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 1st4_1_B DATA FIRST_RESID 40 DATA SEQUENCE VRLPFSGFRL QKVLRESARD KIIFLHGKVN EASGDGDGED AVVILEKTPF DATA SEQUENCE QVEQVAQLLT GSPELQLQFS NDIYSTYHLF PPRQLNDVKT TVVYPATEKH DATA SEQUENCE LQKYLRQDLR LIRETGDDYR NITLPHLESQ SLSIQWVYNI LDKKAEADRI DATA SEQUENCE VFENPDPSDG FVLIPDLKWN QQQLDDLYLI AICHRRGIRS LRDLTPEHLP DATA SEQUENCE LLRNILHQGQ EAILQRYRMK GDHLRVYLHY LPSYYHLNVH FTALGFEAPG DATA SEQUENCE SGVERAHLLA EVIENLECDP RHYQQRTLTF ALRADDPLLK LLQEAQQ 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 40 V HA 0.000 nan 4.120 nan 0.000 0.244 40 V C 0.000 176.050 176.094 -0.073 0.000 1.182 40 V CA 0.000 62.268 62.300 -0.053 0.000 1.235 40 V CB 0.000 31.798 31.823 -0.042 0.000 1.184 41 R N 0.049 120.496 120.500 -0.089 0.000 2.892 41 R HA 0.725 5.065 4.340 -0.000 0.000 0.265 41 R C -1.385 174.799 176.300 -0.193 0.000 1.025 41 R CA -1.055 54.968 56.100 -0.128 0.000 0.982 41 R CB 1.753 31.984 30.300 -0.115 0.000 1.185 41 R HN 0.381 nan 8.270 nan 0.000 0.484 42 L N 3.200 124.250 121.223 -0.288 0.000 2.506 42 L HA 0.062 4.402 4.340 -0.000 0.000 0.281 42 L C -1.199 175.359 176.870 -0.521 0.000 1.228 42 L CA -1.110 53.424 54.840 -0.509 0.000 0.850 42 L CB 0.175 41.749 42.059 -0.808 0.000 1.110 42 L HN 0.567 nan 8.230 nan 0.000 0.496 43 P HA -0.066 nan 4.420 nan 0.000 0.236 43 P C -0.652 176.374 177.300 -0.456 0.000 1.172 43 P CA 0.818 63.715 63.100 -0.338 0.000 0.759 43 P CB -0.203 31.440 31.700 -0.094 0.000 0.843 44 F N -3.424 116.305 119.950 -0.368 0.000 2.754 44 F HA 0.727 5.254 4.527 -0.000 0.000 0.320 44 F C -0.646 175.060 175.800 -0.156 0.000 1.156 44 F CA -1.773 56.010 58.000 -0.362 0.000 0.950 44 F CB 0.326 38.987 39.000 -0.564 0.000 1.388 44 F HN -0.489 nan 8.300 nan 0.000 0.485 45 S N 0.087 115.941 115.700 0.257 0.000 2.502 45 S HA 0.763 5.233 4.470 -0.000 0.000 0.304 45 S C -0.214 174.519 174.600 0.222 0.000 1.097 45 S CA -0.238 58.085 58.200 0.204 0.000 1.045 45 S CB 1.016 64.271 63.200 0.092 0.000 1.019 45 S HN 1.687 nan 8.310 nan 0.000 0.481 46 G N 1.498 110.435 108.800 0.228 0.000 2.722 46 G HA2 0.013 3.973 3.960 -0.000 0.000 0.686 46 G HA3 0.013 3.973 3.960 -0.000 0.000 0.686 46 G C -1.229 173.799 174.900 0.214 0.000 1.282 46 G CA -0.793 44.408 45.100 0.167 0.000 0.817 46 G HN 0.782 nan 8.290 nan 0.000 0.605 47 F N 2.126 122.085 119.950 0.014 0.000 2.607 47 F HA 0.728 5.255 4.527 -0.000 0.000 0.322 47 F C -0.125 175.652 175.800 -0.038 0.000 1.176 47 F CA -0.963 57.013 58.000 -0.040 0.000 0.977 47 F CB 1.706 40.733 39.000 0.045 0.000 1.242 47 F HN 0.672 nan 8.300 nan 0.000 0.465 48 R N 6.687 126.899 120.500 -0.479 0.000 2.360 48 R HA 0.531 4.871 4.340 -0.000 0.000 0.318 48 R C -1.535 174.495 176.300 -0.450 0.000 0.950 48 R CA -0.987 54.938 56.100 -0.292 0.000 0.837 48 R CB 1.313 31.488 30.300 -0.210 0.000 1.165 48 R HN 0.779 nan 8.270 nan 0.000 0.458 49 L N 3.764 124.872 121.223 -0.192 0.000 2.455 49 L HA 0.066 4.406 4.340 -0.000 0.000 0.272 49 L C 0.585 177.340 176.870 -0.192 0.000 1.174 49 L CA 0.871 55.629 54.840 -0.137 0.000 0.869 49 L CB 1.288 43.410 42.059 0.105 0.000 1.130 49 L HN 0.789 nan 8.230 nan 0.000 0.474 50 Q N 3.286 122.923 119.800 -0.271 0.000 2.511 50 Q HA 0.293 4.633 4.340 -0.000 0.000 0.236 50 Q C -0.458 175.437 176.000 -0.175 0.000 0.893 50 Q CA 0.603 56.211 55.803 -0.325 0.000 0.947 50 Q CB 0.454 28.747 28.738 -0.742 0.000 1.110 50 Q HN 0.687 nan 8.270 nan 0.000 0.591 51 K N -0.842 119.512 120.400 -0.077 0.000 2.589 51 K HA 0.318 4.637 4.320 -0.000 0.000 0.265 51 K C -1.762 174.911 176.600 0.121 0.000 0.935 51 K CA -0.511 55.799 56.287 0.038 0.000 0.850 51 K CB 1.648 34.191 32.500 0.070 0.000 1.372 51 K HN -0.095 nan 8.250 nan 0.000 0.420 52 V N 6.617 126.597 119.914 0.110 0.000 2.372 52 V HA 0.116 4.236 4.120 -0.000 0.000 0.261 52 V C 1.295 177.470 176.094 0.135 0.000 1.055 52 V CA -0.151 62.229 62.300 0.134 0.000 0.930 52 V CB 0.549 32.436 31.823 0.106 0.000 1.031 52 V HN 0.765 nan 8.190 nan 0.000 0.479 53 L N 3.833 125.163 121.223 0.178 0.000 2.109 53 L HA 0.137 4.477 4.340 -0.000 0.000 0.207 53 L C 1.295 178.206 176.870 0.068 0.000 1.086 53 L CA 1.263 56.191 54.840 0.146 0.000 0.760 53 L CB -0.088 42.098 42.059 0.211 0.000 0.910 53 L HN 0.606 nan 8.230 nan 0.000 0.437 54 R N 0.103 120.652 120.500 0.081 0.000 2.634 54 R HA 0.296 4.635 4.340 -0.000 0.000 0.263 54 R C -1.841 174.552 176.300 0.155 0.000 1.060 54 R CA -0.476 55.620 56.100 -0.006 0.000 0.898 54 R CB 1.928 32.032 30.300 -0.327 0.000 1.253 54 R HN 0.176 nan 8.270 nan 0.000 0.461 55 E N 0.771 121.041 120.200 0.117 0.000 2.413 55 E HA 0.439 4.789 4.350 -0.000 0.000 0.277 55 E C -1.698 174.972 176.600 0.117 0.000 0.958 55 E CA -0.953 55.545 56.400 0.163 0.000 0.779 55 E CB 2.337 32.111 29.700 0.124 0.000 1.278 55 E HN 0.303 nan 8.360 nan 0.000 0.456 56 S N 0.395 116.172 115.700 0.128 0.000 2.789 56 S HA 0.522 4.992 4.470 -0.000 0.000 0.286 56 S C 0.174 174.816 174.600 0.070 0.000 1.153 56 S CA 0.065 58.319 58.200 0.090 0.000 1.084 56 S CB 0.986 64.249 63.200 0.104 0.000 1.036 56 S HN 0.731 nan 8.310 nan 0.000 0.484 57 A N 4.557 127.408 122.820 0.051 0.000 1.969 57 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 57 A C 2.068 179.674 177.584 0.036 0.000 1.169 57 A CA 1.389 53.450 52.037 0.040 0.000 0.635 57 A CB -0.433 18.586 19.000 0.033 0.000 0.810 57 A HN 0.706 nan 8.150 nan 0.000 0.445 58 R N 0.881 121.402 120.500 0.034 0.000 2.073 58 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 58 R C 0.546 176.869 176.300 0.039 0.000 1.134 58 R CA 2.102 58.221 56.100 0.030 0.000 0.952 58 R CB -0.611 29.703 30.300 0.024 0.000 0.850 58 R HN 0.443 nan 8.270 nan 0.000 0.433 59 D N 1.314 121.744 120.400 0.050 0.000 2.339 59 D HA 0.000 4.640 4.640 -0.000 0.000 0.217 59 D C -0.255 176.069 176.300 0.040 0.000 1.050 59 D CA 0.257 54.290 54.000 0.054 0.000 0.856 59 D CB 0.226 41.074 40.800 0.079 0.000 0.922 59 D HN 0.125 nan 8.370 nan 0.000 0.518 60 K N 0.389 120.810 120.400 0.035 0.000 3.257 60 K HA -0.224 4.095 4.320 -0.000 0.000 0.270 60 K C -0.057 176.545 176.600 0.003 0.000 0.984 60 K CA 0.336 56.632 56.287 0.016 0.000 0.739 60 K CB -2.388 30.110 32.500 -0.003 0.000 1.351 60 K HN 0.401 nan 8.250 nan 0.000 0.463 61 I N 0.201 120.790 120.570 0.033 0.000 2.686 61 I HA 0.593 4.763 4.170 -0.000 0.000 0.295 61 I C -0.738 175.416 176.117 0.062 0.000 1.114 61 I CA -1.619 59.684 61.300 0.006 0.000 1.038 61 I CB 1.482 39.500 38.000 0.029 0.000 1.238 61 I HN 0.267 nan 8.210 nan 0.000 0.420 62 I N 3.255 123.812 120.570 -0.021 0.000 2.686 62 I HA 0.483 4.653 4.170 -0.000 0.000 0.295 62 I C -1.572 174.521 176.117 -0.041 0.000 1.114 62 I CA -0.551 60.805 61.300 0.093 0.000 1.038 62 I CB 1.964 39.995 38.000 0.051 0.000 1.238 62 I HN 0.248 nan 8.210 nan 0.000 0.420 63 F N 5.348 125.287 119.950 -0.018 0.000 2.347 63 F HA 0.606 5.133 4.527 -0.000 0.000 0.366 63 F C -0.281 175.544 175.800 0.042 0.000 1.107 63 F CA -0.623 57.351 58.000 -0.044 0.000 1.058 63 F CB 1.141 40.097 39.000 -0.073 0.000 1.236 63 F HN 0.187 nan 8.300 nan 0.000 0.456 64 L N 3.260 124.609 121.223 0.210 0.000 2.325 64 L HA 0.464 4.804 4.340 -0.000 0.000 0.278 64 L C -0.198 176.894 176.870 0.371 0.000 1.023 64 L CA -0.804 54.207 54.840 0.285 0.000 0.811 64 L CB 1.847 44.098 42.059 0.320 0.000 1.249 64 L HN 0.628 nan 8.230 nan 0.000 0.431 65 H N 1.593 120.784 119.070 0.202 0.000 2.504 65 H HA 0.585 5.141 4.556 -0.000 0.000 0.322 65 H C -0.571 174.749 175.328 -0.013 0.000 1.055 65 H CA -0.624 55.496 56.048 0.119 0.000 1.231 65 H CB 1.555 31.368 29.762 0.084 0.000 1.417 65 H HN 0.751 nan 8.280 nan 0.000 0.472 66 G N 3.906 112.694 108.800 -0.020 0.000 2.600 66 G HA2 0.260 4.220 3.960 -0.000 0.000 0.303 66 G HA3 0.260 4.220 3.960 -0.000 0.000 0.303 66 G C -1.207 173.370 174.900 -0.539 0.000 1.253 66 G CA -0.857 43.733 45.100 -0.851 0.000 0.974 66 G HN 0.536 nan 8.290 nan 0.000 0.483 67 K N 0.536 120.583 120.400 -0.589 0.000 2.234 67 K HA 0.463 4.783 4.320 -0.000 0.000 0.277 67 K C 0.013 176.377 176.600 -0.394 0.000 1.038 67 K CA -0.357 55.719 56.287 -0.351 0.000 0.888 67 K CB 1.618 33.982 32.500 -0.227 0.000 1.091 67 K HN 0.437 nan 8.250 nan 0.000 0.467 68 V N 0.103 119.821 119.914 -0.327 0.000 2.975 68 V HA 0.419 4.539 4.120 -0.000 0.000 0.318 68 V C 0.429 176.457 176.094 -0.109 0.000 1.077 68 V CA -0.781 61.320 62.300 -0.331 0.000 1.000 68 V CB 1.488 32.837 31.823 -0.790 0.000 1.066 68 V HN 0.894 nan 8.190 nan 0.000 0.452 69 N N -0.068 118.618 118.700 -0.024 0.000 2.863 69 N HA -0.216 4.524 4.740 -0.000 0.000 0.245 69 N C 0.956 176.478 175.510 0.020 0.000 1.001 69 N CA 1.576 54.647 53.050 0.035 0.000 0.901 69 N CB -1.146 37.387 38.487 0.076 0.000 1.124 69 N HN 0.982 nan 8.380 nan 0.000 0.582 70 E N -0.052 120.143 120.200 -0.007 0.000 2.333 70 E HA -0.004 4.345 4.350 -0.000 0.000 0.198 70 E C 1.123 177.724 176.600 0.002 0.000 1.007 70 E CA 1.238 57.632 56.400 -0.010 0.000 0.845 70 E CB 0.026 29.706 29.700 -0.034 0.000 0.766 70 E HN 0.524 nan 8.360 nan 0.000 0.507 71 A N 0.988 123.815 122.820 0.012 0.000 2.701 71 A HA 0.266 4.586 4.320 -0.000 0.000 0.297 71 A C 0.032 177.629 177.584 0.023 0.000 1.197 71 A CA -0.271 51.776 52.037 0.016 0.000 0.963 71 A CB 0.218 19.228 19.000 0.015 0.000 1.175 71 A HN 0.125 nan 8.150 nan 0.000 0.531 72 S N -2.674 113.043 115.700 0.028 0.000 2.688 72 S HA 0.798 5.268 4.470 -0.000 0.000 0.275 72 S C 0.781 175.403 174.600 0.037 0.000 1.175 72 S CA 0.221 58.441 58.200 0.034 0.000 0.818 72 S CB 0.576 63.801 63.200 0.042 0.000 1.157 72 S HN 1.975 nan 8.310 nan 0.000 0.482 73 G N 1.978 110.802 108.800 0.040 0.000 2.661 73 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.327 73 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.327 73 G C 0.422 175.340 174.900 0.031 0.000 1.320 73 G CA 0.974 46.099 45.100 0.040 0.000 0.997 73 G HN 1.214 nan 8.290 nan 0.000 0.543 74 D N 1.626 122.045 120.400 0.031 0.000 2.350 74 D HA 0.178 4.818 4.640 -0.000 0.000 0.216 74 D C 1.875 178.186 176.300 0.019 0.000 0.968 74 D CA 1.713 55.727 54.000 0.024 0.000 0.894 74 D CB -0.401 40.413 40.800 0.023 0.000 0.909 74 D HN 2.139 nan 8.370 nan 0.000 0.520 75 G N 1.075 109.887 108.800 0.020 0.000 2.179 75 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 75 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 75 G C -0.274 174.633 174.900 0.011 0.000 0.990 75 G CA 0.081 45.189 45.100 0.014 0.000 0.646 75 G HN 0.450 nan 8.290 nan 0.000 0.517 76 D N 1.406 121.816 120.400 0.017 0.000 2.443 76 D HA 0.539 5.179 4.640 -0.000 0.000 0.221 76 D C 1.062 177.374 176.300 0.020 0.000 1.097 76 D CA 0.588 54.597 54.000 0.015 0.000 0.865 76 D CB 0.314 41.124 40.800 0.017 0.000 1.034 76 D HN 0.451 nan 8.370 nan 0.000 0.511 77 G N 3.036 111.839 108.800 0.006 0.000 2.594 77 G HA2 0.313 4.272 3.960 -0.000 0.000 0.243 77 G HA3 0.313 4.272 3.960 -0.000 0.000 0.243 77 G C -0.017 174.894 174.900 0.019 0.000 1.229 77 G CA -0.335 44.766 45.100 0.001 0.000 0.843 77 G HN 0.538 nan 8.290 nan 0.000 0.578 78 E N -0.303 119.920 120.200 0.039 0.000 2.316 78 E HA 0.267 4.617 4.350 -0.000 0.000 0.258 78 E C -1.047 175.583 176.600 0.051 0.000 0.952 78 E CA -0.868 55.576 56.400 0.074 0.000 0.818 78 E CB 1.510 31.316 29.700 0.177 0.000 1.260 78 E HN 0.365 nan 8.360 nan 0.000 0.416 79 D N 0.572 121.021 120.400 0.082 0.000 2.225 79 D HA 0.466 5.105 4.640 -0.000 0.000 0.248 79 D C -0.983 175.388 176.300 0.118 0.000 1.096 79 D CA -0.098 53.961 54.000 0.099 0.000 0.863 79 D CB 1.627 42.462 40.800 0.058 0.000 1.156 79 D HN 0.408 nan 8.370 nan 0.000 0.450 80 A N 1.957 124.837 122.820 0.100 0.000 2.414 80 A HA 0.562 4.882 4.320 -0.000 0.000 0.306 80 A C -0.690 177.016 177.584 0.204 0.000 1.054 80 A CA -0.695 51.441 52.037 0.165 0.000 0.724 80 A CB 1.452 20.466 19.000 0.025 0.000 1.267 80 A HN 0.327 nan 8.150 nan 0.000 0.418 81 V N 1.799 121.824 119.914 0.185 0.000 2.481 81 V HA 0.544 4.664 4.120 -0.000 0.000 0.286 81 V C -0.418 175.776 176.094 0.167 0.000 1.042 81 V CA -0.325 62.084 62.300 0.182 0.000 0.928 81 V CB 1.523 33.425 31.823 0.131 0.000 0.986 81 V HN 0.654 nan 8.190 nan 0.000 0.462 82 V N 6.332 126.331 119.914 0.141 0.000 2.482 82 V HA 0.496 4.616 4.120 -0.000 0.000 0.295 82 V C -0.422 175.610 176.094 -0.104 0.000 1.026 82 V CA -0.347 61.971 62.300 0.030 0.000 0.856 82 V CB 1.729 33.551 31.823 -0.002 0.000 1.001 82 V HN 0.674 nan 8.190 nan 0.000 0.424 83 I N 6.079 126.511 120.570 -0.230 0.000 2.354 83 I HA 0.524 4.694 4.170 -0.000 0.000 0.292 83 I C -0.603 175.319 176.117 -0.325 0.000 0.989 83 I CA -0.502 60.537 61.300 -0.435 0.000 1.188 83 I CB 1.397 38.980 38.000 -0.695 0.000 1.342 83 I HN 0.320 nan 8.210 nan 0.000 0.457 84 L N 5.167 126.208 121.223 -0.302 0.000 2.386 84 L HA 0.687 5.027 4.340 -0.000 0.000 0.271 84 L C -0.700 176.054 176.870 -0.193 0.000 0.993 84 L CA -0.572 54.141 54.840 -0.211 0.000 0.819 84 L CB 2.026 43.992 42.059 -0.155 0.000 1.294 84 L HN 0.671 nan 8.230 nan 0.000 0.414 85 E N 2.427 122.534 120.200 -0.154 0.000 2.278 85 E HA 0.302 4.652 4.350 -0.000 0.000 0.272 85 E C -1.076 175.463 176.600 -0.101 0.000 0.890 85 E CA -0.767 55.559 56.400 -0.123 0.000 0.770 85 E CB 2.131 31.755 29.700 -0.128 0.000 1.212 85 E HN 0.441 nan 8.360 nan 0.000 0.415 86 K N 1.739 122.086 120.400 -0.088 0.000 2.380 86 K HA 0.133 4.453 4.320 -0.000 0.000 0.267 86 K C 0.193 176.719 176.600 -0.125 0.000 0.990 86 K CA 0.090 56.312 56.287 -0.109 0.000 0.946 86 K CB 0.684 33.120 32.500 -0.107 0.000 0.937 86 K HN 0.655 nan 8.250 nan 0.000 0.491 87 T N -0.522 113.929 114.554 -0.171 0.000 2.929 87 T HA 0.500 4.849 4.350 -0.000 0.000 0.284 87 T C -2.143 172.403 174.700 -0.256 0.000 1.014 87 T CA -1.785 60.212 62.100 -0.172 0.000 1.051 87 T CB 0.980 69.756 68.868 -0.153 0.000 1.028 87 T HN 0.245 nan 8.240 nan 0.000 0.485 88 P HA 0.344 nan 4.420 nan 0.000 0.271 88 P C -0.799 176.377 177.300 -0.206 0.000 1.244 88 P CA -0.605 62.412 63.100 -0.137 0.000 0.793 88 P CB 0.223 31.915 31.700 -0.014 0.000 0.984 89 F N -0.700 119.247 119.950 -0.005 0.000 2.378 89 F HA 0.314 4.841 4.527 -0.000 0.000 0.325 89 F C 1.129 176.925 175.800 -0.005 0.000 1.097 89 F CA -0.072 57.923 58.000 -0.008 0.000 1.079 89 F CB 0.854 39.847 39.000 -0.011 0.000 1.240 89 F HN 0.161 nan 8.300 nan 0.000 0.519 90 Q N 0.725 120.640 119.800 0.193 0.000 2.307 90 Q HA 0.311 4.651 4.340 -0.000 0.000 0.262 90 Q C 0.683 176.747 176.000 0.106 0.000 0.961 90 Q CA -0.578 55.292 55.803 0.113 0.000 0.882 90 Q CB 2.190 30.967 28.738 0.064 0.000 1.264 90 Q HN 0.550 nan 8.270 nan 0.000 0.446 91 V N 1.764 121.721 119.914 0.071 0.000 2.278 91 V HA -0.312 3.808 4.120 -0.000 0.000 0.251 91 V C 1.759 177.869 176.094 0.027 0.000 1.062 91 V CA 1.802 64.125 62.300 0.038 0.000 1.038 91 V CB -0.339 31.498 31.823 0.022 0.000 0.646 91 V HN 0.769 nan 8.190 nan 0.000 0.447 92 E N -0.053 120.164 120.200 0.028 0.000 2.107 92 E HA -0.166 4.183 4.350 -0.000 0.000 0.191 92 E C 2.383 178.996 176.600 0.021 0.000 0.982 92 E CA 1.083 57.494 56.400 0.018 0.000 0.809 92 E CB -0.240 29.469 29.700 0.016 0.000 0.756 92 E HN 0.734 nan 8.360 nan 0.000 0.459 93 Q N 0.171 119.993 119.800 0.037 0.000 2.124 93 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 93 Q C 2.344 178.370 176.000 0.043 0.000 0.977 93 Q CA 1.230 57.059 55.803 0.043 0.000 0.850 93 Q CB -0.021 28.754 28.738 0.061 0.000 0.901 93 Q HN 0.098 nan 8.270 nan 0.000 0.429 94 V N 1.139 121.081 119.914 0.047 0.000 2.244 94 V HA -0.271 3.849 4.120 -0.000 0.000 0.244 94 V C 2.374 178.452 176.094 -0.026 0.000 1.042 94 V CA 1.745 64.047 62.300 0.003 0.000 1.006 94 V CB -1.153 30.641 31.823 -0.048 0.000 0.641 94 V HN 0.407 nan 8.190 nan 0.000 0.446 95 A N -0.330 122.475 122.820 -0.025 0.000 1.896 95 A HA -0.426 3.894 4.320 -0.000 0.000 0.220 95 A C 2.273 179.844 177.584 -0.022 0.000 1.206 95 A CA 2.952 54.973 52.037 -0.027 0.000 0.647 95 A CB -0.810 18.179 19.000 -0.017 0.000 0.828 95 A HN 0.672 nan 8.150 nan 0.000 0.455 96 Q N -1.080 118.714 119.800 -0.010 0.000 2.020 96 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 96 Q C 2.029 178.024 176.000 -0.009 0.000 0.982 96 Q CA 1.808 57.607 55.803 -0.007 0.000 0.838 96 Q CB -0.340 28.399 28.738 0.002 0.000 0.899 96 Q HN 0.529 nan 8.270 nan 0.000 0.423 97 L N 0.646 121.867 121.223 -0.004 0.000 2.051 97 L HA -0.209 4.131 4.340 -0.000 0.000 0.214 97 L C 2.053 178.907 176.870 -0.027 0.000 1.076 97 L CA 1.765 56.600 54.840 -0.007 0.000 0.758 97 L CB -0.427 41.636 42.059 0.005 0.000 0.890 97 L HN 0.373 nan 8.230 nan 0.000 0.433 98 L N -1.255 119.945 121.223 -0.039 0.000 2.131 98 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 98 L C 2.401 179.241 176.870 -0.050 0.000 1.087 98 L CA 1.389 56.194 54.840 -0.059 0.000 0.767 98 L CB -0.870 41.145 42.059 -0.074 0.000 0.917 98 L HN 0.503 nan 8.230 nan 0.000 0.441 99 T N -3.571 110.961 114.554 -0.037 0.000 3.055 99 T HA -0.036 4.314 4.350 -0.000 0.000 0.265 99 T C 1.655 176.339 174.700 -0.027 0.000 1.111 99 T CA 0.748 62.829 62.100 -0.031 0.000 1.118 99 T CB -0.336 68.517 68.868 -0.025 0.000 0.909 99 T HN 0.332 nan 8.240 nan 0.000 0.501 100 G N 0.620 109.406 108.800 -0.024 0.000 3.061 100 G HA2 0.207 4.167 3.960 -0.000 0.000 0.208 100 G HA3 0.207 4.167 3.960 -0.000 0.000 0.208 100 G C 0.355 175.241 174.900 -0.024 0.000 1.175 100 G CA 0.208 45.297 45.100 -0.019 0.000 0.812 100 G HN 0.692 nan 8.290 nan 0.000 0.523 101 S N 0.805 116.484 115.700 -0.035 0.000 3.275 101 S HA -0.114 4.356 4.470 -0.000 0.000 0.385 101 S C -1.119 173.457 174.600 -0.040 0.000 0.887 101 S CA 0.222 58.395 58.200 -0.045 0.000 1.346 101 S CB -0.449 62.729 63.200 -0.037 0.000 0.955 101 S HN 0.493 nan 8.310 nan 0.000 0.587 102 P HA 0.380 nan 4.420 nan 0.000 0.277 102 P C -0.205 177.081 177.300 -0.023 0.000 1.276 102 P CA -0.391 62.696 63.100 -0.022 0.000 0.788 102 P CB 0.447 32.135 31.700 -0.020 0.000 1.114 103 E N -0.494 119.714 120.200 0.013 0.000 2.222 103 E HA 0.712 5.062 4.350 -0.000 0.000 0.267 103 E C -0.631 176.011 176.600 0.070 0.000 0.963 103 E CA -0.813 55.604 56.400 0.029 0.000 0.837 103 E CB 1.287 31.015 29.700 0.047 0.000 1.183 103 E HN 0.269 nan 8.360 nan 0.000 0.403 104 L N 0.811 122.089 121.223 0.092 0.000 2.465 104 L HA 0.315 4.655 4.340 -0.000 0.000 0.257 104 L C -0.878 176.146 176.870 0.257 0.000 0.988 104 L CA -0.761 54.163 54.840 0.141 0.000 0.827 104 L CB 2.548 44.574 42.059 -0.054 0.000 1.397 104 L HN 0.423 nan 8.230 nan 0.000 0.410 105 Q N 2.361 122.372 119.800 0.352 0.000 2.372 105 Q HA 0.335 4.675 4.340 -0.000 0.000 0.259 105 Q C -1.002 175.212 176.000 0.357 0.000 0.993 105 Q CA -1.052 54.950 55.803 0.331 0.000 0.854 105 Q CB 1.736 30.704 28.738 0.382 0.000 1.231 105 Q HN 0.515 nan 8.270 nan 0.000 0.462 106 L N 3.787 125.167 121.223 0.262 0.000 2.628 106 L HA -0.118 4.222 4.340 -0.000 0.000 0.274 106 L C 0.920 177.812 176.870 0.036 0.000 1.209 106 L CA 0.963 55.821 54.840 0.031 0.000 0.930 106 L CB 0.824 42.877 42.059 -0.010 0.000 1.183 106 L HN 0.722 nan 8.230 nan 0.000 0.492 107 Q N 5.109 124.862 119.800 -0.078 0.000 2.084 107 Q HA 0.243 4.582 4.340 -0.000 0.000 0.194 107 Q C -0.434 175.668 176.000 0.171 0.000 0.969 107 Q CA 1.642 57.503 55.803 0.098 0.000 0.829 107 Q CB 0.256 29.052 28.738 0.098 0.000 0.904 107 Q HN 0.655 nan 8.270 nan 0.000 0.464 108 F N -2.389 117.462 119.950 -0.165 0.000 2.858 108 F HA 0.692 5.219 4.527 -0.000 0.000 0.319 108 F C -1.471 174.235 175.800 -0.156 0.000 1.166 108 F CA -0.730 57.195 58.000 -0.124 0.000 0.899 108 F CB 0.561 39.522 39.000 -0.066 0.000 1.332 108 F HN -0.101 nan 8.300 nan 0.000 0.461 109 S N 1.426 117.061 115.700 -0.109 0.000 2.595 109 S HA 0.765 5.235 4.470 -0.000 0.000 0.281 109 S C -1.888 172.803 174.600 0.153 0.000 1.117 109 S CA -0.672 57.427 58.200 -0.170 0.000 0.873 109 S CB 1.994 65.125 63.200 -0.114 0.000 1.108 109 S HN 1.030 nan 8.310 nan 0.000 0.477 110 N N 0.726 119.514 118.700 0.147 0.000 2.616 110 N HA 0.297 5.037 4.740 -0.000 0.000 0.281 110 N C -0.539 175.089 175.510 0.198 0.000 1.145 110 N CA 0.237 53.423 53.050 0.226 0.000 0.919 110 N CB 1.591 40.291 38.487 0.355 0.000 1.509 110 N HN 0.924 nan 8.380 nan 0.000 0.537 111 D N 1.505 121.972 120.400 0.113 0.000 3.685 111 D HA -0.301 4.339 4.640 -0.000 0.000 0.152 111 D C 1.173 177.454 176.300 -0.031 0.000 0.966 111 D CA 2.902 56.939 54.000 0.061 0.000 1.085 111 D CB -0.953 39.917 40.800 0.116 0.000 0.521 111 D HN 0.569 nan 8.370 nan 0.000 0.543 112 I N -1.722 118.739 120.570 -0.182 0.000 3.444 112 I HA 0.152 4.322 4.170 -0.000 0.000 0.287 112 I C 0.199 176.040 176.117 -0.460 0.000 1.302 112 I CA 0.083 61.171 61.300 -0.354 0.000 1.368 112 I CB -0.475 37.245 38.000 -0.467 0.000 1.048 112 I HN 0.135 nan 8.210 nan 0.000 0.487 113 Y N 1.719 121.993 120.300 -0.043 0.000 2.387 113 Y HA 0.622 5.172 4.550 -0.000 0.000 0.336 113 Y C 0.462 176.238 175.900 -0.206 0.000 1.067 113 Y CA -0.608 57.437 58.100 -0.092 0.000 1.114 113 Y CB 1.735 40.163 38.460 -0.054 0.000 1.208 113 Y HN 0.195 nan 8.280 nan 0.000 0.458 114 S N -0.002 115.629 115.700 -0.116 0.000 2.565 114 S HA 0.800 5.270 4.470 -0.000 0.000 0.269 114 S C -0.955 173.362 174.600 -0.470 0.000 1.153 114 S CA -0.956 56.987 58.200 -0.429 0.000 0.835 114 S CB 1.779 64.795 63.200 -0.305 0.000 1.122 114 S HN 0.690 nan 8.310 nan 0.000 0.462 115 T N -0.633 113.417 114.554 -0.840 0.000 2.896 115 T HA 0.840 5.189 4.350 -0.000 0.000 0.297 115 T C -1.663 172.612 174.700 -0.708 0.000 1.108 115 T CA -0.649 61.141 62.100 -0.517 0.000 1.004 115 T CB 1.108 69.771 68.868 -0.341 0.000 1.159 115 T HN 0.747 nan 8.240 nan 0.000 0.499 116 Y N -1.353 118.834 120.300 -0.188 0.000 2.609 116 Y HA 0.443 4.993 4.550 -0.000 0.000 0.336 116 Y C 0.043 175.788 175.900 -0.259 0.000 1.129 116 Y CA -1.253 56.771 58.100 -0.127 0.000 1.040 116 Y CB 1.584 40.006 38.460 -0.064 0.000 1.310 116 Y HN 0.707 nan 8.280 nan 0.000 0.460 117 H N 2.233 121.391 119.070 0.147 0.000 2.527 117 H HA 0.424 4.980 4.556 -0.000 0.000 0.321 117 H C -1.132 174.139 175.328 -0.095 0.000 1.087 117 H CA -0.513 55.521 56.048 -0.025 0.000 1.337 117 H CB 2.122 31.901 29.762 0.029 0.000 1.440 117 H HN 0.436 nan 8.280 nan 0.000 0.490 118 L N 3.710 124.810 121.223 -0.205 0.000 2.322 118 L HA 0.367 4.706 4.340 -0.000 0.000 0.281 118 L C -1.479 175.119 176.870 -0.453 0.000 1.014 118 L CA -0.428 54.309 54.840 -0.171 0.000 0.815 118 L CB 0.706 42.714 42.059 -0.085 0.000 1.247 118 L HN 0.340 nan 8.230 nan 0.000 0.421 119 F N 5.934 125.932 119.950 0.080 0.000 2.310 119 F HA 0.526 5.052 4.527 -0.000 0.000 0.365 119 F C -1.828 174.000 175.800 0.047 0.000 1.080 119 F CA -1.548 56.490 58.000 0.063 0.000 1.187 119 F CB 0.265 39.295 39.000 0.051 0.000 1.465 119 F HN 0.446 nan 8.300 nan 0.000 0.496 120 P HA 0.325 nan 4.420 nan 0.000 0.277 120 P C -2.583 174.774 177.300 0.095 0.000 1.271 120 P CA -1.527 61.633 63.100 0.100 0.000 0.795 120 P CB -0.002 31.748 31.700 0.084 0.000 1.101 121 P HA 0.176 nan 4.420 nan 0.000 0.274 121 P C 0.927 178.251 177.300 0.040 0.000 1.237 121 P CA -0.378 62.752 63.100 0.050 0.000 0.793 121 P CB 0.803 32.524 31.700 0.036 0.000 0.977 122 R N 1.245 121.762 120.500 0.028 0.000 2.165 122 R HA -0.276 4.064 4.340 -0.000 0.000 0.254 122 R C 1.955 178.258 176.300 0.005 0.000 1.153 122 R CA 2.506 58.615 56.100 0.015 0.000 0.971 122 R CB -0.388 29.916 30.300 0.008 0.000 0.878 122 R HN 0.577 nan 8.270 nan 0.000 0.449 123 Q N -0.407 119.398 119.800 0.009 0.000 2.364 123 Q HA -0.102 4.237 4.340 -0.000 0.000 0.207 123 Q C 1.683 177.682 176.000 -0.003 0.000 0.970 123 Q CA 0.991 56.795 55.803 0.002 0.000 0.888 123 Q CB -0.042 28.700 28.738 0.008 0.000 0.951 123 Q HN 0.322 nan 8.270 nan 0.000 0.469 124 L N 0.722 121.950 121.223 0.008 0.000 2.591 124 L HA 0.046 4.386 4.340 -0.000 0.000 0.228 124 L C 0.853 177.684 176.870 -0.065 0.000 1.133 124 L CA 0.438 55.274 54.840 -0.006 0.000 0.880 124 L CB 0.088 42.187 42.059 0.066 0.000 1.033 124 L HN 0.206 nan 8.230 nan 0.000 0.450 125 N N -1.252 117.422 118.700 -0.042 0.000 2.236 125 N HA -0.006 4.734 4.740 -0.000 0.000 0.196 125 N C 0.176 175.648 175.510 -0.062 0.000 1.114 125 N CA -0.010 53.012 53.050 -0.046 0.000 0.859 125 N CB -0.048 38.435 38.487 -0.007 0.000 0.982 125 N HN 0.177 nan 8.380 nan 0.000 0.493 126 D N 0.879 121.238 120.400 -0.069 0.000 2.525 126 D HA -0.025 4.614 4.640 -0.000 0.000 0.235 126 D C -0.518 175.730 176.300 -0.087 0.000 1.137 126 D CA 0.487 54.445 54.000 -0.070 0.000 0.868 126 D CB 0.816 41.575 40.800 -0.068 0.000 1.180 126 D HN -0.224 nan 8.370 nan 0.000 0.465 127 V N 5.118 124.984 119.914 -0.080 0.000 2.448 127 V HA 0.193 4.312 4.120 -0.000 0.000 0.295 127 V C 0.453 176.493 176.094 -0.091 0.000 1.025 127 V CA -0.973 61.273 62.300 -0.089 0.000 0.859 127 V CB 1.723 33.495 31.823 -0.085 0.000 0.988 127 V HN 0.485 nan 8.190 nan 0.000 0.431 128 K N 3.121 123.464 120.400 -0.095 0.000 2.338 128 K HA 0.241 4.561 4.320 -0.000 0.000 0.290 128 K C -0.445 176.085 176.600 -0.116 0.000 1.069 128 K CA 0.039 56.270 56.287 -0.094 0.000 0.941 128 K CB 0.376 32.824 32.500 -0.087 0.000 1.023 128 K HN 0.763 nan 8.250 nan 0.000 0.477 129 T N 3.427 117.915 114.554 -0.110 0.000 2.821 129 T HA 0.174 4.524 4.350 -0.000 0.000 0.307 129 T C -0.443 174.192 174.700 -0.109 0.000 1.034 129 T CA -0.437 61.589 62.100 -0.123 0.000 0.953 129 T CB 1.199 69.997 68.868 -0.116 0.000 0.968 129 T HN 0.357 nan 8.240 nan 0.000 0.462 130 T N 3.267 117.744 114.554 -0.129 0.000 2.795 130 T HA 0.532 4.882 4.350 -0.000 0.000 0.282 130 T C -0.050 174.609 174.700 -0.069 0.000 0.980 130 T CA -0.536 61.506 62.100 -0.098 0.000 1.012 130 T CB 1.088 69.884 68.868 -0.120 0.000 0.936 130 T HN 0.312 nan 8.240 nan 0.000 0.457 131 V N 3.900 123.805 119.914 -0.014 0.000 2.448 131 V HA 0.432 4.552 4.120 -0.000 0.000 0.295 131 V C -0.202 175.944 176.094 0.088 0.000 1.025 131 V CA -0.839 61.501 62.300 0.067 0.000 0.859 131 V CB 1.861 33.738 31.823 0.091 0.000 0.988 131 V HN 0.689 nan 8.190 nan 0.000 0.431 132 V N 5.828 125.801 119.914 0.098 0.000 2.328 132 V HA 0.470 4.590 4.120 -0.000 0.000 0.278 132 V C -0.923 175.265 176.094 0.157 0.000 1.021 132 V CA -0.516 61.801 62.300 0.028 0.000 0.838 132 V CB 0.819 32.551 31.823 -0.152 0.000 0.999 132 V HN 0.813 nan 8.190 nan 0.000 0.447 133 Y N 7.417 127.745 120.300 0.047 0.000 2.362 133 Y HA 0.732 5.282 4.550 -0.000 0.000 0.326 133 Y C -2.574 173.377 175.900 0.085 0.000 1.083 133 Y CA -2.089 56.079 58.100 0.114 0.000 1.073 133 Y CB 2.028 40.654 38.460 0.277 0.000 1.211 133 Y HN 0.582 nan 8.280 nan 0.000 0.433 134 P HA 0.658 nan 4.420 nan 0.000 0.282 134 P C -1.249 175.996 177.300 -0.092 0.000 1.249 134 P CA -0.452 62.369 63.100 -0.465 0.000 0.806 134 P CB 1.673 33.070 31.700 -0.506 0.000 0.984 135 A N 1.443 124.278 122.820 0.026 0.000 2.306 135 A HA 0.700 5.020 4.320 -0.000 0.000 0.330 135 A C 0.352 178.043 177.584 0.179 0.000 1.146 135 A CA -0.344 51.774 52.037 0.135 0.000 0.827 135 A CB 0.550 19.598 19.000 0.079 0.000 1.178 135 A HN 0.690 nan 8.150 nan 0.000 0.490 136 T N -1.704 113.053 114.554 0.338 0.000 2.949 136 T HA 0.448 4.798 4.350 -0.000 0.000 0.287 136 T C 0.741 175.435 174.700 -0.011 0.000 1.034 136 T CA 0.004 62.140 62.100 0.060 0.000 1.018 136 T CB 1.371 70.205 68.868 -0.057 0.000 1.135 136 T HN 0.602 nan 8.240 nan 0.000 0.532 137 E N 0.656 120.828 120.200 -0.047 0.000 2.219 137 E HA -0.178 4.172 4.350 -0.000 0.000 0.198 137 E C 1.881 178.433 176.600 -0.079 0.000 0.998 137 E CA 1.631 57.999 56.400 -0.053 0.000 0.818 137 E CB -0.267 29.412 29.700 -0.036 0.000 0.741 137 E HN 0.724 nan 8.360 nan 0.000 0.477 138 K N -1.204 119.108 120.400 -0.148 0.000 2.057 138 K HA -0.169 4.150 4.320 -0.000 0.000 0.207 138 K C 2.004 178.486 176.600 -0.197 0.000 1.049 138 K CA 1.668 57.833 56.287 -0.205 0.000 0.931 138 K CB -0.185 32.129 32.500 -0.310 0.000 0.714 138 K HN 0.393 nan 8.250 nan 0.000 0.440 139 H N 0.139 119.188 119.070 -0.036 0.000 2.357 139 H HA -0.088 4.468 4.556 -0.000 0.000 0.301 139 H C 2.003 177.347 175.328 0.026 0.000 1.082 139 H CA 1.630 57.680 56.048 0.004 0.000 1.342 139 H CB -0.043 29.775 29.762 0.094 0.000 1.389 139 H HN 0.059 nan 8.280 nan 0.000 0.511 140 L N 0.105 121.387 121.223 0.098 0.000 1.989 140 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 140 L C 2.492 179.386 176.870 0.041 0.000 1.071 140 L CA 1.296 56.173 54.840 0.061 0.000 0.749 140 L CB -0.476 41.559 42.059 -0.039 0.000 0.890 140 L HN 0.208 nan 8.230 nan 0.000 0.431 141 Q N 0.434 120.222 119.800 -0.021 0.000 2.226 141 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 141 Q C 2.111 178.048 176.000 -0.106 0.000 0.975 141 Q CA 1.446 57.220 55.803 -0.049 0.000 0.866 141 Q CB -0.201 28.500 28.738 -0.062 0.000 0.915 141 Q HN 0.352 nan 8.270 nan 0.000 0.440 142 K N -1.334 118.951 120.400 -0.192 0.000 2.148 142 K HA -0.151 4.169 4.320 -0.000 0.000 0.204 142 K C 1.049 177.390 176.600 -0.431 0.000 1.050 142 K CA 1.226 57.282 56.287 -0.385 0.000 0.942 142 K CB -0.013 32.120 32.500 -0.612 0.000 0.724 142 K HN 0.335 nan 8.250 nan 0.000 0.446 143 Y N 0.032 120.327 120.300 -0.009 0.000 2.507 143 Y HA 0.112 4.662 4.550 -0.000 0.000 0.263 143 Y C 0.436 176.243 175.900 -0.156 0.000 1.093 143 Y CA -0.990 57.048 58.100 -0.102 0.000 1.285 143 Y CB 0.452 38.930 38.460 0.031 0.000 1.115 143 Y HN -0.014 nan 8.280 nan 0.000 0.533 144 L N 2.517 123.771 121.223 0.052 0.000 2.559 144 L HA 0.068 4.408 4.340 -0.000 0.000 0.274 144 L C -0.345 176.512 176.870 -0.023 0.000 1.205 144 L CA 0.484 55.339 54.840 0.024 0.000 0.907 144 L CB 0.199 42.279 42.059 0.035 0.000 1.153 144 L HN 0.019 nan 8.230 nan 0.000 0.490 145 R N 3.796 124.281 120.500 -0.024 0.000 2.628 145 R HA 0.396 4.736 4.340 -0.000 0.000 0.288 145 R C -1.057 175.237 176.300 -0.011 0.000 0.980 145 R CA -0.891 55.189 56.100 -0.032 0.000 0.891 145 R CB 1.826 32.093 30.300 -0.055 0.000 1.188 145 R HN 0.577 nan 8.270 nan 0.000 0.450 146 Q N 1.285 121.078 119.800 -0.011 0.000 2.293 146 Q HA 0.185 4.525 4.340 -0.000 0.000 0.251 146 Q C -0.307 175.691 176.000 -0.002 0.000 0.930 146 Q CA -0.210 55.591 55.803 -0.003 0.000 0.893 146 Q CB 0.907 29.642 28.738 -0.006 0.000 1.215 146 Q HN 0.320 nan 8.270 nan 0.000 0.425 147 D N 1.329 121.732 120.400 0.004 0.000 2.368 147 D HA 0.231 4.870 4.640 -0.000 0.000 0.240 147 D C 0.135 176.437 176.300 0.002 0.000 1.169 147 D CA 0.095 54.098 54.000 0.005 0.000 0.906 147 D CB 0.810 41.615 40.800 0.009 0.000 1.187 147 D HN 0.266 nan 8.370 nan 0.000 0.435 148 L N 1.336 122.560 121.223 0.002 0.000 2.313 148 L HA 0.568 4.908 4.340 -0.000 0.000 0.268 148 L C 0.252 177.124 176.870 0.003 0.000 1.010 148 L CA -0.936 53.907 54.840 0.004 0.000 0.814 148 L CB 1.250 43.310 42.059 0.002 0.000 1.304 148 L HN 0.071 nan 8.230 nan 0.000 0.441 149 R N 1.537 122.042 120.500 0.008 0.000 2.621 149 R HA 0.478 4.818 4.340 -0.000 0.000 0.284 149 R C -1.329 174.965 176.300 -0.010 0.000 0.998 149 R CA -0.967 55.131 56.100 -0.003 0.000 0.895 149 R CB 2.109 32.407 30.300 -0.004 0.000 1.195 149 R HN 0.310 nan 8.270 nan 0.000 0.450 150 L N 2.629 123.832 121.223 -0.034 0.000 2.397 150 L HA 0.421 4.760 4.340 -0.000 0.000 0.271 150 L C -0.257 176.536 176.870 -0.130 0.000 1.148 150 L CA -0.019 54.777 54.840 -0.073 0.000 0.825 150 L CB 0.558 42.578 42.059 -0.065 0.000 1.117 150 L HN 0.559 nan 8.230 nan 0.000 0.456 151 I N 3.537 123.944 120.570 -0.271 0.000 2.619 151 I HA 0.426 4.596 4.170 -0.000 0.000 0.292 151 I C -0.831 175.004 176.117 -0.470 0.000 1.100 151 I CA -0.412 60.679 61.300 -0.348 0.000 1.043 151 I CB 1.511 39.323 38.000 -0.313 0.000 1.239 151 I HN 0.487 nan 8.210 nan 0.000 0.420 152 R N 5.631 125.974 120.500 -0.261 0.000 2.215 152 R HA 0.310 4.650 4.340 -0.000 0.000 0.337 152 R C -0.651 175.579 176.300 -0.116 0.000 1.010 152 R CA -0.567 55.425 56.100 -0.180 0.000 0.871 152 R CB 1.078 31.325 30.300 -0.088 0.000 1.134 152 R HN 0.533 nan 8.270 nan 0.000 0.477 153 E N 3.441 123.597 120.200 -0.075 0.000 2.044 153 E HA 0.048 4.398 4.350 -0.000 0.000 0.282 153 E C -0.059 176.614 176.600 0.121 0.000 1.031 153 E CA -0.347 56.113 56.400 0.100 0.000 0.824 153 E CB 0.847 30.764 29.700 0.362 0.000 1.076 153 E HN 0.525 nan 8.360 nan 0.000 0.395 154 T N 1.051 115.655 114.554 0.083 0.000 2.734 154 T HA 0.079 4.429 4.350 -0.000 0.000 0.314 154 T C 1.418 176.190 174.700 0.121 0.000 1.057 154 T CA -0.151 61.992 62.100 0.071 0.000 1.047 154 T CB 1.237 70.133 68.868 0.046 0.000 0.991 154 T HN 0.485 nan 8.240 nan 0.000 0.540 155 G N 0.580 109.427 108.800 0.078 0.000 2.440 155 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 155 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 155 G C 1.174 176.165 174.900 0.150 0.000 1.154 155 G CA 0.873 46.036 45.100 0.104 0.000 0.767 155 G HN 0.792 nan 8.290 nan 0.000 0.552 156 D N 0.959 121.418 120.400 0.098 0.000 2.097 156 D HA -0.074 4.566 4.640 -0.000 0.000 0.195 156 D C 2.170 178.530 176.300 0.100 0.000 0.989 156 D CA 1.043 55.094 54.000 0.085 0.000 0.827 156 D CB -0.351 40.479 40.800 0.050 0.000 0.966 156 D HN 0.155 nan 8.370 nan 0.000 0.456 157 D N -0.384 120.084 120.400 0.112 0.000 2.133 157 D HA -0.205 4.434 4.640 -0.000 0.000 0.195 157 D C 1.953 178.344 176.300 0.152 0.000 0.997 157 D CA 0.792 54.862 54.000 0.117 0.000 0.840 157 D CB -0.499 40.378 40.800 0.127 0.000 0.947 157 D HN 0.324 nan 8.370 nan 0.000 0.452 158 Y N 1.619 121.986 120.300 0.112 0.000 2.181 158 Y HA -0.147 4.403 4.550 -0.000 0.000 0.288 158 Y C 2.391 178.347 175.900 0.093 0.000 1.146 158 Y CA 1.542 59.723 58.100 0.135 0.000 1.164 158 Y CB -0.052 38.503 38.460 0.159 0.000 0.982 158 Y HN -0.178 nan 8.280 nan 0.000 0.515 159 R N -0.048 120.463 120.500 0.019 0.000 2.070 159 R HA -0.154 4.186 4.340 -0.000 0.000 0.233 159 R C 1.847 178.089 176.300 -0.096 0.000 1.137 159 R CA 1.610 57.675 56.100 -0.059 0.000 0.945 159 R CB -0.355 29.980 30.300 0.058 0.000 0.845 159 R HN 0.379 nan 8.270 nan 0.000 0.430 160 N N -0.156 118.523 118.700 -0.036 0.000 2.331 160 N HA -0.049 4.691 4.740 -0.000 0.000 0.180 160 N C 1.449 176.939 175.510 -0.035 0.000 1.019 160 N CA 1.209 54.244 53.050 -0.025 0.000 0.881 160 N CB 0.221 38.709 38.487 0.002 0.000 0.972 160 N HN 0.251 nan 8.380 nan 0.000 0.435 161 I N -1.216 119.327 120.570 -0.045 0.000 3.746 161 I HA 0.014 4.184 4.170 -0.000 0.000 0.262 161 I C 1.704 177.800 176.117 -0.034 0.000 1.153 161 I CA 0.362 61.650 61.300 -0.021 0.000 1.395 161 I CB -0.288 37.718 38.000 0.010 0.000 1.589 161 I HN -0.186 nan 8.210 nan 0.000 0.441 162 T N 2.168 116.690 114.554 -0.054 0.000 2.708 162 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 162 T C 1.838 176.438 174.700 -0.167 0.000 1.037 162 T CA 1.688 63.762 62.100 -0.044 0.000 1.146 162 T CB -0.287 68.644 68.868 0.105 0.000 0.865 162 T HN 0.124 nan 8.240 nan 0.000 0.435 163 L N 2.670 123.603 121.223 -0.483 0.000 1.994 163 L HA 0.023 4.363 4.340 -0.000 0.000 0.208 163 L C -0.973 175.781 176.870 -0.194 0.000 1.071 163 L CA 1.998 56.582 54.840 -0.427 0.000 0.745 163 L CB -1.564 40.132 42.059 -0.606 0.000 0.892 163 L HN 0.088 nan 8.230 nan 0.000 0.431 164 P HA -0.251 nan 4.420 nan 0.000 0.214 164 P C 1.615 178.877 177.300 -0.063 0.000 1.163 164 P CA 1.922 64.974 63.100 -0.080 0.000 0.889 164 P CB -0.502 31.167 31.700 -0.051 0.000 0.790 165 H N 0.387 119.393 119.070 -0.105 0.000 2.357 165 H HA -0.174 4.382 4.556 -0.000 0.000 0.296 165 H C 1.765 177.022 175.328 -0.118 0.000 1.108 165 H CA 2.112 58.106 56.048 -0.090 0.000 1.273 165 H CB -0.366 29.353 29.762 -0.071 0.000 1.367 165 H HN 0.009 nan 8.280 nan 0.000 0.498 166 L N 0.869 121.992 121.223 -0.166 0.000 2.179 166 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 166 L C 2.221 178.930 176.870 -0.269 0.000 1.096 166 L CA 1.516 56.181 54.840 -0.290 0.000 0.779 166 L CB -0.529 41.294 42.059 -0.393 0.000 0.922 166 L HN 0.234 nan 8.230 nan 0.000 0.443 167 E N 0.398 120.485 120.200 -0.188 0.000 2.204 167 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 167 E C 1.907 178.430 176.600 -0.129 0.000 0.990 167 E CA 1.341 57.665 56.400 -0.127 0.000 0.821 167 E CB -0.534 29.119 29.700 -0.078 0.000 0.750 167 E HN 0.652 nan 8.360 nan 0.000 0.477 168 S N 0.197 115.792 115.700 -0.176 0.000 2.387 168 S HA -0.111 4.359 4.470 -0.000 0.000 0.226 168 S C 0.920 175.401 174.600 -0.198 0.000 1.026 168 S CA 0.883 58.979 58.200 -0.173 0.000 0.972 168 S CB 0.047 63.135 63.200 -0.186 0.000 0.814 168 S HN 0.136 nan 8.310 nan 0.000 0.477 169 Q N 0.895 120.515 119.800 -0.300 0.000 2.275 169 Q HA 0.527 4.867 4.340 -0.000 0.000 0.266 169 Q C -1.421 174.466 176.000 -0.188 0.000 1.002 169 Q CA -0.362 55.287 55.803 -0.256 0.000 0.761 169 Q CB 1.648 30.148 28.738 -0.397 0.000 1.255 169 Q HN 0.263 nan 8.270 nan 0.000 0.446 170 S N 2.352 118.006 115.700 -0.076 0.000 2.550 170 S HA 0.742 5.212 4.470 -0.000 0.000 0.270 170 S C -1.209 173.425 174.600 0.056 0.000 1.145 170 S CA -0.928 57.273 58.200 0.002 0.000 0.852 170 S CB 0.590 63.795 63.200 0.007 0.000 1.119 170 S HN 0.364 nan 8.310 nan 0.000 0.465 171 L N 1.922 123.199 121.223 0.090 0.000 2.417 171 L HA 0.575 4.915 4.340 -0.000 0.000 0.268 171 L C 1.099 178.096 176.870 0.212 0.000 1.158 171 L CA -0.130 54.774 54.840 0.107 0.000 0.819 171 L CB 0.340 42.410 42.059 0.018 0.000 1.112 171 L HN 0.885 nan 8.230 nan 0.000 0.458 172 S N 2.465 118.296 115.700 0.219 0.000 2.546 172 S HA 0.140 4.610 4.470 -0.000 0.000 0.290 172 S C 0.957 175.719 174.600 0.270 0.000 1.290 172 S CA -0.478 57.842 58.200 0.200 0.000 1.069 172 S CB -0.103 63.199 63.200 0.170 0.000 0.846 172 S HN 0.597 nan 8.310 nan 0.000 0.495 173 I N 2.549 123.134 120.570 0.025 0.000 3.858 173 I HA 0.245 4.414 4.170 -0.000 0.000 0.325 173 I C 1.566 177.266 176.117 -0.696 0.000 1.403 173 I CA -0.283 60.822 61.300 -0.325 0.000 1.169 173 I CB -0.149 37.590 38.000 -0.435 0.000 1.077 173 I HN 0.501 nan 8.210 nan 0.000 0.403 174 Q N 2.758 122.397 119.800 -0.269 0.000 2.014 174 Q HA -0.211 4.129 4.340 -0.000 0.000 0.207 174 Q C 2.035 177.905 176.000 -0.217 0.000 0.993 174 Q CA 3.051 58.770 55.803 -0.141 0.000 0.850 174 Q CB -0.588 28.180 28.738 0.051 0.000 0.916 174 Q HN 0.846 nan 8.270 nan 0.000 0.417 175 W N -0.263 120.947 121.300 -0.151 0.000 2.313 175 W HA -0.189 4.471 4.660 -0.000 0.000 0.293 175 W C 1.414 177.832 176.519 -0.168 0.000 1.216 175 W CA 1.250 58.506 57.345 -0.148 0.000 1.223 175 W CB -1.275 28.074 29.460 -0.186 0.000 1.138 175 W HN 0.039 nan 8.180 nan 0.000 0.535 176 V N 1.611 120.683 119.914 -1.403 0.000 2.229 176 V HA -0.341 3.779 4.120 -0.000 0.000 0.243 176 V C 2.501 178.293 176.094 -0.505 0.000 1.042 176 V CA 2.356 63.923 62.300 -1.221 0.000 1.000 176 V CB -1.543 29.450 31.823 -1.384 0.000 0.637 176 V HN 0.148 nan 8.190 nan 0.000 0.446 177 Y N 0.830 120.850 120.300 -0.467 0.000 2.062 177 Y HA -0.377 4.172 4.550 -0.000 0.000 0.273 177 Y C 2.802 178.598 175.900 -0.174 0.000 1.206 177 Y CA 1.527 59.465 58.100 -0.270 0.000 1.125 177 Y CB -0.634 37.708 38.460 -0.196 0.000 0.951 177 Y HN 0.358 nan 8.280 nan 0.000 0.501 178 N N 0.559 119.268 118.700 0.014 0.000 2.061 178 N HA -0.204 4.536 4.740 -0.000 0.000 0.193 178 N C 1.739 177.245 175.510 -0.007 0.000 1.030 178 N CA 1.772 54.830 53.050 0.014 0.000 0.856 178 N CB -0.654 37.855 38.487 0.037 0.000 1.023 178 N HN 0.400 nan 8.380 nan 0.000 0.424 179 I N 1.018 121.562 120.570 -0.043 0.000 2.142 179 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 179 I C 2.193 178.278 176.117 -0.055 0.000 1.078 179 I CA 0.854 62.128 61.300 -0.043 0.000 1.343 179 I CB -0.299 37.666 38.000 -0.058 0.000 1.046 179 I HN 0.052 nan 8.210 nan 0.000 0.405 180 L N 0.685 121.855 121.223 -0.089 0.000 2.127 180 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 180 L C 1.173 178.071 176.870 0.047 0.000 1.089 180 L CA 1.556 56.347 54.840 -0.081 0.000 0.757 180 L CB -0.607 41.401 42.059 -0.084 0.000 0.899 180 L HN 0.513 nan 8.230 nan 0.000 0.434 181 D N -3.454 116.957 120.400 0.018 0.000 2.593 181 D HA 0.078 4.718 4.640 -0.000 0.000 0.241 181 D C 0.643 176.946 176.300 0.005 0.000 1.257 181 D CA -0.303 53.709 54.000 0.020 0.000 0.828 181 D CB 0.509 41.309 40.800 0.001 0.000 1.049 181 D HN -0.200 nan 8.370 nan 0.000 0.490 182 K N -0.278 120.123 120.400 0.002 0.000 3.553 182 K HA -0.167 4.153 4.320 -0.000 0.000 0.303 182 K C 1.170 177.770 176.600 -0.000 0.000 1.327 182 K CA 0.904 57.189 56.287 -0.003 0.000 0.983 182 K CB -1.502 30.994 32.500 -0.008 0.000 1.275 182 K HN 0.211 nan 8.250 nan 0.000 0.453 183 K N 0.033 120.435 120.400 0.004 0.000 2.283 183 K HA 0.077 4.397 4.320 -0.000 0.000 0.202 183 K C 0.782 177.390 176.600 0.013 0.000 1.048 183 K CA 1.190 57.482 56.287 0.008 0.000 0.948 183 K CB 0.103 32.609 32.500 0.011 0.000 0.742 183 K HN 0.376 nan 8.250 nan 0.000 0.458 184 A N 0.359 123.189 122.820 0.017 0.000 2.386 184 A HA 0.449 4.769 4.320 -0.000 0.000 0.311 184 A C -0.549 177.051 177.584 0.027 0.000 1.068 184 A CA -0.459 51.594 52.037 0.028 0.000 0.743 184 A CB 0.916 19.946 19.000 0.049 0.000 1.258 184 A HN 0.304 nan 8.150 nan 0.000 0.429 185 E N -0.228 119.988 120.200 0.027 0.000 2.586 185 E HA -0.293 4.057 4.350 -0.000 0.000 0.259 185 E C 0.971 177.583 176.600 0.019 0.000 1.107 185 E CA 0.639 57.056 56.400 0.029 0.000 0.754 185 E CB -1.667 28.063 29.700 0.050 0.000 1.335 185 E HN 1.005 nan 8.360 nan 0.000 0.411 186 A N 1.092 123.918 122.820 0.009 0.000 2.072 186 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 186 A C 1.734 179.318 177.584 -0.000 0.000 1.156 186 A CA 1.104 53.141 52.037 -0.000 0.000 0.701 186 A CB -0.021 18.975 19.000 -0.006 0.000 0.816 186 A HN 0.423 nan 8.150 nan 0.000 0.458 187 D N -0.205 120.197 120.400 0.003 0.000 2.392 187 D HA -0.125 4.515 4.640 -0.000 0.000 0.228 187 D C 1.010 177.315 176.300 0.009 0.000 1.003 187 D CA 0.639 54.640 54.000 0.002 0.000 0.917 187 D CB -0.253 40.547 40.800 -0.000 0.000 0.890 187 D HN 0.536 nan 8.370 nan 0.000 0.532 188 R N -0.677 119.834 120.500 0.020 0.000 2.538 188 R HA 0.339 4.679 4.340 -0.000 0.000 0.372 188 R C 0.100 176.433 176.300 0.056 0.000 0.950 188 R CA -0.531 55.593 56.100 0.040 0.000 1.168 188 R CB 0.511 30.840 30.300 0.049 0.000 1.542 188 R HN 0.034 nan 8.270 nan 0.000 0.536 189 I N 0.650 121.240 120.570 0.033 0.000 2.752 189 I HA -0.126 4.044 4.170 -0.000 0.000 0.287 189 I C 1.407 177.558 176.117 0.056 0.000 1.188 189 I CA 0.344 61.663 61.300 0.033 0.000 1.427 189 I CB 1.106 39.098 38.000 -0.013 0.000 1.365 189 I HN -0.110 nan 8.210 nan 0.000 0.585 190 V N 5.978 125.950 119.914 0.096 0.000 2.788 190 V HA 0.163 4.283 4.120 -0.000 0.000 0.241 190 V C -0.020 176.177 176.094 0.171 0.000 1.083 190 V CA 0.680 63.054 62.300 0.122 0.000 1.103 190 V CB 0.155 32.087 31.823 0.182 0.000 0.800 190 V HN 0.619 nan 8.190 nan 0.000 0.476 191 F N 0.152 120.084 119.950 -0.030 0.000 2.641 191 F HA 0.614 5.141 4.527 -0.000 0.000 0.308 191 F C -1.021 174.696 175.800 -0.138 0.000 1.105 191 F CA -0.964 56.993 58.000 -0.071 0.000 0.964 191 F CB 1.694 40.661 39.000 -0.055 0.000 1.294 191 F HN 0.027 nan 8.300 nan 0.000 0.442 192 E N 4.014 123.486 120.200 -1.214 0.000 2.275 192 E HA 0.273 4.622 4.350 -0.000 0.000 0.270 192 E C -1.960 173.751 176.600 -1.482 0.000 0.882 192 E CA -0.837 54.937 56.400 -1.044 0.000 0.758 192 E CB 1.460 30.880 29.700 -0.468 0.000 1.195 192 E HN 0.561 nan 8.360 nan 0.000 0.419 193 N N 5.823 123.838 118.700 -1.141 0.000 2.527 193 N HA 0.235 4.975 4.740 -0.000 0.000 0.236 193 N C -2.032 173.328 175.510 -0.250 0.000 0.999 193 N CA -2.344 50.373 53.050 -0.555 0.000 0.935 193 N CB 1.418 39.740 38.487 -0.276 0.000 1.132 193 N HN 0.357 nan 8.380 nan 0.000 0.511 194 P HA -0.081 nan 4.420 nan 0.000 0.228 194 P C -0.105 177.065 177.300 -0.217 0.000 1.151 194 P CA 0.546 63.520 63.100 -0.210 0.000 0.770 194 P CB 0.015 31.582 31.700 -0.222 0.000 0.786 195 D N 1.517 121.866 120.400 -0.085 0.000 2.660 195 D HA -0.081 4.559 4.640 -0.000 0.000 0.253 195 D C -0.878 175.404 176.300 -0.030 0.000 1.256 195 D CA -0.815 53.160 54.000 -0.042 0.000 0.914 195 D CB 0.696 41.514 40.800 0.029 0.000 1.137 195 D HN 0.144 nan 8.370 nan 0.000 0.542 196 P HA -0.199 nan 4.420 nan 0.000 0.218 196 P C 1.236 178.581 177.300 0.075 0.000 1.146 196 P CA 0.923 64.005 63.100 -0.030 0.000 0.820 196 P CB 0.372 32.044 31.700 -0.046 0.000 0.778 197 S N 0.016 115.757 115.700 0.069 0.000 2.398 197 S HA -0.021 4.449 4.470 -0.000 0.000 0.220 197 S C 1.173 175.852 174.600 0.131 0.000 1.046 197 S CA 0.606 58.859 58.200 0.088 0.000 0.953 197 S CB -0.477 62.755 63.200 0.053 0.000 0.856 197 S HN 0.080 nan 8.310 nan 0.000 0.506 198 D N 1.201 121.682 120.400 0.136 0.000 2.615 198 D HA 0.308 4.948 4.640 -0.000 0.000 0.236 198 D C 0.666 177.127 176.300 0.269 0.000 1.233 198 D CA -0.083 54.029 54.000 0.187 0.000 0.829 198 D CB 0.362 41.257 40.800 0.159 0.000 1.024 198 D HN 0.408 nan 8.370 nan 0.000 0.490 199 G N 0.614 109.578 108.800 0.274 0.000 2.795 199 G HA2 0.713 4.673 3.960 -0.000 0.000 0.267 199 G HA3 0.713 4.673 3.960 -0.000 0.000 0.267 199 G C -0.801 174.354 174.900 0.425 0.000 1.362 199 G CA -0.881 44.405 45.100 0.310 0.000 1.048 199 G HN 0.223 nan 8.290 nan 0.000 0.547 200 F N -3.399 116.653 119.950 0.172 0.000 2.843 200 F HA 0.566 5.093 4.527 -0.000 0.000 0.323 200 F C -1.474 174.296 175.800 -0.051 0.000 1.142 200 F CA -1.432 56.568 58.000 -0.000 0.000 0.925 200 F CB 0.686 39.724 39.000 0.064 0.000 1.277 200 F HN 0.506 nan 8.300 nan 0.000 0.446 201 V N 2.053 121.925 119.914 -0.069 0.000 2.815 201 V HA 0.787 4.907 4.120 -0.000 0.000 0.314 201 V C -1.247 174.936 176.094 0.148 0.000 1.064 201 V CA -0.815 61.423 62.300 -0.102 0.000 0.952 201 V CB 1.832 33.573 31.823 -0.136 0.000 1.020 201 V HN 0.874 nan 8.190 nan 0.000 0.439 202 L N 5.956 127.256 121.223 0.129 0.000 2.406 202 L HA 0.730 5.070 4.340 -0.000 0.000 0.270 202 L C -0.971 175.971 176.870 0.120 0.000 0.982 202 L CA -0.157 54.782 54.840 0.165 0.000 0.843 202 L CB 1.268 43.462 42.059 0.226 0.000 1.225 202 L HN 0.580 nan 8.230 nan 0.000 0.412 203 I N 3.069 123.709 120.570 0.116 0.000 2.934 203 I HA 0.765 4.934 4.170 -0.000 0.000 0.306 203 I C -2.730 173.491 176.117 0.173 0.000 1.110 203 I CA -3.156 58.225 61.300 0.134 0.000 1.019 203 I CB 0.878 38.945 38.000 0.111 0.000 1.227 203 I HN 0.311 nan 8.210 nan 0.000 0.434 204 P HA 0.079 nan 4.420 nan 0.000 0.266 204 P C -0.409 177.009 177.300 0.195 0.000 1.195 204 P CA 0.197 63.480 63.100 0.305 0.000 0.768 204 P CB 0.484 32.388 31.700 0.341 0.000 0.838 205 D N 2.273 122.779 120.400 0.177 0.000 2.372 205 D HA 0.017 4.657 4.640 -0.000 0.000 0.243 205 D C 1.395 177.697 176.300 0.003 0.000 1.121 205 D CA -0.209 53.791 54.000 0.001 0.000 0.898 205 D CB 0.842 41.492 40.800 -0.250 0.000 1.202 205 D HN 0.259 nan 8.370 nan 0.000 0.428 206 L N 2.928 124.104 121.223 -0.079 0.000 2.349 206 L HA -0.170 4.170 4.340 -0.000 0.000 0.220 206 L C 2.127 178.979 176.870 -0.030 0.000 1.130 206 L CA 1.063 55.865 54.840 -0.063 0.000 0.791 206 L CB -0.297 41.687 42.059 -0.126 0.000 0.918 206 L HN 0.380 nan 8.230 nan 0.000 0.444 207 K N -1.245 119.114 120.400 -0.069 0.000 2.362 207 K HA -0.146 4.174 4.320 -0.000 0.000 0.200 207 K C 0.306 177.002 176.600 0.160 0.000 1.046 207 K CA 0.480 56.763 56.287 -0.006 0.000 0.952 207 K CB 0.073 32.498 32.500 -0.126 0.000 0.753 207 K HN 0.116 nan 8.250 nan 0.000 0.466 208 W N 2.458 123.731 121.300 -0.045 0.000 2.429 208 W HA 0.147 4.807 4.660 -0.000 0.000 0.314 208 W C 0.389 176.895 176.519 -0.022 0.000 1.062 208 W CA -1.710 55.623 57.345 -0.019 0.000 1.211 208 W CB 0.612 30.080 29.460 0.013 0.000 1.305 208 W HN 0.008 nan 8.180 nan 0.000 0.476 209 N N 3.569 122.165 118.700 -0.173 0.000 2.461 209 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 209 N C 0.343 175.504 175.510 -0.581 0.000 1.134 209 N CA 0.852 53.732 53.050 -0.282 0.000 0.878 209 N CB -0.168 38.231 38.487 -0.147 0.000 0.972 209 N HN 0.804 nan 8.380 nan 0.000 0.456 210 Q N -1.527 117.469 119.800 -1.339 0.000 2.393 210 Q HA -0.240 4.100 4.340 -0.000 0.000 0.235 210 Q C 0.257 175.810 176.000 -0.745 0.000 0.823 210 Q CA 1.313 56.156 55.803 -1.600 0.000 1.284 210 Q CB -1.382 26.776 28.738 -0.967 0.000 1.669 210 Q HN 0.534 nan 8.270 nan 0.000 0.597 211 Q N 0.304 119.833 119.800 -0.451 0.000 2.435 211 Q HA -0.033 4.307 4.340 -0.000 0.000 0.207 211 Q C 0.922 176.881 176.000 -0.068 0.000 0.956 211 Q CA 1.054 56.744 55.803 -0.189 0.000 0.917 211 Q CB 0.277 28.946 28.738 -0.116 0.000 0.997 211 Q HN 0.628 nan 8.270 nan 0.000 0.497 212 Q N -1.053 118.754 119.800 0.011 0.000 2.522 212 Q HA 0.238 4.578 4.340 -0.000 0.000 0.285 212 Q C -0.136 176.054 176.000 0.318 0.000 0.982 212 Q CA -0.481 55.403 55.803 0.134 0.000 0.805 212 Q CB 0.522 29.316 28.738 0.093 0.000 1.457 212 Q HN 0.079 nan 8.270 nan 0.000 0.394 213 L N 0.605 121.961 121.223 0.222 0.000 2.558 213 L HA 0.034 4.374 4.340 -0.000 0.000 0.225 213 L C 0.917 177.808 176.870 0.035 0.000 1.128 213 L CA 0.207 55.145 54.840 0.164 0.000 0.868 213 L CB -0.067 42.053 42.059 0.103 0.000 1.006 213 L HN 0.567 nan 8.230 nan 0.000 0.454 214 D N 1.438 121.869 120.400 0.051 0.000 2.126 214 D HA -0.205 4.435 4.640 -0.000 0.000 0.190 214 D C 1.010 177.222 176.300 -0.145 0.000 1.001 214 D CA 1.750 55.748 54.000 -0.004 0.000 0.841 214 D CB -0.100 40.708 40.800 0.013 0.000 0.949 214 D HN 0.485 nan 8.370 nan 0.000 0.446 215 D N -0.117 120.107 120.400 -0.293 0.000 2.755 215 D HA 0.047 4.687 4.640 -0.000 0.000 0.257 215 D C 0.466 176.194 176.300 -0.953 0.000 1.291 215 D CA -0.510 52.935 54.000 -0.924 0.000 0.836 215 D CB -0.983 39.234 40.800 -0.972 0.000 1.059 215 D HN 0.142 nan 8.370 nan 0.000 0.486 216 L N 1.136 121.869 121.223 -0.816 0.000 2.601 216 L HA 0.112 4.452 4.340 -0.000 0.000 0.277 216 L C -1.245 175.055 176.870 -0.950 0.000 1.219 216 L CA 0.285 54.246 54.840 -1.466 0.000 0.915 216 L CB 0.139 41.634 42.059 -0.940 0.000 1.160 216 L HN 0.102 nan 8.230 nan 0.000 0.494 217 Y N 5.754 125.345 120.300 -1.182 0.000 2.354 217 Y HA 0.627 5.176 4.550 -0.000 0.000 0.330 217 Y C -1.323 174.487 175.900 -0.149 0.000 1.011 217 Y CA -1.163 56.741 58.100 -0.326 0.000 1.099 217 Y CB 1.372 39.809 38.460 -0.039 0.000 1.179 217 Y HN 0.490 nan 8.280 nan 0.000 0.442 218 L N 6.692 128.110 121.223 0.325 0.000 2.370 218 L HA 0.654 4.994 4.340 -0.000 0.000 0.266 218 L C -0.942 176.101 176.870 0.287 0.000 1.002 218 L CA -1.290 53.707 54.840 0.262 0.000 0.818 218 L CB 2.169 44.285 42.059 0.096 0.000 1.325 218 L HN 0.446 nan 8.230 nan 0.000 0.418 219 I N 0.223 120.883 120.570 0.150 0.000 2.562 219 I HA 0.844 5.014 4.170 -0.000 0.000 0.301 219 I C -0.272 175.895 176.117 0.083 0.000 1.003 219 I CA -1.758 59.577 61.300 0.058 0.000 1.127 219 I CB 1.153 39.092 38.000 -0.101 0.000 1.304 219 I HN 0.580 nan 8.210 nan 0.000 0.446 220 A N 7.127 130.013 122.820 0.111 0.000 2.273 220 A HA 0.817 5.137 4.320 -0.000 0.000 0.315 220 A C -0.281 177.369 177.584 0.110 0.000 1.256 220 A CA -0.567 51.550 52.037 0.133 0.000 0.851 220 A CB 0.203 19.244 19.000 0.068 0.000 1.172 220 A HN 0.717 nan 8.150 nan 0.000 0.508 221 I N 1.422 122.070 120.570 0.131 0.000 2.404 221 I HA 0.514 4.684 4.170 -0.000 0.000 0.293 221 I C 0.359 176.567 176.117 0.152 0.000 0.992 221 I CA -0.805 60.560 61.300 0.109 0.000 1.149 221 I CB 1.152 39.154 38.000 0.005 0.000 1.315 221 I HN 0.634 nan 8.210 nan 0.000 0.446 222 C N 3.091 122.505 119.300 0.189 0.000 2.534 222 C HA 0.376 4.836 4.460 -0.000 0.000 0.385 222 C C 1.618 176.749 174.990 0.235 0.000 1.264 222 C CA -0.338 58.807 59.018 0.211 0.000 2.342 222 C CB 0.521 28.329 27.740 0.113 0.000 2.564 222 C HN 0.843 nan 8.230 nan 0.000 0.603 223 H N 0.303 119.507 119.070 0.224 0.000 2.343 223 H HA 0.079 4.635 4.556 -0.000 0.000 0.303 223 H C 1.270 176.709 175.328 0.185 0.000 1.068 223 H CA 1.414 57.558 56.048 0.161 0.000 1.359 223 H CB -0.051 29.757 29.762 0.077 0.000 1.402 223 H HN 0.670 nan 8.280 nan 0.000 0.515 224 R N 1.649 122.314 120.500 0.275 0.000 2.522 224 R HA 0.033 4.373 4.340 -0.000 0.000 0.284 224 R C -0.132 176.309 176.300 0.236 0.000 1.032 224 R CA 0.088 56.312 56.100 0.206 0.000 1.049 224 R CB 0.518 30.918 30.300 0.167 0.000 0.956 224 R HN 0.116 nan 8.270 nan 0.000 0.422 225 R N 1.586 122.227 120.500 0.234 0.000 2.549 225 R HA 0.288 4.628 4.340 -0.000 0.000 0.267 225 R C 0.421 176.843 176.300 0.203 0.000 1.045 225 R CA 0.603 56.889 56.100 0.311 0.000 1.115 225 R CB 1.338 31.775 30.300 0.229 0.000 1.121 225 R HN 0.924 nan 8.270 nan 0.000 0.543 226 G N 1.331 110.274 108.800 0.239 0.000 2.179 226 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 226 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 226 G C -0.031 174.926 174.900 0.096 0.000 1.010 226 G CA 0.120 45.321 45.100 0.168 0.000 0.736 226 G HN 0.443 nan 8.290 nan 0.000 0.513 227 I N 0.316 120.881 120.570 -0.009 0.000 2.291 227 I HA 0.258 4.428 4.170 -0.000 0.000 0.292 227 I C 1.766 177.853 176.117 -0.050 0.000 1.064 227 I CA -0.817 60.440 61.300 -0.072 0.000 1.269 227 I CB 0.800 38.686 38.000 -0.190 0.000 1.418 227 I HN 0.044 nan 8.210 nan 0.000 0.485 228 R N 3.333 123.870 120.500 0.062 0.000 2.073 228 R HA 0.008 4.347 4.340 -0.000 0.000 0.229 228 R C 0.636 177.062 176.300 0.209 0.000 1.120 228 R CA 1.038 57.258 56.100 0.200 0.000 0.967 228 R CB 0.068 30.521 30.300 0.256 0.000 0.862 228 R HN 0.831 nan 8.270 nan 0.000 0.436 229 S N -1.993 113.768 115.700 0.102 0.000 2.656 229 S HA 0.039 4.509 4.470 -0.000 0.000 0.265 229 S C 0.384 174.931 174.600 -0.088 0.000 1.132 229 S CA -0.830 57.413 58.200 0.071 0.000 0.819 229 S CB 0.448 63.816 63.200 0.281 0.000 1.119 229 S HN -0.020 nan 8.310 nan 0.000 0.476 230 L N 1.225 122.341 121.223 -0.179 0.000 2.151 230 L HA -0.131 4.208 4.340 -0.000 0.000 0.219 230 L C 2.527 179.134 176.870 -0.437 0.000 1.083 230 L CA 2.030 56.615 54.840 -0.425 0.000 0.782 230 L CB -0.879 40.830 42.059 -0.584 0.000 0.891 230 L HN 0.750 nan 8.230 nan 0.000 0.439 231 R N -0.551 119.730 120.500 -0.365 0.000 2.237 231 R HA -0.063 4.277 4.340 -0.000 0.000 0.219 231 R C 1.181 177.371 176.300 -0.182 0.000 1.080 231 R CA 0.983 56.839 56.100 -0.407 0.000 0.995 231 R CB -0.582 29.227 30.300 -0.818 0.000 0.875 231 R HN 0.485 nan 8.270 nan 0.000 0.462 232 D N 0.286 120.617 120.400 -0.116 0.000 2.339 232 D HA 0.079 4.719 4.640 -0.000 0.000 0.217 232 D C 0.202 176.459 176.300 -0.072 0.000 1.050 232 D CA 0.163 54.141 54.000 -0.037 0.000 0.856 232 D CB 0.242 41.035 40.800 -0.012 0.000 0.922 232 D HN 0.081 nan 8.370 nan 0.000 0.518 233 L N 0.941 122.081 121.223 -0.139 0.000 2.331 233 L HA 0.266 4.606 4.340 -0.000 0.000 0.278 233 L C 1.044 178.031 176.870 0.195 0.000 1.106 233 L CA -0.102 54.681 54.840 -0.093 0.000 0.824 233 L CB 1.127 43.046 42.059 -0.233 0.000 1.142 233 L HN -0.085 nan 8.230 nan 0.000 0.443 234 T N -0.710 114.109 114.554 0.441 0.000 2.831 234 T HA 0.453 4.803 4.350 -0.000 0.000 0.287 234 T C -2.307 172.505 174.700 0.187 0.000 1.070 234 T CA -1.866 60.386 62.100 0.254 0.000 1.010 234 T CB 1.930 70.895 68.868 0.162 0.000 1.264 234 T HN 0.168 nan 8.240 nan 0.000 0.532 235 P HA -0.076 nan 4.420 nan 0.000 0.218 235 P C 1.077 178.389 177.300 0.019 0.000 1.146 235 P CA 1.109 64.248 63.100 0.066 0.000 0.813 235 P CB -0.111 31.618 31.700 0.047 0.000 0.778 236 E N -1.569 118.598 120.200 -0.054 0.000 2.333 236 E HA -0.225 4.125 4.350 -0.000 0.000 0.200 236 E C 1.176 177.644 176.600 -0.220 0.000 1.010 236 E CA 1.017 57.321 56.400 -0.160 0.000 0.841 236 E CB -0.753 28.804 29.700 -0.238 0.000 0.757 236 E HN 0.589 nan 8.360 nan 0.000 0.508 237 H N -0.109 118.981 119.070 0.033 0.000 2.563 237 H HA 0.150 4.706 4.556 -0.000 0.000 0.264 237 H C 1.943 177.288 175.328 0.028 0.000 0.957 237 H CA -0.075 55.989 56.048 0.026 0.000 1.173 237 H CB 0.259 30.027 29.762 0.010 0.000 1.420 237 H HN 0.022 nan 8.280 nan 0.000 0.551 238 L N 0.900 122.188 121.223 0.110 0.000 2.021 238 L HA -0.172 4.168 4.340 -0.000 0.000 0.215 238 L C -0.555 176.368 176.870 0.087 0.000 1.074 238 L CA 1.477 56.370 54.840 0.088 0.000 0.760 238 L CB -0.981 41.119 42.059 0.068 0.000 0.889 238 L HN 0.303 nan 8.230 nan 0.000 0.433 239 P HA -0.176 nan 4.420 nan 0.000 0.218 239 P C 1.631 179.002 177.300 0.118 0.000 1.149 239 P CA 0.942 64.100 63.100 0.096 0.000 0.817 239 P CB 0.045 31.795 31.700 0.082 0.000 0.785 240 L N -0.689 120.610 121.223 0.125 0.000 2.017 240 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 240 L C 2.168 179.078 176.870 0.067 0.000 1.073 240 L CA 1.806 56.730 54.840 0.139 0.000 0.745 240 L CB -1.494 40.665 42.059 0.167 0.000 0.894 240 L HN -0.140 nan 8.230 nan 0.000 0.432 241 L N -0.735 120.514 121.223 0.044 0.000 1.970 241 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 241 L C 2.776 179.612 176.870 -0.056 0.000 1.071 241 L CA 1.846 56.671 54.840 -0.025 0.000 0.751 241 L CB -0.708 41.347 42.059 -0.006 0.000 0.889 241 L HN 0.228 nan 8.230 nan 0.000 0.432 242 R N -0.045 120.462 120.500 0.011 0.000 2.096 242 R HA -0.193 4.146 4.340 -0.000 0.000 0.240 242 R C 2.189 178.528 176.300 0.065 0.000 1.139 242 R CA 1.886 58.019 56.100 0.054 0.000 0.952 242 R CB -0.528 29.875 30.300 0.171 0.000 0.854 242 R HN 0.477 nan 8.270 nan 0.000 0.436 243 N N 0.354 119.121 118.700 0.111 0.000 2.007 243 N HA -0.197 4.542 4.740 -0.000 0.000 0.197 243 N C 1.920 177.480 175.510 0.083 0.000 1.050 243 N CA 1.709 54.876 53.050 0.195 0.000 0.856 243 N CB -0.166 38.497 38.487 0.294 0.000 1.050 243 N HN 0.095 nan 8.380 nan 0.000 0.423 244 I N 1.643 122.105 120.570 -0.180 0.000 2.113 244 I HA -0.334 3.836 4.170 -0.000 0.000 0.242 244 I C 2.536 178.536 176.117 -0.195 0.000 1.064 244 I CA 1.123 62.089 61.300 -0.556 0.000 1.320 244 I CB -0.419 37.258 38.000 -0.538 0.000 1.028 244 I HN 0.281 nan 8.210 nan 0.000 0.406 245 L N 0.064 121.172 121.223 -0.193 0.000 1.971 245 L HA -0.309 4.031 4.340 -0.000 0.000 0.215 245 L C 2.705 179.482 176.870 -0.154 0.000 1.072 245 L CA 2.192 56.892 54.840 -0.233 0.000 0.758 245 L CB -0.617 41.098 42.059 -0.573 0.000 0.889 245 L HN 0.385 nan 8.230 nan 0.000 0.433 246 H N -1.270 117.839 119.070 0.065 0.000 2.307 246 H HA -0.128 4.428 4.556 -0.000 0.000 0.303 246 H C 2.309 177.656 175.328 0.032 0.000 1.073 246 H CA 1.339 57.419 56.048 0.054 0.000 1.338 246 H CB 0.005 29.796 29.762 0.049 0.000 1.389 246 H HN 0.410 nan 8.280 nan 0.000 0.503 247 Q N 0.433 120.327 119.800 0.158 0.000 2.224 247 Q HA -0.054 4.286 4.340 -0.000 0.000 0.203 247 Q C 2.571 178.487 176.000 -0.141 0.000 0.970 247 Q CA 0.868 56.668 55.803 -0.005 0.000 0.865 247 Q CB -0.030 28.756 28.738 0.080 0.000 0.922 247 Q HN 0.534 nan 8.270 nan 0.000 0.445 248 G N 1.543 110.358 108.800 0.026 0.000 2.459 248 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.217 248 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.217 248 G C 1.325 176.176 174.900 -0.083 0.000 1.183 248 G CA 0.806 45.843 45.100 -0.105 0.000 0.776 248 G HN 0.290 nan 8.290 nan 0.000 0.552 249 Q N -0.225 119.624 119.800 0.081 0.000 2.020 249 Q HA -0.120 4.219 4.340 -0.000 0.000 0.202 249 Q C 2.454 178.465 176.000 0.018 0.000 0.982 249 Q CA 1.519 57.382 55.803 0.100 0.000 0.838 249 Q CB -0.218 28.607 28.738 0.144 0.000 0.899 249 Q HN 0.537 nan 8.270 nan 0.000 0.423 250 E N 0.995 121.182 120.200 -0.021 0.000 2.114 250 E HA -0.251 4.098 4.350 -0.000 0.000 0.199 250 E C 1.757 178.279 176.600 -0.130 0.000 1.008 250 E CA 1.735 58.091 56.400 -0.073 0.000 0.810 250 E CB -0.332 29.308 29.700 -0.100 0.000 0.739 250 E HN 0.360 nan 8.360 nan 0.000 0.456 251 A N -0.011 122.662 122.820 -0.244 0.000 1.933 251 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 251 A C 2.353 179.904 177.584 -0.055 0.000 1.175 251 A CA 1.626 53.535 52.037 -0.213 0.000 0.628 251 A CB -0.607 18.213 19.000 -0.300 0.000 0.814 251 A HN 0.378 nan 8.150 nan 0.000 0.444 252 I N -0.847 119.729 120.570 0.010 0.000 2.333 252 I HA -0.160 4.009 4.170 -0.000 0.000 0.246 252 I C 2.399 178.600 176.117 0.140 0.000 1.106 252 I CA 0.617 62.017 61.300 0.168 0.000 1.411 252 I CB -0.210 37.891 38.000 0.167 0.000 1.082 252 I HN 0.362 nan 8.210 nan 0.000 0.420 253 L N 0.400 121.659 121.223 0.059 0.000 1.978 253 L HA -0.329 4.011 4.340 -0.000 0.000 0.218 253 L C 2.714 179.588 176.870 0.006 0.000 1.075 253 L CA 1.733 56.590 54.840 0.029 0.000 0.767 253 L CB -0.340 41.724 42.059 0.008 0.000 0.890 253 L HN 0.344 nan 8.230 nan 0.000 0.434 254 Q N -0.858 118.926 119.800 -0.026 0.000 2.230 254 Q HA -0.210 4.129 4.340 -0.000 0.000 0.202 254 Q C 2.168 178.120 176.000 -0.081 0.000 0.963 254 Q CA 1.242 57.020 55.803 -0.042 0.000 0.866 254 Q CB -0.262 28.451 28.738 -0.042 0.000 0.931 254 Q HN 0.400 nan 8.270 nan 0.000 0.452 255 R N -0.248 120.163 120.500 -0.149 0.000 2.080 255 R HA -0.041 4.299 4.340 -0.000 0.000 0.222 255 R C 1.045 177.109 176.300 -0.395 0.000 1.107 255 R CA 1.370 57.248 56.100 -0.369 0.000 0.980 255 R CB -0.194 29.735 30.300 -0.620 0.000 0.879 255 R HN 0.251 nan 8.270 nan 0.000 0.439 256 Y N -0.651 119.675 120.300 0.044 0.000 2.426 256 Y HA 0.407 4.956 4.550 -0.000 0.000 0.249 256 Y C 0.025 175.939 175.900 0.024 0.000 1.103 256 Y CA -0.541 57.593 58.100 0.057 0.000 1.256 256 Y CB 0.866 39.381 38.460 0.092 0.000 1.208 256 Y HN -0.164 nan 8.280 nan 0.000 0.519 257 R N -0.087 120.482 120.500 0.116 0.000 3.624 257 R HA -0.163 4.177 4.340 -0.000 0.000 0.315 257 R C -0.608 175.689 176.300 -0.005 0.000 1.153 257 R CA 0.477 56.602 56.100 0.041 0.000 0.827 257 R CB -2.418 27.902 30.300 0.034 0.000 1.406 257 R HN 0.444 nan 8.270 nan 0.000 0.479 258 M N 1.129 120.738 119.600 0.015 0.000 2.114 258 M HA 0.304 4.783 4.480 -0.000 0.000 0.332 258 M C -0.003 176.255 176.300 -0.070 0.000 1.014 258 M CA -0.398 54.853 55.300 -0.082 0.000 0.956 258 M CB 1.015 33.615 32.600 0.001 0.000 1.551 258 M HN -0.042 nan 8.290 nan 0.000 0.427 259 K N 2.227 122.522 120.400 -0.176 0.000 2.180 259 K HA 0.216 4.536 4.320 -0.000 0.000 0.251 259 K C 1.127 177.770 176.600 0.071 0.000 1.014 259 K CA 0.177 56.442 56.287 -0.037 0.000 0.913 259 K CB 0.582 33.066 32.500 -0.027 0.000 1.008 259 K HN 0.946 nan 8.250 nan 0.000 0.490 260 G N 1.538 110.394 108.800 0.094 0.000 2.422 260 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 260 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 260 G C 0.970 175.945 174.900 0.126 0.000 1.146 260 G CA 1.011 46.179 45.100 0.114 0.000 0.769 260 G HN 0.838 nan 8.290 nan 0.000 0.547 261 D N -0.200 120.286 120.400 0.144 0.000 2.392 261 D HA -0.060 4.580 4.640 -0.000 0.000 0.228 261 D C 1.222 177.601 176.300 0.131 0.000 1.003 261 D CA 0.550 54.624 54.000 0.124 0.000 0.917 261 D CB -0.566 40.294 40.800 0.100 0.000 0.890 261 D HN 0.372 nan 8.370 nan 0.000 0.532 262 H N -0.922 118.164 119.070 0.027 0.000 2.549 262 H HA 0.452 5.008 4.556 -0.000 0.000 0.279 262 H C -0.263 175.076 175.328 0.018 0.000 1.018 262 H CA -0.180 55.882 56.048 0.023 0.000 1.175 262 H CB 0.282 30.062 29.762 0.030 0.000 1.485 262 H HN 0.074 nan 8.280 nan 0.000 0.543 263 L N 0.533 121.831 121.223 0.124 0.000 2.365 263 L HA 0.465 4.805 4.340 -0.000 0.000 0.273 263 L C -0.086 176.795 176.870 0.018 0.000 1.000 263 L CA -0.855 54.032 54.840 0.078 0.000 0.819 263 L CB 2.557 44.680 42.059 0.107 0.000 1.284 263 L HN 0.001 nan 8.230 nan 0.000 0.418 264 R N 2.532 123.035 120.500 0.004 0.000 2.295 264 R HA 0.668 5.007 4.340 -0.000 0.000 0.324 264 R C -1.696 174.619 176.300 0.024 0.000 0.968 264 R CA -0.443 55.658 56.100 0.002 0.000 0.837 264 R CB 1.454 31.741 30.300 -0.021 0.000 1.133 264 R HN 0.445 nan 8.270 nan 0.000 0.450 265 V N 6.603 126.482 119.914 -0.058 0.000 2.444 265 V HA 0.522 4.642 4.120 -0.000 0.000 0.294 265 V C -1.144 174.855 176.094 -0.158 0.000 1.022 265 V CA -0.694 61.381 62.300 -0.374 0.000 0.850 265 V CB 1.027 32.422 31.823 -0.714 0.000 0.992 265 V HN 0.852 nan 8.190 nan 0.000 0.426 266 Y N 3.097 123.170 120.300 -0.379 0.000 2.713 266 Y HA 0.849 5.399 4.550 -0.000 0.000 0.335 266 Y C -1.754 174.042 175.900 -0.174 0.000 1.222 266 Y CA -1.624 56.340 58.100 -0.225 0.000 1.061 266 Y CB 1.334 39.685 38.460 -0.181 0.000 1.314 266 Y HN 0.362 nan 8.280 nan 0.000 0.453 267 L N 1.686 122.917 121.223 0.014 0.000 2.334 267 L HA 0.492 4.832 4.340 -0.000 0.000 0.273 267 L C -0.477 176.465 176.870 0.120 0.000 1.013 267 L CA -0.621 54.202 54.840 -0.028 0.000 0.816 267 L CB 1.572 43.626 42.059 -0.008 0.000 1.278 267 L HN 0.731 nan 8.230 nan 0.000 0.431 268 H N 1.190 120.296 119.070 0.060 0.000 2.683 268 H HA 0.260 4.816 4.556 -0.000 0.000 0.339 268 H C -1.408 174.028 175.328 0.181 0.000 1.081 268 H CA -0.085 56.019 56.048 0.094 0.000 1.432 268 H CB 0.762 30.503 29.762 -0.036 0.000 1.462 268 H HN 0.440 nan 8.280 nan 0.000 0.557 269 Y N 3.031 123.472 120.300 0.234 0.000 2.354 269 Y HA 0.214 4.764 4.550 -0.000 0.000 0.330 269 Y C -1.568 174.367 175.900 0.057 0.000 1.011 269 Y CA -1.121 57.023 58.100 0.073 0.000 1.099 269 Y CB 0.722 39.203 38.460 0.037 0.000 1.179 269 Y HN 0.474 nan 8.280 nan 0.000 0.442 270 L N 8.993 129.842 121.223 -0.623 0.000 2.380 270 L HA 0.455 4.795 4.340 -0.000 0.000 0.273 270 L C -2.040 174.599 176.870 -0.386 0.000 1.138 270 L CA -2.029 52.284 54.840 -0.880 0.000 0.832 270 L CB 0.323 41.794 42.059 -0.980 0.000 1.124 270 L HN 0.506 nan 8.230 nan 0.000 0.454 271 P HA 0.154 nan 4.420 nan 0.000 0.274 271 P C -0.088 176.982 177.300 -0.384 0.000 1.246 271 P CA -0.322 62.640 63.100 -0.231 0.000 0.795 271 P CB 0.838 32.394 31.700 -0.240 0.000 1.006 272 S N -0.476 115.090 115.700 -0.222 0.000 2.395 272 S HA 0.003 4.473 4.470 -0.000 0.000 0.225 272 S C 0.266 174.530 174.600 -0.560 0.000 1.027 272 S CA 1.048 59.009 58.200 -0.398 0.000 0.965 272 S CB -0.543 62.380 63.200 -0.461 0.000 0.812 272 S HN 0.466 nan 8.310 nan 0.000 0.482 273 Y N 0.050 120.310 120.300 -0.066 0.000 2.331 273 Y HA 0.355 4.905 4.550 -0.000 0.000 0.338 273 Y C -0.447 175.394 175.900 -0.099 0.000 0.992 273 Y CA -0.994 57.140 58.100 0.057 0.000 1.121 273 Y CB 0.429 39.072 38.460 0.304 0.000 1.184 273 Y HN 0.070 nan 8.280 nan 0.000 0.469 274 Y N 2.190 122.621 120.300 0.218 0.000 3.007 274 Y HA 0.099 4.649 4.550 -0.000 0.000 0.390 274 Y C 0.110 176.108 175.900 0.164 0.000 1.065 274 Y CA -0.090 58.102 58.100 0.154 0.000 1.845 274 Y CB -0.576 37.947 38.460 0.106 0.000 1.828 274 Y HN 0.558 nan 8.280 nan 0.000 0.458 275 H N 0.076 119.216 119.070 0.117 0.000 2.906 275 H HA 0.243 4.799 4.556 -0.000 0.000 0.324 275 H C -0.426 174.918 175.328 0.026 0.000 0.973 275 H CA -0.847 55.229 56.048 0.045 0.000 1.321 275 H CB 0.592 30.312 29.762 -0.071 0.000 1.535 275 H HN 0.124 nan 8.280 nan 0.000 0.518 276 L N 4.559 125.647 121.223 -0.224 0.000 2.769 276 L HA -0.174 4.166 4.340 -0.000 0.000 0.293 276 L C -0.664 176.177 176.870 -0.048 0.000 1.224 276 L CA 1.537 56.290 54.840 -0.145 0.000 0.906 276 L CB -1.085 40.840 42.059 -0.224 0.000 1.193 276 L HN 1.039 nan 8.230 nan 0.000 0.488 277 N N 2.746 121.457 118.700 0.017 0.000 2.336 277 N HA 0.529 5.269 4.740 -0.000 0.000 0.290 277 N C -1.375 174.149 175.510 0.024 0.000 1.058 277 N CA -0.904 52.171 53.050 0.041 0.000 0.865 277 N CB 1.886 40.429 38.487 0.094 0.000 1.581 277 N HN 0.100 nan 8.380 nan 0.000 0.480 278 V N 1.746 121.652 119.914 -0.013 0.000 2.483 278 V HA 0.387 4.507 4.120 -0.000 0.000 0.295 278 V C -0.290 175.744 176.094 -0.101 0.000 1.035 278 V CA -0.604 61.670 62.300 -0.043 0.000 0.896 278 V CB 1.210 33.006 31.823 -0.044 0.000 0.986 278 V HN 0.748 nan 8.190 nan 0.000 0.447 279 H N 3.844 122.606 119.070 -0.514 0.000 2.459 279 H HA 0.453 5.009 4.556 -0.000 0.000 0.332 279 H C -1.457 173.437 175.328 -0.723 0.000 1.094 279 H CA -0.339 55.387 56.048 -0.537 0.000 1.224 279 H CB 1.716 30.871 29.762 -1.012 0.000 1.449 279 H HN 0.458 nan 8.280 nan 0.000 0.484 280 F N 1.989 121.785 119.950 -0.257 0.000 2.382 280 F HA 0.196 4.723 4.527 -0.000 0.000 0.361 280 F C 0.488 176.137 175.800 -0.252 0.000 1.109 280 F CA -0.642 57.245 58.000 -0.188 0.000 1.031 280 F CB 1.564 40.505 39.000 -0.098 0.000 1.234 280 F HN 0.362 nan 8.300 nan 0.000 0.445 281 T N -0.322 114.165 114.554 -0.111 0.000 2.924 281 T HA 0.827 5.176 4.350 -0.000 0.000 0.291 281 T C -0.107 174.585 174.700 -0.013 0.000 1.045 281 T CA -1.171 60.853 62.100 -0.127 0.000 1.015 281 T CB 1.805 70.583 68.868 -0.150 0.000 1.103 281 T HN 0.676 nan 8.240 nan 0.000 0.496 282 A N 2.085 124.902 122.820 -0.004 0.000 2.567 282 A HA 0.292 4.612 4.320 -0.000 0.000 0.240 282 A C 1.477 179.105 177.584 0.074 0.000 1.053 282 A CA -0.514 51.547 52.037 0.040 0.000 0.755 282 A CB -0.444 18.569 19.000 0.021 0.000 0.978 282 A HN 1.000 nan 8.150 nan 0.000 0.507 283 L N 3.697 124.943 121.223 0.039 0.000 2.089 283 L HA -0.136 4.204 4.340 -0.000 0.000 0.213 283 L C 2.259 179.131 176.870 0.003 0.000 1.079 283 L CA 2.806 57.642 54.840 -0.006 0.000 0.758 283 L CB -0.843 41.190 42.059 -0.044 0.000 0.891 283 L HN 0.795 nan 8.230 nan 0.000 0.433 284 G N -2.221 106.602 108.800 0.039 0.000 2.848 284 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.208 284 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.208 284 G C 0.447 175.429 174.900 0.137 0.000 1.152 284 G CA 0.004 45.138 45.100 0.056 0.000 0.789 284 G HN 0.373 nan 8.290 nan 0.000 0.531 285 F N 0.583 120.512 119.950 -0.035 0.000 2.375 285 F HA 0.459 4.985 4.527 -0.000 0.000 0.361 285 F C 0.206 175.989 175.800 -0.028 0.000 1.117 285 F CA -1.184 56.804 58.000 -0.021 0.000 1.037 285 F CB 1.310 40.289 39.000 -0.036 0.000 1.192 285 F HN -0.052 nan 8.300 nan 0.000 0.452 286 E N 5.669 125.727 120.200 -0.238 0.000 1.999 286 E HA 0.234 4.584 4.350 -0.000 0.000 0.296 286 E C -0.083 176.134 176.600 -0.639 0.000 1.187 286 E CA -0.465 55.735 56.400 -0.333 0.000 1.229 286 E CB 0.252 29.864 29.700 -0.147 0.000 1.131 286 E HN 0.689 nan 8.360 nan 0.000 0.478 287 A N 4.192 126.445 122.820 -0.946 0.000 2.511 287 A HA 0.190 4.509 4.320 -0.000 0.000 0.242 287 A C -2.194 175.185 177.584 -0.342 0.000 1.069 287 A CA -1.137 50.306 52.037 -0.991 0.000 0.763 287 A CB 0.014 18.606 19.000 -0.680 0.000 1.001 287 A HN 0.318 nan 8.150 nan 0.000 0.498 288 P HA 0.224 nan 4.420 nan 0.000 0.264 288 P C 1.029 178.345 177.300 0.027 0.000 1.183 288 P CA 1.900 64.981 63.100 -0.032 0.000 0.763 288 P CB 0.554 32.283 31.700 0.048 0.000 0.807 289 G N 2.108 110.889 108.800 -0.031 0.000 2.157 289 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 289 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 289 G C 0.680 175.596 174.900 0.027 0.000 0.979 289 G CA 0.395 45.469 45.100 -0.043 0.000 0.650 289 G HN 0.616 nan 8.290 nan 0.000 0.529 290 S N -0.219 115.409 115.700 -0.119 0.000 2.597 290 S HA 0.563 5.033 4.470 -0.000 0.000 0.224 290 S C 1.281 175.688 174.600 -0.321 0.000 0.955 290 S CA 0.619 58.594 58.200 -0.375 0.000 0.933 290 S CB 0.774 63.686 63.200 -0.481 0.000 0.788 290 S HN 1.505 nan 8.310 nan 0.000 0.488 291 G N 0.716 109.399 108.800 -0.196 0.000 2.527 291 G HA2 0.353 4.312 3.960 -0.000 0.000 0.248 291 G HA3 0.353 4.312 3.960 -0.000 0.000 0.248 291 G C 0.847 175.647 174.900 -0.167 0.000 1.231 291 G CA -0.348 44.655 45.100 -0.162 0.000 0.838 291 G HN 0.233 nan 8.290 nan 0.000 0.570 292 V N 0.883 120.706 119.914 -0.151 0.000 2.546 292 V HA -0.141 3.979 4.120 -0.000 0.000 0.254 292 V C 2.621 178.643 176.094 -0.120 0.000 1.076 292 V CA 2.617 64.826 62.300 -0.151 0.000 1.087 292 V CB -0.320 31.434 31.823 -0.115 0.000 0.674 292 V HN 0.906 nan 8.190 nan 0.000 0.470 293 E N -0.324 119.835 120.200 -0.067 0.000 2.482 293 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 293 E C 2.036 178.665 176.600 0.048 0.000 1.047 293 E CA 0.887 57.284 56.400 -0.006 0.000 0.869 293 E CB -0.048 29.650 29.700 -0.004 0.000 0.836 293 E HN 0.627 nan 8.360 nan 0.000 0.520 294 R N -0.191 120.306 120.500 -0.005 0.000 2.470 294 R HA 0.313 4.653 4.340 -0.000 0.000 0.210 294 R C 0.108 176.477 176.300 0.115 0.000 0.873 294 R CA 0.637 56.776 56.100 0.066 0.000 1.015 294 R CB 0.978 31.261 30.300 -0.029 0.000 1.348 294 R HN 0.096 nan 8.270 nan 0.000 0.650 295 A N 1.040 123.820 122.820 -0.068 0.000 2.306 295 A HA 0.481 4.801 4.320 -0.000 0.000 0.314 295 A C -1.208 176.204 177.584 -0.287 0.000 1.164 295 A CA -0.338 51.681 52.037 -0.030 0.000 0.822 295 A CB 0.495 19.292 19.000 -0.338 0.000 1.130 295 A HN 0.314 nan 8.150 nan 0.000 0.496 296 H N 2.492 121.622 119.070 0.100 0.000 2.727 296 H HA 0.258 4.814 4.556 -0.000 0.000 0.330 296 H C -0.764 174.586 175.328 0.037 0.000 0.986 296 H CA -0.420 55.660 56.048 0.053 0.000 1.251 296 H CB 1.327 31.115 29.762 0.044 0.000 1.493 296 H HN 0.565 nan 8.280 nan 0.000 0.515 297 L N 4.273 125.533 121.223 0.061 0.000 2.559 297 L HA -0.111 4.229 4.340 -0.000 0.000 0.274 297 L C 2.075 178.951 176.870 0.009 0.000 1.205 297 L CA 0.143 54.998 54.840 0.024 0.000 0.907 297 L CB 0.746 42.794 42.059 -0.018 0.000 1.153 297 L HN 0.579 nan 8.230 nan 0.000 0.490 298 L N 3.564 124.760 121.223 -0.045 0.000 2.034 298 L HA -0.328 4.012 4.340 -0.000 0.000 0.217 298 L C 2.477 179.305 176.870 -0.070 0.000 1.077 298 L CA 2.128 56.910 54.840 -0.096 0.000 0.769 298 L CB -0.144 41.803 42.059 -0.188 0.000 0.890 298 L HN 0.927 nan 8.230 nan 0.000 0.435 299 A N -0.610 122.172 122.820 -0.063 0.000 1.972 299 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 299 A C 1.929 179.509 177.584 -0.007 0.000 1.169 299 A CA 1.700 53.717 52.037 -0.033 0.000 0.635 299 A CB -0.377 18.613 19.000 -0.017 0.000 0.810 299 A HN 0.661 nan 8.150 nan 0.000 0.446 300 E N -0.399 119.801 120.200 0.001 0.000 2.299 300 E HA -0.004 4.346 4.350 -0.000 0.000 0.193 300 E C 1.804 178.425 176.600 0.034 0.000 0.998 300 E CA 0.677 57.083 56.400 0.011 0.000 0.851 300 E CB -0.174 29.536 29.700 0.016 0.000 0.795 300 E HN 0.394 nan 8.360 nan 0.000 0.492 301 V N 1.918 121.863 119.914 0.052 0.000 2.237 301 V HA -0.283 3.837 4.120 -0.000 0.000 0.245 301 V C 2.318 178.460 176.094 0.081 0.000 1.046 301 V CA 1.653 64.009 62.300 0.093 0.000 1.007 301 V CB -0.468 31.323 31.823 -0.054 0.000 0.638 301 V HN 0.200 nan 8.190 nan 0.000 0.445 302 I N 0.065 120.650 120.570 0.025 0.000 2.103 302 I HA -0.388 3.782 4.170 -0.000 0.000 0.241 302 I C 2.538 178.673 176.117 0.031 0.000 1.036 302 I CA 2.294 63.612 61.300 0.032 0.000 1.300 302 I CB -0.488 37.523 38.000 0.020 0.000 1.010 302 I HN 0.375 nan 8.210 nan 0.000 0.406 303 E N 0.137 120.344 120.200 0.012 0.000 2.268 303 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 303 E C 1.858 178.434 176.600 -0.041 0.000 0.995 303 E CA 0.582 56.979 56.400 -0.005 0.000 0.836 303 E CB -0.095 29.599 29.700 -0.009 0.000 0.763 303 E HN 0.435 nan 8.360 nan 0.000 0.491 304 N N 0.641 119.297 118.700 -0.073 0.000 2.142 304 N HA -0.097 4.643 4.740 -0.000 0.000 0.186 304 N C 1.853 177.282 175.510 -0.134 0.000 1.023 304 N CA 0.736 53.648 53.050 -0.230 0.000 0.852 304 N CB -0.094 38.133 38.487 -0.434 0.000 0.998 304 N HN 0.170 nan 8.380 nan 0.000 0.424 305 L N 1.442 122.670 121.223 0.009 0.000 2.012 305 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 305 L C 2.065 178.952 176.870 0.028 0.000 1.073 305 L CA 1.346 56.222 54.840 0.061 0.000 0.748 305 L CB -0.449 41.675 42.059 0.108 0.000 0.891 305 L HN 0.197 nan 8.230 nan 0.000 0.431 306 E N -0.891 119.320 120.200 0.018 0.000 2.160 306 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 306 E C 1.909 178.511 176.600 0.003 0.000 0.991 306 E CA 1.557 57.965 56.400 0.015 0.000 0.810 306 E CB -0.091 29.618 29.700 0.015 0.000 0.742 306 E HN 0.599 nan 8.360 nan 0.000 0.466 307 C N -0.225 119.067 119.300 -0.014 0.000 3.228 307 C HA 0.199 4.659 4.460 -0.000 0.000 0.290 307 C C 0.525 175.512 174.990 -0.005 0.000 1.301 307 C CA -0.677 58.334 59.018 -0.012 0.000 1.703 307 C CB 0.043 27.771 27.740 -0.021 0.000 2.141 307 C HN 0.205 nan 8.230 nan 0.000 0.656 308 D N 0.447 120.845 120.400 -0.004 0.000 2.668 308 D HA 0.184 4.824 4.640 -0.000 0.000 0.247 308 D C -1.790 174.528 176.300 0.030 0.000 1.268 308 D CA -1.110 52.903 54.000 0.022 0.000 0.842 308 D CB 0.899 41.743 40.800 0.073 0.000 1.399 308 D HN -0.032 nan 8.370 nan 0.000 0.530 309 P HA -0.145 nan 4.420 nan 0.000 0.216 309 P C 1.033 178.369 177.300 0.060 0.000 1.150 309 P CA 0.914 64.041 63.100 0.045 0.000 0.843 309 P CB 0.331 32.052 31.700 0.035 0.000 0.787 310 R N -2.475 118.048 120.500 0.038 0.000 2.297 310 R HA 0.008 4.348 4.340 -0.000 0.000 0.197 310 R C 2.021 178.318 176.300 -0.005 0.000 0.943 310 R CA 0.004 56.123 56.100 0.031 0.000 1.038 310 R CB -0.919 29.388 30.300 0.013 0.000 0.957 310 R HN 0.253 nan 8.270 nan 0.000 0.484 311 H N 0.939 119.911 119.070 -0.163 0.000 2.121 311 H HA -0.312 4.244 4.556 -0.000 0.000 0.237 311 H C 1.011 176.095 175.328 -0.407 0.000 1.154 311 H CA 2.707 58.528 56.048 -0.379 0.000 1.387 311 H CB -0.490 28.855 29.762 -0.694 0.000 1.669 311 H HN 0.294 nan 8.280 nan 0.000 0.672 312 Y N -0.839 119.477 120.300 0.026 0.000 2.632 312 Y HA -0.076 4.474 4.550 -0.000 0.000 0.301 312 Y C 2.104 177.910 175.900 -0.156 0.000 1.172 312 Y CA 0.493 58.535 58.100 -0.097 0.000 1.328 312 Y CB 0.264 38.670 38.460 -0.091 0.000 1.016 312 Y HN 0.366 nan 8.280 nan 0.000 0.529 313 Q N -1.315 118.486 119.800 0.002 0.000 2.402 313 Q HA 0.022 4.361 4.340 -0.000 0.000 0.231 313 Q C 1.721 177.706 176.000 -0.024 0.000 0.888 313 Q CA 0.448 56.251 55.803 0.000 0.000 0.938 313 Q CB 0.398 29.164 28.738 0.046 0.000 1.086 313 Q HN 0.411 nan 8.270 nan 0.000 0.543 314 Q N -0.688 119.061 119.800 -0.085 0.000 2.324 314 Q HA 0.146 4.486 4.340 -0.000 0.000 0.207 314 Q C 0.094 176.012 176.000 -0.137 0.000 0.928 314 Q CA 0.223 55.972 55.803 -0.090 0.000 0.890 314 Q CB 0.662 29.337 28.738 -0.104 0.000 1.001 314 Q HN -0.008 nan 8.270 nan 0.000 0.517 315 R N 0.942 121.282 120.500 -0.267 0.000 2.615 315 R HA 0.205 4.545 4.340 -0.000 0.000 0.270 315 R C -0.368 175.847 176.300 -0.142 0.000 1.081 315 R CA 0.167 56.093 56.100 -0.289 0.000 1.154 315 R CB 0.474 30.408 30.300 -0.610 0.000 1.063 315 R HN 0.022 nan 8.270 nan 0.000 0.519 316 T N 3.557 118.059 114.554 -0.087 0.000 2.794 316 T HA 0.347 4.697 4.350 -0.000 0.000 0.296 316 T C 0.365 175.074 174.700 0.015 0.000 0.949 316 T CA -0.282 61.810 62.100 -0.014 0.000 1.101 316 T CB 0.313 69.173 68.868 -0.013 0.000 0.905 316 T HN 0.180 nan 8.240 nan 0.000 0.516 317 L N 2.871 124.140 121.223 0.077 0.000 2.331 317 L HA 0.527 4.867 4.340 -0.000 0.000 0.275 317 L C 0.569 177.553 176.870 0.189 0.000 1.022 317 L CA -0.899 54.040 54.840 0.165 0.000 0.812 317 L CB 1.641 43.798 42.059 0.163 0.000 1.257 317 L HN 0.493 nan 8.230 nan 0.000 0.435 318 T N 2.640 117.321 114.554 0.212 0.000 2.794 318 T HA 0.721 5.070 4.350 -0.000 0.000 0.280 318 T C -0.690 174.116 174.700 0.177 0.000 0.987 318 T CA -0.232 61.894 62.100 0.044 0.000 0.993 318 T CB 0.806 69.698 68.868 0.040 0.000 0.939 318 T HN 0.413 nan 8.240 nan 0.000 0.449 319 F N 0.076 120.102 119.950 0.127 0.000 2.831 319 F HA 0.886 5.413 4.527 -0.000 0.000 0.318 319 F C -1.076 174.734 175.800 0.018 0.000 1.174 319 F CA -1.952 56.094 58.000 0.077 0.000 0.918 319 F CB 0.666 39.695 39.000 0.048 0.000 1.364 319 F HN 0.587 nan 8.300 nan 0.000 0.475 320 A N 1.359 124.367 122.820 0.313 0.000 2.350 320 A HA 0.873 5.193 4.320 -0.000 0.000 0.324 320 A C -1.485 176.224 177.584 0.207 0.000 1.118 320 A CA -0.794 51.339 52.037 0.161 0.000 0.783 320 A CB 1.190 20.231 19.000 0.069 0.000 1.236 320 A HN 0.790 nan 8.150 nan 0.000 0.457 321 L N 1.587 122.894 121.223 0.140 0.000 2.341 321 L HA 0.521 4.860 4.340 -0.000 0.000 0.267 321 L C 0.242 177.135 176.870 0.039 0.000 1.009 321 L CA -0.942 53.958 54.840 0.099 0.000 0.819 321 L CB 1.964 44.098 42.059 0.125 0.000 1.323 321 L HN 0.824 nan 8.230 nan 0.000 0.425 322 R N 0.808 121.318 120.500 0.016 0.000 2.640 322 R HA 0.056 4.396 4.340 -0.000 0.000 0.270 322 R C 1.077 177.382 176.300 0.007 0.000 1.024 322 R CA 0.339 56.442 56.100 0.005 0.000 1.085 322 R CB 0.491 30.788 30.300 -0.005 0.000 0.963 322 R HN 0.840 nan 8.270 nan 0.000 0.426 323 A N 2.681 125.505 122.820 0.005 0.000 2.032 323 A HA -0.208 4.112 4.320 -0.000 0.000 0.221 323 A C 1.141 178.727 177.584 0.003 0.000 1.165 323 A CA 2.006 54.046 52.037 0.005 0.000 0.645 323 A CB -0.304 18.699 19.000 0.005 0.000 0.807 323 A HN 0.868 nan 8.150 nan 0.000 0.453 324 D N -1.226 119.176 120.400 0.003 0.000 2.402 324 D HA 0.073 4.713 4.640 -0.000 0.000 0.216 324 D C -0.288 176.015 176.300 0.003 0.000 1.128 324 D CA -0.360 53.642 54.000 0.004 0.000 0.833 324 D CB -0.336 40.467 40.800 0.006 0.000 0.971 324 D HN 0.205 nan 8.370 nan 0.000 0.503 325 D N 2.049 122.449 120.400 -0.000 0.000 2.343 325 D HA 0.062 4.702 4.640 -0.000 0.000 0.255 325 D C -1.202 175.083 176.300 -0.024 0.000 1.187 325 D CA -1.822 52.175 54.000 -0.005 0.000 0.875 325 D CB 2.043 42.839 40.800 -0.006 0.000 1.136 325 D HN -0.070 nan 8.370 nan 0.000 0.469 326 P HA -0.165 nan 4.420 nan 0.000 0.218 326 P C 1.716 178.927 177.300 -0.147 0.000 1.149 326 P CA 0.267 63.346 63.100 -0.035 0.000 0.817 326 P CB 0.367 32.093 31.700 0.044 0.000 0.785 327 L N -0.374 120.663 121.223 -0.310 0.000 2.081 327 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 327 L C 2.362 179.151 176.870 -0.135 0.000 1.080 327 L CA 1.582 56.184 54.840 -0.398 0.000 0.754 327 L CB -1.726 40.085 42.059 -0.414 0.000 0.893 327 L HN -0.137 nan 8.230 nan 0.000 0.433 328 L N -0.214 120.972 121.223 -0.062 0.000 1.989 328 L HA -0.235 4.105 4.340 -0.000 0.000 0.211 328 L C 2.594 179.452 176.870 -0.021 0.000 1.071 328 L CA 2.194 57.028 54.840 -0.010 0.000 0.749 328 L CB -0.966 41.094 42.059 0.003 0.000 0.890 328 L HN 0.278 nan 8.230 nan 0.000 0.431 329 K N -0.315 120.067 120.400 -0.029 0.000 2.044 329 K HA -0.169 4.151 4.320 -0.000 0.000 0.210 329 K C 2.042 178.628 176.600 -0.023 0.000 1.049 329 K CA 1.939 58.214 56.287 -0.021 0.000 0.927 329 K CB -0.721 31.770 32.500 -0.015 0.000 0.713 329 K HN 0.434 nan 8.250 nan 0.000 0.443 330 L N -0.004 121.195 121.223 -0.041 0.000 2.013 330 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 330 L C 2.407 179.267 176.870 -0.016 0.000 1.073 330 L CA 1.466 56.286 54.840 -0.033 0.000 0.753 330 L CB -0.528 41.494 42.059 -0.062 0.000 0.890 330 L HN 0.166 nan 8.230 nan 0.000 0.432 331 L N -1.071 120.145 121.223 -0.011 0.000 2.056 331 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 331 L C 2.725 179.595 176.870 -0.001 0.000 1.078 331 L CA 1.150 55.996 54.840 0.010 0.000 0.749 331 L CB -0.442 41.639 42.059 0.036 0.000 0.901 331 L HN 0.301 nan 8.230 nan 0.000 0.433 332 Q N -0.245 119.550 119.800 -0.008 0.000 2.084 332 Q HA -0.248 4.092 4.340 -0.000 0.000 0.202 332 Q C 2.133 178.129 176.000 -0.008 0.000 0.978 332 Q CA 1.570 57.366 55.803 -0.011 0.000 0.844 332 Q CB -0.065 28.666 28.738 -0.012 0.000 0.898 332 Q HN 0.476 nan 8.270 nan 0.000 0.426 333 E N 0.367 120.563 120.200 -0.006 0.000 2.051 333 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 333 E C 1.947 178.546 176.600 -0.001 0.000 0.991 333 E CA 1.019 57.417 56.400 -0.004 0.000 0.799 333 E CB -0.110 29.588 29.700 -0.003 0.000 0.748 333 E HN 0.372 nan 8.360 nan 0.000 0.449 334 A N 0.657 123.477 122.820 0.001 0.000 1.978 334 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 334 A C 1.868 179.454 177.584 0.004 0.000 1.170 334 A CA 1.596 53.636 52.037 0.005 0.000 0.636 334 A CB -0.359 18.647 19.000 0.010 0.000 0.810 334 A HN 0.267 nan 8.150 nan 0.000 0.448 335 Q N -0.546 119.254 119.800 0.000 0.000 2.408 335 Q HA 0.022 4.362 4.340 -0.000 0.000 0.205 335 Q C 1.221 177.217 176.000 -0.005 0.000 0.919 335 Q CA 0.072 55.874 55.803 -0.003 0.000 0.932 335 Q CB 0.021 28.754 28.738 -0.007 0.000 1.058 335 Q HN 0.833 nan 8.270 nan 0.000 0.517 336 Q N 0.000 119.797 119.800 -0.005 0.000 2.315 336 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 336 Q CA 0.000 55.800 55.803 -0.006 0.000 1.022 336 Q CB 0.000 28.735 28.738 -0.006 0.000 1.108 336 Q HN 0.000 nan 8.270 nan 0.000 0.481