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 3h94_1_B DATA FIRST_RESID 89 DATA SEQUENCE TQNLGVKTAT VTRGPLTFAQ SFPANVSYNE YQYAIVQARA AGFIDKVYPL DATA SEQUENCE TVGDKVQKGT PLLDLTIPDW VEAQSEYLLL RETGGTATQT EGILERLRLA DATA SEQUENCE GMPEADIRRL IATQKIQTRF TLKAPIDGVI TAFDLRAGMN IAKDNVVAKI DATA SEQUENCE QGMDPVWVTA AIPESIAWLV KDASQFTLTV PARPDKTLTI RKWTLLPGVD DATA SEQUENCE AATRTLQLRL EVDNADEALK PGMNAWLQLN TASEPMLLIP SQALIDTGSE DATA SEQUENCE QRVITVDADG RFVPKRVAVF QASQGVTALR SGLAEGEKVV SSGLFLI 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 89 T HA 0.000 nan 4.350 nan 0.000 0.228 89 T C 0.000 174.669 174.700 -0.052 0.000 1.109 89 T CA 0.000 62.068 62.100 -0.054 0.000 1.349 89 T CB 0.000 68.860 68.868 -0.014 0.000 0.612 90 Q N 0.590 120.299 119.800 -0.152 0.000 3.428 90 Q HA 0.409 4.749 4.340 0.000 0.000 0.186 90 Q C -1.353 174.570 176.000 -0.128 0.000 0.793 90 Q CA -0.503 55.187 55.803 -0.189 0.000 0.903 90 Q CB 0.300 28.646 28.738 -0.652 0.000 1.510 90 Q HN 0.642 nan 8.270 nan 0.000 0.471 91 N N 1.362 120.072 118.700 0.017 0.000 2.482 91 N HA 0.203 4.944 4.740 0.000 0.000 0.260 91 N C -0.096 175.449 175.510 0.059 0.000 1.236 91 N CA -0.566 52.495 53.050 0.018 0.000 0.938 91 N CB 0.707 39.218 38.487 0.040 0.000 1.128 91 N HN 0.448 nan 8.380 nan 0.000 0.448 92 L N 0.659 121.907 121.223 0.041 0.000 2.516 92 L HA 0.142 4.482 4.340 0.000 0.000 0.288 92 L C 1.208 178.125 176.870 0.078 0.000 1.246 92 L CA 1.414 56.290 54.840 0.060 0.000 0.844 92 L CB -0.056 42.025 42.059 0.037 0.000 1.106 92 L HN 0.873 nan 8.230 nan 0.000 0.509 93 G N 2.947 111.796 108.800 0.081 0.000 3.288 93 G HA2 -0.075 3.885 3.960 0.000 0.000 0.219 93 G HA3 -0.075 3.885 3.960 0.000 0.000 0.219 93 G C -0.041 174.907 174.900 0.081 0.000 0.944 93 G CA 0.042 45.189 45.100 0.078 0.000 0.854 93 G HN 0.543 nan 8.290 nan 0.000 0.632 94 V N 0.644 120.610 119.914 0.087 0.000 3.625 94 V HA 0.451 4.571 4.120 0.000 0.000 0.302 94 V C 0.682 176.799 176.094 0.038 0.000 1.112 94 V CA 0.846 63.188 62.300 0.069 0.000 1.173 94 V CB 1.477 33.321 31.823 0.035 0.000 1.096 94 V HN 0.486 nan 8.190 nan 0.000 0.486 95 K N -0.138 120.275 120.400 0.022 0.000 2.551 95 K HA 0.617 4.938 4.320 0.000 0.000 0.269 95 K C -1.105 175.494 176.600 -0.003 0.000 0.949 95 K CA -0.445 55.849 56.287 0.011 0.000 0.849 95 K CB 2.294 34.800 32.500 0.011 0.000 1.411 95 K HN 0.955 nan 8.250 nan 0.000 0.432 96 T N -0.891 113.659 114.554 -0.006 0.000 2.896 96 T HA 0.871 5.221 4.350 0.000 0.000 0.297 96 T C -1.147 173.545 174.700 -0.012 0.000 1.108 96 T CA -0.908 61.183 62.100 -0.015 0.000 1.004 96 T CB 1.813 70.670 68.868 -0.019 0.000 1.159 96 T HN 0.614 nan 8.240 nan 0.000 0.499 97 A N 0.863 123.674 122.820 -0.016 0.000 2.469 97 A HA 0.921 5.241 4.320 0.000 0.000 0.299 97 A C 0.021 177.598 177.584 -0.013 0.000 1.098 97 A CA -0.709 51.320 52.037 -0.012 0.000 0.737 97 A CB 1.795 20.789 19.000 -0.011 0.000 1.312 97 A HN 1.273 nan 8.150 nan 0.000 0.414 98 T N -0.444 114.104 114.554 -0.010 0.000 2.942 98 T HA 0.599 4.949 4.350 0.000 0.000 0.289 98 T C -0.764 173.931 174.700 -0.007 0.000 1.044 98 T CA -0.440 61.655 62.100 -0.008 0.000 1.023 98 T CB 1.118 69.982 68.868 -0.007 0.000 1.123 98 T HN 0.746 nan 8.240 nan 0.000 0.512 99 V N 3.594 123.505 119.914 -0.006 0.000 2.546 99 V HA 0.578 4.698 4.120 0.000 0.000 0.284 99 V C 0.586 176.676 176.094 -0.007 0.000 1.050 99 V CA -0.278 62.020 62.300 -0.005 0.000 0.981 99 V CB 1.191 33.012 31.823 -0.002 0.000 0.990 99 V HN 1.177 nan 8.190 nan 0.000 0.474 100 T N 2.658 117.206 114.554 -0.010 0.000 2.906 100 T HA 0.624 4.974 4.350 0.000 0.000 0.295 100 T C -0.605 174.084 174.700 -0.019 0.000 1.075 100 T CA -0.962 61.130 62.100 -0.014 0.000 1.005 100 T CB 1.887 70.746 68.868 -0.016 0.000 1.136 100 T HN 0.634 nan 8.240 nan 0.000 0.498 101 R N 0.267 120.754 120.500 -0.022 0.000 2.312 101 R HA 0.700 5.040 4.340 0.000 0.000 0.311 101 R C -0.096 176.182 176.300 -0.036 0.000 1.004 101 R CA -0.210 55.873 56.100 -0.029 0.000 0.902 101 R CB 0.551 30.836 30.300 -0.026 0.000 1.073 101 R HN 1.072 nan 8.270 nan 0.000 0.457 102 G N 3.644 112.416 108.800 -0.048 0.000 2.608 102 G HA2 0.489 4.449 3.960 0.000 0.000 0.291 102 G HA3 0.489 4.449 3.960 0.000 0.000 0.291 102 G C -3.156 171.695 174.900 -0.082 0.000 1.425 102 G CA -1.068 43.997 45.100 -0.059 0.000 0.787 102 G HN 0.502 nan 8.290 nan 0.000 0.484 103 P HA 0.624 nan 4.420 nan 0.000 0.295 103 P C -1.280 175.916 177.300 -0.174 0.000 1.319 103 P CA -0.788 62.223 63.100 -0.148 0.000 0.940 103 P CB 2.694 34.312 31.700 -0.137 0.000 1.192 104 L N 2.145 123.210 121.223 -0.263 0.000 2.322 104 L HA 0.519 4.859 4.340 0.000 0.000 0.279 104 L C 0.221 176.813 176.870 -0.464 0.000 1.036 104 L CA 0.021 54.698 54.840 -0.272 0.000 0.807 104 L CB 1.139 43.081 42.059 -0.195 0.000 1.226 104 L HN 0.479 nan 8.230 nan 0.000 0.433 105 T N 0.921 115.321 114.554 -0.257 0.000 2.749 105 T HA 0.577 4.928 4.350 0.000 0.000 0.287 105 T C -0.441 174.247 174.700 -0.020 0.000 0.970 105 T CA -0.460 61.511 62.100 -0.217 0.000 0.980 105 T CB 0.164 68.977 68.868 -0.093 0.000 0.924 105 T HN 0.138 nan 8.240 nan 0.000 0.456 106 F N 1.679 121.609 119.950 -0.034 0.000 2.443 106 F HA 0.687 5.214 4.527 0.000 0.000 0.335 106 F C 0.493 176.283 175.800 -0.017 0.000 1.104 106 F CA -2.159 55.828 58.000 -0.022 0.000 1.013 106 F CB 1.371 40.359 39.000 -0.021 0.000 1.136 106 F HN 0.869 nan 8.300 nan 0.000 0.470 107 A N 3.556 126.490 122.820 0.189 0.000 2.271 107 A HA 0.625 4.945 4.320 0.000 0.000 0.317 107 A C -0.597 177.042 177.584 0.092 0.000 1.245 107 A CA -0.534 51.569 52.037 0.110 0.000 0.857 107 A CB 0.721 19.761 19.000 0.065 0.000 1.175 107 A HN 0.770 nan 8.150 nan 0.000 0.512 108 Q N 1.340 121.222 119.800 0.137 0.000 2.340 108 Q HA 0.566 4.906 4.340 0.000 0.000 0.268 108 Q C -0.744 175.376 176.000 0.200 0.000 1.031 108 Q CA -0.309 55.577 55.803 0.139 0.000 0.804 108 Q CB 1.799 30.713 28.738 0.294 0.000 1.286 108 Q HN 0.711 nan 8.270 nan 0.000 0.448 109 S N 3.450 119.163 115.700 0.023 0.000 2.449 109 S HA 0.710 5.180 4.470 0.000 0.000 0.310 109 S C -1.405 173.222 174.600 0.044 0.000 1.096 109 S CA -0.362 57.902 58.200 0.107 0.000 1.095 109 S CB 0.332 63.514 63.200 -0.030 0.000 1.007 109 S HN 0.494 nan 8.310 nan 0.000 0.474 110 F N 4.571 124.702 119.950 0.303 0.000 2.593 110 F HA 0.625 5.152 4.527 0.000 0.000 0.320 110 F C -2.214 173.699 175.800 0.188 0.000 1.060 110 F CA -2.020 56.126 58.000 0.243 0.000 0.940 110 F CB 2.607 41.660 39.000 0.089 0.000 1.268 110 F HN 0.368 nan 8.300 nan 0.000 0.475 111 P HA 0.490 nan 4.420 nan 0.000 0.301 111 P C -1.752 175.394 177.300 -0.257 0.000 1.338 111 P CA -0.420 62.362 63.100 -0.531 0.000 0.834 111 P CB 1.785 33.113 31.700 -0.620 0.000 0.967 112 A N 3.506 126.154 122.820 -0.285 0.000 2.374 112 A HA 0.596 4.916 4.320 0.000 0.000 0.305 112 A C -0.096 177.388 177.584 -0.166 0.000 1.053 112 A CA -0.650 51.288 52.037 -0.164 0.000 0.726 112 A CB 0.817 19.753 19.000 -0.108 0.000 1.229 112 A HN 0.643 nan 8.150 nan 0.000 0.431 113 N N 1.030 119.658 118.700 -0.119 0.000 2.483 113 N HA 0.415 5.155 4.740 0.000 0.000 0.269 113 N C -0.707 174.764 175.510 -0.064 0.000 1.209 113 N CA -0.332 52.660 53.050 -0.097 0.000 0.969 113 N CB 0.919 39.362 38.487 -0.073 0.000 1.173 113 N HN 0.234 nan 8.380 nan 0.000 0.475 114 V N 0.238 120.108 119.914 -0.072 0.000 2.427 114 V HA 0.565 4.686 4.120 0.000 0.000 0.286 114 V C 0.147 176.186 176.094 -0.091 0.000 1.034 114 V CA -0.657 61.603 62.300 -0.066 0.000 0.893 114 V CB 0.613 32.377 31.823 -0.098 0.000 0.982 114 V HN 0.909 nan 8.190 nan 0.000 0.452 115 S N 3.930 119.611 115.700 -0.032 0.000 2.549 115 S HA 0.684 5.154 4.470 0.000 0.000 0.280 115 S C -1.192 173.307 174.600 -0.168 0.000 1.109 115 S CA -0.591 57.560 58.200 -0.081 0.000 0.905 115 S CB 1.194 64.433 63.200 0.066 0.000 1.081 115 S HN 0.427 nan 8.310 nan 0.000 0.477 116 Y N 3.425 123.620 120.300 -0.174 0.000 2.425 116 Y HA 0.229 4.779 4.550 0.000 0.000 0.331 116 Y C 1.052 176.560 175.900 -0.654 0.000 1.157 116 Y CA -0.301 57.620 58.100 -0.298 0.000 1.372 116 Y CB 0.505 38.832 38.460 -0.221 0.000 1.253 116 Y HN 0.682 nan 8.280 nan 0.000 0.536 117 N N 2.165 120.404 118.700 -0.769 0.000 2.497 117 N HA 0.016 4.756 4.740 0.000 0.000 0.271 117 N C 0.136 175.092 175.510 -0.923 0.000 1.142 117 N CA -0.275 51.858 53.050 -1.527 0.000 0.965 117 N CB 0.826 38.593 38.487 -1.201 0.000 1.077 117 N HN 0.595 nan 8.380 nan 0.000 0.462 118 E N 0.992 120.498 120.200 -1.157 0.000 2.267 118 E HA -0.158 4.193 4.350 0.000 0.000 0.197 118 E C 0.388 176.502 176.600 -0.810 0.000 0.998 118 E CA 1.300 57.177 56.400 -0.872 0.000 0.830 118 E CB -0.307 28.839 29.700 -0.922 0.000 0.751 118 E HN 0.707 nan 8.360 nan 0.000 0.491 119 Y N -0.997 119.084 120.300 -0.365 0.000 2.500 119 Y HA 0.085 4.635 4.550 0.000 0.000 0.270 119 Y C 1.230 176.946 175.900 -0.308 0.000 1.134 119 Y CA -0.380 57.496 58.100 -0.373 0.000 1.293 119 Y CB 0.582 38.969 38.460 -0.123 0.000 1.063 119 Y HN -0.076 nan 8.280 nan 0.000 0.534 120 Q N 1.727 121.479 119.800 -0.079 0.000 3.122 120 Q HA 0.134 4.475 4.340 0.000 0.000 0.360 120 Q C -0.991 175.033 176.000 0.040 0.000 1.300 120 Q CA -0.280 55.520 55.803 -0.004 0.000 0.982 120 Q CB -0.685 28.044 28.738 -0.017 0.000 1.534 120 Q HN 0.527 nan 8.270 nan 0.000 0.474 121 Y N -2.359 117.910 120.300 -0.050 0.000 2.605 121 Y HA 0.931 5.481 4.550 0.000 0.000 0.343 121 Y C -1.452 174.420 175.900 -0.047 0.000 1.036 121 Y CA -1.959 56.094 58.100 -0.078 0.000 1.065 121 Y CB 1.218 39.621 38.460 -0.095 0.000 1.288 121 Y HN 0.057 nan 8.280 nan 0.000 0.481 122 A N 3.061 125.880 122.820 -0.002 0.000 2.381 122 A HA 0.640 4.960 4.320 0.000 0.000 0.299 122 A C -1.495 175.875 177.584 -0.356 0.000 1.049 122 A CA -0.749 51.205 52.037 -0.139 0.000 0.715 122 A CB 0.963 19.932 19.000 -0.051 0.000 1.222 122 A HN 0.700 nan 8.150 nan 0.000 0.428 123 I N 0.692 121.004 120.570 -0.429 0.000 2.336 123 I HA 0.675 4.845 4.170 0.000 0.000 0.292 123 I C -0.305 175.700 176.117 -0.187 0.000 0.991 123 I CA -0.875 60.215 61.300 -0.349 0.000 1.227 123 I CB 1.308 39.092 38.000 -0.360 0.000 1.366 123 I HN 0.160 nan 8.210 nan 0.000 0.466 124 V N 6.903 126.743 119.914 -0.124 0.000 2.435 124 V HA 0.560 4.680 4.120 0.000 0.000 0.290 124 V C 0.178 176.244 176.094 -0.046 0.000 1.030 124 V CA -0.299 61.958 62.300 -0.071 0.000 0.881 124 V CB 1.179 32.971 31.823 -0.051 0.000 0.983 124 V HN 0.974 nan 8.190 nan 0.000 0.445 125 Q N 4.011 123.790 119.800 -0.035 0.000 3.093 125 Q HA 0.937 5.277 4.340 0.000 0.000 0.330 125 Q C -0.955 175.037 176.000 -0.013 0.000 0.947 125 Q CA -1.184 54.604 55.803 -0.024 0.000 0.801 125 Q CB 2.541 31.261 28.738 -0.030 0.000 1.470 125 Q HN 0.683 nan 8.270 nan 0.000 0.498 126 A N 0.527 123.339 122.820 -0.014 0.000 2.393 126 A HA 0.740 5.060 4.320 0.000 0.000 0.306 126 A C -1.332 176.253 177.584 0.003 0.000 1.050 126 A CA -0.746 51.285 52.037 -0.010 0.000 0.724 126 A CB 1.470 20.451 19.000 -0.032 0.000 1.248 126 A HN 0.474 nan 8.150 nan 0.000 0.424 127 R N 0.809 121.332 120.500 0.039 0.000 2.229 127 R HA 0.827 5.167 4.340 0.000 0.000 0.332 127 R C 0.210 176.578 176.300 0.112 0.000 0.989 127 R CA 0.836 56.987 56.100 0.084 0.000 0.842 127 R CB 0.755 31.128 30.300 0.122 0.000 1.119 127 R HN 2.023 nan 8.270 nan 0.000 0.456 128 A N 1.217 124.076 122.820 0.066 0.000 2.307 128 A HA 0.467 4.787 4.320 0.000 0.000 0.296 128 A C -1.628 175.906 177.584 -0.085 0.000 0.973 128 A CA -0.470 51.569 52.037 0.003 0.000 0.513 128 A CB -0.990 17.912 19.000 -0.163 0.000 1.667 128 A HN 0.864 nan 8.150 nan 0.000 0.703 129 A N -0.656 122.066 122.820 -0.162 0.000 2.374 129 A HA 1.003 5.323 4.320 0.000 0.000 0.305 129 A C 0.229 177.618 177.584 -0.324 0.000 1.053 129 A CA 0.560 52.471 52.037 -0.211 0.000 0.726 129 A CB 1.195 20.094 19.000 -0.169 0.000 1.229 129 A HN 2.701 nan 8.150 nan 0.000 0.431 130 G N 0.050 108.598 108.800 -0.419 0.000 2.649 130 G HA2 0.651 4.612 3.960 0.000 0.000 0.290 130 G HA3 0.651 4.612 3.960 0.000 0.000 0.290 130 G C -1.612 172.896 174.900 -0.654 0.000 1.426 130 G CA -0.557 44.256 45.100 -0.478 0.000 0.794 130 G HN 0.496 nan 8.290 nan 0.000 0.483 131 F N -0.175 119.729 119.950 -0.076 0.000 2.507 131 F HA 0.590 5.117 4.527 0.000 0.000 0.325 131 F C 0.100 175.868 175.800 -0.053 0.000 1.116 131 F CA -0.786 57.178 58.000 -0.061 0.000 0.930 131 F CB 2.083 41.045 39.000 -0.064 0.000 1.146 131 F HN 0.159 nan 8.300 nan 0.000 0.447 132 I N 1.758 122.407 120.570 0.130 0.000 2.834 132 I HA 0.463 4.633 4.170 0.000 0.000 0.305 132 I C -0.299 175.846 176.117 0.047 0.000 1.008 132 I CA -0.129 61.209 61.300 0.062 0.000 1.273 132 I CB 0.937 38.952 38.000 0.024 0.000 1.432 132 I HN 0.524 nan 8.210 nan 0.000 0.557 133 D N 1.433 121.851 120.400 0.030 0.000 2.653 133 D HA 0.297 4.938 4.640 0.000 0.000 0.258 133 D C 0.169 176.461 176.300 -0.012 0.000 1.252 133 D CA -0.453 53.547 54.000 0.000 0.000 0.777 133 D CB 1.236 42.033 40.800 -0.005 0.000 1.339 133 D HN 0.315 nan 8.370 nan 0.000 0.422 134 K N 0.745 121.103 120.400 -0.070 0.000 10.031 134 K HA -0.313 4.007 4.320 0.000 0.000 0.514 134 K C 1.303 177.806 176.600 -0.161 0.000 0.374 134 K CA 2.958 59.144 56.287 -0.169 0.000 1.951 134 K CB -1.621 30.754 32.500 -0.209 0.000 0.736 134 K HN 0.949 nan 8.250 nan 0.000 1.121 135 V N -4.420 115.509 119.914 0.026 0.000 0.582 135 V HA -0.387 3.733 4.120 0.000 0.000 0.092 135 V C 0.675 177.020 176.094 0.417 0.000 1.874 135 V CA 2.848 65.228 62.300 0.134 0.000 3.418 135 V CB -1.118 30.694 31.823 -0.019 0.000 0.707 135 V HN 0.976 nan 8.190 nan 0.000 0.732 136 Y N -2.345 117.987 120.300 0.053 0.000 2.833 136 Y HA 0.096 4.646 4.550 0.000 0.000 0.372 136 Y C -2.717 173.240 175.900 0.094 0.000 0.947 136 Y CA -0.340 57.811 58.100 0.085 0.000 1.548 136 Y CB -1.133 37.396 38.460 0.116 0.000 1.945 136 Y HN 0.362 nan 8.280 nan 0.000 0.570 137 P HA 0.332 nan 4.420 nan 0.000 0.212 137 P C -1.211 176.193 177.300 0.173 0.000 1.816 137 P CA 0.342 63.542 63.100 0.168 0.000 0.944 137 P CB -0.057 31.719 31.700 0.126 0.000 1.896 138 L N 1.280 122.656 121.223 0.256 0.000 2.406 138 L HA 0.346 4.687 4.340 0.000 0.000 0.270 138 L C 0.956 178.049 176.870 0.372 0.000 0.982 138 L CA -0.393 54.602 54.840 0.257 0.000 0.843 138 L CB 1.285 43.504 42.059 0.267 0.000 1.225 138 L HN 0.076 nan 8.230 nan 0.000 0.412 139 T N -0.819 113.857 114.554 0.203 0.000 2.865 139 T HA 0.375 4.725 4.350 0.000 0.000 0.302 139 T C 1.114 175.937 174.700 0.204 0.000 1.078 139 T CA 0.110 62.322 62.100 0.187 0.000 0.942 139 T CB 1.010 69.934 68.868 0.093 0.000 1.387 139 T HN 0.383 nan 8.240 nan 0.000 0.557 140 V N -2.085 117.917 119.914 0.147 0.000 3.514 140 V HA 0.598 4.718 4.120 0.000 0.000 0.301 140 V C 0.682 176.780 176.094 0.007 0.000 1.346 140 V CA 0.344 62.703 62.300 0.098 0.000 1.156 140 V CB -0.555 31.333 31.823 0.109 0.000 1.029 140 V HN 1.142 nan 8.190 nan 0.000 0.428 141 G N 0.239 109.037 108.800 -0.003 0.000 4.370 141 G HA2 0.545 4.505 3.960 0.000 0.000 0.295 141 G HA3 0.545 4.505 3.960 0.000 0.000 0.295 141 G C -1.256 173.628 174.900 -0.026 0.000 1.312 141 G CA -0.310 44.778 45.100 -0.020 0.000 0.845 141 G HN 0.337 nan 8.290 nan 0.000 0.531 142 D N 0.548 120.913 120.400 -0.060 0.000 2.547 142 D HA 0.428 5.068 4.640 0.000 0.000 0.231 142 D C -0.309 175.948 176.300 -0.071 0.000 1.099 142 D CA -0.546 53.422 54.000 -0.054 0.000 0.901 142 D CB 1.962 42.732 40.800 -0.049 0.000 1.478 142 D HN -0.100 nan 8.370 nan 0.000 0.471 143 K N 0.773 121.145 120.400 -0.046 0.000 2.258 143 K HA 0.470 4.790 4.320 0.000 0.000 0.284 143 K C -0.114 176.452 176.600 -0.057 0.000 1.051 143 K CA -0.543 55.717 56.287 -0.045 0.000 0.923 143 K CB 1.307 33.795 32.500 -0.021 0.000 1.046 143 K HN 0.368 nan 8.250 nan 0.000 0.474 144 V N 0.372 120.242 119.914 -0.072 0.000 3.102 144 V HA 0.584 4.704 4.120 0.000 0.000 0.312 144 V C -1.525 174.531 176.094 -0.062 0.000 1.135 144 V CA -0.837 61.414 62.300 -0.081 0.000 1.022 144 V CB 2.322 34.070 31.823 -0.125 0.000 1.056 144 V HN 0.766 nan 8.190 nan 0.000 0.436 145 Q N 1.725 121.491 119.800 -0.058 0.000 2.274 145 Q HA 0.516 4.856 4.340 0.000 0.000 0.268 145 Q C -0.420 175.554 176.000 -0.044 0.000 1.015 145 Q CA -0.732 55.046 55.803 -0.043 0.000 0.775 145 Q CB 1.927 30.649 28.738 -0.028 0.000 1.256 145 Q HN 0.874 nan 8.270 nan 0.000 0.442 146 K N 1.400 121.777 120.400 -0.038 0.000 2.971 146 K HA -0.252 4.068 4.320 0.000 0.000 0.265 146 K C 0.280 176.849 176.600 -0.051 0.000 1.052 146 K CA 0.715 56.981 56.287 -0.035 0.000 0.780 146 K CB -1.337 31.148 32.500 -0.025 0.000 1.214 146 K HN 1.193 nan 8.250 nan 0.000 0.478 147 G N 0.363 109.122 108.800 -0.069 0.000 2.372 147 G HA2 -0.370 3.590 3.960 0.000 0.000 0.290 147 G HA3 -0.370 3.590 3.960 0.000 0.000 0.290 147 G C 0.708 175.548 174.900 -0.100 0.000 0.965 147 G CA 0.810 45.852 45.100 -0.095 0.000 1.263 147 G HN 0.598 nan 8.290 nan 0.000 0.498 148 T N -0.654 113.843 114.554 -0.095 0.000 2.453 148 T HA 0.035 4.385 4.350 0.000 0.000 0.243 148 T C -1.108 173.486 174.700 -0.177 0.000 1.254 148 T CA 1.214 63.255 62.100 -0.098 0.000 1.327 148 T CB -0.849 67.984 68.868 -0.059 0.000 0.885 148 T HN 0.521 nan 8.240 nan 0.000 0.391 149 P HA 0.390 nan 4.420 nan 0.000 0.286 149 P C -0.293 176.506 177.300 -0.835 0.000 1.321 149 P CA -0.073 62.654 63.100 -0.623 0.000 0.790 149 P CB 0.982 32.371 31.700 -0.519 0.000 0.897 150 L N 4.158 124.946 121.223 -0.725 0.000 3.039 150 L HA 0.444 4.784 4.340 0.000 0.000 0.269 150 L C 0.180 177.055 176.870 0.008 0.000 1.169 150 L CA -0.032 54.609 54.840 -0.332 0.000 0.986 150 L CB 0.565 42.549 42.059 -0.124 0.000 1.377 150 L HN 0.355 nan 8.230 nan 0.000 0.575 151 L N -1.421 119.872 121.223 0.116 0.000 3.584 151 L HA 0.185 4.525 4.340 0.000 0.000 0.200 151 L C -2.529 174.518 176.870 0.295 0.000 1.016 151 L CA -0.765 54.298 54.840 0.372 0.000 1.065 151 L CB 0.600 42.790 42.059 0.218 0.000 1.386 151 L HN -0.127 nan 8.230 nan 0.000 0.394 152 D N 3.091 123.621 120.400 0.216 0.000 2.879 152 D HA 0.736 5.376 4.640 0.000 0.000 0.236 152 D C -1.012 175.342 176.300 0.090 0.000 1.171 152 D CA -0.032 54.059 54.000 0.151 0.000 0.868 152 D CB 2.209 43.087 40.800 0.130 0.000 1.598 152 D HN 0.774 nan 8.370 nan 0.000 0.497 153 L N -1.162 120.111 121.223 0.083 0.000 2.370 153 L HA 0.845 5.185 4.340 0.000 0.000 0.266 153 L C -0.323 176.538 176.870 -0.014 0.000 1.002 153 L CA -0.960 53.908 54.840 0.047 0.000 0.818 153 L CB 2.014 44.092 42.059 0.031 0.000 1.325 153 L HN 0.324 nan 8.230 nan 0.000 0.418 154 T N 0.160 114.708 114.554 -0.010 0.000 2.771 154 T HA 0.752 5.102 4.350 0.000 0.000 0.281 154 T C -0.350 174.321 174.700 -0.048 0.000 0.982 154 T CA -0.487 61.564 62.100 -0.083 0.000 0.978 154 T CB 1.086 69.925 68.868 -0.048 0.000 0.930 154 T HN 0.559 nan 8.240 nan 0.000 0.447 155 I N 3.948 124.422 120.570 -0.159 0.000 2.465 155 I HA 0.349 4.520 4.170 0.000 0.000 0.291 155 I C -2.040 174.030 176.117 -0.079 0.000 1.014 155 I CA -2.954 58.252 61.300 -0.156 0.000 1.093 155 I CB 2.330 40.086 38.000 -0.407 0.000 1.267 155 I HN 0.320 nan 8.210 nan 0.000 0.431 156 P HA -0.040 nan 4.420 nan 0.000 0.217 156 P C 0.584 177.933 177.300 0.082 0.000 1.154 156 P CA 1.179 64.304 63.100 0.042 0.000 0.841 156 P CB 0.220 31.966 31.700 0.077 0.000 0.788 157 D N -1.234 119.219 120.400 0.088 0.000 2.117 157 D HA -0.177 4.464 4.640 0.000 0.000 0.197 157 D C 1.642 178.171 176.300 0.382 0.000 0.987 157 D CA 0.961 55.092 54.000 0.218 0.000 0.829 157 D CB -1.128 39.825 40.800 0.256 0.000 0.961 157 D HN 0.178 nan 8.370 nan 0.000 0.460 158 W N 1.430 122.783 121.300 0.090 0.000 2.358 158 W HA -0.058 4.602 4.660 0.000 0.000 0.303 158 W C 2.520 179.084 176.519 0.075 0.000 1.208 158 W CA 0.994 58.401 57.345 0.103 0.000 1.274 158 W CB -1.438 28.145 29.460 0.206 0.000 1.138 158 W HN 0.014 nan 8.180 nan 0.000 0.515 159 V N 0.505 120.588 119.914 0.281 0.000 2.343 159 V HA -0.276 3.845 4.120 0.000 0.000 0.247 159 V C 2.053 178.222 176.094 0.125 0.000 1.051 159 V CA 2.575 64.967 62.300 0.154 0.000 1.036 159 V CB -1.204 30.668 31.823 0.081 0.000 0.654 159 V HN 0.225 nan 8.190 nan 0.000 0.451 160 E N 2.556 122.833 120.200 0.128 0.000 2.077 160 E HA -0.102 4.248 4.350 0.000 0.000 0.193 160 E C 2.043 178.706 176.600 0.105 0.000 0.989 160 E CA 2.152 58.613 56.400 0.102 0.000 0.800 160 E CB -0.911 28.846 29.700 0.095 0.000 0.746 160 E HN 0.656 nan 8.360 nan 0.000 0.452 161 A N 0.657 123.551 122.820 0.123 0.000 1.902 161 A HA -0.252 4.069 4.320 0.000 0.000 0.217 161 A C 2.209 179.850 177.584 0.096 0.000 1.181 161 A CA 1.803 53.899 52.037 0.098 0.000 0.623 161 A CB -0.671 18.374 19.000 0.075 0.000 0.818 161 A HN 0.459 nan 8.150 nan 0.000 0.443 162 Q N 0.403 120.251 119.800 0.081 0.000 2.084 162 Q HA -0.154 4.187 4.340 0.000 0.000 0.202 162 Q C 2.385 178.449 176.000 0.106 0.000 0.978 162 Q CA 1.967 57.790 55.803 0.032 0.000 0.844 162 Q CB -0.440 28.308 28.738 0.017 0.000 0.898 162 Q HN 0.833 nan 8.270 nan 0.000 0.426 163 S N 1.430 117.193 115.700 0.104 0.000 2.368 163 S HA -0.239 4.231 4.470 0.000 0.000 0.225 163 S C 1.989 176.665 174.600 0.127 0.000 1.030 163 S CA 1.380 59.645 58.200 0.108 0.000 0.999 163 S CB -0.313 62.934 63.200 0.078 0.000 0.844 163 S HN 0.503 nan 8.310 nan 0.000 0.459 164 E N 1.667 121.939 120.200 0.120 0.000 2.077 164 E HA -0.238 4.112 4.350 0.000 0.000 0.193 164 E C 1.909 178.594 176.600 0.141 0.000 0.989 164 E CA 1.578 58.042 56.400 0.106 0.000 0.800 164 E CB -1.165 28.586 29.700 0.086 0.000 0.746 164 E HN 0.709 nan 8.360 nan 0.000 0.452 165 Y N 1.061 121.372 120.300 0.018 0.000 2.181 165 Y HA -0.049 4.501 4.550 0.000 0.000 0.288 165 Y C 1.848 177.756 175.900 0.013 0.000 1.146 165 Y CA 1.616 59.724 58.100 0.012 0.000 1.164 165 Y CB -0.563 37.903 38.460 0.009 0.000 0.982 165 Y HN 0.107 nan 8.280 nan 0.000 0.515 166 L N 0.044 121.605 121.223 0.564 0.000 2.046 166 L HA -0.204 4.136 4.340 0.000 0.000 0.208 166 L C 2.565 179.476 176.870 0.067 0.000 1.077 166 L CA 1.459 56.493 54.840 0.325 0.000 0.747 166 L CB -0.867 41.351 42.059 0.264 0.000 0.896 166 L HN 0.451 nan 8.230 nan 0.000 0.432 167 L N -1.817 119.443 121.223 0.060 0.000 2.046 167 L HA -0.163 4.177 4.340 0.000 0.000 0.208 167 L C 2.233 179.082 176.870 -0.034 0.000 1.077 167 L CA 1.679 56.528 54.840 0.016 0.000 0.747 167 L CB -1.325 40.749 42.059 0.026 0.000 0.896 167 L HN 0.036 nan 8.230 nan 0.000 0.432 168 L N 0.066 121.246 121.223 -0.072 0.000 2.046 168 L HA -0.122 4.218 4.340 0.000 0.000 0.208 168 L C 2.989 179.760 176.870 -0.164 0.000 1.077 168 L CA 2.074 56.845 54.840 -0.116 0.000 0.747 168 L CB -0.845 41.129 42.059 -0.142 0.000 0.896 168 L HN 0.549 nan 8.230 nan 0.000 0.432 169 R N -0.870 119.474 120.500 -0.259 0.000 2.081 169 R HA -0.155 4.185 4.340 0.000 0.000 0.235 169 R C 2.094 178.333 176.300 -0.102 0.000 1.131 169 R CA 1.365 57.327 56.100 -0.230 0.000 0.960 169 R CB -0.178 29.945 30.300 -0.295 0.000 0.856 169 R HN 0.333 nan 8.270 nan 0.000 0.436 170 E N 0.321 120.483 120.200 -0.062 0.000 2.077 170 E HA -0.117 4.233 4.350 0.000 0.000 0.193 170 E C 0.759 177.342 176.600 -0.028 0.000 0.989 170 E CA 1.643 58.027 56.400 -0.027 0.000 0.800 170 E CB -0.102 29.594 29.700 -0.006 0.000 0.746 170 E HN 0.429 nan 8.360 nan 0.000 0.452 171 T N -0.768 113.765 114.554 -0.035 0.000 3.855 171 T HA 0.389 4.739 4.350 0.000 0.000 0.306 171 T C 0.584 175.262 174.700 -0.036 0.000 1.575 171 T CA 0.083 62.165 62.100 -0.029 0.000 1.214 171 T CB -0.359 68.495 68.868 -0.023 0.000 1.262 171 T HN 0.167 nan 8.240 nan 0.000 0.883 172 G N 1.473 110.252 108.800 -0.035 0.000 2.761 172 G HA2 0.271 4.232 3.960 0.000 0.000 0.344 172 G HA3 0.271 4.232 3.960 0.000 0.000 0.344 172 G C 0.304 175.180 174.900 -0.041 0.000 0.127 172 G CA -0.151 44.927 45.100 -0.036 0.000 1.225 172 G HN 1.312 nan 8.290 nan 0.000 0.515 173 G N 1.191 109.959 108.800 -0.054 0.000 2.733 173 G HA2 0.782 4.742 3.960 0.000 0.000 0.297 173 G HA3 0.782 4.742 3.960 0.000 0.000 0.297 173 G C -0.011 174.852 174.900 -0.060 0.000 1.422 173 G CA 0.331 45.396 45.100 -0.059 0.000 0.942 173 G HN 1.528 nan 8.290 nan 0.000 0.510 174 T N -0.232 114.293 114.554 -0.048 0.000 2.800 174 T HA 0.320 4.670 4.350 0.000 0.000 0.283 174 T C 1.702 176.371 174.700 -0.050 0.000 0.999 174 T CA 0.883 62.959 62.100 -0.040 0.000 1.176 174 T CB 1.006 69.857 68.868 -0.029 0.000 0.973 174 T HN 1.394 nan 8.240 nan 0.000 0.519 175 A N 4.084 126.879 122.820 -0.042 0.000 1.902 175 A HA -0.022 4.298 4.320 0.000 0.000 0.217 175 A C 2.713 180.282 177.584 -0.026 0.000 1.181 175 A CA 2.047 54.061 52.037 -0.040 0.000 0.623 175 A CB -1.518 17.467 19.000 -0.025 0.000 0.818 175 A HN 1.167 nan 8.150 nan 0.000 0.443 176 T N -2.610 111.932 114.554 -0.019 0.000 2.746 176 T HA -0.232 4.118 4.350 0.000 0.000 0.267 176 T C 1.983 176.677 174.700 -0.010 0.000 1.039 176 T CA 1.902 63.995 62.100 -0.010 0.000 1.142 176 T CB -0.336 68.526 68.868 -0.009 0.000 0.866 176 T HN 0.328 nan 8.240 nan 0.000 0.444 177 Q N 1.291 121.080 119.800 -0.018 0.000 2.084 177 Q HA -0.062 4.278 4.340 0.000 0.000 0.202 177 Q C 2.591 178.585 176.000 -0.010 0.000 0.978 177 Q CA 2.539 58.333 55.803 -0.015 0.000 0.844 177 Q CB -1.130 27.595 28.738 -0.022 0.000 0.898 177 Q HN 0.851 nan 8.270 nan 0.000 0.426 178 T N -2.113 112.420 114.554 -0.035 0.000 2.746 178 T HA -0.160 4.190 4.350 0.000 0.000 0.267 178 T C 1.692 176.432 174.700 0.068 0.000 1.039 178 T CA 1.470 63.548 62.100 -0.036 0.000 1.142 178 T CB -0.288 68.478 68.868 -0.169 0.000 0.866 178 T HN 0.167 nan 8.240 nan 0.000 0.444 179 E N 1.548 121.772 120.200 0.039 0.000 2.077 179 E HA 0.074 4.424 4.350 0.000 0.000 0.193 179 E C 2.379 178.999 176.600 0.033 0.000 0.989 179 E CA 1.479 57.907 56.400 0.047 0.000 0.800 179 E CB -1.144 28.570 29.700 0.024 0.000 0.746 179 E HN 0.649 nan 8.360 nan 0.000 0.452 180 G N 0.604 109.417 108.800 0.020 0.000 2.418 180 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 180 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 180 G C 1.754 176.663 174.900 0.014 0.000 1.158 180 G CA 0.708 45.813 45.100 0.010 0.000 0.771 180 G HN 0.357 nan 8.290 nan 0.000 0.545 181 I N -0.161 120.432 120.570 0.038 0.000 2.226 181 I HA -0.131 4.039 4.170 0.000 0.000 0.245 181 I C 2.497 178.632 176.117 0.030 0.000 1.100 181 I CA 0.703 62.033 61.300 0.049 0.000 1.374 181 I CB 0.065 38.129 38.000 0.106 0.000 1.057 181 I HN 0.090 nan 8.210 nan 0.000 0.413 182 L N 0.439 121.695 121.223 0.056 0.000 2.046 182 L HA -0.225 4.116 4.340 0.000 0.000 0.208 182 L C 2.494 179.331 176.870 -0.056 0.000 1.077 182 L CA 1.606 56.444 54.840 -0.004 0.000 0.747 182 L CB -1.031 41.048 42.059 0.033 0.000 0.896 182 L HN 0.244 nan 8.230 nan 0.000 0.432 183 E N 0.377 120.557 120.200 -0.034 0.000 2.077 183 E HA -0.198 4.152 4.350 0.000 0.000 0.193 183 E C 2.363 178.920 176.600 -0.071 0.000 0.989 183 E CA 1.203 57.573 56.400 -0.050 0.000 0.800 183 E CB 0.063 29.746 29.700 -0.029 0.000 0.746 183 E HN 0.421 nan 8.360 nan 0.000 0.452 184 R N -0.114 120.350 120.500 -0.060 0.000 2.081 184 R HA -0.123 4.218 4.340 0.000 0.000 0.235 184 R C 2.548 178.770 176.300 -0.131 0.000 1.131 184 R CA 1.130 57.188 56.100 -0.070 0.000 0.960 184 R CB -0.416 29.860 30.300 -0.040 0.000 0.856 184 R HN 0.111 nan 8.270 nan 0.000 0.436 185 L N 1.060 122.182 121.223 -0.169 0.000 2.046 185 L HA -0.133 4.207 4.340 0.000 0.000 0.208 185 L C 2.433 179.067 176.870 -0.392 0.000 1.077 185 L CA 1.664 56.315 54.840 -0.316 0.000 0.747 185 L CB -0.318 41.562 42.059 -0.299 0.000 0.896 185 L HN 0.022 nan 8.230 nan 0.000 0.432 186 R N -0.762 119.581 120.500 -0.261 0.000 2.081 186 R HA -0.180 4.161 4.340 0.000 0.000 0.235 186 R C 2.222 178.406 176.300 -0.194 0.000 1.131 186 R CA 1.747 57.709 56.100 -0.230 0.000 0.960 186 R CB -0.368 29.844 30.300 -0.146 0.000 0.856 186 R HN 0.447 nan 8.270 nan 0.000 0.436 187 L N -0.615 120.519 121.223 -0.148 0.000 2.046 187 L HA 0.037 4.378 4.340 0.000 0.000 0.208 187 L C 2.134 178.940 176.870 -0.106 0.000 1.077 187 L CA 2.027 56.807 54.840 -0.100 0.000 0.747 187 L CB -1.292 40.725 42.059 -0.069 0.000 0.896 187 L HN 0.040 nan 8.230 nan 0.000 0.432 188 A N -0.479 122.243 122.820 -0.163 0.000 1.902 188 A HA 0.301 4.621 4.320 0.000 0.000 0.217 188 A C 2.152 179.664 177.584 -0.120 0.000 1.181 188 A CA 2.124 54.079 52.037 -0.137 0.000 0.623 188 A CB -0.978 17.874 19.000 -0.247 0.000 0.818 188 A HN 1.015 nan 8.150 nan 0.000 0.443 189 G N -3.548 105.050 108.800 -0.337 0.000 2.935 189 G HA2 -0.053 3.907 3.960 0.000 0.000 0.213 189 G HA3 -0.053 3.907 3.960 0.000 0.000 0.213 189 G C 0.253 174.847 174.900 -0.510 0.000 0.984 189 G CA -0.031 44.928 45.100 -0.234 0.000 0.790 189 G HN 0.195 nan 8.290 nan 0.000 0.538 190 M N 2.176 121.130 119.600 -1.076 0.000 2.274 190 M HA 0.091 4.571 4.480 0.000 0.000 0.377 190 M C -1.786 174.290 176.300 -0.374 0.000 1.428 190 M CA -0.251 54.549 55.300 -0.834 0.000 0.907 190 M CB 0.080 32.285 32.600 -0.658 0.000 1.974 190 M HN -0.044 nan 8.290 nan 0.000 0.479 191 P HA -0.148 nan 4.420 nan 0.000 0.263 191 P C 0.430 177.656 177.300 -0.124 0.000 1.162 191 P CA 0.373 63.376 63.100 -0.163 0.000 0.758 191 P CB 0.365 31.987 31.700 -0.131 0.000 0.773 192 E N 3.298 123.446 120.200 -0.087 0.000 2.072 192 E HA -0.160 4.190 4.350 0.000 0.000 0.191 192 E C 1.808 178.385 176.600 -0.038 0.000 0.985 192 E CA 1.778 58.138 56.400 -0.067 0.000 0.801 192 E CB -0.422 29.247 29.700 -0.051 0.000 0.750 192 E HN 0.435 nan 8.360 nan 0.000 0.452 193 A N 1.217 124.025 122.820 -0.020 0.000 1.902 193 A HA -0.188 4.133 4.320 0.000 0.000 0.217 193 A C 1.900 179.501 177.584 0.027 0.000 1.181 193 A CA 1.867 53.908 52.037 0.006 0.000 0.623 193 A CB -0.523 18.487 19.000 0.016 0.000 0.818 193 A HN 0.174 nan 8.150 nan 0.000 0.443 194 D N 0.014 120.440 120.400 0.044 0.000 2.117 194 D HA -0.105 4.535 4.640 0.000 0.000 0.197 194 D C 1.800 178.134 176.300 0.057 0.000 0.987 194 D CA 0.986 55.053 54.000 0.111 0.000 0.829 194 D CB -0.319 40.621 40.800 0.235 0.000 0.961 194 D HN 0.510 nan 8.370 nan 0.000 0.460 195 I N 0.536 121.103 120.570 -0.004 0.000 2.226 195 I HA -0.241 3.929 4.170 0.000 0.000 0.245 195 I C 2.378 178.473 176.117 -0.036 0.000 1.100 195 I CA 0.991 62.260 61.300 -0.051 0.000 1.374 195 I CB -0.101 37.847 38.000 -0.087 0.000 1.057 195 I HN -0.039 nan 8.210 nan 0.000 0.413 196 R N 0.352 120.844 120.500 -0.014 0.000 2.081 196 R HA -0.124 4.216 4.340 0.000 0.000 0.235 196 R C 2.441 178.747 176.300 0.010 0.000 1.131 196 R CA 1.153 57.253 56.100 -0.001 0.000 0.960 196 R CB -0.286 30.016 30.300 0.004 0.000 0.856 196 R HN 0.353 nan 8.270 nan 0.000 0.436 197 R N 0.568 121.080 120.500 0.020 0.000 2.081 197 R HA -0.124 4.216 4.340 0.000 0.000 0.235 197 R C 2.326 178.639 176.300 0.021 0.000 1.131 197 R CA 1.201 57.317 56.100 0.028 0.000 0.960 197 R CB -0.493 29.833 30.300 0.044 0.000 0.856 197 R HN 0.152 nan 8.270 nan 0.000 0.436 198 L N 1.007 122.235 121.223 0.008 0.000 2.046 198 L HA -0.127 4.213 4.340 0.000 0.000 0.208 198 L C 1.849 178.714 176.870 -0.009 0.000 1.077 198 L CA 1.741 56.573 54.840 -0.013 0.000 0.747 198 L CB -0.664 41.356 42.059 -0.064 0.000 0.896 198 L HN 0.042 nan 8.230 nan 0.000 0.432 199 I N 0.823 121.387 120.570 -0.009 0.000 2.226 199 I HA -0.212 3.958 4.170 0.000 0.000 0.245 199 I C 2.760 178.908 176.117 0.052 0.000 1.100 199 I CA 1.398 62.723 61.300 0.043 0.000 1.374 199 I CB -1.918 36.111 38.000 0.047 0.000 1.057 199 I HN 0.408 nan 8.210 nan 0.000 0.413 200 A N 0.806 123.646 122.820 0.034 0.000 1.902 200 A HA -0.189 4.131 4.320 0.000 0.000 0.217 200 A C 2.304 179.909 177.584 0.034 0.000 1.181 200 A CA 2.608 54.665 52.037 0.033 0.000 0.623 200 A CB -0.856 18.160 19.000 0.026 0.000 0.818 200 A HN 0.548 nan 8.150 nan 0.000 0.443 201 T N -5.032 109.543 114.554 0.033 0.000 2.971 201 T HA 0.201 4.551 4.350 0.000 0.000 0.252 201 T C 0.970 175.694 174.700 0.041 0.000 1.022 201 T CA 0.976 63.096 62.100 0.033 0.000 0.980 201 T CB 0.365 69.249 68.868 0.027 0.000 1.044 201 T HN 0.763 nan 8.240 nan 0.000 0.501 202 Q N 0.446 120.276 119.800 0.050 0.000 2.342 202 Q HA -0.294 4.047 4.340 0.000 0.000 0.196 202 Q C 0.985 177.015 176.000 0.051 0.000 0.629 202 Q CA 1.461 57.306 55.803 0.070 0.000 1.365 202 Q CB -1.686 27.101 28.738 0.081 0.000 1.406 202 Q HN 0.491 nan 8.270 nan 0.000 0.840 203 K N 1.105 121.525 120.400 0.033 0.000 2.585 203 K HA 0.047 4.367 4.320 0.000 0.000 0.194 203 K C 0.677 177.289 176.600 0.021 0.000 1.037 203 K CA 1.111 57.413 56.287 0.025 0.000 0.964 203 K CB -0.143 32.369 32.500 0.019 0.000 0.787 203 K HN 0.451 nan 8.250 nan 0.000 0.488 204 I N 0.088 120.671 120.570 0.021 0.000 8.913 204 I HA -0.254 3.916 4.170 0.000 0.000 0.213 204 I C -0.995 175.132 176.117 0.016 0.000 1.865 204 I CA 0.402 61.715 61.300 0.020 0.000 2.037 204 I CB -0.136 37.877 38.000 0.022 0.000 3.921 204 I HN 0.189 nan 8.210 nan 0.000 0.169 205 Q N 3.398 123.217 119.800 0.032 0.000 2.340 205 Q HA 0.539 4.879 4.340 0.000 0.000 0.268 205 Q C 0.285 176.257 176.000 -0.046 0.000 1.031 205 Q CA 0.155 55.982 55.803 0.039 0.000 0.804 205 Q CB 2.042 30.883 28.738 0.172 0.000 1.286 205 Q HN 0.863 nan 8.270 nan 0.000 0.448 206 T N 1.502 115.937 114.554 -0.198 0.000 3.587 206 T HA 0.248 4.598 4.350 0.000 0.000 0.221 206 T C -0.063 174.249 174.700 -0.647 0.000 0.921 206 T CA 0.282 62.202 62.100 -0.300 0.000 1.426 206 T CB 0.424 69.182 68.868 -0.184 0.000 1.340 206 T HN 0.622 nan 8.240 nan 0.000 0.423 207 R N 0.731 120.872 120.500 -0.598 0.000 2.534 207 R HA 0.604 4.944 4.340 0.000 0.000 0.301 207 R C -1.544 174.431 176.300 -0.542 0.000 0.961 207 R CA -0.728 55.000 56.100 -0.619 0.000 0.871 207 R CB 0.934 31.090 30.300 -0.240 0.000 1.170 207 R HN 0.348 nan 8.270 nan 0.000 0.446 208 F N 0.034 120.006 119.950 0.037 0.000 2.556 208 F HA 0.482 5.009 4.527 0.000 0.000 0.327 208 F C 0.728 176.562 175.800 0.056 0.000 1.059 208 F CA -1.300 56.736 58.000 0.060 0.000 0.953 208 F CB 1.130 40.186 39.000 0.092 0.000 1.227 208 F HN 0.611 nan 8.300 nan 0.000 0.478 209 T N -0.036 114.681 114.554 0.272 0.000 2.788 209 T HA 0.476 4.826 4.350 0.000 0.000 0.287 209 T C -0.610 174.172 174.700 0.136 0.000 1.007 209 T CA -0.697 61.514 62.100 0.185 0.000 1.005 209 T CB 1.017 69.969 68.868 0.141 0.000 1.012 209 T HN 0.537 nan 8.240 nan 0.000 0.530 210 L N 1.183 122.452 121.223 0.076 0.000 2.322 210 L HA 0.551 4.892 4.340 0.000 0.000 0.281 210 L C -0.220 176.635 176.870 -0.024 0.000 1.014 210 L CA -0.517 54.344 54.840 0.035 0.000 0.815 210 L CB 1.373 43.462 42.059 0.050 0.000 1.247 210 L HN 0.835 nan 8.230 nan 0.000 0.421 211 K N 2.918 123.304 120.400 -0.023 0.000 2.244 211 K HA 0.661 4.981 4.320 0.000 0.000 0.260 211 K C -0.430 176.140 176.600 -0.050 0.000 0.951 211 K CA -0.568 55.691 56.287 -0.047 0.000 0.826 211 K CB 1.938 34.419 32.500 -0.032 0.000 1.108 211 K HN 0.724 nan 8.250 nan 0.000 0.433 212 A N 4.651 127.428 122.820 -0.072 0.000 2.354 212 A HA 0.265 4.585 4.320 0.000 0.000 0.281 212 A C -1.895 175.656 177.584 -0.056 0.000 1.174 212 A CA -1.378 50.615 52.037 -0.074 0.000 0.828 212 A CB 0.154 19.091 19.000 -0.105 0.000 1.099 212 A HN 0.505 nan 8.150 nan 0.000 0.516 213 P HA -0.139 nan 4.420 nan 0.000 0.215 213 P C 0.556 177.841 177.300 -0.025 0.000 1.157 213 P CA 1.356 64.439 63.100 -0.029 0.000 0.874 213 P CB -0.183 31.504 31.700 -0.022 0.000 0.790 214 I N -5.008 115.544 120.570 -0.029 0.000 3.100 214 I HA 0.550 4.720 4.170 0.000 0.000 0.312 214 I C -0.701 175.395 176.117 -0.034 0.000 1.063 214 I CA -1.241 60.045 61.300 -0.023 0.000 1.031 214 I CB 1.391 39.384 38.000 -0.012 0.000 1.243 214 I HN -0.429 nan 8.210 nan 0.000 0.483 215 D N 1.309 121.695 120.400 -0.024 0.000 2.249 215 D HA 0.717 5.357 4.640 0.000 0.000 0.246 215 D C 0.048 176.330 176.300 -0.031 0.000 1.114 215 D CA 0.380 54.365 54.000 -0.025 0.000 0.854 215 D CB 1.691 42.485 40.800 -0.009 0.000 1.132 215 D HN 0.977 nan 8.370 nan 0.000 0.461 216 G N 0.110 108.881 108.800 -0.049 0.000 2.490 216 G HA2 0.475 4.435 3.960 0.000 0.000 0.308 216 G HA3 0.475 4.435 3.960 0.000 0.000 0.308 216 G C -1.581 173.268 174.900 -0.085 0.000 1.286 216 G CA -0.438 44.625 45.100 -0.063 0.000 0.825 216 G HN 0.378 nan 8.290 nan 0.000 0.479 217 V N -0.240 119.604 119.914 -0.116 0.000 3.046 217 V HA 0.668 4.788 4.120 0.000 0.000 0.316 217 V C -0.751 175.242 176.094 -0.168 0.000 1.104 217 V CA -0.671 61.549 62.300 -0.134 0.000 1.006 217 V CB 1.915 33.647 31.823 -0.151 0.000 1.058 217 V HN 0.613 nan 8.190 nan 0.000 0.440 218 I N 1.892 122.356 120.570 -0.177 0.000 2.377 218 I HA 0.455 4.625 4.170 0.000 0.000 0.293 218 I C 0.333 176.361 176.117 -0.149 0.000 0.987 218 I CA -0.049 61.135 61.300 -0.194 0.000 1.185 218 I CB 1.895 39.729 38.000 -0.276 0.000 1.341 218 I HN 0.729 nan 8.210 nan 0.000 0.455 219 T N 3.638 118.112 114.554 -0.133 0.000 2.756 219 T HA 0.819 5.169 4.350 0.000 0.000 0.290 219 T C -0.117 174.548 174.700 -0.059 0.000 0.985 219 T CA -0.187 61.852 62.100 -0.102 0.000 0.955 219 T CB 0.907 69.706 68.868 -0.115 0.000 0.930 219 T HN 1.496 nan 8.240 nan 0.000 0.451 220 A N 2.940 125.752 122.820 -0.014 0.000 2.434 220 A HA 0.211 4.531 4.320 0.000 0.000 0.686 220 A C -0.332 177.326 177.584 0.124 0.000 0.138 220 A CA 0.039 52.095 52.037 0.033 0.000 0.027 220 A CB -1.736 17.262 19.000 -0.002 0.000 3.973 220 A HN 1.396 nan 8.150 nan 0.000 0.548 221 F N 0.970 120.899 119.950 -0.034 0.000 1.925 221 F HA 0.336 4.863 4.527 0.000 0.000 0.228 221 F C 1.400 177.190 175.800 -0.017 0.000 1.283 221 F CA 1.114 59.099 58.000 -0.025 0.000 1.194 221 F CB -0.445 38.544 39.000 -0.017 0.000 2.072 221 F HN 1.065 nan 8.300 nan 0.000 0.106 222 D N 0.647 121.045 120.400 -0.004 0.000 3.958 222 D HA -0.281 4.359 4.640 0.000 0.000 0.210 222 D C -0.268 175.890 176.300 -0.237 0.000 1.329 222 D CA 1.711 55.632 54.000 -0.131 0.000 2.355 222 D CB -1.110 39.668 40.800 -0.037 0.000 1.233 222 D HN 0.018 nan 8.370 nan 0.000 0.407 223 L N 1.309 122.396 121.223 -0.227 0.000 2.540 223 L HA 0.210 4.550 4.340 0.000 0.000 0.276 223 L C 0.906 177.623 176.870 -0.255 0.000 1.212 223 L CA 1.201 55.926 54.840 -0.191 0.000 0.893 223 L CB 0.500 42.482 42.059 -0.128 0.000 1.138 223 L HN 0.291 nan 8.230 nan 0.000 0.491 224 R N 4.009 124.412 120.500 -0.161 0.000 2.752 224 R HA 0.717 5.057 4.340 0.000 0.000 0.271 224 R C -0.631 175.623 176.300 -0.076 0.000 1.026 224 R CA -0.335 55.683 56.100 -0.136 0.000 0.901 224 R CB 0.998 31.210 30.300 -0.147 0.000 1.243 224 R HN 0.794 nan 8.270 nan 0.000 0.463 225 A N -0.168 122.616 122.820 -0.059 0.000 2.800 225 A HA 0.067 4.387 4.320 0.000 0.000 0.292 225 A C 1.090 178.661 177.584 -0.022 0.000 1.474 225 A CA 1.902 53.915 52.037 -0.040 0.000 0.744 225 A CB -2.203 16.771 19.000 -0.042 0.000 1.044 225 A HN 2.513 nan 8.150 nan 0.000 0.489 226 G N -2.242 106.557 108.800 -0.002 0.000 2.255 226 G HA2 -0.101 3.859 3.960 0.000 0.000 0.239 226 G HA3 -0.101 3.859 3.960 0.000 0.000 0.239 226 G C -0.006 174.936 174.900 0.070 0.000 1.083 226 G CA 0.537 45.650 45.100 0.022 0.000 0.826 226 G HN 1.331 nan 8.290 nan 0.000 0.493 227 M N 0.177 119.822 119.600 0.075 0.000 2.369 227 M HA 0.445 4.925 4.480 0.000 0.000 0.291 227 M C 0.384 176.764 176.300 0.134 0.000 1.178 227 M CA -0.837 54.511 55.300 0.081 0.000 0.996 227 M CB 0.760 33.368 32.600 0.013 0.000 1.472 227 M HN 0.405 nan 8.290 nan 0.000 0.496 228 N N 1.015 119.744 118.700 0.049 0.000 2.372 228 N HA 0.592 5.332 4.740 0.000 0.000 0.291 228 N C -1.557 173.850 175.510 -0.170 0.000 1.024 228 N CA -0.513 52.438 53.050 -0.165 0.000 0.873 228 N CB 1.161 39.532 38.487 -0.192 0.000 1.206 228 N HN 0.313 nan 8.380 nan 0.000 0.486 229 I N 0.683 121.113 120.570 -0.234 0.000 2.607 229 I HA 0.767 4.937 4.170 0.000 0.000 0.305 229 I C 0.422 176.436 176.117 -0.171 0.000 0.995 229 I CA -1.117 60.089 61.300 -0.157 0.000 1.148 229 I CB 1.331 39.256 38.000 -0.124 0.000 1.323 229 I HN 0.846 nan 8.210 nan 0.000 0.461 230 A N 4.202 126.955 122.820 -0.112 0.000 2.486 230 A HA 0.729 5.050 4.320 0.000 0.000 0.289 230 A C 0.466 178.012 177.584 -0.063 0.000 1.176 230 A CA -0.050 51.928 52.037 -0.099 0.000 0.757 230 A CB 1.193 20.144 19.000 -0.082 0.000 1.337 230 A HN 0.794 nan 8.150 nan 0.000 0.423 231 K N -0.419 119.952 120.400 -0.048 0.000 1.940 231 K HA -0.280 4.041 4.320 0.000 0.000 0.138 231 K C -0.850 175.740 176.600 -0.016 0.000 0.893 231 K CA 2.363 58.636 56.287 -0.023 0.000 0.361 231 K CB -1.432 31.057 32.500 -0.019 0.000 0.695 231 K HN 0.642 nan 8.250 nan 0.000 0.838 232 D N 2.195 122.585 120.400 -0.016 0.000 2.469 232 D HA 0.356 4.996 4.640 0.000 0.000 0.251 232 D C -0.790 175.496 176.300 -0.024 0.000 1.173 232 D CA -0.536 53.455 54.000 -0.015 0.000 0.882 232 D CB 1.187 41.982 40.800 -0.008 0.000 1.129 232 D HN 0.238 nan 8.370 nan 0.000 0.549 233 N N 0.244 118.925 118.700 -0.031 0.000 2.518 233 N HA 0.339 5.079 4.740 0.000 0.000 0.284 233 N C -0.971 174.521 175.510 -0.031 0.000 1.230 233 N CA -0.638 52.391 53.050 -0.034 0.000 0.941 233 N CB 2.262 40.724 38.487 -0.042 0.000 1.219 233 N HN 0.133 nan 8.380 nan 0.000 0.560 234 V N 1.956 121.852 119.914 -0.030 0.000 2.364 234 V HA 0.271 4.391 4.120 0.000 0.000 0.272 234 V C 0.823 176.911 176.094 -0.010 0.000 1.036 234 V CA -0.337 61.946 62.300 -0.028 0.000 0.880 234 V CB 0.554 32.355 31.823 -0.036 0.000 0.991 234 V HN 0.506 nan 8.190 nan 0.000 0.460 235 V N 3.959 123.877 119.914 0.006 0.000 3.621 235 V HA 0.868 4.989 4.120 0.000 0.000 0.285 235 V C 0.523 176.687 176.094 0.116 0.000 1.346 235 V CA 0.658 62.986 62.300 0.046 0.000 1.104 235 V CB -0.501 31.352 31.823 0.050 0.000 0.913 235 V HN 1.749 nan 8.190 nan 0.000 0.432 236 A N -0.365 122.490 122.820 0.059 0.000 2.550 236 A HA 0.633 4.953 4.320 0.000 0.000 0.295 236 A C -1.267 176.289 177.584 -0.046 0.000 1.001 236 A CA -0.788 51.286 52.037 0.061 0.000 0.660 236 A CB 0.949 19.992 19.000 0.072 0.000 1.308 236 A HN 0.154 nan 8.150 nan 0.000 0.426 237 K N 0.931 121.287 120.400 -0.073 0.000 2.471 237 K HA 0.695 5.015 4.320 0.000 0.000 0.252 237 K C -1.529 174.987 176.600 -0.141 0.000 0.938 237 K CA -0.352 55.859 56.287 -0.127 0.000 0.796 237 K CB 1.805 34.240 32.500 -0.110 0.000 1.161 237 K HN 0.589 nan 8.250 nan 0.000 0.425 238 I N 2.642 123.126 120.570 -0.144 0.000 2.465 238 I HA 0.236 4.407 4.170 0.000 0.000 0.291 238 I C -0.093 175.953 176.117 -0.119 0.000 1.014 238 I CA -0.911 60.304 61.300 -0.142 0.000 1.093 238 I CB 2.019 39.941 38.000 -0.130 0.000 1.267 238 I HN 0.373 nan 8.210 nan 0.000 0.431 239 Q N 2.946 122.647 119.800 -0.164 0.000 2.193 239 Q HA 0.647 4.987 4.340 0.000 0.000 0.246 239 Q C -0.210 175.699 176.000 -0.151 0.000 0.959 239 Q CA -0.429 55.253 55.803 -0.201 0.000 0.904 239 Q CB 2.467 30.957 28.738 -0.413 0.000 1.238 239 Q HN 0.881 nan 8.270 nan 0.000 0.469 240 G N 0.228 108.959 108.800 -0.113 0.000 2.630 240 G HA2 0.621 4.581 3.960 0.000 0.000 0.296 240 G HA3 0.621 4.581 3.960 0.000 0.000 0.296 240 G C -0.214 174.696 174.900 0.017 0.000 1.285 240 G CA -0.642 44.436 45.100 -0.037 0.000 0.958 240 G HN 0.594 nan 8.290 nan 0.000 0.479 241 M N -0.427 119.211 119.600 0.064 0.000 3.340 241 M HA 0.332 4.813 4.480 0.000 0.000 0.471 241 M C -0.635 175.713 176.300 0.081 0.000 1.550 241 M CA -0.376 54.991 55.300 0.112 0.000 0.754 241 M CB 1.004 33.697 32.600 0.155 0.000 1.485 241 M HN 0.248 nan 8.290 nan 0.000 0.530 242 D N 2.405 122.846 120.400 0.068 0.000 2.144 242 D HA 0.127 4.767 4.640 0.000 0.000 0.200 242 D C -1.758 174.601 176.300 0.098 0.000 0.978 242 D CA 1.000 55.043 54.000 0.072 0.000 0.833 242 D CB -0.970 39.865 40.800 0.059 0.000 0.961 242 D HN 0.330 nan 8.370 nan 0.000 0.470 243 P HA 0.175 nan 4.420 nan 0.000 0.282 243 P C -0.656 176.767 177.300 0.205 0.000 1.259 243 P CA -0.398 62.825 63.100 0.205 0.000 0.826 243 P CB 2.194 34.079 31.700 0.309 0.000 1.064 244 V N 2.157 122.233 119.914 0.270 0.000 2.914 244 V HA 0.675 4.795 4.120 0.000 0.000 0.314 244 V C -1.806 174.571 176.094 0.472 0.000 1.084 244 V CA -0.596 61.832 62.300 0.212 0.000 0.963 244 V CB 1.584 33.465 31.823 0.097 0.000 1.025 244 V HN 0.404 nan 8.190 nan 0.000 0.432 245 W N 4.696 125.968 121.300 -0.047 0.000 2.538 245 W HA 0.669 5.330 4.660 0.000 0.000 0.322 245 W C -0.433 176.045 176.519 -0.068 0.000 1.028 245 W CA -1.013 56.307 57.345 -0.041 0.000 1.228 245 W CB 1.709 31.151 29.460 -0.030 0.000 1.356 245 W HN 0.589 nan 8.180 nan 0.000 0.452 246 V N 1.322 121.281 119.914 0.075 0.000 2.459 246 V HA 0.870 4.991 4.120 0.000 0.000 0.295 246 V C -0.369 175.691 176.094 -0.058 0.000 1.029 246 V CA -0.428 61.867 62.300 -0.009 0.000 0.874 246 V CB 1.388 33.180 31.823 -0.052 0.000 0.985 246 V HN 0.376 nan 8.190 nan 0.000 0.438 247 T N 4.558 119.084 114.554 -0.048 0.000 2.848 247 T HA 0.847 5.198 4.350 0.000 0.000 0.285 247 T C -0.184 174.469 174.700 -0.079 0.000 0.995 247 T CA 0.063 62.121 62.100 -0.070 0.000 0.970 247 T CB 1.534 70.390 68.868 -0.020 0.000 0.976 247 T HN 1.416 nan 8.240 nan 0.000 0.441 248 A N 2.019 124.777 122.820 -0.103 0.000 2.413 248 A HA 0.921 5.241 4.320 0.000 0.000 0.307 248 A C -0.350 177.183 177.584 -0.085 0.000 1.087 248 A CA -0.878 51.110 52.037 -0.082 0.000 0.750 248 A CB 1.246 20.188 19.000 -0.097 0.000 1.296 248 A HN 1.010 nan 8.150 nan 0.000 0.423 249 A N 1.553 124.367 122.820 -0.010 0.000 2.331 249 A HA 0.661 4.981 4.320 0.000 0.000 0.283 249 A C -0.284 177.257 177.584 -0.072 0.000 1.142 249 A CA -0.114 51.925 52.037 0.003 0.000 0.812 249 A CB -0.049 18.996 19.000 0.075 0.000 1.074 249 A HN 0.641 nan 8.150 nan 0.000 0.497 250 I N 1.900 122.394 120.570 -0.127 0.000 3.206 250 I HA 0.592 4.762 4.170 0.000 0.000 0.313 250 I C -2.610 173.494 176.117 -0.022 0.000 1.103 250 I CA -2.644 58.529 61.300 -0.213 0.000 0.985 250 I CB 1.808 39.658 38.000 -0.249 0.000 1.240 250 I HN 0.308 nan 8.210 nan 0.000 0.464 251 P HA 0.376 nan 4.420 nan 0.000 0.301 251 P C 0.110 177.418 177.300 0.013 0.000 1.350 251 P CA -0.587 62.535 63.100 0.037 0.000 0.941 251 P CB 1.051 32.791 31.700 0.067 0.000 1.128 252 E N 0.826 121.048 120.200 0.036 0.000 2.114 252 E HA -0.242 4.108 4.350 0.000 0.000 0.199 252 E C 1.255 177.887 176.600 0.053 0.000 1.008 252 E CA 2.019 58.454 56.400 0.058 0.000 0.810 252 E CB -0.967 28.782 29.700 0.081 0.000 0.739 252 E HN 0.414 nan 8.360 nan 0.000 0.456 253 S N 1.641 117.350 115.700 0.015 0.000 2.368 253 S HA -0.128 4.342 4.470 0.000 0.000 0.225 253 S C 2.179 176.540 174.600 -0.399 0.000 1.030 253 S CA 1.053 59.191 58.200 -0.104 0.000 0.999 253 S CB -0.551 62.614 63.200 -0.059 0.000 0.844 253 S HN 0.219 nan 8.310 nan 0.000 0.459 254 I N 2.269 122.702 120.570 -0.229 0.000 2.286 254 I HA -0.180 3.990 4.170 0.000 0.000 0.248 254 I C 2.996 178.967 176.117 -0.242 0.000 1.115 254 I CA 1.160 62.307 61.300 -0.255 0.000 1.392 254 I CB -0.732 37.201 38.000 -0.112 0.000 1.065 254 I HN 0.387 nan 8.210 nan 0.000 0.418 255 A N 1.610 124.360 122.820 -0.116 0.000 1.902 255 A HA -0.238 4.082 4.320 0.000 0.000 0.217 255 A C 2.250 179.895 177.584 0.102 0.000 1.181 255 A CA 1.575 53.606 52.037 -0.010 0.000 0.623 255 A CB -1.152 17.876 19.000 0.047 0.000 0.818 255 A HN 0.774 nan 8.150 nan 0.000 0.443 256 W N -0.326 120.996 121.300 0.037 0.000 2.358 256 W HA -0.126 4.534 4.660 0.000 0.000 0.303 256 W C 1.284 177.822 176.519 0.031 0.000 1.208 256 W CA 0.674 58.043 57.345 0.040 0.000 1.274 256 W CB -0.523 28.957 29.460 0.033 0.000 1.138 256 W HN 0.173 nan 8.180 nan 0.000 0.515 257 L N 1.627 122.517 121.223 -0.555 0.000 2.083 257 L HA -0.162 4.178 4.340 0.000 0.000 0.209 257 L C 2.677 179.456 176.870 -0.152 0.000 1.083 257 L CA 1.283 55.660 54.840 -0.772 0.000 0.752 257 L CB -1.403 40.026 42.059 -1.051 0.000 0.899 257 L HN -0.016 nan 8.230 nan 0.000 0.433 258 V N 0.431 120.267 119.914 -0.129 0.000 2.278 258 V HA -0.358 3.762 4.120 0.000 0.000 0.251 258 V C 1.854 177.848 176.094 -0.166 0.000 1.062 258 V CA 1.945 64.147 62.300 -0.163 0.000 1.038 258 V CB -0.555 31.161 31.823 -0.178 0.000 0.646 258 V HN 0.534 nan 8.190 nan 0.000 0.447 259 K N -0.623 119.801 120.400 0.040 0.000 2.947 259 K HA -0.261 4.059 4.320 0.000 0.000 0.279 259 K C -0.006 176.656 176.600 0.105 0.000 1.052 259 K CA 1.616 57.991 56.287 0.147 0.000 0.838 259 K CB -0.627 31.939 32.500 0.109 0.000 1.230 259 K HN 0.576 nan 8.250 nan 0.000 0.436 260 D N -4.168 116.057 120.400 -0.291 0.000 2.742 260 D HA 0.314 4.955 4.640 0.000 0.000 0.262 260 D C 0.231 176.187 176.300 -0.573 0.000 1.240 260 D CA 0.133 54.076 54.000 -0.095 0.000 0.752 260 D CB 0.571 41.299 40.800 -0.120 0.000 1.290 260 D HN -0.109 nan 8.370 nan 0.000 0.420 261 A N 0.201 122.917 122.820 -0.173 0.000 1.972 261 A HA -0.130 4.191 4.320 0.000 0.000 0.219 261 A C 1.832 179.320 177.584 -0.159 0.000 1.169 261 A CA 2.510 54.513 52.037 -0.057 0.000 0.635 261 A CB -0.560 18.562 19.000 0.205 0.000 0.810 261 A HN 0.520 nan 8.150 nan 0.000 0.446 262 S N -0.021 115.571 115.700 -0.180 0.000 2.382 262 S HA -0.243 4.227 4.470 0.000 0.000 0.228 262 S C 1.640 176.122 174.600 -0.197 0.000 1.027 262 S CA 1.395 59.514 58.200 -0.136 0.000 0.991 262 S CB -0.541 62.598 63.200 -0.102 0.000 0.823 262 S HN 0.717 nan 8.310 nan 0.000 0.469 263 Q N 0.233 119.794 119.800 -0.398 0.000 2.466 263 Q HA 0.250 4.590 4.340 0.000 0.000 0.210 263 Q C -0.752 175.069 176.000 -0.298 0.000 0.961 263 Q CA 0.186 55.764 55.803 -0.374 0.000 0.953 263 Q CB -0.156 28.280 28.738 -0.503 0.000 1.011 263 Q HN 0.616 nan 8.270 nan 0.000 0.516 264 F N 0.192 120.071 119.950 -0.118 0.000 2.388 264 F HA 0.310 4.837 4.527 0.000 0.000 0.358 264 F C 0.173 175.948 175.800 -0.042 0.000 1.122 264 F CA -0.907 57.032 58.000 -0.102 0.000 1.056 264 F CB 1.734 40.647 39.000 -0.144 0.000 1.155 264 F HN -0.278 nan 8.300 nan 0.000 0.461 265 T N 5.233 119.899 114.554 0.186 0.000 2.812 265 T HA 0.395 4.745 4.350 0.000 0.000 0.282 265 T C -1.004 173.767 174.700 0.118 0.000 0.990 265 T CA -0.538 61.632 62.100 0.117 0.000 0.960 265 T CB 1.489 70.408 68.868 0.086 0.000 0.948 265 T HN 0.150 nan 8.240 nan 0.000 0.438 266 L N 3.379 124.657 121.223 0.092 0.000 2.298 266 L HA 0.614 4.954 4.340 0.000 0.000 0.284 266 L C 0.119 177.044 176.870 0.090 0.000 1.013 266 L CA -0.141 54.748 54.840 0.080 0.000 0.824 266 L CB 1.235 43.321 42.059 0.044 0.000 1.221 266 L HN 0.697 nan 8.230 nan 0.000 0.418 267 T N 4.574 119.205 114.554 0.128 0.000 2.824 267 T HA 0.696 5.046 4.350 0.000 0.000 0.282 267 T C -0.934 173.868 174.700 0.169 0.000 0.993 267 T CA -0.448 61.729 62.100 0.129 0.000 0.967 267 T CB 1.008 69.952 68.868 0.126 0.000 0.960 267 T HN 0.417 nan 8.240 nan 0.000 0.441 268 V N 4.377 124.366 119.914 0.125 0.000 2.604 268 V HA 0.638 4.758 4.120 0.000 0.000 0.305 268 V C -2.090 174.075 176.094 0.118 0.000 1.043 268 V CA -2.243 60.129 62.300 0.119 0.000 0.888 268 V CB 1.424 33.283 31.823 0.060 0.000 0.995 268 V HN 0.582 nan 8.190 nan 0.000 0.429 269 P HA -0.016 nan 4.420 nan 0.000 0.215 269 P C 0.551 177.891 177.300 0.067 0.000 1.157 269 P CA 2.174 65.343 63.100 0.116 0.000 0.874 269 P CB 0.126 31.902 31.700 0.126 0.000 0.790 270 A N -1.293 121.555 122.820 0.048 0.000 2.312 270 A HA 0.640 4.960 4.320 0.000 0.000 0.328 270 A C 0.443 178.044 177.584 0.029 0.000 1.158 270 A CA -0.471 51.586 52.037 0.032 0.000 0.821 270 A CB 0.241 19.254 19.000 0.022 0.000 1.170 270 A HN 0.005 nan 8.150 nan 0.000 0.490 271 R N -0.456 120.059 120.500 0.025 0.000 3.422 271 R HA -0.105 4.235 4.340 0.000 0.000 0.267 271 R C -2.394 173.922 176.300 0.028 0.000 1.074 271 R CA 0.719 56.833 56.100 0.023 0.000 0.718 271 R CB -2.075 28.236 30.300 0.020 0.000 1.157 271 R HN 0.550 nan 8.270 nan 0.000 0.440 272 P HA -0.027 nan 4.420 nan 0.000 0.257 272 P C -0.092 177.224 177.300 0.027 0.000 1.359 272 P CA 0.495 63.615 63.100 0.033 0.000 1.239 272 P CB 0.453 32.173 31.700 0.033 0.000 1.549 273 D N 2.590 123.006 120.400 0.027 0.000 2.311 273 D HA 0.122 4.762 4.640 0.000 0.000 0.284 273 D C 0.841 177.155 176.300 0.023 0.000 1.182 273 D CA -0.278 53.736 54.000 0.023 0.000 1.111 273 D CB 0.725 41.539 40.800 0.023 0.000 1.176 273 D HN -0.057 nan 8.370 nan 0.000 0.539 274 K N -0.943 119.471 120.400 0.022 0.000 2.675 274 K HA 0.033 4.353 4.320 0.000 0.000 0.326 274 K C 0.072 176.687 176.600 0.026 0.000 0.935 274 K CA 0.849 57.150 56.287 0.023 0.000 1.085 274 K CB -0.309 32.205 32.500 0.023 0.000 1.096 274 K HN 0.386 nan 8.250 nan 0.000 0.644 275 T N 0.848 115.419 114.554 0.028 0.000 2.916 275 T HA 0.451 4.801 4.350 0.000 0.000 0.292 275 T C -0.822 173.899 174.700 0.035 0.000 1.055 275 T CA -0.852 61.267 62.100 0.032 0.000 1.009 275 T CB 1.034 69.921 68.868 0.032 0.000 1.118 275 T HN 0.226 nan 8.240 nan 0.000 0.497 276 L N 1.518 122.764 121.223 0.039 0.000 2.334 276 L HA 0.671 5.011 4.340 0.000 0.000 0.275 276 L C -0.130 176.768 176.870 0.046 0.000 1.036 276 L CA -0.921 53.944 54.840 0.041 0.000 0.807 276 L CB 0.958 43.040 42.059 0.039 0.000 1.231 276 L HN 0.598 nan 8.230 nan 0.000 0.438 277 T N 2.223 116.806 114.554 0.048 0.000 2.797 277 T HA 0.591 4.941 4.350 0.000 0.000 0.279 277 T C -0.184 174.552 174.700 0.060 0.000 0.991 277 T CA -0.424 61.709 62.100 0.056 0.000 0.979 277 T CB 1.717 70.617 68.868 0.053 0.000 0.943 277 T HN 0.213 nan 8.240 nan 0.000 0.444 278 I N 3.709 124.324 120.570 0.074 0.000 2.312 278 I HA 0.304 4.474 4.170 0.000 0.000 0.291 278 I C 1.683 177.861 176.117 0.101 0.000 1.031 278 I CA -0.472 60.873 61.300 0.075 0.000 1.293 278 I CB 0.740 38.797 38.000 0.095 0.000 1.403 278 I HN 0.645 nan 8.210 nan 0.000 0.484 279 R N 5.767 126.318 120.500 0.084 0.000 2.280 279 R HA 0.236 4.576 4.340 0.000 0.000 0.195 279 R C 0.268 176.623 176.300 0.091 0.000 0.935 279 R CA 0.142 56.293 56.100 0.085 0.000 1.033 279 R CB 0.148 30.489 30.300 0.069 0.000 0.964 279 R HN 0.682 nan 8.270 nan 0.000 0.489 280 K N -0.191 120.270 120.400 0.102 0.000 2.614 280 K HA 0.305 4.626 4.320 0.000 0.000 0.293 280 K C -1.975 174.729 176.600 0.173 0.000 1.045 280 K CA -1.087 55.247 56.287 0.079 0.000 0.880 280 K CB 1.297 33.788 32.500 -0.014 0.000 1.552 280 K HN 0.179 nan 8.250 nan 0.000 0.404 281 W N 0.409 121.676 121.300 -0.054 0.000 3.464 281 W HA 0.541 5.201 4.660 0.000 0.000 0.292 281 W C -2.232 174.239 176.519 -0.079 0.000 1.262 281 W CA -0.440 56.854 57.345 -0.085 0.000 1.202 281 W CB 1.053 30.529 29.460 0.025 0.000 1.334 281 W HN 0.955 nan 8.180 nan 0.000 0.561 282 T N 1.786 116.393 114.554 0.088 0.000 2.853 282 T HA 0.644 4.994 4.350 0.000 0.000 0.311 282 T C -2.355 172.418 174.700 0.121 0.000 1.307 282 T CA -0.633 61.397 62.100 -0.116 0.000 1.019 282 T CB 2.230 70.979 68.868 -0.200 0.000 1.264 282 T HN 0.662 nan 8.240 nan 0.000 0.497 283 L N 3.140 124.412 121.223 0.082 0.000 2.325 283 L HA 0.644 4.984 4.340 0.000 0.000 0.281 283 L C -0.927 175.964 176.870 0.035 0.000 1.004 283 L CA -0.942 53.972 54.840 0.124 0.000 0.823 283 L CB 1.286 43.472 42.059 0.211 0.000 1.236 283 L HN 0.655 nan 8.230 nan 0.000 0.415 284 L N 6.925 128.159 121.223 0.018 0.000 2.302 284 L HA 0.337 4.677 4.340 0.000 0.000 0.285 284 L C -1.465 175.420 176.870 0.025 0.000 1.090 284 L CA -1.627 53.220 54.840 0.012 0.000 0.866 284 L CB 0.379 42.444 42.059 0.009 0.000 1.244 284 L HN 0.465 nan 8.230 nan 0.000 0.435 285 P HA -0.212 nan 4.420 nan 0.000 0.220 285 P C 1.046 178.365 177.300 0.032 0.000 1.146 285 P CA 0.981 64.101 63.100 0.034 0.000 0.816 285 P CB 0.019 31.737 31.700 0.029 0.000 0.764 286 G N 0.570 109.387 108.800 0.028 0.000 2.305 286 G HA2 0.228 4.188 3.960 0.000 0.000 0.281 286 G HA3 0.228 4.188 3.960 0.000 0.000 0.281 286 G C 0.169 175.085 174.900 0.027 0.000 1.085 286 G CA -0.324 44.793 45.100 0.027 0.000 1.211 286 G HN 0.202 nan 8.290 nan 0.000 0.421 287 V N 1.215 121.146 119.914 0.029 0.000 2.555 287 V HA 0.242 4.363 4.120 0.000 0.000 0.286 287 V C 0.039 176.149 176.094 0.027 0.000 1.044 287 V CA -1.417 60.901 62.300 0.030 0.000 1.026 287 V CB 1.264 33.107 31.823 0.033 0.000 0.981 287 V HN 0.435 nan 8.190 nan 0.000 0.480 288 D N 3.617 124.033 120.400 0.026 0.000 2.390 288 D HA 0.396 5.036 4.640 0.000 0.000 0.249 288 D C 1.066 177.381 176.300 0.025 0.000 1.144 288 D CA 0.719 54.734 54.000 0.024 0.000 0.880 288 D CB 1.901 42.715 40.800 0.024 0.000 1.182 288 D HN 0.822 nan 8.370 nan 0.000 0.451 289 A N 3.075 125.908 122.820 0.023 0.000 1.902 289 A HA 0.040 4.361 4.320 0.000 0.000 0.217 289 A C 1.212 178.810 177.584 0.023 0.000 1.181 289 A CA 1.322 53.372 52.037 0.022 0.000 0.623 289 A CB -0.385 18.627 19.000 0.020 0.000 0.818 289 A HN 0.629 nan 8.150 nan 0.000 0.443 290 A N -0.337 122.496 122.820 0.022 0.000 2.498 290 A HA 0.460 4.780 4.320 0.000 0.000 0.239 290 A C 1.334 178.934 177.584 0.026 0.000 1.068 290 A CA 0.688 52.738 52.037 0.022 0.000 0.766 290 A CB -0.686 18.326 19.000 0.020 0.000 1.003 290 A HN 1.765 nan 8.150 nan 0.000 0.497 291 T N 0.181 114.751 114.554 0.026 0.000 14.105 291 T HA -0.267 4.083 4.350 0.000 0.000 0.419 291 T C 0.112 174.832 174.700 0.034 0.000 1.441 291 T CA 1.290 63.408 62.100 0.031 0.000 2.334 291 T CB -0.743 68.147 68.868 0.036 0.000 2.761 291 T HN 1.403 nan 8.240 nan 0.000 0.290 292 R N 2.770 123.294 120.500 0.040 0.000 2.994 292 R HA 0.488 4.828 4.340 0.000 0.000 0.219 292 R C -0.286 176.040 176.300 0.044 0.000 1.645 292 R CA 0.288 56.413 56.100 0.041 0.000 1.362 292 R CB 0.683 31.008 30.300 0.043 0.000 1.572 292 R HN 1.201 nan 8.270 nan 0.000 0.659 293 T N -2.039 112.539 114.554 0.040 0.000 2.912 293 T HA 0.651 5.001 4.350 0.000 0.000 0.288 293 T C 0.007 174.722 174.700 0.025 0.000 1.030 293 T CA -0.830 61.292 62.100 0.036 0.000 1.020 293 T CB 2.061 70.954 68.868 0.042 0.000 1.056 293 T HN 0.058 nan 8.240 nan 0.000 0.480 294 L N 1.737 122.967 121.223 0.012 0.000 2.334 294 L HA 0.445 4.785 4.340 0.000 0.000 0.276 294 L C 0.106 176.969 176.870 -0.013 0.000 1.014 294 L CA -0.671 54.175 54.840 0.010 0.000 0.815 294 L CB 1.980 44.049 42.059 0.017 0.000 1.268 294 L HN 0.851 nan 8.230 nan 0.000 0.428 295 Q N 2.499 122.295 119.800 -0.006 0.000 2.241 295 Q HA 0.441 4.782 4.340 0.000 0.000 0.254 295 Q C -1.114 174.865 176.000 -0.035 0.000 0.917 295 Q CA -0.680 55.108 55.803 -0.024 0.000 0.919 295 Q CB 2.588 31.321 28.738 -0.010 0.000 1.237 295 Q HN 0.285 nan 8.270 nan 0.000 0.434 296 L N 2.625 123.802 121.223 -0.077 0.000 2.313 296 L HA 0.405 4.745 4.340 0.000 0.000 0.283 296 L C -0.843 175.946 176.870 -0.134 0.000 1.013 296 L CA -0.147 54.641 54.840 -0.087 0.000 0.816 296 L CB 1.421 43.378 42.059 -0.170 0.000 1.236 296 L HN 0.488 nan 8.230 nan 0.000 0.419 297 R N 5.457 125.876 120.500 -0.134 0.000 2.295 297 R HA 0.600 4.940 4.340 0.000 0.000 0.324 297 R C -1.683 174.464 176.300 -0.256 0.000 0.968 297 R CA -0.536 55.403 56.100 -0.268 0.000 0.837 297 R CB 0.654 30.692 30.300 -0.437 0.000 1.133 297 R HN 0.680 nan 8.270 nan 0.000 0.450 298 L N 4.388 125.444 121.223 -0.278 0.000 2.298 298 L HA 0.331 4.671 4.340 0.000 0.000 0.284 298 L C -0.065 176.682 176.870 -0.204 0.000 1.013 298 L CA -0.527 54.180 54.840 -0.222 0.000 0.824 298 L CB 1.792 43.693 42.059 -0.263 0.000 1.221 298 L HN 0.656 nan 8.230 nan 0.000 0.418 299 E N 4.175 124.280 120.200 -0.157 0.000 2.001 299 E HA 0.296 4.646 4.350 0.000 0.000 0.279 299 E C -1.138 175.490 176.600 0.047 0.000 1.045 299 E CA -0.603 55.754 56.400 -0.071 0.000 0.833 299 E CB 0.998 30.678 29.700 -0.033 0.000 1.077 299 E HN 0.329 nan 8.360 nan 0.000 0.397 300 V N 4.414 124.378 119.914 0.082 0.000 2.498 300 V HA 0.011 4.131 4.120 0.000 0.000 0.279 300 V C 0.641 176.789 176.094 0.089 0.000 1.048 300 V CA -0.559 61.785 62.300 0.072 0.000 0.967 300 V CB 1.357 33.212 31.823 0.053 0.000 0.988 300 V HN 0.766 nan 8.190 nan 0.000 0.473 301 D N 4.108 124.552 120.400 0.073 0.000 2.359 301 D HA -0.057 4.583 4.640 0.000 0.000 0.273 301 D C 0.187 176.524 176.300 0.060 0.000 1.362 301 D CA 0.241 54.283 54.000 0.069 0.000 1.010 301 D CB 0.053 40.887 40.800 0.057 0.000 1.090 301 D HN 0.535 nan 8.370 nan 0.000 0.521 302 N N 2.223 120.963 118.700 0.067 0.000 3.034 302 N HA 0.177 4.917 4.740 0.000 0.000 0.265 302 N C 0.435 175.976 175.510 0.051 0.000 1.166 302 N CA -0.398 52.686 53.050 0.056 0.000 1.081 302 N CB 0.621 39.143 38.487 0.059 0.000 1.378 302 N HN 0.298 nan 8.380 nan 0.000 0.520 303 A N 1.498 124.345 122.820 0.044 0.000 1.887 303 A HA 0.034 4.354 4.320 0.000 0.000 0.212 303 A C 1.012 178.615 177.584 0.032 0.000 1.198 303 A CA 0.404 52.464 52.037 0.037 0.000 0.628 303 A CB -0.407 18.613 19.000 0.034 0.000 0.847 303 A HN 0.600 nan 8.150 nan 0.000 0.449 304 D N -0.355 120.064 120.400 0.031 0.000 2.393 304 D HA 0.116 4.756 4.640 0.000 0.000 0.246 304 D C 0.480 176.796 176.300 0.028 0.000 1.275 304 D CA 0.088 54.104 54.000 0.027 0.000 0.979 304 D CB 0.423 41.238 40.800 0.025 0.000 1.101 304 D HN 0.289 nan 8.370 nan 0.000 0.505 305 E N -0.777 119.438 120.200 0.025 0.000 2.463 305 E HA 0.246 4.596 4.350 0.000 0.000 0.193 305 E C -0.457 176.157 176.600 0.024 0.000 1.041 305 E CA -0.202 56.214 56.400 0.026 0.000 0.879 305 E CB 0.496 30.209 29.700 0.023 0.000 0.997 305 E HN 0.371 nan 8.360 nan 0.000 0.478 306 A N 1.827 124.660 122.820 0.022 0.000 3.016 306 A HA 0.401 4.721 4.320 0.000 0.000 0.303 306 A C -0.642 176.948 177.584 0.010 0.000 1.507 306 A CA -0.240 51.807 52.037 0.016 0.000 1.196 306 A CB -0.256 18.754 19.000 0.016 0.000 1.169 306 A HN 0.150 nan 8.150 nan 0.000 0.544 307 L N 0.919 122.146 121.223 0.006 0.000 2.482 307 L HA 0.694 5.034 4.340 0.000 0.000 0.263 307 L C -1.554 175.288 176.870 -0.047 0.000 0.957 307 L CA -0.150 54.680 54.840 -0.017 0.000 0.836 307 L CB 1.953 44.007 42.059 -0.008 0.000 1.324 307 L HN 0.247 nan 8.230 nan 0.000 0.406 308 K N 4.845 125.192 120.400 -0.088 0.000 2.550 308 K HA 0.508 4.828 4.320 0.000 0.000 0.252 308 K C -2.825 173.650 176.600 -0.208 0.000 0.943 308 K CA -1.770 54.433 56.287 -0.140 0.000 0.806 308 K CB 2.373 34.839 32.500 -0.057 0.000 1.289 308 K HN 0.290 nan 8.250 nan 0.000 0.435 309 P HA 0.031 nan 4.420 nan 0.000 0.267 309 P C 0.419 177.607 177.300 -0.188 0.000 1.200 309 P CA 0.592 63.454 63.100 -0.396 0.000 0.772 309 P CB 0.429 31.777 31.700 -0.586 0.000 0.855 310 G N 1.271 109.991 108.800 -0.132 0.000 2.295 310 G HA2 -0.264 3.697 3.960 0.000 0.000 0.287 310 G HA3 -0.264 3.697 3.960 0.000 0.000 0.287 310 G C -0.149 174.709 174.900 -0.069 0.000 1.055 310 G CA -0.139 44.912 45.100 -0.082 0.000 0.922 310 G HN 0.474 nan 8.290 nan 0.000 0.503 311 M N -0.708 118.846 119.600 -0.077 0.000 2.716 311 M HA 0.424 4.904 4.480 0.000 0.000 0.307 311 M C -0.414 175.843 176.300 -0.073 0.000 1.223 311 M CA -0.993 54.272 55.300 -0.059 0.000 0.871 311 M CB 1.447 34.015 32.600 -0.054 0.000 1.739 311 M HN 0.090 nan 8.290 nan 0.000 0.475 312 N N 0.832 119.493 118.700 -0.064 0.000 2.473 312 N HA 0.737 5.478 4.740 0.000 0.000 0.291 312 N C -1.441 173.999 175.510 -0.117 0.000 1.083 312 N CA -0.155 52.825 53.050 -0.117 0.000 0.951 312 N CB 1.767 40.184 38.487 -0.116 0.000 1.164 312 N HN 0.691 nan 8.380 nan 0.000 0.480 313 A N 1.238 123.933 122.820 -0.208 0.000 2.539 313 A HA 0.701 5.021 4.320 0.000 0.000 0.296 313 A C -1.816 175.597 177.584 -0.285 0.000 1.073 313 A CA -0.689 51.268 52.037 -0.134 0.000 0.700 313 A CB 0.996 19.959 19.000 -0.062 0.000 1.296 313 A HN 0.641 nan 8.150 nan 0.000 0.405 314 W N 0.982 122.291 121.300 0.016 0.000 2.587 314 W HA 0.576 5.236 4.660 0.000 0.000 0.324 314 W C -0.555 175.988 176.519 0.039 0.000 1.040 314 W CA -0.440 56.923 57.345 0.030 0.000 1.222 314 W CB 2.059 31.532 29.460 0.021 0.000 1.381 314 W HN 0.562 nan 8.180 nan 0.000 0.483 315 L N 4.083 125.492 121.223 0.311 0.000 2.280 315 L HA 0.422 4.762 4.340 0.000 0.000 0.287 315 L C -0.199 176.844 176.870 0.289 0.000 1.023 315 L CA -0.820 54.147 54.840 0.211 0.000 0.819 315 L CB 1.100 43.221 42.059 0.103 0.000 1.212 315 L HN 0.514 nan 8.230 nan 0.000 0.420 316 Q N 4.411 124.344 119.800 0.221 0.000 2.322 316 Q HA 0.541 4.881 4.340 0.000 0.000 0.256 316 Q C -1.600 174.523 176.000 0.205 0.000 0.960 316 Q CA -0.260 55.660 55.803 0.196 0.000 0.934 316 Q CB 1.261 30.072 28.738 0.122 0.000 1.200 316 Q HN 0.721 nan 8.270 nan 0.000 0.435 317 L N 4.432 125.800 121.223 0.242 0.000 2.329 317 L HA 0.639 4.979 4.340 0.000 0.000 0.279 317 L C -1.522 175.417 176.870 0.115 0.000 1.014 317 L CA -0.318 54.633 54.840 0.184 0.000 0.814 317 L CB 1.785 43.954 42.059 0.184 0.000 1.257 317 L HN 0.751 nan 8.230 nan 0.000 0.424 318 N N 2.222 120.930 118.700 0.014 0.000 2.319 318 N HA 0.695 5.436 4.740 0.000 0.000 0.305 318 N C -0.853 174.614 175.510 -0.071 0.000 1.103 318 N CA -0.437 52.605 53.050 -0.013 0.000 0.815 318 N CB 2.102 40.561 38.487 -0.047 0.000 1.288 318 N HN 0.642 nan 8.380 nan 0.000 0.493 319 T N -0.057 114.464 114.554 -0.056 0.000 2.864 319 T HA 0.879 5.229 4.350 0.000 0.000 0.289 319 T C -0.878 173.650 174.700 -0.285 0.000 1.082 319 T CA -0.543 61.473 62.100 -0.140 0.000 1.009 319 T CB 1.955 70.789 68.868 -0.056 0.000 1.234 319 T HN 0.558 nan 8.240 nan 0.000 0.526 320 A N 0.989 123.622 122.820 -0.313 0.000 2.479 320 A HA 0.933 5.253 4.320 0.000 0.000 0.296 320 A C -0.552 176.819 177.584 -0.355 0.000 1.121 320 A CA -0.688 51.133 52.037 -0.359 0.000 0.743 320 A CB 1.472 20.348 19.000 -0.207 0.000 1.323 320 A HN 0.997 nan 8.150 nan 0.000 0.415 321 S N -0.372 115.129 115.700 -0.332 0.000 2.632 321 S HA 0.624 5.095 4.470 0.000 0.000 0.289 321 S C -0.498 174.024 174.600 -0.129 0.000 1.115 321 S CA -0.565 57.507 58.200 -0.214 0.000 0.889 321 S CB 0.962 64.004 63.200 -0.262 0.000 1.116 321 S HN 1.015 nan 8.310 nan 0.000 0.486 322 E N 0.379 120.533 120.200 -0.076 0.000 2.534 322 E HA 0.161 4.511 4.350 0.000 0.000 0.264 322 E C -2.563 173.973 176.600 -0.108 0.000 0.981 322 E CA -1.126 55.235 56.400 -0.065 0.000 0.948 322 E CB -0.946 28.725 29.700 -0.048 0.000 0.934 322 E HN 0.261 nan 8.360 nan 0.000 0.459 323 P HA -0.076 nan 4.420 nan 0.000 0.261 323 P C -0.623 176.617 177.300 -0.101 0.000 1.183 323 P CA 0.870 63.917 63.100 -0.088 0.000 0.761 323 P CB 0.353 32.017 31.700 -0.060 0.000 0.785 324 M N 1.804 121.338 119.600 -0.111 0.000 2.761 324 M HA 0.485 4.965 4.480 0.000 0.000 0.305 324 M C -0.598 175.667 176.300 -0.058 0.000 1.235 324 M CA -1.369 53.868 55.300 -0.105 0.000 0.850 324 M CB 1.130 33.622 32.600 -0.181 0.000 1.744 324 M HN -0.089 nan 8.290 nan 0.000 0.480 325 L N 2.497 123.700 121.223 -0.033 0.000 2.477 325 L HA 0.212 4.553 4.340 0.000 0.000 0.272 325 L C -0.797 176.068 176.870 -0.008 0.000 1.157 325 L CA -0.344 54.488 54.840 -0.014 0.000 0.889 325 L CB -0.023 42.036 42.059 0.000 0.000 1.158 325 L HN 0.437 nan 8.230 nan 0.000 0.473 326 L N 5.832 127.049 121.223 -0.010 0.000 2.316 326 L HA 0.486 4.826 4.340 0.000 0.000 0.280 326 L C -0.070 176.799 176.870 -0.002 0.000 1.006 326 L CA -0.376 54.460 54.840 -0.007 0.000 0.836 326 L CB 1.364 43.412 42.059 -0.018 0.000 1.221 326 L HN 0.502 nan 8.230 nan 0.000 0.418 327 I N 3.172 123.745 120.570 0.006 0.000 2.707 327 I HA 0.646 4.816 4.170 0.000 0.000 0.309 327 I C -2.367 173.752 176.117 0.004 0.000 1.001 327 I CA -2.210 59.093 61.300 0.004 0.000 1.129 327 I CB 1.709 39.713 38.000 0.006 0.000 1.308 327 I HN 0.301 nan 8.210 nan 0.000 0.466 328 P HA 0.274 nan 4.420 nan 0.000 0.238 328 P C 0.494 177.794 177.300 0.000 0.000 1.794 328 P CA -0.068 63.031 63.100 -0.001 0.000 1.088 328 P CB 0.729 32.426 31.700 -0.004 0.000 1.923 329 S N 1.912 117.616 115.700 0.006 0.000 2.830 329 S HA -0.415 4.055 4.470 0.000 0.000 0.390 329 S C 1.844 176.442 174.600 -0.002 0.000 1.406 329 S CA 2.317 60.520 58.200 0.006 0.000 1.397 329 S CB -1.257 61.948 63.200 0.008 0.000 1.403 329 S HN 0.505 nan 8.310 nan 0.000 0.467 330 Q N 0.302 120.098 119.800 -0.006 0.000 2.096 330 Q HA -0.150 4.191 4.340 0.000 0.000 0.208 330 Q C 2.024 178.013 176.000 -0.018 0.000 0.993 330 Q CA 1.628 57.423 55.803 -0.012 0.000 0.862 330 Q CB -0.283 28.447 28.738 -0.012 0.000 0.915 330 Q HN 0.748 nan 8.270 nan 0.000 0.416 331 A N 0.327 123.137 122.820 -0.015 0.000 2.346 331 A HA 0.240 4.560 4.320 0.000 0.000 0.242 331 A C 0.163 177.738 177.584 -0.016 0.000 1.323 331 A CA -0.087 51.938 52.037 -0.020 0.000 0.940 331 A CB -0.328 18.660 19.000 -0.019 0.000 0.943 331 A HN 0.258 nan 8.150 nan 0.000 0.501 332 L N -0.184 121.032 121.223 -0.013 0.000 2.325 332 L HA 0.815 5.155 4.340 0.000 0.000 0.278 332 L C -1.023 175.838 176.870 -0.016 0.000 1.023 332 L CA -0.879 53.956 54.840 -0.008 0.000 0.811 332 L CB 1.738 43.798 42.059 0.002 0.000 1.249 332 L HN 0.225 nan 8.230 nan 0.000 0.431 333 I N 3.524 124.086 120.570 -0.014 0.000 2.649 333 I HA 0.431 4.601 4.170 0.000 0.000 0.289 333 I C -1.733 174.377 176.117 -0.011 0.000 1.222 333 I CA -0.067 61.222 61.300 -0.018 0.000 1.046 333 I CB 1.901 39.882 38.000 -0.031 0.000 1.272 333 I HN 0.755 nan 8.210 nan 0.000 0.425 334 D N 2.925 123.318 120.400 -0.012 0.000 2.523 334 D HA 0.680 5.320 4.640 0.000 0.000 0.236 334 D C -0.279 176.013 176.300 -0.015 0.000 1.094 334 D CA -0.074 53.920 54.000 -0.010 0.000 0.942 334 D CB 2.029 42.824 40.800 -0.008 0.000 1.447 334 D HN 0.435 nan 8.370 nan 0.000 0.479 335 T N -2.620 111.926 114.554 -0.014 0.000 3.130 335 T HA 0.520 4.870 4.350 0.000 0.000 0.288 335 T C 0.803 175.496 174.700 -0.013 0.000 0.936 335 T CA 0.132 62.222 62.100 -0.015 0.000 0.897 335 T CB 0.525 69.383 68.868 -0.017 0.000 1.178 335 T HN 0.590 nan 8.240 nan 0.000 0.543 336 G N 0.819 109.613 108.800 -0.011 0.000 3.382 336 G HA2 0.473 4.434 3.960 0.000 0.000 0.183 336 G HA3 0.473 4.434 3.960 0.000 0.000 0.183 336 G C 0.519 175.414 174.900 -0.009 0.000 1.246 336 G CA 0.236 45.330 45.100 -0.010 0.000 0.828 336 G HN 0.064 nan 8.290 nan 0.000 0.728 337 S N 0.534 116.230 115.700 -0.007 0.000 2.503 337 S HA 0.126 4.596 4.470 0.000 0.000 0.215 337 S C 0.811 175.410 174.600 -0.003 0.000 1.003 337 S CA 0.070 58.266 58.200 -0.006 0.000 0.910 337 S CB -0.126 63.071 63.200 -0.005 0.000 0.790 337 S HN 0.583 nan 8.310 nan 0.000 0.514 338 E N 1.951 122.150 120.200 -0.002 0.000 2.413 338 E HA 0.034 4.384 4.350 0.000 0.000 0.263 338 E C -0.531 176.069 176.600 0.000 0.000 1.015 338 E CA 0.474 56.875 56.400 0.001 0.000 0.916 338 E CB 0.363 30.064 29.700 0.002 0.000 0.947 338 E HN 0.094 nan 8.360 nan 0.000 0.440 339 Q N 2.247 122.049 119.800 0.003 0.000 4.082 339 Q HA 0.155 4.495 4.340 0.000 0.000 0.180 339 Q C -0.983 175.022 176.000 0.008 0.000 0.863 339 Q CA -0.157 55.648 55.803 0.004 0.000 0.772 339 Q CB 0.609 29.350 28.738 0.004 0.000 1.527 339 Q HN 0.821 nan 8.270 nan 0.000 0.441 340 R N -1.594 118.910 120.500 0.006 0.000 3.974 340 R HA 0.587 4.927 4.340 0.000 0.000 0.258 340 R C -0.522 175.783 176.300 0.008 0.000 0.895 340 R CA 0.026 56.132 56.100 0.010 0.000 0.725 340 R CB -0.346 29.963 30.300 0.015 0.000 1.848 340 R HN 0.146 nan 8.270 nan 0.000 0.416 341 V N -4.220 115.703 119.914 0.015 0.000 3.280 341 V HA 0.589 4.709 4.120 0.000 0.000 0.307 341 V C -1.372 174.737 176.094 0.025 0.000 1.779 341 V CA -0.999 61.309 62.300 0.014 0.000 0.962 341 V CB 1.058 32.884 31.823 0.005 0.000 1.014 341 V HN 0.574 nan 8.190 nan 0.000 0.486 342 I N 2.204 122.781 120.570 0.012 0.000 2.405 342 I HA 0.570 4.740 4.170 0.000 0.000 0.280 342 I C 0.304 176.406 176.117 -0.026 0.000 1.027 342 I CA 0.055 61.359 61.300 0.006 0.000 1.161 342 I CB 0.711 38.708 38.000 -0.006 0.000 1.300 342 I HN 0.886 nan 8.210 nan 0.000 0.463 343 T N 5.332 119.892 114.554 0.011 0.000 2.907 343 T HA 0.500 4.850 4.350 0.000 0.000 0.298 343 T C 0.331 175.039 174.700 0.014 0.000 1.017 343 T CA -0.326 61.782 62.100 0.013 0.000 1.118 343 T CB 1.678 70.567 68.868 0.035 0.000 0.948 343 T HN 0.214 nan 8.240 nan 0.000 0.531 344 V N 1.995 121.913 119.914 0.006 0.000 2.715 344 V HA 0.354 4.474 4.120 0.000 0.000 0.310 344 V C -0.243 175.882 176.094 0.052 0.000 1.054 344 V CA -0.762 61.567 62.300 0.047 0.000 0.928 344 V CB 2.122 33.946 31.823 0.001 0.000 1.007 344 V HN 0.871 nan 8.190 nan 0.000 0.437 345 D N 2.679 123.121 120.400 0.071 0.000 2.593 345 D HA 0.454 5.095 4.640 0.000 0.000 0.241 345 D C 1.319 177.640 176.300 0.034 0.000 1.257 345 D CA 0.603 54.631 54.000 0.046 0.000 0.828 345 D CB 0.948 41.776 40.800 0.046 0.000 1.049 345 D HN 0.772 nan 8.370 nan 0.000 0.490 346 A N 0.559 123.399 122.820 0.033 0.000 4.529 346 A HA -0.358 3.962 4.320 0.000 0.000 0.259 346 A C 1.392 178.991 177.584 0.026 0.000 0.736 346 A CA 2.080 54.132 52.037 0.025 0.000 1.138 346 A CB -1.624 17.386 19.000 0.016 0.000 1.079 346 A HN 0.287 nan 8.150 nan 0.000 0.725 347 D N -0.476 119.941 120.400 0.028 0.000 2.371 347 D HA 0.344 4.985 4.640 0.000 0.000 0.221 347 D C 1.646 177.958 176.300 0.020 0.000 0.986 347 D CA 1.961 55.971 54.000 0.016 0.000 0.899 347 D CB -0.454 40.351 40.800 0.008 0.000 0.902 347 D HN 1.697 nan 8.370 nan 0.000 0.530 348 G N 1.247 110.083 108.800 0.061 0.000 2.168 348 G HA2 -0.372 3.589 3.960 0.000 0.000 0.257 348 G HA3 -0.372 3.589 3.960 0.000 0.000 0.257 348 G C 0.192 175.147 174.900 0.092 0.000 0.997 348 G CA 0.434 45.597 45.100 0.105 0.000 0.708 348 G HN 0.533 nan 8.290 nan 0.000 0.520 349 R N -0.819 119.735 120.500 0.091 0.000 2.445 349 R HA 0.754 5.095 4.340 0.000 0.000 0.308 349 R C -0.122 176.347 176.300 0.282 0.000 0.961 349 R CA -1.098 54.995 56.100 -0.012 0.000 0.862 349 R CB 1.103 31.381 30.300 -0.038 0.000 1.144 349 R HN -0.041 nan 8.270 nan 0.000 0.447 350 F N 1.770 121.677 119.950 -0.072 0.000 2.368 350 F HA 0.696 5.223 4.527 0.000 0.000 0.308 350 F C 0.747 176.544 175.800 -0.006 0.000 1.198 350 F CA -1.455 56.519 58.000 -0.044 0.000 1.130 350 F CB 0.712 39.667 39.000 -0.075 0.000 1.300 350 F HN 0.427 nan 8.300 nan 0.000 0.537 351 V N 0.668 120.727 119.914 0.243 0.000 3.265 351 V HA 0.564 4.684 4.120 0.000 0.000 0.275 351 V C -3.065 173.095 176.094 0.111 0.000 1.684 351 V CA -1.505 60.879 62.300 0.140 0.000 1.032 351 V CB 2.750 34.627 31.823 0.091 0.000 1.250 351 V HN 0.605 nan 8.190 nan 0.000 0.468 352 P HA 0.577 nan 4.420 nan 0.000 0.306 352 P C -1.842 175.486 177.300 0.047 0.000 1.385 352 P CA -0.537 62.603 63.100 0.067 0.000 0.915 352 P CB 1.771 33.510 31.700 0.064 0.000 1.013 353 K N 3.259 123.682 120.400 0.039 0.000 2.324 353 K HA 0.434 4.755 4.320 0.000 0.000 0.253 353 K C 0.180 176.795 176.600 0.025 0.000 0.932 353 K CA -0.720 55.585 56.287 0.030 0.000 0.799 353 K CB 2.536 35.052 32.500 0.027 0.000 1.154 353 K HN 0.428 nan 8.250 nan 0.000 0.425 354 R N 1.113 121.627 120.500 0.023 0.000 2.297 354 R HA 0.414 4.754 4.340 0.000 0.000 0.308 354 R C 0.012 176.325 176.300 0.021 0.000 1.029 354 R CA -0.755 55.357 56.100 0.020 0.000 0.929 354 R CB 1.034 31.344 30.300 0.018 0.000 1.046 354 R HN 0.382 nan 8.270 nan 0.000 0.461 355 V N -0.799 119.128 119.914 0.022 0.000 2.823 355 V HA 0.858 4.978 4.120 0.000 0.000 0.312 355 V C -0.428 175.683 176.094 0.028 0.000 1.072 355 V CA -1.161 61.155 62.300 0.026 0.000 0.937 355 V CB 1.947 33.786 31.823 0.027 0.000 1.013 355 V HN 0.802 nan 8.190 nan 0.000 0.430 356 A N 3.961 126.803 122.820 0.037 0.000 2.258 356 A HA 0.795 5.115 4.320 0.000 0.000 0.316 356 A C 0.099 177.719 177.584 0.060 0.000 1.279 356 A CA -0.250 51.809 52.037 0.037 0.000 0.876 356 A CB 0.831 19.851 19.000 0.035 0.000 1.170 356 A HN 2.107 nan 8.150 nan 0.000 0.520 357 V N 0.638 120.582 119.914 0.051 0.000 3.319 357 V HA 0.525 4.645 4.120 0.000 0.000 0.303 357 V C 0.741 176.901 176.094 0.110 0.000 1.094 357 V CA 0.277 62.627 62.300 0.083 0.000 1.106 357 V CB 0.573 32.428 31.823 0.054 0.000 1.099 357 V HN 0.881 nan 8.190 nan 0.000 0.476 358 F N 0.734 120.696 119.950 0.020 0.000 2.532 358 F HA 0.386 4.914 4.527 0.001 0.000 0.276 358 F C 0.827 176.643 175.800 0.026 0.000 0.911 358 F CA 0.887 58.903 58.000 0.025 0.000 1.196 358 F CB 0.444 39.466 39.000 0.036 0.000 1.087 358 F HN 0.805 nan 8.300 nan 0.000 0.775 359 Q N 0.260 120.300 119.800 0.400 0.000 2.685 359 Q HA 0.706 5.046 4.340 0.000 0.000 0.301 359 Q C -1.789 174.318 176.000 0.179 0.000 0.924 359 Q CA -1.223 54.728 55.803 0.247 0.000 0.755 359 Q CB 2.006 30.934 28.738 0.317 0.000 1.470 359 Q HN 0.196 nan 8.270 nan 0.000 0.434 360 A N 0.486 123.374 122.820 0.113 0.000 2.413 360 A HA 0.929 5.249 4.320 0.000 0.000 0.307 360 A C -0.924 176.715 177.584 0.091 0.000 1.087 360 A CA -0.019 52.071 52.037 0.087 0.000 0.750 360 A CB 2.166 21.192 19.000 0.044 0.000 1.296 360 A HN 0.889 nan 8.150 nan 0.000 0.423 361 S N 0.139 115.901 115.700 0.104 0.000 2.587 361 S HA 0.417 4.887 4.470 0.000 0.000 0.269 361 S C 0.592 175.245 174.600 0.088 0.000 1.154 361 S CA 0.400 58.670 58.200 0.117 0.000 0.824 361 S CB 0.639 64.006 63.200 0.278 0.000 1.118 361 S HN 0.939 nan 8.310 nan 0.000 0.462 362 Q N 0.570 120.415 119.800 0.076 0.000 2.660 362 Q HA -0.334 4.006 4.340 0.000 0.000 0.353 362 Q C 1.267 177.282 176.000 0.026 0.000 1.630 362 Q CA 2.735 58.564 55.803 0.044 0.000 0.956 362 Q CB -1.461 27.305 28.738 0.047 0.000 1.082 362 Q HN 1.087 nan 8.270 nan 0.000 0.849 363 G N -1.073 107.743 108.800 0.026 0.000 3.342 363 G HA2 0.423 4.384 3.960 0.000 0.000 0.252 363 G HA3 0.423 4.384 3.960 0.000 0.000 0.252 363 G C -0.189 174.721 174.900 0.017 0.000 1.011 363 G CA 0.555 45.664 45.100 0.016 0.000 0.869 363 G HN 0.391 nan 8.290 nan 0.000 0.514 364 V N -2.191 117.740 119.914 0.029 0.000 3.160 364 V HA 0.934 5.055 4.120 0.000 0.000 0.310 364 V C -0.551 175.569 176.094 0.044 0.000 1.181 364 V CA -0.317 61.999 62.300 0.027 0.000 1.047 364 V CB 1.448 33.281 31.823 0.016 0.000 1.068 364 V HN 0.268 nan 8.190 nan 0.000 0.441 365 T N -0.020 114.558 114.554 0.039 0.000 2.885 365 T HA 0.879 5.229 4.350 0.000 0.000 0.285 365 T C -0.294 174.441 174.700 0.057 0.000 1.019 365 T CA -0.040 62.094 62.100 0.057 0.000 1.010 365 T CB 1.468 70.364 68.868 0.048 0.000 1.022 365 T HN 2.125 nan 8.240 nan 0.000 0.466 366 A N 3.650 126.523 122.820 0.088 0.000 2.303 366 A HA 0.704 5.025 4.320 0.000 0.000 0.320 366 A C -0.903 176.757 177.584 0.126 0.000 1.192 366 A CA -0.836 51.244 52.037 0.072 0.000 0.821 366 A CB 0.433 19.452 19.000 0.032 0.000 1.188 366 A HN 0.706 nan 8.150 nan 0.000 0.492 367 L N 2.714 123.990 121.223 0.088 0.000 2.275 367 L HA 0.476 4.816 4.340 0.000 0.000 0.288 367 L C 1.595 178.539 176.870 0.123 0.000 1.046 367 L CA -0.279 54.623 54.840 0.102 0.000 0.805 367 L CB 0.679 42.774 42.059 0.060 0.000 1.193 367 L HN 0.834 nan 8.230 nan 0.000 0.426 368 R N 1.252 121.866 120.500 0.190 0.000 2.073 368 R HA 0.134 4.474 4.340 0.000 0.000 0.229 368 R C -0.186 176.180 176.300 0.110 0.000 1.120 368 R CA 0.690 56.916 56.100 0.210 0.000 0.967 368 R CB 0.217 30.678 30.300 0.268 0.000 0.862 368 R HN 0.739 nan 8.270 nan 0.000 0.436 369 S N -3.319 112.430 115.700 0.082 0.000 2.537 369 S HA 0.613 5.084 4.470 0.000 0.000 0.270 369 S C 0.036 174.662 174.600 0.043 0.000 1.142 369 S CA -0.350 57.883 58.200 0.055 0.000 0.870 369 S CB 2.089 65.318 63.200 0.049 0.000 1.112 369 S HN 0.357 nan 8.310 nan 0.000 0.466 370 G N 0.702 109.522 108.800 0.033 0.000 3.611 370 G HA2 0.039 3.999 3.960 0.000 0.000 0.217 370 G HA3 0.039 3.999 3.960 0.000 0.000 0.217 370 G C -0.724 174.190 174.900 0.023 0.000 1.023 370 G CA -0.383 44.734 45.100 0.028 0.000 0.887 370 G HN 0.527 nan 8.290 nan 0.000 0.420 371 L N 0.828 122.064 121.223 0.022 0.000 2.309 371 L HA 0.878 5.218 4.340 0.000 0.000 0.261 371 L C -0.229 176.649 176.870 0.013 0.000 1.021 371 L CA -0.814 54.036 54.840 0.017 0.000 0.823 371 L CB 2.070 44.138 42.059 0.015 0.000 1.366 371 L HN 0.374 nan 8.230 nan 0.000 0.423 372 A N 0.446 123.272 122.820 0.011 0.000 2.365 372 A HA 0.447 4.767 4.320 0.000 0.000 0.318 372 A C -0.450 177.136 177.584 0.004 0.000 1.091 372 A CA -0.539 51.503 52.037 0.008 0.000 0.763 372 A CB 1.339 20.344 19.000 0.008 0.000 1.248 372 A HN 0.789 nan 8.150 nan 0.000 0.442 373 E N 0.436 120.637 120.200 0.001 0.000 2.829 373 E HA 0.163 4.513 4.350 0.000 0.000 0.264 373 E C 1.369 177.969 176.600 -0.000 0.000 0.922 373 E CA 1.781 58.180 56.400 -0.001 0.000 0.960 373 E CB 0.081 29.779 29.700 -0.004 0.000 0.918 373 E HN 1.724 nan 8.360 nan 0.000 0.497 374 G N 3.334 112.133 108.800 -0.002 0.000 2.179 374 G HA2 -0.361 3.599 3.960 0.000 0.000 0.260 374 G HA3 -0.361 3.599 3.960 0.000 0.000 0.260 374 G C 0.183 175.083 174.900 0.000 0.000 0.977 374 G CA 0.422 45.522 45.100 -0.001 0.000 0.641 374 G HN 0.627 nan 8.290 nan 0.000 0.533 375 E N 0.516 120.717 120.200 0.001 0.000 2.415 375 E HA 0.379 4.729 4.350 0.000 0.000 0.262 375 E C 0.448 177.048 176.600 -0.000 0.000 1.038 375 E CA -0.130 56.272 56.400 0.003 0.000 0.921 375 E CB 0.368 30.071 29.700 0.006 0.000 0.950 375 E HN 0.015 nan 8.360 nan 0.000 0.438 376 K N 1.962 122.362 120.400 -0.000 0.000 2.143 376 K HA 0.424 4.744 4.320 0.000 0.000 0.272 376 K C -0.959 175.630 176.600 -0.018 0.000 1.001 376 K CA -0.524 55.758 56.287 -0.008 0.000 0.915 376 K CB 1.735 34.232 32.500 -0.006 0.000 1.047 376 K HN 0.302 nan 8.250 nan 0.000 0.458 377 V N 1.956 121.854 119.914 -0.027 0.000 3.130 377 V HA 0.467 4.587 4.120 0.000 0.000 0.310 377 V C -1.362 174.702 176.094 -0.050 0.000 1.158 377 V CA -0.976 61.302 62.300 -0.038 0.000 1.029 377 V CB 2.526 34.336 31.823 -0.022 0.000 1.057 377 V HN 0.446 nan 8.190 nan 0.000 0.436 378 V N 4.470 124.346 119.914 -0.063 0.000 2.398 378 V HA 0.840 4.960 4.120 0.000 0.000 0.286 378 V C -0.136 175.941 176.094 -0.028 0.000 1.026 378 V CA 0.434 62.700 62.300 -0.057 0.000 0.868 378 V CB 1.819 33.591 31.823 -0.085 0.000 0.982 378 V HN 1.219 nan 8.190 nan 0.000 0.443 379 S N 4.482 120.172 115.700 -0.018 0.000 2.454 379 S HA 0.565 5.035 4.470 0.000 0.000 0.306 379 S C 0.372 174.969 174.600 -0.005 0.000 1.100 379 S CA 0.255 58.448 58.200 -0.012 0.000 1.087 379 S CB 1.319 64.513 63.200 -0.009 0.000 1.019 379 S HN 2.353 nan 8.310 nan 0.000 0.480 380 S N 1.802 117.498 115.700 -0.006 0.000 3.315 380 S HA -0.116 4.354 4.470 0.000 0.000 0.283 380 S C 0.435 175.047 174.600 0.020 0.000 1.279 380 S CA 0.728 58.929 58.200 0.002 0.000 0.984 380 S CB -1.841 61.362 63.200 0.005 0.000 1.184 380 S HN 1.891 nan 8.310 nan 0.000 0.653 381 G N 1.433 110.253 108.800 0.033 0.000 2.322 381 G HA2 0.590 4.550 3.960 0.000 0.000 0.309 381 G HA3 0.590 4.550 3.960 0.000 0.000 0.309 381 G C -0.341 174.603 174.900 0.074 0.000 1.121 381 G CA -0.610 44.556 45.100 0.109 0.000 0.886 381 G HN 0.985 nan 8.290 nan 0.000 0.447 382 L N 1.496 122.791 121.223 0.121 0.000 2.319 382 L HA 0.912 5.252 4.340 0.000 0.000 0.281 382 L C -0.859 176.117 176.870 0.176 0.000 1.005 382 L CA -1.068 53.788 54.840 0.027 0.000 0.828 382 L CB 0.863 42.936 42.059 0.023 0.000 1.227 382 L HN 0.528 nan 8.230 nan 0.000 0.415 383 F N 2.353 122.332 119.950 0.048 0.000 2.713 383 F HA 0.757 5.285 4.527 0.000 0.000 0.311 383 F C -1.141 174.695 175.800 0.060 0.000 1.141 383 F CA -1.265 56.778 58.000 0.071 0.000 0.939 383 F CB 1.344 40.424 39.000 0.134 0.000 1.325 383 F HN 0.560 nan 8.300 nan 0.000 0.453 384 L N 2.149 123.527 121.223 0.257 0.000 2.578 384 L HA 0.675 5.015 4.340 0.000 0.000 0.259 384 L C 0.318 177.310 176.870 0.203 0.000 1.082 384 L CA -1.056 53.863 54.840 0.131 0.000 0.843 384 L CB 1.289 43.398 42.059 0.084 0.000 1.535 384 L HN 0.828 nan 8.230 nan 0.000 0.510 385 I N 0.000 120.637 120.570 0.111 0.000 2.984 385 I HA 0.000 4.170 4.170 0.000 0.000 0.288 385 I CA 0.000 61.365 61.300 0.108 0.000 1.566 385 I CB 0.000 38.037 38.000 0.062 0.000 1.214 385 I HN 0.000 nan 8.210 nan 0.000 0.494