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 1szp_1_A DATA FIRST_RESID 80 DATA SEQUENCE MVPIEKLQVN GITMADVKKL RESGLHTAEA VAYAPRKDLL EIKGISEAKA DATA SEQUENCE DKLLNEAARL VPMGFVTAAD FHMRRSELIC LTTGSKNLDT LLGGGVETGS DATA SEQUENCE ITELFGEFRT GKSQLCHTLA VTCQIPLDIG GGEGKCLYID TEGTFRPVRL DATA SEQUENCE VSIAQRFGLD PDDALNNVAY ARAYNADHQL RLLDAAAQMM SESRFSLIVV DATA SEQUENCE DSVMALYRTD XXXXXELSAR QMHLAKFMRA LQRLADQFGV AVVVTNQVVX DATA SEQUENCE XXXXXXXXXX XXXXXTGGNI MAHSSTTRLG FKKGKGCQRL CKVVDSPCLP DATA SEQUENCE EAECVFAIYE DGVGDP 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 80 M HA 0.000 nan 4.480 nan 0.000 0.227 80 M C 0.000 176.337 176.300 0.061 0.000 1.140 80 M CA 0.000 55.350 55.300 0.083 0.000 0.988 80 M CB 0.000 32.699 32.600 0.165 0.000 1.302 81 V N 0.910 120.839 119.914 0.025 0.000 2.350 81 V HA 0.650 4.771 4.120 0.001 0.000 0.285 81 V C -2.442 173.671 176.094 0.032 0.000 1.014 81 V CA -1.400 60.912 62.300 0.019 0.000 0.831 81 V CB 1.359 33.175 31.823 -0.013 0.000 1.000 81 V HN 0.752 nan 8.190 nan 0.000 0.433 82 P HA 0.276 nan 4.420 nan 0.000 0.269 82 P C 1.200 178.525 177.300 0.042 0.000 1.209 82 P CA -0.105 63.035 63.100 0.067 0.000 0.776 82 P CB 0.932 32.673 31.700 0.067 0.000 0.876 83 I N 1.424 122.024 120.570 0.050 0.000 2.361 83 I HA -0.261 3.910 4.170 0.001 0.000 0.251 83 I C 1.756 177.886 176.117 0.021 0.000 1.133 83 I CA 1.503 62.820 61.300 0.028 0.000 1.413 83 I CB -0.532 37.490 38.000 0.036 0.000 1.073 83 I HN 0.534 nan 8.210 nan 0.000 0.424 84 E N 1.188 121.406 120.200 0.031 0.000 2.279 84 E HA -0.324 4.027 4.350 0.001 0.000 0.205 84 E C 2.318 178.926 176.600 0.013 0.000 1.028 84 E CA 1.861 58.275 56.400 0.023 0.000 0.830 84 E CB -0.417 29.299 29.700 0.027 0.000 0.736 84 E HN 0.609 nan 8.360 nan 0.000 0.478 85 K N 1.229 121.635 120.400 0.011 0.000 2.365 85 K HA 0.010 4.330 4.320 0.001 0.000 0.199 85 K C 1.812 178.410 176.600 -0.004 0.000 1.045 85 K CA 0.899 57.188 56.287 0.003 0.000 0.962 85 K CB -0.692 31.809 32.500 0.002 0.000 0.759 85 K HN 0.131 nan 8.250 nan 0.000 0.469 86 L N 0.567 121.786 121.223 -0.006 0.000 2.599 86 L HA 0.047 4.388 4.340 0.001 0.000 0.230 86 L C 0.844 177.709 176.870 -0.008 0.000 1.141 86 L CA 0.070 54.903 54.840 -0.012 0.000 0.877 86 L CB -0.119 41.929 42.059 -0.018 0.000 1.009 86 L HN 0.433 nan 8.230 nan 0.000 0.447 87 Q N 1.122 120.920 119.800 -0.003 0.000 2.534 87 Q HA 0.317 4.658 4.340 0.001 0.000 0.223 87 Q C -0.755 175.244 176.000 -0.002 0.000 1.239 87 Q CA 0.038 55.840 55.803 -0.001 0.000 0.936 87 Q CB 0.933 29.673 28.738 0.003 0.000 1.457 87 Q HN 0.086 nan 8.270 nan 0.000 0.547 88 V N 2.064 121.976 119.914 -0.004 0.000 3.204 88 V HA 0.204 4.325 4.120 0.001 0.000 0.298 88 V C -0.276 175.815 176.094 -0.005 0.000 1.328 88 V CA -0.489 61.809 62.300 -0.004 0.000 1.035 88 V CB 2.178 33.998 31.823 -0.005 0.000 1.095 88 V HN 0.949 nan 8.190 nan 0.000 0.442 89 N N 2.200 120.897 118.700 -0.004 0.000 2.678 89 N HA -0.227 4.514 4.740 0.001 0.000 0.249 89 N C 0.846 176.353 175.510 -0.005 0.000 1.119 89 N CA 1.661 54.709 53.050 -0.005 0.000 0.718 89 N CB -0.763 37.721 38.487 -0.006 0.000 1.060 89 N HN 1.736 nan 8.380 nan 0.000 0.552 90 G N -1.536 107.261 108.800 -0.005 0.000 2.705 90 G HA2 -0.166 3.794 3.960 0.001 0.000 0.193 90 G HA3 -0.166 3.794 3.960 0.001 0.000 0.193 90 G C 0.028 174.925 174.900 -0.005 0.000 1.015 90 G CA -0.065 45.032 45.100 -0.005 0.000 0.743 90 G HN 0.254 nan 8.290 nan 0.000 0.476 91 I N 3.583 124.149 120.570 -0.006 0.000 2.452 91 I HA 0.432 4.603 4.170 0.001 0.000 0.287 91 I C 1.098 177.213 176.117 -0.004 0.000 1.079 91 I CA 0.391 61.687 61.300 -0.006 0.000 1.387 91 I CB 1.336 39.331 38.000 -0.009 0.000 1.404 91 I HN 0.288 nan 8.210 nan 0.000 0.522 92 T N 2.836 117.388 114.554 -0.003 0.000 2.907 92 T HA 0.278 4.629 4.350 0.001 0.000 0.284 92 T C 0.966 175.667 174.700 0.001 0.000 1.004 92 T CA -0.870 61.230 62.100 -0.000 0.000 1.063 92 T CB 1.378 70.246 68.868 -0.000 0.000 0.992 92 T HN 0.692 nan 8.240 nan 0.000 0.483 93 M N 1.326 120.929 119.600 0.004 0.000 2.346 93 M HA -0.066 4.415 4.480 0.001 0.000 0.263 93 M C 1.999 178.303 176.300 0.007 0.000 1.064 93 M CA 1.714 57.018 55.300 0.007 0.000 1.083 93 M CB -0.600 32.006 32.600 0.010 0.000 1.399 93 M HN 0.909 nan 8.290 nan 0.000 0.435 94 A N -0.041 122.782 122.820 0.004 0.000 1.975 94 A HA -0.097 4.223 4.320 0.001 0.000 0.215 94 A C 1.605 179.189 177.584 -0.000 0.000 1.170 94 A CA 1.367 53.406 52.037 0.003 0.000 0.656 94 A CB -0.437 18.564 19.000 0.003 0.000 0.821 94 A HN 0.498 nan 8.150 nan 0.000 0.449 95 D N -0.038 120.360 120.400 -0.002 0.000 2.084 95 D HA -0.106 4.534 4.640 0.001 0.000 0.196 95 D C 2.119 178.414 176.300 -0.008 0.000 0.985 95 D CA 1.436 55.432 54.000 -0.006 0.000 0.826 95 D CB -0.514 40.282 40.800 -0.008 0.000 0.978 95 D HN 0.163 nan 8.370 nan 0.000 0.456 96 V N 1.560 121.471 119.914 -0.005 0.000 2.255 96 V HA -0.263 3.858 4.120 0.001 0.000 0.247 96 V C 2.568 178.659 176.094 -0.005 0.000 1.051 96 V CA 1.896 64.193 62.300 -0.006 0.000 1.018 96 V CB -0.478 31.346 31.823 0.002 0.000 0.641 96 V HN 0.220 nan 8.190 nan 0.000 0.445 97 K N 0.260 120.663 120.400 0.004 0.000 2.127 97 K HA -0.301 4.020 4.320 0.001 0.000 0.208 97 K C 2.083 178.681 176.600 -0.003 0.000 1.047 97 K CA 2.084 58.377 56.287 0.009 0.000 0.927 97 K CB -0.250 32.258 32.500 0.013 0.000 0.716 97 K HN 0.414 nan 8.250 nan 0.000 0.450 98 K N 0.392 120.787 120.400 -0.008 0.000 2.280 98 K HA -0.089 4.232 4.320 0.001 0.000 0.202 98 K C 1.991 178.573 176.600 -0.029 0.000 1.047 98 K CA 1.101 57.379 56.287 -0.014 0.000 0.942 98 K CB -0.006 32.487 32.500 -0.012 0.000 0.739 98 K HN 0.255 nan 8.250 nan 0.000 0.457 99 L N -0.225 120.974 121.223 -0.039 0.000 2.168 99 L HA -0.039 4.302 4.340 0.001 0.000 0.203 99 L C 2.293 179.094 176.870 -0.115 0.000 1.078 99 L CA 0.711 55.510 54.840 -0.068 0.000 0.780 99 L CB -0.314 41.706 42.059 -0.065 0.000 0.939 99 L HN 0.087 nan 8.230 nan 0.000 0.451 100 R N 0.853 121.296 120.500 -0.096 0.000 2.096 100 R HA -0.184 4.157 4.340 0.001 0.000 0.229 100 R C 1.998 178.225 176.300 -0.121 0.000 1.134 100 R CA 1.735 57.748 56.100 -0.145 0.000 0.917 100 R CB -0.494 29.835 30.300 0.048 0.000 0.832 100 R HN 0.339 nan 8.270 nan 0.000 0.430 101 E N 0.440 120.625 120.200 -0.025 0.000 2.448 101 E HA -0.188 4.162 4.350 0.001 0.000 0.203 101 E C 1.786 178.369 176.600 -0.029 0.000 1.046 101 E CA 1.091 57.487 56.400 -0.006 0.000 0.871 101 E CB -0.067 29.637 29.700 0.006 0.000 0.790 101 E HN 0.263 nan 8.360 nan 0.000 0.545 102 S N -1.347 114.315 115.700 -0.063 0.000 2.421 102 S HA 0.087 4.557 4.470 0.001 0.000 0.224 102 S C 1.413 175.965 174.600 -0.080 0.000 1.035 102 S CA 1.207 59.371 58.200 -0.060 0.000 0.953 102 S CB 0.534 63.697 63.200 -0.061 0.000 0.810 102 S HN 0.385 nan 8.310 nan 0.000 0.497 103 G N 0.604 109.310 108.800 -0.157 0.000 4.172 103 G HA2 0.019 3.980 3.960 0.001 0.000 0.204 103 G HA3 0.019 3.980 3.960 0.001 0.000 0.204 103 G C -0.276 174.410 174.900 -0.357 0.000 1.256 103 G CA -0.250 44.742 45.100 -0.179 0.000 0.886 103 G HN 0.407 nan 8.290 nan 0.000 0.344 104 L N 1.833 122.889 121.223 -0.279 0.000 2.573 104 L HA 0.239 4.580 4.340 0.001 0.000 0.290 104 L C 0.980 177.565 176.870 -0.475 0.000 1.247 104 L CA 0.464 55.155 54.840 -0.248 0.000 0.876 104 L CB 0.139 42.107 42.059 -0.151 0.000 1.123 104 L HN 0.346 nan 8.230 nan 0.000 0.505 105 H N 0.170 119.244 119.070 0.007 0.000 3.233 105 H HA 0.267 4.824 4.556 0.001 0.000 0.252 105 H C -0.744 174.604 175.328 0.033 0.000 1.175 105 H CA 0.005 56.079 56.048 0.044 0.000 1.018 105 H CB 1.111 30.936 29.762 0.105 0.000 2.006 105 H HN 0.652 nan 8.280 nan 0.000 0.714 106 T N -0.766 113.821 114.554 0.055 0.000 2.957 106 T HA 0.341 4.692 4.350 0.001 0.000 0.336 106 T C 1.200 175.861 174.700 -0.065 0.000 1.462 106 T CA -0.037 62.055 62.100 -0.013 0.000 1.073 106 T CB 2.058 70.847 68.868 -0.131 0.000 1.319 106 T HN 0.062 nan 8.240 nan 0.000 0.485 107 A N 1.348 124.128 122.820 -0.067 0.000 1.915 107 A HA -0.228 4.093 4.320 0.001 0.000 0.220 107 A C 1.991 179.466 177.584 -0.181 0.000 1.198 107 A CA 2.578 54.554 52.037 -0.103 0.000 0.647 107 A CB -0.757 18.188 19.000 -0.090 0.000 0.825 107 A HN 0.864 nan 8.150 nan 0.000 0.456 108 E N -0.224 119.848 120.200 -0.213 0.000 2.048 108 E HA -0.143 4.208 4.350 0.001 0.000 0.202 108 E C 2.347 178.748 176.600 -0.332 0.000 1.021 108 E CA 1.627 57.802 56.400 -0.374 0.000 0.825 108 E CB -0.728 28.881 29.700 -0.152 0.000 0.756 108 E HN 0.616 nan 8.360 nan 0.000 0.454 109 A N 0.487 123.230 122.820 -0.129 0.000 1.870 109 A HA -0.284 4.036 4.320 0.001 0.000 0.219 109 A C 2.555 180.093 177.584 -0.077 0.000 1.224 109 A CA 2.360 54.365 52.037 -0.055 0.000 0.650 109 A CB -1.214 17.752 19.000 -0.056 0.000 0.836 109 A HN 0.148 nan 8.150 nan 0.000 0.454 110 V N -0.169 119.685 119.914 -0.100 0.000 2.231 110 V HA -0.323 3.798 4.120 0.001 0.000 0.248 110 V C 3.081 179.105 176.094 -0.118 0.000 1.054 110 V CA 2.447 64.691 62.300 -0.093 0.000 1.015 110 V CB -1.586 30.185 31.823 -0.088 0.000 0.638 110 V HN 0.726 nan 8.190 nan 0.000 0.444 111 A N -0.619 122.079 122.820 -0.203 0.000 1.896 111 A HA -0.302 4.018 4.320 0.001 0.000 0.220 111 A C 2.053 179.516 177.584 -0.200 0.000 1.206 111 A CA 2.722 54.601 52.037 -0.263 0.000 0.647 111 A CB -0.988 17.737 19.000 -0.457 0.000 0.828 111 A HN 0.630 nan 8.150 nan 0.000 0.455 112 Y N -0.157 120.108 120.300 -0.058 0.000 2.314 112 Y HA 0.329 4.879 4.550 0.001 0.000 0.293 112 Y C 1.830 177.698 175.900 -0.053 0.000 1.129 112 Y CA -0.420 57.644 58.100 -0.060 0.000 1.201 112 Y CB -1.177 37.242 38.460 -0.069 0.000 0.999 112 Y HN 0.320 nan 8.280 nan 0.000 0.541 113 A N 2.558 125.408 122.820 0.049 0.000 2.584 113 A HA 0.106 4.427 4.320 0.001 0.000 0.239 113 A C -2.124 175.463 177.584 0.005 0.000 1.043 113 A CA -0.970 51.074 52.037 0.013 0.000 0.756 113 A CB -0.700 18.288 19.000 -0.019 0.000 0.963 113 A HN 0.080 nan 8.150 nan 0.000 0.511 114 P HA 0.410 nan 4.420 nan 0.000 0.272 114 P C 1.332 178.627 177.300 -0.008 0.000 1.240 114 P CA 0.214 63.313 63.100 -0.002 0.000 0.791 114 P CB 0.458 32.156 31.700 -0.003 0.000 0.978 115 R N 1.334 121.829 120.500 -0.009 0.000 2.062 115 R HA -0.068 4.272 4.340 0.001 0.000 0.229 115 R C 2.400 178.693 176.300 -0.011 0.000 1.128 115 R CA 2.562 58.656 56.100 -0.011 0.000 0.960 115 R CB -2.264 28.030 30.300 -0.010 0.000 0.855 115 R HN 0.538 nan 8.270 nan 0.000 0.432 116 K N 1.667 122.061 120.400 -0.009 0.000 2.032 116 K HA -0.266 4.055 4.320 0.001 0.000 0.218 116 K C 1.962 178.556 176.600 -0.010 0.000 1.054 116 K CA 2.054 58.336 56.287 -0.009 0.000 0.941 116 K CB -1.506 30.990 32.500 -0.007 0.000 0.720 116 K HN 0.690 nan 8.250 nan 0.000 0.449 117 D N 0.162 120.556 120.400 -0.011 0.000 2.322 117 D HA -0.126 4.515 4.640 0.001 0.000 0.210 117 D C 1.770 178.058 176.300 -0.019 0.000 0.983 117 D CA 1.476 55.467 54.000 -0.014 0.000 0.902 117 D CB 0.047 40.839 40.800 -0.014 0.000 0.905 117 D HN 0.540 nan 8.370 nan 0.000 0.483 118 L N -0.193 121.019 121.223 -0.019 0.000 2.200 118 L HA -0.001 4.340 4.340 0.001 0.000 0.200 118 L C 2.549 179.408 176.870 -0.017 0.000 1.072 118 L CA 0.185 55.012 54.840 -0.022 0.000 0.787 118 L CB -0.402 41.643 42.059 -0.024 0.000 0.957 118 L HN -0.041 nan 8.230 nan 0.000 0.459 119 L N 0.830 122.044 121.223 -0.014 0.000 2.137 119 L HA -0.248 4.092 4.340 0.001 0.000 0.213 119 L C 3.058 179.921 176.870 -0.010 0.000 1.085 119 L CA 1.813 56.647 54.840 -0.011 0.000 0.760 119 L CB -1.266 40.787 42.059 -0.009 0.000 0.893 119 L HN 0.451 nan 8.230 nan 0.000 0.434 120 E N 0.861 121.055 120.200 -0.011 0.000 2.268 120 E HA -0.028 4.322 4.350 0.001 0.000 0.195 120 E C 1.087 177.681 176.600 -0.010 0.000 0.995 120 E CA 0.464 56.859 56.400 -0.009 0.000 0.836 120 E CB -0.596 29.099 29.700 -0.008 0.000 0.763 120 E HN 0.530 nan 8.360 nan 0.000 0.491 121 I N 1.915 122.477 120.570 -0.013 0.000 2.505 121 I HA 0.254 4.425 4.170 0.001 0.000 0.287 121 I C 1.074 177.184 176.117 -0.012 0.000 1.104 121 I CA -0.086 61.205 61.300 -0.015 0.000 1.387 121 I CB 0.798 38.786 38.000 -0.020 0.000 1.404 121 I HN 0.303 nan 8.210 nan 0.000 0.528 122 K N 5.287 125.681 120.400 -0.009 0.000 2.440 122 K HA 0.309 4.630 4.320 0.001 0.000 0.275 122 K C 1.122 177.717 176.600 -0.008 0.000 1.082 122 K CA 0.600 56.883 56.287 -0.007 0.000 1.135 122 K CB -0.615 31.882 32.500 -0.005 0.000 0.864 122 K HN 1.090 nan 8.250 nan 0.000 0.479 123 G N 0.983 109.779 108.800 -0.007 0.000 2.278 123 G HA2 -0.137 3.823 3.960 0.001 0.000 0.210 123 G HA3 -0.137 3.823 3.960 0.001 0.000 0.210 123 G C 0.080 174.975 174.900 -0.008 0.000 1.000 123 G CA -0.069 45.027 45.100 -0.007 0.000 0.635 123 G HN 0.711 nan 8.290 nan 0.000 0.495 124 I N 3.465 124.029 120.570 -0.010 0.000 2.322 124 I HA 0.362 4.533 4.170 0.001 0.000 0.292 124 I C 1.226 177.338 176.117 -0.010 0.000 1.060 124 I CA -0.369 60.924 61.300 -0.011 0.000 1.309 124 I CB 0.490 38.481 38.000 -0.015 0.000 1.415 124 I HN 0.438 nan 8.210 nan 0.000 0.492 125 S N 3.831 119.525 115.700 -0.009 0.000 2.548 125 S HA 0.230 4.701 4.470 0.001 0.000 0.277 125 S C 1.365 175.960 174.600 -0.009 0.000 1.315 125 S CA 0.038 58.233 58.200 -0.008 0.000 1.050 125 S CB 1.239 64.435 63.200 -0.007 0.000 0.918 125 S HN 0.705 nan 8.310 nan 0.000 0.497 126 E N 2.585 122.780 120.200 -0.008 0.000 2.284 126 E HA -0.138 4.212 4.350 0.001 0.000 0.200 126 E C 1.972 178.567 176.600 -0.008 0.000 1.008 126 E CA 2.008 58.403 56.400 -0.008 0.000 0.829 126 E CB -1.101 28.596 29.700 -0.006 0.000 0.744 126 E HN 1.048 nan 8.360 nan 0.000 0.491 127 A N 0.081 122.896 122.820 -0.008 0.000 1.871 127 A HA 0.141 4.462 4.320 0.001 0.000 0.211 127 A C 2.243 179.822 177.584 -0.009 0.000 1.207 127 A CA 1.529 53.561 52.037 -0.008 0.000 0.620 127 A CB -0.138 18.858 19.000 -0.006 0.000 0.860 127 A HN 0.373 nan 8.150 nan 0.000 0.450 128 K N -0.035 120.359 120.400 -0.009 0.000 2.113 128 K HA -0.194 4.127 4.320 0.001 0.000 0.208 128 K C 2.073 178.665 176.600 -0.014 0.000 1.047 128 K CA 1.423 57.704 56.287 -0.011 0.000 0.928 128 K CB -0.292 32.202 32.500 -0.010 0.000 0.716 128 K HN 0.404 nan 8.250 nan 0.000 0.446 129 A N 1.535 124.346 122.820 -0.014 0.000 1.877 129 A HA -0.202 4.119 4.320 0.001 0.000 0.216 129 A C 1.681 179.255 177.584 -0.018 0.000 1.186 129 A CA 1.966 53.992 52.037 -0.017 0.000 0.620 129 A CB -0.650 18.340 19.000 -0.016 0.000 0.822 129 A HN 0.373 nan 8.150 nan 0.000 0.443 130 D N 0.041 120.433 120.400 -0.015 0.000 2.149 130 D HA -0.199 4.442 4.640 0.001 0.000 0.194 130 D C 2.258 178.548 176.300 -0.016 0.000 1.001 130 D CA 2.468 56.459 54.000 -0.015 0.000 0.849 130 D CB -0.449 40.344 40.800 -0.011 0.000 0.939 130 D HN 0.565 nan 8.370 nan 0.000 0.449 131 K N 0.774 121.165 120.400 -0.015 0.000 2.152 131 K HA -0.116 4.205 4.320 0.001 0.000 0.206 131 K C 2.335 178.924 176.600 -0.020 0.000 1.048 131 K CA 1.049 57.327 56.287 -0.015 0.000 0.933 131 K CB -0.896 31.597 32.500 -0.013 0.000 0.721 131 K HN 0.216 nan 8.250 nan 0.000 0.447 132 L N -0.534 120.675 121.223 -0.023 0.000 2.062 132 L HA 0.037 4.378 4.340 0.001 0.000 0.202 132 L C 3.236 180.083 176.870 -0.037 0.000 1.079 132 L CA 0.971 55.793 54.840 -0.030 0.000 0.755 132 L CB -0.856 41.184 42.059 -0.032 0.000 0.913 132 L HN 0.357 nan 8.230 nan 0.000 0.445 133 L N -0.239 120.961 121.223 -0.037 0.000 2.123 133 L HA -0.326 4.015 4.340 0.001 0.000 0.217 133 L C 2.147 178.992 176.870 -0.043 0.000 1.081 133 L CA 3.017 57.831 54.840 -0.044 0.000 0.772 133 L CB -2.033 40.005 42.059 -0.034 0.000 0.890 133 L HN 0.457 nan 8.230 nan 0.000 0.437 134 N N -1.262 117.419 118.700 -0.032 0.000 2.171 134 N HA -0.148 4.592 4.740 0.001 0.000 0.184 134 N C 1.923 177.415 175.510 -0.030 0.000 1.021 134 N CA 1.319 54.353 53.050 -0.027 0.000 0.854 134 N CB -0.044 38.431 38.487 -0.019 0.000 0.994 134 N HN 0.781 nan 8.380 nan 0.000 0.426 135 E N 0.294 120.475 120.200 -0.031 0.000 2.015 135 E HA 0.014 4.364 4.350 0.001 0.000 0.191 135 E C 1.830 178.404 176.600 -0.043 0.000 0.991 135 E CA 1.494 57.876 56.400 -0.031 0.000 0.802 135 E CB -0.652 29.032 29.700 -0.026 0.000 0.759 135 E HN 0.327 nan 8.360 nan 0.000 0.447 136 A N 1.225 124.011 122.820 -0.056 0.000 1.892 136 A HA -0.198 4.123 4.320 0.001 0.000 0.218 136 A C 2.500 180.031 177.584 -0.089 0.000 1.188 136 A CA 2.655 54.644 52.037 -0.080 0.000 0.631 136 A CB -1.414 17.521 19.000 -0.108 0.000 0.822 136 A HN 0.456 nan 8.150 nan 0.000 0.447 137 A N -0.950 121.821 122.820 -0.082 0.000 2.148 137 A HA -0.057 4.264 4.320 0.001 0.000 0.222 137 A C 2.340 179.895 177.584 -0.050 0.000 1.161 137 A CA 2.661 54.654 52.037 -0.073 0.000 0.662 137 A CB -0.880 18.089 19.000 -0.053 0.000 0.799 137 A HN 0.834 nan 8.150 nan 0.000 0.466 138 R N -0.462 120.013 120.500 -0.041 0.000 2.127 138 R HA 0.356 4.697 4.340 0.001 0.000 0.217 138 R C 1.906 178.189 176.300 -0.029 0.000 1.074 138 R CA 1.282 57.365 56.100 -0.027 0.000 0.991 138 R CB -1.064 29.224 30.300 -0.021 0.000 0.895 138 R HN 0.568 nan 8.270 nan 0.000 0.450 139 L N 0.083 121.282 121.223 -0.040 0.000 2.477 139 L HA 0.253 4.594 4.340 0.001 0.000 0.220 139 L C -0.404 176.437 176.870 -0.049 0.000 1.106 139 L CA 0.204 55.020 54.840 -0.039 0.000 0.851 139 L CB 0.762 42.797 42.059 -0.040 0.000 0.994 139 L HN 0.088 nan 8.230 nan 0.000 0.462 140 V N -0.309 119.561 119.914 -0.073 0.000 2.638 140 V HA 0.406 4.527 4.120 0.001 0.000 0.306 140 V C -2.107 173.946 176.094 -0.068 0.000 1.052 140 V CA -1.483 60.766 62.300 -0.085 0.000 0.885 140 V CB 1.792 33.505 31.823 -0.183 0.000 0.999 140 V HN -0.099 nan 8.190 nan 0.000 0.424 141 P HA 0.508 nan 4.420 nan 0.000 0.302 141 P C -0.464 176.832 177.300 -0.007 0.000 1.301 141 P CA -0.476 62.620 63.100 -0.006 0.000 0.745 141 P CB 1.109 32.821 31.700 0.019 0.000 1.331 142 M N -1.862 117.736 119.600 -0.003 0.000 6.007 142 M HA 0.206 4.687 4.480 0.001 0.000 0.705 142 M C -0.269 175.992 176.300 -0.065 0.000 2.509 142 M CA -0.098 55.198 55.300 -0.007 0.000 0.143 142 M CB -0.103 32.497 32.600 0.000 0.000 1.577 142 M HN 0.509 nan 8.290 nan 0.000 0.750 143 G N -0.412 108.357 108.800 -0.053 0.000 3.013 143 G HA2 0.829 4.790 3.960 0.001 0.000 0.278 143 G HA3 0.829 4.790 3.960 0.001 0.000 0.278 143 G C -0.839 174.018 174.900 -0.071 0.000 1.353 143 G CA -0.553 44.523 45.100 -0.040 0.000 1.043 143 G HN 0.083 nan 8.290 nan 0.000 0.523 144 F N -0.855 119.086 119.950 -0.014 0.000 2.373 144 F HA 0.561 5.089 4.527 0.001 0.000 0.302 144 F C 0.922 176.718 175.800 -0.006 0.000 1.247 144 F CA 0.166 58.152 58.000 -0.024 0.000 1.169 144 F CB 1.244 40.231 39.000 -0.021 0.000 1.309 144 F HN 0.373 nan 8.300 nan 0.000 0.537 145 V N -3.248 116.800 119.914 0.223 0.000 3.236 145 V HA 0.453 4.574 4.120 0.001 0.000 0.287 145 V C -0.507 175.673 176.094 0.144 0.000 1.491 145 V CA -1.011 61.377 62.300 0.147 0.000 1.037 145 V CB 0.729 32.630 31.823 0.130 0.000 1.160 145 V HN 0.935 nan 8.190 nan 0.000 0.453 146 T N 0.433 115.062 114.554 0.124 0.000 2.754 146 T HA 0.696 5.047 4.350 0.001 0.000 0.286 146 T C 1.330 176.121 174.700 0.151 0.000 0.997 146 T CA 0.694 62.860 62.100 0.111 0.000 0.982 146 T CB 1.429 70.348 68.868 0.086 0.000 1.027 146 T HN 1.944 nan 8.240 nan 0.000 0.529 147 A N 1.752 124.657 122.820 0.141 0.000 1.832 147 A HA 0.319 4.639 4.320 0.001 0.000 0.214 147 A C 2.776 180.499 177.584 0.233 0.000 1.204 147 A CA 1.719 53.873 52.037 0.194 0.000 0.606 147 A CB -1.670 17.412 19.000 0.137 0.000 0.849 147 A HN 1.369 nan 8.150 nan 0.000 0.445 148 A N 0.141 123.060 122.820 0.164 0.000 1.915 148 A HA -0.339 3.982 4.320 0.001 0.000 0.220 148 A C 1.925 179.610 177.584 0.168 0.000 1.198 148 A CA 2.446 54.584 52.037 0.169 0.000 0.647 148 A CB -0.933 18.137 19.000 0.116 0.000 0.825 148 A HN 0.581 nan 8.150 nan 0.000 0.456 149 D N -1.356 119.132 120.400 0.148 0.000 2.149 149 D HA -0.207 4.434 4.640 0.001 0.000 0.194 149 D C 1.667 178.068 176.300 0.168 0.000 1.001 149 D CA 1.714 55.792 54.000 0.130 0.000 0.849 149 D CB -0.302 40.573 40.800 0.125 0.000 0.939 149 D HN 0.385 nan 8.370 nan 0.000 0.449 150 F N 1.295 121.290 119.950 0.074 0.000 2.039 150 F HA -0.155 4.373 4.527 0.001 0.000 0.294 150 F C 2.433 178.291 175.800 0.095 0.000 1.130 150 F CA 2.057 60.102 58.000 0.074 0.000 1.189 150 F CB -1.378 37.667 39.000 0.075 0.000 0.983 150 F HN 0.062 nan 8.300 nan 0.000 0.471 151 H N 0.162 119.133 119.070 -0.164 0.000 2.505 151 H HA -0.288 4.268 4.556 0.001 0.000 0.295 151 H C 1.918 177.148 175.328 -0.164 0.000 1.121 151 H CA 2.762 58.676 56.048 -0.225 0.000 1.217 151 H CB -0.512 29.214 29.762 -0.059 0.000 1.357 151 H HN 0.355 nan 8.280 nan 0.000 0.533 152 M N 0.208 119.669 119.600 -0.231 0.000 2.113 152 M HA 0.021 4.502 4.480 0.001 0.000 0.252 152 M C 2.576 178.737 176.300 -0.230 0.000 1.122 152 M CA 1.827 56.975 55.300 -0.254 0.000 1.119 152 M CB -1.252 31.287 32.600 -0.102 0.000 1.235 152 M HN 0.380 nan 8.290 nan 0.000 0.432 153 R N 0.292 120.710 120.500 -0.137 0.000 2.292 153 R HA -0.319 4.022 4.340 0.001 0.000 0.268 153 R C 2.498 178.692 176.300 -0.178 0.000 1.150 153 R CA 3.119 59.149 56.100 -0.115 0.000 0.993 153 R CB -1.036 29.240 30.300 -0.040 0.000 0.901 153 R HN 0.806 nan 8.270 nan 0.000 0.470 154 R N 0.377 120.692 120.500 -0.309 0.000 2.092 154 R HA -0.039 4.301 4.340 0.001 0.000 0.231 154 R C 2.217 178.399 176.300 -0.196 0.000 1.119 154 R CA 1.876 57.796 56.100 -0.300 0.000 0.970 154 R CB -1.022 29.016 30.300 -0.436 0.000 0.864 154 R HN 0.347 nan 8.270 nan 0.000 0.440 155 S N 0.114 115.673 115.700 -0.235 0.000 2.362 155 S HA 0.007 4.478 4.470 0.001 0.000 0.221 155 S C 2.459 176.989 174.600 -0.117 0.000 1.032 155 S CA 0.969 59.062 58.200 -0.178 0.000 0.973 155 S CB -0.234 62.818 63.200 -0.246 0.000 0.849 155 S HN 0.832 nan 8.310 nan 0.000 0.465 156 E N 1.316 121.447 120.200 -0.115 0.000 2.448 156 E HA 0.210 4.560 4.350 0.001 0.000 0.203 156 E C 0.703 177.271 176.600 -0.052 0.000 1.046 156 E CA 1.104 57.461 56.400 -0.072 0.000 0.871 156 E CB -1.546 28.117 29.700 -0.061 0.000 0.790 156 E HN 0.650 nan 8.360 nan 0.000 0.545 157 L N 0.583 121.770 121.223 -0.059 0.000 2.326 157 L HA 0.675 5.016 4.340 0.001 0.000 0.278 157 L C 0.892 177.746 176.870 -0.027 0.000 1.092 157 L CA -0.733 54.085 54.840 -0.037 0.000 0.810 157 L CB 0.169 42.203 42.059 -0.040 0.000 1.153 157 L HN 0.389 nan 8.230 nan 0.000 0.439 158 I N 0.515 121.076 120.570 -0.014 0.000 3.292 158 I HA 0.323 4.494 4.170 0.001 0.000 0.279 158 I C 0.259 176.371 176.117 -0.008 0.000 1.268 158 I CA 0.137 61.431 61.300 -0.010 0.000 1.342 158 I CB 0.338 38.337 38.000 -0.003 0.000 1.366 158 I HN 0.736 nan 8.210 nan 0.000 0.615 159 C N 4.200 123.495 119.300 -0.008 0.000 3.146 159 C HA 0.312 4.772 4.460 0.001 0.000 0.382 159 C C 0.013 174.997 174.990 -0.010 0.000 1.060 159 C CA -0.809 58.205 59.018 -0.006 0.000 1.304 159 C CB -0.321 27.416 27.740 -0.004 0.000 1.699 159 C HN 0.505 nan 8.230 nan 0.000 0.532 160 L N 1.784 122.998 121.223 -0.014 0.000 2.473 160 L HA 0.522 4.863 4.340 0.001 0.000 0.268 160 L C 0.850 177.707 176.870 -0.022 0.000 1.215 160 L CA 0.689 55.512 54.840 -0.028 0.000 0.823 160 L CB 0.541 42.581 42.059 -0.033 0.000 1.099 160 L HN 0.610 nan 8.230 nan 0.000 0.483 161 T N -1.413 113.119 114.554 -0.036 0.000 2.887 161 T HA 0.304 4.655 4.350 0.001 0.000 0.288 161 T C 0.883 175.572 174.700 -0.018 0.000 1.021 161 T CA -0.105 61.985 62.100 -0.017 0.000 1.000 161 T CB 1.471 70.339 68.868 0.000 0.000 1.034 161 T HN 0.816 nan 8.240 nan 0.000 0.467 162 T N 1.000 115.558 114.554 0.006 0.000 2.851 162 T HA 0.292 4.643 4.350 0.001 0.000 0.262 162 T C 1.671 176.397 174.700 0.043 0.000 1.043 162 T CA 1.145 63.246 62.100 0.002 0.000 1.140 162 T CB -0.451 68.399 68.868 -0.030 0.000 0.872 162 T HN 1.526 nan 8.240 nan 0.000 0.446 163 G N 0.390 109.243 108.800 0.089 0.000 2.192 163 G HA2 -0.093 3.867 3.960 0.001 0.000 0.193 163 G HA3 -0.093 3.867 3.960 0.001 0.000 0.193 163 G C 0.171 175.139 174.900 0.114 0.000 0.999 163 G CA 0.180 45.383 45.100 0.171 0.000 0.659 163 G HN 1.170 nan 8.290 nan 0.000 0.503 164 S N -0.022 115.721 115.700 0.073 0.000 2.756 164 S HA 0.595 5.066 4.470 0.001 0.000 0.303 164 S C 1.323 175.960 174.600 0.061 0.000 1.135 164 S CA 0.259 58.504 58.200 0.075 0.000 1.066 164 S CB 1.208 64.456 63.200 0.080 0.000 1.008 164 S HN 0.296 nan 8.310 nan 0.000 0.482 165 K N 3.340 123.774 120.400 0.058 0.000 2.032 165 K HA -0.202 4.119 4.320 0.001 0.000 0.218 165 K C 1.683 178.310 176.600 0.045 0.000 1.054 165 K CA 2.235 58.550 56.287 0.046 0.000 0.941 165 K CB -0.313 32.210 32.500 0.039 0.000 0.720 165 K HN 0.652 nan 8.250 nan 0.000 0.449 166 N N 1.049 119.782 118.700 0.055 0.000 2.061 166 N HA -0.211 4.530 4.740 0.001 0.000 0.193 166 N C 1.875 177.416 175.510 0.052 0.000 1.030 166 N CA 1.211 54.294 53.050 0.055 0.000 0.856 166 N CB -0.400 38.131 38.487 0.074 0.000 1.023 166 N HN 0.057 nan 8.380 nan 0.000 0.424 167 L N 2.066 123.324 121.223 0.058 0.000 1.973 167 L HA -0.118 4.223 4.340 0.001 0.000 0.208 167 L C 1.670 178.550 176.870 0.017 0.000 1.073 167 L CA 1.772 56.630 54.840 0.031 0.000 0.746 167 L CB -0.911 41.142 42.059 -0.010 0.000 0.891 167 L HN -0.006 nan 8.230 nan 0.000 0.433 168 D N -0.861 119.550 120.400 0.019 0.000 2.160 168 D HA -0.250 4.391 4.640 0.001 0.000 0.189 168 D C 1.998 178.309 176.300 0.019 0.000 1.003 168 D CA 2.216 56.227 54.000 0.018 0.000 0.846 168 D CB -0.716 40.099 40.800 0.024 0.000 0.949 168 D HN 0.331 nan 8.370 nan 0.000 0.446 169 T N 0.721 115.288 114.554 0.022 0.000 2.802 169 T HA -0.183 4.168 4.350 0.001 0.000 0.269 169 T C 1.776 176.486 174.700 0.017 0.000 1.062 169 T CA 0.675 62.787 62.100 0.020 0.000 1.133 169 T CB -0.244 68.638 68.868 0.022 0.000 0.852 169 T HN 0.034 nan 8.240 nan 0.000 0.485 170 L N 0.131 121.365 121.223 0.017 0.000 2.162 170 L HA 0.296 4.637 4.340 0.001 0.000 0.205 170 L C 1.795 178.672 176.870 0.013 0.000 1.086 170 L CA 1.375 56.222 54.840 0.013 0.000 0.778 170 L CB -0.303 41.761 42.059 0.009 0.000 0.928 170 L HN 0.229 nan 8.230 nan 0.000 0.446 171 L N -0.393 120.838 121.223 0.014 0.000 2.591 171 L HA 0.261 4.602 4.340 0.001 0.000 0.228 171 L C 1.210 178.090 176.870 0.017 0.000 1.133 171 L CA 0.541 55.391 54.840 0.017 0.000 0.880 171 L CB -0.623 41.447 42.059 0.018 0.000 1.033 171 L HN 0.499 nan 8.230 nan 0.000 0.450 172 G N -0.061 108.749 108.800 0.016 0.000 2.182 172 G HA2 -0.130 3.830 3.960 0.001 0.000 0.248 172 G HA3 -0.130 3.830 3.960 0.001 0.000 0.248 172 G C 0.752 175.660 174.900 0.012 0.000 1.042 172 G CA 0.166 45.276 45.100 0.015 0.000 0.775 172 G HN 0.609 nan 8.290 nan 0.000 0.501 173 G N -2.541 106.267 108.800 0.013 0.000 2.428 173 G HA2 0.527 4.487 3.960 0.001 0.000 0.199 173 G HA3 0.527 4.487 3.960 0.001 0.000 0.199 173 G C 1.399 176.305 174.900 0.010 0.000 1.005 173 G CA 0.984 46.090 45.100 0.011 0.000 0.671 173 G HN 2.804 nan 8.290 nan 0.000 0.485 174 G N -1.592 107.214 108.800 0.010 0.000 2.352 174 G HA2 0.524 4.485 3.960 0.001 0.000 0.283 174 G HA3 0.524 4.485 3.960 0.001 0.000 0.283 174 G C -0.279 174.628 174.900 0.011 0.000 1.308 174 G CA 0.477 45.582 45.100 0.008 0.000 0.892 174 G HN 1.793 nan 8.290 nan 0.000 0.504 175 V N -1.066 118.854 119.914 0.009 0.000 2.508 175 V HA 0.658 4.778 4.120 0.001 0.000 0.281 175 V C 0.448 176.548 176.094 0.010 0.000 1.041 175 V CA -0.172 62.137 62.300 0.014 0.000 1.016 175 V CB 1.211 33.042 31.823 0.013 0.000 0.984 175 V HN 0.839 nan 8.190 nan 0.000 0.478 176 E N 3.661 123.870 120.200 0.014 0.000 2.354 176 E HA 0.354 4.705 4.350 0.001 0.000 0.269 176 E C 0.461 177.068 176.600 0.011 0.000 1.036 176 E CA -0.139 56.267 56.400 0.010 0.000 0.876 176 E CB 1.126 30.833 29.700 0.012 0.000 1.009 176 E HN 1.057 nan 8.360 nan 0.000 0.416 177 T N 0.329 114.889 114.554 0.009 0.000 2.824 177 T HA 0.484 4.834 4.350 0.001 0.000 0.277 177 T C 1.133 175.843 174.700 0.017 0.000 0.975 177 T CA 0.077 62.186 62.100 0.015 0.000 0.966 177 T CB 1.361 70.241 68.868 0.020 0.000 1.054 177 T HN 0.712 nan 8.240 nan 0.000 0.533 178 G N 0.261 109.074 108.800 0.022 0.000 2.245 178 G HA2 -0.233 3.727 3.960 0.001 0.000 0.264 178 G HA3 -0.233 3.727 3.960 0.001 0.000 0.264 178 G C 0.289 175.194 174.900 0.008 0.000 0.985 178 G CA 0.822 45.933 45.100 0.019 0.000 0.625 178 G HN 1.858 nan 8.290 nan 0.000 0.536 179 S N -0.724 114.982 115.700 0.010 0.000 2.634 179 S HA 0.808 5.279 4.470 0.001 0.000 0.296 179 S C -0.165 174.437 174.600 0.004 0.000 1.104 179 S CA -0.943 57.261 58.200 0.006 0.000 0.920 179 S CB 2.384 65.594 63.200 0.017 0.000 1.111 179 S HN 0.590 nan 8.310 nan 0.000 0.493 180 I N 1.593 122.163 120.570 0.001 0.000 2.519 180 I HA 0.340 4.510 4.170 0.001 0.000 0.287 180 I C -0.125 176.006 176.117 0.023 0.000 1.047 180 I CA -0.062 61.239 61.300 0.003 0.000 1.381 180 I CB 1.632 39.628 38.000 -0.006 0.000 1.417 180 I HN 0.679 nan 8.210 nan 0.000 0.540 181 T N 5.251 119.823 114.554 0.029 0.000 2.890 181 T HA 0.190 4.541 4.350 0.001 0.000 0.295 181 T C -0.650 174.089 174.700 0.065 0.000 0.993 181 T CA -0.568 61.563 62.100 0.051 0.000 0.979 181 T CB 1.145 70.041 68.868 0.047 0.000 0.967 181 T HN 0.555 nan 8.240 nan 0.000 0.441 182 E N 4.165 124.430 120.200 0.108 0.000 2.156 182 E HA 0.480 4.831 4.350 0.001 0.000 0.279 182 E C -1.063 175.664 176.600 0.212 0.000 0.965 182 E CA -0.629 55.859 56.400 0.147 0.000 0.789 182 E CB 0.678 30.481 29.700 0.172 0.000 1.098 182 E HN 0.512 nan 8.360 nan 0.000 0.397 183 L N 6.791 128.098 121.223 0.141 0.000 2.316 183 L HA 0.479 4.819 4.340 0.001 0.000 0.280 183 L C -0.803 176.084 176.870 0.029 0.000 1.006 183 L CA -0.947 53.912 54.840 0.031 0.000 0.836 183 L CB 0.353 42.301 42.059 -0.186 0.000 1.221 183 L HN 0.500 nan 8.230 nan 0.000 0.418 184 F N 1.034 121.000 119.950 0.028 0.000 2.576 184 F HA 1.019 5.546 4.527 0.001 0.000 0.313 184 F C 0.033 175.883 175.800 0.083 0.000 1.078 184 F CA -0.737 57.276 58.000 0.022 0.000 0.921 184 F CB 2.142 41.162 39.000 0.033 0.000 1.232 184 F HN 0.472 nan 8.300 nan 0.000 0.459 185 G N 1.313 110.206 108.800 0.155 0.000 2.313 185 G HA2 0.286 4.246 3.960 0.001 0.000 0.296 185 G HA3 0.286 4.246 3.960 0.001 0.000 0.296 185 G C -1.919 173.014 174.900 0.056 0.000 1.356 185 G CA -1.080 44.078 45.100 0.098 0.000 0.833 185 G HN 0.796 nan 8.290 nan 0.000 0.552 186 E N -0.518 119.708 120.200 0.044 0.000 2.391 186 E HA 0.310 4.660 4.350 0.001 0.000 0.255 186 E C -0.204 176.426 176.600 0.050 0.000 1.187 186 E CA -0.211 56.179 56.400 -0.015 0.000 0.941 186 E CB 1.012 30.726 29.700 0.022 0.000 1.010 186 E HN 0.329 nan 8.360 nan 0.000 0.458 187 F N 0.465 120.450 119.950 0.058 0.000 2.595 187 F HA -0.032 4.495 4.527 0.000 0.000 0.359 187 F C 1.343 177.170 175.800 0.045 0.000 1.147 187 F CA 0.180 58.210 58.000 0.049 0.000 1.341 187 F CB 0.315 39.341 39.000 0.044 0.000 1.104 187 F HN 0.410 nan 8.300 nan 0.000 0.603 188 R N 0.406 121.094 120.500 0.313 0.000 3.322 188 R HA -0.176 4.165 4.340 0.001 0.000 0.253 188 R C 0.205 176.590 176.300 0.141 0.000 0.987 188 R CA 0.780 56.982 56.100 0.170 0.000 0.666 188 R CB -2.075 28.296 30.300 0.117 0.000 1.072 188 R HN 0.796 nan 8.270 nan 0.000 0.447 189 T N -3.668 110.977 114.554 0.151 0.000 3.174 189 T HA 0.412 4.763 4.350 0.001 0.000 0.269 189 T C 1.143 175.983 174.700 0.233 0.000 1.017 189 T CA 0.246 62.437 62.100 0.151 0.000 0.899 189 T CB 1.405 70.364 68.868 0.152 0.000 1.077 189 T HN 0.640 nan 8.240 nan 0.000 0.552 190 G N 1.745 110.673 108.800 0.212 0.000 2.148 190 G HA2 -0.234 3.726 3.960 0.001 0.000 0.203 190 G HA3 -0.234 3.726 3.960 0.001 0.000 0.203 190 G C 0.699 175.707 174.900 0.181 0.000 0.993 190 G CA 0.214 45.508 45.100 0.324 0.000 0.661 190 G HN 0.533 nan 8.290 nan 0.000 0.518 191 K N 0.288 120.675 120.400 -0.021 0.000 2.056 191 K HA 0.215 4.535 4.320 0.001 0.000 0.205 191 K C 2.545 179.136 176.600 -0.015 0.000 1.035 191 K CA 0.887 57.035 56.287 -0.231 0.000 0.955 191 K CB -0.568 31.754 32.500 -0.298 0.000 0.769 191 K HN 0.157 nan 8.250 nan 0.000 0.447 192 S N 1.258 117.007 115.700 0.082 0.000 2.393 192 S HA -0.259 4.211 4.470 0.001 0.000 0.235 192 S C 2.081 176.878 174.600 0.328 0.000 1.061 192 S CA 1.770 60.095 58.200 0.209 0.000 1.129 192 S CB -0.309 63.028 63.200 0.228 0.000 1.011 192 S HN 0.231 nan 8.310 nan 0.000 0.436 193 Q N 0.605 120.549 119.800 0.240 0.000 2.096 193 Q HA -0.156 4.185 4.340 0.001 0.000 0.208 193 Q C 2.272 178.421 176.000 0.248 0.000 0.993 193 Q CA 1.608 57.550 55.803 0.232 0.000 0.862 193 Q CB -1.046 27.789 28.738 0.162 0.000 0.915 193 Q HN 0.626 nan 8.270 nan 0.000 0.416 194 L N 0.000 121.312 121.223 0.148 0.000 1.976 194 L HA -0.220 4.121 4.340 0.001 0.000 0.209 194 L C 2.416 179.348 176.870 0.104 0.000 1.071 194 L CA 1.503 56.391 54.840 0.081 0.000 0.746 194 L CB -0.397 41.659 42.059 -0.004 0.000 0.890 194 L HN 0.275 nan 8.230 nan 0.000 0.432 195 C N -0.094 119.258 119.300 0.085 0.000 2.375 195 C HA -0.273 4.187 4.460 0.001 0.000 0.274 195 C C 2.395 177.447 174.990 0.104 0.000 1.190 195 C CA 1.317 60.371 59.018 0.060 0.000 1.775 195 C CB -1.687 26.060 27.740 0.012 0.000 2.067 195 C HN 0.636 nan 8.230 nan 0.000 0.463 196 H N 0.520 119.723 119.070 0.221 0.000 2.257 196 H HA -0.152 4.404 4.556 0.001 0.000 0.292 196 H C 2.281 177.677 175.328 0.113 0.000 1.075 196 H CA 2.388 58.541 56.048 0.174 0.000 1.212 196 H CB -1.128 28.688 29.762 0.089 0.000 1.354 196 H HN 0.401 nan 8.280 nan 0.000 0.497 197 T N 1.256 115.946 114.554 0.227 0.000 2.450 197 T HA -0.281 4.070 4.350 0.001 0.000 0.250 197 T C 2.214 176.943 174.700 0.048 0.000 1.264 197 T CA 1.718 63.900 62.100 0.135 0.000 1.191 197 T CB -0.829 68.118 68.868 0.132 0.000 0.862 197 T HN 0.192 nan 8.240 nan 0.000 0.411 198 L N 0.680 121.925 121.223 0.036 0.000 2.198 198 L HA -0.303 4.038 4.340 0.001 0.000 0.218 198 L C 2.741 179.615 176.870 0.008 0.000 1.084 198 L CA 1.448 56.288 54.840 0.000 0.000 0.779 198 L CB -0.621 41.446 42.059 0.013 0.000 0.890 198 L HN 0.400 nan 8.230 nan 0.000 0.439 199 A N -1.672 121.184 122.820 0.061 0.000 2.178 199 A HA -0.057 4.263 4.320 0.001 0.000 0.218 199 A C 2.007 179.613 177.584 0.035 0.000 1.157 199 A CA 1.623 53.714 52.037 0.091 0.000 0.689 199 A CB -0.118 18.973 19.000 0.152 0.000 0.787 199 A HN 0.324 nan 8.150 nan 0.000 0.465 200 V N -1.500 118.401 119.914 -0.022 0.000 3.058 200 V HA -0.072 4.048 4.120 0.001 0.000 0.233 200 V C 2.408 178.374 176.094 -0.214 0.000 1.255 200 V CA 1.442 63.691 62.300 -0.086 0.000 1.267 200 V CB -0.338 31.441 31.823 -0.072 0.000 1.049 200 V HN 0.649 nan 8.190 nan 0.000 0.486 201 T N -0.556 113.803 114.554 -0.325 0.000 3.093 201 T HA -0.214 4.136 4.350 0.001 0.000 0.270 201 T C 1.546 176.122 174.700 -0.207 0.000 1.170 201 T CA 1.388 63.245 62.100 -0.405 0.000 1.072 201 T CB -1.303 67.305 68.868 -0.433 0.000 0.863 201 T HN 0.731 nan 8.240 nan 0.000 0.562 202 C N -0.574 118.649 119.300 -0.130 0.000 2.780 202 C HA 0.353 4.814 4.460 0.001 0.000 0.267 202 C C 2.176 177.120 174.990 -0.077 0.000 1.266 202 C CA -0.531 58.441 59.018 -0.077 0.000 1.709 202 C CB -0.780 26.939 27.740 -0.034 0.000 1.975 202 C HN 0.537 nan 8.230 nan 0.000 0.582 203 Q N 0.570 120.313 119.800 -0.095 0.000 2.356 203 Q HA 0.279 4.620 4.340 0.001 0.000 0.205 203 Q C 0.103 176.058 176.000 -0.076 0.000 0.901 203 Q CA 0.056 55.810 55.803 -0.082 0.000 0.938 203 Q CB 0.397 29.091 28.738 -0.075 0.000 1.081 203 Q HN 0.511 nan 8.270 nan 0.000 0.517 204 I N 2.532 123.040 120.570 -0.103 0.000 2.575 204 I HA 0.150 4.321 4.170 0.001 0.000 0.285 204 I C -2.145 173.943 176.117 -0.049 0.000 1.085 204 I CA -3.239 58.010 61.300 -0.084 0.000 1.403 204 I CB 0.202 38.108 38.000 -0.156 0.000 1.409 204 I HN -0.192 nan 8.210 nan 0.000 0.557 205 P HA 0.020 nan 4.420 nan 0.000 0.260 205 P C 1.124 178.418 177.300 -0.010 0.000 1.172 205 P CA 0.189 63.282 63.100 -0.011 0.000 0.760 205 P CB 0.370 32.072 31.700 0.003 0.000 0.773 206 L N 2.943 124.159 121.223 -0.011 0.000 2.085 206 L HA -0.321 4.020 4.340 0.001 0.000 0.218 206 L C 1.992 178.860 176.870 -0.003 0.000 1.080 206 L CA 2.051 56.885 54.840 -0.009 0.000 0.776 206 L CB -0.878 41.176 42.059 -0.008 0.000 0.891 206 L HN 0.524 nan 8.230 nan 0.000 0.437 207 D N 0.105 120.507 120.400 0.002 0.000 2.144 207 D HA -0.189 4.452 4.640 0.001 0.000 0.200 207 D C 2.117 178.426 176.300 0.015 0.000 0.978 207 D CA 1.414 55.418 54.000 0.007 0.000 0.833 207 D CB -0.247 40.558 40.800 0.008 0.000 0.961 207 D HN 0.468 nan 8.370 nan 0.000 0.470 208 I N 0.163 120.747 120.570 0.023 0.000 2.286 208 I HA 0.036 4.207 4.170 0.001 0.000 0.245 208 I C 2.253 178.392 176.117 0.037 0.000 1.104 208 I CA 1.604 62.929 61.300 0.042 0.000 1.397 208 I CB -0.003 38.037 38.000 0.067 0.000 1.072 208 I HN 0.327 nan 8.210 nan 0.000 0.417 209 G N -0.670 108.137 108.800 0.012 0.000 3.751 209 G HA2 -0.021 3.940 3.960 0.001 0.000 0.216 209 G HA3 -0.021 3.940 3.960 0.001 0.000 0.216 209 G C 0.680 175.560 174.900 -0.035 0.000 0.911 209 G CA -0.107 44.991 45.100 -0.003 0.000 0.869 209 G HN 0.473 nan 8.290 nan 0.000 0.462 210 G N -0.177 108.593 108.800 -0.052 0.000 2.479 210 G HA2 0.473 4.434 3.960 0.001 0.000 0.275 210 G HA3 0.473 4.434 3.960 0.001 0.000 0.275 210 G C 1.071 175.946 174.900 -0.043 0.000 1.421 210 G CA 0.520 45.579 45.100 -0.068 0.000 1.059 210 G HN 1.214 nan 8.290 nan 0.000 0.535 211 G N -2.382 106.391 108.800 -0.045 0.000 3.443 211 G HA2 0.370 4.330 3.960 0.001 0.000 0.252 211 G HA3 0.370 4.330 3.960 0.001 0.000 0.252 211 G C 0.376 175.258 174.900 -0.029 0.000 1.015 211 G CA 0.731 45.814 45.100 -0.028 0.000 0.891 211 G HN 0.675 nan 8.290 nan 0.000 0.510 212 E N -1.155 119.021 120.200 -0.041 0.000 3.426 212 E HA -0.185 4.166 4.350 0.001 0.000 0.291 212 E C 1.078 177.644 176.600 -0.057 0.000 0.898 212 E CA 0.393 56.767 56.400 -0.044 0.000 0.970 212 E CB -1.218 28.464 29.700 -0.030 0.000 1.489 212 E HN 0.548 nan 8.360 nan 0.000 0.461 213 G N 0.059 108.823 108.800 -0.060 0.000 2.491 213 G HA2 0.485 4.445 3.960 0.001 0.000 0.327 213 G HA3 0.485 4.445 3.960 0.001 0.000 0.327 213 G C 0.001 174.812 174.900 -0.149 0.000 1.189 213 G CA -0.685 44.360 45.100 -0.091 0.000 0.956 213 G HN -0.089 nan 8.290 nan 0.000 0.491 214 K N -1.484 118.731 120.400 -0.309 0.000 2.614 214 K HA 0.429 4.750 4.320 0.001 0.000 0.275 214 K C -0.524 175.973 176.600 -0.172 0.000 1.055 214 K CA -0.159 55.886 56.287 -0.402 0.000 0.961 214 K CB 0.657 32.592 32.500 -0.941 0.000 1.220 214 K HN 0.444 nan 8.250 nan 0.000 0.491 215 C N 0.805 120.078 119.300 -0.045 0.000 2.701 215 C HA 0.470 4.931 4.460 0.001 0.000 0.336 215 C C -1.391 173.793 174.990 0.323 0.000 1.123 215 C CA -0.890 58.240 59.018 0.187 0.000 1.326 215 C CB 0.293 28.100 27.740 0.112 0.000 1.833 215 C HN 0.657 nan 8.230 nan 0.000 0.473 216 L N 5.733 127.143 121.223 0.311 0.000 2.264 216 L HA 0.583 4.924 4.340 0.001 0.000 0.289 216 L C -1.176 175.745 176.870 0.085 0.000 1.044 216 L CA -0.057 54.864 54.840 0.135 0.000 0.807 216 L CB 0.793 42.798 42.059 -0.091 0.000 1.192 216 L HN 0.788 nan 8.230 nan 0.000 0.425 217 Y N 5.849 126.109 120.300 -0.066 0.000 2.326 217 Y HA 0.533 5.084 4.550 0.001 0.000 0.329 217 Y C -0.735 175.042 175.900 -0.205 0.000 0.973 217 Y CA -0.742 57.285 58.100 -0.121 0.000 1.162 217 Y CB 1.164 39.527 38.460 -0.163 0.000 1.147 217 Y HN 0.415 nan 8.280 nan 0.000 0.456 218 I N 5.617 126.057 120.570 -0.215 0.000 2.328 218 I HA 0.165 4.336 4.170 0.001 0.000 0.287 218 I C -0.917 175.071 176.117 -0.215 0.000 1.012 218 I CA -0.423 60.743 61.300 -0.222 0.000 1.195 218 I CB 1.136 39.032 38.000 -0.173 0.000 1.350 218 I HN 0.612 nan 8.210 nan 0.000 0.464 219 D N 4.014 124.316 120.400 -0.163 0.000 2.349 219 D HA 0.208 4.848 4.640 0.001 0.000 0.232 219 D C 1.014 177.266 176.300 -0.080 0.000 1.071 219 D CA -0.338 53.664 54.000 0.004 0.000 0.832 219 D CB 1.336 42.292 40.800 0.261 0.000 1.086 219 D HN 0.624 nan 8.370 nan 0.000 0.504 220 T N 0.681 115.206 114.554 -0.048 0.000 3.021 220 T HA -0.010 4.341 4.350 0.001 0.000 0.245 220 T C 1.364 176.056 174.700 -0.013 0.000 1.028 220 T CA 0.077 62.134 62.100 -0.073 0.000 1.139 220 T CB -0.056 68.770 68.868 -0.070 0.000 0.884 220 T HN 0.205 nan 8.240 nan 0.000 0.457 221 E N 2.223 122.450 120.200 0.046 0.000 2.012 221 E HA 0.097 4.447 4.350 0.001 0.000 0.197 221 E C 1.944 178.589 176.600 0.075 0.000 1.007 221 E CA 1.602 58.042 56.400 0.067 0.000 0.816 221 E CB -0.855 28.901 29.700 0.093 0.000 0.762 221 E HN 0.783 nan 8.360 nan 0.000 0.451 222 G N 0.211 109.087 108.800 0.127 0.000 2.200 222 G HA2 -0.184 3.777 3.960 0.001 0.000 0.145 222 G HA3 -0.184 3.777 3.960 0.001 0.000 0.145 222 G C 0.648 175.647 174.900 0.165 0.000 1.021 222 G CA 0.517 45.706 45.100 0.149 0.000 0.720 222 G HN 0.316 nan 8.290 nan 0.000 0.494 223 T N -1.625 113.039 114.554 0.183 0.000 3.287 223 T HA 0.551 4.901 4.350 0.001 0.000 0.253 223 T C 0.149 174.967 174.700 0.196 0.000 0.975 223 T CA -0.548 61.637 62.100 0.141 0.000 0.912 223 T CB -0.176 68.756 68.868 0.106 0.000 1.071 223 T HN 0.521 nan 8.240 nan 0.000 0.578 224 F N 2.610 122.614 119.950 0.090 0.000 2.391 224 F HA 0.605 5.133 4.527 0.001 0.000 0.359 224 F C 0.128 175.840 175.800 -0.146 0.000 1.122 224 F CA -1.397 56.599 58.000 -0.006 0.000 1.120 224 F CB 0.644 39.595 39.000 -0.081 0.000 1.142 224 F HN -0.086 nan 8.300 nan 0.000 0.483 225 R N 7.612 127.690 120.500 -0.704 0.000 2.388 225 R HA 0.286 4.627 4.340 0.001 0.000 0.314 225 R C -2.116 173.771 176.300 -0.690 0.000 0.959 225 R CA -1.866 53.903 56.100 -0.551 0.000 0.851 225 R CB 1.619 31.738 30.300 -0.302 0.000 1.168 225 R HN 0.387 nan 8.270 nan 0.000 0.472 226 P HA -0.117 nan 4.420 nan 0.000 0.214 226 P C 1.272 178.433 177.300 -0.231 0.000 1.162 226 P CA 0.736 63.636 63.100 -0.332 0.000 0.879 226 P CB 0.288 31.911 31.700 -0.128 0.000 0.786 227 V N 0.143 119.950 119.914 -0.179 0.000 2.295 227 V HA -0.345 3.775 4.120 0.001 0.000 0.262 227 V C 2.224 178.240 176.094 -0.129 0.000 1.098 227 V CA 2.304 64.527 62.300 -0.128 0.000 1.095 227 V CB -1.385 30.367 31.823 -0.118 0.000 0.704 227 V HN 0.136 nan 8.190 nan 0.000 0.454 228 R N -0.769 119.619 120.500 -0.186 0.000 2.343 228 R HA 0.146 4.486 4.340 0.001 0.000 0.202 228 R C 1.667 177.898 176.300 -0.113 0.000 1.023 228 R CA 0.334 56.331 56.100 -0.172 0.000 1.084 228 R CB -0.125 30.012 30.300 -0.272 0.000 0.956 228 R HN 0.560 nan 8.270 nan 0.000 0.478 229 L N -1.114 120.065 121.223 -0.073 0.000 2.537 229 L HA 0.016 4.356 4.340 0.001 0.000 0.224 229 L C 2.082 178.964 176.870 0.019 0.000 1.065 229 L CA 0.092 54.933 54.840 0.003 0.000 0.860 229 L CB 0.059 42.129 42.059 0.019 0.000 1.086 229 L HN 0.079 nan 8.230 nan 0.000 0.482 230 V N -2.202 117.709 119.914 -0.005 0.000 2.214 230 V HA -0.309 3.812 4.120 0.001 0.000 0.247 230 V C 2.391 178.497 176.094 0.019 0.000 1.051 230 V CA 2.335 64.638 62.300 0.006 0.000 1.003 230 V CB -1.410 30.406 31.823 -0.011 0.000 0.635 230 V HN 0.415 nan 8.190 nan 0.000 0.447 231 S N 1.360 117.062 115.700 0.004 0.000 2.409 231 S HA -0.224 4.247 4.470 0.001 0.000 0.237 231 S C 1.828 176.451 174.600 0.038 0.000 1.060 231 S CA 2.469 60.674 58.200 0.008 0.000 1.052 231 S CB -0.821 62.376 63.200 -0.005 0.000 0.871 231 S HN 0.719 nan 8.310 nan 0.000 0.465 232 I N 1.450 122.065 120.570 0.074 0.000 2.296 232 I HA -0.044 4.127 4.170 0.001 0.000 0.242 232 I C 2.879 179.133 176.117 0.229 0.000 1.087 232 I CA 0.870 62.266 61.300 0.159 0.000 1.393 232 I CB -0.921 37.180 38.000 0.170 0.000 1.093 232 I HN 0.292 nan 8.210 nan 0.000 0.421 233 A N 0.879 123.792 122.820 0.156 0.000 1.892 233 A HA -0.304 4.017 4.320 0.001 0.000 0.218 233 A C 2.279 179.953 177.584 0.151 0.000 1.188 233 A CA 1.982 54.111 52.037 0.152 0.000 0.631 233 A CB -0.874 18.172 19.000 0.077 0.000 0.822 233 A HN 0.490 nan 8.150 nan 0.000 0.447 234 Q N -1.252 118.598 119.800 0.084 0.000 2.077 234 Q HA -0.261 4.080 4.340 0.001 0.000 0.206 234 Q C 2.356 178.363 176.000 0.013 0.000 0.989 234 Q CA 1.889 57.716 55.803 0.039 0.000 0.853 234 Q CB -0.264 28.479 28.738 0.009 0.000 0.907 234 Q HN 0.705 nan 8.270 nan 0.000 0.418 235 R N -0.286 120.204 120.500 -0.016 0.000 2.185 235 R HA -0.169 4.172 4.340 0.001 0.000 0.247 235 R C 0.676 176.765 176.300 -0.351 0.000 1.159 235 R CA 1.343 57.318 56.100 -0.208 0.000 0.988 235 R CB 0.022 30.151 30.300 -0.284 0.000 0.871 235 R HN 0.213 nan 8.270 nan 0.000 0.458 236 F N -0.690 119.254 119.950 -0.010 0.000 2.683 236 F HA 0.348 4.876 4.527 0.001 0.000 0.306 236 F C 0.556 176.351 175.800 -0.009 0.000 1.102 236 F CA 0.216 58.211 58.000 -0.008 0.000 1.244 236 F CB 1.423 40.421 39.000 -0.003 0.000 1.029 236 F HN 0.118 nan 8.300 nan 0.000 0.545 237 G N 2.229 111.110 108.800 0.134 0.000 2.587 237 G HA2 -0.180 3.781 3.960 0.001 0.000 0.245 237 G HA3 -0.180 3.781 3.960 0.001 0.000 0.245 237 G C -1.022 173.920 174.900 0.069 0.000 0.959 237 G CA -0.391 44.753 45.100 0.074 0.000 1.268 237 G HN 0.316 nan 8.290 nan 0.000 0.448 238 L N 1.776 123.031 121.223 0.053 0.000 2.611 238 L HA 0.284 4.625 4.340 0.001 0.000 0.260 238 L C -0.635 176.249 176.870 0.024 0.000 0.924 238 L CA -1.291 53.571 54.840 0.037 0.000 0.901 238 L CB 1.849 43.933 42.059 0.042 0.000 1.369 238 L HN 0.288 nan 8.230 nan 0.000 0.415 239 D N 4.148 124.555 120.400 0.013 0.000 2.368 239 D HA 0.040 4.681 4.640 0.001 0.000 0.268 239 D C -1.702 174.603 176.300 0.007 0.000 1.298 239 D CA -0.850 53.154 54.000 0.007 0.000 0.938 239 D CB 1.368 42.169 40.800 0.002 0.000 1.101 239 D HN 0.225 nan 8.370 nan 0.000 0.509 240 P HA -0.199 nan 4.420 nan 0.000 0.208 240 P C 1.148 178.449 177.300 0.003 0.000 1.180 240 P CA 1.101 64.206 63.100 0.008 0.000 0.935 240 P CB 0.079 31.782 31.700 0.005 0.000 0.785 241 D N -1.033 119.367 120.400 -0.000 0.000 2.397 241 D HA -0.239 4.402 4.640 0.001 0.000 0.219 241 D C 1.354 177.654 176.300 -0.001 0.000 0.975 241 D CA 1.170 55.170 54.000 -0.001 0.000 0.940 241 D CB -0.789 40.009 40.800 -0.002 0.000 0.884 241 D HN 0.272 nan 8.370 nan 0.000 0.505 242 D N 0.717 121.116 120.400 -0.002 0.000 2.269 242 D HA 0.020 4.661 4.640 0.001 0.000 0.220 242 D C 2.085 178.380 176.300 -0.009 0.000 0.962 242 D CA 1.205 55.201 54.000 -0.006 0.000 0.884 242 D CB 0.084 40.881 40.800 -0.006 0.000 1.023 242 D HN 0.158 nan 8.370 nan 0.000 0.484 243 A N 1.492 124.309 122.820 -0.004 0.000 1.908 243 A HA -0.106 4.215 4.320 0.001 0.000 0.218 243 A C 2.609 180.192 177.584 -0.002 0.000 1.181 243 A CA 1.067 53.100 52.037 -0.006 0.000 0.627 243 A CB -0.819 18.184 19.000 0.006 0.000 0.818 243 A HN 0.354 nan 8.150 nan 0.000 0.445 244 L N -0.423 120.804 121.223 0.006 0.000 2.017 244 L HA -0.179 4.162 4.340 0.001 0.000 0.208 244 L C 2.168 179.045 176.870 0.012 0.000 1.073 244 L CA 1.410 56.259 54.840 0.015 0.000 0.745 244 L CB -0.804 41.262 42.059 0.012 0.000 0.894 244 L HN 0.431 nan 8.230 nan 0.000 0.432 245 N N 0.628 119.330 118.700 0.003 0.000 2.635 245 N HA -0.143 4.598 4.740 0.001 0.000 0.191 245 N C 0.592 176.091 175.510 -0.019 0.000 1.155 245 N CA 0.578 53.627 53.050 -0.001 0.000 0.927 245 N CB -0.147 38.337 38.487 -0.004 0.000 0.976 245 N HN 0.262 nan 8.380 nan 0.000 0.448 246 N N -0.356 118.327 118.700 -0.027 0.000 2.328 246 N HA 0.168 4.909 4.740 0.001 0.000 0.247 246 N C -1.585 173.893 175.510 -0.053 0.000 1.165 246 N CA -0.008 53.002 53.050 -0.066 0.000 0.873 246 N CB 0.656 39.101 38.487 -0.069 0.000 1.125 246 N HN -0.206 nan 8.380 nan 0.000 0.513 247 V N 0.565 120.479 119.914 0.000 0.000 2.610 247 V HA 0.603 4.723 4.120 0.001 0.000 0.298 247 V C -0.731 175.420 176.094 0.095 0.000 1.067 247 V CA -1.252 61.079 62.300 0.051 0.000 0.894 247 V CB 1.557 33.415 31.823 0.058 0.000 1.015 247 V HN 0.176 nan 8.190 nan 0.000 0.432 248 A N 4.845 127.758 122.820 0.155 0.000 2.269 248 A HA 0.682 5.002 4.320 0.001 0.000 0.302 248 A C -1.067 176.588 177.584 0.119 0.000 1.266 248 A CA -0.186 51.938 52.037 0.144 0.000 0.894 248 A CB 0.129 19.233 19.000 0.174 0.000 1.147 248 A HN 0.926 nan 8.150 nan 0.000 0.537 249 Y N 2.734 123.001 120.300 -0.056 0.000 2.328 249 Y HA 0.560 5.111 4.550 0.001 0.000 0.337 249 Y C -0.012 175.831 175.900 -0.094 0.000 1.008 249 Y CA -0.641 57.370 58.100 -0.147 0.000 1.129 249 Y CB 1.247 39.554 38.460 -0.254 0.000 1.185 249 Y HN 0.830 nan 8.280 nan 0.000 0.476 250 A N 6.413 128.733 122.820 -0.834 0.000 2.359 250 A HA 0.688 5.009 4.320 0.001 0.000 0.303 250 A C -1.360 175.653 177.584 -0.952 0.000 1.066 250 A CA -0.948 50.658 52.037 -0.718 0.000 0.730 250 A CB 0.954 19.727 19.000 -0.378 0.000 1.211 250 A HN 0.765 nan 8.150 nan 0.000 0.439 251 R N 2.314 122.345 120.500 -0.782 0.000 2.265 251 R HA 0.680 5.021 4.340 0.001 0.000 0.328 251 R C -0.352 175.599 176.300 -0.581 0.000 0.969 251 R CA 0.253 55.980 56.100 -0.622 0.000 0.832 251 R CB 0.931 30.948 30.300 -0.473 0.000 1.139 251 R HN 0.931 nan 8.270 nan 0.000 0.457 252 A N 4.372 126.894 122.820 -0.496 0.000 2.301 252 A HA 0.378 4.698 4.320 0.001 0.000 0.298 252 A C -0.730 176.705 177.584 -0.248 0.000 1.185 252 A CA -0.530 51.251 52.037 -0.427 0.000 0.830 252 A CB 0.225 19.006 19.000 -0.366 0.000 1.112 252 A HN 0.940 nan 8.150 nan 0.000 0.508 253 Y N 1.055 121.465 120.300 0.184 0.000 2.462 253 Y HA 0.141 4.692 4.550 0.001 0.000 0.253 253 Y C 0.733 176.685 175.900 0.086 0.000 1.095 253 Y CA 0.444 58.619 58.100 0.126 0.000 1.283 253 Y CB 0.474 39.010 38.460 0.127 0.000 1.138 253 Y HN 0.832 nan 8.280 nan 0.000 0.522 254 N N -0.770 118.073 118.700 0.239 0.000 2.369 254 N HA 0.402 5.143 4.740 0.001 0.000 0.287 254 N C 0.425 175.967 175.510 0.053 0.000 1.067 254 N CA -0.005 53.118 53.050 0.122 0.000 0.888 254 N CB 1.446 39.999 38.487 0.109 0.000 1.616 254 N HN 0.012 nan 8.380 nan 0.000 0.482 255 A N 1.699 124.511 122.820 -0.012 0.000 1.984 255 A HA -0.374 3.947 4.320 0.001 0.000 0.224 255 A C 1.606 179.148 177.584 -0.071 0.000 1.256 255 A CA 2.370 54.361 52.037 -0.077 0.000 0.679 255 A CB -1.082 17.874 19.000 -0.074 0.000 0.829 255 A HN 0.912 nan 8.150 nan 0.000 0.483 256 D N -2.025 118.357 120.400 -0.030 0.000 2.087 256 D HA -0.211 4.430 4.640 0.001 0.000 0.210 256 D C 1.734 178.073 176.300 0.064 0.000 0.973 256 D CA 1.366 55.361 54.000 -0.008 0.000 0.882 256 D CB -0.682 40.115 40.800 -0.005 0.000 1.019 256 D HN 0.674 nan 8.370 nan 0.000 0.450 257 H N 0.518 119.584 119.070 -0.006 0.000 2.365 257 H HA -0.275 4.282 4.556 0.001 0.000 0.279 257 H C 2.151 177.486 175.328 0.011 0.000 1.141 257 H CA 2.257 58.313 56.048 0.013 0.000 1.135 257 H CB -0.137 29.650 29.762 0.041 0.000 1.356 257 H HN 0.316 nan 8.280 nan 0.000 0.465 258 Q N -0.284 119.466 119.800 -0.084 0.000 2.325 258 Q HA -0.182 4.159 4.340 0.001 0.000 0.211 258 Q C 2.108 178.158 176.000 0.084 0.000 0.988 258 Q CA 1.543 57.279 55.803 -0.111 0.000 0.887 258 Q CB 0.047 28.659 28.738 -0.210 0.000 0.915 258 Q HN 0.449 nan 8.270 nan 0.000 0.440 259 L N -0.680 120.608 121.223 0.108 0.000 2.362 259 L HA 0.092 4.433 4.340 0.001 0.000 0.204 259 L C 2.027 178.952 176.870 0.092 0.000 1.060 259 L CA 1.130 56.069 54.840 0.165 0.000 0.827 259 L CB -0.228 41.926 42.059 0.158 0.000 1.027 259 L HN -0.056 nan 8.230 nan 0.000 0.474 260 R N -0.649 119.905 120.500 0.091 0.000 2.105 260 R HA -0.122 4.219 4.340 0.001 0.000 0.239 260 R C 2.141 178.484 176.300 0.072 0.000 1.135 260 R CA 1.670 57.828 56.100 0.097 0.000 0.967 260 R CB -0.339 30.053 30.300 0.154 0.000 0.861 260 R HN 0.362 nan 8.270 nan 0.000 0.442 261 L N 0.451 121.692 121.223 0.029 0.000 1.976 261 L HA -0.231 4.110 4.340 0.001 0.000 0.209 261 L C 2.402 179.251 176.870 -0.035 0.000 1.071 261 L CA 1.344 56.165 54.840 -0.032 0.000 0.746 261 L CB -0.646 41.329 42.059 -0.139 0.000 0.890 261 L HN 0.254 nan 8.230 nan 0.000 0.432 262 L N -0.189 121.019 121.223 -0.025 0.000 2.123 262 L HA -0.358 3.982 4.340 0.001 0.000 0.217 262 L C 2.096 178.948 176.870 -0.030 0.000 1.081 262 L CA 1.819 56.628 54.840 -0.052 0.000 0.772 262 L CB -0.641 41.379 42.059 -0.066 0.000 0.890 262 L HN 0.410 nan 8.230 nan 0.000 0.437 263 D N -0.542 119.869 120.400 0.018 0.000 2.085 263 D HA -0.101 4.540 4.640 0.001 0.000 0.199 263 D C 2.154 178.459 176.300 0.008 0.000 0.981 263 D CA 1.229 55.273 54.000 0.074 0.000 0.834 263 D CB -0.020 40.845 40.800 0.110 0.000 0.992 263 D HN 0.243 nan 8.370 nan 0.000 0.457 264 A N 0.195 123.012 122.820 -0.006 0.000 2.148 264 A HA -0.113 4.208 4.320 0.001 0.000 0.222 264 A C 2.023 179.525 177.584 -0.137 0.000 1.161 264 A CA 1.957 53.958 52.037 -0.060 0.000 0.662 264 A CB -0.765 18.222 19.000 -0.022 0.000 0.799 264 A HN 0.311 nan 8.150 nan 0.000 0.466 265 A N -1.630 121.097 122.820 -0.155 0.000 2.275 265 A HA 0.589 4.910 4.320 0.001 0.000 0.212 265 A C 1.908 179.296 177.584 -0.328 0.000 1.201 265 A CA 1.060 52.946 52.037 -0.251 0.000 0.843 265 A CB -0.358 18.500 19.000 -0.236 0.000 0.873 265 A HN 0.848 nan 8.150 nan 0.000 0.492 266 A N -1.134 121.526 122.820 -0.267 0.000 1.993 266 A HA 0.127 4.448 4.320 0.001 0.000 0.207 266 A C 1.927 179.280 177.584 -0.385 0.000 1.224 266 A CA 1.132 53.030 52.037 -0.231 0.000 0.749 266 A CB -0.273 18.728 19.000 0.001 0.000 0.884 266 A HN 0.369 nan 8.150 nan 0.000 0.467 267 Q N -0.206 119.280 119.800 -0.523 0.000 2.248 267 Q HA -0.132 4.209 4.340 0.001 0.000 0.208 267 Q C 1.800 177.658 176.000 -0.237 0.000 0.984 267 Q CA 2.036 57.595 55.803 -0.406 0.000 0.875 267 Q CB -0.495 28.078 28.738 -0.275 0.000 0.910 267 Q HN 0.737 nan 8.270 nan 0.000 0.433 268 M N -1.758 117.678 119.600 -0.274 0.000 2.240 268 M HA 0.018 4.499 4.480 0.001 0.000 0.257 268 M C 1.864 178.011 176.300 -0.254 0.000 1.107 268 M CA 0.961 56.132 55.300 -0.214 0.000 1.169 268 M CB -0.166 32.270 32.600 -0.272 0.000 1.307 268 M HN 0.150 nan 8.290 nan 0.000 0.447 269 M N -0.117 119.106 119.600 -0.629 0.000 2.617 269 M HA -0.175 4.305 4.480 0.001 0.000 0.258 269 M C 2.055 177.990 176.300 -0.609 0.000 1.067 269 M CA 0.949 55.787 55.300 -0.769 0.000 1.057 269 M CB -0.678 31.035 32.600 -1.479 0.000 1.397 269 M HN 0.329 nan 8.290 nan 0.000 0.499 270 S N 0.277 115.804 115.700 -0.289 0.000 2.371 270 S HA -0.063 4.408 4.470 0.001 0.000 0.219 270 S C 1.751 176.361 174.600 0.017 0.000 1.040 270 S CA 0.552 58.755 58.200 0.005 0.000 0.958 270 S CB 0.148 63.374 63.200 0.043 0.000 0.860 270 S HN 0.387 nan 8.310 nan 0.000 0.487 271 E N 1.527 121.723 120.200 -0.007 0.000 2.012 271 E HA -0.031 4.319 4.350 0.001 0.000 0.197 271 E C 1.387 178.008 176.600 0.035 0.000 1.007 271 E CA 0.975 57.387 56.400 0.020 0.000 0.816 271 E CB -0.800 28.911 29.700 0.018 0.000 0.762 271 E HN 0.460 nan 8.360 nan 0.000 0.451 272 S N -0.349 115.388 115.700 0.061 0.000 2.767 272 S HA 0.366 4.836 4.470 0.001 0.000 0.300 272 S C -0.135 174.509 174.600 0.073 0.000 1.123 272 S CA -0.788 57.437 58.200 0.041 0.000 0.992 272 S CB 1.610 64.802 63.200 -0.013 0.000 1.138 272 S HN 0.075 nan 8.310 nan 0.000 0.550 273 R N 1.525 122.022 120.500 -0.005 0.000 2.229 273 R HA 0.413 4.754 4.340 0.001 0.000 0.332 273 R C -1.738 174.527 176.300 -0.058 0.000 0.989 273 R CA -0.270 55.845 56.100 0.025 0.000 0.842 273 R CB 0.032 30.341 30.300 0.015 0.000 1.119 273 R HN 0.550 nan 8.270 nan 0.000 0.456 274 F N 1.474 121.369 119.950 -0.092 0.000 2.483 274 F HA 0.424 4.952 4.527 0.001 0.000 0.329 274 F C 1.412 177.185 175.800 -0.045 0.000 1.064 274 F CA -0.059 57.893 58.000 -0.079 0.000 0.986 274 F CB 2.127 41.054 39.000 -0.122 0.000 1.218 274 F HN 0.722 nan 8.300 nan 0.000 0.484 275 S N 1.102 116.871 115.700 0.116 0.000 2.524 275 S HA 0.498 4.969 4.470 0.001 0.000 0.222 275 S C -0.102 174.539 174.600 0.068 0.000 1.040 275 S CA 0.060 58.300 58.200 0.066 0.000 0.915 275 S CB 0.272 63.480 63.200 0.014 0.000 0.831 275 S HN 0.556 nan 8.310 nan 0.000 0.492 276 L N 0.226 121.504 121.223 0.090 0.000 2.545 276 L HA 0.681 5.021 4.340 0.001 0.000 0.258 276 L C -2.272 174.633 176.870 0.059 0.000 0.942 276 L CA -0.867 54.009 54.840 0.060 0.000 0.855 276 L CB 1.754 43.834 42.059 0.034 0.000 1.374 276 L HN 0.094 nan 8.230 nan 0.000 0.411 277 I N 4.022 124.596 120.570 0.007 0.000 2.493 277 I HA 0.610 4.781 4.170 0.001 0.000 0.298 277 I C -0.930 175.140 176.117 -0.078 0.000 0.998 277 I CA -1.063 60.214 61.300 -0.039 0.000 1.137 277 I CB 2.087 40.045 38.000 -0.071 0.000 1.310 277 I HN 0.348 nan 8.210 nan 0.000 0.445 278 V N 6.457 126.283 119.914 -0.146 0.000 2.524 278 V HA 0.298 4.419 4.120 0.001 0.000 0.297 278 V C -0.410 175.472 176.094 -0.354 0.000 1.035 278 V CA -0.571 61.572 62.300 -0.262 0.000 0.867 278 V CB 2.258 33.838 31.823 -0.404 0.000 1.004 278 V HN 0.402 nan 8.190 nan 0.000 0.426 279 V N 3.777 123.562 119.914 -0.216 0.000 2.370 279 V HA 0.610 4.731 4.120 0.001 0.000 0.283 279 V C -0.650 175.345 176.094 -0.165 0.000 1.023 279 V CA -0.373 61.833 62.300 -0.158 0.000 0.857 279 V CB 1.793 33.630 31.823 0.024 0.000 0.985 279 V HN 0.978 nan 8.190 nan 0.000 0.443 280 D N 3.199 123.485 120.400 -0.189 0.000 2.479 280 D HA 0.405 5.046 4.640 0.001 0.000 0.246 280 D C -0.800 175.481 176.300 -0.031 0.000 1.336 280 D CA -0.067 53.872 54.000 -0.102 0.000 0.967 280 D CB 1.953 42.685 40.800 -0.114 0.000 1.275 280 D HN 0.529 nan 8.370 nan 0.000 0.577 281 S N 3.090 118.784 115.700 -0.011 0.000 2.473 281 S HA 0.330 4.801 4.470 0.001 0.000 0.307 281 S C 1.048 175.607 174.600 -0.069 0.000 1.094 281 S CA -0.734 57.455 58.200 -0.019 0.000 1.070 281 S CB 1.630 64.850 63.200 0.033 0.000 1.019 281 S HN 0.256 nan 8.310 nan 0.000 0.480 282 V N 4.277 124.146 119.914 -0.076 0.000 2.392 282 V HA -0.211 3.910 4.120 0.001 0.000 0.249 282 V C 2.937 178.904 176.094 -0.212 0.000 1.059 282 V CA 2.851 65.062 62.300 -0.149 0.000 1.051 282 V CB -0.942 30.868 31.823 -0.022 0.000 0.658 282 V HN 1.006 nan 8.190 nan 0.000 0.455 283 M N -0.821 118.686 119.600 -0.155 0.000 2.776 283 M HA 0.398 4.879 4.480 0.001 0.000 0.233 283 M C 1.896 178.138 176.300 -0.098 0.000 1.078 283 M CA 1.557 56.737 55.300 -0.201 0.000 1.058 283 M CB -2.066 30.445 32.600 -0.148 0.000 1.611 283 M HN 0.476 nan 8.290 nan 0.000 0.541 284 A N -0.190 122.578 122.820 -0.088 0.000 2.015 284 A HA 0.089 4.409 4.320 0.001 0.000 0.219 284 A C 2.028 179.589 177.584 -0.038 0.000 1.163 284 A CA 1.196 53.212 52.037 -0.036 0.000 0.646 284 A CB -0.408 18.556 19.000 -0.059 0.000 0.806 284 A HN 0.615 nan 8.150 nan 0.000 0.448 285 L N -1.169 119.975 121.223 -0.131 0.000 2.351 285 L HA -0.196 4.144 4.340 0.001 0.000 0.220 285 L C 1.764 178.690 176.870 0.094 0.000 1.127 285 L CA 1.759 56.537 54.840 -0.103 0.000 0.786 285 L CB -1.202 40.721 42.059 -0.227 0.000 0.914 285 L HN 0.643 nan 8.230 nan 0.000 0.443 286 Y N -0.605 119.678 120.300 -0.028 0.000 2.497 286 Y HA 0.027 4.577 4.550 0.001 0.000 0.265 286 Y C 1.839 177.739 175.900 0.000 0.000 1.111 286 Y CA -0.308 57.786 58.100 -0.010 0.000 1.288 286 Y CB 0.217 38.668 38.460 -0.015 0.000 1.082 286 Y HN 0.138 nan 8.280 nan 0.000 0.536 287 R N 0.948 121.541 120.500 0.156 0.000 2.827 287 R HA -0.001 4.340 4.340 0.001 0.000 0.269 287 R C 1.121 177.464 176.300 0.072 0.000 1.048 287 R CA 0.612 56.769 56.100 0.095 0.000 1.173 287 R CB -1.007 29.338 30.300 0.075 0.000 1.070 287 R HN 0.273 nan 8.270 nan 0.000 0.498 288 T N -1.400 113.184 114.554 0.050 0.000 3.584 288 T HA 0.149 4.500 4.350 0.001 0.000 0.252 288 T C -0.058 174.664 174.700 0.036 0.000 1.103 288 T CA 0.411 62.533 62.100 0.038 0.000 0.977 288 T CB -1.123 67.760 68.868 0.026 0.000 1.044 288 T HN 0.858 nan 8.240 nan 0.000 0.589 296 L N 1.413 122.599 121.223 -0.061 0.000 3.296 296 L HA -0.394 3.946 4.340 0.001 0.000 0.220 296 L C 2.220 179.048 176.870 -0.071 0.000 3.813 296 L CA 4.803 59.576 54.840 -0.111 0.000 0.928 296 L CB -1.725 40.257 42.059 -0.129 0.000 2.983 296 L HN 1.347 nan 8.230 nan 0.000 0.463 297 S N -1.085 114.577 115.700 -0.064 0.000 2.264 297 S HA -0.431 4.040 4.470 0.001 0.000 0.361 297 S C 1.922 176.483 174.600 -0.065 0.000 1.089 297 S CA 3.853 62.020 58.200 -0.055 0.000 1.906 297 S CB -1.467 61.706 63.200 -0.046 0.000 1.538 297 S HN 1.424 nan 8.310 nan 0.000 0.491 298 A N 2.071 124.852 122.820 -0.065 0.000 1.906 298 A HA -0.321 4.000 4.320 0.001 0.000 0.222 298 A C 2.223 179.702 177.584 -0.175 0.000 1.282 298 A CA 2.645 54.612 52.037 -0.116 0.000 0.675 298 A CB -1.230 17.782 19.000 0.020 0.000 0.838 298 A HN 0.782 nan 8.150 nan 0.000 0.469 299 R N -1.624 118.895 120.500 0.032 0.000 2.097 299 R HA -0.200 4.141 4.340 0.001 0.000 0.236 299 R C 2.840 179.260 176.300 0.200 0.000 1.135 299 R CA 2.263 58.471 56.100 0.178 0.000 0.934 299 R CB -1.017 29.410 30.300 0.211 0.000 0.846 299 R HN 0.773 nan 8.270 nan 0.000 0.431 300 Q N 0.258 120.187 119.800 0.216 0.000 2.242 300 Q HA -0.287 4.053 4.340 0.001 0.000 0.211 300 Q C 2.265 178.278 176.000 0.023 0.000 0.992 300 Q CA 3.016 58.942 55.803 0.206 0.000 0.889 300 Q CB -1.227 27.568 28.738 0.095 0.000 0.913 300 Q HN 0.622 nan 8.270 nan 0.000 0.422 301 M N -0.441 119.096 119.600 -0.106 0.000 2.236 301 M HA 0.004 4.484 4.480 0.001 0.000 0.266 301 M C 2.139 178.328 176.300 -0.186 0.000 1.070 301 M CA 1.854 57.046 55.300 -0.179 0.000 1.137 301 M CB -1.214 31.241 32.600 -0.241 0.000 1.378 301 M HN 0.814 nan 8.290 nan 0.000 0.426 302 H N 0.095 119.192 119.070 0.044 0.000 2.389 302 H HA -0.038 4.519 4.556 0.001 0.000 0.299 302 H C 2.152 177.505 175.328 0.042 0.000 1.081 302 H CA 2.033 58.106 56.048 0.041 0.000 1.345 302 H CB -0.596 29.183 29.762 0.028 0.000 1.393 302 H HN 0.543 nan 8.280 nan 0.000 0.520 303 L N 1.040 122.312 121.223 0.082 0.000 2.191 303 L HA -0.016 4.324 4.340 0.001 0.000 0.212 303 L C 2.334 179.240 176.870 0.060 0.000 1.103 303 L CA 1.485 56.334 54.840 0.014 0.000 0.769 303 L CB -0.612 41.360 42.059 -0.145 0.000 0.908 303 L HN 0.159 nan 8.230 nan 0.000 0.438 304 A N -0.429 122.411 122.820 0.034 0.000 1.840 304 A HA -0.201 4.120 4.320 0.001 0.000 0.214 304 A C 2.388 180.012 177.584 0.067 0.000 1.198 304 A CA 1.489 53.544 52.037 0.029 0.000 0.608 304 A CB -0.655 18.337 19.000 -0.014 0.000 0.839 304 A HN 0.423 nan 8.150 nan 0.000 0.443 305 K N -1.819 118.630 120.400 0.081 0.000 2.242 305 K HA -0.221 4.099 4.320 0.001 0.000 0.206 305 K C 1.518 178.189 176.600 0.118 0.000 1.045 305 K CA 1.846 58.188 56.287 0.092 0.000 0.930 305 K CB -0.275 32.300 32.500 0.125 0.000 0.726 305 K HN 0.504 nan 8.250 nan 0.000 0.462 306 F N 0.264 120.217 119.950 0.004 0.000 2.138 306 F HA -0.081 4.447 4.527 0.001 0.000 0.283 306 F C 1.995 177.779 175.800 -0.027 0.000 1.100 306 F CA 0.757 58.749 58.000 -0.012 0.000 1.189 306 F CB -0.229 38.759 39.000 -0.020 0.000 1.060 306 F HN -0.125 nan 8.300 nan 0.000 0.492 307 M N 1.503 121.179 119.600 0.127 0.000 2.201 307 M HA -0.292 4.189 4.480 0.001 0.000 0.251 307 M C 2.188 178.432 176.300 -0.094 0.000 1.090 307 M CA 2.159 57.450 55.300 -0.015 0.000 1.063 307 M CB -1.620 31.007 32.600 0.044 0.000 1.360 307 M HN 0.395 nan 8.290 nan 0.000 0.401 308 R N 0.295 120.756 120.500 -0.066 0.000 2.056 308 R HA 0.023 4.364 4.340 0.001 0.000 0.227 308 R C 2.271 178.501 176.300 -0.117 0.000 1.149 308 R CA 1.576 57.634 56.100 -0.070 0.000 0.937 308 R CB -1.040 29.237 30.300 -0.039 0.000 0.835 308 R HN 0.176 nan 8.270 nan 0.000 0.430 309 A N 2.201 124.937 122.820 -0.140 0.000 1.915 309 A HA -0.197 4.124 4.320 0.001 0.000 0.220 309 A C 2.452 179.906 177.584 -0.216 0.000 1.198 309 A CA 1.980 53.916 52.037 -0.168 0.000 0.647 309 A CB -0.923 17.963 19.000 -0.192 0.000 0.825 309 A HN 0.406 nan 8.150 nan 0.000 0.456 310 L N -1.243 119.770 121.223 -0.349 0.000 1.978 310 L HA -0.325 4.016 4.340 0.001 0.000 0.218 310 L C 2.959 179.735 176.870 -0.157 0.000 1.075 310 L CA 2.211 56.875 54.840 -0.294 0.000 0.767 310 L CB -0.681 41.168 42.059 -0.351 0.000 0.890 310 L HN 0.600 nan 8.230 nan 0.000 0.434 311 Q N 0.405 120.125 119.800 -0.133 0.000 2.061 311 Q HA -0.230 4.110 4.340 0.001 0.000 0.204 311 Q C 2.138 178.082 176.000 -0.093 0.000 0.984 311 Q CA 1.745 57.493 55.803 -0.091 0.000 0.846 311 Q CB -0.231 28.459 28.738 -0.080 0.000 0.902 311 Q HN 0.221 nan 8.270 nan 0.000 0.421 312 R N -0.507 119.932 120.500 -0.102 0.000 2.132 312 R HA -0.170 4.171 4.340 0.001 0.000 0.233 312 R C 2.453 178.705 176.300 -0.079 0.000 1.125 312 R CA 2.059 58.101 56.100 -0.097 0.000 0.914 312 R CB -0.817 29.436 30.300 -0.078 0.000 0.845 312 R HN 0.376 nan 8.270 nan 0.000 0.431 313 L N 0.126 121.319 121.223 -0.050 0.000 2.123 313 L HA -0.326 4.015 4.340 0.001 0.000 0.217 313 L C 2.624 179.524 176.870 0.049 0.000 1.081 313 L CA 1.577 56.433 54.840 0.025 0.000 0.772 313 L CB -0.655 41.443 42.059 0.066 0.000 0.890 313 L HN 0.426 nan 8.230 nan 0.000 0.437 314 A N -0.402 122.418 122.820 0.001 0.000 1.902 314 A HA -0.227 4.094 4.320 0.001 0.000 0.217 314 A C 1.953 179.531 177.584 -0.009 0.000 1.181 314 A CA 1.965 54.008 52.037 0.010 0.000 0.623 314 A CB -0.458 18.534 19.000 -0.015 0.000 0.818 314 A HN 0.407 nan 8.150 nan 0.000 0.443 315 D N -0.730 119.632 120.400 -0.063 0.000 2.078 315 D HA -0.201 4.440 4.640 0.001 0.000 0.193 315 D C 2.060 178.332 176.300 -0.046 0.000 0.990 315 D CA 1.715 55.660 54.000 -0.091 0.000 0.827 315 D CB -0.599 40.066 40.800 -0.226 0.000 0.975 315 D HN 0.632 nan 8.370 nan 0.000 0.451 316 Q N -1.110 118.622 119.800 -0.114 0.000 2.133 316 Q HA -0.181 4.160 4.340 0.001 0.000 0.208 316 Q C 1.062 176.758 176.000 -0.506 0.000 0.991 316 Q CA 1.520 57.121 55.803 -0.338 0.000 0.867 316 Q CB 0.029 28.439 28.738 -0.545 0.000 0.911 316 Q HN 0.229 nan 8.270 nan 0.000 0.417 317 F N -3.070 116.903 119.950 0.037 0.000 2.817 317 F HA 0.338 4.866 4.527 0.001 0.000 0.333 317 F C 1.268 177.088 175.800 0.034 0.000 1.085 317 F CA 0.440 58.458 58.000 0.031 0.000 1.170 317 F CB 1.215 40.220 39.000 0.009 0.000 1.066 317 F HN 0.156 nan 8.300 nan 0.000 0.564 318 G N 0.687 109.577 108.800 0.151 0.000 2.234 318 G HA2 -0.323 3.637 3.960 0.001 0.000 0.260 318 G HA3 -0.323 3.637 3.960 0.001 0.000 0.260 318 G C 0.677 175.636 174.900 0.098 0.000 0.987 318 G CA 0.325 45.488 45.100 0.104 0.000 0.625 318 G HN 0.523 nan 8.290 nan 0.000 0.532 319 V N -0.920 119.073 119.914 0.131 0.000 4.056 319 V HA 0.545 4.665 4.120 0.001 0.000 0.293 319 V C 0.806 176.932 176.094 0.052 0.000 1.051 319 V CA 0.700 63.055 62.300 0.092 0.000 1.099 319 V CB 0.683 32.559 31.823 0.088 0.000 1.176 319 V HN 2.120 nan 8.190 nan 0.000 0.469 320 A N 0.311 123.153 122.820 0.037 0.000 2.332 320 A HA 0.727 5.047 4.320 0.001 0.000 0.300 320 A C -0.776 176.811 177.584 0.005 0.000 1.153 320 A CA -0.520 51.528 52.037 0.019 0.000 0.764 320 A CB 1.342 20.352 19.000 0.016 0.000 1.174 320 A HN 1.137 nan 8.150 nan 0.000 0.467 321 V N 3.215 123.125 119.914 -0.006 0.000 2.370 321 V HA 0.457 4.577 4.120 0.001 0.000 0.279 321 V C -0.354 175.729 176.094 -0.018 0.000 1.029 321 V CA -0.374 61.912 62.300 -0.024 0.000 0.870 321 V CB 1.451 33.251 31.823 -0.039 0.000 0.984 321 V HN 0.628 nan 8.190 nan 0.000 0.451 322 V N 6.089 125.984 119.914 -0.031 0.000 2.407 322 V HA 0.498 4.619 4.120 0.001 0.000 0.291 322 V C -0.368 175.698 176.094 -0.047 0.000 1.018 322 V CA -0.482 61.801 62.300 -0.028 0.000 0.842 322 V CB 2.042 33.843 31.823 -0.037 0.000 0.996 322 V HN 0.595 nan 8.190 nan 0.000 0.426 323 V N 4.234 124.138 119.914 -0.017 0.000 2.540 323 V HA 0.567 4.688 4.120 0.001 0.000 0.302 323 V C 0.333 176.426 176.094 -0.002 0.000 1.035 323 V CA -0.510 61.785 62.300 -0.009 0.000 0.873 323 V CB 2.461 34.301 31.823 0.028 0.000 0.992 323 V HN 0.977 nan 8.190 nan 0.000 0.428 324 T N 1.517 116.060 114.554 -0.019 0.000 2.907 324 T HA 0.480 4.831 4.350 0.001 0.000 0.284 324 T C -0.371 174.345 174.700 0.027 0.000 1.004 324 T CA -0.696 61.404 62.100 -0.000 0.000 1.063 324 T CB 1.258 70.120 68.868 -0.010 0.000 0.992 324 T HN 0.706 nan 8.240 nan 0.000 0.483 325 N N 1.700 120.441 118.700 0.068 0.000 2.410 325 N HA 0.156 4.897 4.740 0.001 0.000 0.287 325 N C -1.107 174.449 175.510 0.077 0.000 1.044 325 N CA -0.628 52.457 53.050 0.059 0.000 0.881 325 N CB 1.210 39.733 38.487 0.060 0.000 1.405 325 N HN 0.567 nan 8.380 nan 0.000 0.490 326 Q N 2.974 122.779 119.800 0.008 0.000 2.314 326 Q HA 0.203 4.544 4.340 0.001 0.000 0.259 326 Q C 1.005 176.892 176.000 -0.188 0.000 0.951 326 Q CA -0.511 55.230 55.803 -0.104 0.000 0.909 326 Q CB 2.569 31.219 28.738 -0.147 0.000 1.236 326 Q HN 0.462 nan 8.270 nan 0.000 0.444 327 V N 1.838 121.652 119.914 -0.168 0.000 2.548 327 V HA -0.105 4.016 4.120 0.001 0.000 0.249 327 V C 0.992 176.932 176.094 -0.256 0.000 1.055 327 V CA 0.719 62.941 62.300 -0.130 0.000 1.065 327 V CB -0.386 31.422 31.823 -0.024 0.000 0.681 327 V HN 0.696 nan 8.190 nan 0.000 0.462 346 G N 1.280 110.184 108.800 0.174 0.000 2.806 346 G HA2 0.150 4.111 3.960 0.001 0.000 0.214 346 G HA3 0.150 4.111 3.960 0.001 0.000 0.214 346 G C 1.878 176.875 174.900 0.162 0.000 1.331 346 G CA 1.743 47.074 45.100 0.385 0.000 0.807 346 G HN 1.363 nan 8.290 nan 0.000 0.644 347 G N 0.018 108.861 108.800 0.070 0.000 2.586 347 G HA2 -0.138 3.823 3.960 0.001 0.000 0.215 347 G HA3 -0.138 3.823 3.960 0.001 0.000 0.215 347 G C 1.656 176.544 174.900 -0.019 0.000 1.128 347 G CA 1.080 46.155 45.100 -0.041 0.000 0.774 347 G HN 0.377 nan 8.290 nan 0.000 0.543 348 N N 0.562 119.287 118.700 0.041 0.000 2.245 348 N HA 0.046 4.786 4.740 0.001 0.000 0.185 348 N C 2.243 177.810 175.510 0.095 0.000 1.036 348 N CA 0.264 53.386 53.050 0.120 0.000 0.857 348 N CB -0.307 38.270 38.487 0.149 0.000 1.015 348 N HN 0.254 nan 8.380 nan 0.000 0.436 349 I N 1.309 121.850 120.570 -0.047 0.000 2.285 349 I HA -0.348 3.823 4.170 0.001 0.000 0.253 349 I C 2.033 178.137 176.117 -0.022 0.000 1.104 349 I CA 0.979 62.212 61.300 -0.111 0.000 1.372 349 I CB -0.152 37.802 38.000 -0.078 0.000 1.057 349 I HN 0.149 nan 8.210 nan 0.000 0.431 350 M N 0.126 119.721 119.600 -0.007 0.000 2.494 350 M HA -0.154 4.327 4.480 0.001 0.000 0.270 350 M C 2.671 179.002 176.300 0.052 0.000 1.092 350 M CA 1.975 57.274 55.300 -0.002 0.000 1.085 350 M CB -1.655 30.910 32.600 -0.058 0.000 1.211 350 M HN 0.312 nan 8.290 nan 0.000 0.481 351 A N 0.253 123.093 122.820 0.033 0.000 1.836 351 A HA -0.335 3.986 4.320 0.001 0.000 0.269 351 A C 1.847 179.481 177.584 0.083 0.000 2.597 351 A CA 3.063 55.129 52.037 0.048 0.000 0.810 351 A CB -1.901 17.123 19.000 0.040 0.000 0.833 351 A HN 0.724 nan 8.150 nan 0.000 0.542 352 H N -0.144 118.914 119.070 -0.021 0.000 2.293 352 H HA -0.031 4.526 4.556 0.001 0.000 0.300 352 H C 2.684 178.005 175.328 -0.012 0.000 1.082 352 H CA 2.055 58.094 56.048 -0.014 0.000 1.308 352 H CB -0.673 29.081 29.762 -0.013 0.000 1.375 352 H HN 0.732 nan 8.280 nan 0.000 0.495 353 S N 0.325 116.104 115.700 0.130 0.000 2.562 353 S HA 0.021 4.491 4.470 0.001 0.000 0.221 353 S C 0.921 175.542 174.600 0.035 0.000 0.975 353 S CA 0.051 58.286 58.200 0.058 0.000 0.918 353 S CB -0.265 62.953 63.200 0.030 0.000 0.772 353 S HN 0.394 nan 8.310 nan 0.000 0.531 354 S N 0.940 116.665 115.700 0.042 0.000 2.565 354 S HA 0.519 4.990 4.470 0.001 0.000 0.290 354 S C 0.865 175.487 174.600 0.037 0.000 1.150 354 S CA -0.054 58.167 58.200 0.037 0.000 1.058 354 S CB 1.504 64.732 63.200 0.047 0.000 1.032 354 S HN 0.406 nan 8.310 nan 0.000 0.510 355 T N -1.043 113.532 114.554 0.036 0.000 3.031 355 T HA 0.206 4.557 4.350 0.001 0.000 0.254 355 T C 0.436 175.163 174.700 0.045 0.000 1.060 355 T CA 0.373 62.494 62.100 0.034 0.000 1.135 355 T CB -0.372 68.513 68.868 0.029 0.000 0.896 355 T HN 0.655 nan 8.240 nan 0.000 0.472 356 T N 2.530 117.119 114.554 0.057 0.000 2.890 356 T HA 0.571 4.922 4.350 0.001 0.000 0.295 356 T C -0.974 173.795 174.700 0.115 0.000 0.993 356 T CA -0.807 61.337 62.100 0.074 0.000 0.979 356 T CB 1.708 70.615 68.868 0.065 0.000 0.967 356 T HN 0.297 nan 8.240 nan 0.000 0.441 357 R N 2.606 123.194 120.500 0.146 0.000 2.514 357 R HA 0.768 5.109 4.340 0.001 0.000 0.301 357 R C -1.035 175.428 176.300 0.272 0.000 0.962 357 R CA -0.870 55.385 56.100 0.257 0.000 0.882 357 R CB 1.673 32.163 30.300 0.317 0.000 1.143 357 R HN 0.449 nan 8.270 nan 0.000 0.452 358 L N 1.570 122.960 121.223 0.279 0.000 2.406 358 L HA 0.496 4.837 4.340 0.001 0.000 0.272 358 L C 0.022 176.757 176.870 -0.225 0.000 0.980 358 L CA -0.752 54.156 54.840 0.113 0.000 0.831 358 L CB 2.355 44.552 42.059 0.231 0.000 1.253 358 L HN 0.813 nan 8.230 nan 0.000 0.406 359 G N 2.429 110.930 108.800 -0.499 0.000 2.335 359 G HA2 0.645 4.606 3.960 0.001 0.000 0.316 359 G HA3 0.645 4.606 3.960 0.001 0.000 0.316 359 G C -1.218 173.501 174.900 -0.301 0.000 1.129 359 G CA -0.157 44.393 45.100 -0.917 0.000 0.899 359 G HN 0.217 nan 8.290 nan 0.000 0.448 360 F N 0.893 120.595 119.950 -0.413 0.000 2.495 360 F HA 0.613 5.140 4.527 0.001 0.000 0.327 360 F C 0.512 176.256 175.800 -0.092 0.000 1.103 360 F CA -0.813 57.101 58.000 -0.143 0.000 0.949 360 F CB 2.736 41.716 39.000 -0.034 0.000 1.142 360 F HN 0.223 nan 8.300 nan 0.000 0.457 361 K N 1.324 121.757 120.400 0.054 0.000 2.477 361 K HA 0.379 4.700 4.320 0.001 0.000 0.255 361 K C -1.126 175.461 176.600 -0.022 0.000 0.952 361 K CA -1.224 55.068 56.287 0.008 0.000 0.826 361 K CB 2.911 35.393 32.500 -0.030 0.000 1.331 361 K HN 0.434 nan 8.250 nan 0.000 0.437 362 K N 1.286 121.678 120.400 -0.013 0.000 2.248 362 K HA 0.276 4.597 4.320 0.001 0.000 0.281 362 K C -0.003 176.559 176.600 -0.064 0.000 1.054 362 K CA -0.321 55.949 56.287 -0.028 0.000 0.903 362 K CB 0.899 33.402 32.500 0.005 0.000 1.077 362 K HN 0.800 nan 8.250 nan 0.000 0.474 363 G N 1.952 110.684 108.800 -0.113 0.000 2.516 363 G HA2 0.295 4.256 3.960 0.001 0.000 0.276 363 G HA3 0.295 4.256 3.960 0.001 0.000 0.276 363 G C -0.747 174.103 174.900 -0.085 0.000 1.390 363 G CA -0.528 44.499 45.100 -0.122 0.000 1.050 363 G HN 0.671 nan 8.290 nan 0.000 0.519 364 K N -0.756 119.597 120.400 -0.079 0.000 2.262 364 K HA 0.630 4.950 4.320 0.001 0.000 0.282 364 K C 1.083 177.645 176.600 -0.063 0.000 1.066 364 K CA 0.666 56.919 56.287 -0.057 0.000 0.901 364 K CB 0.215 32.689 32.500 -0.045 0.000 1.089 364 K HN 2.383 nan 8.250 nan 0.000 0.476 365 G N 0.383 109.151 108.800 -0.053 0.000 4.269 365 G HA2 -0.344 3.617 3.960 0.001 0.000 0.290 365 G HA3 -0.344 3.617 3.960 0.001 0.000 0.290 365 G C 1.469 176.328 174.900 -0.069 0.000 1.570 365 G CA 1.185 46.252 45.100 -0.055 0.000 1.072 365 G HN 2.130 nan 8.290 nan 0.000 0.681 366 C N 0.627 119.866 119.300 -0.101 0.000 3.255 366 C HA 0.857 5.317 4.460 0.001 0.000 0.282 366 C C 1.059 175.947 174.990 -0.170 0.000 1.441 366 C CA 1.050 59.987 59.018 -0.135 0.000 1.785 366 C CB -0.617 27.011 27.740 -0.186 0.000 2.583 366 C HN 1.633 nan 8.230 nan 0.000 0.615 367 Q N 1.174 120.879 119.800 -0.159 0.000 2.317 367 Q HA 0.828 5.168 4.340 0.001 0.000 0.229 367 Q C -0.213 175.617 176.000 -0.284 0.000 0.984 367 Q CA 0.081 55.767 55.803 -0.196 0.000 0.911 367 Q CB 0.430 29.084 28.738 -0.139 0.000 1.217 367 Q HN 0.722 nan 8.270 nan 0.000 0.501 368 R N 0.497 120.695 120.500 -0.502 0.000 2.572 368 R HA 0.324 4.665 4.340 0.001 0.000 0.273 368 R C -1.487 174.365 176.300 -0.746 0.000 1.168 368 R CA -0.830 54.887 56.100 -0.637 0.000 1.021 368 R CB 0.764 30.545 30.300 -0.865 0.000 1.249 368 R HN 0.666 nan 8.270 nan 0.000 0.423 369 L N 1.665 122.649 121.223 -0.398 0.000 2.475 369 L HA 0.479 4.820 4.340 0.001 0.000 0.250 369 L C -0.121 176.566 176.870 -0.306 0.000 1.224 369 L CA 0.219 54.887 54.840 -0.287 0.000 0.821 369 L CB 0.918 42.878 42.059 -0.166 0.000 1.141 369 L HN 0.838 nan 8.230 nan 0.000 0.494 370 C N 3.169 122.327 119.300 -0.237 0.000 3.181 370 C HA 0.300 4.760 4.460 0.001 0.000 0.414 370 C C -0.712 174.146 174.990 -0.220 0.000 1.016 370 C CA -1.260 57.555 59.018 -0.338 0.000 1.287 370 C CB -0.264 27.185 27.740 -0.485 0.000 1.665 370 C HN 0.955 nan 8.230 nan 0.000 0.549 371 K N 3.589 123.878 120.400 -0.185 0.000 2.090 371 K HA 0.751 5.071 4.320 0.001 0.000 0.250 371 K C -0.473 176.081 176.600 -0.077 0.000 1.004 371 K CA -0.493 55.736 56.287 -0.097 0.000 0.919 371 K CB 1.408 33.879 32.500 -0.050 0.000 1.045 371 K HN 0.616 nan 8.250 nan 0.000 0.471 372 V N 3.979 123.882 119.914 -0.019 0.000 2.220 372 V HA 0.109 4.230 4.120 0.001 0.000 0.265 372 V C -0.478 175.646 176.094 0.049 0.000 1.078 372 V CA -0.727 61.584 62.300 0.019 0.000 0.872 372 V CB 0.838 32.670 31.823 0.016 0.000 1.121 372 V HN 0.507 nan 8.190 nan 0.000 0.460 373 V N 4.752 124.720 119.914 0.091 0.000 2.427 373 V HA 0.506 4.626 4.120 0.001 0.000 0.268 373 V C 0.528 176.697 176.094 0.125 0.000 1.046 373 V CA 1.026 63.401 62.300 0.125 0.000 0.970 373 V CB 0.137 32.079 31.823 0.197 0.000 1.001 373 V HN 1.177 nan 8.190 nan 0.000 0.476 374 D N 3.618 124.065 120.400 0.078 0.000 9.054 374 D HA -0.032 4.609 4.640 0.001 0.000 0.288 374 D C -0.078 176.260 176.300 0.063 0.000 2.510 374 D CA 0.692 54.727 54.000 0.059 0.000 2.292 374 D CB -1.519 39.309 40.800 0.047 0.000 0.976 374 D HN 1.724 nan 8.370 nan 0.000 0.698 375 S N 3.827 119.553 115.700 0.042 0.000 2.194 375 S HA 0.534 5.004 4.470 0.001 0.000 0.249 375 S C -1.439 173.178 174.600 0.029 0.000 0.777 375 S CA -0.007 58.217 58.200 0.040 0.000 0.947 375 S CB 1.915 65.144 63.200 0.048 0.000 1.282 375 S HN 0.739 nan 8.310 nan 0.000 0.383 376 P HA -0.344 nan 4.420 nan 0.000 0.225 376 P C 1.455 178.767 177.300 0.020 0.000 0.859 376 P CA 2.839 65.952 63.100 0.022 0.000 1.075 376 P CB -0.681 31.038 31.700 0.031 0.000 0.699 377 C N -2.210 117.104 119.300 0.023 0.000 2.961 377 C HA 0.168 4.629 4.460 0.001 0.000 0.287 377 C C 1.877 176.877 174.990 0.016 0.000 1.310 377 C CA -0.714 58.314 59.018 0.017 0.000 1.709 377 C CB -1.706 26.046 27.740 0.021 0.000 2.163 377 C HN 0.160 nan 8.230 nan 0.000 0.517 378 L N 3.039 124.274 121.223 0.020 0.000 2.654 378 L HA 0.064 4.405 4.340 0.001 0.000 0.309 378 L C -1.898 174.983 176.870 0.018 0.000 1.267 378 L CA -0.017 54.835 54.840 0.020 0.000 0.866 378 L CB -0.422 41.651 42.059 0.024 0.000 1.108 378 L HN 0.385 nan 8.230 nan 0.000 0.516 379 P HA 0.180 nan 4.420 nan 0.000 0.299 379 P C -1.074 176.234 177.300 0.014 0.000 1.323 379 P CA -0.780 62.328 63.100 0.013 0.000 0.896 379 P CB 1.352 33.058 31.700 0.010 0.000 1.081 380 E N 1.856 122.066 120.200 0.015 0.000 2.417 380 E HA 0.371 4.722 4.350 0.001 0.000 0.261 380 E C -1.027 175.579 176.600 0.010 0.000 1.000 380 E CA -0.098 56.312 56.400 0.017 0.000 0.919 380 E CB -0.003 29.708 29.700 0.019 0.000 0.955 380 E HN 0.589 nan 8.360 nan 0.000 0.455 381 A N 4.484 127.307 122.820 0.005 0.000 2.573 381 A HA 0.175 4.496 4.320 0.001 0.000 0.312 381 A C -0.882 176.694 177.584 -0.012 0.000 1.041 381 A CA -0.745 51.291 52.037 -0.001 0.000 0.880 381 A CB 0.627 19.628 19.000 0.002 0.000 1.249 381 A HN 0.742 nan 8.150 nan 0.000 0.385 382 E N 0.541 120.729 120.200 -0.019 0.000 2.239 382 E HA 0.833 5.184 4.350 0.001 0.000 0.261 382 E C 0.016 176.599 176.600 -0.028 0.000 1.016 382 E CA -0.264 56.114 56.400 -0.036 0.000 0.882 382 E CB 2.038 31.711 29.700 -0.045 0.000 1.190 382 E HN 1.979 nan 8.360 nan 0.000 0.415 383 C N -0.892 118.387 119.300 -0.036 0.000 3.197 383 C HA 0.582 5.043 4.460 0.001 0.000 0.343 383 C C -1.443 173.535 174.990 -0.020 0.000 1.291 383 C CA -0.745 58.264 59.018 -0.015 0.000 1.191 383 C CB 0.483 28.230 27.740 0.013 0.000 1.444 383 C HN 0.624 nan 8.230 nan 0.000 0.468 384 V N 2.402 122.312 119.914 -0.007 0.000 2.667 384 V HA 0.903 5.023 4.120 0.001 0.000 0.308 384 V C -0.052 176.096 176.094 0.089 0.000 1.048 384 V CA -0.090 62.186 62.300 -0.041 0.000 0.928 384 V CB 1.433 33.216 31.823 -0.066 0.000 1.004 384 V HN 1.163 nan 8.190 nan 0.000 0.444 385 F N 1.447 121.394 119.950 -0.006 0.000 2.706 385 F HA 1.046 5.574 4.527 0.002 0.000 0.328 385 F C -0.361 175.459 175.800 0.033 0.000 1.123 385 F CA -1.095 56.924 58.000 0.031 0.000 0.978 385 F CB 1.529 40.552 39.000 0.038 0.000 1.404 385 F HN 0.756 nan 8.300 nan 0.000 0.497 386 A N 0.597 123.740 122.820 0.538 0.000 2.599 386 A HA 0.773 5.093 4.320 0.001 0.000 0.290 386 A C -1.907 175.821 177.584 0.241 0.000 1.101 386 A CA -0.850 51.328 52.037 0.235 0.000 0.674 386 A CB 1.228 20.235 19.000 0.010 0.000 1.277 386 A HN 0.823 nan 8.150 nan 0.000 0.419 387 I N 0.739 121.262 120.570 -0.078 0.000 2.404 387 I HA 0.620 4.791 4.170 0.001 0.000 0.293 387 I C -1.055 174.876 176.117 -0.310 0.000 0.992 387 I CA -0.405 60.881 61.300 -0.024 0.000 1.149 387 I CB 1.299 39.324 38.000 0.042 0.000 1.315 387 I HN 0.690 nan 8.210 nan 0.000 0.446 388 Y N 2.036 122.375 120.300 0.066 0.000 2.805 388 Y HA 0.235 4.786 4.550 0.002 0.000 0.323 388 Y C 1.088 176.998 175.900 0.015 0.000 1.279 388 Y CA -0.884 57.235 58.100 0.033 0.000 1.103 388 Y CB 0.748 39.224 38.460 0.027 0.000 1.324 388 Y HN 0.498 nan 8.280 nan 0.000 0.498 389 E N 0.334 120.649 120.200 0.191 0.000 2.347 389 E HA -0.158 4.193 4.350 0.001 0.000 0.196 389 E C -0.220 176.413 176.600 0.055 0.000 1.008 389 E CA 1.594 58.041 56.400 0.079 0.000 0.852 389 E CB -0.016 29.715 29.700 0.050 0.000 0.783 389 E HN 0.794 nan 8.360 nan 0.000 0.505 390 D N -1.641 118.806 120.400 0.077 0.000 2.479 390 D HA 0.280 4.920 4.640 0.001 0.000 0.218 390 D C 0.569 176.933 176.300 0.106 0.000 1.177 390 D CA 0.257 54.290 54.000 0.055 0.000 0.830 390 D CB 0.957 41.758 40.800 0.001 0.000 1.014 390 D HN 0.215 nan 8.370 nan 0.000 0.503 391 G N -0.815 108.074 108.800 0.148 0.000 2.298 391 G HA2 0.016 3.976 3.960 0.001 0.000 0.309 391 G HA3 0.016 3.976 3.960 0.001 0.000 0.309 391 G C -0.631 174.404 174.900 0.225 0.000 1.279 391 G CA -0.511 44.694 45.100 0.175 0.000 1.042 391 G HN 0.300 nan 8.290 nan 0.000 0.480 392 V N 0.559 120.594 119.914 0.200 0.000 3.432 392 V HA 0.622 4.743 4.120 0.001 0.000 0.304 392 V C 1.456 177.694 176.094 0.238 0.000 1.107 392 V CA 1.223 63.642 62.300 0.199 0.000 1.153 392 V CB 0.638 32.492 31.823 0.051 0.000 1.072 392 V HN 2.410 nan 8.190 nan 0.000 0.485 393 G N 0.297 109.269 108.800 0.286 0.000 2.349 393 G HA2 0.367 4.328 3.960 0.001 0.000 0.294 393 G HA3 0.367 4.328 3.960 0.001 0.000 0.294 393 G C -1.863 173.220 174.900 0.305 0.000 1.380 393 G CA -0.767 44.479 45.100 0.242 0.000 0.811 393 G HN 0.532 nan 8.290 nan 0.000 0.519 394 D N 1.008 121.534 120.400 0.211 0.000 2.354 394 D HA 0.471 5.112 4.640 0.001 0.000 0.247 394 D C -1.488 174.971 176.300 0.266 0.000 1.138 394 D CA -0.450 53.671 54.000 0.201 0.000 0.958 394 D CB 1.532 42.399 40.800 0.111 0.000 1.144 394 D HN 0.258 nan 8.370 nan 0.000 0.458 395 P HA 0.000 nan 4.420 nan 0.000 0.216 395 P CA 0.000 63.212 63.100 0.187 0.000 0.800 395 P CB 0.000 31.757 31.700 0.096 0.000 0.726