 0.000 2.416 314 E HA 0.556 4.906 4.350 -0.000 0.000 0.280 314 E C -0.802 175.809 176.600 0.019 0.000 1.055 314 E CA -1.180 55.295 56.400 0.126 0.000 0.825 314 E CB 0.656 30.413 29.700 0.095 0.000 1.312 314 E HN 0.469 nan 8.360 nan 0.000 0.452 315 H N 0.786 119.959 119.070 0.170 0.000 2.652 315 H HA 0.403 4.959 4.556 -0.000 0.000 0.349 315 H C -0.314 175.048 175.328 0.057 0.000 1.099 315 H CA 0.053 56.173 56.048 0.120 0.000 1.417 315 H CB 1.009 30.866 29.762 0.158 0.000 1.457 315 H HN 0.243 nan 8.280 nan 0.000 0.568 316 L N 3.743 125.033 121.223 0.112 0.000 2.371 316 L HA 0.332 4.672 4.340 -0.000 0.000 0.262 316 L C -2.440 174.461 176.870 0.051 0.000 1.006 316 L CA -2.402 52.481 54.840 0.072 0.000 0.818 316 L CB 2.495 44.556 42.059 0.003 0.000 1.354 316 L HN 0.370 nan 8.230 nan 0.000 0.415 317 P HA -0.027 nan 4.420 nan 0.000 0.265 317 P C 0.367 177.650 177.300 -0.029 0.000 1.193 317 P CA 0.123 63.214 63.100 -0.015 0.000 0.765 317 P CB 0.630 32.340 31.700 0.017 0.000 0.823 318 E N 3.758 123.926 120.200 -0.052 0.000 2.114 318 E HA -0.307 4.043 4.350 -0.000 0.000 0.199 318 E C 1.434 178.010 176.600 -0.039 0.000 1.008 318 E CA 1.775 58.147 56.400 -0.047 0.000 0.810 318 E CB -0.300 29.370 29.700 -0.049 0.000 0.739 318 E HN 0.500 nan 8.360 nan 0.000 0.456 319 A N 0.103 122.903 122.820 -0.033 0.000 2.206 319 A HA -0.059 4.261 4.320 -0.000 0.000 0.211 319 A C 1.504 179.076 177.584 -0.020 0.000 1.158 319 A CA 0.742 52.764 52.037 -0.025 0.000 0.761 319 A CB -0.072 18.915 19.000 -0.020 0.000 0.801 319 A HN 0.317 nan 8.150 nan 0.000 0.473 320 E N -0.247 119.943 120.200 -0.018 0.000 2.460 320 E HA 0.285 4.635 4.350 -0.000 0.000 0.200 320 E C 0.671 177.254 176.600 -0.028 0.000 1.011 320 E CA 0.058 56.450 56.400 -0.014 0.000 0.912 320 E CB 0.272 29.974 29.700 0.002 0.000 0.953 320 E HN 0.551 nan 8.360 nan 0.000 0.494 321 A N 3.176 125.972 122.820 -0.041 0.000 2.498 321 A HA 0.196 4.516 4.320 -0.000 0.000 0.239 321 A C -2.136 175.414 177.584 -0.058 0.000 1.068 321 A CA -0.974 51.026 52.037 -0.062 0.000 0.766 321 A CB -0.299 18.653 19.000 -0.079 0.000 1.003 321 A HN -0.094 nan 8.150 nan 0.000 0.497 322 P HA 0.082 nan 4.420 nan 0.000 0.268 322 P C -0.364 176.903 177.300 -0.056 0.000 1.208 322 P CA -0.154 62.911 63.100 -0.057 0.000 0.777 322 P CB 0.352 32.013 31.700 -0.065 0.000 0.875 323 Q N 0.887 120.660 119.800 -0.045 0.000 2.330 323 Q HA 0.178 4.518 4.340 -0.000 0.000 0.279 323 Q C 1.438 177.411 176.000 -0.046 0.000 1.024 323 Q CA 1.174 56.952 55.803 -0.041 0.000 0.900 323 Q CB 0.053 28.772 28.738 -0.033 0.000 1.221 323 Q HN 0.905 nan 8.270 nan 0.000 0.396 324 G N 1.513 110.286 108.800 -0.046 0.000 2.200 324 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.267 324 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.267 324 G C 0.409 175.273 174.900 -0.059 0.000 0.993 324 G CA 0.400 45.472 45.100 -0.047 0.000 0.701 324 G HN 0.896 nan 8.290 nan 0.000 0.524 325 A N -0.389 122.386 122.820 -0.074 0.000 2.425 325 A HA 0.783 5.103 4.320 -0.000 0.000 0.242 325 A C 0.934 178.453 177.584 -0.108 0.000 1.077 325 A CA 1.145 53.123 52.037 -0.099 0.000 0.781 325 A CB 0.159 19.086 19.000 -0.122 0.000 1.020 325 A HN 1.986 nan 8.150 nan 0.000 0.494 326 R N 1.515 121.942 120.500 -0.122 0.000 2.347 326 R HA 0.553 4.893 4.340 -0.000 0.000 0.304 326 R C -0.398 175.801 176.300 -0.169 0.000 1.072 326 R CA -0.117 55.913 56.100 -0.118 0.000 0.980 326 R CB -0.573 29.667 30.300 -0.100 0.000 0.986 326 R HN 0.717 nan 8.270 nan 0.000 0.448 327 L N 2.168 123.306 121.223 -0.142 0.000 2.344 327 L HA 0.669 5.009 4.340 -0.000 0.000 0.272 327 L C -0.105 176.665 176.870 -0.166 0.000 1.035 327 L CA -0.919 53.815 54.840 -0.178 0.000 0.807 327 L CB 1.583 43.569 42.059 -0.121 0.000 1.237 327 L HN 0.515 nan 8.230 nan 0.000 0.442 328 L N 1.710 122.788 121.223 -0.243 0.000 2.410 328 L HA 0.660 5.000 4.340 -0.000 0.000 0.270 328 L C -0.284 176.499 176.870 -0.145 0.000 0.983 328 L CA -0.327 54.371 54.840 -0.236 0.000 0.822 328 L CB 2.387 44.136 42.059 -0.517 0.000 1.285 328 L HN 0.761 nan 8.230 nan 0.000 0.409 329 T N 0.553 115.185 114.554 0.130 0.000 2.838 329 T HA 0.703 5.053 4.350 -0.000 0.000 0.292 329 T C -1.165 173.794 174.700 0.432 0.000 1.113 329 T CA -0.834 61.439 62.100 0.289 0.000 1.008 329 T CB 2.339 71.309 68.868 0.170 0.000 1.259 329 T HN 0.417 nan 8.240 nan 0.000 0.520 330 L N 2.634 124.084 121.223 0.378 0.000 2.580 330 L HA 0.468 4.808 4.340 -0.000 0.000 0.266 330 L C 0.133 177.093 176.870 0.151 0.000 0.955 330 L CA -0.488 54.459 54.840 0.179 0.000 0.886 330 L CB 2.034 44.050 42.059 -0.072 0.000 1.263 330 L HN 1.205 nan 8.230 nan 0.000 0.406 331 S N 2.367 118.131 115.700 0.105 0.000 2.608 331 S HA 0.343 4.813 4.470 -0.000 0.000 0.261 331 S C 1.189 175.864 174.600 0.124 0.000 1.314 331 S CA 0.178 58.450 58.200 0.120 0.000 0.992 331 S CB 1.542 64.797 63.200 0.092 0.000 0.935 331 S HN 0.789 nan 8.310 nan 0.000 0.564 332 G N 0.035 108.927 108.800 0.153 0.000 2.403 332 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.216 332 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.216 332 G C 1.094 176.084 174.900 0.151 0.000 1.154 332 G CA 0.370 45.583 45.100 0.190 0.000 0.784 332 G HN 0.814 nan 8.290 nan 0.000 0.538 333 E N -0.046 120.216 120.200 0.103 0.000 2.209 333 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 333 E C 2.194 178.820 176.600 0.043 0.000 0.993 333 E CA 1.234 57.675 56.400 0.068 0.000 0.819 333 E CB 0.083 29.816 29.700 0.055 0.000 0.745 333 E HN 0.533 nan 8.360 nan 0.000 0.477 334 E N -0.292 119.934 120.200 0.045 0.000 2.127 334 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 334 E C 1.472 178.048 176.600 -0.040 0.000 0.964 334 E CA 0.265 56.664 56.400 -0.003 0.000 0.832 334 E CB -0.247 29.451 29.700 -0.004 0.000 0.790 334 E HN 0.185 nan 8.360 nan 0.000 0.465 335 F N 1.732 121.572 119.950 -0.183 0.000 2.043 335 F HA -0.227 4.300 4.527 0.000 0.000 0.297 335 F C 2.324 178.040 175.800 -0.140 0.000 1.121 335 F CA 2.153 59.995 58.000 -0.263 0.000 1.199 335 F CB -0.522 38.300 39.000 -0.297 0.000 0.968 335 F HN 0.097 nan 8.300 nan 0.000 0.478 336 Q N 0.609 120.381 119.800 -0.047 0.000 2.152 336 Q HA -0.269 4.071 4.340 -0.000 0.000 0.206 336 Q C 2.539 178.440 176.000 -0.165 0.000 0.985 336 Q CA 1.929 57.669 55.803 -0.104 0.000 0.863 336 Q CB -0.439 28.327 28.738 0.046 0.000 0.904 336 Q HN 0.487 nan 8.270 nan 0.000 0.422 337 R N 0.006 120.433 120.500 -0.121 0.000 2.070 337 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 337 R C 2.387 178.596 176.300 -0.152 0.000 1.138 337 R CA 1.386 57.421 56.100 -0.108 0.000 0.936 337 R CB -0.077 30.180 30.300 -0.072 0.000 0.839 337 R HN 0.197 nan 8.270 nan 0.000 0.429 338 R N -0.162 120.219 120.500 -0.199 0.000 2.103 338 R HA -0.155 4.185 4.340 -0.000 0.000 0.242 338 R C 2.391 178.554 176.300 -0.228 0.000 1.142 338 R CA 1.835 57.809 56.100 -0.210 0.000 0.960 338 R CB -0.318 29.838 30.300 -0.240 0.000 0.858 338 R HN 0.288 nan 8.270 nan 0.000 0.439 339 M N 0.104 119.479 119.600 -0.374 0.000 2.117 339 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 339 M C 2.755 179.018 176.300 -0.062 0.000 1.065 339 M CA 2.079 57.211 55.300 -0.280 0.000 1.114 339 M CB -1.090 31.178 32.600 -0.553 0.000 1.361 339 M HN 0.248 nan 8.290 nan 0.000 0.408 340 R N 0.058 120.497 120.500 -0.101 0.000 2.237 340 R HA 0.243 4.583 4.340 -0.000 0.000 0.219 340 R C 1.959 178.219 176.300 -0.067 0.000 1.080 340 R CA 1.552 57.619 56.100 -0.054 0.000 0.995 340 R CB -1.345 28.918 30.300 -0.062 0.000 0.875 340 R HN 0.566 nan 8.270 nan 0.000 0.462 341 A N -2.074 120.697 122.820 -0.081 0.000 2.431 341 A HA 0.501 4.821 4.320 -0.000 0.000 0.239 341 A C 1.825 179.360 177.584 -0.081 0.000 1.230 341 A CA 0.909 52.892 52.037 -0.090 0.000 0.928 341 A CB 0.068 19.012 19.000 -0.093 0.000 1.006 341 A HN 1.579 nan 8.150 nan 0.000 0.520 342 G N -0.389 108.371 108.800 -0.067 0.000 2.136 342 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.242 342 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.242 342 G C 0.109 174.970 174.900 -0.066 0.000 0.989 342 G CA 0.320 45.378 45.100 -0.069 0.000 0.682 342 G HN 0.427 nan 8.290 nan 0.000 0.522 343 L N -0.128 121.048 121.223 -0.078 0.000 2.466 343 L HA 0.374 4.714 4.340 -0.000 0.000 0.257 343 L C 1.271 178.089 176.870 -0.086 0.000 1.189 343 L CA -0.642 54.149 54.840 -0.082 0.000 0.813 343 L CB 0.639 42.642 42.059 -0.093 0.000 1.118 343 L HN 0.202 nan 8.230 nan 0.000 0.471 344 K N 2.071 122.422 120.400 -0.081 0.000 2.412 344 K HA 0.184 4.504 4.320 -0.000 0.000 0.281 344 K C -0.814 175.708 176.600 -0.129 0.000 1.027 344 K CA -0.423 55.813 56.287 -0.086 0.000 0.989 344 K CB 0.501 32.958 32.500 -0.072 0.000 0.935 344 K HN 0.306 nan 8.250 nan 0.000 0.475 345 I N 6.416 126.905 120.570 -0.135 0.000 2.336 345 I HA 0.260 4.430 4.170 -0.000 0.000 0.292 345 I C -1.952 173.996 176.117 -0.282 0.000 0.991 345 I CA -3.015 58.168 61.300 -0.194 0.000 1.227 345 I CB 0.567 38.519 38.000 -0.080 0.000 1.366 345 I HN 0.585 nan 8.210 nan 0.000 0.466 346 P HA 0.136 nan 4.420 nan 0.000 0.266 346 P C 0.964 177.837 177.300 -0.711 0.000 1.193 346 P CA 0.176 62.828 63.100 -0.748 0.000 0.770 346 P CB 0.544 31.308 31.700 -1.561 0.000 0.836 347 E N 2.499 122.405 120.200 -0.490 0.000 2.338 347 E HA -0.139 4.211 4.350 -0.000 0.000 0.197 347 E C 1.133 177.544 176.600 -0.314 0.000 1.007 347 E CA 1.148 57.374 56.400 -0.289 0.000 0.849 347 E CB -1.017 28.614 29.700 -0.114 0.000 0.774 347 E HN 0.794 nan 8.360 nan 0.000 0.506 348 W N -2.076 119.065 121.300 -0.264 0.000 3.278 348 W HA 0.299 4.959 4.660 -0.000 0.000 0.308 348 W C 1.526 177.907 176.519 -0.231 0.000 1.253 348 W CA -0.027 57.052 57.345 -0.443 0.000 1.759 348 W CB -0.409 28.349 29.460 -1.170 0.000 1.093 348 W HN 0.270 nan 8.180 nan 0.000 0.648 349 Y N 2.471 122.467 120.300 -0.507 0.000 2.153 349 Y HA 0.098 4.648 4.550 0.000 0.000 0.289 349 Y C 1.222 176.922 175.900 -0.334 0.000 1.119 349 Y CA 2.090 59.972 58.100 -0.364 0.000 1.116 349 Y CB -0.093 37.990 38.460 -0.628 0.000 1.004 349 Y HN -0.142 nan 8.280 nan 0.000 0.501 350 S N -1.782 113.725 115.700 -0.321 0.000 2.651 350 S HA 0.467 4.937 4.470 -0.000 0.000 0.279 350 S C -1.374 173.000 174.600 -0.377 0.000 1.148 350 S CA -0.887 57.115 58.200 -0.330 0.000 0.837 350 S CB 0.112 63.340 63.200 0.046 0.000 1.138 350 S HN 0.031 nan 8.310 nan 0.000 0.478 351 F N 1.764 121.665 119.950 -0.081 0.000 2.410 351 F HA 0.367 4.894 4.527 0.000 0.000 0.334 351 F C -1.358 174.423 175.800 -0.030 0.000 1.134 351 F CA -1.625 56.323 58.000 -0.088 0.000 1.227 351 F CB 0.006 38.908 39.000 -0.164 0.000 1.194 351 F HN 0.424 nan 8.300 nan 0.000 0.571 352 P HA -0.187 nan 4.420 nan 0.000 0.216 352 P C 1.010 178.372 177.300 0.102 0.000 1.153 352 P CA 1.743 64.903 63.100 0.099 0.000 0.858 352 P CB 0.137 31.879 31.700 0.070 0.000 0.789 353 E N -0.676 119.579 120.200 0.091 0.000 2.058 353 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 353 E C 1.969 178.606 176.600 0.061 0.000 0.997 353 E CA 1.246 57.677 56.400 0.052 0.000 0.801 353 E CB -1.262 28.436 29.700 -0.004 0.000 0.746 353 E HN 0.076 nan 8.360 nan 0.000 0.450 354 V N 1.043 121.006 119.914 0.082 0.000 2.307 354 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 354 V C 2.292 178.461 176.094 0.126 0.000 1.045 354 V CA 1.395 63.738 62.300 0.071 0.000 1.024 354 V CB -0.618 31.250 31.823 0.075 0.000 0.651 354 V HN 0.232 nan 8.190 nan 0.000 0.449 355 L N 0.470 121.793 121.223 0.166 0.000 2.012 355 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 355 L C 2.773 179.722 176.870 0.132 0.000 1.073 355 L CA 1.822 56.763 54.840 0.168 0.000 0.748 355 L CB -0.855 41.304 42.059 0.166 0.000 0.891 355 L HN 0.395 nan 8.230 nan 0.000 0.431 356 A N -0.293 122.607 122.820 0.133 0.000 1.972 356 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 356 A C 2.169 179.829 177.584 0.126 0.000 1.169 356 A CA 1.855 53.974 52.037 0.137 0.000 0.635 356 A CB -0.349 18.707 19.000 0.095 0.000 0.810 356 A HN 0.430 nan 8.150 nan 0.000 0.446 357 E N 0.327 120.586 120.200 0.098 0.000 2.051 357 E HA -0.041 4.309 4.350 -0.000 0.000 0.189 357 E C 1.775 178.431 176.600 0.094 0.000 0.979 357 E CA 1.001 57.453 56.400 0.085 0.000 0.803 357 E CB -0.480 29.257 29.700 0.061 0.000 0.761 357 E HN 0.543 nan 8.360 nan 0.000 0.451 358 L N -0.274 121.001 121.223 0.086 0.000 2.187 358 L HA -0.172 4.168 4.340 -0.000 0.000 0.213 358 L C 2.221 179.116 176.870 0.042 0.000 1.100 358 L CA 1.532 56.412 54.840 0.067 0.000 0.765 358 L CB -0.449 41.664 42.059 0.091 0.000 0.904 358 L HN 0.323 nan 8.230 nan 0.000 0.437 359 H N -0.992 118.122 119.070 0.074 0.000 2.470 359 H HA 0.015 4.571 4.556 -0.000 0.000 0.289 359 H C 2.321 177.673 175.328 0.040 0.000 1.033 359 H CA 0.375 56.448 56.048 0.042 0.000 1.331 359 H CB 0.348 30.126 29.762 0.026 0.000 1.414 359 H HN 0.153 nan 8.280 nan 0.000 0.545 360 R N 0.283 120.882 120.500 0.165 0.000 2.115 360 R HA -0.101 4.239 4.340 -0.000 0.000 0.226 360 R C 1.954 178.308 176.300 0.089 0.000 1.100 360 R CA 1.183 57.346 56.100 0.105 0.000 0.980 360 R CB 0.106 30.455 30.300 0.081 0.000 0.875 360 R HN 0.515 nan 8.270 nan 0.000 0.445 361 Q N -0.455 119.402 119.800 0.095 0.000 2.033 361 Q HA -0.036 4.304 4.340 -0.000 0.000 0.196 361 Q C 0.436 176.487 176.000 0.085 0.000 0.970 361 Q CA 1.400 57.252 55.803 0.081 0.000 0.828 361 Q CB 0.386 29.174 28.738 0.084 0.000 0.895 361 Q HN 0.209 nan 8.270 nan 0.000 0.440 362 T N -0.367 114.248 114.554 0.102 0.000 3.009 362 T HA 0.470 4.820 4.350 -0.000 0.000 0.346 362 T C -2.854 171.941 174.700 0.157 0.000 1.092 362 T CA -2.084 60.079 62.100 0.105 0.000 1.080 362 T CB 1.527 70.445 68.868 0.083 0.000 1.037 362 T HN -0.182 nan 8.240 nan 0.000 0.487 363 P HA 0.420 nan 4.420 nan 0.000 0.274 363 P C -2.628 174.742 177.300 0.117 0.000 1.246 363 P CA -1.565 61.624 63.100 0.147 0.000 0.795 363 P CB -0.337 31.414 31.700 0.085 0.000 1.006 364 P HA 0.190 nan 4.420 nan 0.000 0.272 364 P C 0.962 178.263 177.300 0.001 0.000 1.223 364 P CA -0.113 62.989 63.100 0.002 0.000 0.784 364 P CB 0.541 32.193 31.700 -0.080 0.000 0.923 365 R N 1.357 121.824 120.500 -0.055 0.000 2.103 365 R HA -0.241 4.099 4.340 -0.000 0.000 0.242 365 R C 1.943 178.233 176.300 -0.017 0.000 1.142 365 R CA 1.816 57.855 56.100 -0.101 0.000 0.960 365 R CB -0.593 29.450 30.300 -0.428 0.000 0.858 365 R HN 0.631 nan 8.270 nan 0.000 0.439 366 E N 0.333 120.496 120.200 -0.063 0.000 2.236 366 E HA -0.270 4.080 4.350 -0.000 0.000 0.205 366 E C 1.621 178.253 176.600 0.054 0.000 1.028 366 E CA 1.634 58.024 56.400 -0.016 0.000 0.827 366 E CB 0.078 29.750 29.700 -0.047 0.000 0.735 366 E HN 0.139 nan 8.360 nan 0.000 0.470 367 R N -0.623 119.916 120.500 0.066 0.000 2.521 367 R HA 0.112 4.452 4.340 -0.000 0.000 0.289 367 R C 0.014 176.387 176.300 0.121 0.000 0.936 367 R CA 0.017 56.161 56.100 0.074 0.000 1.089 367 R CB 0.544 30.849 30.300 0.009 0.000 1.348 367 R HN 0.201 nan 8.270 nan 0.000 0.536 368 Q N -0.971 118.935 119.800 0.176 0.000 2.316 368 Q HA 0.457 4.797 4.340 -0.000 0.000 0.215 368 Q C 0.097 176.271 176.000 0.290 0.000 1.020 368 Q CA -0.619 55.306 55.803 0.204 0.000 0.970 368 Q CB 0.818 29.679 28.738 0.205 0.000 1.187 368 Q HN 0.046 nan 8.270 nan 0.000 0.546 369 G N 0.210 109.137 108.800 0.211 0.000 2.504 369 G HA2 0.555 4.515 3.960 -0.000 0.000 0.288 369 G HA3 0.555 4.515 3.960 -0.000 0.000 0.288 369 G C -1.026 174.028 174.900 0.257 0.000 1.182 369 G CA -0.675 44.513 45.100 0.146 0.000 0.894 369 G HN 0.643 nan 8.290 nan 0.000 0.521 370 F N -1.438 118.456 119.950 -0.094 0.000 2.725 370 F HA 0.645 5.172 4.527 -0.000 0.000 0.309 370 F C -0.407 175.316 175.800 -0.127 0.000 1.132 370 F CA -1.235 56.660 58.000 -0.175 0.000 0.957 370 F CB 1.158 39.853 39.000 -0.508 0.000 1.286 370 F HN 0.702 nan 8.300 nan 0.000 0.440 371 T N 0.246 114.804 114.554 0.007 0.000 2.859 371 T HA 0.746 5.096 4.350 -0.000 0.000 0.281 371 T C -1.159 173.499 174.700 -0.070 0.000 1.005 371 T CA -0.700 61.369 62.100 -0.052 0.000 1.025 371 T CB 1.542 70.465 68.868 0.092 0.000 0.977 371 T HN 0.745 nan 8.240 nan 0.000 0.458 372 V N 4.397 124.270 119.914 -0.069 0.000 2.350 372 V HA 0.443 4.563 4.120 -0.000 0.000 0.276 372 V C -0.751 175.292 176.094 -0.084 0.000 1.028 372 V CA -0.748 61.483 62.300 -0.116 0.000 0.860 372 V CB 0.441 32.235 31.823 -0.049 0.000 0.990 372 V HN 0.907 nan 8.190 nan 0.000 0.453 373 F N 6.146 125.877 119.950 -0.366 0.000 2.325 373 F HA 0.597 5.124 4.527 -0.000 0.000 0.369 373 F C -0.273 175.472 175.800 -0.091 0.000 1.095 373 F CA -0.876 57.024 58.000 -0.167 0.000 1.082 373 F CB 0.655 39.491 39.000 -0.274 0.000 1.289 373 F HN 0.352 nan 8.300 nan 0.000 0.462 374 F N 3.136 123.030 119.950 -0.093 0.000 2.427 374 F HA 0.402 4.929 4.527 -0.000 0.000 0.352 374 F C 0.739 176.603 175.800 0.106 0.000 1.100 374 F CA -0.094 57.916 58.000 0.017 0.000 1.191 374 F CB 1.286 40.262 39.000 -0.039 0.000 1.128 374 F HN 0.280 nan 8.300 nan 0.000 0.533 375 T N 1.619 116.397 114.554 0.373 0.000 2.909 375 T HA 0.825 5.175 4.350 -0.000 0.000 0.299 375 T C -0.307 174.633 174.700 0.400 0.000 1.073 375 T CA 0.025 62.352 62.100 0.377 0.000 0.999 375 T CB 1.427 70.537 68.868 0.402 0.000 1.098 375 T HN 1.010 nan 8.240 nan 0.000 0.477 376 G N 0.719 109.728 108.800 0.349 0.000 2.360 376 G HA2 0.564 4.524 3.960 -0.000 0.000 0.276 376 G HA3 0.564 4.524 3.960 -0.000 0.000 0.276 376 G C -0.858 174.048 174.900 0.010 0.000 1.256 376 G CA -0.035 45.233 45.100 0.280 0.000 0.890 376 G HN 1.308 nan 8.290 nan 0.000 0.486 377 L N -0.382 120.774 121.223 -0.112 0.000 2.544 377 L HA 0.874 5.214 4.340 -0.000 0.000 0.256 377 L C 1.900 178.723 176.870 -0.078 0.000 1.097 377 L CA 0.570 55.294 54.840 -0.194 0.000 0.812 377 L CB 0.423 42.313 42.059 -0.282 0.000 1.440 377 L HN 1.780 nan 8.230 nan 0.000 0.496 378 S N -0.921 114.736 115.700 -0.072 0.000 2.859 378 S HA 0.228 4.698 4.470 -0.000 0.000 0.245 378 S C 1.053 175.628 174.600 -0.042 0.000 1.008 378 S CA 0.268 58.442 58.200 -0.043 0.000 1.089 378 S CB -1.240 61.936 63.200 -0.040 0.000 0.798 378 S HN 1.761 nan 8.310 nan 0.000 0.477 379 G N 0.815 109.590 108.800 -0.043 0.000 3.392 379 G HA2 0.428 4.388 3.960 -0.000 0.000 0.247 379 G HA3 0.428 4.388 3.960 -0.000 0.000 0.247 379 G C 0.574 175.458 174.900 -0.026 0.000 1.161 379 G CA -0.218 44.863 45.100 -0.032 0.000 1.739 379 G HN 0.709 nan 8.290 nan 0.000 0.619 380 A N 0.535 123.336 122.820 -0.032 0.000 2.900 380 A HA 0.428 4.748 4.320 -0.000 0.000 0.246 380 A C 2.045 179.596 177.584 -0.056 0.000 1.725 380 A CA 0.359 52.373 52.037 -0.040 0.000 1.400 380 A CB -0.370 18.605 19.000 -0.043 0.000 0.973 380 A HN 0.487 nan 8.150 nan 0.000 0.635 381 G N 0.116 108.889 108.800 -0.044 0.000 2.527 381 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 381 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 381 G C 1.468 176.318 174.900 -0.083 0.000 1.117 381 G CA 0.874 45.943 45.100 -0.052 0.000 0.759 381 G HN 0.658 nan 8.290 nan 0.000 0.556 382 K N 0.416 120.773 120.400 -0.072 0.000 2.015 382 K HA -0.165 4.155 4.320 -0.000 0.000 0.220 382 K C 2.866 179.259 176.600 -0.346 0.000 1.055 382 K CA 1.773 57.972 56.287 -0.147 0.000 0.951 382 K CB -0.367 32.099 32.500 -0.057 0.000 0.725 382 K HN 0.254 nan 8.250 nan 0.000 0.449 383 S N 0.136 115.696 115.700 -0.233 0.000 2.374 383 S HA -0.149 4.321 4.470 -0.000 0.000 0.227 383 S C 1.955 176.408 174.600 -0.244 0.000 1.037 383 S CA 1.978 60.033 58.200 -0.242 0.000 1.024 383 S CB -0.408 62.705 63.200 -0.144 0.000 0.861 383 S HN 0.436 nan 8.310 nan 0.000 0.456 384 T N 2.421 116.867 114.554 -0.180 0.000 2.746 384 T HA 0.026 4.376 4.350 -0.000 0.000 0.267 384 T C 1.790 176.392 174.700 -0.163 0.000 1.039 384 T CA 0.868 62.886 62.100 -0.137 0.000 1.142 384 T CB -0.440 68.376 68.868 -0.087 0.000 0.866 384 T HN 0.228 nan 8.240 nan 0.000 0.444 385 L N 0.701 121.798 121.223 -0.209 0.000 2.017 385 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 385 L C 3.122 179.789 176.870 -0.338 0.000 1.073 385 L CA 1.380 56.110 54.840 -0.184 0.000 0.745 385 L CB -0.741 41.270 42.059 -0.081 0.000 0.894 385 L HN 0.302 nan 8.230 nan 0.000 0.432 386 A N -0.130 122.204 122.820 -0.810 0.000 1.873 386 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 386 A C 2.344 179.781 177.584 -0.245 0.000 1.193 386 A CA 1.917 53.516 52.037 -0.731 0.000 0.629 386 A CB -0.638 17.880 19.000 -0.804 0.000 0.826 386 A HN 0.324 nan 8.150 nan 0.000 0.447 387 R N -0.901 119.477 120.500 -0.204 0.000 2.091 387 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 387 R C 2.475 178.736 176.300 -0.066 0.000 1.136 387 R CA 1.388 57.421 56.100 -0.110 0.000 0.959 387 R CB -0.436 29.806 30.300 -0.096 0.000 0.856 387 R HN 0.548 nan 8.270 nan 0.000 0.437 388 A N 0.973 123.757 122.820 -0.060 0.000 1.930 388 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 388 A C 2.080 179.669 177.584 0.009 0.000 1.175 388 A CA 0.825 52.849 52.037 -0.021 0.000 0.627 388 A CB -0.480 18.512 19.000 -0.014 0.000 0.815 388 A HN 0.293 nan 8.150 nan 0.000 0.443 389 L N -0.607 120.638 121.223 0.037 0.000 2.093 389 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 389 L C 2.762 179.666 176.870 0.057 0.000 1.085 389 L CA 1.757 56.652 54.840 0.091 0.000 0.755 389 L CB -0.866 41.329 42.059 0.227 0.000 0.904 389 L HN 0.434 nan 8.230 nan 0.000 0.435 390 A N 0.234 123.068 122.820 0.024 0.000 1.873 390 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 390 A C 2.508 180.090 177.584 -0.004 0.000 1.193 390 A CA 2.143 54.178 52.037 -0.002 0.000 0.629 390 A CB -0.952 18.031 19.000 -0.028 0.000 0.826 390 A HN 0.561 nan 8.150 nan 0.000 0.447 391 A N -0.564 122.252 122.820 -0.007 0.000 1.873 391 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 391 A C 2.262 179.848 177.584 0.003 0.000 1.193 391 A CA 1.863 53.896 52.037 -0.006 0.000 0.629 391 A CB -0.538 18.457 19.000 -0.009 0.000 0.826 391 A HN 0.439 nan 8.150 nan 0.000 0.447 392 R N -0.341 120.167 120.500 0.013 0.000 2.082 392 R HA -0.084 4.256 4.340 -0.000 0.000 0.234 392 R C 2.140 178.455 176.300 0.026 0.000 1.136 392 R CA 1.537 57.649 56.100 0.020 0.000 0.935 392 R CB -1.323 28.995 30.300 0.029 0.000 0.842 392 R HN 0.618 nan 8.270 nan 0.000 0.430 393 L N 0.501 121.745 121.223 0.035 0.000 2.261 393 L HA -0.138 4.202 4.340 -0.000 0.000 0.216 393 L C 2.486 179.368 176.870 0.021 0.000 1.114 393 L CA 1.003 55.869 54.840 0.043 0.000 0.777 393 L CB -0.398 41.690 42.059 0.049 0.000 0.910 393 L HN 0.209 nan 8.230 nan 0.000 0.440 394 M N -0.946 118.658 119.600 0.006 0.000 2.394 394 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 394 M C 1.773 178.074 176.300 0.001 0.000 1.073 394 M CA 1.189 56.487 55.300 -0.004 0.000 1.111 394 M CB -0.219 32.374 32.600 -0.011 0.000 1.401 394 M HN 0.215 nan 8.290 nan 0.000 0.448 395 E N 0.257 120.461 120.200 0.007 0.000 2.401 395 E HA -0.157 4.193 4.350 -0.000 0.000 0.199 395 E C 1.773 178.379 176.600 0.011 0.000 1.023 395 E CA 0.896 57.301 56.400 0.008 0.000 0.859 395 E CB -0.041 29.665 29.700 0.010 0.000 0.780 395 E HN 0.599 nan 8.360 nan 0.000 0.523 396 M N -0.613 118.996 119.600 0.016 0.000 2.429 396 M HA 0.111 4.591 4.480 -0.000 0.000 0.265 396 M C 1.162 177.472 176.300 0.016 0.000 1.120 396 M CA 0.700 56.013 55.300 0.022 0.000 1.173 396 M CB 0.217 32.842 32.600 0.040 0.000 1.343 396 M HN 0.133 nan 8.290 nan 0.000 0.464 397 G N -0.289 108.517 108.800 0.010 0.000 2.877 397 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.279 397 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.279 397 G C 0.530 175.437 174.900 0.010 0.000 1.431 397 G CA -0.218 44.885 45.100 0.005 0.000 0.883 397 G HN 0.828 nan 8.290 nan 0.000 0.547 398 G N -0.948 107.855 108.800 0.005 0.000 3.329 398 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 398 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 398 G C 0.538 175.442 174.900 0.007 0.000 1.358 398 G CA 1.432 46.537 45.100 0.009 0.000 0.856 398 G HN 1.426 nan 8.290 nan 0.000 0.551 399 R N -0.023 120.482 120.500 0.009 0.000 2.514 399 R HA 0.602 4.942 4.340 -0.000 0.000 0.301 399 R C -0.347 175.931 176.300 -0.037 0.000 0.962 399 R CA -0.474 55.619 56.100 -0.011 0.000 0.882 399 R CB 1.686 31.987 30.300 0.001 0.000 1.143 399 R HN 0.307 nan 8.270 nan 0.000 0.452 400 C N 2.697 121.965 119.300 -0.053 0.000 2.601 400 C HA 0.304 4.764 4.460 -0.000 0.000 0.409 400 C C 0.479 175.413 174.990 -0.093 0.000 1.293 400 C CA -0.576 58.405 59.018 -0.062 0.000 2.101 400 C CB 0.410 28.115 27.740 -0.057 0.000 2.639 400 C HN 0.463 nan 8.230 nan 0.000 0.592 401 V N 3.936 123.800 119.914 -0.084 0.000 2.427 401 V HA 0.461 4.581 4.120 -0.000 0.000 0.286 401 V C 0.261 176.303 176.094 -0.087 0.000 1.034 401 V CA -0.028 62.210 62.300 -0.103 0.000 0.893 401 V CB 1.746 33.520 31.823 -0.082 0.000 0.982 401 V HN 1.001 nan 8.190 nan 0.000 0.452 402 T N 5.858 120.353 114.554 -0.098 0.000 2.812 402 T HA 0.473 4.823 4.350 -0.000 0.000 0.282 402 T C -0.471 174.187 174.700 -0.071 0.000 0.990 402 T CA -0.322 61.731 62.100 -0.078 0.000 0.960 402 T CB 1.310 70.129 68.868 -0.081 0.000 0.948 402 T HN 0.448 nan 8.240 nan 0.000 0.438 403 L N 4.717 125.906 121.223 -0.058 0.000 2.259 403 L HA 0.442 4.782 4.340 -0.000 0.000 0.288 403 L C -0.455 176.386 176.870 -0.050 0.000 1.051 403 L CA -0.613 54.192 54.840 -0.058 0.000 0.824 403 L CB 0.242 42.266 42.059 -0.057 0.000 1.206 403 L HN 0.567 nan 8.230 nan 0.000 0.429 404 L N 5.360 126.552 121.223 -0.053 0.000 2.387 404 L HA 0.149 4.489 4.340 -0.000 0.000 0.267 404 L C -0.066 176.771 176.870 -0.054 0.000 1.197 404 L CA 0.068 54.884 54.840 -0.040 0.000 1.070 404 L CB 0.211 42.250 42.059 -0.032 0.000 1.349 404 L HN 0.666 nan 8.230 nan 0.000 0.422 405 D N 0.508 120.879 120.400 -0.048 0.000 3.045 405 D HA 0.165 4.805 4.640 -0.000 0.000 0.196 405 D C 1.250 177.527 176.300 -0.038 0.000 1.520 405 D CA 0.763 54.727 54.000 -0.061 0.000 1.466 405 D CB 0.170 40.914 40.800 -0.094 0.000 1.152 405 D HN 0.249 nan 8.370 nan 0.000 0.254 406 G N 0.405 109.184 108.800 -0.036 0.000 2.672 406 G HA2 0.006 3.966 3.960 -0.000 0.000 0.200 406 G HA3 0.006 3.966 3.960 -0.000 0.000 0.200 406 G C 0.842 175.730 174.900 -0.020 0.000 1.819 406 G CA 0.779 45.862 45.100 -0.028 0.000 0.902 406 G HN 0.238 nan 8.290 nan 0.000 0.512 407 D N 0.597 120.984 120.400 -0.022 0.000 2.106 407 D HA -0.159 4.481 4.640 -0.000 0.000 0.191 407 D C 2.484 178.767 176.300 -0.029 0.000 0.997 407 D CA 0.888 54.870 54.000 -0.030 0.000 0.834 407 D CB -0.363 40.420 40.800 -0.027 0.000 0.956 407 D HN 0.287 nan 8.370 nan 0.000 0.448 408 I N 0.804 121.382 120.570 0.013 0.000 2.074 408 I HA -0.326 3.844 4.170 -0.000 0.000 0.238 408 I C 2.592 178.764 176.117 0.092 0.000 1.037 408 I CA 1.307 62.664 61.300 0.094 0.000 1.301 408 I CB -0.213 37.834 38.000 0.079 0.000 1.016 408 I HN -0.085 nan 8.210 nan 0.000 0.400 409 V N 0.522 120.461 119.914 0.041 0.000 2.358 409 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 409 V C 3.030 179.125 176.094 0.001 0.000 1.047 409 V CA 2.368 64.689 62.300 0.034 0.000 1.035 409 V CB -1.317 30.516 31.823 0.016 0.000 0.658 409 V HN 0.533 nan 8.190 nan 0.000 0.452 410 R N 0.408 120.894 120.500 -0.023 0.000 2.103 410 R HA -0.240 4.100 4.340 -0.000 0.000 0.234 410 R C 2.279 178.525 176.300 -0.090 0.000 1.132 410 R CA 2.109 58.182 56.100 -0.046 0.000 0.925 410 R CB -1.337 28.937 30.300 -0.043 0.000 0.842 410 R HN 0.409 nan 8.270 nan 0.000 0.430 411 R N 0.159 120.559 120.500 -0.167 0.000 2.159 411 R HA -0.147 4.193 4.340 -0.000 0.000 0.249 411 R C 2.016 178.078 176.300 -0.396 0.000 1.136 411 R CA 2.328 58.218 56.100 -0.349 0.000 0.951 411 R CB -0.801 29.164 30.300 -0.559 0.000 0.876 411 R HN 0.849 nan 8.270 nan 0.000 0.440 412 H N -2.458 116.605 119.070 -0.013 0.000 2.545 412 H HA 0.160 4.716 4.556 -0.000 0.000 0.283 412 H C 1.601 176.926 175.328 -0.006 0.000 0.997 412 H CA 0.278 56.320 56.048 -0.009 0.000 1.269 412 H CB 0.087 29.844 29.762 -0.008 0.000 1.451 412 H HN 0.019 nan 8.280 nan 0.000 0.508 413 L N 0.896 122.181 121.223 0.103 0.000 2.470 413 L HA 0.127 4.467 4.340 -0.000 0.000 0.219 413 L C 0.714 177.594 176.870 0.015 0.000 1.071 413 L CA 0.800 55.681 54.840 0.069 0.000 0.850 413 L CB 0.489 42.593 42.059 0.075 0.000 1.040 413 L HN 0.125 nan 8.230 nan 0.000 0.475 414 S N -2.492 113.201 115.700 -0.013 0.000 2.598 414 S HA 0.084 4.554 4.470 -0.000 0.000 0.209 414 S C 1.266 175.827 174.600 -0.064 0.000 1.029 414 S CA 0.105 58.273 58.200 -0.054 0.000 1.172 414 S CB -0.331 62.830 63.200 -0.064 0.000 1.427 414 S HN 0.242 nan 8.310 nan 0.000 0.418 415 S N 1.329 116.998 115.700 -0.052 0.000 2.400 415 S HA -0.172 4.298 4.470 -0.000 0.000 0.234 415 S C 0.384 174.947 174.600 -0.061 0.000 1.049 415 S CA 1.409 59.575 58.200 -0.056 0.000 1.039 415 S CB -0.419 62.754 63.200 -0.045 0.000 0.856 415 S HN 0.747 nan 8.310 nan 0.000 0.465 416 E N -0.212 119.947 120.200 -0.069 0.000 2.551 416 E HA 0.581 4.931 4.350 -0.000 0.000 0.321 416 E C -1.641 174.905 176.600 -0.090 0.000 0.975 416 E CA -0.020 56.335 56.400 -0.076 0.000 0.784 416 E CB 1.543 31.216 29.700 -0.047 0.000 1.493 416 E HN 0.324 nan 8.360 nan 0.000 0.385 417 L N 1.218 122.359 121.223 -0.136 0.000 2.319 417 L HA 0.758 5.098 4.340 -0.000 0.000 0.267 417 L C 1.075 177.885 176.870 -0.100 0.000 1.011 417 L CA -0.772 53.997 54.840 -0.118 0.000 0.818 417 L CB 1.709 43.627 42.059 -0.236 0.000 1.316 417 L HN 0.572 nan 8.230 nan 0.000 0.432 418 G N -0.069 108.854 108.800 0.204 0.000 2.580 418 G HA2 0.168 4.128 3.960 -0.000 0.000 0.225 418 G HA3 0.168 4.128 3.960 -0.000 0.000 0.225 418 G C -0.113 174.504 174.900 -0.472 0.000 1.521 418 G CA 0.045 45.047 45.100 -0.163 0.000 1.068 418 G HN 0.503 nan 8.290 nan 0.000 0.564 419 F N 0.314 120.294 119.950 0.050 0.000 2.735 419 F HA 0.284 4.811 4.527 0.000 0.000 0.308 419 F C 1.247 177.064 175.800 0.029 0.000 1.112 419 F CA -0.471 57.555 58.000 0.043 0.000 1.235 419 F CB 0.558 39.576 39.000 0.029 0.000 1.027 419 F HN 0.070 nan 8.300 nan 0.000 0.528 420 S N 0.633 116.394 115.700 0.101 0.000 2.560 420 S HA -0.057 4.413 4.470 -0.000 0.000 0.276 420 S C 1.480 176.127 174.600 0.078 0.000 1.350 420 S CA -0.285 57.941 58.200 0.043 0.000 1.024 420 S CB 0.981 64.123 63.200 -0.097 0.000 0.864 420 S HN 0.336 nan 8.310 nan 0.000 0.536 421 K N 1.561 122.000 120.400 0.065 0.000 1.987 421 K HA -0.193 4.127 4.320 -0.000 0.000 0.216 421 K C 2.382 178.999 176.600 0.028 0.000 1.051 421 K CA 1.593 57.913 56.287 0.054 0.000 0.942 421 K CB -0.554 32.007 32.500 0.102 0.000 0.722 421 K HN 0.712 nan 8.250 nan 0.000 0.444 422 A N 0.491 123.345 122.820 0.057 0.000 2.015 422 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 422 A C 1.800 179.463 177.584 0.130 0.000 1.163 422 A CA 1.288 53.369 52.037 0.072 0.000 0.646 422 A CB -0.738 18.311 19.000 0.081 0.000 0.806 422 A HN 0.385 nan 8.150 nan 0.000 0.448 423 H N -1.313 117.743 119.070 -0.024 0.000 2.353 423 H HA -0.072 4.484 4.556 -0.000 0.000 0.300 423 H C 2.238 177.540 175.328 -0.044 0.000 1.090 423 H CA 1.048 57.071 56.048 -0.042 0.000 1.327 423 H CB 0.236 29.959 29.762 -0.064 0.000 1.383 423 H HN 0.226 nan 8.280 nan 0.000 0.508 424 R N 0.772 121.322 120.500 0.083 0.000 2.115 424 R HA -0.092 4.248 4.340 -0.000 0.000 0.226 424 R C 1.847 178.137 176.300 -0.017 0.000 1.100 424 R CA 0.778 56.893 56.100 0.027 0.000 0.980 424 R CB -0.768 29.556 30.300 0.041 0.000 0.875 424 R HN 0.447 nan 8.270 nan 0.000 0.445 425 D N 0.060 120.434 120.400 -0.043 0.000 2.117 425 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 425 D C 1.767 178.060 176.300 -0.012 0.000 0.987 425 D CA 0.771 54.739 54.000 -0.053 0.000 0.829 425 D CB 0.053 40.821 40.800 -0.053 0.000 0.961 425 D HN -0.028 nan 8.370 nan 0.000 0.460 426 V N 0.486 120.390 119.914 -0.015 0.000 2.358 426 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 426 V C 2.279 178.358 176.094 -0.025 0.000 1.047 426 V CA 1.862 64.143 62.300 -0.032 0.000 1.035 426 V CB -0.588 31.187 31.823 -0.081 0.000 0.658 426 V HN 0.254 nan 8.190 nan 0.000 0.452 427 N N 0.336 119.017 118.700 -0.033 0.000 2.005 427 N HA -0.199 4.541 4.740 -0.000 0.000 0.199 427 N C 1.749 177.287 175.510 0.047 0.000 1.054 427 N CA 2.490 55.536 53.050 -0.006 0.000 0.864 427 N CB -0.881 37.606 38.487 0.000 0.000 1.063 427 N HN 0.212 nan 8.380 nan 0.000 0.428 428 V N 1.073 121.026 119.914 0.065 0.000 2.277 428 V HA -0.295 3.825 4.120 -0.000 0.000 0.253 428 V C 2.555 178.735 176.094 0.144 0.000 1.067 428 V CA 2.106 64.484 62.300 0.130 0.000 1.047 428 V CB -0.457 31.441 31.823 0.125 0.000 0.649 428 V HN 0.404 nan 8.190 nan 0.000 0.447 429 R N -1.126 119.427 120.500 0.090 0.000 2.148 429 R HA -0.117 4.223 4.340 -0.000 0.000 0.223 429 R C 2.386 178.767 176.300 0.135 0.000 1.088 429 R CA 1.081 57.239 56.100 0.097 0.000 0.985 429 R CB -0.281 30.046 30.300 0.045 0.000 0.880 429 R HN 0.390 nan 8.270 nan 0.000 0.451 430 R N 1.383 121.947 120.500 0.106 0.000 2.080 430 R HA -0.101 4.239 4.340 -0.000 0.000 0.236 430 R C 1.973 178.395 176.300 0.203 0.000 1.137 430 R CA 1.613 57.795 56.100 0.138 0.000 0.943 430 R CB -0.440 29.904 30.300 0.073 0.000 0.846 430 R HN 0.158 nan 8.270 nan 0.000 0.431 431 I N -0.386 120.283 120.570 0.165 0.000 2.315 431 I HA -0.108 4.062 4.170 -0.000 0.000 0.248 431 I C 2.236 178.480 176.117 0.211 0.000 1.117 431 I CA 1.307 62.703 61.300 0.161 0.000 1.404 431 I CB -0.612 37.467 38.000 0.131 0.000 1.071 431 I HN 0.473 nan 8.210 nan 0.000 0.419 432 G N 0.776 109.737 108.800 0.269 0.000 2.450 432 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.220 432 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.220 432 G C 1.557 176.583 174.900 0.210 0.000 1.130 432 G CA 0.463 45.723 45.100 0.267 0.000 0.760 432 G HN 0.330 nan 8.290 nan 0.000 0.557 433 F N 1.210 121.203 119.950 0.072 0.000 2.098 433 F HA -0.003 4.524 4.527 -0.000 0.000 0.294 433 F C 2.633 178.456 175.800 0.039 0.000 1.107 433 F CA 1.211 59.237 58.000 0.043 0.000 1.234 433 F CB -0.467 38.548 39.000 0.025 0.000 1.002 433 F HN -0.006 nan 8.300 nan 0.000 0.472 434 V N 0.830 120.650 119.914 -0.157 0.000 2.343 434 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 434 V C 2.791 178.768 176.094 -0.195 0.000 1.051 434 V CA 1.737 63.874 62.300 -0.273 0.000 1.036 434 V CB -1.587 30.194 31.823 -0.070 0.000 0.654 434 V HN 0.509 nan 8.190 nan 0.000 0.451 435 A N 0.851 123.638 122.820 -0.054 0.000 1.892 435 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 435 A C 2.592 180.150 177.584 -0.044 0.000 1.188 435 A CA 2.754 54.785 52.037 -0.009 0.000 0.631 435 A CB -0.989 18.084 19.000 0.123 0.000 0.822 435 A HN 0.714 nan 8.150 nan 0.000 0.447 436 S N -0.242 115.428 115.700 -0.051 0.000 2.370 436 S HA -0.223 4.247 4.470 -0.000 0.000 0.226 436 S C 1.700 176.226 174.600 -0.123 0.000 1.033 436 S CA 1.517 59.687 58.200 -0.049 0.000 1.011 436 S CB -0.534 62.660 63.200 -0.010 0.000 0.852 436 S HN 0.580 nan 8.310 nan 0.000 0.457 437 E N 1.380 121.422 120.200 -0.264 0.000 2.085 437 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 437 E C 2.229 178.738 176.600 -0.153 0.000 0.994 437 E CA 1.098 57.353 56.400 -0.242 0.000 0.801 437 E CB -0.436 29.045 29.700 -0.366 0.000 0.743 437 E HN 0.503 nan 8.360 nan 0.000 0.453 438 I N 1.106 121.589 120.570 -0.146 0.000 2.264 438 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 438 I C 2.669 178.731 176.117 -0.093 0.000 1.111 438 I CA 1.774 63.005 61.300 -0.115 0.000 1.382 438 I CB -1.746 36.185 38.000 -0.115 0.000 1.060 438 I HN 0.191 nan 8.210 nan 0.000 0.418 439 T N -0.496 114.016 114.554 -0.071 0.000 2.939 439 T HA -0.119 4.231 4.350 -0.000 0.000 0.254 439 T C 2.006 176.702 174.700 -0.007 0.000 1.041 439 T CA 0.933 63.010 62.100 -0.038 0.000 1.142 439 T CB -0.066 68.803 68.868 0.002 0.000 0.874 439 T HN 0.258 nan 8.240 nan 0.000 0.452 440 K N 0.831 121.223 120.400 -0.014 0.000 2.107 440 K HA -0.188 4.132 4.320 -0.000 0.000 0.211 440 K C 1.613 178.204 176.600 -0.015 0.000 1.049 440 K CA 1.798 58.080 56.287 -0.009 0.000 0.927 440 K CB -0.376 32.106 32.500 -0.030 0.000 0.714 440 K HN 0.311 nan 8.250 nan 0.000 0.452 441 N N 0.824 119.502 118.700 -0.037 0.000 2.362 441 N HA 0.028 4.768 4.740 -0.000 0.000 0.204 441 N C -0.477 175.018 175.510 -0.026 0.000 1.166 441 N CA 0.207 53.235 53.050 -0.037 0.000 0.831 441 N CB 0.156 38.609 38.487 -0.056 0.000 1.008 441 N HN 0.222 nan 8.380 nan 0.000 0.472 442 R N -1.256 119.237 120.500 -0.011 0.000 3.654 442 R HA -0.115 4.225 4.340 -0.000 0.000 0.302 442 R C 0.403 176.687 176.300 -0.027 0.000 1.166 442 R CA 0.558 56.661 56.100 0.005 0.000 0.810 442 R CB -1.783 28.527 30.300 0.016 0.000 1.323 442 R HN 0.220 nan 8.270 nan 0.000 0.478 443 G N 0.446 109.205 108.800 -0.070 0.000 2.521 443 G HA2 0.687 4.647 3.960 -0.000 0.000 0.323 443 G HA3 0.687 4.647 3.960 -0.000 0.000 0.323 443 G C -0.138 174.618 174.900 -0.240 0.000 1.211 443 G CA -0.603 44.423 45.100 -0.123 0.000 0.979 443 G HN 0.234 nan 8.290 nan 0.000 0.490 444 I N -0.926 119.441 120.570 -0.339 0.000 2.378 444 I HA 0.779 4.949 4.170 -0.000 0.000 0.291 444 I C -0.204 175.695 176.117 -0.364 0.000 0.992 444 I CA -1.032 59.907 61.300 -0.603 0.000 1.154 444 I CB 1.810 39.185 38.000 -1.043 0.000 1.315 444 I HN 0.526 nan 8.210 nan 0.000 0.448 445 A N 7.997 130.637 122.820 -0.300 0.000 2.304 445 A HA 0.767 5.087 4.320 -0.000 0.000 0.323 445 A C -0.693 176.821 177.584 -0.115 0.000 1.195 445 A CA -0.626 51.316 52.037 -0.158 0.000 0.826 445 A CB 0.792 19.738 19.000 -0.089 0.000 1.184 445 A HN 0.794 nan 8.150 nan 0.000 0.496 446 I N 2.237 122.763 120.570 -0.073 0.000 2.355 446 I HA 0.324 4.494 4.170 -0.000 0.000 0.288 446 I C -0.819 175.282 176.117 -0.027 0.000 0.999 446 I CA -0.237 61.060 61.300 -0.006 0.000 1.163 446 I CB 1.427 39.445 38.000 0.031 0.000 1.316 446 I HN 0.568 nan 8.210 nan 0.000 0.454 447 C N 5.055 124.322 119.300 -0.055 0.000 2.441 447 C HA 0.807 5.267 4.460 -0.000 0.000 0.318 447 C C 0.563 175.364 174.990 -0.314 0.000 1.222 447 C CA -0.616 58.271 59.018 -0.219 0.000 1.474 447 C CB 1.108 28.587 27.740 -0.434 0.000 2.125 447 C HN 0.822 nan 8.230 nan 0.000 0.479 448 A N 4.098 126.766 122.820 -0.253 0.000 3.355 448 A HA 0.560 4.880 4.320 -0.000 0.000 0.290 448 A C -2.187 175.314 177.584 -0.138 0.000 0.973 448 A CA -0.678 51.240 52.037 -0.198 0.000 0.933 448 A CB -0.086 18.784 19.000 -0.216 0.000 1.138 448 A HN 0.735 nan 8.150 nan 0.000 0.490 449 P HA 0.484 nan 4.420 nan 0.000 0.277 449 P C -0.476 176.857 177.300 0.055 0.000 1.271 449 P CA -0.368 62.718 63.100 -0.024 0.000 0.795 449 P CB 0.794 32.500 31.700 0.010 0.000 1.101 450 I N -1.524 119.097 120.570 0.085 0.000 2.337 450 I HA 0.594 4.764 4.170 -0.000 0.000 0.291 450 I C 0.063 176.272 176.117 0.155 0.000 1.046 450 I CA -1.088 60.283 61.300 0.119 0.000 1.324 450 I CB -0.325 37.737 38.000 0.103 0.000 1.409 450 I HN 0.336 nan 8.210 nan 0.000 0.494 451 A N 6.985 129.938 122.820 0.221 0.000 2.476 451 A HA 0.830 5.150 4.320 -0.000 0.000 0.280 451 A C -2.436 175.337 177.584 0.314 0.000 1.081 451 A CA -0.766 51.409 52.037 0.230 0.000 0.753 451 A CB 1.470 20.642 19.000 0.287 0.000 1.248 451 A HN 0.572 nan 8.150 nan 0.000 0.424 452 P HA 0.205 nan 4.420 nan 0.000 0.282 452 P C -0.708 176.835 177.300 0.404 0.000 1.327 452 P CA 0.340 63.714 63.100 0.457 0.000 0.949 452 P CB 0.250 32.306 31.700 0.592 0.000 1.445 453 Y N 0.918 121.221 120.300 0.004 0.000 2.491 453 Y HA 0.333 4.883 4.550 -0.000 0.000 0.334 453 Y C 1.670 177.539 175.900 -0.051 0.000 0.969 453 Y CA -1.667 56.414 58.100 -0.032 0.000 1.241 453 Y CB 0.440 38.905 38.460 0.008 0.000 1.105 453 Y HN -0.195 nan 8.280 nan 0.000 0.503 454 R N 0.396 120.906 120.500 0.016 0.000 2.196 454 R HA -0.349 3.991 4.340 -0.000 0.000 0.259 454 R C 1.712 178.019 176.300 0.012 0.000 1.154 454 R CA 2.124 58.212 56.100 -0.020 0.000 0.976 454 R CB -0.154 30.109 30.300 -0.061 0.000 0.888 454 R HN 0.481 nan 8.270 nan 0.000 0.453 455 Q N 0.482 120.310 119.800 0.046 0.000 2.020 455 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 455 Q C 2.023 178.039 176.000 0.026 0.000 0.982 455 Q CA 2.285 58.107 55.803 0.032 0.000 0.838 455 Q CB -0.471 28.296 28.738 0.049 0.000 0.899 455 Q HN 0.284 nan 8.270 nan 0.000 0.423 456 T N 0.461 115.057 114.554 0.070 0.000 2.788 456 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 456 T C 1.636 176.326 174.700 -0.016 0.000 1.044 456 T CA 1.307 63.427 62.100 0.034 0.000 1.139 456 T CB -0.107 68.784 68.868 0.039 0.000 0.867 456 T HN 0.321 nan 8.240 nan 0.000 0.454 457 R N 0.574 121.063 120.500 -0.018 0.000 2.096 457 R HA 0.016 4.356 4.340 -0.000 0.000 0.235 457 R C 2.628 178.806 176.300 -0.205 0.000 1.127 457 R CA 1.106 57.130 56.100 -0.126 0.000 0.968 457 R CB -0.228 30.033 30.300 -0.064 0.000 0.861 457 R HN 0.244 nan 8.270 nan 0.000 0.440 458 R N 0.675 121.097 120.500 -0.130 0.000 2.152 458 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 458 R C 1.260 177.453 176.300 -0.179 0.000 1.117 458 R CA 1.549 57.558 56.100 -0.151 0.000 0.981 458 R CB 0.054 30.304 30.300 -0.083 0.000 0.870 458 R HN 0.265 nan 8.270 nan 0.000 0.451 459 D N -0.615 119.703 120.400 -0.136 0.000 2.120 459 D HA -0.101 4.539 4.640 -0.000 0.000 0.202 459 D C 1.945 178.151 176.300 -0.157 0.000 0.972 459 D CA 0.998 54.931 54.000 -0.111 0.000 0.837 459 D CB -0.137 40.632 40.800 -0.051 0.000 0.989 459 D HN 0.035 nan 8.370 nan 0.000 0.469 460 V N 2.003 121.807 119.914 -0.183 0.000 2.231 460 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 460 V C 2.689 178.504 176.094 -0.465 0.000 1.054 460 V CA 2.074 64.243 62.300 -0.219 0.000 1.015 460 V CB -0.605 31.087 31.823 -0.218 0.000 0.638 460 V HN 0.186 nan 8.190 nan 0.000 0.444 461 R N 0.404 120.393 120.500 -0.852 0.000 2.117 461 R HA -0.210 4.130 4.340 -0.000 0.000 0.243 461 R C 2.177 178.074 176.300 -0.671 0.000 1.143 461 R CA 1.972 57.187 56.100 -1.474 0.000 0.968 461 R CB -0.449 29.024 30.300 -1.379 0.000 0.863 461 R HN 0.490 nan 8.270 nan 0.000 0.444 462 A N 1.105 123.704 122.820 -0.369 0.000 1.897 462 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 462 A C 2.259 179.775 177.584 -0.115 0.000 1.181 462 A CA 1.276 53.202 52.037 -0.185 0.000 0.620 462 A CB -0.515 18.414 19.000 -0.117 0.000 0.821 462 A HN 0.485 nan 8.150 nan 0.000 0.443 463 M N -0.313 119.224 119.600 -0.105 0.000 2.082 463 M HA -0.188 4.292 4.480 -0.000 0.000 0.258 463 M C 2.091 178.390 176.300 -0.003 0.000 1.069 463 M CA 2.465 57.753 55.300 -0.021 0.000 1.102 463 M CB -0.272 32.341 32.600 0.022 0.000 1.336 463 M HN 0.586 nan 8.290 nan 0.000 0.404 464 I N -1.471 119.082 120.570 -0.029 0.000 3.030 464 I HA -0.051 4.119 4.170 -0.000 0.000 0.270 464 I C 1.754 177.917 176.117 0.076 0.000 1.211 464 I CA 1.390 62.728 61.300 0.063 0.000 1.479 464 I CB -0.430 37.682 38.000 0.186 0.000 1.105 464 I HN 0.264 nan 8.210 nan 0.000 0.447 465 E N 0.925 121.132 120.200 0.011 0.000 2.274 465 E HA -0.056 4.294 4.350 -0.000 0.000 0.194 465 E C 2.221 178.855 176.600 0.057 0.000 0.996 465 E CA 0.838 57.270 56.400 0.053 0.000 0.840 465 E CB -0.061 29.632 29.700 -0.012 0.000 0.772 465 E HN 0.703 nan 8.360 nan 0.000 0.491 466 A N -0.003 122.839 122.820 0.037 0.000 2.014 466 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 466 A C 2.047 179.666 177.584 0.059 0.000 1.163 466 A CA 0.891 52.956 52.037 0.046 0.000 0.652 466 A CB 0.236 19.259 19.000 0.038 0.000 0.808 466 A HN 0.237 nan 8.150 nan 0.000 0.449 467 V N -2.328 117.624 119.914 0.064 0.000 3.477 467 V HA 0.513 4.633 4.120 -0.000 0.000 0.297 467 V C 0.774 176.915 176.094 0.079 0.000 1.433 467 V CA 1.033 63.369 62.300 0.060 0.000 1.052 467 V CB 0.367 32.215 31.823 0.042 0.000 0.895 467 V HN 0.851 nan 8.190 nan 0.000 0.438 468 G N -0.873 107.991 108.800 0.107 0.000 2.356 468 G HA2 0.415 4.375 3.960 -0.000 0.000 0.281 468 G HA3 0.415 4.375 3.960 -0.000 0.000 0.281 468 G C -0.259 174.754 174.900 0.189 0.000 1.246 468 G CA -0.028 45.160 45.100 0.146 0.000 0.889 468 G HN 0.507 nan 8.290 nan 0.000 0.486 469 G N -0.793 108.140 108.800 0.222 0.000 2.372 469 G HA2 0.578 4.538 3.960 -0.000 0.000 0.283 469 G HA3 0.578 4.538 3.960 -0.000 0.000 0.283 469 G C -1.430 173.589 174.900 0.198 0.000 1.177 469 G CA -0.290 44.929 45.100 0.198 0.000 0.842 469 G HN 0.788 nan 8.290 nan 0.000 0.503 470 F N 3.009 122.987 119.950 0.046 0.000 2.493 470 F HA 0.577 5.104 4.527 0.000 0.000 0.329 470 F C -0.684 175.133 175.800 0.030 0.000 1.126 470 F CA -0.833 57.193 58.000 0.042 0.000 0.937 470 F CB 2.263 41.279 39.000 0.026 0.000 1.146 470 F HN 0.299 nan 8.300 nan 0.000 0.442 471 V N 5.922 125.590 119.914 -0.410 0.000 2.409 471 V HA 0.251 4.371 4.120 -0.000 0.000 0.290 471 V C -0.359 175.475 176.094 -0.434 0.000 1.017 471 V CA -0.817 61.313 62.300 -0.282 0.000 0.841 471 V CB 1.392 33.100 31.823 -0.191 0.000 1.003 471 V HN 0.749 nan 8.190 nan 0.000 0.426 472 E N 4.863 124.912 120.200 -0.252 0.000 2.289 472 E HA 0.505 4.855 4.350 -0.000 0.000 0.278 472 E C -0.626 175.920 176.600 -0.091 0.000 1.032 472 E CA -0.480 55.848 56.400 -0.120 0.000 0.854 472 E CB 1.284 31.051 29.700 0.111 0.000 1.046 472 E HN 0.777 nan 8.360 nan 0.000 0.409 473 I N 3.255 123.740 120.570 -0.142 0.000 2.418 473 I HA 0.311 4.481 4.170 -0.000 0.000 0.287 473 I C -0.969 175.190 176.117 0.070 0.000 1.008 473 I CA -0.832 60.393 61.300 -0.126 0.000 1.104 473 I CB 1.437 39.214 38.000 -0.373 0.000 1.264 473 I HN 0.590 nan 8.210 nan 0.000 0.438 474 H N 7.054 126.143 119.070 0.032 0.000 2.705 474 H HA 0.418 4.974 4.556 0.000 0.000 0.291 474 H C -1.240 174.147 175.328 0.100 0.000 1.085 474 H CA -0.741 55.367 56.048 0.100 0.000 1.357 474 H CB 1.411 31.236 29.762 0.106 0.000 1.419 474 H HN 0.583 nan 8.280 nan 0.000 0.462 475 V N 6.390 126.385 119.914 0.135 0.000 2.368 475 V HA 0.200 4.320 4.120 -0.000 0.000 0.266 475 V C 0.624 176.620 176.094 -0.164 0.000 1.045 475 V CA 0.531 62.828 62.300 -0.006 0.000 0.899 475 V CB 0.269 32.168 31.823 0.126 0.000 1.006 475 V HN 0.959 nan 8.190 nan 0.000 0.470 476 A N 4.237 126.874 122.820 -0.305 0.000 2.121 476 A HA 0.553 4.873 4.320 -0.000 0.000 0.215 476 A C 1.494 179.023 177.584 -0.092 0.000 1.861 476 A CA 0.796 52.688 52.037 -0.242 0.000 0.850 476 A CB -0.921 17.876 19.000 -0.338 0.000 1.346 476 A HN 0.816 nan 8.150 nan 0.000 0.597 477 T N 1.677 116.182 114.554 -0.080 0.000 2.934 477 T HA 0.401 4.751 4.350 -0.000 0.000 0.321 477 T C -2.520 172.162 174.700 -0.031 0.000 1.080 477 T CA -0.284 61.793 62.100 -0.039 0.000 1.132 477 T CB -0.699 68.151 68.868 -0.031 0.000 1.039 477 T HN 0.084 nan 8.240 nan 0.000 0.543 478 P HA 0.431 nan 4.420 nan 0.000 0.274 478 P C 0.415 177.710 177.300 -0.010 0.000 1.504 478 P CA -0.345 62.746 63.100 -0.014 0.000 1.011 478 P CB 0.003 31.695 31.700 -0.014 0.000 1.366 479 I N 1.098 121.665 120.570 -0.004 0.000 2.845 479 I HA 0.279 4.449 4.170 -0.000 0.000 0.290 479 I C 0.987 177.102 176.117 -0.004 0.000 1.202 479 I CA 0.034 61.335 61.300 0.002 0.000 1.406 479 I CB -1.519 36.491 38.000 0.017 0.000 1.383 479 I HN 0.425 nan 8.210 nan 0.000 0.549 510 E N 3.352 122.860 120.200 -1.152 0.000 2.265 510 E HA 0.491 4.841 4.350 -0.000 0.000 0.262 510 E C -1.118 175.009 176.600 -0.789 0.000 0.889 510 E CA -1.242 54.743 56.400 -0.691 0.000 0.789 510 E CB 2.579 32.048 29.700 -0.385 0.000 1.221 510 E HN 0.654 nan 8.360 nan 0.000 0.414 511 V N 0.854 120.546 119.914 -0.371 0.000 2.599 511 V HA 0.158 4.278 4.120 -0.000 0.000 0.300 511 V C -2.313 173.637 176.094 -0.240 0.000 1.034 511 V CA -1.556 60.611 62.300 -0.222 0.000 1.115 511 V CB -0.500 31.312 31.823 -0.019 0.000 0.934 511 V HN 0.475 nan 8.190 nan 0.000 0.485 512 P HA 0.118 nan 4.420 nan 0.000 0.262 512 P C 0.461 177.700 177.300 -0.102 0.000 1.199 512 P CA 0.230 63.218 63.100 -0.186 0.000 0.763 512 P CB 0.263 31.826 31.700 -0.228 0.000 0.790 513 E N 1.057 121.227 120.200 -0.050 0.000 2.474 513 E HA 0.042 4.392 4.350 -0.000 0.000 0.195 513 E C 0.319 176.928 176.600 0.015 0.000 1.039 513 E CA 0.040 56.432 56.400 -0.013 0.000 0.881 513 E CB 0.169 29.858 29.700 -0.019 0.000 0.970 513 E HN 0.263 nan 8.360 nan 0.000 0.486 514 T N 1.709 116.276 114.554 0.023 0.000 4.143 514 T HA 0.193 4.543 4.350 -0.000 0.000 0.306 514 T C -2.643 172.095 174.700 0.064 0.000 0.925 514 T CA -0.979 61.145 62.100 0.041 0.000 1.014 514 T CB 0.273 69.159 68.868 0.030 0.000 1.115 514 T HN 0.022 nan 8.240 nan 0.000 0.464 515 P HA 0.280 nan 4.420 nan 0.000 0.271 515 P C 0.761 178.108 177.300 0.079 0.000 1.238 515 P CA -0.004 63.154 63.100 0.097 0.000 0.794 515 P CB 0.810 32.592 31.700 0.137 0.000 0.959 516 E N -0.647 119.591 120.200 0.063 0.000 2.076 516 E HA 0.132 4.482 4.350 -0.000 0.000 0.190 516 E C 0.316 176.936 176.600 0.034 0.000 0.979 516 E CA 0.818 57.245 56.400 0.046 0.000 0.807 516 E CB -0.009 29.707 29.700 0.027 0.000 0.761 516 E HN 0.238 nan 8.360 nan 0.000 0.454 517 L N -0.244 120.992 121.223 0.022 0.000 2.401 517 L HA 0.671 5.011 4.340 -0.000 0.000 0.266 517 L C -1.590 175.306 176.870 0.044 0.000 0.991 517 L CA -0.980 53.870 54.840 0.016 0.000 0.818 517 L CB 1.916 43.958 42.059 -0.027 0.000 1.321 517 L HN -0.062 nan 8.230 nan 0.000 0.413 518 A N 5.861 128.706 122.820 0.042 0.000 2.409 518 A HA 0.424 4.744 4.320 -0.000 0.000 0.300 518 A C -0.309 177.259 177.584 -0.027 0.000 1.273 518 A CA -0.578 51.476 52.037 0.028 0.000 0.774 518 A CB 0.354 19.399 19.000 0.074 0.000 1.144 518 A HN 0.702 nan 8.150 nan 0.000 0.472 519 I N 0.302 120.844 120.570 -0.046 0.000 2.574 519 I HA 0.171 4.341 4.170 -0.000 0.000 0.291 519 I C -0.299 175.777 176.117 -0.068 0.000 1.131 519 I CA 0.065 61.343 61.300 -0.037 0.000 1.352 519 I CB 0.366 38.361 38.000 -0.008 0.000 1.431 519 I HN 0.440 nan 8.210 nan 0.000 0.543 520 D N 4.189 124.564 120.400 -0.042 0.000 2.290 520 D HA -0.038 4.602 4.640 -0.000 0.000 0.224 520 D C 1.271 177.556 176.300 -0.024 0.000 0.967 520 D CA 1.281 55.259 54.000 -0.037 0.000 0.893 520 D CB 0.390 41.183 40.800 -0.011 0.000 1.037 520 D HN 0.760 nan 8.370 nan 0.000 0.477 521 T N -1.087 113.459 114.554 -0.014 0.000 2.882 521 T HA 0.201 4.551 4.350 -0.000 0.000 0.287 521 T C 1.538 176.233 174.700 -0.008 0.000 1.014 521 T CA 0.161 62.257 62.100 -0.007 0.000 1.049 521 T CB 1.679 70.545 68.868 -0.003 0.000 1.001 521 T HN 0.058 nan 8.240 nan 0.000 0.525 522 T N -0.413 114.138 114.554 -0.005 0.000 2.896 522 T HA 0.232 4.582 4.350 -0.000 0.000 0.263 522 T C 1.133 175.830 174.700 -0.004 0.000 1.050 522 T CA 0.415 62.512 62.100 -0.005 0.000 1.140 522 T CB -0.541 68.326 68.868 -0.002 0.000 0.877 522 T HN 0.966 nan 8.240 nan 0.000 0.457 523 G N 1.312 110.111 108.800 -0.002 0.000 2.437 523 G HA2 0.634 4.594 3.960 -0.000 0.000 0.315 523 G HA3 0.634 4.594 3.960 -0.000 0.000 0.315 523 G C -1.239 173.661 174.900 -0.001 0.000 1.210 523 G CA -0.633 44.466 45.100 -0.002 0.000 0.943 523 G HN 0.445 nan 8.290 nan 0.000 0.471 524 L N 2.386 123.609 121.223 -0.001 0.000 2.611 524 L HA 0.415 4.755 4.340 -0.000 0.000 0.263 524 L C 0.503 177.374 176.870 0.002 0.000 0.969 524 L CA -0.812 54.029 54.840 0.002 0.000 0.894 524 L CB 1.649 43.710 42.059 0.003 0.000 1.229 524 L HN 0.696 nan 8.230 nan 0.000 0.416 525 A N 2.946 125.767 122.820 0.002 0.000 2.466 525 A HA 0.259 4.579 4.320 -0.000 0.000 0.238 525 A C 1.452 179.038 177.584 0.003 0.000 1.074 525 A CA -0.247 51.790 52.037 0.000 0.000 0.774 525 A CB 0.425 19.425 19.000 -0.000 0.000 1.015 525 A HN 0.655 nan 8.150 nan 0.000 0.498 526 I N 0.767 121.337 120.570 0.001 0.000 2.113 526 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 526 I C 1.839 177.962 176.117 0.010 0.000 1.064 526 I CA 2.075 63.378 61.300 0.004 0.000 1.320 526 I CB -1.327 36.670 38.000 -0.005 0.000 1.028 526 I HN 0.693 nan 8.210 nan 0.000 0.406 527 D N 0.691 121.094 120.400 0.005 0.000 2.126 527 D HA -0.220 4.420 4.640 -0.000 0.000 0.190 527 D C 2.148 178.453 176.300 0.009 0.000 1.001 527 D CA 1.437 55.441 54.000 0.006 0.000 0.841 527 D CB -0.271 40.531 40.800 0.003 0.000 0.949 527 D HN 0.480 nan 8.370 nan 0.000 0.446 528 E N 0.308 120.513 120.200 0.007 0.000 2.077 528 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 528 E C 2.102 178.709 176.600 0.011 0.000 0.989 528 E CA 0.993 57.397 56.400 0.007 0.000 0.800 528 E CB -0.064 29.639 29.700 0.005 0.000 0.746 528 E HN 0.230 nan 8.360 nan 0.000 0.452 529 A N 0.949 123.780 122.820 0.018 0.000 1.873 529 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 529 A C 2.519 180.126 177.584 0.039 0.000 1.186 529 A CA 1.090 53.145 52.037 0.029 0.000 0.616 529 A CB -0.751 18.274 19.000 0.042 0.000 0.823 529 A HN 0.112 nan 8.150 nan 0.000 0.442 530 V N 0.023 119.962 119.914 0.042 0.000 2.252 530 V HA -0.331 3.789 4.120 -0.000 0.000 0.249 530 V C 2.806 178.915 176.094 0.025 0.000 1.056 530 V CA 2.559 64.888 62.300 0.049 0.000 1.022 530 V CB -0.772 31.074 31.823 0.040 0.000 0.641 530 V HN 0.710 nan 8.190 nan 0.000 0.445 531 Q N 0.086 119.893 119.800 0.010 0.000 2.077 531 Q HA -0.283 4.057 4.340 -0.000 0.000 0.206 531 Q C 2.169 178.156 176.000 -0.023 0.000 0.989 531 Q CA 2.363 58.162 55.803 -0.007 0.000 0.853 531 Q CB -0.617 28.118 28.738 -0.006 0.000 0.907 531 Q HN 0.651 nan 8.270 nan 0.000 0.418 532 Q N 0.088 119.880 119.800 -0.013 0.000 2.181 532 Q HA -0.125 4.215 4.340 -0.000 0.000 0.205 532 Q C 1.887 177.862 176.000 -0.041 0.000 0.980 532 Q CA 2.006 57.795 55.803 -0.023 0.000 0.862 532 Q CB -0.409 28.325 28.738 -0.006 0.000 0.905 532 Q HN 0.750 nan 8.270 nan 0.000 0.429 533 I N -3.772 116.781 120.570 -0.027 0.000 2.852 533 I HA -0.033 4.137 4.170 -0.000 0.000 0.264 533 I C 1.617 177.702 176.117 -0.053 0.000 1.179 533 I CA 0.594 61.867 61.300 -0.045 0.000 1.480 533 I CB -0.358 37.616 38.000 -0.044 0.000 1.111 533 I HN 0.085 nan 8.210 nan 0.000 0.441 534 L N 0.967 122.165 121.223 -0.041 0.000 2.141 534 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 534 L C 2.700 179.493 176.870 -0.128 0.000 1.094 534 L CA 1.158 55.968 54.840 -0.050 0.000 0.763 534 L CB -0.463 41.581 42.059 -0.026 0.000 0.908 534 L HN 0.294 nan 8.230 nan 0.000 0.437 535 L N 0.301 121.417 121.223 -0.178 0.000 2.012 535 L HA -0.295 4.045 4.340 -0.000 0.000 0.210 535 L C 3.244 179.855 176.870 -0.431 0.000 1.073 535 L CA 2.036 56.645 54.840 -0.384 0.000 0.748 535 L CB -0.749 41.139 42.059 -0.284 0.000 0.891 535 L HN 0.270 nan 8.230 nan 0.000 0.431 536 K N 0.371 120.654 120.400 -0.195 0.000 1.991 536 K HA -0.176 4.144 4.320 -0.000 0.000 0.212 536 K C 1.847 178.398 176.600 -0.082 0.000 1.049 536 K CA 1.933 58.158 56.287 -0.103 0.000 0.932 536 K CB -1.456 31.014 32.500 -0.050 0.000 0.717 536 K HN 0.313 nan 8.250 nan 0.000 0.441 537 L N 0.425 121.604 121.223 -0.073 0.000 2.043 537 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 537 L C 2.940 179.782 176.870 -0.045 0.000 1.075 537 L CA 1.848 56.666 54.840 -0.038 0.000 0.752 537 L CB -0.453 41.574 42.059 -0.054 0.000 0.891 537 L HN 0.529 nan 8.230 nan 0.000 0.432 538 E N 0.085 120.228 120.200 -0.096 0.000 2.118 538 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 538 E C 1.976 178.601 176.600 0.040 0.000 0.992 538 E CA 1.734 58.094 56.400 -0.067 0.000 0.804 538 E CB -0.169 29.457 29.700 -0.122 0.000 0.741 538 E HN 0.596 nan 8.360 nan 0.000 0.458 539 H N -1.745 117.297 119.070 -0.046 0.000 2.512 539 H HA 0.089 4.645 4.556 -0.000 0.000 0.279 539 H C 1.315 176.592 175.328 -0.084 0.000 0.999 539 H CA 0.736 56.751 56.048 -0.054 0.000 1.283 539 H CB 0.378 30.119 29.762 -0.034 0.000 1.421 539 H HN 0.089 nan 8.280 nan 0.000 0.554 540 E N 0.015 120.224 120.200 0.014 0.000 2.435 540 E HA 0.031 4.381 4.350 -0.000 0.000 0.195 540 E C 1.453 177.854 176.600 -0.333 0.000 1.029 540 E CA 0.591 56.937 56.400 -0.090 0.000 0.865 540 E CB 0.248 29.964 29.700 0.026 0.000 0.833 540 E HN 0.541 nan 8.360 nan 0.000 0.510 541 G N -0.675 107.962 108.800 -0.272 0.000 2.176 541 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.232 541 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.232 541 G C 0.594 175.251 174.900 -0.406 0.000 0.986 541 G CA 0.339 45.236 45.100 -0.338 0.000 0.643 541 G HN 0.305 nan 8.290 nan 0.000 0.522 542 Y N 0.519 120.683 120.300 -0.227 0.000 2.475 542 Y HA 0.416 4.966 4.550 -0.000 0.000 0.289 542 Y C 2.282 178.074 175.900 -0.181 0.000 1.121 542 Y CA 0.400 58.303 58.100 -0.328 0.000 1.257 542 Y CB -0.024 37.929 38.460 -0.846 0.000 1.026 542 Y HN 0.288 nan 8.280 nan 0.000 0.555 543 L N 0.342 121.569 121.223 0.006 0.000 2.464 543 L HA 0.253 4.593 4.340 -0.000 0.000 0.224 543 L C 0.512 177.399 176.870 0.028 0.000 1.219 543 L CA -0.247 54.617 54.840 0.041 0.000 0.831 543 L CB 0.517 42.588 42.059 0.020 0.000 1.284 543 L HN 0.074 nan 8.230 nan 0.000 0.522 544 R N -0.103 120.416 120.500 0.031 0.000 2.716 544 R HA 0.341 4.681 4.340 -0.000 0.000 0.271 544 R C -1.267 175.039 176.300 0.011 0.000 1.028 544 R CA -0.853 55.256 56.100 0.015 0.000 0.883 544 R CB 1.183 31.496 30.300 0.021 0.000 1.250 544 R HN 0.225 nan 8.270 nan 0.000 0.465 545 L N 0.000 121.223 121.223 0.001 0.000 2.949 545 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 545 L CA 0.000 54.840 54.840 -0.001 0.000 0.813 545 L CB 0.000 42.055 42.059 -0.007 0.000 0.961 545 L HN 0.000 nan 8.230 nan 0.000 0.502