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 3gu9_1_A DATA FIRST_RESID 93 DATA SEQUENCE GLVPRGSHMT AQTVTGAVAA AQLGATLPHE HVIFGYPGYA GDVTLGPFDH DATA SEQUENCE AAALASCTET ARALLARGIQ TVVDATPNDC GRNPAFLREV SEATGLQILC DATA SEQUENCE ATGFYYEGEG ATTYFKFRAS LGDAESEIYE MMRTEVTEGI AGTGIRAGVI DATA SEQUENCE XLASSRDAIT PYEQLFFRAA ARVQRETGVP IITHTQEGQQ GPQQAELLTS DATA SEQUENCE LGADPARIMI GHMDGNTDPA YHRETLRHGV SIAFDAIGLQ GMVGTPTDAE DATA SEQUENCE RLSVLTTLLG EGYADRLLLS HDSIWHWLGR PPAIPEAALP AVKDWHPLHI DATA SEQUENCE SDDILPDLRR RGITEEQVGQ MTVGNPARLF G 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 93 G HA2 0.000 nan 3.960 nan 0.000 0.244 93 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 93 G C 0.000 174.902 174.900 0.004 0.000 0.946 93 G CA 0.000 45.101 45.100 0.002 0.000 0.502 94 L N 2.924 124.151 121.223 0.008 0.000 2.259 94 L HA 0.704 5.044 4.340 -0.000 0.000 0.288 94 L C 0.363 177.235 176.870 0.004 0.000 1.051 94 L CA -0.877 53.968 54.840 0.008 0.000 0.824 94 L CB 1.043 43.111 42.059 0.014 0.000 1.206 94 L HN 0.637 nan 8.230 nan 0.000 0.429 95 V N 3.559 123.473 119.914 -0.001 0.000 2.837 95 V HA 0.726 4.846 4.120 -0.000 0.000 0.310 95 V C -2.233 173.860 176.094 -0.003 0.000 1.059 95 V CA -2.115 60.181 62.300 -0.005 0.000 1.004 95 V CB 0.532 32.347 31.823 -0.013 0.000 1.045 95 V HN 0.689 nan 8.190 nan 0.000 0.465 96 P HA 0.277 nan 4.420 nan 0.000 0.265 96 P C -0.959 176.347 177.300 0.010 0.000 1.187 96 P CA 0.215 63.324 63.100 0.014 0.000 0.766 96 P CB 0.182 31.907 31.700 0.043 0.000 0.820 97 R N 1.825 122.337 120.500 0.019 0.000 2.502 97 R HA 0.793 5.133 4.340 -0.000 0.000 0.300 97 R C -0.034 176.283 176.300 0.028 0.000 0.984 97 R CA -0.464 55.646 56.100 0.016 0.000 0.882 97 R CB 1.293 31.599 30.300 0.011 0.000 1.180 97 R HN 0.690 nan 8.270 nan 0.000 0.444 98 G N 1.320 110.139 108.800 0.031 0.000 2.297 98 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.209 98 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.209 98 G C -1.134 173.803 174.900 0.063 0.000 1.267 98 G CA -0.576 44.548 45.100 0.039 0.000 1.127 98 G HN 0.687 nan 8.290 nan 0.000 0.498 99 S N 1.044 116.782 115.700 0.064 0.000 2.563 99 S HA 0.500 4.970 4.470 -0.000 0.000 0.284 99 S C 0.035 174.718 174.600 0.138 0.000 1.331 99 S CA 0.532 58.779 58.200 0.079 0.000 1.047 99 S CB 0.735 63.967 63.200 0.054 0.000 0.859 99 S HN 1.060 nan 8.310 nan 0.000 0.514 100 H N 1.271 120.348 119.070 0.012 0.000 3.086 100 H HA 0.455 5.011 4.556 -0.000 0.000 0.353 100 H C -1.660 173.677 175.328 0.014 0.000 1.134 100 H CA -0.791 55.264 56.048 0.012 0.000 1.248 100 H CB 0.888 30.656 29.762 0.010 0.000 1.878 100 H HN 0.615 nan 8.280 nan 0.000 0.527 101 M N 2.148 121.475 119.600 -0.454 0.000 2.724 101 M HA 0.320 4.800 4.480 -0.000 0.000 0.310 101 M C 0.200 176.252 176.300 -0.413 0.000 1.217 101 M CA -1.100 54.053 55.300 -0.245 0.000 0.894 101 M CB 2.067 34.585 32.600 -0.137 0.000 1.719 101 M HN 0.476 nan 8.290 nan 0.000 0.479 102 T N 1.693 116.186 114.554 -0.102 0.000 2.930 102 T HA 0.331 4.681 4.350 -0.000 0.000 0.306 102 T C 0.345 175.012 174.700 -0.055 0.000 1.045 102 T CA -0.514 61.577 62.100 -0.015 0.000 1.134 102 T CB 0.530 69.419 68.868 0.036 0.000 0.961 102 T HN 0.716 nan 8.240 nan 0.000 0.545 103 A N 2.666 125.481 122.820 -0.009 0.000 2.567 103 A HA 0.195 4.515 4.320 -0.000 0.000 0.240 103 A C 0.433 178.017 177.584 -0.001 0.000 1.053 103 A CA -0.014 52.029 52.037 0.010 0.000 0.755 103 A CB -0.102 18.934 19.000 0.060 0.000 0.978 103 A HN 0.685 nan 8.150 nan 0.000 0.507 104 Q N 1.290 121.084 119.800 -0.010 0.000 2.333 104 Q HA 0.524 4.864 4.340 -0.000 0.000 0.265 104 Q C 0.197 176.183 176.000 -0.023 0.000 0.989 104 Q CA 0.122 55.916 55.803 -0.016 0.000 0.842 104 Q CB 1.334 30.059 28.738 -0.022 0.000 1.262 104 Q HN 0.912 nan 8.270 nan 0.000 0.451 105 T N -1.429 113.109 114.554 -0.026 0.000 2.922 105 T HA 0.393 4.743 4.350 -0.000 0.000 0.281 105 T C 1.109 175.786 174.700 -0.038 0.000 1.005 105 T CA -0.162 61.914 62.100 -0.040 0.000 0.982 105 T CB 0.569 69.414 68.868 -0.038 0.000 1.158 105 T HN 0.459 nan 8.240 nan 0.000 0.566 106 V N -1.302 118.583 119.914 -0.047 0.000 2.913 106 V HA 0.054 4.174 4.120 -0.000 0.000 0.260 106 V C 1.820 177.893 176.094 -0.034 0.000 1.098 106 V CA 1.653 63.927 62.300 -0.043 0.000 1.121 106 V CB -1.935 29.855 31.823 -0.054 0.000 0.714 106 V HN 1.100 nan 8.190 nan 0.000 0.487 107 T N -2.436 112.099 114.554 -0.032 0.000 3.176 107 T HA 0.638 4.988 4.350 -0.000 0.000 0.263 107 T C 0.760 175.450 174.700 -0.018 0.000 1.021 107 T CA 0.378 62.463 62.100 -0.025 0.000 0.905 107 T CB -0.103 68.750 68.868 -0.025 0.000 1.057 107 T HN 1.697 nan 8.240 nan 0.000 0.558 108 G N 0.922 109.712 108.800 -0.018 0.000 2.422 108 G HA2 0.378 4.338 3.960 -0.000 0.000 0.607 108 G HA3 0.378 4.338 3.960 -0.000 0.000 0.607 108 G C -0.293 174.602 174.900 -0.009 0.000 1.270 108 G CA -0.542 44.551 45.100 -0.012 0.000 0.992 108 G HN 0.972 nan 8.290 nan 0.000 0.499 109 A N -1.089 121.729 122.820 -0.003 0.000 2.498 109 A HA 0.620 4.940 4.320 -0.000 0.000 0.239 109 A C 0.379 177.968 177.584 0.009 0.000 1.068 109 A CA 0.745 52.784 52.037 0.003 0.000 0.766 109 A CB 0.572 19.576 19.000 0.008 0.000 1.003 109 A HN 1.950 nan 8.150 nan 0.000 0.497 110 V N 1.600 121.523 119.914 0.016 0.000 2.760 110 V HA 0.592 4.712 4.120 -0.000 0.000 0.309 110 V C 0.560 176.678 176.094 0.040 0.000 1.077 110 V CA -0.383 61.930 62.300 0.022 0.000 0.910 110 V CB 1.614 33.447 31.823 0.016 0.000 1.008 110 V HN 1.321 nan 8.190 nan 0.000 0.424 111 A N 2.910 125.754 122.820 0.041 0.000 2.445 111 A HA 0.642 4.962 4.320 -0.000 0.000 0.242 111 A C 1.551 179.172 177.584 0.062 0.000 1.075 111 A CA 0.478 52.547 52.037 0.053 0.000 0.777 111 A CB 0.561 19.585 19.000 0.040 0.000 1.013 111 A HN 1.554 nan 8.150 nan 0.000 0.493 112 A N 2.208 125.076 122.820 0.079 0.000 1.917 112 A HA 0.040 4.360 4.320 -0.000 0.000 0.219 112 A C 2.302 179.924 177.584 0.064 0.000 1.182 112 A CA 2.475 54.564 52.037 0.086 0.000 0.633 112 A CB -1.005 18.049 19.000 0.092 0.000 0.819 112 A HN 1.799 nan 8.150 nan 0.000 0.448 113 A N -1.564 121.285 122.820 0.048 0.000 2.125 113 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 113 A C 1.885 179.489 177.584 0.034 0.000 1.156 113 A CA 1.462 53.522 52.037 0.038 0.000 0.671 113 A CB -0.268 18.749 19.000 0.028 0.000 0.794 113 A HN 0.481 nan 8.150 nan 0.000 0.459 114 Q N -0.528 119.293 119.800 0.035 0.000 2.403 114 Q HA 0.197 4.537 4.340 -0.000 0.000 0.203 114 Q C 1.746 177.763 176.000 0.028 0.000 0.932 114 Q CA 0.264 56.084 55.803 0.027 0.000 0.945 114 Q CB -0.183 28.569 28.738 0.023 0.000 1.045 114 Q HN 0.728 nan 8.270 nan 0.000 0.511 115 L N -0.537 120.709 121.223 0.039 0.000 2.056 115 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 115 L C 1.320 178.209 176.870 0.032 0.000 1.078 115 L CA 0.979 55.842 54.840 0.037 0.000 0.749 115 L CB -0.832 41.266 42.059 0.065 0.000 0.901 115 L HN 0.343 nan 8.230 nan 0.000 0.433 116 G N -0.421 108.401 108.800 0.037 0.000 2.645 116 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.246 116 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.246 116 G C 0.001 174.923 174.900 0.038 0.000 1.322 116 G CA -0.401 44.718 45.100 0.033 0.000 0.898 116 G HN 0.609 nan 8.290 nan 0.000 0.573 117 A N -0.359 122.481 122.820 0.033 0.000 2.520 117 A HA 0.610 4.930 4.320 -0.000 0.000 0.245 117 A C 0.727 178.334 177.584 0.037 0.000 1.072 117 A CA 1.605 53.664 52.037 0.038 0.000 0.761 117 A CB 0.036 19.056 19.000 0.033 0.000 1.004 117 A HN 1.598 nan 8.150 nan 0.000 0.499 118 T N 2.846 117.427 114.554 0.044 0.000 2.876 118 T HA 0.533 4.883 4.350 -0.000 0.000 0.289 118 T C -0.490 174.233 174.700 0.040 0.000 1.014 118 T CA -0.330 61.786 62.100 0.026 0.000 0.986 118 T CB 1.074 69.949 68.868 0.011 0.000 1.021 118 T HN 0.462 nan 8.240 nan 0.000 0.458 119 L N 4.826 126.072 121.223 0.038 0.000 2.276 119 L HA 0.332 4.672 4.340 -0.000 0.000 0.286 119 L C -1.302 175.579 176.870 0.018 0.000 1.024 119 L CA -2.177 52.705 54.840 0.069 0.000 0.826 119 L CB 1.904 44.053 42.059 0.151 0.000 1.211 119 L HN 0.446 nan 8.230 nan 0.000 0.422 120 P HA -0.127 nan 4.420 nan 0.000 0.230 120 P C -0.015 177.335 177.300 0.085 0.000 1.158 120 P CA 1.057 64.179 63.100 0.037 0.000 0.769 120 P CB 0.115 31.979 31.700 0.273 0.000 0.807 121 H N -0.669 118.406 119.070 0.008 0.000 3.198 121 H HA 0.300 4.856 4.556 -0.000 0.000 0.317 121 H C -0.698 174.592 175.328 -0.063 0.000 1.178 121 H CA -0.420 55.618 56.048 -0.017 0.000 1.609 121 H CB 0.771 30.594 29.762 0.102 0.000 1.819 121 H HN -0.216 nan 8.280 nan 0.000 0.533 122 E N 2.588 122.697 120.200 -0.152 0.000 2.449 122 E HA 0.306 4.656 4.350 -0.000 0.000 0.278 122 E C -1.026 175.158 176.600 -0.692 0.000 0.992 122 E CA -0.937 55.350 56.400 -0.189 0.000 0.807 122 E CB 2.042 31.746 29.700 0.007 0.000 1.350 122 E HN 0.576 nan 8.360 nan 0.000 0.462 123 H N 0.507 119.393 119.070 -0.307 0.000 3.013 123 H HA 0.226 4.782 4.556 -0.000 0.000 0.326 123 H C 0.891 175.753 175.328 -0.776 0.000 0.973 123 H CA -0.278 55.520 56.048 -0.417 0.000 1.369 123 H CB 1.528 31.113 29.762 -0.295 0.000 1.598 123 H HN 0.120 nan 8.280 nan 0.000 0.518 124 V N 3.866 123.309 119.914 -0.785 0.000 2.307 124 V HA -0.128 3.992 4.120 -0.000 0.000 0.245 124 V C 1.264 177.183 176.094 -0.293 0.000 1.045 124 V CA 1.674 63.417 62.300 -0.928 0.000 1.024 124 V CB -0.120 31.332 31.823 -0.619 0.000 0.651 124 V HN 0.640 nan 8.190 nan 0.000 0.449 125 I N -3.989 116.472 120.570 -0.181 0.000 2.828 125 I HA 0.735 4.905 4.170 -0.000 0.000 0.302 125 I C -1.267 174.745 176.117 -0.175 0.000 1.101 125 I CA -0.885 60.329 61.300 -0.144 0.000 1.031 125 I CB 2.536 40.418 38.000 -0.197 0.000 1.231 125 I HN 0.027 nan 8.210 nan 0.000 0.427 126 F N 2.399 122.061 119.950 -0.480 0.000 2.650 126 F HA 0.809 5.336 4.527 -0.000 0.000 0.310 126 F C -0.816 174.623 175.800 -0.601 0.000 1.112 126 F CA -0.211 57.424 58.000 -0.608 0.000 0.986 126 F CB 2.372 40.863 39.000 -0.848 0.000 1.285 126 F HN 0.792 nan 8.300 nan 0.000 0.440 127 G N 3.731 111.819 108.800 -1.187 0.000 2.732 127 G HA2 0.388 4.348 3.960 -0.000 0.000 0.295 127 G HA3 0.388 4.348 3.960 -0.000 0.000 0.295 127 G C -2.133 172.413 174.900 -0.589 0.000 1.456 127 G CA -0.553 44.022 45.100 -0.876 0.000 1.050 127 G HN 0.659 nan 8.290 nan 0.000 0.525 128 Y N 1.792 122.109 120.300 0.028 0.000 2.497 128 Y HA 0.186 4.736 4.550 -0.000 0.000 0.334 128 Y C -1.495 174.528 175.900 0.206 0.000 1.199 128 Y CA -1.457 56.730 58.100 0.146 0.000 1.425 128 Y CB 1.040 39.684 38.460 0.308 0.000 1.291 128 Y HN 0.306 nan 8.280 nan 0.000 0.562 129 P HA -0.069 nan 4.420 nan 0.000 0.258 129 P C 0.566 177.921 177.300 0.093 0.000 1.172 129 P CA 1.881 65.060 63.100 0.132 0.000 0.762 129 P CB 0.218 31.978 31.700 0.100 0.000 0.764 130 G N 3.235 112.012 108.800 -0.037 0.000 2.352 130 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.204 130 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.204 130 G C 0.915 175.770 174.900 -0.077 0.000 1.004 130 G CA 0.187 45.255 45.100 -0.053 0.000 0.648 130 G HN 0.547 nan 8.290 nan 0.000 0.491 131 Y N 0.923 121.244 120.300 0.036 0.000 2.241 131 Y HA 0.216 4.766 4.550 -0.000 0.000 0.286 131 Y C 2.630 178.533 175.900 0.006 0.000 1.166 131 Y CA 1.752 59.874 58.100 0.037 0.000 1.203 131 Y CB -0.816 37.670 38.460 0.043 0.000 0.977 131 Y HN 0.573 nan 8.280 nan 0.000 0.529 132 A N 1.213 123.441 122.820 -0.987 0.000 2.014 132 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 132 A C 2.373 179.819 177.584 -0.230 0.000 1.163 132 A CA 1.106 52.775 52.037 -0.613 0.000 0.652 132 A CB -1.439 17.135 19.000 -0.710 0.000 0.808 132 A HN 0.638 nan 8.150 nan 0.000 0.449 133 G N -0.929 107.757 108.800 -0.192 0.000 2.598 133 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.215 133 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.215 133 G C 0.730 175.607 174.900 -0.038 0.000 1.131 133 G CA 0.988 46.031 45.100 -0.095 0.000 0.785 133 G HN 0.459 nan 8.290 nan 0.000 0.539 134 D N -0.135 120.260 120.400 -0.008 0.000 2.722 134 D HA 0.139 4.778 4.640 -0.000 0.000 0.239 134 D C 1.825 178.159 176.300 0.056 0.000 1.249 134 D CA -0.337 53.684 54.000 0.035 0.000 0.830 134 D CB 0.396 41.236 40.800 0.067 0.000 1.025 134 D HN -0.028 nan 8.370 nan 0.000 0.486 135 V N -0.350 119.586 119.914 0.036 0.000 2.667 135 V HA -0.155 3.965 4.120 -0.000 0.000 0.252 135 V C 1.893 178.020 176.094 0.054 0.000 1.065 135 V CA 2.089 64.424 62.300 0.058 0.000 1.083 135 V CB -0.256 31.587 31.823 0.033 0.000 0.692 135 V HN 0.291 nan 8.190 nan 0.000 0.468 136 T N 0.911 115.486 114.554 0.035 0.000 2.708 136 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 136 T C 1.628 176.350 174.700 0.037 0.000 1.037 136 T CA 2.156 64.274 62.100 0.031 0.000 1.146 136 T CB -0.226 68.653 68.868 0.019 0.000 0.865 136 T HN 0.465 nan 8.240 nan 0.000 0.435 137 L N -0.251 120.995 121.223 0.038 0.000 2.554 137 L HA 0.325 4.665 4.340 -0.000 0.000 0.225 137 L C 1.750 178.651 176.870 0.052 0.000 1.104 137 L CA 0.145 55.008 54.840 0.038 0.000 0.866 137 L CB 0.188 42.264 42.059 0.028 0.000 1.047 137 L HN 0.235 nan 8.230 nan 0.000 0.468 138 G N 1.185 110.029 108.800 0.073 0.000 4.757 138 G HA2 0.280 4.240 3.960 -0.000 0.000 0.303 138 G HA3 0.280 4.240 3.960 -0.000 0.000 0.303 138 G C -2.516 172.466 174.900 0.137 0.000 1.318 138 G CA -0.633 44.527 45.100 0.100 0.000 1.020 138 G HN -0.053 nan 8.290 nan 0.000 0.589 139 P HA 0.128 nan 4.420 nan 0.000 0.272 139 P C -0.694 176.741 177.300 0.225 0.000 1.230 139 P CA -0.373 62.820 63.100 0.154 0.000 0.788 139 P CB 1.335 33.099 31.700 0.107 0.000 0.949 140 F N 1.588 121.575 119.950 0.063 0.000 2.445 140 F HA 0.134 4.661 4.527 -0.000 0.000 0.359 140 F C 0.646 176.476 175.800 0.051 0.000 1.101 140 F CA -0.444 57.584 58.000 0.046 0.000 1.177 140 F CB 0.423 39.423 39.000 -0.001 0.000 1.110 140 F HN 0.163 nan 8.300 nan 0.000 0.522 141 D N 5.975 126.165 120.400 -0.350 0.000 2.456 141 D HA 0.013 4.653 4.640 -0.000 0.000 0.219 141 D C 1.097 176.956 176.300 -0.735 0.000 1.126 141 D CA 0.167 53.971 54.000 -0.326 0.000 0.890 141 D CB 0.207 40.914 40.800 -0.155 0.000 1.025 141 D HN 0.711 nan 8.370 nan 0.000 0.511 142 H N 4.159 122.866 119.070 -0.606 0.000 2.290 142 H HA -0.174 4.382 4.556 -0.000 0.000 0.298 142 H C 1.363 176.541 175.328 -0.249 0.000 1.087 142 H CA 2.030 57.776 56.048 -0.503 0.000 1.291 142 H CB 0.194 29.935 29.762 -0.035 0.000 1.369 142 H HN 0.498 nan 8.280 nan 0.000 0.492 143 A N 1.174 124.004 122.820 0.015 0.000 1.908 143 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 143 A C 2.737 180.249 177.584 -0.119 0.000 1.181 143 A CA 2.173 54.217 52.037 0.012 0.000 0.627 143 A CB -1.099 17.933 19.000 0.052 0.000 0.818 143 A HN 0.607 nan 8.150 nan 0.000 0.445 144 A N -0.476 122.241 122.820 -0.172 0.000 1.929 144 A HA 0.262 4.582 4.320 -0.000 0.000 0.216 144 A C 2.458 179.899 177.584 -0.238 0.000 1.176 144 A CA 1.800 53.753 52.037 -0.140 0.000 0.628 144 A CB -0.842 18.113 19.000 -0.076 0.000 0.816 144 A HN 1.003 nan 8.150 nan 0.000 0.444 145 A N -0.523 121.959 122.820 -0.563 0.000 1.929 145 A HA 0.041 4.361 4.320 -0.000 0.000 0.216 145 A C 2.075 179.582 177.584 -0.127 0.000 1.176 145 A CA 1.570 53.127 52.037 -0.801 0.000 0.628 145 A CB -0.541 17.610 19.000 -1.415 0.000 0.816 145 A HN 0.612 nan 8.150 nan 0.000 0.444 146 L N -0.192 120.983 121.223 -0.080 0.000 2.083 146 L HA -0.044 4.296 4.340 -0.000 0.000 0.209 146 L C 2.590 179.445 176.870 -0.025 0.000 1.083 146 L CA 2.141 56.976 54.840 -0.008 0.000 0.752 146 L CB -0.759 41.216 42.059 -0.140 0.000 0.899 146 L HN 0.330 nan 8.230 nan 0.000 0.433 147 A N -1.834 120.962 122.820 -0.040 0.000 1.897 147 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 147 A C 2.510 180.093 177.584 -0.001 0.000 1.181 147 A CA 1.660 53.685 52.037 -0.021 0.000 0.620 147 A CB -0.990 17.997 19.000 -0.022 0.000 0.821 147 A HN 0.502 nan 8.150 nan 0.000 0.443 148 S N -1.280 114.429 115.700 0.016 0.000 2.383 148 S HA -0.151 4.319 4.470 -0.000 0.000 0.227 148 S C 1.897 176.547 174.600 0.084 0.000 1.026 148 S CA 1.517 59.749 58.200 0.054 0.000 0.981 148 S CB -0.658 62.617 63.200 0.126 0.000 0.818 148 S HN 0.643 nan 8.310 nan 0.000 0.472 149 C N 1.580 120.974 119.300 0.157 0.000 2.475 149 C HA 0.058 4.518 4.460 -0.000 0.000 0.279 149 C C 3.041 178.125 174.990 0.157 0.000 1.322 149 C CA 1.135 60.332 59.018 0.298 0.000 1.734 149 C CB -1.457 26.546 27.740 0.438 0.000 2.005 149 C HN 0.868 nan 8.230 nan 0.000 0.495 150 T N -0.095 114.491 114.554 0.054 0.000 2.821 150 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 150 T C 1.572 176.255 174.700 -0.028 0.000 1.046 150 T CA 1.775 63.877 62.100 0.004 0.000 1.139 150 T CB -0.425 68.428 68.868 -0.026 0.000 0.871 150 T HN 0.719 nan 8.240 nan 0.000 0.454 151 E N 1.015 121.191 120.200 -0.040 0.000 2.077 151 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 151 E C 2.130 178.643 176.600 -0.145 0.000 0.989 151 E CA 1.527 57.882 56.400 -0.075 0.000 0.800 151 E CB -0.402 29.260 29.700 -0.064 0.000 0.746 151 E HN 0.495 nan 8.360 nan 0.000 0.452 152 T N 0.340 114.758 114.554 -0.226 0.000 2.821 152 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 152 T C 1.798 176.226 174.700 -0.454 0.000 1.046 152 T CA 1.106 62.918 62.100 -0.481 0.000 1.139 152 T CB -0.285 68.034 68.868 -0.914 0.000 0.871 152 T HN 0.365 nan 8.240 nan 0.000 0.454 153 A N 1.878 124.544 122.820 -0.258 0.000 1.908 153 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 153 A C 2.369 179.906 177.584 -0.079 0.000 1.181 153 A CA 1.453 53.441 52.037 -0.081 0.000 0.627 153 A CB -0.476 18.565 19.000 0.069 0.000 0.818 153 A HN 0.406 nan 8.150 nan 0.000 0.445 154 R N -0.691 119.761 120.500 -0.080 0.000 2.092 154 R HA -0.053 4.287 4.340 -0.000 0.000 0.231 154 R C 2.474 178.730 176.300 -0.072 0.000 1.119 154 R CA 1.132 57.195 56.100 -0.061 0.000 0.970 154 R CB -0.444 29.825 30.300 -0.052 0.000 0.864 154 R HN 0.519 nan 8.270 nan 0.000 0.440 155 A N 1.226 123.981 122.820 -0.108 0.000 1.933 155 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 155 A C 2.159 179.692 177.584 -0.085 0.000 1.175 155 A CA 1.072 53.048 52.037 -0.101 0.000 0.628 155 A CB -0.455 18.463 19.000 -0.136 0.000 0.814 155 A HN 0.166 nan 8.150 nan 0.000 0.444 156 L N -0.759 120.400 121.223 -0.108 0.000 2.046 156 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 156 L C 2.543 179.401 176.870 -0.021 0.000 1.077 156 L CA 1.051 55.856 54.840 -0.058 0.000 0.747 156 L CB -0.550 41.480 42.059 -0.049 0.000 0.896 156 L HN 0.372 nan 8.230 nan 0.000 0.432 157 L N -0.381 120.828 121.223 -0.023 0.000 2.083 157 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 157 L C 2.877 179.740 176.870 -0.011 0.000 1.083 157 L CA 1.068 55.903 54.840 -0.010 0.000 0.752 157 L CB -0.717 41.335 42.059 -0.011 0.000 0.899 157 L HN 0.243 nan 8.230 nan 0.000 0.433 158 A N -0.162 122.646 122.820 -0.021 0.000 1.940 158 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 158 A C 2.147 179.726 177.584 -0.008 0.000 1.176 158 A CA 1.280 53.307 52.037 -0.017 0.000 0.631 158 A CB -0.355 18.630 19.000 -0.025 0.000 0.814 158 A HN 0.263 nan 8.150 nan 0.000 0.446 159 R N -1.005 119.492 120.500 -0.006 0.000 2.339 159 R HA 0.069 4.409 4.340 -0.000 0.000 0.199 159 R C 1.426 177.733 176.300 0.011 0.000 1.018 159 R CA 0.744 56.848 56.100 0.006 0.000 1.036 159 R CB -1.031 29.278 30.300 0.014 0.000 0.899 159 R HN 0.926 nan 8.270 nan 0.000 0.473 160 G N 0.924 109.729 108.800 0.008 0.000 2.176 160 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.253 160 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.253 160 G C 0.248 175.159 174.900 0.018 0.000 0.979 160 G CA -0.100 45.007 45.100 0.012 0.000 0.641 160 G HN 0.316 nan 8.290 nan 0.000 0.530 161 I N 1.027 121.611 120.570 0.022 0.000 2.452 161 I HA 0.213 4.383 4.170 -0.000 0.000 0.287 161 I C 1.477 177.610 176.117 0.027 0.000 1.079 161 I CA 0.182 61.501 61.300 0.032 0.000 1.387 161 I CB 1.283 39.311 38.000 0.048 0.000 1.404 161 I HN 0.188 nan 8.210 nan 0.000 0.522 162 Q N 3.151 122.966 119.800 0.024 0.000 2.352 162 Q HA 0.172 4.512 4.340 -0.000 0.000 0.212 162 Q C -0.368 175.641 176.000 0.015 0.000 0.888 162 Q CA 0.466 56.279 55.803 0.018 0.000 0.934 162 Q CB 0.855 29.602 28.738 0.015 0.000 1.093 162 Q HN 0.675 nan 8.270 nan 0.000 0.523 163 T N 0.035 114.598 114.554 0.014 0.000 2.933 163 T HA 0.516 4.866 4.350 -0.000 0.000 0.305 163 T C -1.175 173.517 174.700 -0.013 0.000 1.092 163 T CA -0.507 61.586 62.100 -0.011 0.000 1.008 163 T CB 2.396 71.240 68.868 -0.040 0.000 1.102 163 T HN -0.232 nan 8.240 nan 0.000 0.469 164 V N 2.548 122.442 119.914 -0.033 0.000 2.656 164 V HA 0.533 4.653 4.120 -0.000 0.000 0.307 164 V C -0.497 175.499 176.094 -0.164 0.000 1.051 164 V CA -0.793 61.481 62.300 -0.042 0.000 0.893 164 V CB 2.231 34.090 31.823 0.060 0.000 0.999 164 V HN 0.752 nan 8.190 nan 0.000 0.426 165 V N 3.674 123.448 119.914 -0.232 0.000 2.333 165 V HA 0.300 4.420 4.120 -0.000 0.000 0.274 165 V C 0.066 175.981 176.094 -0.298 0.000 1.028 165 V CA -0.433 61.673 62.300 -0.323 0.000 0.851 165 V CB 1.404 32.934 31.823 -0.487 0.000 1.000 165 V HN 0.886 nan 8.190 nan 0.000 0.456 166 D N 4.579 124.805 120.400 -0.291 0.000 2.316 166 D HA 0.317 4.957 4.640 -0.000 0.000 0.245 166 D C 0.539 176.642 176.300 -0.328 0.000 1.171 166 D CA -0.188 53.606 54.000 -0.343 0.000 0.856 166 D CB 1.994 42.631 40.800 -0.271 0.000 1.090 166 D HN 0.617 nan 8.370 nan 0.000 0.476 167 A N 3.503 126.015 122.820 -0.514 0.000 2.415 167 A HA 0.133 4.453 4.320 -0.000 0.000 0.248 167 A C 0.764 178.313 177.584 -0.060 0.000 1.299 167 A CA -0.286 51.499 52.037 -0.421 0.000 0.899 167 A CB -0.050 18.333 19.000 -1.028 0.000 0.997 167 A HN 0.479 nan 8.150 nan 0.000 0.506 168 T N 3.463 118.060 114.554 0.073 0.000 2.817 168 T HA 0.293 4.643 4.350 -0.000 0.000 0.295 168 T C -2.483 172.224 174.700 0.012 0.000 0.958 168 T CA -0.359 61.875 62.100 0.223 0.000 1.157 168 T CB 0.578 69.535 68.868 0.149 0.000 0.898 168 T HN 0.180 nan 8.240 nan 0.000 0.536 169 P HA 0.169 nan 4.420 nan 0.000 0.270 169 P C 0.719 177.887 177.300 -0.220 0.000 1.223 169 P CA -0.449 62.593 63.100 -0.097 0.000 0.785 169 P CB 0.522 32.170 31.700 -0.086 0.000 0.923 170 N N 1.310 119.851 118.700 -0.265 0.000 2.192 170 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 170 N C 0.834 176.065 175.510 -0.466 0.000 1.013 170 N CA 1.463 54.314 53.050 -0.332 0.000 0.863 170 N CB -0.620 37.674 38.487 -0.321 0.000 0.990 170 N HN 0.555 nan 8.380 nan 0.000 0.430 171 D N -1.403 118.609 120.400 -0.648 0.000 2.328 171 D HA 0.071 4.711 4.640 -0.000 0.000 0.221 171 D C -0.046 176.085 176.300 -0.281 0.000 1.072 171 D CA -0.080 53.639 54.000 -0.468 0.000 0.850 171 D CB -0.743 39.767 40.800 -0.483 0.000 0.922 171 D HN 0.121 nan 8.370 nan 0.000 0.516 172 C N 0.341 119.417 119.300 -0.374 0.000 2.638 172 C HA 0.696 5.156 4.460 -0.000 0.000 0.282 172 C C 1.612 176.196 174.990 -0.677 0.000 1.473 172 C CA -0.139 58.515 59.018 -0.607 0.000 1.781 172 C CB -0.583 26.551 27.740 -1.011 0.000 2.780 172 C HN 0.582 nan 8.230 nan 0.000 0.531 173 G N 1.710 110.321 108.800 -0.315 0.000 2.141 173 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.231 173 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.231 173 G C 0.299 175.015 174.900 -0.307 0.000 0.984 173 G CA 0.037 44.931 45.100 -0.344 0.000 0.660 173 G HN 0.665 nan 8.290 nan 0.000 0.525 174 R N 0.459 120.810 120.500 -0.250 0.000 2.537 174 R HA 0.191 4.531 4.340 -0.000 0.000 0.281 174 R C -0.432 175.785 176.300 -0.139 0.000 0.988 174 R CA 0.689 56.684 56.100 -0.174 0.000 1.077 174 R CB 0.113 30.329 30.300 -0.139 0.000 0.932 174 R HN 0.173 nan 8.270 nan 0.000 0.409 175 N N 5.571 124.208 118.700 -0.104 0.000 2.675 175 N HA 0.211 4.951 4.740 -0.000 0.000 0.254 175 N C -2.415 173.100 175.510 0.008 0.000 1.224 175 N CA -1.789 51.225 53.050 -0.059 0.000 0.777 175 N CB 1.748 40.174 38.487 -0.102 0.000 1.256 175 N HN 0.367 nan 8.380 nan 0.000 0.531 176 P HA -0.078 nan 4.420 nan 0.000 0.216 176 P C 1.025 178.333 177.300 0.013 0.000 1.150 176 P CA 1.248 64.344 63.100 -0.008 0.000 0.843 176 P CB 0.412 32.102 31.700 -0.017 0.000 0.787 177 A N -1.559 121.283 122.820 0.038 0.000 1.969 177 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 177 A C 2.051 179.689 177.584 0.090 0.000 1.169 177 A CA 1.088 53.156 52.037 0.052 0.000 0.635 177 A CB -1.709 17.327 19.000 0.060 0.000 0.810 177 A HN 0.150 nan 8.150 nan 0.000 0.445 178 F N 0.093 120.045 119.950 0.003 0.000 2.146 178 F HA -0.088 4.439 4.527 -0.000 0.000 0.298 178 F C 1.742 177.538 175.800 -0.006 0.000 1.096 178 F CA 1.180 59.199 58.000 0.032 0.000 1.275 178 F CB -0.198 38.807 39.000 0.009 0.000 1.008 178 F HN 0.137 nan 8.300 nan 0.000 0.480 179 L N 0.842 122.053 121.223 -0.019 0.000 2.079 179 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 179 L C 2.649 179.422 176.870 -0.161 0.000 1.081 179 L CA 1.682 56.450 54.840 -0.121 0.000 0.752 179 L CB -1.215 40.806 42.059 -0.063 0.000 0.896 179 L HN 0.178 nan 8.230 nan 0.000 0.433 180 R N -0.277 120.159 120.500 -0.107 0.000 2.075 180 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 180 R C 2.062 178.287 176.300 -0.124 0.000 1.126 180 R CA 1.315 57.361 56.100 -0.091 0.000 0.963 180 R CB -0.092 30.179 30.300 -0.049 0.000 0.858 180 R HN 0.442 nan 8.270 nan 0.000 0.435 181 E N -0.044 120.056 120.200 -0.166 0.000 2.049 181 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 181 E C 1.981 178.440 176.600 -0.234 0.000 1.007 181 E CA 1.938 58.228 56.400 -0.184 0.000 0.809 181 E CB -0.034 29.532 29.700 -0.223 0.000 0.749 181 E HN 0.181 nan 8.360 nan 0.000 0.450 182 V N 0.613 120.304 119.914 -0.371 0.000 2.343 182 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 182 V C 2.409 178.430 176.094 -0.122 0.000 1.051 182 V CA 1.857 63.997 62.300 -0.265 0.000 1.036 182 V CB -0.448 31.201 31.823 -0.290 0.000 0.654 182 V HN 0.245 nan 8.190 nan 0.000 0.451 183 S N -0.545 115.088 115.700 -0.111 0.000 2.355 183 S HA -0.225 4.245 4.470 -0.000 0.000 0.222 183 S C 1.992 176.561 174.600 -0.051 0.000 1.031 183 S CA 1.840 60.003 58.200 -0.061 0.000 0.993 183 S CB -0.225 62.939 63.200 -0.060 0.000 0.859 183 S HN 0.708 nan 8.310 nan 0.000 0.453 184 E N 0.462 120.626 120.200 -0.060 0.000 2.106 184 E HA -0.048 4.302 4.350 -0.000 0.000 0.192 184 E C 2.208 178.784 176.600 -0.039 0.000 0.984 184 E CA 0.936 57.310 56.400 -0.043 0.000 0.806 184 E CB -0.235 29.441 29.700 -0.041 0.000 0.750 184 E HN 0.621 nan 8.360 nan 0.000 0.458 185 A N 0.699 123.488 122.820 -0.052 0.000 2.066 185 A HA -0.103 4.216 4.320 -0.000 0.000 0.218 185 A C 2.173 179.739 177.584 -0.031 0.000 1.157 185 A CA 1.759 53.771 52.037 -0.041 0.000 0.670 185 A CB -0.250 18.718 19.000 -0.054 0.000 0.804 185 A HN 0.364 nan 8.150 nan 0.000 0.453 186 T N -6.938 107.598 114.554 -0.029 0.000 2.954 186 T HA 0.439 4.789 4.350 -0.000 0.000 0.252 186 T C 1.438 176.130 174.700 -0.013 0.000 0.983 186 T CA 1.049 63.138 62.100 -0.019 0.000 0.941 186 T CB 0.399 69.260 68.868 -0.012 0.000 1.141 186 T HN 1.610 nan 8.240 nan 0.000 0.500 187 G N 1.426 110.218 108.800 -0.014 0.000 2.175 187 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.244 187 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.244 187 G C -0.101 174.797 174.900 -0.003 0.000 0.982 187 G CA 0.069 45.163 45.100 -0.010 0.000 0.641 187 G HN 0.802 nan 8.290 nan 0.000 0.527 188 L N 1.510 122.735 121.223 0.004 0.000 2.416 188 L HA 0.581 4.921 4.340 -0.000 0.000 0.272 188 L C 0.594 177.467 176.870 0.005 0.000 1.161 188 L CA 0.005 54.856 54.840 0.018 0.000 0.845 188 L CB 0.604 42.695 42.059 0.053 0.000 1.119 188 L HN 0.351 nan 8.230 nan 0.000 0.464 189 Q N 5.355 125.154 119.800 -0.001 0.000 2.286 189 Q HA 0.509 4.849 4.340 -0.000 0.000 0.257 189 Q C -1.055 174.925 176.000 -0.034 0.000 0.941 189 Q CA 0.140 55.931 55.803 -0.020 0.000 0.912 189 Q CB 1.431 30.157 28.738 -0.020 0.000 1.192 189 Q HN 0.603 nan 8.270 nan 0.000 0.410 190 I N 3.451 123.988 120.570 -0.055 0.000 2.447 190 I HA 0.251 4.421 4.170 -0.000 0.000 0.287 190 I C -1.142 174.912 176.117 -0.105 0.000 1.023 190 I CA -0.867 60.381 61.300 -0.087 0.000 1.083 190 I CB 1.268 39.210 38.000 -0.097 0.000 1.245 190 I HN 0.310 nan 8.210 nan 0.000 0.434 191 L N 6.313 127.451 121.223 -0.142 0.000 2.343 191 L HA 0.538 4.878 4.340 -0.000 0.000 0.275 191 L C 0.159 176.946 176.870 -0.138 0.000 1.056 191 L CA -0.206 54.554 54.840 -0.133 0.000 0.804 191 L CB 1.331 43.289 42.059 -0.168 0.000 1.203 191 L HN 0.749 nan 8.230 nan 0.000 0.440 192 C N 0.002 119.242 119.300 -0.100 0.000 2.668 192 C HA 1.009 5.469 4.460 -0.000 0.000 0.355 192 C C 0.261 175.210 174.990 -0.068 0.000 1.277 192 C CA -0.914 58.046 59.018 -0.097 0.000 1.787 192 C CB 1.065 28.759 27.740 -0.077 0.000 2.233 192 C HN 0.968 nan 8.230 nan 0.000 0.495 193 A N 0.147 122.932 122.820 -0.059 0.000 2.288 193 A HA 0.855 5.175 4.320 -0.000 0.000 0.328 193 A C -0.172 177.411 177.584 -0.003 0.000 1.123 193 A CA -0.235 51.786 52.037 -0.027 0.000 0.861 193 A CB 1.060 20.042 19.000 -0.029 0.000 1.272 193 A HN 1.352 nan 8.150 nan 0.000 0.490 194 T N -0.909 113.660 114.554 0.025 0.000 2.879 194 T HA 0.672 5.022 4.350 -0.000 0.000 0.290 194 T C -0.332 174.430 174.700 0.104 0.000 0.993 194 T CA 0.491 62.627 62.100 0.060 0.000 0.975 194 T CB 0.788 69.688 68.868 0.053 0.000 0.981 194 T HN 2.352 nan 8.240 nan 0.000 0.439 195 G N 3.002 111.909 108.800 0.178 0.000 2.350 195 G HA2 0.397 4.357 3.960 -0.000 0.000 0.304 195 G HA3 0.397 4.357 3.960 -0.000 0.000 0.304 195 G C -2.207 172.869 174.900 0.294 0.000 1.421 195 G CA -0.856 44.391 45.100 0.245 0.000 0.934 195 G HN 0.577 nan 8.290 nan 0.000 0.632 196 F N -0.076 119.805 119.950 -0.116 0.000 2.538 196 F HA 0.703 5.230 4.527 -0.000 0.000 0.325 196 F C 0.432 176.212 175.800 -0.033 0.000 1.066 196 F CA -0.880 57.025 58.000 -0.157 0.000 0.946 196 F CB 1.635 40.374 39.000 -0.435 0.000 1.199 196 F HN 0.567 nan 8.300 nan 0.000 0.473 197 Y N 2.150 122.502 120.300 0.087 0.000 2.279 197 Y HA 0.101 4.651 4.550 -0.000 0.000 0.350 197 Y C 0.136 176.149 175.900 0.189 0.000 1.288 197 Y CA -1.253 56.925 58.100 0.131 0.000 1.547 197 Y CB 0.149 38.683 38.460 0.124 0.000 1.381 197 Y HN 0.545 nan 8.280 nan 0.000 0.630 198 Y N -0.316 119.814 120.300 -0.282 0.000 2.281 198 Y HA 0.201 4.751 4.550 -0.000 0.000 0.337 198 Y C 1.484 177.378 175.900 -0.010 0.000 1.304 198 Y CA -0.334 57.693 58.100 -0.121 0.000 1.465 198 Y CB 0.324 38.661 38.460 -0.204 0.000 1.350 198 Y HN 0.740 nan 8.280 nan 0.000 0.575 199 E N 1.312 121.561 120.200 0.082 0.000 2.160 199 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 199 E C 2.135 178.522 176.600 -0.355 0.000 0.991 199 E CA 1.413 57.742 56.400 -0.118 0.000 0.810 199 E CB -0.519 29.198 29.700 0.029 0.000 0.742 199 E HN 1.096 nan 8.360 nan 0.000 0.466 200 G N 0.037 108.469 108.800 -0.615 0.000 2.422 200 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 200 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 200 G C 1.188 175.723 174.900 -0.608 0.000 1.140 200 G CA 0.840 45.613 45.100 -0.545 0.000 0.775 200 G HN 0.290 nan 8.290 nan 0.000 0.545 201 E N -0.940 118.685 120.200 -0.957 0.000 2.639 201 E HA 0.207 4.557 4.350 -0.000 0.000 0.225 201 E C 1.376 177.953 176.600 -0.038 0.000 0.921 201 E CA -0.188 55.996 56.400 -0.360 0.000 1.184 201 E CB 1.042 30.667 29.700 -0.124 0.000 1.160 201 E HN 0.294 nan 8.360 nan 0.000 0.547 202 G N 0.951 109.705 108.800 -0.077 0.000 2.621 202 G HA2 0.387 4.347 3.960 -0.000 0.000 0.271 202 G HA3 0.387 4.347 3.960 -0.000 0.000 0.271 202 G C -0.172 174.794 174.900 0.110 0.000 1.236 202 G CA -0.184 45.018 45.100 0.171 0.000 0.958 202 G HN 0.149 nan 8.290 nan 0.000 0.512 203 A N 0.022 122.951 122.820 0.182 0.000 2.807 203 A HA 0.472 4.792 4.320 -0.000 0.000 0.307 203 A C 1.345 179.116 177.584 0.311 0.000 1.532 203 A CA 0.341 52.482 52.037 0.173 0.000 1.215 203 A CB -0.389 18.695 19.000 0.141 0.000 1.127 203 A HN 1.004 nan 8.150 nan 0.000 0.543 204 T N -1.638 112.995 114.554 0.132 0.000 3.086 204 T HA -0.024 4.325 4.350 -0.000 0.000 0.250 204 T C 1.431 176.202 174.700 0.119 0.000 1.074 204 T CA 1.226 63.345 62.100 0.031 0.000 0.988 204 T CB -0.278 68.241 68.868 -0.582 0.000 0.988 204 T HN 0.354 nan 8.240 nan 0.000 0.530 205 T N 0.932 115.572 114.554 0.142 0.000 2.746 205 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 205 T C 1.299 176.137 174.700 0.230 0.000 1.039 205 T CA 1.391 63.570 62.100 0.132 0.000 1.142 205 T CB -0.588 68.321 68.868 0.067 0.000 0.866 205 T HN 0.492 nan 8.240 nan 0.000 0.444 206 Y N 1.149 121.541 120.300 0.154 0.000 2.014 206 Y HA -0.186 4.364 4.550 -0.000 0.000 0.270 206 Y C 1.932 177.899 175.900 0.112 0.000 1.145 206 Y CA 1.234 59.392 58.100 0.096 0.000 1.106 206 Y CB -0.766 37.709 38.460 0.024 0.000 0.968 206 Y HN 0.207 nan 8.280 nan 0.000 0.484 207 F N 0.262 120.386 119.950 0.291 0.000 2.365 207 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 207 F C 2.191 178.102 175.800 0.185 0.000 1.090 207 F CA 1.213 59.289 58.000 0.128 0.000 1.408 207 F CB -0.158 38.935 39.000 0.155 0.000 1.060 207 F HN 0.018 nan 8.300 nan 0.000 0.534 208 K N -0.646 120.023 120.400 0.448 0.000 2.148 208 K HA -0.175 4.145 4.320 -0.000 0.000 0.204 208 K C 1.867 178.589 176.600 0.205 0.000 1.050 208 K CA 1.145 57.621 56.287 0.314 0.000 0.942 208 K CB -0.341 32.289 32.500 0.217 0.000 0.724 208 K HN 0.167 nan 8.250 nan 0.000 0.446 209 F N 2.233 122.179 119.950 -0.007 0.000 2.113 209 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 209 F C 2.093 177.825 175.800 -0.113 0.000 1.103 209 F CA 1.346 59.303 58.000 -0.072 0.000 1.248 209 F CB -0.028 38.900 39.000 -0.120 0.000 0.999 209 F HN -0.143 nan 8.300 nan 0.000 0.475 210 R N 0.376 120.717 120.500 -0.265 0.000 2.105 210 R HA -0.153 4.187 4.340 -0.000 0.000 0.239 210 R C 2.308 178.499 176.300 -0.182 0.000 1.135 210 R CA 1.322 57.224 56.100 -0.331 0.000 0.967 210 R CB -1.263 28.855 30.300 -0.303 0.000 0.861 210 R HN 0.415 nan 8.270 nan 0.000 0.442 211 A N 0.867 123.656 122.820 -0.053 0.000 1.969 211 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 211 A C 2.264 179.808 177.584 -0.066 0.000 1.169 211 A CA 1.724 53.742 52.037 -0.032 0.000 0.635 211 A CB -0.342 18.680 19.000 0.037 0.000 0.810 211 A HN 0.459 nan 8.150 nan 0.000 0.445 212 S N -0.352 115.294 115.700 -0.090 0.000 2.436 212 S HA 0.046 4.516 4.470 -0.000 0.000 0.228 212 S C 1.730 176.235 174.600 -0.159 0.000 1.014 212 S CA 1.123 59.270 58.200 -0.090 0.000 0.950 212 S CB -0.463 62.708 63.200 -0.049 0.000 0.784 212 S HN 0.440 nan 8.310 nan 0.000 0.504 213 L N 0.559 121.617 121.223 -0.275 0.000 2.307 213 L HA 0.383 4.723 4.340 -0.000 0.000 0.211 213 L C 1.526 178.292 176.870 -0.172 0.000 1.099 213 L CA 0.537 55.217 54.840 -0.267 0.000 0.816 213 L CB -0.400 41.404 42.059 -0.424 0.000 0.952 213 L HN 0.585 nan 8.230 nan 0.000 0.455 214 G N -1.550 107.161 108.800 -0.149 0.000 2.772 214 G HA2 0.082 4.042 3.960 -0.000 0.000 0.284 214 G HA3 0.082 4.042 3.960 -0.000 0.000 0.284 214 G C -1.711 173.142 174.900 -0.079 0.000 1.217 214 G CA -0.326 44.714 45.100 -0.100 0.000 0.831 214 G HN -0.144 nan 8.290 nan 0.000 0.523 215 D N 0.905 121.267 120.400 -0.063 0.000 2.483 215 D HA 0.522 5.162 4.640 -0.000 0.000 0.220 215 D C 1.414 177.679 176.300 -0.058 0.000 1.173 215 D CA 0.337 54.301 54.000 -0.060 0.000 0.964 215 D CB 0.780 41.548 40.800 -0.052 0.000 1.046 215 D HN 0.493 nan 8.370 nan 0.000 0.517 216 A N 3.679 126.456 122.820 -0.072 0.000 1.902 216 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 216 A C 1.959 179.418 177.584 -0.208 0.000 1.181 216 A CA 1.431 53.422 52.037 -0.076 0.000 0.623 216 A CB -0.458 18.498 19.000 -0.073 0.000 0.818 216 A HN 0.657 nan 8.150 nan 0.000 0.443 217 E N -0.013 120.055 120.200 -0.220 0.000 2.097 217 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 217 E C 2.081 178.606 176.600 -0.126 0.000 1.000 217 E CA 1.582 57.840 56.400 -0.237 0.000 0.804 217 E CB -0.134 29.464 29.700 -0.171 0.000 0.740 217 E HN 0.547 nan 8.360 nan 0.000 0.454 218 S N 0.405 116.066 115.700 -0.064 0.000 2.383 218 S HA -0.132 4.338 4.470 -0.000 0.000 0.227 218 S C 1.684 176.338 174.600 0.089 0.000 1.026 218 S CA 1.181 59.399 58.200 0.029 0.000 0.981 218 S CB -0.163 63.043 63.200 0.009 0.000 0.818 218 S HN 0.337 nan 8.310 nan 0.000 0.472 219 E N 0.723 120.945 120.200 0.037 0.000 2.110 219 E HA -0.071 4.278 4.350 -0.000 0.000 0.193 219 E C 1.895 178.523 176.600 0.048 0.000 0.988 219 E CA 0.939 57.397 56.400 0.097 0.000 0.804 219 E CB -0.220 29.590 29.700 0.183 0.000 0.745 219 E HN 0.481 nan 8.360 nan 0.000 0.458 220 I N 0.367 120.834 120.570 -0.171 0.000 2.286 220 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 220 I C 2.437 178.476 176.117 -0.130 0.000 1.104 220 I CA 0.899 61.981 61.300 -0.363 0.000 1.397 220 I CB -0.234 37.259 38.000 -0.845 0.000 1.072 220 I HN 0.148 nan 8.210 nan 0.000 0.417 221 Y N 1.810 122.014 120.300 -0.161 0.000 2.145 221 Y HA -0.300 4.250 4.550 -0.000 0.000 0.286 221 Y C 2.495 178.374 175.900 -0.035 0.000 1.145 221 Y CA 2.016 60.063 58.100 -0.087 0.000 1.148 221 Y CB -0.366 38.046 38.460 -0.080 0.000 0.981 221 Y HN 0.158 nan 8.280 nan 0.000 0.507 222 E N 0.026 120.129 120.200 -0.162 0.000 2.110 222 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 222 E C 2.338 178.847 176.600 -0.151 0.000 0.988 222 E CA 1.390 57.664 56.400 -0.209 0.000 0.804 222 E CB -0.242 29.479 29.700 0.034 0.000 0.745 222 E HN 0.683 nan 8.360 nan 0.000 0.458 223 M N -0.037 119.534 119.600 -0.048 0.000 2.077 223 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 223 M C 2.207 178.493 176.300 -0.024 0.000 1.070 223 M CA 1.535 56.852 55.300 0.028 0.000 1.125 223 M CB -0.075 32.615 32.600 0.149 0.000 1.339 223 M HN 0.153 nan 8.290 nan 0.000 0.409 224 M N -0.447 119.118 119.600 -0.058 0.000 2.080 224 M HA -0.246 4.234 4.480 -0.000 0.000 0.260 224 M C 2.408 178.628 176.300 -0.134 0.000 1.068 224 M CA 1.956 57.219 55.300 -0.061 0.000 1.109 224 M CB -0.665 31.904 32.600 -0.053 0.000 1.342 224 M HN 0.340 nan 8.290 nan 0.000 0.405 225 R N -0.235 120.093 120.500 -0.288 0.000 2.096 225 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 225 R C 1.844 178.049 176.300 -0.158 0.000 1.127 225 R CA 1.854 57.784 56.100 -0.284 0.000 0.968 225 R CB -0.237 29.746 30.300 -0.529 0.000 0.861 225 R HN 0.323 nan 8.270 nan 0.000 0.440 226 T N 0.718 115.192 114.554 -0.133 0.000 2.777 226 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 226 T C 1.412 176.089 174.700 -0.038 0.000 1.040 226 T CA 1.360 63.421 62.100 -0.066 0.000 1.141 226 T CB -0.070 68.776 68.868 -0.036 0.000 0.868 226 T HN 0.418 nan 8.240 nan 0.000 0.444 227 E N 0.333 120.516 120.200 -0.029 0.000 2.150 227 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 227 E C 2.220 178.808 176.600 -0.019 0.000 0.985 227 E CA 0.649 57.042 56.400 -0.011 0.000 0.814 227 E CB -0.036 29.671 29.700 0.011 0.000 0.752 227 E HN 0.246 nan 8.360 nan 0.000 0.466 228 V N 0.886 120.780 119.914 -0.033 0.000 2.649 228 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 228 V C 2.442 178.516 176.094 -0.034 0.000 1.054 228 V CA 2.044 64.324 62.300 -0.032 0.000 1.073 228 V CB 0.022 31.821 31.823 -0.040 0.000 0.699 228 V HN 0.454 nan 8.190 nan 0.000 0.463 229 T N -3.860 110.671 114.554 -0.038 0.000 3.015 229 T HA 0.147 4.497 4.350 -0.000 0.000 0.250 229 T C 1.348 176.035 174.700 -0.021 0.000 1.057 229 T CA 0.607 62.689 62.100 -0.030 0.000 1.066 229 T CB 0.409 69.258 68.868 -0.032 0.000 0.959 229 T HN 0.495 nan 8.240 nan 0.000 0.488 230 E N 0.434 120.621 120.200 -0.021 0.000 2.378 230 E HA 0.535 4.885 4.350 -0.000 0.000 0.200 230 E C 0.777 177.371 176.600 -0.010 0.000 0.882 230 E CA 0.112 56.504 56.400 -0.013 0.000 1.061 230 E CB 1.199 30.892 29.700 -0.011 0.000 1.049 230 E HN 0.563 nan 8.360 nan 0.000 0.494 231 G N 0.737 109.531 108.800 -0.010 0.000 2.350 231 G HA2 0.211 4.171 3.960 -0.000 0.000 0.305 231 G HA3 0.211 4.171 3.960 -0.000 0.000 0.305 231 G C -1.649 173.250 174.900 -0.001 0.000 1.479 231 G CA -1.057 44.039 45.100 -0.006 0.000 0.949 231 G HN 0.024 nan 8.290 nan 0.000 0.651 232 I N 1.481 122.051 120.570 -0.001 0.000 2.315 232 I HA 0.470 4.640 4.170 -0.000 0.000 0.291 232 I C 1.247 177.368 176.117 0.005 0.000 1.006 232 I CA 0.555 61.857 61.300 0.005 0.000 1.265 232 I CB 1.546 39.546 38.000 -0.000 0.000 1.387 232 I HN 1.818 nan 8.210 nan 0.000 0.475 233 A N 5.054 127.881 122.820 0.011 0.000 2.745 233 A HA -0.132 4.188 4.320 -0.000 0.000 0.296 233 A C 1.484 179.072 177.584 0.006 0.000 1.500 233 A CA 0.816 52.858 52.037 0.009 0.000 0.766 233 A CB -1.966 17.036 19.000 0.003 0.000 1.030 233 A HN 1.757 nan 8.150 nan 0.000 0.489 234 G N -2.052 106.752 108.800 0.007 0.000 2.196 234 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.268 234 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.268 234 G C 1.630 176.532 174.900 0.003 0.000 0.975 234 G CA 1.907 47.010 45.100 0.005 0.000 0.648 234 G HN 2.473 nan 8.290 nan 0.000 0.538 235 T N -2.341 112.215 114.554 0.002 0.000 3.113 235 T HA 0.403 4.753 4.350 -0.000 0.000 0.256 235 T C 2.549 177.248 174.700 -0.001 0.000 1.131 235 T CA 1.635 63.736 62.100 0.001 0.000 1.074 235 T CB 0.059 68.928 68.868 0.001 0.000 0.944 235 T HN 2.193 nan 8.240 nan 0.000 0.516 236 G N 1.451 110.250 108.800 -0.002 0.000 2.245 236 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.264 236 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.264 236 G C 0.098 174.994 174.900 -0.007 0.000 0.985 236 G CA 0.235 45.333 45.100 -0.004 0.000 0.625 236 G HN 0.669 nan 8.290 nan 0.000 0.536 237 I N 1.978 122.543 120.570 -0.008 0.000 2.416 237 I HA 0.329 4.499 4.170 -0.000 0.000 0.288 237 I C 1.057 177.165 176.117 -0.014 0.000 1.051 237 I CA -0.355 60.937 61.300 -0.013 0.000 1.375 237 I CB 0.649 38.640 38.000 -0.015 0.000 1.407 237 I HN 0.078 nan 8.210 nan 0.000 0.516 238 R N 4.734 125.224 120.500 -0.017 0.000 2.598 238 R HA 0.714 5.054 4.340 -0.000 0.000 0.279 238 R C -0.362 175.925 176.300 -0.021 0.000 0.984 238 R CA -0.927 55.162 56.100 -0.017 0.000 0.999 238 R CB 1.514 31.803 30.300 -0.018 0.000 1.114 238 R HN 0.679 nan 8.270 nan 0.000 0.493 239 A N 0.660 123.469 122.820 -0.018 0.000 2.401 239 A HA 0.366 4.686 4.320 -0.000 0.000 0.259 239 A C 1.039 178.614 177.584 -0.015 0.000 1.103 239 A CA -0.126 51.900 52.037 -0.018 0.000 0.789 239 A CB 0.596 19.591 19.000 -0.008 0.000 1.035 239 A HN 0.931 nan 8.150 nan 0.000 0.491 240 G N 0.698 109.489 108.800 -0.015 0.000 2.986 240 G HA2 0.405 4.365 3.960 -0.000 0.000 0.213 240 G HA3 0.405 4.365 3.960 -0.000 0.000 0.213 240 G C 0.325 175.255 174.900 0.051 0.000 1.156 240 G CA 0.926 46.029 45.100 0.005 0.000 0.763 240 G HN 1.760 nan 8.290 nan 0.000 0.547 241 V N -2.707 117.232 119.914 0.041 0.000 3.178 241 V HA 0.692 4.812 4.120 -0.000 0.000 0.302 241 V C -0.720 175.397 176.094 0.038 0.000 1.262 241 V CA -1.527 60.820 62.300 0.078 0.000 1.030 241 V CB 1.863 33.773 31.823 0.145 0.000 1.074 241 V HN -0.040 nan 8.190 nan 0.000 0.438 245 A N 1.069 124.031 122.820 0.238 0.000 2.574 245 A HA 0.955 5.275 4.320 -0.000 0.000 0.297 245 A C -0.931 176.911 177.584 0.430 0.000 1.062 245 A CA -0.064 52.177 52.037 0.341 0.000 0.686 245 A CB 2.167 21.315 19.000 0.246 0.000 1.285 245 A HN 0.758 nan 8.150 nan 0.000 0.403 246 S N 0.148 116.056 115.700 0.347 0.000 2.661 246 S HA 0.847 5.317 4.470 -0.000 0.000 0.285 246 S C -0.152 174.495 174.600 0.079 0.000 1.138 246 S CA -0.457 57.885 58.200 0.235 0.000 0.855 246 S CB 1.365 64.638 63.200 0.121 0.000 1.136 246 S HN 0.971 nan 8.310 nan 0.000 0.484 247 S N 0.555 116.334 115.700 0.131 0.000 2.645 247 S HA 0.385 4.855 4.470 -0.000 0.000 0.266 247 S C 1.311 175.917 174.600 0.011 0.000 1.258 247 S CA -0.859 57.407 58.200 0.111 0.000 0.990 247 S CB 0.837 64.168 63.200 0.218 0.000 0.967 247 S HN 0.746 nan 8.310 nan 0.000 0.556 248 R N 0.870 121.374 120.500 0.007 0.000 2.080 248 R HA -0.140 4.200 4.340 -0.000 0.000 0.236 248 R C 0.477 176.776 176.300 -0.002 0.000 1.137 248 R CA 1.816 57.906 56.100 -0.016 0.000 0.943 248 R CB -0.482 29.814 30.300 -0.008 0.000 0.846 248 R HN 0.622 nan 8.270 nan 0.000 0.431 249 D N -0.628 119.781 120.400 0.016 0.000 2.347 249 D HA 0.144 4.784 4.640 -0.000 0.000 0.213 249 D C 0.081 176.385 176.300 0.006 0.000 0.985 249 D CA 0.840 54.846 54.000 0.011 0.000 0.879 249 D CB 0.761 41.571 40.800 0.016 0.000 0.919 249 D HN 0.344 nan 8.370 nan 0.000 0.526 250 A N -0.342 122.482 122.820 0.006 0.000 2.549 250 A HA 0.429 4.749 4.320 -0.000 0.000 0.291 250 A C -1.518 176.051 177.584 -0.026 0.000 1.034 250 A CA -0.781 51.247 52.037 -0.015 0.000 0.655 250 A CB 0.245 19.241 19.000 -0.007 0.000 1.299 250 A HN -0.005 nan 8.150 nan 0.000 0.427 251 I N 2.708 123.226 120.570 -0.087 0.000 2.322 251 I HA 0.283 4.453 4.170 -0.000 0.000 0.292 251 I C 1.294 177.372 176.117 -0.065 0.000 1.060 251 I CA -0.057 61.152 61.300 -0.151 0.000 1.309 251 I CB 1.084 38.851 38.000 -0.387 0.000 1.415 251 I HN 0.797 nan 8.210 nan 0.000 0.492 252 T N 3.458 118.033 114.554 0.034 0.000 2.813 252 T HA 0.177 4.527 4.350 -0.000 0.000 0.297 252 T C -1.789 172.967 174.700 0.094 0.000 1.036 252 T CA -1.326 60.823 62.100 0.082 0.000 1.044 252 T CB 1.067 70.027 68.868 0.154 0.000 0.993 252 T HN 0.268 nan 8.240 nan 0.000 0.535 253 P HA -0.085 nan 4.420 nan 0.000 0.215 253 P C 1.208 178.604 177.300 0.161 0.000 1.153 253 P CA 0.964 64.119 63.100 0.093 0.000 0.853 253 P CB -0.222 31.528 31.700 0.084 0.000 0.788 254 Y N 1.255 121.619 120.300 0.107 0.000 2.128 254 Y HA -0.258 4.292 4.550 -0.000 0.000 0.284 254 Y C 2.077 178.176 175.900 0.331 0.000 1.154 254 Y CA 1.824 60.040 58.100 0.193 0.000 1.149 254 Y CB -0.754 37.829 38.460 0.204 0.000 0.976 254 Y HN -0.023 nan 8.280 nan 0.000 0.505 255 E N -0.169 120.255 120.200 0.374 0.000 2.110 255 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 255 E C 2.158 178.949 176.600 0.318 0.000 0.988 255 E CA 1.482 58.090 56.400 0.348 0.000 0.804 255 E CB -0.172 29.693 29.700 0.275 0.000 0.745 255 E HN 0.643 nan 8.360 nan 0.000 0.458 256 Q N 0.286 120.154 119.800 0.112 0.000 2.170 256 Q HA -0.163 4.177 4.340 -0.000 0.000 0.203 256 Q C 2.373 178.416 176.000 0.070 0.000 0.976 256 Q CA 0.888 56.727 55.803 0.061 0.000 0.858 256 Q CB -0.197 28.528 28.738 -0.022 0.000 0.907 256 Q HN 0.391 nan 8.270 nan 0.000 0.433 257 L N -0.371 120.822 121.223 -0.051 0.000 2.042 257 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 257 L C 2.234 178.904 176.870 -0.334 0.000 1.076 257 L CA 1.363 56.040 54.840 -0.271 0.000 0.749 257 L CB -0.529 41.210 42.059 -0.534 0.000 0.893 257 L HN 0.120 nan 8.230 nan 0.000 0.432 258 F N -1.301 118.580 119.950 -0.115 0.000 2.163 258 F HA -0.148 4.379 4.527 -0.000 0.000 0.297 258 F C 2.210 178.031 175.800 0.036 0.000 1.094 258 F CA 1.068 59.018 58.000 -0.083 0.000 1.290 258 F CB -0.722 38.224 39.000 -0.091 0.000 1.017 258 F HN -0.128 nan 8.300 nan 0.000 0.483 259 F N 0.633 120.643 119.950 0.100 0.000 2.134 259 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 259 F C 2.440 178.250 175.800 0.017 0.000 1.097 259 F CA 1.349 59.384 58.000 0.059 0.000 1.264 259 F CB -0.704 38.322 39.000 0.043 0.000 1.001 259 F HN -0.181 nan 8.300 nan 0.000 0.479 260 R N -0.361 120.242 120.500 0.172 0.000 2.075 260 R HA -0.082 4.258 4.340 -0.000 0.000 0.232 260 R C 2.425 178.742 176.300 0.027 0.000 1.126 260 R CA 1.167 57.305 56.100 0.063 0.000 0.963 260 R CB -0.769 29.535 30.300 0.008 0.000 0.858 260 R HN 0.265 nan 8.270 nan 0.000 0.435 261 A N 1.231 124.052 122.820 0.001 0.000 1.902 261 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 261 A C 2.354 180.002 177.584 0.107 0.000 1.181 261 A CA 1.628 53.700 52.037 0.057 0.000 0.623 261 A CB -0.578 18.406 19.000 -0.026 0.000 0.818 261 A HN 0.393 nan 8.150 nan 0.000 0.443 262 A N -0.054 122.794 122.820 0.046 0.000 1.902 262 A HA 0.156 4.476 4.320 -0.000 0.000 0.217 262 A C 2.508 180.111 177.584 0.031 0.000 1.181 262 A CA 2.071 54.120 52.037 0.021 0.000 0.623 262 A CB -1.040 17.926 19.000 -0.056 0.000 0.818 262 A HN 1.070 nan 8.150 nan 0.000 0.443 263 A N -0.037 122.803 122.820 0.033 0.000 1.908 263 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 263 A C 2.244 179.858 177.584 0.050 0.000 1.181 263 A CA 1.708 53.766 52.037 0.035 0.000 0.627 263 A CB -0.466 18.560 19.000 0.042 0.000 0.818 263 A HN 0.583 nan 8.150 nan 0.000 0.445 264 R N -0.833 119.710 120.500 0.071 0.000 2.066 264 R HA -0.057 4.283 4.340 -0.000 0.000 0.232 264 R C 1.981 178.399 176.300 0.196 0.000 1.131 264 R CA 1.433 57.587 56.100 0.090 0.000 0.955 264 R CB -0.567 29.738 30.300 0.009 0.000 0.851 264 R HN 0.376 nan 8.270 nan 0.000 0.432 265 V N 1.136 121.185 119.914 0.224 0.000 2.515 265 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 265 V C 2.498 178.633 176.094 0.069 0.000 1.058 265 V CA 1.482 63.864 62.300 0.137 0.000 1.064 265 V CB -0.490 31.343 31.823 0.016 0.000 0.675 265 V HN 0.318 nan 8.190 nan 0.000 0.461 266 Q N 0.606 120.436 119.800 0.050 0.000 2.050 266 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 266 Q C 2.462 178.482 176.000 0.033 0.000 0.980 266 Q CA 1.840 57.659 55.803 0.026 0.000 0.840 266 Q CB -0.165 28.581 28.738 0.012 0.000 0.898 266 Q HN 0.572 nan 8.270 nan 0.000 0.424 267 R N 0.047 120.572 120.500 0.042 0.000 2.096 267 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 267 R C 2.247 178.574 176.300 0.045 0.000 1.127 267 R CA 1.605 57.727 56.100 0.038 0.000 0.968 267 R CB -0.050 30.269 30.300 0.032 0.000 0.861 267 R HN 0.369 nan 8.270 nan 0.000 0.440 268 E N -0.958 119.281 120.200 0.064 0.000 2.158 268 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 268 E C 1.591 178.218 176.600 0.046 0.000 0.982 268 E CA 1.589 58.028 56.400 0.065 0.000 0.823 268 E CB 0.281 30.045 29.700 0.107 0.000 0.766 268 E HN 0.437 nan 8.360 nan 0.000 0.468 269 T N -4.624 109.950 114.554 0.033 0.000 2.959 269 T HA 0.317 4.667 4.350 -0.000 0.000 0.254 269 T C 1.558 176.256 174.700 -0.003 0.000 1.003 269 T CA 0.437 62.543 62.100 0.010 0.000 0.950 269 T CB 1.016 69.879 68.868 -0.009 0.000 1.090 269 T HN 0.225 nan 8.240 nan 0.000 0.503 270 G N 1.137 109.943 108.800 0.010 0.000 2.199 270 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.254 270 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.254 270 G C 0.282 175.165 174.900 -0.027 0.000 0.982 270 G CA 0.087 45.193 45.100 0.010 0.000 0.632 270 G HN 1.062 nan 8.290 nan 0.000 0.529 271 V N 2.897 122.790 119.914 -0.035 0.000 2.694 271 V HA 0.426 4.546 4.120 -0.000 0.000 0.306 271 V C -1.128 174.954 176.094 -0.018 0.000 1.054 271 V CA -0.564 61.716 62.300 -0.033 0.000 1.161 271 V CB 0.849 32.659 31.823 -0.022 0.000 0.916 271 V HN 0.236 nan 8.190 nan 0.000 0.490 272 P HA 0.338 nan 4.420 nan 0.000 0.272 272 P C -0.783 176.512 177.300 -0.008 0.000 1.230 272 P CA 0.014 63.089 63.100 -0.042 0.000 0.788 272 P CB 0.554 32.191 31.700 -0.105 0.000 0.949 273 I N 2.129 122.677 120.570 -0.036 0.000 2.436 273 I HA 0.416 4.585 4.170 -0.000 0.000 0.289 273 I C 0.274 176.386 176.117 -0.009 0.000 1.010 273 I CA -0.894 60.389 61.300 -0.029 0.000 1.098 273 I CB 1.220 39.177 38.000 -0.071 0.000 1.266 273 I HN 0.244 nan 8.210 nan 0.000 0.434 274 I N 2.955 123.549 120.570 0.039 0.000 2.603 274 I HA 0.820 4.990 4.170 -0.000 0.000 0.300 274 I C -0.226 175.926 176.117 0.059 0.000 1.017 274 I CA -0.281 61.070 61.300 0.085 0.000 1.098 274 I CB 2.283 40.396 38.000 0.189 0.000 1.279 274 I HN 0.568 nan 8.210 nan 0.000 0.437 275 T N 0.257 114.848 114.554 0.061 0.000 2.864 275 T HA 0.495 4.845 4.350 -0.000 0.000 0.289 275 T C -1.089 173.601 174.700 -0.017 0.000 1.082 275 T CA -0.621 61.504 62.100 0.041 0.000 1.009 275 T CB 1.552 70.424 68.868 0.006 0.000 1.234 275 T HN 0.942 nan 8.240 nan 0.000 0.526 276 H N 0.146 119.129 119.070 -0.144 0.000 2.466 276 H HA 0.665 5.221 4.556 -0.000 0.000 0.338 276 H C -0.331 174.826 175.328 -0.284 0.000 1.091 276 H CA -0.375 55.378 56.048 -0.492 0.000 1.207 276 H CB 1.558 31.299 29.762 -0.034 0.000 1.466 276 H HN 0.978 nan 8.280 nan 0.000 0.493 277 T N 2.100 116.216 114.554 -0.730 0.000 2.885 277 T HA 0.258 4.608 4.350 -0.000 0.000 0.285 277 T C -0.232 174.094 174.700 -0.624 0.000 1.019 277 T CA -1.161 60.699 62.100 -0.401 0.000 1.010 277 T CB 1.833 70.601 68.868 -0.165 0.000 1.022 277 T HN 0.573 nan 8.240 nan 0.000 0.466 278 Q N 1.104 120.670 119.800 -0.391 0.000 2.331 278 Q HA 0.304 4.644 4.340 -0.000 0.000 0.257 278 Q C -0.284 175.612 176.000 -0.173 0.000 0.957 278 Q CA 0.156 55.778 55.803 -0.301 0.000 0.923 278 Q CB 0.201 28.776 28.738 -0.272 0.000 1.212 278 Q HN 0.844 nan 8.270 nan 0.000 0.443 279 E N 3.234 123.345 120.200 -0.148 0.000 2.297 279 E HA -0.273 4.077 4.350 -0.000 0.000 0.228 279 E C 0.333 176.832 176.600 -0.169 0.000 1.213 279 E CA 0.503 56.828 56.400 -0.126 0.000 0.712 279 E CB -1.791 27.858 29.700 -0.084 0.000 1.202 279 E HN 1.116 nan 8.360 nan 0.000 0.376 280 G N 0.044 108.723 108.800 -0.201 0.000 2.225 280 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.267 280 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.267 280 G C 0.028 174.698 174.900 -0.384 0.000 1.024 280 G CA 0.958 45.856 45.100 -0.335 0.000 0.784 280 G HN 0.386 nan 8.290 nan 0.000 0.507 281 Q N -1.753 117.975 119.800 -0.120 0.000 2.451 281 Q HA 0.597 4.937 4.340 -0.000 0.000 0.281 281 Q C 0.609 176.670 176.000 0.101 0.000 1.099 281 Q CA -0.906 54.909 55.803 0.020 0.000 0.806 281 Q CB 1.480 30.199 28.738 -0.031 0.000 1.419 281 Q HN 0.177 nan 8.270 nan 0.000 0.427 282 Q N -1.175 118.704 119.800 0.132 0.000 2.342 282 Q HA -0.187 4.153 4.340 -0.000 0.000 0.196 282 Q C 0.860 176.849 176.000 -0.018 0.000 0.629 282 Q CA 1.180 57.003 55.803 0.032 0.000 1.365 282 Q CB -2.192 26.540 28.738 -0.010 0.000 1.406 282 Q HN 1.052 nan 8.270 nan 0.000 0.840 283 G N 1.268 110.051 108.800 -0.029 0.000 2.459 283 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 283 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 283 G C -0.991 173.759 174.900 -0.250 0.000 1.183 283 G CA 1.309 46.294 45.100 -0.191 0.000 0.776 283 G HN 0.391 nan 8.290 nan 0.000 0.552 284 P HA -0.065 nan 4.420 nan 0.000 0.216 284 P C 1.790 178.960 177.300 -0.216 0.000 1.153 284 P CA 1.250 64.216 63.100 -0.223 0.000 0.848 284 P CB 0.018 31.621 31.700 -0.161 0.000 0.787 285 Q N -0.549 119.165 119.800 -0.142 0.000 2.124 285 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 285 Q C 2.265 178.184 176.000 -0.134 0.000 0.977 285 Q CA 1.599 57.326 55.803 -0.127 0.000 0.850 285 Q CB -0.842 27.838 28.738 -0.096 0.000 0.901 285 Q HN 0.412 nan 8.270 nan 0.000 0.429 286 Q N -0.585 119.165 119.800 -0.084 0.000 2.079 286 Q HA -0.052 4.288 4.340 -0.000 0.000 0.200 286 Q C 2.086 178.090 176.000 0.006 0.000 0.974 286 Q CA 1.196 57.039 55.803 0.065 0.000 0.840 286 Q CB -0.207 28.657 28.738 0.210 0.000 0.898 286 Q HN 0.432 nan 8.270 nan 0.000 0.430 287 A N 1.173 123.893 122.820 -0.166 0.000 1.898 287 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 287 A C 1.966 179.305 177.584 -0.409 0.000 1.181 287 A CA 1.729 53.603 52.037 -0.272 0.000 0.620 287 A CB -0.469 18.314 19.000 -0.363 0.000 0.819 287 A HN 0.332 nan 8.150 nan 0.000 0.442 288 E N -0.097 119.739 120.200 -0.607 0.000 2.051 288 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 288 E C 1.801 178.332 176.600 -0.114 0.000 0.991 288 E CA 1.536 57.716 56.400 -0.366 0.000 0.799 288 E CB -0.477 29.089 29.700 -0.225 0.000 0.748 288 E HN 0.392 nan 8.360 nan 0.000 0.449 289 L N 0.122 121.296 121.223 -0.081 0.000 2.046 289 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 289 L C 2.221 179.125 176.870 0.058 0.000 1.077 289 L CA 1.686 56.521 54.840 -0.008 0.000 0.747 289 L CB -0.483 41.558 42.059 -0.031 0.000 0.896 289 L HN 0.305 nan 8.230 nan 0.000 0.432 290 L N -1.004 120.274 121.223 0.091 0.000 2.056 290 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 290 L C 2.521 179.417 176.870 0.043 0.000 1.078 290 L CA 1.644 56.542 54.840 0.096 0.000 0.749 290 L CB -1.021 41.089 42.059 0.086 0.000 0.901 290 L HN 0.492 nan 8.230 nan 0.000 0.433 291 T N -3.251 111.315 114.554 0.021 0.000 2.777 291 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 291 T C 2.041 176.763 174.700 0.036 0.000 1.040 291 T CA 1.271 63.392 62.100 0.035 0.000 1.141 291 T CB -0.658 68.251 68.868 0.067 0.000 0.868 291 T HN 0.418 nan 8.240 nan 0.000 0.444 292 S N 1.782 117.500 115.700 0.031 0.000 2.442 292 S HA 0.055 4.525 4.470 -0.000 0.000 0.236 292 S C 1.823 176.437 174.600 0.023 0.000 1.007 292 S CA 0.614 58.831 58.200 0.027 0.000 0.965 292 S CB -0.916 62.296 63.200 0.020 0.000 0.773 292 S HN 0.549 nan 8.310 nan 0.000 0.504 293 L N 0.909 122.149 121.223 0.029 0.000 2.612 293 L HA 0.342 4.682 4.340 -0.000 0.000 0.230 293 L C 1.772 178.655 176.870 0.020 0.000 1.140 293 L CA 0.347 55.202 54.840 0.025 0.000 0.896 293 L CB -0.334 41.750 42.059 0.040 0.000 1.065 293 L HN 0.610 nan 8.230 nan 0.000 0.447 294 G N -0.195 108.618 108.800 0.022 0.000 2.157 294 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.239 294 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.239 294 G C 0.356 175.269 174.900 0.021 0.000 0.982 294 G CA -0.038 45.074 45.100 0.019 0.000 0.650 294 G HN 0.468 nan 8.290 nan 0.000 0.527 295 A N -0.007 122.827 122.820 0.023 0.000 2.371 295 A HA 0.547 4.867 4.320 -0.000 0.000 0.257 295 A C 0.322 177.916 177.584 0.016 0.000 1.089 295 A CA 0.375 52.422 52.037 0.017 0.000 0.794 295 A CB 0.496 19.502 19.000 0.011 0.000 1.029 295 A HN 0.405 nan 8.150 nan 0.000 0.488 296 D N 2.637 123.044 120.400 0.012 0.000 2.339 296 D HA 0.173 4.813 4.640 -0.000 0.000 0.256 296 D C -1.172 175.132 176.300 0.006 0.000 1.214 296 D CA -1.823 52.184 54.000 0.012 0.000 0.877 296 D CB 1.010 41.818 40.800 0.013 0.000 1.111 296 D HN 0.219 nan 8.370 nan 0.000 0.478 297 P HA -0.162 nan 4.420 nan 0.000 0.219 297 P C 0.798 178.100 177.300 0.003 0.000 1.146 297 P CA 0.785 63.896 63.100 0.019 0.000 0.808 297 P CB 0.181 31.906 31.700 0.042 0.000 0.779 298 A N -0.279 122.540 122.820 -0.001 0.000 2.206 298 A HA -0.003 4.317 4.320 -0.000 0.000 0.211 298 A C 1.963 179.521 177.584 -0.043 0.000 1.158 298 A CA 0.549 52.579 52.037 -0.013 0.000 0.761 298 A CB -0.564 18.434 19.000 -0.003 0.000 0.801 298 A HN 0.068 nan 8.150 nan 0.000 0.473 299 R N -0.750 119.722 120.500 -0.046 0.000 2.629 299 R HA 0.396 4.736 4.340 -0.000 0.000 0.386 299 R C -0.991 175.250 176.300 -0.098 0.000 1.071 299 R CA 0.053 56.103 56.100 -0.083 0.000 1.104 299 R CB 0.366 30.638 30.300 -0.046 0.000 1.370 299 R HN 0.392 nan 8.270 nan 0.000 0.574 300 I N 1.168 121.692 120.570 -0.077 0.000 2.433 300 I HA 0.379 4.549 4.170 -0.000 0.000 0.292 300 I C -0.325 175.757 176.117 -0.057 0.000 1.001 300 I CA -0.593 60.670 61.300 -0.062 0.000 1.119 300 I CB 2.158 40.139 38.000 -0.032 0.000 1.289 300 I HN -0.150 nan 8.210 nan 0.000 0.438 301 M N 7.150 126.724 119.600 -0.043 0.000 2.085 301 M HA 0.487 4.967 4.480 -0.000 0.000 0.309 301 M C -1.389 174.924 176.300 0.022 0.000 0.947 301 M CA -0.731 54.570 55.300 0.001 0.000 0.918 301 M CB 1.050 33.670 32.600 0.033 0.000 1.504 301 M HN 0.351 nan 8.290 nan 0.000 0.420 302 I N 4.564 125.141 120.570 0.012 0.000 2.337 302 I HA 0.323 4.493 4.170 -0.000 0.000 0.291 302 I C 0.948 177.064 176.117 -0.002 0.000 1.046 302 I CA 0.054 61.350 61.300 -0.007 0.000 1.324 302 I CB 0.146 38.124 38.000 -0.037 0.000 1.409 302 I HN 0.777 nan 8.210 nan 0.000 0.494 303 G N 4.457 113.237 108.800 -0.033 0.000 2.535 303 G HA2 0.345 4.305 3.960 -0.000 0.000 0.303 303 G HA3 0.345 4.305 3.960 -0.000 0.000 0.303 303 G C 0.104 174.955 174.900 -0.082 0.000 1.237 303 G CA -0.263 44.815 45.100 -0.037 0.000 0.986 303 G HN 0.785 nan 8.290 nan 0.000 0.494 304 H N -1.283 117.706 119.070 -0.135 0.000 2.776 304 H HA -0.129 4.427 4.556 -0.000 0.000 0.300 304 H C 1.731 176.931 175.328 -0.214 0.000 1.161 304 H CA 0.713 56.642 56.048 -0.198 0.000 1.147 304 H CB -1.511 28.087 29.762 -0.273 0.000 1.366 304 H HN 0.322 nan 8.280 nan 0.000 0.397 305 M N 0.317 119.845 119.600 -0.119 0.000 2.476 305 M HA -0.063 4.417 4.480 -0.000 0.000 0.262 305 M C 1.589 177.660 176.300 -0.381 0.000 1.079 305 M CA 1.408 56.577 55.300 -0.219 0.000 1.104 305 M CB -0.364 32.112 32.600 -0.206 0.000 1.409 305 M HN 0.382 nan 8.290 nan 0.000 0.467 306 D N -0.799 119.273 120.400 -0.548 0.000 2.350 306 D HA -0.072 4.568 4.640 -0.000 0.000 0.216 306 D C 1.754 177.944 176.300 -0.183 0.000 0.968 306 D CA 1.049 54.762 54.000 -0.479 0.000 0.894 306 D CB -1.085 39.573 40.800 -0.236 0.000 0.909 306 D HN 0.360 nan 8.370 nan 0.000 0.520 307 G N -0.106 108.589 108.800 -0.176 0.000 2.625 307 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.214 307 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.214 307 G C 0.479 175.269 174.900 -0.184 0.000 1.132 307 G CA -0.037 44.969 45.100 -0.158 0.000 0.782 307 G HN 0.420 nan 8.290 nan 0.000 0.538 308 N N -1.156 117.427 118.700 -0.195 0.000 2.269 308 N HA 0.389 5.129 4.740 -0.000 0.000 0.304 308 N C 0.820 176.355 175.510 0.041 0.000 1.072 308 N CA -0.226 52.677 53.050 -0.246 0.000 0.802 308 N CB 1.458 39.503 38.487 -0.736 0.000 1.348 308 N HN -0.089 nan 8.380 nan 0.000 0.484 309 T N -1.656 112.909 114.554 0.017 0.000 3.092 309 T HA 0.130 4.480 4.350 -0.000 0.000 0.258 309 T C -0.087 174.666 174.700 0.087 0.000 1.031 309 T CA -0.307 61.832 62.100 0.065 0.000 0.925 309 T CB -0.122 68.757 68.868 0.018 0.000 1.036 309 T HN 0.355 nan 8.240 nan 0.000 0.544 310 D N 2.908 123.387 120.400 0.130 0.000 2.359 310 D HA 0.261 4.901 4.640 -0.000 0.000 0.230 310 D C -1.411 175.061 176.300 0.288 0.000 1.118 310 D CA -2.594 51.491 54.000 0.142 0.000 0.844 310 D CB 2.122 42.982 40.800 0.100 0.000 1.059 310 D HN -0.010 nan 8.370 nan 0.000 0.493 311 P HA -0.146 nan 4.420 nan 0.000 0.221 311 P C 1.003 178.461 177.300 0.263 0.000 1.145 311 P CA 0.654 63.870 63.100 0.193 0.000 0.795 311 P CB 0.248 31.984 31.700 0.060 0.000 0.775 312 A N -0.740 122.205 122.820 0.209 0.000 1.969 312 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 312 A C 2.290 179.978 177.584 0.174 0.000 1.169 312 A CA 1.143 53.275 52.037 0.159 0.000 0.635 312 A CB -1.763 17.310 19.000 0.120 0.000 0.810 312 A HN 0.181 nan 8.150 nan 0.000 0.445 313 Y N 0.324 120.672 120.300 0.080 0.000 2.181 313 Y HA -0.263 4.287 4.550 -0.000 0.000 0.288 313 Y C 2.520 178.350 175.900 -0.117 0.000 1.146 313 Y CA 2.236 60.313 58.100 -0.039 0.000 1.164 313 Y CB -0.332 38.064 38.460 -0.108 0.000 0.982 313 Y HN 0.521 nan 8.280 nan 0.000 0.515 314 H N -0.339 118.775 119.070 0.072 0.000 2.357 314 H HA -0.080 4.476 4.556 -0.000 0.000 0.301 314 H C 2.331 177.556 175.328 -0.171 0.000 1.082 314 H CA 1.523 57.535 56.048 -0.061 0.000 1.342 314 H CB -0.136 29.651 29.762 0.041 0.000 1.389 314 H HN 0.364 nan 8.280 nan 0.000 0.511 315 R N 0.770 121.273 120.500 0.005 0.000 2.073 315 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 315 R C 2.423 178.687 176.300 -0.060 0.000 1.134 315 R CA 1.237 57.291 56.100 -0.076 0.000 0.952 315 R CB -0.146 30.179 30.300 0.042 0.000 0.850 315 R HN 0.448 nan 8.270 nan 0.000 0.433 316 E N -0.013 120.152 120.200 -0.059 0.000 2.077 316 E HA -0.172 4.177 4.350 -0.000 0.000 0.193 316 E C 1.409 177.974 176.600 -0.058 0.000 0.989 316 E CA 1.712 58.074 56.400 -0.063 0.000 0.800 316 E CB 0.137 29.798 29.700 -0.065 0.000 0.746 316 E HN 0.269 nan 8.360 nan 0.000 0.452 317 T N 1.476 115.937 114.554 -0.155 0.000 2.708 317 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 317 T C 1.920 176.634 174.700 0.022 0.000 1.037 317 T CA 1.167 63.213 62.100 -0.090 0.000 1.146 317 T CB -0.229 68.470 68.868 -0.281 0.000 0.865 317 T HN 0.161 nan 8.240 nan 0.000 0.435 318 L N 0.392 121.577 121.223 -0.063 0.000 2.191 318 L HA -0.047 4.293 4.340 -0.000 0.000 0.212 318 L C 2.895 179.775 176.870 0.016 0.000 1.103 318 L CA 1.001 55.814 54.840 -0.045 0.000 0.769 318 L CB -0.469 41.457 42.059 -0.222 0.000 0.908 318 L HN 0.144 nan 8.230 nan 0.000 0.438 319 R N -0.561 119.922 120.500 -0.028 0.000 2.139 319 R HA -0.181 4.159 4.340 -0.000 0.000 0.243 319 R C 1.971 178.159 176.300 -0.187 0.000 1.145 319 R CA 1.202 57.243 56.100 -0.098 0.000 0.976 319 R CB -0.348 29.845 30.300 -0.178 0.000 0.866 319 R HN 0.538 nan 8.270 nan 0.000 0.449 320 H N -1.242 117.821 119.070 -0.012 0.000 2.567 320 H HA 0.004 4.560 4.556 -0.000 0.000 0.276 320 H C 1.393 176.723 175.328 0.004 0.000 1.016 320 H CA 1.069 57.112 56.048 -0.007 0.000 1.186 320 H CB 0.356 30.107 29.762 -0.019 0.000 1.351 320 H HN 0.549 nan 8.280 nan 0.000 0.605 321 G N 0.765 109.614 108.800 0.080 0.000 2.176 321 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.253 321 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.253 321 G C 0.673 175.611 174.900 0.064 0.000 0.979 321 G CA 0.475 45.615 45.100 0.067 0.000 0.641 321 G HN 0.459 nan 8.290 nan 0.000 0.530 322 V N -1.397 118.561 119.914 0.073 0.000 3.170 322 V HA 0.874 4.994 4.120 -0.000 0.000 0.309 322 V C 0.723 176.837 176.094 0.033 0.000 1.071 322 V CA 0.101 62.425 62.300 0.040 0.000 1.063 322 V CB 1.528 33.368 31.823 0.029 0.000 1.123 322 V HN 0.465 nan 8.190 nan 0.000 0.464 323 S N 2.024 117.735 115.700 0.019 0.000 2.646 323 S HA 0.756 5.226 4.470 -0.000 0.000 0.276 323 S C -0.118 174.510 174.600 0.046 0.000 1.222 323 S CA -0.404 57.818 58.200 0.036 0.000 1.014 323 S CB 0.991 64.204 63.200 0.022 0.000 0.991 323 S HN 0.942 nan 8.310 nan 0.000 0.533 324 I N -1.049 119.573 120.570 0.087 0.000 2.785 324 I HA 0.951 5.121 4.170 -0.000 0.000 0.302 324 I C -0.725 175.507 176.117 0.192 0.000 1.069 324 I CA -1.346 60.018 61.300 0.106 0.000 1.045 324 I CB 1.988 40.053 38.000 0.109 0.000 1.236 324 I HN 0.584 nan 8.210 nan 0.000 0.429 325 A N 4.078 127.002 122.820 0.174 0.000 2.343 325 A HA 0.756 5.076 4.320 -0.000 0.000 0.316 325 A C -1.425 176.290 177.584 0.219 0.000 1.104 325 A CA -0.348 51.834 52.037 0.240 0.000 0.768 325 A CB 0.830 19.951 19.000 0.202 0.000 1.213 325 A HN 0.590 nan 8.150 nan 0.000 0.456 326 F N 2.558 122.550 119.950 0.070 0.000 2.351 326 F HA 0.251 4.778 4.527 -0.000 0.000 0.362 326 F C 0.424 176.237 175.800 0.021 0.000 1.131 326 F CA -0.564 57.467 58.000 0.053 0.000 1.187 326 F CB 1.173 40.191 39.000 0.030 0.000 1.434 326 F HN 0.676 nan 8.300 nan 0.000 0.553 327 D N 0.562 121.024 120.400 0.102 0.000 2.479 327 D HA 0.247 4.887 4.640 -0.000 0.000 0.218 327 D C 0.745 177.040 176.300 -0.008 0.000 1.177 327 D CA -0.016 54.016 54.000 0.053 0.000 0.830 327 D CB 0.304 41.141 40.800 0.061 0.000 1.014 327 D HN 0.256 nan 8.370 nan 0.000 0.503 328 A N 0.706 123.518 122.820 -0.013 0.000 2.705 328 A HA 0.366 4.686 4.320 -0.000 0.000 0.294 328 A C 0.214 177.858 177.584 0.101 0.000 1.039 328 A CA -0.568 51.471 52.037 0.003 0.000 1.005 328 A CB -0.471 18.416 19.000 -0.188 0.000 1.192 328 A HN 0.219 nan 8.150 nan 0.000 0.513 329 I N 0.461 121.124 120.570 0.154 0.000 2.683 329 I HA 0.276 4.446 4.170 -0.000 0.000 0.286 329 I C 1.522 177.894 176.117 0.425 0.000 1.175 329 I CA 1.658 63.082 61.300 0.207 0.000 1.429 329 I CB 0.618 38.668 38.000 0.083 0.000 1.371 329 I HN 0.572 nan 8.210 nan 0.000 0.569 330 G N 5.117 114.149 108.800 0.388 0.000 2.232 330 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.226 330 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.226 330 G C -0.206 174.787 174.900 0.154 0.000 0.996 330 G CA -0.501 44.777 45.100 0.297 0.000 0.626 330 G HN 0.469 nan 8.290 nan 0.000 0.509 331 L N 2.376 123.612 121.223 0.020 0.000 2.259 331 L HA 0.672 5.012 4.340 -0.000 0.000 0.288 331 L C 0.063 176.849 176.870 -0.141 0.000 1.051 331 L CA -0.395 54.285 54.840 -0.266 0.000 0.824 331 L CB 0.752 42.394 42.059 -0.694 0.000 1.206 331 L HN 0.335 nan 8.230 nan 0.000 0.429 332 Q N 4.050 123.798 119.800 -0.086 0.000 2.331 332 Q HA 0.555 4.895 4.340 -0.000 0.000 0.267 332 Q C 0.776 176.746 176.000 -0.049 0.000 1.006 332 Q CA -0.332 55.444 55.803 -0.046 0.000 0.818 332 Q CB 1.792 30.529 28.738 -0.001 0.000 1.276 332 Q HN 0.902 nan 8.270 nan 0.000 0.450 333 G N 2.298 111.070 108.800 -0.047 0.000 2.225 333 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 333 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 333 G C -0.238 174.632 174.900 -0.050 0.000 1.024 333 G CA 0.770 45.846 45.100 -0.040 0.000 0.784 333 G HN 0.502 nan 8.290 nan 0.000 0.507 334 M N -0.097 119.455 119.600 -0.080 0.000 2.243 334 M HA 0.627 5.107 4.480 -0.000 0.000 0.324 334 M C 0.898 177.147 176.300 -0.085 0.000 1.031 334 M CA -0.258 54.990 55.300 -0.087 0.000 0.949 334 M CB 1.886 34.401 32.600 -0.141 0.000 1.615 334 M HN 0.804 nan 8.290 nan 0.000 0.430 335 V N 4.764 124.647 119.914 -0.050 0.000 5.117 335 V HA -0.245 3.875 4.120 -0.000 0.000 0.285 335 V C 1.097 177.165 176.094 -0.044 0.000 0.490 335 V CA 1.433 63.713 62.300 -0.032 0.000 0.728 335 V CB -2.685 29.124 31.823 -0.022 0.000 0.597 335 V HN 1.476 nan 8.190 nan 0.000 1.265 336 G N -0.186 108.588 108.800 -0.045 0.000 2.180 336 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.263 336 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.263 336 G C 0.397 175.260 174.900 -0.061 0.000 0.989 336 G CA 1.017 46.089 45.100 -0.047 0.000 0.692 336 G HN 1.980 nan 8.290 nan 0.000 0.526 337 T N 0.091 114.598 114.554 -0.078 0.000 2.903 337 T HA 0.496 4.846 4.350 -0.000 0.000 0.314 337 T C -1.169 173.494 174.700 -0.062 0.000 1.078 337 T CA -0.335 61.711 62.100 -0.090 0.000 1.114 337 T CB 2.030 70.822 68.868 -0.125 0.000 0.987 337 T HN 0.315 nan 8.240 nan 0.000 0.548 338 P HA 0.237 nan 4.420 nan 0.000 0.289 338 P C 0.248 177.543 177.300 -0.007 0.000 1.299 338 P CA -0.482 62.604 63.100 -0.023 0.000 0.766 338 P CB 0.352 32.045 31.700 -0.013 0.000 1.226 339 T N -3.323 111.238 114.554 0.010 0.000 2.847 339 T HA 0.175 4.525 4.350 -0.000 0.000 0.279 339 T C 0.918 175.650 174.700 0.054 0.000 0.984 339 T CA -0.290 61.827 62.100 0.028 0.000 0.988 339 T CB 0.018 68.903 68.868 0.028 0.000 1.040 339 T HN 0.165 nan 8.240 nan 0.000 0.528 340 D N 0.676 121.124 120.400 0.079 0.000 2.144 340 D HA -0.009 4.631 4.640 -0.000 0.000 0.199 340 D C 2.325 178.674 176.300 0.081 0.000 0.984 340 D CA 1.533 55.599 54.000 0.110 0.000 0.834 340 D CB -0.715 40.187 40.800 0.169 0.000 0.955 340 D HN 0.737 nan 8.370 nan 0.000 0.465 341 A N 0.925 123.783 122.820 0.063 0.000 1.908 341 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 341 A C 2.083 179.692 177.584 0.043 0.000 1.181 341 A CA 1.645 53.710 52.037 0.046 0.000 0.627 341 A CB -0.545 18.477 19.000 0.037 0.000 0.818 341 A HN 0.224 nan 8.150 nan 0.000 0.445 342 E N -0.539 119.688 120.200 0.045 0.000 2.051 342 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 342 E C 2.356 178.999 176.600 0.071 0.000 0.991 342 E CA 1.245 57.672 56.400 0.044 0.000 0.799 342 E CB -0.189 29.532 29.700 0.034 0.000 0.748 342 E HN 0.556 nan 8.360 nan 0.000 0.449 343 R N 0.517 121.080 120.500 0.105 0.000 2.083 343 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 343 R C 2.479 178.858 176.300 0.131 0.000 1.137 343 R CA 1.178 57.398 56.100 0.200 0.000 0.951 343 R CB -0.460 29.985 30.300 0.242 0.000 0.851 343 R HN 0.198 nan 8.270 nan 0.000 0.434 344 L N 0.272 121.526 121.223 0.052 0.000 2.201 344 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 344 L C 2.672 179.526 176.870 -0.027 0.000 1.105 344 L CA 0.848 55.676 54.840 -0.020 0.000 0.775 344 L CB -0.409 41.642 42.059 -0.013 0.000 0.913 344 L HN 0.246 nan 8.230 nan 0.000 0.440 345 S N -0.138 115.565 115.700 0.005 0.000 2.356 345 S HA -0.146 4.324 4.470 -0.000 0.000 0.223 345 S C 1.984 176.578 174.600 -0.011 0.000 1.032 345 S CA 1.343 59.543 58.200 0.000 0.000 1.005 345 S CB -0.099 63.109 63.200 0.013 0.000 0.867 345 S HN 0.172 nan 8.310 nan 0.000 0.449 346 V N 1.815 121.733 119.914 0.006 0.000 2.343 346 V HA -0.115 4.005 4.120 -0.000 0.000 0.247 346 V C 2.457 178.505 176.094 -0.077 0.000 1.051 346 V CA 1.847 64.132 62.300 -0.024 0.000 1.036 346 V CB -0.707 31.104 31.823 -0.020 0.000 0.654 346 V HN 0.486 nan 8.190 nan 0.000 0.451 347 L N 0.706 121.830 121.223 -0.165 0.000 2.017 347 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 347 L C 2.766 179.517 176.870 -0.198 0.000 1.073 347 L CA 2.762 57.366 54.840 -0.394 0.000 0.745 347 L CB -0.784 40.917 42.059 -0.596 0.000 0.894 347 L HN 0.611 nan 8.230 nan 0.000 0.432 348 T N -5.554 108.929 114.554 -0.119 0.000 2.915 348 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 348 T C 1.774 176.455 174.700 -0.031 0.000 1.071 348 T CA 1.514 63.574 62.100 -0.068 0.000 1.132 348 T CB -0.919 67.921 68.868 -0.046 0.000 0.878 348 T HN 0.316 nan 8.240 nan 0.000 0.479 349 T N 2.403 116.945 114.554 -0.020 0.000 2.746 349 T HA 0.110 4.460 4.350 -0.000 0.000 0.267 349 T C 1.838 176.575 174.700 0.061 0.000 1.039 349 T CA 1.227 63.337 62.100 0.017 0.000 1.142 349 T CB -0.455 68.425 68.868 0.020 0.000 0.866 349 T HN 0.342 nan 8.240 nan 0.000 0.444 350 L N 0.229 121.490 121.223 0.062 0.000 2.093 350 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 350 L C 2.439 179.422 176.870 0.187 0.000 1.085 350 L CA 0.903 55.861 54.840 0.196 0.000 0.755 350 L CB -0.574 41.542 42.059 0.095 0.000 0.904 350 L HN 0.232 nan 8.230 nan 0.000 0.435 351 L N -0.192 121.060 121.223 0.048 0.000 2.093 351 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 351 L C 2.622 179.501 176.870 0.015 0.000 1.085 351 L CA 1.323 56.177 54.840 0.023 0.000 0.755 351 L CB -0.930 41.111 42.059 -0.029 0.000 0.904 351 L HN 0.302 nan 8.230 nan 0.000 0.435 352 G N -0.723 108.084 108.800 0.013 0.000 2.470 352 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 352 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 352 G C 1.210 176.103 174.900 -0.012 0.000 1.121 352 G CA 0.292 45.392 45.100 -0.001 0.000 0.766 352 G HN 0.429 nan 8.290 nan 0.000 0.553 353 E N -0.275 119.928 120.200 0.004 0.000 2.403 353 E HA 0.324 4.674 4.350 -0.000 0.000 0.188 353 E C 1.498 177.925 176.600 -0.289 0.000 1.056 353 E CA 0.099 56.448 56.400 -0.085 0.000 0.892 353 E CB 0.118 29.838 29.700 0.034 0.000 1.049 353 E HN 0.334 nan 8.360 nan 0.000 0.465 354 G N 0.944 109.639 108.800 -0.175 0.000 2.136 354 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.242 354 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.242 354 G C 0.242 175.019 174.900 -0.206 0.000 0.989 354 G CA 0.009 44.989 45.100 -0.201 0.000 0.682 354 G HN 0.360 nan 8.290 nan 0.000 0.522 355 Y N 0.264 120.565 120.300 0.001 0.000 2.462 355 Y HA 0.449 4.999 4.550 -0.000 0.000 0.293 355 Y C 2.620 178.524 175.900 0.006 0.000 1.195 355 Y CA 0.726 58.833 58.100 0.011 0.000 1.276 355 Y CB -0.224 38.253 38.460 0.029 0.000 1.082 355 Y HN 0.409 nan 8.280 nan 0.000 0.514 356 A N 0.166 123.051 122.820 0.109 0.000 1.958 356 A HA -0.250 4.070 4.320 -0.000 0.000 0.221 356 A C 1.902 179.524 177.584 0.064 0.000 1.178 356 A CA 2.256 54.330 52.037 0.062 0.000 0.642 356 A CB -0.466 18.548 19.000 0.024 0.000 0.816 356 A HN 0.378 nan 8.150 nan 0.000 0.453 357 D N -1.118 119.323 120.400 0.068 0.000 2.371 357 D HA -0.050 4.590 4.640 -0.000 0.000 0.221 357 D C 1.172 177.515 176.300 0.072 0.000 0.986 357 D CA 0.558 54.593 54.000 0.058 0.000 0.899 357 D CB -0.021 40.806 40.800 0.045 0.000 0.902 357 D HN 0.341 nan 8.370 nan 0.000 0.530 358 R N -0.065 120.497 120.500 0.103 0.000 2.535 358 R HA 0.276 4.616 4.340 -0.000 0.000 0.323 358 R C 0.186 176.548 176.300 0.104 0.000 0.979 358 R CA -0.134 56.026 56.100 0.099 0.000 1.120 358 R CB 0.813 31.187 30.300 0.123 0.000 1.306 358 R HN 0.125 nan 8.270 nan 0.000 0.540 359 L N 1.765 123.047 121.223 0.098 0.000 2.296 359 L HA 0.500 4.840 4.340 -0.000 0.000 0.286 359 L C -0.513 176.412 176.870 0.091 0.000 1.023 359 L CA -0.811 54.089 54.840 0.100 0.000 0.812 359 L CB 1.205 43.278 42.059 0.023 0.000 1.223 359 L HN -0.262 nan 8.230 nan 0.000 0.421 360 L N 4.183 125.492 121.223 0.144 0.000 2.319 360 L HA 0.648 4.988 4.340 -0.000 0.000 0.267 360 L C -0.549 176.407 176.870 0.143 0.000 1.011 360 L CA -0.275 54.646 54.840 0.134 0.000 0.818 360 L CB 2.112 44.272 42.059 0.168 0.000 1.316 360 L HN 0.396 nan 8.230 nan 0.000 0.432 361 L N 0.649 121.924 121.223 0.087 0.000 2.385 361 L HA 0.801 5.141 4.340 -0.000 0.000 0.273 361 L C -0.325 176.532 176.870 -0.021 0.000 0.990 361 L CA -0.163 54.699 54.840 0.037 0.000 0.821 361 L CB 1.885 43.919 42.059 -0.042 0.000 1.279 361 L HN 0.585 nan 8.230 nan 0.000 0.412 362 S N -0.916 114.752 115.700 -0.054 0.000 2.672 362 S HA 0.488 4.958 4.470 -0.000 0.000 0.271 362 S C -0.221 174.265 174.600 -0.190 0.000 1.171 362 S CA -0.551 57.564 58.200 -0.142 0.000 0.817 362 S CB 1.303 64.553 63.200 0.083 0.000 1.150 362 S HN 0.738 nan 8.310 nan 0.000 0.478 363 H N 0.348 119.525 119.070 0.179 0.000 2.885 363 H HA 0.227 4.783 4.556 -0.000 0.000 0.260 363 H C -0.231 175.298 175.328 0.334 0.000 0.985 363 H CA 0.456 56.651 56.048 0.246 0.000 1.210 363 H CB 0.224 30.119 29.762 0.223 0.000 1.466 363 H HN 0.701 nan 8.280 nan 0.000 0.493 364 D N 2.277 122.911 120.400 0.389 0.000 2.772 364 D HA -0.153 4.487 4.640 -0.000 0.000 0.233 364 D C 0.016 176.621 176.300 0.508 0.000 1.143 364 D CA 0.775 55.023 54.000 0.413 0.000 0.700 364 D CB -1.013 39.922 40.800 0.226 0.000 1.076 364 D HN 0.492 nan 8.370 nan 0.000 0.430 365 S N -0.726 115.140 115.700 0.277 0.000 2.603 365 S HA 0.586 5.056 4.470 -0.000 0.000 0.268 365 S C 0.525 175.032 174.600 -0.155 0.000 1.317 365 S CA -0.725 57.365 58.200 -0.183 0.000 1.012 365 S CB 1.566 64.687 63.200 -0.131 0.000 0.926 365 S HN 0.285 nan 8.310 nan 0.000 0.539 366 I N 2.209 122.504 120.570 -0.459 0.000 2.411 366 I HA 0.246 4.416 4.170 -0.000 0.000 0.284 366 I C -0.122 175.915 176.117 -0.134 0.000 1.012 366 I CA -0.677 60.353 61.300 -0.450 0.000 1.119 366 I CB 1.262 38.618 38.000 -1.073 0.000 1.261 366 I HN 0.802 nan 8.210 nan 0.000 0.448 367 W N 3.173 124.337 121.300 -0.226 0.000 2.518 367 W HA 0.013 4.673 4.660 -0.000 0.000 0.273 367 W C 0.890 177.415 176.519 0.010 0.000 1.247 367 W CA 0.104 57.390 57.345 -0.098 0.000 1.288 367 W CB -0.690 28.762 29.460 -0.012 0.000 1.107 367 W HN 0.475 nan 8.180 nan 0.000 0.586 368 H N -2.683 116.420 119.070 0.055 0.000 3.149 368 H HA 0.220 4.776 4.556 -0.000 0.000 0.334 368 H C -1.303 174.015 175.328 -0.017 0.000 1.000 368 H CA -1.157 54.933 56.048 0.071 0.000 1.415 368 H CB 0.367 30.201 29.762 0.120 0.000 1.819 368 H HN -0.227 nan 8.280 nan 0.000 0.486 369 W N 5.848 127.025 121.300 -0.205 0.000 2.216 369 W HA 0.298 4.958 4.660 -0.000 0.000 0.326 369 W C -0.243 176.199 176.519 -0.129 0.000 1.319 369 W CA -0.382 56.880 57.345 -0.140 0.000 1.213 369 W CB 0.583 29.971 29.460 -0.119 0.000 1.171 369 W HN 0.353 nan 8.180 nan 0.000 0.557 370 L N 3.701 124.955 121.223 0.052 0.000 2.399 370 L HA 0.750 5.090 4.340 -0.000 0.000 0.266 370 L C 1.093 177.978 176.870 0.024 0.000 1.114 370 L CA -0.129 54.632 54.840 -0.131 0.000 0.804 370 L CB 0.485 42.057 42.059 -0.811 0.000 1.146 370 L HN 0.775 nan 8.230 nan 0.000 0.451 371 G N 1.859 110.748 108.800 0.149 0.000 2.587 371 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.212 371 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.212 371 G C -0.555 174.425 174.900 0.133 0.000 1.327 371 G CA -0.732 44.495 45.100 0.211 0.000 0.898 371 G HN 0.589 nan 8.290 nan 0.000 0.551 372 R N 1.504 122.059 120.500 0.091 0.000 2.490 372 R HA 0.397 4.737 4.340 -0.000 0.000 0.280 372 R C -1.782 174.510 176.300 -0.013 0.000 1.077 372 R CA -0.709 55.414 56.100 0.038 0.000 1.065 372 R CB 0.499 30.811 30.300 0.021 0.000 1.003 372 R HN 0.504 nan 8.270 nan 0.000 0.470 373 P HA 0.033 nan 4.420 nan 0.000 0.264 373 P C -2.366 174.825 177.300 -0.182 0.000 1.193 373 P CA -0.913 62.123 63.100 -0.107 0.000 0.763 373 P CB 0.079 31.734 31.700 -0.076 0.000 0.810 374 P HA 0.158 nan 4.420 nan 0.000 0.271 374 P C -0.670 176.506 177.300 -0.207 0.000 1.216 374 P CA -0.181 62.702 63.100 -0.361 0.000 0.771 374 P CB 0.619 31.895 31.700 -0.706 0.000 0.864 375 A N 4.459 127.200 122.820 -0.133 0.000 2.260 375 A HA 0.435 4.755 4.320 -0.000 0.000 0.312 375 A C 0.235 177.782 177.584 -0.061 0.000 1.321 375 A CA -0.728 51.263 52.037 -0.077 0.000 0.928 375 A CB -0.469 18.500 19.000 -0.052 0.000 1.158 375 A HN 0.494 nan 8.150 nan 0.000 0.542 376 I N 5.435 125.982 120.570 -0.039 0.000 2.337 376 I HA 0.213 4.383 4.170 -0.000 0.000 0.291 376 I C -1.574 174.541 176.117 -0.003 0.000 1.046 376 I CA -1.432 59.862 61.300 -0.011 0.000 1.324 376 I CB 0.817 38.832 38.000 0.024 0.000 1.409 376 I HN 0.495 nan 8.210 nan 0.000 0.494 377 P HA 0.003 nan 4.420 nan 0.000 0.267 377 P C 0.631 177.934 177.300 0.005 0.000 1.200 377 P CA -0.146 62.953 63.100 -0.002 0.000 0.772 377 P CB 0.808 32.506 31.700 -0.003 0.000 0.855 378 E N 2.027 122.229 120.200 0.003 0.000 2.095 378 E HA -0.294 4.056 4.350 -0.000 0.000 0.212 378 E C 1.939 178.544 176.600 0.009 0.000 1.044 378 E CA 2.420 58.824 56.400 0.006 0.000 0.857 378 E CB -0.948 28.753 29.700 0.003 0.000 0.764 378 E HN 0.629 nan 8.360 nan 0.000 0.462 379 A N 1.093 123.916 122.820 0.006 0.000 1.986 379 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 379 A C 2.323 179.913 177.584 0.009 0.000 1.171 379 A CA 2.323 54.364 52.037 0.006 0.000 0.640 379 A CB -0.470 18.531 19.000 0.003 0.000 0.811 379 A HN 0.302 nan 8.150 nan 0.000 0.451 380 A N -0.961 121.866 122.820 0.012 0.000 2.123 380 A HA 0.237 4.557 4.320 -0.000 0.000 0.214 380 A C 1.791 179.395 177.584 0.033 0.000 1.152 380 A CA 0.801 52.849 52.037 0.018 0.000 0.728 380 A CB -0.312 18.699 19.000 0.018 0.000 0.814 380 A HN 0.345 nan 8.150 nan 0.000 0.464 381 L N 0.507 121.751 121.223 0.035 0.000 2.010 381 L HA -0.181 4.159 4.340 -0.000 0.000 0.219 381 L C -0.221 176.681 176.870 0.052 0.000 1.077 381 L CA 2.654 57.522 54.840 0.047 0.000 0.773 381 L CB -2.463 39.616 42.059 0.033 0.000 0.892 381 L HN 0.272 nan 8.230 nan 0.000 0.436 382 P HA -0.154 nan 4.420 nan 0.000 0.215 382 P C 1.567 178.889 177.300 0.036 0.000 1.153 382 P CA 1.995 65.115 63.100 0.033 0.000 0.853 382 P CB -0.071 31.641 31.700 0.021 0.000 0.788 383 A N 0.193 123.029 122.820 0.025 0.000 1.986 383 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 383 A C 2.137 179.743 177.584 0.036 0.000 1.171 383 A CA 2.435 54.475 52.037 0.005 0.000 0.640 383 A CB -1.472 17.515 19.000 -0.022 0.000 0.811 383 A HN 0.258 nan 8.150 nan 0.000 0.451 384 V N -3.567 116.412 119.914 0.109 0.000 3.578 384 V HA 0.230 4.350 4.120 -0.000 0.000 0.290 384 V C 1.749 178.002 176.094 0.266 0.000 1.376 384 V CA 1.061 63.520 62.300 0.265 0.000 1.083 384 V CB -0.112 31.941 31.823 0.383 0.000 0.911 384 V HN 0.317 nan 8.190 nan 0.000 0.433 385 K N 2.067 122.555 120.400 0.147 0.000 2.032 385 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 385 K C 1.400 178.079 176.600 0.130 0.000 1.048 385 K CA 2.450 58.803 56.287 0.111 0.000 0.927 385 K CB -0.429 32.106 32.500 0.058 0.000 0.712 385 K HN 0.503 nan 8.250 nan 0.000 0.441 386 D N -1.170 119.254 120.400 0.040 0.000 2.328 386 D HA -0.026 4.614 4.640 -0.000 0.000 0.221 386 D C -0.475 175.758 176.300 -0.112 0.000 1.072 386 D CA 0.036 53.920 54.000 -0.192 0.000 0.850 386 D CB -0.220 40.150 40.800 -0.717 0.000 0.922 386 D HN 0.293 nan 8.370 nan 0.000 0.516 387 W N 4.656 125.936 121.300 -0.034 0.000 1.438 387 W HA 0.062 4.721 4.660 -0.000 0.000 0.455 387 W C 0.028 176.589 176.519 0.070 0.000 0.656 387 W CA -0.337 57.023 57.345 0.026 0.000 2.049 387 W CB -1.078 28.431 29.460 0.082 0.000 1.683 387 W HN 0.075 nan 8.180 nan 0.000 0.228 388 H N 1.438 120.439 119.070 -0.115 0.000 3.008 388 H HA 0.349 4.905 4.556 -0.000 0.000 0.354 388 H C -2.413 172.609 175.328 -0.510 0.000 1.252 388 H CA -1.920 53.942 56.048 -0.311 0.000 1.117 388 H CB 1.294 30.920 29.762 -0.227 0.000 1.857 388 H HN -0.118 nan 8.280 nan 0.000 0.547 389 P HA 0.038 nan 4.420 nan 0.000 0.239 389 P C 0.734 177.778 177.300 -0.427 0.000 1.184 389 P CA 0.394 63.087 63.100 -0.678 0.000 0.760 389 P CB 0.231 31.773 31.700 -0.263 0.000 0.884 390 L N -2.162 118.976 121.223 -0.143 0.000 2.693 390 L HA 0.190 4.530 4.340 -0.000 0.000 0.235 390 L C 2.446 179.364 176.870 0.081 0.000 1.127 390 L CA -0.100 54.769 54.840 0.049 0.000 0.914 390 L CB -0.878 41.272 42.059 0.153 0.000 1.193 390 L HN -0.013 nan 8.230 nan 0.000 0.502 391 H N 1.404 120.274 119.070 -0.333 0.000 2.353 391 H HA -0.113 4.443 4.556 -0.000 0.000 0.300 391 H C 2.044 177.448 175.328 0.127 0.000 1.090 391 H CA 1.864 57.819 56.048 -0.154 0.000 1.327 391 H CB 0.088 29.643 29.762 -0.346 0.000 1.383 391 H HN 0.218 nan 8.280 nan 0.000 0.508 392 I N -0.501 120.201 120.570 0.221 0.000 2.202 392 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 392 I C 2.455 178.571 176.117 -0.002 0.000 1.091 392 I CA 1.390 62.666 61.300 -0.039 0.000 1.368 392 I CB -0.275 37.675 38.000 -0.084 0.000 1.058 392 I HN 0.196 nan 8.210 nan 0.000 0.410 393 S N 0.360 116.102 115.700 0.070 0.000 2.382 393 S HA -0.186 4.284 4.470 -0.000 0.000 0.228 393 S C 1.482 176.107 174.600 0.041 0.000 1.027 393 S CA 1.500 59.729 58.200 0.047 0.000 0.991 393 S CB -0.260 62.974 63.200 0.057 0.000 0.823 393 S HN 0.441 nan 8.310 nan 0.000 0.469 394 D N 0.478 120.919 120.400 0.069 0.000 2.301 394 D HA 0.061 4.701 4.640 -0.000 0.000 0.206 394 D C 1.075 177.420 176.300 0.074 0.000 0.979 394 D CA 0.740 54.786 54.000 0.077 0.000 0.874 394 D CB -0.051 40.818 40.800 0.115 0.000 0.968 394 D HN 0.365 nan 8.370 nan 0.000 0.510 395 D N -0.488 119.951 120.400 0.065 0.000 2.626 395 D HA 0.064 4.704 4.640 -0.000 0.000 0.274 395 D C 2.120 178.407 176.300 -0.022 0.000 1.045 395 D CA -0.124 53.914 54.000 0.064 0.000 0.925 395 D CB 0.792 41.722 40.800 0.217 0.000 1.260 395 D HN 0.047 nan 8.370 nan 0.000 0.490 396 I N 1.705 122.198 120.570 -0.129 0.000 2.235 396 I HA -0.083 4.087 4.170 -0.000 0.000 0.241 396 I C 2.663 178.735 176.117 -0.074 0.000 1.085 396 I CA 0.705 61.924 61.300 -0.134 0.000 1.378 396 I CB -0.950 36.914 38.000 -0.227 0.000 1.076 396 I HN -0.033 nan 8.210 nan 0.000 0.415 397 L N 0.859 122.047 121.223 -0.058 0.000 1.989 397 L HA -0.175 4.165 4.340 -0.000 0.000 0.211 397 L C -0.055 176.801 176.870 -0.023 0.000 1.071 397 L CA 1.898 56.716 54.840 -0.037 0.000 0.749 397 L CB -2.377 39.669 42.059 -0.022 0.000 0.890 397 L HN 0.167 nan 8.230 nan 0.000 0.431 398 P HA -0.164 nan 4.420 nan 0.000 0.216 398 P C 1.064 178.361 177.300 -0.004 0.000 1.150 398 P CA 1.414 64.513 63.100 -0.002 0.000 0.837 398 P CB 0.041 31.747 31.700 0.010 0.000 0.786 399 D N -0.833 119.563 120.400 -0.007 0.000 2.097 399 D HA -0.116 4.524 4.640 -0.000 0.000 0.195 399 D C 1.912 178.202 176.300 -0.017 0.000 0.989 399 D CA 1.066 55.062 54.000 -0.006 0.000 0.827 399 D CB -0.696 40.102 40.800 -0.003 0.000 0.966 399 D HN 0.032 nan 8.370 nan 0.000 0.456 400 L N 0.139 121.344 121.223 -0.031 0.000 2.012 400 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 400 L C 2.722 179.576 176.870 -0.026 0.000 1.073 400 L CA 1.017 55.835 54.840 -0.038 0.000 0.748 400 L CB -0.444 41.583 42.059 -0.052 0.000 0.891 400 L HN -0.005 nan 8.230 nan 0.000 0.431 401 R N 0.733 121.220 120.500 -0.020 0.000 2.096 401 R HA -0.193 4.147 4.340 -0.000 0.000 0.240 401 R C 2.226 178.520 176.300 -0.010 0.000 1.139 401 R CA 1.952 58.044 56.100 -0.014 0.000 0.952 401 R CB -0.912 29.383 30.300 -0.009 0.000 0.854 401 R HN 0.546 nan 8.270 nan 0.000 0.436 402 R N 0.365 120.861 120.500 -0.007 0.000 2.237 402 R HA 0.023 4.363 4.340 -0.000 0.000 0.219 402 R C 1.480 177.777 176.300 -0.005 0.000 1.080 402 R CA 1.072 57.169 56.100 -0.004 0.000 0.995 402 R CB -0.214 30.087 30.300 0.001 0.000 0.875 402 R HN 0.060 nan 8.270 nan 0.000 0.462 403 R N 0.135 120.630 120.500 -0.009 0.000 2.320 403 R HA 0.132 4.472 4.340 -0.000 0.000 0.211 403 R C 0.490 176.783 176.300 -0.012 0.000 0.931 403 R CA 0.543 56.637 56.100 -0.010 0.000 1.071 403 R CB 0.713 31.004 30.300 -0.014 0.000 1.025 403 R HN 0.602 nan 8.270 nan 0.000 0.495 404 G N 0.371 109.164 108.800 -0.012 0.000 2.179 404 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.220 404 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.220 404 G C 0.105 174.996 174.900 -0.015 0.000 0.990 404 G CA -0.610 44.483 45.100 -0.012 0.000 0.646 404 G HN 0.083 nan 8.290 nan 0.000 0.517 405 I N 2.669 123.228 120.570 -0.020 0.000 2.634 405 I HA 0.334 4.504 4.170 -0.000 0.000 0.284 405 I C 1.545 177.651 176.117 -0.018 0.000 1.124 405 I CA 0.387 61.673 61.300 -0.023 0.000 1.417 405 I CB 0.513 38.493 38.000 -0.033 0.000 1.396 405 I HN 0.378 nan 8.210 nan 0.000 0.571 406 T N 1.384 115.928 114.554 -0.016 0.000 2.874 406 T HA 0.206 4.556 4.350 -0.000 0.000 0.281 406 T C 1.024 175.718 174.700 -0.010 0.000 0.994 406 T CA -0.585 61.508 62.100 -0.011 0.000 1.015 406 T CB 1.544 70.406 68.868 -0.010 0.000 1.028 406 T HN 0.690 nan 8.240 nan 0.000 0.523 407 E N 0.212 120.408 120.200 -0.007 0.000 2.118 407 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 407 E C 1.922 178.520 176.600 -0.003 0.000 0.992 407 E CA 1.578 57.976 56.400 -0.005 0.000 0.804 407 E CB -0.060 29.639 29.700 -0.002 0.000 0.741 407 E HN 0.905 nan 8.360 nan 0.000 0.458 408 E N 0.161 120.359 120.200 -0.003 0.000 2.077 408 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 408 E C 2.091 178.690 176.600 -0.002 0.000 0.989 408 E CA 1.344 57.743 56.400 -0.002 0.000 0.800 408 E CB 0.020 29.719 29.700 -0.003 0.000 0.746 408 E HN 0.346 nan 8.360 nan 0.000 0.452 409 Q N -0.005 119.792 119.800 -0.006 0.000 2.079 409 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 409 Q C 2.360 178.356 176.000 -0.008 0.000 0.974 409 Q CA 1.591 57.390 55.803 -0.007 0.000 0.840 409 Q CB 0.088 28.818 28.738 -0.014 0.000 0.898 409 Q HN 0.205 nan 8.270 nan 0.000 0.430 410 V N 0.493 120.400 119.914 -0.011 0.000 2.407 410 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 410 V C 2.151 178.245 176.094 0.000 0.000 1.055 410 V CA 1.976 64.269 62.300 -0.011 0.000 1.049 410 V CB -1.041 30.775 31.823 -0.012 0.000 0.662 410 V HN 0.553 nan 8.190 nan 0.000 0.455 411 G N -1.198 107.604 108.800 0.004 0.000 2.408 411 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 411 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 411 G C 1.505 176.417 174.900 0.019 0.000 1.150 411 G CA 0.891 45.998 45.100 0.012 0.000 0.776 411 G HN 0.475 nan 8.290 nan 0.000 0.542 412 Q N 0.304 120.114 119.800 0.016 0.000 2.020 412 Q HA 0.040 4.380 4.340 -0.000 0.000 0.202 412 Q C 2.571 178.589 176.000 0.031 0.000 0.982 412 Q CA 1.462 57.278 55.803 0.022 0.000 0.838 412 Q CB -0.398 28.350 28.738 0.017 0.000 0.899 412 Q HN 0.503 nan 8.270 nan 0.000 0.423 413 M N -0.620 118.994 119.600 0.023 0.000 2.117 413 M HA -0.136 4.344 4.480 -0.000 0.000 0.262 413 M C 1.929 178.256 176.300 0.045 0.000 1.065 413 M CA 2.117 57.435 55.300 0.029 0.000 1.114 413 M CB -0.353 32.248 32.600 0.002 0.000 1.361 413 M HN 0.414 nan 8.290 nan 0.000 0.408 414 T N -3.880 110.695 114.554 0.036 0.000 3.037 414 T HA 0.164 4.514 4.350 -0.000 0.000 0.251 414 T C 1.347 176.081 174.700 0.057 0.000 1.079 414 T CA 0.217 62.344 62.100 0.045 0.000 1.067 414 T CB 0.101 68.986 68.868 0.028 0.000 0.948 414 T HN 0.173 nan 8.240 nan 0.000 0.496 415 V N 0.497 120.442 119.914 0.052 0.000 3.029 415 V HA 0.398 4.518 4.120 -0.000 0.000 0.230 415 V C 2.867 178.999 176.094 0.063 0.000 1.254 415 V CA 0.624 62.957 62.300 0.056 0.000 1.276 415 V CB -0.829 31.018 31.823 0.040 0.000 1.080 415 V HN 0.463 nan 8.190 nan 0.000 0.495 416 G N 1.273 110.103 108.800 0.049 0.000 2.480 416 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 416 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 416 G C 1.320 176.254 174.900 0.056 0.000 1.200 416 G CA 1.448 46.576 45.100 0.046 0.000 0.782 416 G HN 0.487 nan 8.290 nan 0.000 0.554 417 N N 1.646 120.382 118.700 0.060 0.000 2.036 417 N HA -0.073 4.667 4.740 -0.000 0.000 0.195 417 N C -0.244 175.319 175.510 0.089 0.000 1.037 417 N CA 1.660 54.746 53.050 0.060 0.000 0.855 417 N CB -1.523 37.003 38.487 0.065 0.000 1.033 417 N HN 0.237 nan 8.380 nan 0.000 0.423 418 P HA -0.047 nan 4.420 nan 0.000 0.216 418 P C 1.056 178.524 177.300 0.280 0.000 1.150 418 P CA 1.591 64.890 63.100 0.332 0.000 0.837 418 P CB -0.093 31.776 31.700 0.282 0.000 0.786 419 A N -0.195 122.720 122.820 0.158 0.000 1.933 419 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 419 A C 2.408 180.051 177.584 0.100 0.000 1.175 419 A CA 1.765 53.876 52.037 0.123 0.000 0.628 419 A CB -1.082 17.966 19.000 0.080 0.000 0.814 419 A HN 0.069 nan 8.150 nan 0.000 0.444 420 R N -0.772 119.764 120.500 0.059 0.000 2.062 420 R HA 0.116 4.456 4.340 -0.000 0.000 0.226 420 R C 2.093 178.379 176.300 -0.024 0.000 1.125 420 R CA 1.069 57.182 56.100 0.022 0.000 0.966 420 R CB -0.341 29.963 30.300 0.007 0.000 0.861 420 R HN 0.482 nan 8.270 nan 0.000 0.433 421 L N -0.039 121.109 121.223 -0.125 0.000 2.093 421 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 421 L C 1.191 177.769 176.870 -0.486 0.000 1.085 421 L CA 1.458 56.067 54.840 -0.386 0.000 0.755 421 L CB 0.029 41.665 42.059 -0.705 0.000 0.904 421 L HN 0.268 nan 8.230 nan 0.000 0.435 422 F N -1.618 118.357 119.950 0.042 0.000 2.727 422 F HA 0.268 4.795 4.527 -0.000 0.000 0.302 422 F C 1.442 177.264 175.800 0.037 0.000 1.107 422 F CA -0.076 57.940 58.000 0.027 0.000 1.277 422 F CB -0.062 38.948 39.000 0.017 0.000 1.079 422 F HN -0.073 nan 8.300 nan 0.000 0.594 423 G N 0.000 108.930 108.800 0.217 0.000 5.446 423 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 423 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 423 G CA 0.000 45.218 45.100 0.197 0.000 0.502 423 G HN 0.000 nan 8.290 nan 0.000 0.925