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 2vjj_1_A DATA FIRST_RESID 112 DATA SEQUENCE DQFRAIIESP EGAGHVGYQY RRNTGSTMRM VSDVLDERVS LWDFHCDPSG DATA SEQUENCE NVIQPGPNVD SRQYLQAAID YVSSNGGGTI TIPAGYTWYL GSYGVGGIAG DATA SEQUENCE HSGIIQLRSN VNLNIEGRIH LSPFFDLKPF QVFVGFDNGD PASSGNLENC DATA SEQUENCE HIYGHGVVDF GGYEFGASSQ LRNGVAFGRS YNCSVTGITF QNGDVTWAIT DATA SEQUENCE LGWNGYGSNC YVRKCRFINL VNSSVNADHS TVYVNCPYSG VESCYFSMSS DATA SEQUENCE SFARNIACSV ELHQHDTFYR GSTVNGYCRG AYVVMHAAEA AGAGSYAYNM DATA SEQUENCE QVENNIAVIY GQFVILGSDV TATVSGHLND VIVSGNIVSI GERAAFSAPF DATA SEQUENCE GAFIDIGPDN SGASNVQDIQ RVLVTGNSFY APANITDSAA ITLRANLNGC DATA SEQUENCE TFIANNFDCR YMVYNAPGTT SPVVQNLVWD KSNVIGGTHA NQRAGQNLFD DATA SEQUENCE MQFASVVNST IEVQLSCEDL SMFSCILFPA SCQLSYSKIT VDSAWTKSMS DATA SEQUENCE NTAVFEGNQQ AGANVYVSYP ATVNLTSYNT QGAVPFFSTD TNYAWVTSAY DATA SEQUENCE SLSINENLDF SPPATYTNKA NGQLVGVGYN EIGGVRSVSV RLMLQRQV 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 112 D HA 0.000 nan 4.640 nan 0.000 0.175 112 D C 0.000 176.323 176.300 0.038 0.000 2.045 112 D CA 0.000 54.023 54.000 0.038 0.000 0.868 112 D CB 0.000 nan 40.800 nan 0.000 0.688 113 Q N 0.564 120.396 119.800 0.053 0.000 2.020 113 Q HA -0.110 4.229 4.340 -0.000 0.000 0.202 113 Q C 1.758 177.801 176.000 0.071 0.000 0.982 113 Q CA 1.731 57.562 55.803 0.048 0.000 0.838 113 Q CB -0.121 28.646 28.738 0.049 0.000 0.899 113 Q HN 0.721 nan 8.270 nan 0.000 0.423 114 F N 1.635 121.548 119.950 -0.061 0.000 2.095 114 F HA -0.207 4.320 4.527 0.000 0.000 0.298 114 F C 2.493 178.248 175.800 -0.077 0.000 1.104 114 F CA 1.899 59.849 58.000 -0.083 0.000 1.232 114 F CB -0.430 38.535 39.000 -0.058 0.000 0.987 114 F HN 0.044 nan 8.300 nan 0.000 0.475 115 R N 0.208 120.676 120.500 -0.053 0.000 2.113 115 R HA -0.246 4.094 4.340 -0.000 0.000 0.244 115 R C 2.336 178.539 176.300 -0.161 0.000 1.142 115 R CA 1.711 57.730 56.100 -0.135 0.000 0.953 115 R CB -0.806 29.472 30.300 -0.038 0.000 0.860 115 R HN 0.388 nan 8.270 nan 0.000 0.438 116 A N 0.701 123.460 122.820 -0.102 0.000 1.933 116 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 116 A C 2.159 179.665 177.584 -0.130 0.000 1.175 116 A CA 1.475 53.458 52.037 -0.091 0.000 0.628 116 A CB -0.424 18.545 19.000 -0.051 0.000 0.814 116 A HN 0.365 nan 8.150 nan 0.000 0.444 117 I N -0.239 120.218 120.570 -0.189 0.000 2.202 117 I HA -0.190 3.979 4.170 -0.000 0.000 0.242 117 I C 2.149 178.093 176.117 -0.288 0.000 1.091 117 I CA 0.795 61.944 61.300 -0.251 0.000 1.368 117 I CB -0.236 37.532 38.000 -0.387 0.000 1.058 117 I HN 0.216 nan 8.210 nan 0.000 0.410 118 I N 0.782 121.089 120.570 -0.439 0.000 2.286 118 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 118 I C 2.240 178.231 176.117 -0.210 0.000 1.115 118 I CA 1.724 62.787 61.300 -0.394 0.000 1.392 118 I CB -1.077 36.555 38.000 -0.613 0.000 1.065 118 I HN 0.366 nan 8.210 nan 0.000 0.418 119 E N 0.635 120.727 120.200 -0.181 0.000 2.481 119 E HA -0.030 4.320 4.350 -0.000 0.000 0.195 119 E C 1.096 177.643 176.600 -0.087 0.000 1.047 119 E CA 0.049 56.379 56.400 -0.116 0.000 0.867 119 E CB 0.175 29.815 29.700 -0.100 0.000 0.858 119 E HN 0.475 nan 8.360 nan 0.000 0.513 120 S N 0.904 116.553 115.700 -0.086 0.000 2.624 120 S HA 0.119 4.589 4.470 -0.000 0.000 0.263 120 S C -1.875 172.701 174.600 -0.040 0.000 1.287 120 S CA -1.226 56.941 58.200 -0.055 0.000 0.990 120 S CB 0.877 64.050 63.200 -0.045 0.000 0.950 120 S HN -0.242 nan 8.310 nan 0.000 0.561 121 P HA 0.047 nan 4.420 nan 0.000 0.228 121 P C 0.526 177.822 177.300 -0.007 0.000 1.151 121 P CA 0.866 63.948 63.100 -0.030 0.000 0.770 121 P CB -0.028 31.651 31.700 -0.035 0.000 0.786 122 E N -1.078 119.137 120.200 0.024 0.000 2.478 122 E HA 0.068 4.418 4.350 -0.000 0.000 0.194 122 E C 2.134 178.831 176.600 0.161 0.000 1.045 122 E CA 0.430 56.880 56.400 0.084 0.000 0.868 122 E CB -1.012 28.773 29.700 0.143 0.000 0.885 122 E HN 0.162 nan 8.360 nan 0.000 0.505 123 G N 1.089 109.936 108.800 0.077 0.000 2.469 123 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.219 123 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.219 123 G C 1.623 176.573 174.900 0.082 0.000 1.150 123 G CA 0.904 46.037 45.100 0.054 0.000 0.763 123 G HN 0.401 nan 8.290 nan 0.000 0.561 124 A N 0.571 123.410 122.820 0.032 0.000 2.067 124 A HA 0.240 4.560 4.320 -0.000 0.000 0.219 124 A C 2.546 180.140 177.584 0.017 0.000 1.158 124 A CA 1.734 53.781 52.037 0.016 0.000 0.661 124 A CB -0.638 18.355 19.000 -0.012 0.000 0.801 124 A HN 0.556 nan 8.150 nan 0.000 0.452 125 G N -2.336 106.461 108.800 -0.005 0.000 2.679 125 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.212 125 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.212 125 G C 1.048 175.807 174.900 -0.235 0.000 1.137 125 G CA 0.591 45.625 45.100 -0.110 0.000 0.787 125 G HN 0.725 nan 8.290 nan 0.000 0.534 126 H N -0.886 118.211 119.070 0.045 0.000 2.672 126 H HA 0.256 4.812 4.556 -0.001 0.000 0.277 126 H C -0.294 175.105 175.328 0.120 0.000 1.074 126 H CA -0.057 56.048 56.048 0.095 0.000 1.173 126 H CB 1.309 31.139 29.762 0.113 0.000 1.558 126 H HN 0.065 nan 8.280 nan 0.000 0.539 127 V N 1.753 121.762 119.914 0.160 0.000 2.313 127 V HA 0.349 4.469 4.120 -0.000 0.000 0.278 127 V C 0.922 177.093 176.094 0.130 0.000 1.017 127 V CA -0.846 61.541 62.300 0.144 0.000 0.823 127 V CB 1.114 32.998 31.823 0.101 0.000 1.010 127 V HN 0.319 nan 8.190 nan 0.000 0.443 128 G N 3.233 112.115 108.800 0.138 0.000 2.569 128 G HA2 0.398 4.358 3.960 -0.000 0.000 0.249 128 G HA3 0.398 4.358 3.960 -0.000 0.000 0.249 128 G C -1.236 173.788 174.900 0.207 0.000 1.216 128 G CA 0.042 45.226 45.100 0.140 0.000 0.845 128 G HN 0.742 nan 8.290 nan 0.000 0.568 129 Y N -0.525 119.802 120.300 0.045 0.000 2.521 129 Y HA 0.551 5.101 4.550 0.000 0.000 0.332 129 Y C -0.959 174.974 175.900 0.056 0.000 1.121 129 Y CA -1.019 57.111 58.100 0.049 0.000 1.037 129 Y CB 1.834 40.326 38.460 0.054 0.000 1.330 129 Y HN 0.621 nan 8.280 nan 0.000 0.452 130 Q N 5.076 124.459 119.800 -0.694 0.000 2.263 130 Q HA 0.262 4.602 4.340 -0.000 0.000 0.266 130 Q C -1.919 173.590 176.000 -0.819 0.000 1.002 130 Q CA -1.001 54.446 55.803 -0.592 0.000 0.790 130 Q CB 1.438 30.035 28.738 -0.234 0.000 1.272 130 Q HN 0.774 nan 8.270 nan 0.000 0.435 131 Y N 4.727 124.561 120.300 -0.777 0.000 2.852 131 Y HA -0.146 4.404 4.550 -0.000 0.000 0.343 131 Y C 0.316 176.092 175.900 -0.205 0.000 1.280 131 Y CA 1.527 59.382 58.100 -0.409 0.000 1.604 131 Y CB 0.162 38.556 38.460 -0.110 0.000 1.216 131 Y HN 0.847 nan 8.280 nan 0.000 0.541 132 R N 4.235 124.383 120.500 -0.587 0.000 3.610 132 R HA -0.333 4.007 4.340 -0.000 0.000 0.274 132 R C 0.397 176.547 176.300 -0.251 0.000 1.123 132 R CA 1.008 56.830 56.100 -0.463 0.000 0.747 132 R CB -1.353 28.539 30.300 -0.679 0.000 1.149 132 R HN 0.951 nan 8.270 nan 0.000 0.471 133 R N -1.479 118.895 120.500 -0.211 0.000 3.758 133 R HA -0.212 4.128 4.340 -0.000 0.000 0.299 133 R C -0.159 176.081 176.300 -0.099 0.000 1.182 133 R CA 1.041 57.061 56.100 -0.133 0.000 0.809 133 R CB -1.435 28.812 30.300 -0.088 0.000 1.249 133 R HN 0.407 nan 8.270 nan 0.000 0.497 134 N N 0.888 119.530 118.700 -0.097 0.000 2.420 134 N HA 0.008 4.748 4.740 -0.000 0.000 0.262 134 N C 1.298 176.792 175.510 -0.027 0.000 1.144 134 N CA 0.822 53.849 53.050 -0.038 0.000 0.952 134 N CB 1.148 39.648 38.487 0.020 0.000 1.081 134 N HN 0.207 nan 8.380 nan 0.000 0.480 135 T N 0.052 114.593 114.554 -0.021 0.000 2.929 135 T HA -0.069 4.281 4.350 -0.000 0.000 0.271 135 T C 1.638 176.334 174.700 -0.007 0.000 1.085 135 T CA 1.025 63.115 62.100 -0.016 0.000 1.125 135 T CB -0.450 68.410 68.868 -0.012 0.000 0.874 135 T HN 0.459 nan 8.240 nan 0.000 0.494 136 G N 0.441 109.243 108.800 0.003 0.000 2.920 136 G HA2 0.272 4.232 3.960 -0.000 0.000 0.208 136 G HA3 0.272 4.232 3.960 -0.000 0.000 0.208 136 G C 0.497 175.406 174.900 0.014 0.000 1.159 136 G CA -0.300 44.806 45.100 0.009 0.000 0.784 136 G HN 0.517 nan 8.290 nan 0.000 0.535 137 S N -0.147 115.562 115.700 0.015 0.000 2.672 137 S HA 0.457 4.927 4.470 -0.000 0.000 0.276 137 S C 0.343 174.942 174.600 -0.001 0.000 1.207 137 S CA -0.452 57.760 58.200 0.020 0.000 1.002 137 S CB 1.213 64.448 63.200 0.057 0.000 0.998 137 S HN 0.168 nan 8.310 nan 0.000 0.542 138 T N 3.087 117.643 114.554 0.004 0.000 2.916 138 T HA 0.128 4.478 4.350 -0.000 0.000 0.303 138 T C 0.229 174.931 174.700 0.003 0.000 1.025 138 T CA 0.285 62.390 62.100 0.009 0.000 1.142 138 T CB -0.096 68.786 68.868 0.023 0.000 0.947 138 T HN 0.408 nan 8.240 nan 0.000 0.544 139 M N 4.589 124.194 119.600 0.008 0.000 2.266 139 M HA 0.236 4.716 4.480 -0.000 0.000 0.340 139 M C 0.692 177.020 176.300 0.047 0.000 1.486 139 M CA 0.378 55.687 55.300 0.015 0.000 1.209 139 M CB 0.137 32.746 32.600 0.014 0.000 1.714 139 M HN 0.437 nan 8.290 nan 0.000 0.459 140 R N 2.260 122.812 120.500 0.086 0.000 2.923 140 R HA 0.739 5.079 4.340 -0.000 0.000 0.252 140 R C -0.747 175.638 176.300 0.142 0.000 1.130 140 R CA -1.125 55.052 56.100 0.129 0.000 1.043 140 R CB 1.528 31.954 30.300 0.210 0.000 1.205 140 R HN 0.480 nan 8.270 nan 0.000 0.495 141 M N 0.920 120.587 119.600 0.110 0.000 2.508 141 M HA 0.190 4.670 4.480 -0.000 0.000 0.327 141 M C 1.292 177.637 176.300 0.075 0.000 1.160 141 M CA -0.630 54.722 55.300 0.087 0.000 0.980 141 M CB 1.852 34.467 32.600 0.026 0.000 1.693 141 M HN 0.425 nan 8.290 nan 0.000 0.452 142 V N 1.619 121.563 119.914 0.050 0.000 2.317 142 V HA -0.316 3.803 4.120 -0.000 0.000 0.251 142 V C 2.309 178.381 176.094 -0.037 0.000 1.065 142 V CA 2.665 64.946 62.300 -0.032 0.000 1.049 142 V CB -1.003 30.801 31.823 -0.031 0.000 0.651 142 V HN 1.054 nan 8.190 nan 0.000 0.450 143 S N -0.117 115.575 115.700 -0.013 0.000 2.383 143 S HA -0.272 4.197 4.470 -0.000 0.000 0.229 143 S C 1.649 176.247 174.600 -0.004 0.000 1.030 143 S CA 1.697 59.888 58.200 -0.015 0.000 1.002 143 S CB -0.602 62.589 63.200 -0.015 0.000 0.829 143 S HN 0.645 nan 8.310 nan 0.000 0.467 144 D N 1.543 121.949 120.400 0.012 0.000 2.144 144 D HA -0.042 4.598 4.640 -0.000 0.000 0.199 144 D C 2.174 178.489 176.300 0.025 0.000 0.984 144 D CA 1.266 55.282 54.000 0.028 0.000 0.834 144 D CB -0.417 40.412 40.800 0.048 0.000 0.955 144 D HN 0.424 nan 8.370 nan 0.000 0.465 145 V N 1.265 121.181 119.914 0.004 0.000 2.379 145 V HA -0.157 3.963 4.120 -0.000 0.000 0.245 145 V C 2.683 178.761 176.094 -0.027 0.000 1.044 145 V CA 0.866 63.153 62.300 -0.021 0.000 1.036 145 V CB -0.529 31.218 31.823 -0.127 0.000 0.664 145 V HN 0.153 nan 8.190 nan 0.000 0.453 146 L N 0.039 121.239 121.223 -0.038 0.000 2.131 146 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 146 L C 2.127 179.000 176.870 0.006 0.000 1.092 146 L CA 1.325 56.153 54.840 -0.022 0.000 0.759 146 L CB -0.732 41.309 42.059 -0.031 0.000 0.903 146 L HN 0.329 nan 8.230 nan 0.000 0.435 147 D N 0.055 120.464 120.400 0.014 0.000 2.350 147 D HA -0.131 4.508 4.640 -0.000 0.000 0.216 147 D C 1.893 178.224 176.300 0.052 0.000 0.968 147 D CA 0.670 54.693 54.000 0.038 0.000 0.894 147 D CB 0.028 40.854 40.800 0.044 0.000 0.909 147 D HN 0.425 nan 8.370 nan 0.000 0.520 148 E N 0.149 120.373 120.200 0.040 0.000 2.338 148 E HA -0.096 4.254 4.350 -0.000 0.000 0.197 148 E C 0.531 177.163 176.600 0.053 0.000 1.007 148 E CA 0.507 56.933 56.400 0.044 0.000 0.849 148 E CB 0.264 29.984 29.700 0.034 0.000 0.774 148 E HN 0.298 nan 8.360 nan 0.000 0.506 149 R N -1.010 119.522 120.500 0.054 0.000 2.930 149 R HA 0.693 5.033 4.340 -0.000 0.000 0.257 149 R C -1.042 175.306 176.300 0.078 0.000 1.107 149 R CA -0.947 55.191 56.100 0.065 0.000 0.999 149 R CB 1.438 31.774 30.300 0.059 0.000 1.209 149 R HN -0.117 nan 8.270 nan 0.000 0.486 150 V N 0.081 120.048 119.914 0.088 0.000 3.000 150 V HA 0.753 4.872 4.120 -0.000 0.000 0.300 150 V C -1.558 174.593 176.094 0.095 0.000 1.251 150 V CA 0.302 62.673 62.300 0.119 0.000 0.972 150 V CB 2.396 34.325 31.823 0.176 0.000 1.065 150 V HN 1.225 nan 8.190 nan 0.000 0.431 151 S N 5.085 120.853 115.700 0.113 0.000 2.685 151 S HA 0.543 5.013 4.470 -0.000 0.000 0.282 151 S C 0.269 174.885 174.600 0.026 0.000 1.159 151 S CA -0.272 57.946 58.200 0.029 0.000 0.833 151 S CB 1.602 64.835 63.200 0.055 0.000 1.151 151 S HN 1.123 nan 8.310 nan 0.000 0.485 152 L N 0.531 121.616 121.223 -0.230 0.000 2.127 152 L HA 0.154 4.494 4.340 -0.000 0.000 0.211 152 L C 1.832 178.641 176.870 -0.102 0.000 1.089 152 L CA 1.584 56.244 54.840 -0.299 0.000 0.757 152 L CB -1.230 40.297 42.059 -0.885 0.000 0.899 152 L HN 0.837 nan 8.230 nan 0.000 0.434 153 W N -0.177 121.086 121.300 -0.063 0.000 2.364 153 W HA -0.201 4.458 4.660 -0.002 0.000 0.281 153 W C 1.999 178.510 176.519 -0.014 0.000 1.219 153 W CA 0.642 57.987 57.345 -0.000 0.000 1.220 153 W CB -0.192 29.256 29.460 -0.020 0.000 1.127 153 W HN 0.189 nan 8.180 nan 0.000 0.556 154 D N -1.014 119.501 120.400 0.192 0.000 2.363 154 D HA -0.052 4.588 4.640 -0.000 0.000 0.220 154 D C 0.837 176.847 176.300 -0.483 0.000 0.994 154 D CA 1.075 55.001 54.000 -0.125 0.000 0.890 154 D CB -0.141 40.548 40.800 -0.184 0.000 0.906 154 D HN 0.248 nan 8.370 nan 0.000 0.530 155 F N -1.177 118.808 119.950 0.058 0.000 2.798 155 F HA 0.097 4.623 4.527 -0.002 0.000 0.328 155 F C 1.067 176.915 175.800 0.080 0.000 1.098 155 F CA -0.438 57.600 58.000 0.064 0.000 1.172 155 F CB 0.402 39.444 39.000 0.070 0.000 1.072 155 F HN -0.038 nan 8.300 nan 0.000 0.555 156 H N 2.211 121.327 119.070 0.077 0.000 2.680 156 H HA 0.400 4.957 4.556 0.002 0.000 0.224 156 H C -0.660 174.486 175.328 -0.304 0.000 1.866 156 H CA -0.060 55.876 56.048 -0.187 0.000 1.302 156 H CB -0.120 29.654 29.762 0.021 0.000 1.709 156 H HN 0.347 nan 8.280 nan 0.000 0.537 157 C N 1.772 120.818 119.300 -0.424 0.000 3.090 157 C HA 0.439 4.899 4.460 -0.000 0.000 0.305 157 C C 0.070 174.948 174.990 -0.187 0.000 1.292 157 C CA -1.196 57.692 59.018 -0.216 0.000 1.482 157 C CB 1.402 29.096 27.740 -0.076 0.000 1.897 157 C HN 0.666 nan 8.230 nan 0.000 0.469 158 D N 0.781 121.132 120.400 -0.083 0.000 2.414 158 D HA 0.376 5.016 4.640 -0.000 0.000 0.251 158 D C -1.958 174.362 176.300 0.034 0.000 1.252 158 D CA -1.631 52.371 54.000 0.004 0.000 0.999 158 D CB -0.329 40.474 40.800 0.004 0.000 1.093 158 D HN 0.351 nan 8.370 nan 0.000 0.515 159 P HA -0.009 nan 4.420 nan 0.000 0.225 159 P C 0.613 177.926 177.300 0.022 0.000 1.148 159 P CA 0.884 64.010 63.100 0.044 0.000 0.779 159 P CB 0.134 31.860 31.700 0.042 0.000 0.780 160 S N -1.811 113.895 115.700 0.010 0.000 2.575 160 S HA 0.301 4.771 4.470 -0.000 0.000 0.215 160 S C 1.596 176.189 174.600 -0.013 0.000 0.966 160 S CA 0.588 58.787 58.200 -0.001 0.000 0.911 160 S CB -0.386 62.812 63.200 -0.003 0.000 0.780 160 S HN 0.328 nan 8.310 nan 0.000 0.514 161 G N 2.195 110.985 108.800 -0.017 0.000 2.157 161 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.239 161 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.239 161 G C -0.283 174.592 174.900 -0.041 0.000 0.982 161 G CA -0.533 44.546 45.100 -0.036 0.000 0.650 161 G HN 0.449 nan 8.290 nan 0.000 0.527 162 N N 0.488 119.168 118.700 -0.033 0.000 2.488 162 N HA 0.357 5.097 4.740 -0.000 0.000 0.274 162 N C 0.530 176.021 175.510 -0.030 0.000 1.111 162 N CA -0.072 52.958 53.050 -0.033 0.000 0.974 162 N CB 2.197 40.669 38.487 -0.025 0.000 1.089 162 N HN 0.224 nan 8.380 nan 0.000 0.465 163 V N 3.515 123.417 119.914 -0.020 0.000 2.788 163 V HA 0.034 4.154 4.120 -0.000 0.000 0.307 163 V C 0.189 176.311 176.094 0.046 0.000 1.069 163 V CA 0.277 62.595 62.300 0.030 0.000 1.173 163 V CB 0.069 31.900 31.823 0.013 0.000 0.925 163 V HN 0.445 nan 8.190 nan 0.000 0.492 164 I N 6.289 126.923 120.570 0.107 0.000 2.378 164 I HA 0.366 4.536 4.170 -0.000 0.000 0.291 164 I C -0.201 176.112 176.117 0.326 0.000 0.992 164 I CA -0.706 60.667 61.300 0.121 0.000 1.154 164 I CB 1.679 39.644 38.000 -0.059 0.000 1.315 164 I HN 0.518 nan 8.210 nan 0.000 0.448 165 Q N 7.153 127.079 119.800 0.211 0.000 2.332 165 Q HA 0.288 4.628 4.340 -0.000 0.000 0.263 165 Q C -2.185 173.897 176.000 0.136 0.000 0.979 165 Q CA -1.548 54.367 55.803 0.187 0.000 0.885 165 Q CB 0.591 29.398 28.738 0.115 0.000 1.218 165 Q HN 0.337 nan 8.270 nan 0.000 0.405 166 P HA 0.462 nan 4.420 nan 0.000 0.274 166 P C -0.297 176.983 177.300 -0.034 0.000 1.246 166 P CA -0.113 62.914 63.100 -0.122 0.000 0.795 166 P CB 1.080 32.272 31.700 -0.847 0.000 1.006 167 G N -0.038 108.803 108.800 0.067 0.000 2.316 167 G HA2 0.251 4.211 3.960 -0.000 0.000 0.296 167 G HA3 0.251 4.211 3.960 -0.000 0.000 0.296 167 G C -2.775 171.923 174.900 -0.336 0.000 1.399 167 G CA -0.734 44.357 45.100 -0.014 0.000 0.833 167 G HN 0.152 nan 8.290 nan 0.000 0.565 168 P HA -0.009 nan 4.420 nan 0.000 0.225 168 P C 0.783 177.780 177.300 -0.506 0.000 1.148 168 P CA 0.843 63.221 63.100 -1.204 0.000 0.779 168 P CB 0.187 31.416 31.700 -0.785 0.000 0.780 169 N N -0.698 117.844 118.700 -0.264 0.000 2.235 169 N HA 0.110 4.850 4.740 -0.000 0.000 0.209 169 N C -0.371 175.110 175.510 -0.049 0.000 1.122 169 N CA 0.132 53.107 53.050 -0.125 0.000 0.845 169 N CB 1.111 39.547 38.487 -0.086 0.000 1.004 169 N HN 0.038 nan 8.380 nan 0.000 0.499 170 V N 0.764 120.668 119.914 -0.016 0.000 2.588 170 V HA 0.179 4.299 4.120 -0.000 0.000 0.304 170 V C -0.605 175.579 176.094 0.151 0.000 1.042 170 V CA -1.013 61.344 62.300 0.095 0.000 0.877 170 V CB 2.706 34.632 31.823 0.171 0.000 0.996 170 V HN -0.081 nan 8.190 nan 0.000 0.425 171 D N 2.530 123.007 120.400 0.128 0.000 2.347 171 D HA 0.264 4.904 4.640 -0.000 0.000 0.235 171 D C 0.857 177.258 176.300 0.169 0.000 1.149 171 D CA 0.107 54.170 54.000 0.106 0.000 0.850 171 D CB 1.723 42.501 40.800 -0.037 0.000 1.061 171 D HN 0.432 nan 8.370 nan 0.000 0.487 172 S N 3.350 119.228 115.700 0.296 0.000 2.562 172 S HA -0.019 4.451 4.470 -0.000 0.000 0.221 172 S C 1.735 176.431 174.600 0.160 0.000 0.975 172 S CA -0.252 58.218 58.200 0.450 0.000 0.918 172 S CB 0.157 63.754 63.200 0.662 0.000 0.772 172 S HN 0.510 nan 8.310 nan 0.000 0.531 173 R N 2.247 122.752 120.500 0.008 0.000 2.097 173 R HA -0.248 4.092 4.340 -0.000 0.000 0.236 173 R C 2.432 178.647 176.300 -0.141 0.000 1.135 173 R CA 2.187 58.255 56.100 -0.054 0.000 0.934 173 R CB -0.426 29.837 30.300 -0.061 0.000 0.846 173 R HN 0.643 nan 8.270 nan 0.000 0.431 174 Q N -1.064 118.536 119.800 -0.334 0.000 2.170 174 Q HA -0.196 4.144 4.340 -0.000 0.000 0.203 174 Q C 1.609 177.441 176.000 -0.281 0.000 0.976 174 Q CA 1.628 57.220 55.803 -0.352 0.000 0.858 174 Q CB -0.433 28.025 28.738 -0.466 0.000 0.907 174 Q HN 0.458 nan 8.270 nan 0.000 0.433 175 Y N 0.691 120.994 120.300 0.005 0.000 2.220 175 Y HA -0.088 4.461 4.550 -0.001 0.000 0.291 175 Y C 2.123 178.040 175.900 0.029 0.000 1.129 175 Y CA 0.549 58.674 58.100 0.041 0.000 1.161 175 Y CB -0.623 37.837 38.460 0.000 0.000 0.997 175 Y HN 0.140 nan 8.280 nan 0.000 0.522 176 L N 0.330 121.626 121.223 0.122 0.000 2.093 176 L HA -0.183 4.156 4.340 -0.000 0.000 0.208 176 L C 2.300 179.142 176.870 -0.048 0.000 1.085 176 L CA 1.784 56.630 54.840 0.010 0.000 0.755 176 L CB -0.922 41.146 42.059 0.016 0.000 0.904 176 L HN 0.182 nan 8.230 nan 0.000 0.435 177 Q N -0.277 119.503 119.800 -0.034 0.000 2.084 177 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 177 Q C 2.201 178.156 176.000 -0.075 0.000 0.978 177 Q CA 2.008 57.787 55.803 -0.040 0.000 0.844 177 Q CB -0.455 28.267 28.738 -0.026 0.000 0.898 177 Q HN 0.590 nan 8.270 nan 0.000 0.426 178 A N 0.211 122.993 122.820 -0.062 0.000 1.908 178 A HA -0.118 4.201 4.320 -0.000 0.000 0.218 178 A C 2.266 179.584 177.584 -0.443 0.000 1.181 178 A CA 1.976 53.974 52.037 -0.065 0.000 0.627 178 A CB -1.176 17.910 19.000 0.144 0.000 0.818 178 A HN 0.503 nan 8.150 nan 0.000 0.445 179 A N -0.024 122.326 122.820 -0.784 0.000 1.858 179 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 179 A C 2.136 179.381 177.584 -0.564 0.000 1.190 179 A CA 1.569 52.787 52.037 -1.366 0.000 0.617 179 A CB -0.644 17.912 19.000 -0.740 0.000 0.827 179 A HN 0.494 nan 8.150 nan 0.000 0.443 180 I N -0.061 120.342 120.570 -0.278 0.000 2.208 180 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 180 I C 1.902 177.968 176.117 -0.085 0.000 1.097 180 I CA 1.601 62.826 61.300 -0.125 0.000 1.363 180 I CB -0.472 37.496 38.000 -0.054 0.000 1.051 180 I HN 0.266 nan 8.210 nan 0.000 0.413 181 D N -0.077 120.275 120.400 -0.080 0.000 2.097 181 D HA -0.224 4.415 4.640 -0.000 0.000 0.197 181 D C 1.943 178.239 176.300 -0.007 0.000 0.984 181 D CA 1.357 55.341 54.000 -0.027 0.000 0.826 181 D CB -0.437 40.364 40.800 0.001 0.000 0.973 181 D HN 0.341 nan 8.370 nan 0.000 0.460 182 Y N 1.378 121.611 120.300 -0.112 0.000 2.145 182 Y HA -0.221 4.328 4.550 -0.001 0.000 0.286 182 Y C 2.266 178.167 175.900 0.000 0.000 1.145 182 Y CA 1.254 59.347 58.100 -0.011 0.000 1.148 182 Y CB -0.249 38.272 38.460 0.101 0.000 0.981 182 Y HN -0.208 nan 8.280 nan 0.000 0.507 183 V N -0.871 119.107 119.914 0.107 0.000 2.407 183 V HA -0.286 3.833 4.120 -0.000 0.000 0.248 183 V C 2.590 178.669 176.094 -0.025 0.000 1.055 183 V CA 1.927 64.271 62.300 0.073 0.000 1.049 183 V CB -1.039 30.829 31.823 0.074 0.000 0.662 183 V HN 0.502 nan 8.190 nan 0.000 0.455 184 S N 0.769 116.444 115.700 -0.040 0.000 2.365 184 S HA -0.266 4.204 4.470 -0.000 0.000 0.225 184 S C 2.381 176.935 174.600 -0.076 0.000 1.039 184 S CA 2.350 60.522 58.200 -0.046 0.000 1.033 184 S CB -0.502 62.677 63.200 -0.036 0.000 0.887 184 S HN 0.834 nan 8.310 nan 0.000 0.447 185 S N 1.601 117.223 115.700 -0.130 0.000 2.402 185 S HA -0.089 4.380 4.470 -0.000 0.000 0.233 185 S C 1.259 175.755 174.600 -0.172 0.000 1.030 185 S CA 1.438 59.534 58.200 -0.173 0.000 1.003 185 S CB -0.671 62.356 63.200 -0.287 0.000 0.813 185 S HN 0.624 nan 8.310 nan 0.000 0.477 186 N N 1.297 119.888 118.700 -0.181 0.000 2.295 186 N HA 0.312 5.052 4.740 -0.000 0.000 0.221 186 N C 1.016 176.500 175.510 -0.044 0.000 1.129 186 N CA 0.633 53.616 53.050 -0.111 0.000 0.836 186 N CB 0.340 38.770 38.487 -0.095 0.000 1.040 186 N HN 0.687 nan 8.380 nan 0.000 0.494 187 G N -0.430 108.346 108.800 -0.041 0.000 2.141 187 G HA2 -0.058 3.901 3.960 -0.000 0.000 0.242 187 G HA3 -0.058 3.901 3.960 -0.000 0.000 0.242 187 G C 0.495 175.393 174.900 -0.003 0.000 0.982 187 G CA 0.315 45.404 45.100 -0.019 0.000 0.662 187 G HN 0.821 nan 8.290 nan 0.000 0.527 188 G N -2.012 106.788 108.800 -0.000 0.000 2.631 188 G HA2 0.576 4.536 3.960 -0.000 0.000 0.504 188 G HA3 0.576 4.536 3.960 -0.000 0.000 0.504 188 G C 0.804 175.727 174.900 0.038 0.000 1.306 188 G CA 0.791 45.901 45.100 0.017 0.000 0.897 188 G HN 2.653 nan 8.290 nan 0.000 0.520 189 G N -2.769 106.061 108.800 0.049 0.000 2.352 189 G HA2 0.650 4.610 3.960 -0.000 0.000 0.283 189 G HA3 0.650 4.610 3.960 -0.000 0.000 0.283 189 G C -0.762 174.181 174.900 0.071 0.000 1.308 189 G CA 0.701 45.840 45.100 0.064 0.000 0.892 189 G HN 1.806 nan 8.290 nan 0.000 0.504 190 T N 0.769 115.370 114.554 0.078 0.000 2.812 190 T HA 0.621 4.970 4.350 -0.000 0.000 0.282 190 T C -0.108 174.613 174.700 0.035 0.000 0.990 190 T CA -0.170 61.975 62.100 0.074 0.000 0.960 190 T CB 1.171 70.116 68.868 0.130 0.000 0.948 190 T HN 0.535 nan 8.240 nan 0.000 0.438 191 I N 2.846 123.408 120.570 -0.013 0.000 2.331 191 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 191 I C 0.644 176.694 176.117 -0.111 0.000 0.998 191 I CA -0.488 60.785 61.300 -0.046 0.000 1.267 191 I CB 1.347 39.302 38.000 -0.075 0.000 1.386 191 I HN 0.474 nan 8.210 nan 0.000 0.476 192 T N 6.759 121.252 114.554 -0.101 0.000 2.856 192 T HA 0.389 4.739 4.350 -0.000 0.000 0.292 192 T C 0.131 174.682 174.700 -0.247 0.000 0.980 192 T CA -0.265 61.746 62.100 -0.148 0.000 1.091 192 T CB 0.731 69.559 68.868 -0.066 0.000 0.936 192 T HN 0.172 nan 8.240 nan 0.000 0.503 193 I N 5.810 126.199 120.570 -0.302 0.000 2.287 193 I HA 0.294 4.464 4.170 -0.000 0.000 0.290 193 I C -2.259 173.702 176.117 -0.260 0.000 1.069 193 I CA -3.707 57.302 61.300 -0.485 0.000 1.237 193 I CB 0.227 37.957 38.000 -0.450 0.000 1.418 193 I HN 0.272 nan 8.210 nan 0.000 0.481 194 P HA 0.087 nan 4.420 nan 0.000 0.268 194 P C -0.002 177.519 177.300 0.369 0.000 1.205 194 P CA -0.065 63.132 63.100 0.162 0.000 0.771 194 P CB 0.717 32.579 31.700 0.270 0.000 0.858 195 A N 2.978 125.960 122.820 0.269 0.000 2.466 195 A HA 0.455 4.775 4.320 -0.000 0.000 0.238 195 A C 1.505 179.231 177.584 0.237 0.000 1.074 195 A CA 0.668 52.834 52.037 0.215 0.000 0.774 195 A CB -1.166 17.911 19.000 0.129 0.000 1.015 195 A HN 0.856 nan 8.150 nan 0.000 0.498 196 G N -1.016 107.816 108.800 0.053 0.000 2.175 196 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.244 196 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.244 196 G C -0.166 174.401 174.900 -0.554 0.000 0.982 196 G CA 0.708 45.680 45.100 -0.215 0.000 0.641 196 G HN 1.026 nan 8.290 nan 0.000 0.527 197 Y N -0.311 119.963 120.300 -0.043 0.000 2.553 197 Y HA 0.659 5.208 4.550 -0.000 0.000 0.347 197 Y C 0.299 175.970 175.900 -0.381 0.000 1.019 197 Y CA -0.697 57.216 58.100 -0.311 0.000 1.032 197 Y CB 2.000 40.049 38.460 -0.684 0.000 1.284 197 Y HN 0.048 nan 8.280 nan 0.000 0.466 198 T N 1.602 115.974 114.554 -0.304 0.000 2.771 198 T HA 0.281 4.630 4.350 -0.000 0.000 0.281 198 T C -1.339 173.104 174.700 -0.428 0.000 0.982 198 T CA -0.636 61.287 62.100 -0.295 0.000 0.978 198 T CB 0.148 68.865 68.868 -0.252 0.000 0.930 198 T HN 0.396 nan 8.240 nan 0.000 0.447 199 W N 3.210 124.427 121.300 -0.139 0.000 2.294 199 W HA 0.521 5.179 4.660 -0.003 0.000 0.314 199 W C -0.657 175.825 176.519 -0.062 0.000 1.044 199 W CA -0.984 56.330 57.345 -0.052 0.000 1.284 199 W CB 0.351 29.751 29.460 -0.100 0.000 1.231 199 W HN 0.600 nan 8.180 nan 0.000 0.419 200 Y N 2.998 123.423 120.300 0.209 0.000 2.310 200 Y HA 0.531 5.082 4.550 0.001 0.000 0.326 200 Y C 0.393 176.393 175.900 0.168 0.000 1.151 200 Y CA -0.831 57.372 58.100 0.172 0.000 1.195 200 Y CB 0.831 39.359 38.460 0.113 0.000 1.210 200 Y HN 0.081 nan 8.280 nan 0.000 0.483 201 L N 1.859 123.247 121.223 0.274 0.000 2.322 201 L HA 0.611 4.950 4.340 -0.000 0.000 0.281 201 L C 0.698 177.758 176.870 0.317 0.000 1.014 201 L CA -0.396 54.562 54.840 0.197 0.000 0.815 201 L CB 1.798 43.880 42.059 0.039 0.000 1.247 201 L HN 0.951 nan 8.230 nan 0.000 0.421 202 G N 0.786 109.684 108.800 0.164 0.000 4.165 202 G HA2 0.343 4.303 3.960 -0.000 0.000 0.287 202 G HA3 0.343 4.303 3.960 -0.000 0.000 0.287 202 G C -0.217 174.284 174.900 -0.665 0.000 1.019 202 G CA 0.263 45.319 45.100 -0.075 0.000 0.806 202 G HN 0.591 nan 8.290 nan 0.000 0.447 203 S N -1.042 114.355 115.700 -0.505 0.000 2.587 203 S HA 0.645 5.115 4.470 -0.000 0.000 0.269 203 S C -1.372 173.132 174.600 -0.159 0.000 1.154 203 S CA -0.875 56.852 58.200 -0.787 0.000 0.824 203 S CB 1.438 64.335 63.200 -0.506 0.000 1.118 203 S HN 0.044 nan 8.310 nan 0.000 0.462 204 Y N 1.015 121.348 120.300 0.055 0.000 2.301 204 Y HA 0.604 5.151 4.550 -0.004 0.000 0.328 204 Y C 1.495 177.447 175.900 0.087 0.000 1.242 204 Y CA 0.817 59.047 58.100 0.216 0.000 1.323 204 Y CB 0.554 39.162 38.460 0.247 0.000 1.266 204 Y HN 1.085 nan 8.280 nan 0.000 0.527 205 G N 0.433 109.404 108.800 0.285 0.000 2.588 205 G HA2 0.493 4.453 3.960 -0.000 0.000 0.278 205 G HA3 0.493 4.453 3.960 -0.000 0.000 0.278 205 G C -0.616 174.364 174.900 0.134 0.000 1.307 205 G CA -0.242 44.950 45.100 0.153 0.000 1.016 205 G HN 0.700 nan 8.290 nan 0.000 0.503 206 V N -3.379 116.585 119.914 0.082 0.000 3.155 206 V HA 0.976 5.096 4.120 -0.000 0.000 0.313 206 V C 1.065 177.189 176.094 0.050 0.000 1.162 206 V CA 0.381 62.715 62.300 0.056 0.000 1.048 206 V CB 0.791 32.636 31.823 0.036 0.000 1.092 206 V HN 2.419 nan 8.190 nan 0.000 0.447 207 G N 1.100 109.919 108.800 0.032 0.000 2.531 207 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.274 207 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.274 207 G C 0.981 175.903 174.900 0.037 0.000 1.159 207 G CA 0.505 45.622 45.100 0.028 0.000 0.969 207 G HN 2.162 nan 8.290 nan 0.000 0.554 208 G N 0.479 109.311 108.800 0.053 0.000 2.462 208 G HA2 0.106 4.066 3.960 -0.000 0.000 0.220 208 G HA3 0.106 4.066 3.960 -0.000 0.000 0.220 208 G C 1.852 176.848 174.900 0.159 0.000 1.121 208 G CA 2.007 47.153 45.100 0.078 0.000 0.758 208 G HN 1.691 nan 8.290 nan 0.000 0.559 209 I N -1.993 118.676 120.570 0.166 0.000 3.578 209 I HA 0.426 4.596 4.170 -0.000 0.000 0.295 209 I C 2.468 178.699 176.117 0.190 0.000 1.280 209 I CA 0.708 62.160 61.300 0.253 0.000 1.347 209 I CB 0.013 38.129 38.000 0.194 0.000 1.051 209 I HN 0.063 nan 8.210 nan 0.000 0.460 210 A N 2.164 125.032 122.820 0.080 0.000 1.933 210 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 210 A C 2.293 179.826 177.584 -0.086 0.000 1.175 210 A CA 1.618 53.652 52.037 -0.005 0.000 0.628 210 A CB -1.465 17.518 19.000 -0.029 0.000 0.814 210 A HN 0.549 nan 8.150 nan 0.000 0.444 211 G N -2.246 106.458 108.800 -0.159 0.000 2.708 211 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.210 211 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.210 211 G C 0.858 175.407 174.900 -0.585 0.000 1.141 211 G CA 0.747 45.619 45.100 -0.379 0.000 0.788 211 G HN 0.747 nan 8.290 nan 0.000 0.531 212 H N -0.596 118.457 119.070 -0.029 0.000 2.649 212 H HA 0.216 4.772 4.556 -0.001 0.000 0.258 212 H C 0.894 176.278 175.328 0.094 0.000 1.165 212 H CA 0.199 56.262 56.048 0.026 0.000 1.006 212 H CB 0.411 30.218 29.762 0.075 0.000 1.743 212 H HN 0.198 nan 8.280 nan 0.000 0.609 213 S N 0.774 116.541 115.700 0.111 0.000 3.521 213 S HA -0.164 4.305 4.470 -0.000 0.000 0.362 213 S C 1.142 175.970 174.600 0.381 0.000 1.044 213 S CA 0.548 58.843 58.200 0.157 0.000 1.091 213 S CB -1.291 62.048 63.200 0.232 0.000 0.908 213 S HN 0.774 nan 8.310 nan 0.000 0.473 214 G N -0.436 108.551 108.800 0.312 0.000 2.444 214 G HA2 0.582 4.542 3.960 -0.000 0.000 0.268 214 G HA3 0.582 4.542 3.960 -0.000 0.000 0.268 214 G C 0.777 175.876 174.900 0.332 0.000 1.203 214 G CA -0.653 44.626 45.100 0.299 0.000 0.835 214 G HN 0.377 nan 8.290 nan 0.000 0.543 215 I N 0.834 121.514 120.570 0.183 0.000 2.726 215 I HA 0.199 4.369 4.170 -0.000 0.000 0.243 215 I C 0.321 176.450 176.117 0.020 0.000 1.082 215 I CA 0.377 61.734 61.300 0.094 0.000 1.447 215 I CB 0.016 37.952 38.000 -0.107 0.000 1.250 215 I HN 0.176 nan 8.210 nan 0.000 0.453 216 I N 1.591 122.122 120.570 -0.066 0.000 2.441 216 I HA 0.253 4.422 4.170 -0.000 0.000 0.295 216 I C -0.155 176.018 176.117 0.093 0.000 0.994 216 I CA -0.286 61.010 61.300 -0.007 0.000 1.144 216 I CB 1.501 39.472 38.000 -0.049 0.000 1.314 216 I HN 0.256 nan 8.210 nan 0.000 0.445 217 Q N 5.836 125.695 119.800 0.098 0.000 2.331 217 Q HA 0.478 4.818 4.340 -0.000 0.000 0.257 217 Q C -1.174 174.893 176.000 0.112 0.000 0.957 217 Q CA -0.594 55.272 55.803 0.105 0.000 0.923 217 Q CB 1.189 29.974 28.738 0.078 0.000 1.212 217 Q HN 0.531 nan 8.270 nan 0.000 0.443 218 L N 3.712 125.013 121.223 0.130 0.000 2.436 218 L HA 0.430 4.770 4.340 -0.000 0.000 0.265 218 L C 0.313 177.216 176.870 0.056 0.000 1.168 218 L CA -0.103 54.801 54.840 0.107 0.000 0.815 218 L CB 0.664 42.807 42.059 0.140 0.000 1.109 218 L HN 0.598 nan 8.230 nan 0.000 0.462 219 R N 0.684 121.202 120.500 0.030 0.000 2.795 219 R HA 0.422 4.762 4.340 -0.000 0.000 0.275 219 R C -0.860 175.434 176.300 -0.010 0.000 0.981 219 R CA -0.868 55.236 56.100 0.007 0.000 0.917 219 R CB 2.107 32.407 30.300 0.000 0.000 1.202 219 R HN 0.557 nan 8.270 nan 0.000 0.469 220 S N 2.238 117.926 115.700 -0.020 0.000 2.560 220 S HA 0.007 4.476 4.470 -0.000 0.000 0.284 220 S C 0.591 175.175 174.600 -0.027 0.000 1.327 220 S CA -0.112 58.067 58.200 -0.034 0.000 1.055 220 S CB 0.159 63.341 63.200 -0.031 0.000 0.868 220 S HN 0.791 nan 8.310 nan 0.000 0.506 221 N N -1.306 117.374 118.700 -0.032 0.000 2.863 221 N HA -0.157 4.583 4.740 -0.000 0.000 0.245 221 N C -0.797 174.721 175.510 0.013 0.000 1.001 221 N CA 0.760 53.808 53.050 -0.004 0.000 0.901 221 N CB -1.270 37.218 38.487 0.001 0.000 1.124 221 N HN 0.361 nan 8.380 nan 0.000 0.582 222 V N 1.926 121.841 119.914 0.002 0.000 2.311 222 V HA 0.299 4.418 4.120 -0.000 0.000 0.275 222 V C 0.283 176.389 176.094 0.021 0.000 1.022 222 V CA -0.826 61.481 62.300 0.013 0.000 0.830 222 V CB 1.601 33.422 31.823 -0.002 0.000 1.012 222 V HN 0.089 nan 8.190 nan 0.000 0.452 223 N N 4.688 123.422 118.700 0.058 0.000 2.508 223 N HA 0.608 5.348 4.740 -0.000 0.000 0.285 223 N C -0.774 174.745 175.510 0.015 0.000 1.144 223 N CA -0.427 52.681 53.050 0.097 0.000 0.978 223 N CB 2.259 40.887 38.487 0.235 0.000 1.180 223 N HN 0.479 nan 8.380 nan 0.000 0.484 224 L N 1.299 122.494 121.223 -0.046 0.000 2.319 224 L HA 0.359 4.699 4.340 -0.000 0.000 0.281 224 L C 0.438 177.091 176.870 -0.363 0.000 1.005 224 L CA -0.538 54.192 54.840 -0.183 0.000 0.828 224 L CB 1.247 43.163 42.059 -0.239 0.000 1.227 224 L HN 0.470 nan 8.230 nan 0.000 0.415 225 N N 5.566 123.992 118.700 -0.457 0.000 2.602 225 N HA 0.294 5.033 4.740 -0.000 0.000 0.238 225 N C -0.688 174.560 175.510 -0.436 0.000 1.084 225 N CA -0.535 52.068 53.050 -0.745 0.000 0.952 225 N CB 0.570 38.699 38.487 -0.597 0.000 1.244 225 N HN 0.576 nan 8.380 nan 0.000 0.512 226 I N 3.307 123.639 120.570 -0.396 0.000 2.294 226 I HA 0.086 4.256 4.170 -0.000 0.000 0.295 226 I C 0.877 176.891 176.117 -0.173 0.000 1.098 226 I CA -0.305 60.842 61.300 -0.256 0.000 1.277 226 I CB 0.954 38.809 38.000 -0.241 0.000 1.434 226 I HN 0.459 nan 8.210 nan 0.000 0.498 227 E N 4.105 124.248 120.200 -0.095 0.000 2.340 227 E HA 0.142 4.492 4.350 -0.000 0.000 0.198 227 E C 1.193 177.826 176.600 0.055 0.000 0.961 227 E CA 0.140 56.545 56.400 0.009 0.000 0.905 227 E CB 0.545 30.276 29.700 0.053 0.000 0.884 227 E HN 0.736 nan 8.360 nan 0.000 0.491 228 G N 0.789 109.638 108.800 0.082 0.000 2.574 228 G HA2 0.424 4.384 3.960 -0.000 0.000 0.248 228 G HA3 0.424 4.384 3.960 -0.000 0.000 0.248 228 G C -0.243 174.713 174.900 0.094 0.000 1.422 228 G CA -0.546 44.648 45.100 0.156 0.000 1.051 228 G HN -0.074 nan 8.290 nan 0.000 0.560 229 R N -0.984 119.595 120.500 0.132 0.000 2.514 229 R HA 0.527 4.867 4.340 -0.000 0.000 0.301 229 R C -0.929 175.409 176.300 0.063 0.000 0.962 229 R CA -0.472 55.645 56.100 0.029 0.000 0.882 229 R CB 2.012 32.297 30.300 -0.024 0.000 1.143 229 R HN 0.281 nan 8.270 nan 0.000 0.452 230 I N 1.811 122.358 120.570 -0.038 0.000 2.406 230 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 230 I C -0.620 175.402 176.117 -0.159 0.000 0.999 230 I CA -0.592 60.679 61.300 -0.048 0.000 1.124 230 I CB 1.675 39.659 38.000 -0.027 0.000 1.289 230 I HN 0.566 nan 8.210 nan 0.000 0.441 231 H N 5.862 124.749 119.070 -0.304 0.000 2.759 231 H HA 0.526 5.082 4.556 -0.001 0.000 0.354 231 H C -1.253 173.998 175.328 -0.128 0.000 1.074 231 H CA -0.661 55.189 56.048 -0.329 0.000 1.226 231 H CB 1.559 30.934 29.762 -0.645 0.000 1.648 231 H HN 0.437 nan 8.280 nan 0.000 0.529 232 L N 3.889 125.133 121.223 0.036 0.000 2.331 232 L HA 0.250 4.590 4.340 -0.000 0.000 0.278 232 L C 0.285 177.530 176.870 0.625 0.000 1.106 232 L CA -0.272 54.697 54.840 0.216 0.000 0.824 232 L CB 1.222 43.259 42.059 -0.037 0.000 1.142 232 L HN 0.623 nan 8.230 nan 0.000 0.443 233 S N 3.870 119.921 115.700 0.585 0.000 2.632 233 S HA 0.194 4.664 4.470 -0.000 0.000 0.267 233 S C -1.553 173.231 174.600 0.307 0.000 1.276 233 S CA -0.999 57.489 58.200 0.480 0.000 0.998 233 S CB 1.105 64.478 63.200 0.289 0.000 0.953 233 S HN 0.477 nan 8.310 nan 0.000 0.547 234 P HA -0.060 nan 4.420 nan 0.000 0.223 234 P C 1.127 178.263 177.300 -0.274 0.000 1.144 234 P CA 0.515 63.498 63.100 -0.196 0.000 0.783 234 P CB -0.043 31.661 31.700 0.007 0.000 0.771 235 F N -0.023 119.742 119.950 -0.308 0.000 2.141 235 F HA -0.231 4.292 4.527 -0.006 0.000 0.300 235 F C 1.437 176.896 175.800 -0.569 0.000 1.079 235 F CA 1.644 59.368 58.000 -0.461 0.000 1.264 235 F CB -0.690 37.931 39.000 -0.630 0.000 1.011 235 F HN -0.172 nan 8.300 nan 0.000 0.487 236 F N 0.035 119.790 119.950 -0.326 0.000 2.797 236 F HA 0.105 4.637 4.527 0.008 0.000 0.302 236 F C 0.827 176.439 175.800 -0.313 0.000 1.130 236 F CA -0.126 57.695 58.000 -0.298 0.000 1.387 236 F CB -0.858 38.038 39.000 -0.173 0.000 1.107 236 F HN -0.199 nan 8.300 nan 0.000 0.577 237 D N 0.863 120.955 120.400 -0.515 0.000 2.493 237 D HA 0.005 4.645 4.640 -0.000 0.000 0.240 237 D C 1.064 177.307 176.300 -0.095 0.000 1.142 237 D CA 0.617 54.403 54.000 -0.356 0.000 0.872 237 D CB 0.470 41.047 40.800 -0.370 0.000 1.173 237 D HN 0.261 nan 8.370 nan 0.000 0.467 238 L N 0.746 121.991 121.223 0.037 0.000 4.429 238 L HA -0.332 4.008 4.340 -0.000 0.000 0.422 238 L C 0.318 177.223 176.870 0.058 0.000 1.149 238 L CA 0.993 55.863 54.840 0.050 0.000 0.972 238 L CB -1.440 40.628 42.059 0.015 0.000 2.059 238 L HN 0.467 nan 8.230 nan 0.000 0.870 239 K N 0.379 120.838 120.400 0.098 0.000 2.281 239 K HA 0.616 4.936 4.320 -0.000 0.000 0.242 239 K C -2.329 174.380 176.600 0.183 0.000 0.971 239 K CA -1.813 54.565 56.287 0.152 0.000 0.834 239 K CB 1.990 34.585 32.500 0.158 0.000 1.181 239 K HN -0.216 nan 8.250 nan 0.000 0.435 240 P HA 0.228 nan 4.420 nan 0.000 0.276 240 P C -1.128 176.341 177.300 0.282 0.000 1.244 240 P CA -0.181 62.964 63.100 0.076 0.000 0.801 240 P CB 0.282 32.051 31.700 0.117 0.000 1.006 241 F N -2.350 117.741 119.950 0.235 0.000 2.688 241 F HA 0.489 5.015 4.527 -0.001 0.000 0.308 241 F C -1.321 174.576 175.800 0.161 0.000 1.117 241 F CA -1.049 57.086 58.000 0.224 0.000 0.976 241 F CB 1.159 40.129 39.000 -0.050 0.000 1.291 241 F HN 0.164 nan 8.300 nan 0.000 0.439 242 Q N 2.251 122.299 119.800 0.413 0.000 2.320 242 Q HA 0.486 4.825 4.340 -0.000 0.000 0.268 242 Q C 0.018 176.154 176.000 0.227 0.000 1.023 242 Q CA -0.871 55.133 55.803 0.335 0.000 0.744 242 Q CB 3.050 31.962 28.738 0.290 0.000 1.246 242 Q HN 0.746 nan 8.270 nan 0.000 0.462 243 V N 1.891 121.913 119.914 0.179 0.000 2.307 243 V HA -0.078 4.042 4.120 -0.000 0.000 0.245 243 V C 0.305 176.144 176.094 -0.426 0.000 1.045 243 V CA 1.561 63.744 62.300 -0.195 0.000 1.024 243 V CB -0.092 31.562 31.823 -0.281 0.000 0.651 243 V HN 0.518 nan 8.190 nan 0.000 0.449 244 F N -0.944 119.058 119.950 0.087 0.000 2.477 244 F HA 0.667 5.195 4.527 0.002 0.000 0.335 244 F C -0.448 175.360 175.800 0.013 0.000 1.130 244 F CA -0.745 57.275 58.000 0.034 0.000 0.948 244 F CB 1.710 40.705 39.000 -0.007 0.000 1.154 244 F HN -0.331 nan 8.300 nan 0.000 0.439 245 V N 2.212 122.237 119.914 0.184 0.000 2.531 245 V HA 0.504 4.623 4.120 -0.000 0.000 0.301 245 V C 0.498 176.622 176.094 0.050 0.000 1.034 245 V CA -0.551 61.805 62.300 0.093 0.000 0.865 245 V CB 1.633 33.530 31.823 0.122 0.000 0.995 245 V HN 0.954 nan 8.190 nan 0.000 0.424 246 G N 2.980 111.740 108.800 -0.068 0.000 2.986 246 G HA2 0.138 4.097 3.960 -0.000 0.000 0.213 246 G HA3 0.138 4.097 3.960 -0.000 0.000 0.213 246 G C 0.300 175.100 174.900 -0.166 0.000 1.156 246 G CA -0.001 45.051 45.100 -0.081 0.000 0.763 246 G HN 0.439 nan 8.290 nan 0.000 0.547 247 F N 1.855 121.713 119.950 -0.153 0.000 2.553 247 F HA 0.213 4.739 4.527 -0.001 0.000 0.356 247 F C 1.283 177.027 175.800 -0.094 0.000 1.142 247 F CA -0.327 57.551 58.000 -0.204 0.000 1.322 247 F CB 1.051 39.758 39.000 -0.488 0.000 1.126 247 F HN 0.173 nan 8.300 nan 0.000 0.599 248 D N -0.776 119.712 120.400 0.146 0.000 2.479 248 D HA 0.077 4.717 4.640 -0.000 0.000 0.218 248 D C -0.375 175.971 176.300 0.076 0.000 1.177 248 D CA -0.075 53.979 54.000 0.089 0.000 0.830 248 D CB -0.196 40.633 40.800 0.048 0.000 1.014 248 D HN 0.336 nan 8.370 nan 0.000 0.503 249 N N -0.456 118.301 118.700 0.095 0.000 2.308 249 N HA 0.311 5.051 4.740 -0.000 0.000 0.283 249 N C 0.977 176.518 175.510 0.052 0.000 1.105 249 N CA -0.209 52.861 53.050 0.034 0.000 0.840 249 N CB 2.169 40.639 38.487 -0.027 0.000 1.633 249 N HN -0.008 nan 8.380 nan 0.000 0.476 250 G N 0.629 109.398 108.800 -0.051 0.000 2.448 250 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.219 250 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.219 250 G C 0.354 175.038 174.900 -0.360 0.000 1.127 250 G CA 0.709 45.664 45.100 -0.242 0.000 0.766 250 G HN 0.619 nan 8.290 nan 0.000 0.552 251 D N 0.046 120.298 120.400 -0.246 0.000 2.359 251 D HA 0.275 4.914 4.640 -0.000 0.000 0.230 251 D C -1.113 174.947 176.300 -0.401 0.000 1.118 251 D CA -2.658 51.169 54.000 -0.288 0.000 0.844 251 D CB 1.923 42.611 40.800 -0.187 0.000 1.059 251 D HN -0.008 nan 8.370 nan 0.000 0.493 252 P HA -0.139 nan 4.420 nan 0.000 0.218 252 P C 1.055 177.730 177.300 -1.043 0.000 1.148 252 P CA 0.837 63.252 63.100 -1.142 0.000 0.822 252 P CB 0.144 30.600 31.700 -2.073 0.000 0.784 253 A N -0.080 122.286 122.820 -0.757 0.000 2.024 253 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 253 A C 2.198 179.670 177.584 -0.186 0.000 1.164 253 A CA 1.824 53.685 52.037 -0.292 0.000 0.643 253 A CB -1.205 17.804 19.000 0.015 0.000 0.806 253 A HN 0.217 nan 8.150 nan 0.000 0.451 254 S N -0.804 114.780 115.700 -0.193 0.000 2.540 254 S HA 0.174 4.644 4.470 -0.000 0.000 0.218 254 S C 0.796 175.337 174.600 -0.098 0.000 0.977 254 S CA 0.181 58.313 58.200 -0.114 0.000 0.918 254 S CB -0.033 63.114 63.200 -0.089 0.000 0.806 254 S HN 0.499 nan 8.310 nan 0.000 0.496 255 S N 1.548 117.173 115.700 -0.125 0.000 2.580 255 S HA 0.556 5.026 4.470 -0.000 0.000 0.274 255 S C 0.810 175.400 174.600 -0.018 0.000 1.329 255 S CA -0.530 57.650 58.200 -0.034 0.000 1.036 255 S CB 0.598 63.841 63.200 0.071 0.000 0.919 255 S HN 0.423 nan 8.310 nan 0.000 0.515 256 G N 3.202 112.005 108.800 0.005 0.000 2.621 256 G HA2 0.252 4.211 3.960 -0.000 0.000 0.271 256 G HA3 0.252 4.211 3.960 -0.000 0.000 0.271 256 G C -0.341 174.577 174.900 0.029 0.000 1.236 256 G CA -0.644 44.459 45.100 0.005 0.000 0.958 256 G HN 0.769 nan 8.290 nan 0.000 0.512 257 N N -1.134 117.587 118.700 0.034 0.000 2.508 257 N HA 0.378 5.118 4.740 -0.000 0.000 0.285 257 N C -0.833 174.703 175.510 0.043 0.000 1.144 257 N CA -0.539 52.565 53.050 0.090 0.000 0.978 257 N CB 1.989 40.538 38.487 0.103 0.000 1.180 257 N HN 0.286 nan 8.380 nan 0.000 0.484 258 L N 0.808 122.055 121.223 0.040 0.000 2.296 258 L HA 0.389 4.729 4.340 -0.000 0.000 0.286 258 L C -0.410 176.459 176.870 -0.002 0.000 1.023 258 L CA -0.107 54.724 54.840 -0.015 0.000 0.812 258 L CB 0.627 42.648 42.059 -0.063 0.000 1.223 258 L HN 0.476 nan 8.230 nan 0.000 0.421 259 E N 4.220 124.399 120.200 -0.035 0.000 2.266 259 E HA 0.410 4.760 4.350 -0.000 0.000 0.268 259 E C -0.739 175.793 176.600 -0.114 0.000 0.879 259 E CA -0.867 55.509 56.400 -0.041 0.000 0.762 259 E CB 1.278 30.967 29.700 -0.018 0.000 1.199 259 E HN 0.587 nan 8.360 nan 0.000 0.422 260 N N 0.587 119.188 118.700 -0.165 0.000 2.727 260 N HA -0.170 4.569 4.740 -0.000 0.000 0.251 260 N C -1.263 174.049 175.510 -0.329 0.000 1.040 260 N CA 0.563 53.501 53.050 -0.187 0.000 0.712 260 N CB -1.636 36.840 38.487 -0.018 0.000 0.912 260 N HN 0.450 nan 8.380 nan 0.000 0.545 261 C N 2.252 121.196 119.300 -0.593 0.000 2.322 261 C HA 0.428 4.888 4.460 -0.000 0.000 0.324 261 C C -0.421 174.198 174.990 -0.617 0.000 1.249 261 C CA -0.643 58.114 59.018 -0.435 0.000 1.453 261 C CB 0.177 27.767 27.740 -0.250 0.000 2.145 261 C HN 0.401 nan 8.230 nan 0.000 0.466 262 H N 5.793 124.882 119.070 0.033 0.000 2.529 262 H HA 0.500 5.055 4.556 -0.000 0.000 0.348 262 H C -0.626 174.826 175.328 0.208 0.000 1.079 262 H CA -0.377 55.743 56.048 0.120 0.000 1.198 262 H CB 1.695 31.521 29.762 0.106 0.000 1.521 262 H HN 0.601 nan 8.280 nan 0.000 0.514 263 I N 4.816 125.583 120.570 0.328 0.000 2.362 263 I HA 0.236 4.405 4.170 -0.000 0.000 0.289 263 I C -0.772 175.486 176.117 0.234 0.000 0.994 263 I CA -0.803 60.589 61.300 0.154 0.000 1.158 263 I CB 0.740 38.751 38.000 0.018 0.000 1.315 263 I HN 0.518 nan 8.210 nan 0.000 0.451 264 Y N 4.103 124.394 120.300 -0.015 0.000 2.670 264 Y HA 0.935 5.486 4.550 0.000 0.000 0.334 264 Y C -0.269 175.567 175.900 -0.107 0.000 1.185 264 Y CA -0.848 57.227 58.100 -0.042 0.000 1.053 264 Y CB 1.364 39.808 38.460 -0.026 0.000 1.298 264 Y HN 0.791 nan 8.280 nan 0.000 0.459 265 G N 0.223 108.976 108.800 -0.078 0.000 2.346 265 G HA2 0.042 4.002 3.960 -0.000 0.000 0.294 265 G HA3 0.042 4.002 3.960 -0.000 0.000 0.294 265 G C -1.275 173.446 174.900 -0.298 0.000 1.294 265 G CA -0.363 44.582 45.100 -0.259 0.000 0.962 265 G HN 1.018 nan 8.290 nan 0.000 0.508 266 H N -0.068 118.987 119.070 -0.026 0.000 2.549 266 H HA 0.435 4.990 4.556 -0.001 0.000 0.279 266 H C 1.668 176.960 175.328 -0.061 0.000 1.018 266 H CA 0.560 56.592 56.048 -0.028 0.000 1.175 266 H CB 0.605 30.362 29.762 -0.008 0.000 1.485 266 H HN 0.705 nan 8.280 nan 0.000 0.543 267 G N 0.210 108.998 108.800 -0.020 0.000 2.508 267 G HA2 0.431 4.391 3.960 -0.000 0.000 0.278 267 G HA3 0.431 4.391 3.960 -0.000 0.000 0.278 267 G C -0.775 174.038 174.900 -0.144 0.000 1.389 267 G CA -0.317 44.745 45.100 -0.063 0.000 1.050 267 G HN 0.119 nan 8.290 nan 0.000 0.522 268 V N -0.934 118.877 119.914 -0.173 0.000 2.808 268 V HA 0.431 4.551 4.120 -0.000 0.000 0.308 268 V C -0.655 175.252 176.094 -0.312 0.000 1.099 268 V CA -0.647 61.510 62.300 -0.239 0.000 0.920 268 V CB 1.982 33.717 31.823 -0.146 0.000 1.014 268 V HN 0.484 nan 8.190 nan 0.000 0.425 269 V N 3.300 122.924 119.914 -0.484 0.000 2.334 269 V HA 0.455 4.575 4.120 -0.000 0.000 0.281 269 V C -0.580 175.183 176.094 -0.552 0.000 1.016 269 V CA -0.304 61.681 62.300 -0.525 0.000 0.832 269 V CB 1.556 32.985 31.823 -0.656 0.000 0.999 269 V HN 0.911 nan 8.190 nan 0.000 0.439 270 D N 3.836 123.917 120.400 -0.531 0.000 2.344 270 D HA 0.334 4.974 4.640 -0.000 0.000 0.239 270 D C 0.084 176.021 176.300 -0.606 0.000 1.064 270 D CA -0.423 53.268 54.000 -0.515 0.000 0.829 270 D CB 1.575 42.052 40.800 -0.537 0.000 1.129 270 D HN 0.371 nan 8.370 nan 0.000 0.506 271 F N 1.543 121.356 119.950 -0.229 0.000 2.773 271 F HA 0.206 4.732 4.527 -0.002 0.000 0.304 271 F C 2.149 177.769 175.800 -0.300 0.000 1.129 271 F CA 0.383 58.271 58.000 -0.186 0.000 1.378 271 F CB 0.169 39.192 39.000 0.039 0.000 1.095 271 F HN 0.692 nan 8.300 nan 0.000 0.565 272 G N -0.056 108.510 108.800 -0.389 0.000 2.184 272 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.264 272 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.264 272 G C 1.386 175.785 174.900 -0.834 0.000 0.975 272 G CA 0.168 44.889 45.100 -0.631 0.000 0.642 272 G HN 1.131 nan 8.290 nan 0.000 0.536 273 G N -1.895 106.658 108.800 -0.410 0.000 2.184 273 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.264 273 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.264 273 G C 0.428 175.224 174.900 -0.174 0.000 0.975 273 G CA 0.876 45.836 45.100 -0.234 0.000 0.642 273 G HN 1.468 nan 8.290 nan 0.000 0.536 274 Y N 1.838 122.209 120.300 0.119 0.000 2.425 274 Y HA 0.458 5.010 4.550 0.003 0.000 0.331 274 Y C 1.171 177.096 175.900 0.043 0.000 1.157 274 Y CA -0.587 57.575 58.100 0.103 0.000 1.372 274 Y CB 0.412 38.964 38.460 0.153 0.000 1.253 274 Y HN 0.309 nan 8.280 nan 0.000 0.536 275 E N 1.933 122.243 120.200 0.183 0.000 2.390 275 E HA 0.116 4.466 4.350 -0.000 0.000 0.261 275 E C -0.769 175.876 176.600 0.074 0.000 1.076 275 E CA -0.578 55.876 56.400 0.091 0.000 0.905 275 E CB 0.497 30.248 29.700 0.084 0.000 0.984 275 E HN 0.379 nan 8.360 nan 0.000 0.427 276 F N 0.706 120.655 119.950 -0.002 0.000 2.602 276 F HA 0.011 4.538 4.527 -0.001 0.000 0.367 276 F C 1.608 177.388 175.800 -0.033 0.000 1.126 276 F CA 0.882 58.855 58.000 -0.046 0.000 1.321 276 F CB 0.606 39.541 39.000 -0.109 0.000 1.094 276 F HN 0.603 nan 8.300 nan 0.000 0.594 277 G N 1.779 110.710 108.800 0.217 0.000 2.494 277 G HA2 0.391 4.350 3.960 -0.000 0.000 0.216 277 G HA3 0.391 4.350 3.960 -0.000 0.000 0.216 277 G C -0.106 174.828 174.900 0.057 0.000 1.140 277 G CA 0.735 45.897 45.100 0.103 0.000 0.801 277 G HN 0.854 nan 8.290 nan 0.000 0.536 278 A N -1.026 121.823 122.820 0.048 0.000 2.589 278 A HA 0.622 4.942 4.320 -0.000 0.000 0.296 278 A C 0.827 178.296 177.584 -0.192 0.000 1.062 278 A CA 0.184 52.188 52.037 -0.055 0.000 0.686 278 A CB 0.751 19.723 19.000 -0.047 0.000 1.282 278 A HN 0.006 nan 8.150 nan 0.000 0.404 279 S N 0.461 116.020 115.700 -0.234 0.000 2.419 279 S HA -0.139 4.331 4.470 -0.000 0.000 0.233 279 S C 2.018 176.387 174.600 -0.385 0.000 1.016 279 S CA 1.916 59.898 58.200 -0.363 0.000 0.974 279 S CB -0.204 62.847 63.200 -0.249 0.000 0.786 279 S HN 1.318 nan 8.310 nan 0.000 0.492 280 S N 0.808 116.359 115.700 -0.249 0.000 2.522 280 S HA 0.065 4.535 4.470 -0.000 0.000 0.227 280 S C 0.599 175.084 174.600 -0.193 0.000 0.986 280 S CA -0.055 58.026 58.200 -0.198 0.000 0.929 280 S CB -0.247 62.878 63.200 -0.124 0.000 0.769 280 S HN 0.487 nan 8.310 nan 0.000 0.529 281 Q N 0.597 120.271 119.800 -0.209 0.000 2.417 281 Q HA 0.529 4.869 4.340 -0.000 0.000 0.241 281 Q C -0.739 175.198 176.000 -0.104 0.000 1.008 281 Q CA 0.100 55.861 55.803 -0.071 0.000 0.901 281 Q CB 0.678 29.499 28.738 0.140 0.000 1.259 281 Q HN 0.409 nan 8.270 nan 0.000 0.489 282 L N 1.384 122.629 121.223 0.036 0.000 2.362 282 L HA 0.627 4.967 4.340 -0.000 0.000 0.271 282 L C -0.423 176.470 176.870 0.037 0.000 1.002 282 L CA -0.701 54.147 54.840 0.013 0.000 0.818 282 L CB 1.837 43.910 42.059 0.023 0.000 1.298 282 L HN 0.489 nan 8.230 nan 0.000 0.420 283 R N 1.613 122.083 120.500 -0.050 0.000 2.621 283 R HA 0.529 4.869 4.340 -0.000 0.000 0.284 283 R C -1.338 174.930 176.300 -0.053 0.000 0.998 283 R CA -0.868 55.043 56.100 -0.315 0.000 0.895 283 R CB 2.327 32.078 30.300 -0.914 0.000 1.195 283 R HN 0.488 nan 8.270 nan 0.000 0.450 284 N N -0.270 118.511 118.700 0.135 0.000 2.494 284 N HA 0.378 5.118 4.740 -0.000 0.000 0.270 284 N C -0.081 175.694 175.510 0.441 0.000 1.285 284 N CA -0.270 52.966 53.050 0.309 0.000 0.812 284 N CB 2.079 40.802 38.487 0.393 0.000 1.557 284 N HN 0.541 nan 8.380 nan 0.000 0.487 285 G N -0.144 108.947 108.800 0.486 0.000 2.508 285 G HA2 0.167 4.127 3.960 -0.000 0.000 0.212 285 G HA3 0.167 4.127 3.960 -0.000 0.000 0.212 285 G C -0.544 174.638 174.900 0.470 0.000 1.206 285 G CA 0.480 45.995 45.100 0.690 0.000 0.822 285 G HN 0.355 nan 8.290 nan 0.000 0.550 286 V N 1.124 121.170 119.914 0.219 0.000 2.443 286 V HA 0.688 4.808 4.120 -0.000 0.000 0.293 286 V C -0.406 175.586 176.094 -0.170 0.000 1.021 286 V CA -0.924 61.372 62.300 -0.006 0.000 0.848 286 V CB 1.271 32.902 31.823 -0.321 0.000 0.998 286 V HN 0.497 nan 8.190 nan 0.000 0.424 287 A N 3.964 126.721 122.820 -0.105 0.000 2.341 287 A HA 0.656 4.976 4.320 -0.000 0.000 0.326 287 A C 0.341 177.786 177.584 -0.231 0.000 1.402 287 A CA -0.270 51.670 52.037 -0.163 0.000 0.957 287 A CB -0.068 18.916 19.000 -0.026 0.000 1.151 287 A HN 0.660 nan 8.150 nan 0.000 0.533 288 F N 2.254 122.068 119.950 -0.227 0.000 2.407 288 F HA 0.218 4.745 4.527 -0.000 0.000 0.299 288 F C 1.913 177.421 175.800 -0.486 0.000 1.097 288 F CA 0.930 58.768 58.000 -0.269 0.000 1.422 288 F CB -0.452 38.422 39.000 -0.211 0.000 1.067 288 F HN 0.906 nan 8.300 nan 0.000 0.539 289 G N 0.127 108.564 108.800 -0.605 0.000 2.488 289 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.237 289 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.237 289 G C 0.012 174.588 174.900 -0.541 0.000 1.209 289 G CA -0.556 43.703 45.100 -1.401 0.000 0.929 289 G HN 0.215 nan 8.290 nan 0.000 0.578 290 R N 1.531 121.842 120.500 -0.315 0.000 2.612 290 R HA 0.457 4.797 4.340 -0.000 0.000 0.273 290 R C 0.137 176.413 176.300 -0.040 0.000 1.376 290 R CA 0.602 56.716 56.100 0.024 0.000 1.171 290 R CB 0.174 30.597 30.300 0.205 0.000 1.151 290 R HN 0.700 nan 8.270 nan 0.000 0.560 291 S N 1.738 117.269 115.700 -0.281 0.000 2.449 291 S HA 0.458 4.928 4.470 -0.000 0.000 0.310 291 S C -0.843 173.464 174.600 -0.489 0.000 1.096 291 S CA -0.852 57.177 58.200 -0.286 0.000 1.095 291 S CB 0.864 63.910 63.200 -0.257 0.000 1.007 291 S HN 0.367 nan 8.310 nan 0.000 0.474 292 Y N 1.518 121.722 120.300 -0.159 0.000 2.326 292 Y HA 0.496 5.045 4.550 -0.001 0.000 0.329 292 Y C 0.453 176.256 175.900 -0.162 0.000 0.973 292 Y CA -0.836 57.193 58.100 -0.118 0.000 1.162 292 Y CB 1.323 39.752 38.460 -0.051 0.000 1.147 292 Y HN 0.929 nan 8.280 nan 0.000 0.456 293 N N 1.314 119.990 118.700 -0.041 0.000 2.726 293 N HA -0.181 4.558 4.740 -0.000 0.000 0.253 293 N C -1.832 173.523 175.510 -0.258 0.000 1.059 293 N CA 0.387 53.421 53.050 -0.026 0.000 0.701 293 N CB -1.174 37.359 38.487 0.076 0.000 0.899 293 N HN 0.585 nan 8.380 nan 0.000 0.548 294 C N 0.495 119.535 119.300 -0.433 0.000 2.614 294 C HA 0.944 5.404 4.460 -0.000 0.000 0.320 294 C C 0.195 174.902 174.990 -0.471 0.000 1.200 294 C CA -0.161 58.355 59.018 -0.838 0.000 1.700 294 C CB 1.621 28.414 27.740 -1.579 0.000 2.275 294 C HN 0.739 nan 8.230 nan 0.000 0.492 295 S N 0.389 115.968 115.700 -0.201 0.000 2.565 295 S HA 0.815 5.285 4.470 -0.000 0.000 0.269 295 S C -1.663 173.216 174.600 0.466 0.000 1.153 295 S CA -0.613 57.760 58.200 0.287 0.000 0.835 295 S CB 0.987 64.441 63.200 0.422 0.000 1.122 295 S HN 0.616 nan 8.310 nan 0.000 0.462 296 V N 1.518 121.700 119.914 0.446 0.000 2.487 296 V HA 0.779 4.898 4.120 -0.000 0.000 0.298 296 V C -0.588 175.687 176.094 0.301 0.000 1.028 296 V CA -0.372 62.152 62.300 0.373 0.000 0.860 296 V CB 1.631 33.678 31.823 0.373 0.000 0.991 296 V HN 1.065 nan 8.190 nan 0.000 0.427 297 T N 2.559 117.261 114.554 0.246 0.000 2.928 297 T HA 0.626 4.976 4.350 -0.000 0.000 0.296 297 T C 0.792 175.563 174.700 0.118 0.000 1.000 297 T CA 0.287 62.495 62.100 0.180 0.000 0.989 297 T CB 1.413 70.367 68.868 0.143 0.000 1.005 297 T HN 1.399 nan 8.240 nan 0.000 0.442 298 G N 2.676 111.520 108.800 0.075 0.000 2.199 298 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.254 298 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.254 298 G C 0.146 175.025 174.900 -0.034 0.000 0.982 298 G CA -0.410 44.697 45.100 0.012 0.000 0.632 298 G HN 0.639 nan 8.290 nan 0.000 0.529 299 I N 1.816 122.359 120.570 -0.045 0.000 2.472 299 I HA 0.370 4.540 4.170 -0.000 0.000 0.290 299 I C 0.637 176.613 176.117 -0.234 0.000 1.016 299 I CA 0.080 61.272 61.300 -0.180 0.000 1.348 299 I CB 1.048 38.885 38.000 -0.271 0.000 1.417 299 I HN -0.016 nan 8.210 nan 0.000 0.521 300 T N 6.851 121.229 114.554 -0.293 0.000 2.749 300 T HA 0.473 4.822 4.350 -0.000 0.000 0.287 300 T C -0.415 174.078 174.700 -0.345 0.000 0.970 300 T CA -0.146 61.818 62.100 -0.226 0.000 0.980 300 T CB 0.137 68.935 68.868 -0.116 0.000 0.924 300 T HN 0.105 nan 8.240 nan 0.000 0.456 301 F N 3.772 123.642 119.950 -0.135 0.000 2.411 301 F HA 0.486 5.012 4.527 -0.001 0.000 0.352 301 F C 0.653 176.562 175.800 0.182 0.000 1.123 301 F CA -0.752 57.286 58.000 0.064 0.000 1.044 301 F CB 1.304 40.495 39.000 0.319 0.000 1.135 301 F HN 0.492 nan 8.300 nan 0.000 0.461 302 Q N 1.297 121.275 119.800 0.296 0.000 2.511 302 Q HA 0.431 4.771 4.340 -0.000 0.000 0.289 302 Q C -0.934 175.224 176.000 0.264 0.000 1.021 302 Q CA -1.372 54.586 55.803 0.258 0.000 0.785 302 Q CB 1.912 30.720 28.738 0.116 0.000 1.472 302 Q HN 0.504 nan 8.270 nan 0.000 0.411 303 N N -1.022 117.800 118.700 0.202 0.000 2.725 303 N HA -0.110 4.630 4.740 -0.000 0.000 0.256 303 N C -1.458 174.142 175.510 0.150 0.000 1.087 303 N CA 1.379 54.498 53.050 0.115 0.000 0.690 303 N CB -1.021 37.477 38.487 0.017 0.000 0.891 303 N HN 1.056 nan 8.380 nan 0.000 0.553 304 G N -0.039 108.854 108.800 0.156 0.000 2.687 304 G HA2 0.511 4.471 3.960 -0.000 0.000 0.291 304 G HA3 0.511 4.471 3.960 -0.000 0.000 0.291 304 G C -1.887 172.996 174.900 -0.029 0.000 1.420 304 G CA -0.497 44.656 45.100 0.088 0.000 0.796 304 G HN 0.229 nan 8.290 nan 0.000 0.485 305 D N -0.065 120.263 120.400 -0.120 0.000 2.375 305 D HA 0.488 5.128 4.640 -0.000 0.000 0.259 305 D C -0.141 175.899 176.300 -0.433 0.000 1.235 305 D CA -0.208 53.691 54.000 -0.169 0.000 0.924 305 D CB 1.122 41.854 40.800 -0.114 0.000 1.143 305 D HN 0.580 nan 8.370 nan 0.000 0.529 306 V N 0.345 120.128 119.914 -0.219 0.000 3.102 306 V HA 0.633 4.753 4.120 -0.000 0.000 0.312 306 V C 1.005 177.158 176.094 0.098 0.000 1.135 306 V CA -0.618 61.522 62.300 -0.268 0.000 1.022 306 V CB 1.465 33.013 31.823 -0.457 0.000 1.056 306 V HN 0.258 nan 8.190 nan 0.000 0.436 307 T N 0.026 114.518 114.554 -0.103 0.000 2.852 307 T HA 0.175 4.525 4.350 -0.000 0.000 0.256 307 T C 0.121 174.313 174.700 -0.845 0.000 1.038 307 T CA 1.330 63.099 62.100 -0.552 0.000 1.141 307 T CB -0.083 68.101 68.868 -1.141 0.000 0.869 307 T HN 0.687 nan 8.240 nan 0.000 0.439 308 W N -1.268 119.922 121.300 -0.184 0.000 3.031 308 W HA 0.701 5.360 4.660 -0.001 0.000 0.337 308 W C 0.674 177.107 176.519 -0.144 0.000 1.187 308 W CA -1.334 55.851 57.345 -0.267 0.000 1.166 308 W CB 1.307 30.654 29.460 -0.188 0.000 1.437 308 W HN 0.045 nan 8.180 nan 0.000 0.551 309 A N 0.996 123.879 122.820 0.105 0.000 1.911 309 A HA 0.379 4.698 4.320 -0.000 0.000 0.212 309 A C 0.475 178.031 177.584 -0.047 0.000 1.189 309 A CA 1.063 53.147 52.037 0.078 0.000 0.639 309 A CB 0.164 19.202 19.000 0.063 0.000 0.839 309 A HN 0.425 nan 8.150 nan 0.000 0.449 310 I N 0.267 120.780 120.570 -0.095 0.000 2.607 310 I HA 0.328 4.498 4.170 -0.000 0.000 0.290 310 I C -0.794 175.220 176.117 -0.170 0.000 1.129 310 I CA -0.541 60.667 61.300 -0.153 0.000 1.042 310 I CB 2.640 40.538 38.000 -0.171 0.000 1.242 310 I HN 0.162 nan 8.210 nan 0.000 0.421 311 T N 4.372 118.782 114.554 -0.240 0.000 2.841 311 T HA 0.780 5.130 4.350 -0.000 0.000 0.283 311 T C -0.792 173.804 174.700 -0.173 0.000 1.000 311 T CA -0.776 61.138 62.100 -0.309 0.000 0.977 311 T CB 1.513 70.034 68.868 -0.579 0.000 0.979 311 T HN 0.363 nan 8.240 nan 0.000 0.446 312 L N 2.789 123.942 121.223 -0.117 0.000 2.333 312 L HA 0.738 5.077 4.340 -0.000 0.000 0.280 312 L C 0.983 177.794 176.870 -0.098 0.000 1.004 312 L CA -0.578 54.231 54.840 -0.051 0.000 0.820 312 L CB 1.081 43.096 42.059 -0.074 0.000 1.247 312 L HN 1.307 nan 8.230 nan 0.000 0.416 313 G N 1.789 110.529 108.800 -0.100 0.000 2.828 313 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.463 313 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.463 313 G C -1.738 173.215 174.900 0.089 0.000 1.394 313 G CA -0.294 44.760 45.100 -0.078 0.000 0.862 313 G HN 0.874 nan 8.290 nan 0.000 0.540 314 W N 0.963 122.264 121.300 0.001 0.000 2.934 314 W HA 0.581 5.242 4.660 0.001 0.000 0.333 314 W C 0.120 176.743 176.519 0.172 0.000 1.035 314 W CA -0.381 57.041 57.345 0.128 0.000 1.256 314 W CB 0.568 30.227 29.460 0.331 0.000 1.306 314 W HN 1.059 nan 8.180 nan 0.000 0.430 315 N N 4.271 122.606 118.700 -0.609 0.000 2.707 315 N HA -0.184 4.555 4.740 -0.000 0.000 0.253 315 N C 0.977 176.241 175.510 -0.409 0.000 0.998 315 N CA 2.549 55.216 53.050 -0.639 0.000 0.751 315 N CB -1.211 36.558 38.487 -1.197 0.000 0.920 315 N HN 1.432 nan 8.380 nan 0.000 0.539 316 G N -2.597 106.038 108.800 -0.274 0.000 2.195 316 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.246 316 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.246 316 G C -0.186 174.531 174.900 -0.306 0.000 0.984 316 G CA 0.218 45.139 45.100 -0.298 0.000 0.633 316 G HN 0.437 nan 8.290 nan 0.000 0.525 317 Y N 1.305 121.587 120.300 -0.030 0.000 2.365 317 Y HA 0.507 5.057 4.550 -0.000 0.000 0.340 317 Y C 1.074 176.850 175.900 -0.206 0.000 1.016 317 Y CA 0.800 58.928 58.100 0.047 0.000 1.196 317 Y CB 1.370 39.991 38.460 0.268 0.000 1.167 317 Y HN 1.005 nan 8.280 nan 0.000 0.509 318 G N 0.990 109.520 108.800 -0.450 0.000 2.351 318 G HA2 0.352 4.312 3.960 -0.000 0.000 0.353 318 G HA3 0.352 4.312 3.960 -0.000 0.000 0.353 318 G C -1.399 173.102 174.900 -0.665 0.000 1.358 318 G CA -0.554 43.876 45.100 -1.117 0.000 0.995 318 G HN 0.683 nan 8.290 nan 0.000 0.611 319 S N -1.097 114.285 115.700 -0.531 0.000 2.565 319 S HA 0.568 5.038 4.470 -0.000 0.000 0.274 319 S C 0.002 174.514 174.600 -0.147 0.000 1.144 319 S CA 0.439 58.564 58.200 -0.124 0.000 0.849 319 S CB 0.700 63.998 63.200 0.164 0.000 1.103 319 S HN 1.886 nan 8.310 nan 0.000 0.455 320 N N 0.655 119.278 118.700 -0.129 0.000 2.696 320 N HA -0.165 4.575 4.740 -0.000 0.000 0.256 320 N C -0.899 174.238 175.510 -0.621 0.000 1.031 320 N CA 0.772 53.669 53.050 -0.255 0.000 0.730 320 N CB -1.604 36.951 38.487 0.113 0.000 0.894 320 N HN 0.476 nan 8.380 nan 0.000 0.544 321 C N 1.345 120.117 119.300 -0.880 0.000 2.379 321 C HA 0.658 5.118 4.460 -0.000 0.000 0.323 321 C C -0.245 174.258 174.990 -0.811 0.000 1.262 321 C CA -0.611 58.005 59.018 -0.669 0.000 1.581 321 C CB -0.095 27.422 27.740 -0.373 0.000 2.221 321 C HN 0.361 nan 8.230 nan 0.000 0.497 322 Y N 1.036 121.377 120.300 0.069 0.000 2.504 322 Y HA 0.621 5.171 4.550 -0.000 0.000 0.344 322 Y C -0.330 175.672 175.900 0.170 0.000 1.023 322 Y CA -1.018 57.143 58.100 0.102 0.000 1.020 322 Y CB 1.345 39.903 38.460 0.162 0.000 1.282 322 Y HN 0.322 nan 8.280 nan 0.000 0.454 323 V N 3.925 124.034 119.914 0.324 0.000 2.407 323 V HA 0.632 4.752 4.120 -0.000 0.000 0.291 323 V C -0.518 175.773 176.094 0.329 0.000 1.018 323 V CA -0.930 61.562 62.300 0.320 0.000 0.842 323 V CB 1.478 33.476 31.823 0.291 0.000 0.996 323 V HN 0.722 nan 8.190 nan 0.000 0.426 324 R N 3.506 124.181 120.500 0.292 0.000 2.621 324 R HA 0.520 4.860 4.340 -0.000 0.000 0.284 324 R C -0.327 176.087 176.300 0.191 0.000 0.998 324 R CA -0.980 55.267 56.100 0.244 0.000 0.895 324 R CB 1.993 32.413 30.300 0.199 0.000 1.195 324 R HN 0.657 nan 8.270 nan 0.000 0.450 325 K N 0.179 120.684 120.400 0.174 0.000 3.069 325 K HA -0.203 4.117 4.320 -0.000 0.000 0.267 325 K C -0.605 176.043 176.600 0.079 0.000 1.082 325 K CA 0.585 56.945 56.287 0.121 0.000 0.782 325 K CB -1.752 30.803 32.500 0.093 0.000 1.230 325 K HN 0.558 nan 8.250 nan 0.000 0.488 326 C N 0.535 119.878 119.300 0.071 0.000 2.351 326 C HA 0.477 4.937 4.460 -0.000 0.000 0.359 326 C C 0.839 175.669 174.990 -0.266 0.000 1.193 326 C CA -0.826 58.127 59.018 -0.110 0.000 2.270 326 C CB 0.940 28.601 27.740 -0.132 0.000 2.369 326 C HN 0.312 nan 8.230 nan 0.000 0.553 327 R N 0.755 121.024 120.500 -0.385 0.000 2.589 327 R HA 0.642 4.982 4.340 -0.000 0.000 0.293 327 R C -1.786 174.198 176.300 -0.527 0.000 0.963 327 R CA -0.275 55.689 56.100 -0.226 0.000 0.905 327 R CB 1.310 31.651 30.300 0.067 0.000 1.144 327 R HN 0.562 nan 8.270 nan 0.000 0.459 328 F N 3.140 123.159 119.950 0.115 0.000 2.553 328 F HA 0.488 5.015 4.527 -0.001 0.000 0.335 328 F C -0.184 175.762 175.800 0.242 0.000 1.148 328 F CA -0.594 57.535 58.000 0.216 0.000 0.963 328 F CB 1.271 40.367 39.000 0.161 0.000 1.217 328 F HN 0.192 nan 8.300 nan 0.000 0.441 329 I N 3.895 124.694 120.570 0.381 0.000 2.468 329 I HA 0.307 4.477 4.170 -0.000 0.000 0.285 329 I C -0.735 175.522 176.117 0.234 0.000 1.039 329 I CA -0.882 60.591 61.300 0.288 0.000 1.074 329 I CB 1.569 39.724 38.000 0.258 0.000 1.228 329 I HN 0.539 nan 8.210 nan 0.000 0.436 330 N N 5.855 124.655 118.700 0.168 0.000 2.681 330 N HA -0.156 4.583 4.740 -0.000 0.000 0.259 330 N C -0.083 175.477 175.510 0.084 0.000 1.066 330 N CA 0.634 53.739 53.050 0.092 0.000 0.717 330 N CB -0.721 37.823 38.487 0.095 0.000 0.885 330 N HN 0.612 nan 8.380 nan 0.000 0.547 331 L N -1.134 120.106 121.223 0.028 0.000 2.728 331 L HA 0.264 4.604 4.340 -0.000 0.000 0.238 331 L C 0.174 176.939 176.870 -0.175 0.000 1.143 331 L CA 0.088 54.925 54.840 -0.004 0.000 0.937 331 L CB 0.614 42.754 42.059 0.134 0.000 1.225 331 L HN -0.013 nan 8.230 nan 0.000 0.507 332 V N 0.874 120.674 119.914 -0.190 0.000 2.577 332 V HA 0.279 4.398 4.120 -0.000 0.000 0.303 332 V C -0.280 175.818 176.094 0.006 0.000 1.042 332 V CA -0.442 61.782 62.300 -0.126 0.000 0.872 332 V CB 1.884 33.585 31.823 -0.204 0.000 0.998 332 V HN 0.409 nan 8.190 nan 0.000 0.423 333 N N 1.356 120.093 118.700 0.061 0.000 2.036 333 N HA 0.112 4.852 4.740 -0.000 0.000 0.228 333 N C -0.133 175.478 175.510 0.168 0.000 1.368 333 N CA 0.327 53.466 53.050 0.149 0.000 0.846 333 N CB 0.970 39.511 38.487 0.090 0.000 1.145 333 N HN 0.607 nan 8.380 nan 0.000 0.502 334 S N -1.102 114.547 115.700 -0.085 0.000 2.627 334 S HA 0.503 4.973 4.470 -0.000 0.000 0.283 334 S C 0.646 174.571 174.600 -1.126 0.000 1.127 334 S CA -0.007 57.902 58.200 -0.485 0.000 0.863 334 S CB 1.277 64.370 63.200 -0.178 0.000 1.121 334 S HN 0.190 nan 8.310 nan 0.000 0.479 335 S N 0.727 115.625 115.700 -1.336 0.000 2.481 335 S HA -0.028 4.442 4.470 -0.000 0.000 0.231 335 S C 1.521 175.880 174.600 -0.402 0.000 0.996 335 S CA 0.833 58.474 58.200 -0.931 0.000 0.942 335 S CB -0.726 62.162 63.200 -0.519 0.000 0.768 335 S HN 0.655 nan 8.310 nan 0.000 0.520 336 V N 2.074 121.811 119.914 -0.295 0.000 2.548 336 V HA -0.001 4.119 4.120 -0.000 0.000 0.249 336 V C 1.284 177.240 176.094 -0.229 0.000 1.055 336 V CA 0.770 62.960 62.300 -0.182 0.000 1.065 336 V CB -1.164 30.611 31.823 -0.079 0.000 0.681 336 V HN 0.530 nan 8.190 nan 0.000 0.462 337 N N 1.068 119.660 118.700 -0.181 0.000 2.414 337 N HA 0.030 4.770 4.740 -0.000 0.000 0.268 337 N C 0.956 176.314 175.510 -0.254 0.000 1.286 337 N CA 0.768 53.692 53.050 -0.210 0.000 0.896 337 N CB 1.520 40.025 38.487 0.030 0.000 1.093 337 N HN 0.301 nan 8.380 nan 0.000 0.480 338 A N 2.911 125.509 122.820 -0.371 0.000 1.968 338 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 338 A C 0.405 177.891 177.584 -0.163 0.000 1.169 338 A CA 1.049 52.932 52.037 -0.257 0.000 0.638 338 A CB 0.091 18.908 19.000 -0.304 0.000 0.812 338 A HN 0.728 nan 8.150 nan 0.000 0.446 339 D N -3.968 116.332 120.400 -0.166 0.000 2.751 339 D HA 0.368 5.008 4.640 -0.000 0.000 0.236 339 D C -1.634 174.619 176.300 -0.079 0.000 1.196 339 D CA -0.326 53.620 54.000 -0.091 0.000 0.741 339 D CB 0.687 41.414 40.800 -0.122 0.000 1.474 339 D HN 0.283 nan 8.370 nan 0.000 0.452 340 H N -0.049 118.960 119.070 -0.101 0.000 2.947 340 H HA 0.655 5.210 4.556 -0.001 0.000 0.354 340 H C -1.595 173.753 175.328 0.034 0.000 1.085 340 H CA -0.355 55.633 56.048 -0.099 0.000 1.253 340 H CB 1.268 31.001 29.762 -0.048 0.000 1.757 340 H HN 0.222 nan 8.280 nan 0.000 0.523 341 S N 2.971 118.456 115.700 -0.360 0.000 2.594 341 S HA 0.226 4.695 4.470 -0.000 0.000 0.296 341 S C 0.387 174.845 174.600 -0.236 0.000 1.124 341 S CA -0.318 57.839 58.200 -0.072 0.000 1.011 341 S CB 1.746 65.045 63.200 0.164 0.000 1.016 341 S HN 0.680 nan 8.310 nan 0.000 0.485 342 T N 2.047 116.548 114.554 -0.089 0.000 2.708 342 T HA 0.028 4.378 4.350 -0.000 0.000 0.266 342 T C 0.550 175.156 174.700 -0.156 0.000 1.037 342 T CA 1.178 63.250 62.100 -0.047 0.000 1.146 342 T CB -0.155 68.841 68.868 0.214 0.000 0.865 342 T HN 0.629 nan 8.240 nan 0.000 0.435 343 V N 0.935 120.748 119.914 -0.169 0.000 2.483 343 V HA 0.434 4.554 4.120 -0.000 0.000 0.297 343 V C -1.471 174.555 176.094 -0.113 0.000 1.027 343 V CA -1.231 60.971 62.300 -0.164 0.000 0.855 343 V CB 1.561 33.267 31.823 -0.195 0.000 0.995 343 V HN 0.319 nan 8.190 nan 0.000 0.424 344 Y N 4.490 124.628 120.300 -0.271 0.000 2.356 344 Y HA 0.623 5.174 4.550 0.000 0.000 0.334 344 Y C -0.255 175.451 175.900 -0.324 0.000 0.958 344 Y CA -0.735 57.168 58.100 -0.329 0.000 1.196 344 Y CB 1.742 39.880 38.460 -0.538 0.000 1.137 344 Y HN 0.423 nan 8.280 nan 0.000 0.485 345 V N 6.537 126.333 119.914 -0.196 0.000 2.334 345 V HA 0.197 4.316 4.120 -0.000 0.000 0.267 345 V C 0.048 176.051 176.094 -0.151 0.000 1.040 345 V CA -0.472 61.722 62.300 -0.177 0.000 0.866 345 V CB 0.760 32.445 31.823 -0.230 0.000 1.019 345 V HN 0.738 nan 8.190 nan 0.000 0.468 346 N N 3.241 121.883 118.700 -0.096 0.000 2.416 346 N HA 0.247 4.986 4.740 -0.000 0.000 0.267 346 N C -0.568 174.857 175.510 -0.143 0.000 1.294 346 N CA -0.139 52.865 53.050 -0.077 0.000 0.891 346 N CB 0.564 39.049 38.487 -0.004 0.000 1.238 346 N HN 0.818 nan 8.380 nan 0.000 0.508 347 C N -1.095 118.082 119.300 -0.206 0.000 2.994 347 C HA 0.753 5.213 4.460 -0.000 0.000 0.305 347 C C -2.649 172.127 174.990 -0.356 0.000 1.251 347 C CA -1.946 56.913 59.018 -0.266 0.000 1.478 347 C CB 2.227 29.803 27.740 -0.274 0.000 1.922 347 C HN 0.124 nan 8.230 nan 0.000 0.472 348 P HA 0.223 nan 4.420 nan 0.000 0.274 348 P C -0.962 176.061 177.300 -0.462 0.000 1.256 348 P CA 0.557 63.194 63.100 -0.772 0.000 0.795 348 P CB 0.052 30.918 31.700 -1.390 0.000 1.038 349 Y N -3.017 117.149 120.300 -0.223 0.000 3.168 349 Y HA -0.170 4.380 4.550 -0.001 0.000 0.207 349 Y C 0.174 176.033 175.900 -0.068 0.000 1.280 349 Y CA 0.691 58.774 58.100 -0.028 0.000 1.235 349 Y CB -2.759 35.712 38.460 0.018 0.000 1.370 349 Y HN 0.197 nan 8.280 nan 0.000 0.537 350 S N -1.481 114.164 115.700 -0.093 0.000 2.607 350 S HA 0.939 5.409 4.470 -0.000 0.000 0.273 350 S C 0.364 174.629 174.600 -0.557 0.000 1.148 350 S CA -0.500 57.470 58.200 -0.384 0.000 0.833 350 S CB 2.677 65.626 63.200 -0.417 0.000 1.130 350 S HN 0.961 nan 8.310 nan 0.000 0.470 351 G N -0.208 108.200 108.800 -0.652 0.000 2.321 351 G HA2 0.502 4.462 3.960 -0.000 0.000 0.296 351 G HA3 0.502 4.462 3.960 -0.000 0.000 0.296 351 G C -2.310 172.343 174.900 -0.412 0.000 1.287 351 G CA -0.413 44.065 45.100 -1.036 0.000 0.846 351 G HN 0.780 nan 8.290 nan 0.000 0.508 352 V N 0.387 120.180 119.914 -0.202 0.000 2.531 352 V HA 0.759 4.879 4.120 -0.000 0.000 0.301 352 V C -0.448 175.939 176.094 0.487 0.000 1.034 352 V CA -0.516 61.916 62.300 0.220 0.000 0.865 352 V CB 1.609 33.546 31.823 0.190 0.000 0.995 352 V HN 0.922 nan 8.190 nan 0.000 0.424 353 E N 2.253 122.739 120.200 0.476 0.000 2.308 353 E HA 0.524 4.874 4.350 -0.000 0.000 0.275 353 E C -0.303 176.498 176.600 0.335 0.000 0.890 353 E CA -0.405 56.255 56.400 0.432 0.000 0.754 353 E CB 1.960 31.911 29.700 0.419 0.000 1.207 353 E HN 0.672 nan 8.360 nan 0.000 0.426 354 S N 0.949 116.821 115.700 0.287 0.000 3.706 354 S HA -0.186 4.284 4.470 -0.000 0.000 0.363 354 S C -0.268 174.487 174.600 0.258 0.000 0.999 354 S CA 0.776 59.116 58.200 0.233 0.000 1.143 354 S CB -2.077 61.223 63.200 0.166 0.000 0.902 354 S HN 0.551 nan 8.310 nan 0.000 0.476 355 C N 0.691 120.200 119.300 0.348 0.000 2.505 355 C HA 0.832 5.292 4.460 -0.000 0.000 0.358 355 C C 0.108 175.289 174.990 0.319 0.000 1.226 355 C CA -0.826 58.365 59.018 0.289 0.000 1.900 355 C CB 1.129 29.045 27.740 0.294 0.000 2.306 355 C HN 0.658 nan 8.230 nan 0.000 0.512 356 Y N 0.727 121.025 120.300 -0.003 0.000 2.391 356 Y HA 0.714 5.264 4.550 -0.001 0.000 0.341 356 Y C -1.494 174.417 175.900 0.019 0.000 0.965 356 Y CA -1.129 57.034 58.100 0.105 0.000 1.067 356 Y CB 0.693 39.212 38.460 0.099 0.000 1.199 356 Y HN 0.593 nan 8.280 nan 0.000 0.450 357 F N 3.925 123.709 119.950 -0.275 0.000 2.507 357 F HA 0.582 5.109 4.527 -0.001 0.000 0.328 357 F C -0.184 175.473 175.800 -0.237 0.000 1.136 357 F CA -0.660 57.286 58.000 -0.090 0.000 0.930 357 F CB 2.177 41.084 39.000 -0.154 0.000 1.166 357 F HN 0.415 nan 8.300 nan 0.000 0.436 358 S N 4.797 120.579 115.700 0.136 0.000 2.547 358 S HA 0.835 5.305 4.470 -0.000 0.000 0.281 358 S C -1.074 173.670 174.600 0.239 0.000 1.118 358 S CA -0.613 57.688 58.200 0.167 0.000 0.947 358 S CB 0.866 64.099 63.200 0.055 0.000 1.053 358 S HN 0.520 nan 8.310 nan 0.000 0.482 359 M N 3.027 122.718 119.600 0.152 0.000 2.591 359 M HA 0.379 4.859 4.480 -0.000 0.000 0.306 359 M C 0.497 176.815 176.300 0.030 0.000 1.190 359 M CA -0.557 54.733 55.300 -0.016 0.000 0.889 359 M CB 1.922 34.354 32.600 -0.279 0.000 1.728 359 M HN 0.785 nan 8.290 nan 0.000 0.458 360 S N -0.973 114.730 115.700 0.005 0.000 2.549 360 S HA 0.120 4.590 4.470 -0.000 0.000 0.225 360 S C 0.713 175.281 174.600 -0.054 0.000 1.039 360 S CA -0.295 57.907 58.200 0.003 0.000 0.942 360 S CB 0.322 63.540 63.200 0.030 0.000 0.881 360 S HN 0.655 nan 8.310 nan 0.000 0.503 361 S N 2.246 117.906 115.700 -0.068 0.000 2.580 361 S HA 0.338 4.808 4.470 -0.000 0.000 0.274 361 S C 1.505 175.971 174.600 -0.223 0.000 1.329 361 S CA 0.133 58.266 58.200 -0.111 0.000 1.036 361 S CB 0.990 64.200 63.200 0.017 0.000 0.919 361 S HN 0.556 nan 8.310 nan 0.000 0.515 362 S N 4.283 119.741 115.700 -0.403 0.000 2.383 362 S HA -0.131 4.338 4.470 -0.000 0.000 0.229 362 S C 1.477 175.846 174.600 -0.386 0.000 1.030 362 S CA 1.259 59.183 58.200 -0.460 0.000 1.002 362 S CB -0.870 61.981 63.200 -0.583 0.000 0.829 362 S HN 0.736 nan 8.310 nan 0.000 0.467 363 F N 2.792 122.698 119.950 -0.073 0.000 2.171 363 F HA 0.162 4.689 4.527 0.000 0.000 0.300 363 F C 2.886 178.641 175.800 -0.075 0.000 1.090 363 F CA 0.240 58.204 58.000 -0.059 0.000 1.293 363 F CB -1.262 37.711 39.000 -0.046 0.000 1.013 363 F HN 0.329 nan 8.300 nan 0.000 0.486 364 A N 0.354 123.189 122.820 0.026 0.000 1.972 364 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 364 A C 2.260 179.820 177.584 -0.041 0.000 1.169 364 A CA 1.252 53.238 52.037 -0.084 0.000 0.635 364 A CB -0.673 18.187 19.000 -0.232 0.000 0.810 364 A HN 0.350 nan 8.150 nan 0.000 0.446 365 R N -0.479 119.984 120.500 -0.061 0.000 2.285 365 R HA -0.005 4.335 4.340 -0.000 0.000 0.213 365 R C 0.823 177.166 176.300 0.070 0.000 1.068 365 R CA 1.041 57.125 56.100 -0.027 0.000 1.004 365 R CB -0.092 30.016 30.300 -0.320 0.000 0.873 365 R HN 0.495 nan 8.270 nan 0.000 0.467 366 N N 0.191 118.929 118.700 0.063 0.000 2.332 366 N HA 0.051 4.791 4.740 -0.000 0.000 0.190 366 N C 1.553 177.132 175.510 0.116 0.000 1.117 366 N CA 0.648 53.757 53.050 0.098 0.000 0.883 366 N CB 0.772 39.314 38.487 0.091 0.000 1.089 366 N HN 0.307 nan 8.380 nan 0.000 0.480 367 I N -3.203 117.432 120.570 0.109 0.000 4.403 367 I HA 0.503 4.673 4.170 -0.000 0.000 0.331 367 I C 0.230 176.435 176.117 0.148 0.000 1.327 367 I CA -0.348 61.020 61.300 0.112 0.000 1.175 367 I CB 0.614 38.659 38.000 0.075 0.000 1.165 367 I HN -0.231 nan 8.210 nan 0.000 0.413 368 A N 1.216 124.119 122.820 0.137 0.000 2.292 368 A HA 0.665 4.985 4.320 -0.000 0.000 0.319 368 A C -0.659 177.173 177.584 0.412 0.000 1.206 368 A CA -0.473 51.686 52.037 0.203 0.000 0.835 368 A CB 0.903 19.803 19.000 -0.168 0.000 1.164 368 A HN 0.496 nan 8.150 nan 0.000 0.505 369 C N 2.006 121.601 119.300 0.493 0.000 2.493 369 C HA 0.646 5.106 4.460 -0.000 0.000 0.326 369 C C 1.920 177.063 174.990 0.254 0.000 1.200 369 C CA 0.252 59.493 59.018 0.372 0.000 1.739 369 C CB 1.345 29.275 27.740 0.317 0.000 2.300 369 C HN 1.144 nan 8.230 nan 0.000 0.500 370 S N 3.179 118.731 115.700 -0.246 0.000 2.362 370 S HA 0.127 4.597 4.470 -0.000 0.000 0.221 370 S C 0.302 174.466 174.600 -0.727 0.000 1.032 370 S CA 0.684 58.392 58.200 -0.820 0.000 0.973 370 S CB -0.239 62.067 63.200 -1.490 0.000 0.849 370 S HN 0.727 nan 8.310 nan 0.000 0.465 371 V N 1.211 120.739 119.914 -0.645 0.000 3.049 371 V HA 0.539 4.659 4.120 -0.000 0.000 0.309 371 V C -1.360 174.524 176.094 -0.350 0.000 1.148 371 V CA -0.900 61.020 62.300 -0.632 0.000 0.990 371 V CB 2.214 33.296 31.823 -1.236 0.000 1.039 371 V HN 0.400 nan 8.190 nan 0.000 0.430 372 E N 3.343 123.373 120.200 -0.284 0.000 2.256 372 E HA 0.598 4.948 4.350 -0.000 0.000 0.268 372 E C -1.646 174.829 176.600 -0.209 0.000 0.877 372 E CA -0.703 55.575 56.400 -0.204 0.000 0.757 372 E CB 2.911 32.458 29.700 -0.254 0.000 1.183 372 E HN 0.452 nan 8.360 nan 0.000 0.418 373 L N 3.238 124.360 121.223 -0.169 0.000 2.294 373 L HA 0.388 4.727 4.340 -0.000 0.000 0.283 373 L C 0.607 177.349 176.870 -0.213 0.000 1.015 373 L CA -0.388 54.346 54.840 -0.177 0.000 0.831 373 L CB 0.796 42.752 42.059 -0.172 0.000 1.217 373 L HN 0.624 nan 8.230 nan 0.000 0.420 374 H N 1.405 120.278 119.070 -0.327 0.000 3.058 374 H HA 0.293 4.849 4.556 0.000 0.000 0.266 374 H C -0.313 174.877 175.328 -0.230 0.000 1.135 374 H CA -0.157 55.715 56.048 -0.294 0.000 1.174 374 H CB 1.581 31.159 29.762 -0.307 0.000 1.581 374 H HN 0.577 nan 8.280 nan 0.000 0.553 375 Q N 0.418 120.120 119.800 -0.163 0.000 2.501 375 Q HA 0.144 4.484 4.340 -0.000 0.000 0.288 375 Q C -0.489 175.313 176.000 -0.330 0.000 1.051 375 Q CA -0.894 54.768 55.803 -0.235 0.000 0.788 375 Q CB 2.040 30.596 28.738 -0.304 0.000 1.469 375 Q HN 0.502 nan 8.270 nan 0.000 0.416 376 H N -0.838 117.979 119.070 -0.423 0.000 2.852 376 H HA 0.144 4.700 4.556 -0.000 0.000 0.362 376 H C -0.501 174.450 175.328 -0.628 0.000 1.122 376 H CA 0.337 55.976 56.048 -0.682 0.000 1.419 376 H CB 0.285 29.254 29.762 -1.322 0.000 1.401 376 H HN 0.534 nan 8.280 nan 0.000 0.609 377 D N 0.911 121.080 120.400 -0.384 0.000 2.705 377 D HA -0.163 4.477 4.640 -0.000 0.000 0.240 377 D C -0.634 175.594 176.300 -0.120 0.000 1.137 377 D CA 1.332 55.216 54.000 -0.193 0.000 0.677 377 D CB -1.343 39.303 40.800 -0.255 0.000 1.049 377 D HN 0.896 nan 8.370 nan 0.000 0.427 378 T N -1.759 112.747 114.554 -0.080 0.000 2.916 378 T HA 0.809 5.159 4.350 -0.000 0.000 0.292 378 T C -0.264 174.487 174.700 0.086 0.000 1.055 378 T CA -1.049 61.001 62.100 -0.084 0.000 1.009 378 T CB 2.570 71.305 68.868 -0.222 0.000 1.118 378 T HN 0.195 nan 8.240 nan 0.000 0.497 379 F N -0.910 119.069 119.950 0.049 0.000 2.631 379 F HA 0.794 5.321 4.527 0.000 0.000 0.308 379 F C -2.064 173.848 175.800 0.186 0.000 1.097 379 F CA -1.721 56.339 58.000 0.101 0.000 0.952 379 F CB 1.591 40.658 39.000 0.112 0.000 1.307 379 F HN 0.710 nan 8.300 nan 0.000 0.450 380 Y N 2.914 123.351 120.300 0.229 0.000 2.333 380 Y HA 0.675 5.225 4.550 0.000 0.000 0.324 380 Y C -1.402 174.634 175.900 0.225 0.000 1.033 380 Y CA -1.613 56.581 58.100 0.157 0.000 1.224 380 Y CB 1.147 39.604 38.460 -0.005 0.000 1.120 380 Y HN 0.823 nan 8.280 nan 0.000 0.457 381 R N 2.126 122.807 120.500 0.302 0.000 2.795 381 R HA 0.586 4.926 4.340 -0.000 0.000 0.275 381 R C 0.397 176.753 176.300 0.094 0.000 0.981 381 R CA -0.810 55.360 56.100 0.116 0.000 0.917 381 R CB 1.944 32.341 30.300 0.163 0.000 1.202 381 R HN 0.857 nan 8.270 nan 0.000 0.469 382 G N 1.162 109.983 108.800 0.034 0.000 2.249 382 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.273 382 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.273 382 G C -0.326 174.654 174.900 0.133 0.000 1.036 382 G CA 0.668 45.816 45.100 0.079 0.000 0.824 382 G HN 0.453 nan 8.290 nan 0.000 0.504 383 S N -1.101 114.667 115.700 0.113 0.000 2.664 383 S HA 0.838 5.308 4.470 -0.000 0.000 0.304 383 S C 0.046 174.794 174.600 0.247 0.000 1.099 383 S CA -0.338 58.025 58.200 0.272 0.000 1.003 383 S CB 2.110 65.619 63.200 0.514 0.000 1.092 383 S HN 0.374 nan 8.310 nan 0.000 0.525 384 T N 1.662 116.438 114.554 0.369 0.000 2.824 384 T HA 0.611 4.960 4.350 -0.000 0.000 0.282 384 T C -1.040 173.863 174.700 0.338 0.000 0.993 384 T CA -0.440 61.856 62.100 0.326 0.000 0.967 384 T CB 1.217 70.307 68.868 0.371 0.000 0.960 384 T HN 0.330 nan 8.240 nan 0.000 0.441 385 V N 4.060 124.106 119.914 0.221 0.000 2.588 385 V HA 0.582 4.701 4.120 -0.000 0.000 0.304 385 V C -0.269 175.927 176.094 0.170 0.000 1.042 385 V CA -0.918 61.459 62.300 0.129 0.000 0.877 385 V CB 1.884 33.708 31.823 0.001 0.000 0.996 385 V HN 0.901 nan 8.190 nan 0.000 0.425 386 N N 2.428 121.263 118.700 0.225 0.000 2.260 386 N HA 0.525 5.265 4.740 -0.000 0.000 0.293 386 N C 0.572 176.326 175.510 0.407 0.000 1.058 386 N CA 0.336 53.554 53.050 0.280 0.000 0.824 386 N CB 2.148 40.780 38.487 0.241 0.000 1.551 386 N HN 0.995 nan 8.380 nan 0.000 0.475 387 G N 1.113 110.174 108.800 0.434 0.000 2.176 387 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.253 387 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.253 387 G C -0.784 174.325 174.900 0.348 0.000 0.979 387 G CA 0.098 45.440 45.100 0.404 0.000 0.641 387 G HN 0.541 nan 8.290 nan 0.000 0.530 388 Y N -1.107 119.354 120.300 0.269 0.000 2.354 388 Y HA 0.542 5.092 4.550 -0.000 0.000 0.322 388 Y C 1.907 177.974 175.900 0.278 0.000 1.253 388 Y CA -0.346 57.883 58.100 0.215 0.000 1.272 388 Y CB 1.163 39.715 38.460 0.152 0.000 1.255 388 Y HN 0.171 nan 8.280 nan 0.000 0.500 389 C N 1.399 120.912 119.300 0.356 0.000 2.453 389 C HA 0.099 4.559 4.460 -0.000 0.000 0.277 389 C C 0.771 175.912 174.990 0.252 0.000 1.262 389 C CA 0.741 59.936 59.018 0.295 0.000 1.718 389 C CB -0.687 27.185 27.740 0.220 0.000 2.031 389 C HN 0.804 nan 8.230 nan 0.000 0.480 390 R N -1.517 119.127 120.500 0.240 0.000 2.795 390 R HA 0.436 4.776 4.340 -0.000 0.000 0.275 390 R C 0.772 177.091 176.300 0.032 0.000 0.981 390 R CA 0.069 56.224 56.100 0.093 0.000 0.917 390 R CB 1.215 31.512 30.300 -0.006 0.000 1.202 390 R HN 0.265 nan 8.270 nan 0.000 0.469 391 G N 0.563 109.306 108.800 -0.095 0.000 2.518 391 G HA2 0.326 4.285 3.960 -0.000 0.000 0.213 391 G HA3 0.326 4.285 3.960 -0.000 0.000 0.213 391 G C -0.216 174.499 174.900 -0.308 0.000 1.226 391 G CA 0.718 45.703 45.100 -0.192 0.000 0.822 391 G HN 0.632 nan 8.290 nan 0.000 0.546 392 A N -1.450 121.099 122.820 -0.452 0.000 2.517 392 A HA 0.650 4.970 4.320 -0.000 0.000 0.297 392 A C -1.866 175.488 177.584 -0.384 0.000 1.050 392 A CA -0.673 51.152 52.037 -0.353 0.000 0.694 392 A CB 0.856 19.694 19.000 -0.270 0.000 1.277 392 A HN 0.191 nan 8.150 nan 0.000 0.400 393 Y N 0.732 120.879 120.300 -0.255 0.000 2.304 393 Y HA 0.484 5.034 4.550 -0.000 0.000 0.328 393 Y C 0.270 175.978 175.900 -0.320 0.000 1.123 393 Y CA -0.060 57.884 58.100 -0.261 0.000 1.218 393 Y CB 1.814 40.139 38.460 -0.225 0.000 1.207 393 Y HN 0.369 nan 8.280 nan 0.000 0.495 394 V N 5.163 124.962 119.914 -0.191 0.000 2.357 394 V HA 0.552 4.672 4.120 -0.000 0.000 0.281 394 V C -0.843 175.084 176.094 -0.280 0.000 1.015 394 V CA -0.692 61.465 62.300 -0.237 0.000 0.827 394 V CB 1.050 32.762 31.823 -0.184 0.000 1.018 394 V HN 0.587 nan 8.190 nan 0.000 0.432 395 V N 2.409 122.059 119.914 -0.440 0.000 3.087 395 V HA 0.731 4.851 4.120 -0.000 0.000 0.306 395 V C -0.901 174.912 176.094 -0.468 0.000 1.187 395 V CA -0.836 61.169 62.300 -0.492 0.000 0.999 395 V CB 2.594 33.971 31.823 -0.742 0.000 1.049 395 V HN 0.609 nan 8.190 nan 0.000 0.431 396 M N 3.957 123.359 119.600 -0.331 0.000 2.023 396 M HA 0.510 4.990 4.480 -0.000 0.000 0.325 396 M C -1.047 175.139 176.300 -0.189 0.000 0.963 396 M CA -0.308 54.855 55.300 -0.228 0.000 0.928 396 M CB 0.220 32.735 32.600 -0.141 0.000 1.429 396 M HN 0.943 nan 8.290 nan 0.000 0.404 397 H N 3.430 122.436 119.070 -0.107 0.000 2.800 397 H HA 0.290 4.846 4.556 -0.000 0.000 0.291 397 H C 1.144 176.422 175.328 -0.083 0.000 1.076 397 H CA 0.328 56.335 56.048 -0.067 0.000 1.452 397 H CB 1.037 30.807 29.762 0.014 0.000 1.461 397 H HN 0.784 nan 8.280 nan 0.000 0.488 398 A N 4.147 126.980 122.820 0.023 0.000 1.958 398 A HA -0.245 4.075 4.320 -0.000 0.000 0.221 398 A C 2.349 179.915 177.584 -0.031 0.000 1.178 398 A CA 1.926 53.937 52.037 -0.042 0.000 0.642 398 A CB -0.581 18.376 19.000 -0.071 0.000 0.816 398 A HN 0.754 nan 8.150 nan 0.000 0.453 399 A N -0.783 122.022 122.820 -0.024 0.000 2.172 399 A HA -0.058 4.261 4.320 -0.000 0.000 0.216 399 A C 1.549 179.088 177.584 -0.076 0.000 1.154 399 A CA 1.337 53.341 52.037 -0.055 0.000 0.701 399 A CB -0.308 18.638 19.000 -0.090 0.000 0.789 399 A HN 0.661 nan 8.150 nan 0.000 0.465 400 E N -0.837 119.336 120.200 -0.046 0.000 2.499 400 E HA 0.319 4.669 4.350 -0.000 0.000 0.199 400 E C 1.041 177.556 176.600 -0.142 0.000 1.016 400 E CA 0.269 56.600 56.400 -0.114 0.000 0.933 400 E CB 0.402 30.103 29.700 0.003 0.000 1.050 400 E HN 0.521 nan 8.360 nan 0.000 0.462 401 A N 0.828 123.586 122.820 -0.104 0.000 2.278 401 A HA 0.289 4.608 4.320 -0.000 0.000 0.212 401 A C 2.070 179.584 177.584 -0.116 0.000 1.213 401 A CA 0.671 52.656 52.037 -0.088 0.000 0.840 401 A CB -0.132 18.840 19.000 -0.047 0.000 0.866 401 A HN 0.277 nan 8.150 nan 0.000 0.489 402 A N -0.283 122.436 122.820 -0.168 0.000 1.898 402 A HA 0.149 4.469 4.320 -0.000 0.000 0.216 402 A C 2.190 179.578 177.584 -0.327 0.000 1.181 402 A CA 1.772 53.733 52.037 -0.127 0.000 0.620 402 A CB -0.850 18.154 19.000 0.007 0.000 0.819 402 A HN 0.659 nan 8.150 nan 0.000 0.442 403 G N -1.940 106.437 108.800 -0.705 0.000 2.595 403 G HA2 0.333 4.293 3.960 -0.000 0.000 0.213 403 G HA3 0.333 4.293 3.960 -0.000 0.000 0.213 403 G C 0.961 175.592 174.900 -0.448 0.000 1.141 403 G CA 1.006 45.390 45.100 -1.193 0.000 0.806 403 G HN 0.993 nan 8.290 nan 0.000 0.530 404 A N -0.719 121.964 122.820 -0.228 0.000 2.635 404 A HA 0.632 4.951 4.320 -0.000 0.000 0.279 404 A C 0.983 178.632 177.584 0.107 0.000 1.122 404 A CA 0.909 52.944 52.037 -0.003 0.000 0.965 404 A CB -0.064 18.919 19.000 -0.030 0.000 1.221 404 A HN 1.727 nan 8.150 nan 0.000 0.566 405 G N -0.278 108.551 108.800 0.047 0.000 2.757 405 G HA2 0.035 3.995 3.960 -0.000 0.000 0.638 405 G HA3 0.035 3.995 3.960 -0.000 0.000 0.638 405 G C 0.505 175.483 174.900 0.129 0.000 1.344 405 G CA 0.216 45.387 45.100 0.119 0.000 0.855 405 G HN 1.457 nan 8.290 nan 0.000 0.537 406 S N -1.069 114.736 115.700 0.174 0.000 2.597 406 S HA 0.448 4.918 4.470 -0.000 0.000 0.224 406 S C 0.131 174.717 174.600 -0.024 0.000 0.955 406 S CA 0.268 58.492 58.200 0.039 0.000 0.933 406 S CB 0.061 63.244 63.200 -0.028 0.000 0.788 406 S HN 0.773 nan 8.310 nan 0.000 0.488 407 Y N 1.620 122.025 120.300 0.175 0.000 2.335 407 Y HA 0.669 5.218 4.550 -0.000 0.000 0.338 407 Y C 0.233 176.250 175.900 0.195 0.000 0.977 407 Y CA -1.187 57.047 58.100 0.223 0.000 1.114 407 Y CB 1.432 40.029 38.460 0.229 0.000 1.182 407 Y HN 0.228 nan 8.280 nan 0.000 0.463 408 A N 5.149 128.100 122.820 0.219 0.000 2.280 408 A HA 0.638 4.958 4.320 -0.000 0.000 0.320 408 A C -1.298 176.375 177.584 0.149 0.000 1.366 408 A CA -0.468 51.612 52.037 0.072 0.000 0.938 408 A CB -0.656 18.313 19.000 -0.051 0.000 1.157 408 A HN 0.724 nan 8.150 nan 0.000 0.536 409 Y N -0.039 120.319 120.300 0.096 0.000 2.605 409 Y HA 0.682 5.232 4.550 -0.000 0.000 0.343 409 Y C 0.022 175.960 175.900 0.063 0.000 1.036 409 Y CA -1.931 56.206 58.100 0.061 0.000 1.065 409 Y CB 0.885 39.364 38.460 0.032 0.000 1.288 409 Y HN 0.511 nan 8.280 nan 0.000 0.481 410 N N 1.300 120.117 118.700 0.195 0.000 2.681 410 N HA -0.112 4.628 4.740 -0.000 0.000 0.259 410 N C -1.550 173.984 175.510 0.040 0.000 1.066 410 N CA 0.774 53.898 53.050 0.123 0.000 0.717 410 N CB -0.629 37.960 38.487 0.170 0.000 0.885 410 N HN 0.646 nan 8.380 nan 0.000 0.547 411 M N 0.341 119.963 119.600 0.036 0.000 2.227 411 M HA 0.341 4.820 4.480 -0.000 0.000 0.335 411 M C 0.338 176.667 176.300 0.048 0.000 1.053 411 M CA -0.150 55.158 55.300 0.015 0.000 0.973 411 M CB 1.680 34.262 32.600 -0.030 0.000 1.623 411 M HN 0.146 nan 8.290 nan 0.000 0.434 412 Q N 2.197 122.054 119.800 0.095 0.000 2.310 412 Q HA 0.636 4.976 4.340 -0.000 0.000 0.270 412 Q C -1.641 174.437 176.000 0.130 0.000 1.025 412 Q CA -0.434 55.438 55.803 0.115 0.000 0.772 412 Q CB 2.309 31.140 28.738 0.155 0.000 1.253 412 Q HN 0.616 nan 8.270 nan 0.000 0.450 413 V N 4.327 124.289 119.914 0.080 0.000 2.325 413 V HA 0.423 4.542 4.120 -0.000 0.000 0.280 413 V C -0.758 175.379 176.094 0.071 0.000 1.016 413 V CA -0.463 61.874 62.300 0.061 0.000 0.818 413 V CB 1.397 33.212 31.823 -0.014 0.000 1.019 413 V HN 0.767 nan 8.190 nan 0.000 0.434 414 E N 3.498 123.728 120.200 0.050 0.000 2.314 414 E HA 0.475 4.824 4.350 -0.000 0.000 0.272 414 E C -0.467 176.148 176.600 0.025 0.000 0.884 414 E CA -0.863 55.568 56.400 0.053 0.000 0.753 414 E CB 1.669 31.397 29.700 0.046 0.000 1.213 414 E HN 0.575 nan 8.360 nan 0.000 0.432 415 N N 1.715 120.438 118.700 0.038 0.000 2.747 415 N HA -0.154 4.585 4.740 -0.000 0.000 0.249 415 N C -0.974 174.545 175.510 0.015 0.000 1.107 415 N CA 0.748 53.813 53.050 0.025 0.000 0.707 415 N CB -1.275 37.225 38.487 0.022 0.000 1.054 415 N HN 0.512 nan 8.380 nan 0.000 0.555 416 N N 0.482 119.188 118.700 0.009 0.000 2.476 416 N HA 0.550 5.290 4.740 -0.000 0.000 0.275 416 N C 0.316 175.840 175.510 0.024 0.000 1.190 416 N CA -0.155 52.893 53.050 -0.004 0.000 0.977 416 N CB 1.344 39.788 38.487 -0.072 0.000 1.200 416 N HN 0.135 nan 8.380 nan 0.000 0.515 417 I N 0.618 121.220 120.570 0.053 0.000 2.466 417 I HA 0.530 4.700 4.170 -0.000 0.000 0.289 417 I C -0.653 175.512 176.117 0.080 0.000 1.026 417 I CA -0.682 60.649 61.300 0.052 0.000 1.078 417 I CB 1.840 39.892 38.000 0.086 0.000 1.249 417 I HN 0.442 nan 8.210 nan 0.000 0.429 418 A N 5.586 128.429 122.820 0.040 0.000 2.488 418 A HA 0.799 5.118 4.320 -0.000 0.000 0.298 418 A C -1.420 176.202 177.584 0.064 0.000 1.044 418 A CA -0.507 51.578 52.037 0.081 0.000 0.693 418 A CB 1.904 20.978 19.000 0.123 0.000 1.272 418 A HN 0.362 nan 8.150 nan 0.000 0.402 419 V N 3.916 123.881 119.914 0.085 0.000 2.378 419 V HA 0.575 4.695 4.120 -0.000 0.000 0.288 419 V C -0.034 176.055 176.094 -0.008 0.000 1.016 419 V CA -0.136 62.174 62.300 0.016 0.000 0.840 419 V CB 0.601 32.446 31.823 0.037 0.000 0.994 419 V HN 0.856 nan 8.190 nan 0.000 0.431 420 I N 0.924 121.421 120.570 -0.122 0.000 3.206 420 I HA 0.610 4.780 4.170 -0.000 0.000 0.313 420 I C -0.343 175.491 176.117 -0.471 0.000 1.103 420 I CA -0.814 60.447 61.300 -0.064 0.000 0.985 420 I CB 2.306 40.397 38.000 0.151 0.000 1.240 420 I HN 0.361 nan 8.210 nan 0.000 0.464 421 Y N 0.525 120.912 120.300 0.144 0.000 2.430 421 Y HA 0.465 5.015 4.550 -0.000 0.000 0.254 421 Y C 1.561 177.519 175.900 0.096 0.000 1.088 421 Y CA 0.378 58.535 58.100 0.096 0.000 1.267 421 Y CB 0.944 39.446 38.460 0.069 0.000 1.204 421 Y HN 0.769 nan 8.280 nan 0.000 0.515 422 G N -0.320 108.605 108.800 0.209 0.000 3.157 422 G HA2 0.371 4.331 3.960 -0.000 0.000 0.206 422 G HA3 0.371 4.331 3.960 -0.000 0.000 0.206 422 G C -0.807 174.184 174.900 0.153 0.000 1.903 422 G CA -0.296 44.907 45.100 0.172 0.000 0.771 422 G HN -0.004 nan 8.290 nan 0.000 0.750 423 Q N -0.600 119.256 119.800 0.093 0.000 2.312 423 Q HA 0.537 4.877 4.340 -0.000 0.000 0.263 423 Q C -0.010 175.980 176.000 -0.017 0.000 0.995 423 Q CA -0.825 54.994 55.803 0.026 0.000 0.853 423 Q CB 2.490 31.196 28.738 -0.053 0.000 1.300 423 Q HN 0.359 nan 8.270 nan 0.000 0.448 424 F N 1.892 121.706 119.950 -0.227 0.000 2.074 424 F HA 0.167 4.694 4.527 -0.000 0.000 0.290 424 F C 0.094 175.683 175.800 -0.352 0.000 1.118 424 F CA 0.643 58.462 58.000 -0.301 0.000 1.199 424 F CB 0.561 39.264 39.000 -0.496 0.000 1.012 424 F HN 0.340 nan 8.300 nan 0.000 0.472 425 V N 2.182 121.723 119.914 -0.622 0.000 2.444 425 V HA 0.323 4.443 4.120 -0.000 0.000 0.294 425 V C -0.833 175.017 176.094 -0.407 0.000 1.022 425 V CA -0.700 61.234 62.300 -0.610 0.000 0.850 425 V CB 1.549 33.036 31.823 -0.561 0.000 0.992 425 V HN -0.009 nan 8.190 nan 0.000 0.426 426 I N 6.209 126.505 120.570 -0.457 0.000 2.339 426 I HA 0.466 4.636 4.170 -0.000 0.000 0.290 426 I C -0.230 175.744 176.117 -0.239 0.000 0.994 426 I CA -0.008 61.068 61.300 -0.373 0.000 1.191 426 I CB 1.411 39.031 38.000 -0.635 0.000 1.343 426 I HN 0.337 nan 8.210 nan 0.000 0.458 427 L N 5.735 126.868 121.223 -0.150 0.000 2.325 427 L HA 0.969 5.309 4.340 -0.000 0.000 0.278 427 L C 0.416 177.235 176.870 -0.086 0.000 1.023 427 L CA -0.440 54.329 54.840 -0.118 0.000 0.811 427 L CB 1.703 43.705 42.059 -0.094 0.000 1.249 427 L HN 0.792 nan 8.230 nan 0.000 0.431 428 G N 0.634 109.369 108.800 -0.108 0.000 2.601 428 G HA2 0.592 4.552 3.960 -0.000 0.000 0.291 428 G HA3 0.592 4.552 3.960 -0.000 0.000 0.291 428 G C -1.612 173.205 174.900 -0.140 0.000 1.456 428 G CA -0.169 44.873 45.100 -0.098 0.000 0.804 428 G HN 0.689 nan 8.290 nan 0.000 0.499 429 S N -0.519 115.115 115.700 -0.110 0.000 2.565 429 S HA 0.863 5.333 4.470 -0.000 0.000 0.269 429 S C -1.469 173.079 174.600 -0.087 0.000 1.153 429 S CA -0.035 58.088 58.200 -0.129 0.000 0.835 429 S CB 2.630 65.741 63.200 -0.149 0.000 1.122 429 S HN 1.457 nan 8.310 nan 0.000 0.462 430 D N -0.882 119.469 120.400 -0.081 0.000 2.768 430 D HA 0.673 5.313 4.640 -0.000 0.000 0.327 430 D C -0.626 175.624 176.300 -0.084 0.000 1.302 430 D CA -0.393 53.577 54.000 -0.049 0.000 0.897 430 D CB 0.972 41.790 40.800 0.029 0.000 1.420 430 D HN 1.295 nan 8.370 nan 0.000 0.494 431 V N -2.970 116.905 119.914 -0.066 0.000 3.001 431 V HA 0.957 5.076 4.120 -0.000 0.000 0.314 431 V C -0.085 175.977 176.094 -0.053 0.000 1.099 431 V CA -0.162 62.092 62.300 -0.078 0.000 0.989 431 V CB 1.245 33.023 31.823 -0.076 0.000 1.040 431 V HN 1.097 nan 8.190 nan 0.000 0.434 432 T N -0.578 113.945 114.554 -0.052 0.000 2.841 432 T HA 0.770 5.120 4.350 -0.000 0.000 0.276 432 T C 1.275 175.956 174.700 -0.031 0.000 1.003 432 T CA -0.119 61.958 62.100 -0.039 0.000 0.995 432 T CB 1.418 70.265 68.868 -0.036 0.000 1.260 432 T HN 1.594 nan 8.240 nan 0.000 0.581 433 A N 0.520 123.326 122.820 -0.023 0.000 1.978 433 A HA -0.005 4.315 4.320 -0.000 0.000 0.220 433 A C 2.261 179.838 177.584 -0.012 0.000 1.170 433 A CA 2.436 54.464 52.037 -0.016 0.000 0.636 433 A CB -1.538 17.456 19.000 -0.011 0.000 0.810 433 A HN 1.149 nan 8.150 nan 0.000 0.448 434 T N -5.348 109.199 114.554 -0.012 0.000 2.985 434 T HA 0.473 4.823 4.350 -0.000 0.000 0.254 434 T C 0.132 174.828 174.700 -0.008 0.000 1.021 434 T CA 0.290 62.387 62.100 -0.005 0.000 0.957 434 T CB 0.230 69.100 68.868 0.004 0.000 1.047 434 T HN 0.060 nan 8.240 nan 0.000 0.511 435 V N 1.404 121.303 119.914 -0.025 0.000 2.789 435 V HA 0.635 4.754 4.120 -0.000 0.000 0.311 435 V C -0.755 175.288 176.094 -0.084 0.000 1.073 435 V CA -0.869 61.407 62.300 -0.039 0.000 0.921 435 V CB 2.215 34.015 31.823 -0.039 0.000 1.009 435 V HN 0.301 nan 8.190 nan 0.000 0.426 436 S N 2.183 117.807 115.700 -0.128 0.000 2.449 436 S HA 0.660 5.129 4.470 -0.000 0.000 0.310 436 S C 0.319 174.590 174.600 -0.549 0.000 1.096 436 S CA -0.450 57.586 58.200 -0.274 0.000 1.095 436 S CB 1.609 64.668 63.200 -0.236 0.000 1.007 436 S HN 1.092 nan 8.310 nan 0.000 0.474 437 G N 2.445 110.945 108.800 -0.500 0.000 2.415 437 G HA2 0.491 4.451 3.960 -0.000 0.000 0.269 437 G HA3 0.491 4.451 3.960 -0.000 0.000 0.269 437 G C -0.706 173.734 174.900 -0.768 0.000 1.209 437 G CA -0.435 44.361 45.100 -0.507 0.000 0.835 437 G HN 0.742 nan 8.290 nan 0.000 0.534 438 H N 1.006 119.897 119.070 -0.298 0.000 2.637 438 H HA 0.439 4.995 4.556 -0.000 0.000 0.363 438 H C -1.228 174.041 175.328 -0.097 0.000 1.131 438 H CA -0.676 55.229 56.048 -0.238 0.000 1.183 438 H CB 2.533 32.035 29.762 -0.433 0.000 1.637 438 H HN 0.386 nan 8.280 nan 0.000 0.531 439 L N 4.425 125.684 121.223 0.059 0.000 2.349 439 L HA 0.366 4.706 4.340 -0.000 0.000 0.278 439 L C -0.781 176.138 176.870 0.081 0.000 0.996 439 L CA -0.280 54.588 54.840 0.046 0.000 0.825 439 L CB 0.842 42.879 42.059 -0.037 0.000 1.243 439 L HN 0.823 nan 8.230 nan 0.000 0.412 440 N N 2.332 121.104 118.700 0.119 0.000 2.823 440 N HA 0.329 5.069 4.740 -0.000 0.000 0.251 440 N C -1.783 173.796 175.510 0.115 0.000 1.392 440 N CA -0.691 52.421 53.050 0.103 0.000 0.864 440 N CB 1.597 40.152 38.487 0.114 0.000 1.481 440 N HN 0.528 nan 8.380 nan 0.000 0.508 441 D N -0.180 120.264 120.400 0.074 0.000 2.848 441 D HA -0.102 4.538 4.640 -0.000 0.000 0.245 441 D C -0.935 175.406 176.300 0.069 0.000 1.122 441 D CA 0.519 54.565 54.000 0.076 0.000 0.769 441 D CB -1.019 39.847 40.800 0.111 0.000 1.025 441 D HN 0.321 nan 8.370 nan 0.000 0.423 442 V N 1.282 121.214 119.914 0.030 0.000 2.628 442 V HA 0.648 4.768 4.120 -0.000 0.000 0.306 442 V C 0.644 176.740 176.094 0.003 0.000 1.045 442 V CA -0.852 61.455 62.300 0.011 0.000 0.905 442 V CB 2.677 34.488 31.823 -0.019 0.000 0.997 442 V HN 0.329 nan 8.190 nan 0.000 0.436 443 I N 3.923 124.502 120.570 0.014 0.000 2.466 443 I HA 0.626 4.795 4.170 -0.000 0.000 0.289 443 I C -1.305 174.830 176.117 0.031 0.000 1.026 443 I CA -0.538 60.772 61.300 0.016 0.000 1.078 443 I CB 1.893 39.908 38.000 0.026 0.000 1.249 443 I HN 0.390 nan 8.210 nan 0.000 0.429 444 V N 6.934 126.874 119.914 0.044 0.000 2.349 444 V HA 0.575 4.695 4.120 -0.000 0.000 0.284 444 V C -0.468 175.716 176.094 0.149 0.000 1.014 444 V CA -0.254 62.111 62.300 0.108 0.000 0.826 444 V CB 1.122 33.024 31.823 0.132 0.000 1.009 444 V HN 0.815 nan 8.190 nan 0.000 0.431 445 S N 2.201 117.981 115.700 0.134 0.000 2.550 445 S HA 0.780 5.249 4.470 -0.000 0.000 0.270 445 S C 0.517 175.168 174.600 0.084 0.000 1.145 445 S CA 0.068 58.325 58.200 0.096 0.000 0.852 445 S CB 1.938 65.165 63.200 0.045 0.000 1.119 445 S HN 2.070 nan 8.310 nan 0.000 0.465 446 G N 1.458 110.286 108.800 0.047 0.000 2.168 446 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.263 446 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.263 446 G C -0.231 174.689 174.900 0.034 0.000 0.977 446 G CA 0.128 45.242 45.100 0.024 0.000 0.659 446 G HN 0.861 nan 8.290 nan 0.000 0.533 447 N N -0.157 118.589 118.700 0.076 0.000 2.498 447 N HA 0.539 5.278 4.740 -0.000 0.000 0.287 447 N C -0.485 175.017 175.510 -0.012 0.000 1.097 447 N CA -0.204 52.879 53.050 0.054 0.000 0.973 447 N CB 2.149 40.715 38.487 0.132 0.000 1.153 447 N HN 0.348 nan 8.380 nan 0.000 0.472 448 I N 1.918 122.460 120.570 -0.048 0.000 2.382 448 I HA 0.334 4.504 4.170 -0.000 0.000 0.286 448 I C -1.317 174.765 176.117 -0.057 0.000 1.002 448 I CA -0.582 60.693 61.300 -0.042 0.000 1.135 448 I CB 0.996 38.979 38.000 -0.028 0.000 1.288 448 I HN 0.086 nan 8.210 nan 0.000 0.448 449 V N 6.081 125.999 119.914 0.006 0.000 2.808 449 V HA 0.645 4.764 4.120 -0.000 0.000 0.308 449 V C -0.575 175.631 176.094 0.186 0.000 1.099 449 V CA -0.467 61.853 62.300 0.034 0.000 0.920 449 V CB 2.133 33.894 31.823 -0.105 0.000 1.014 449 V HN 0.807 nan 8.190 nan 0.000 0.425 450 S N 3.991 119.755 115.700 0.106 0.000 2.595 450 S HA 0.752 5.222 4.470 -0.000 0.000 0.281 450 S C -0.984 173.593 174.600 -0.038 0.000 1.117 450 S CA -0.900 57.306 58.200 0.011 0.000 0.873 450 S CB 2.007 65.263 63.200 0.093 0.000 1.108 450 S HN 0.422 nan 8.310 nan 0.000 0.477 451 I N 2.511 122.975 120.570 -0.177 0.000 2.396 451 I HA 0.309 4.479 4.170 -0.000 0.000 0.289 451 I C 1.363 177.315 176.117 -0.276 0.000 1.056 451 I CA 0.102 61.271 61.300 -0.218 0.000 1.365 451 I CB -0.202 37.688 38.000 -0.182 0.000 1.407 451 I HN 0.994 nan 8.210 nan 0.000 0.509 452 G N 5.088 113.585 108.800 -0.505 0.000 2.594 452 G HA2 0.026 3.986 3.960 -0.000 0.000 0.243 452 G HA3 0.026 3.986 3.960 -0.000 0.000 0.243 452 G C 0.148 175.052 174.900 0.006 0.000 1.229 452 G CA -0.473 44.454 45.100 -0.287 0.000 0.843 452 G HN 0.766 nan 8.290 nan 0.000 0.578 453 E N 0.114 120.380 120.200 0.110 0.000 2.558 453 E HA 0.170 4.520 4.350 -0.000 0.000 0.255 453 E C 0.545 177.245 176.600 0.167 0.000 0.968 453 E CA 0.346 56.806 56.400 0.101 0.000 0.939 453 E CB 0.191 29.944 29.700 0.089 0.000 0.921 453 E HN 0.625 nan 8.360 nan 0.000 0.477 454 R N 1.720 122.273 120.500 0.088 0.000 2.728 454 R HA 0.579 4.919 4.340 -0.000 0.000 0.274 454 R C -1.629 174.676 176.300 0.008 0.000 1.032 454 R CA -0.603 55.543 56.100 0.077 0.000 0.866 454 R CB 0.405 30.802 30.300 0.161 0.000 1.263 454 R HN 0.363 nan 8.270 nan 0.000 0.475 455 A N 1.326 124.147 122.820 0.002 0.000 2.386 455 A HA 0.625 4.945 4.320 -0.000 0.000 0.248 455 A C 0.486 178.046 177.584 -0.039 0.000 1.082 455 A CA -0.011 52.020 52.037 -0.011 0.000 0.789 455 A CB 0.175 19.182 19.000 0.012 0.000 1.025 455 A HN 0.975 nan 8.150 nan 0.000 0.490 456 A N 0.588 123.369 122.820 -0.064 0.000 2.540 456 A HA 0.431 4.751 4.320 -0.000 0.000 0.239 456 A C 0.166 177.747 177.584 -0.006 0.000 1.061 456 A CA 0.529 52.457 52.037 -0.182 0.000 0.758 456 A CB -1.044 17.880 19.000 -0.127 0.000 0.991 456 A HN 1.603 nan 8.150 nan 0.000 0.502 457 F N 0.701 120.601 119.950 -0.083 0.000 3.006 457 F HA -0.285 4.242 4.527 -0.001 0.000 0.289 457 F C 1.806 177.600 175.800 -0.010 0.000 0.772 457 F CA 1.196 59.168 58.000 -0.047 0.000 1.162 457 F CB -2.201 36.783 39.000 -0.026 0.000 1.382 457 F HN 0.727 nan 8.300 nan 0.000 0.406 458 S N -1.557 114.195 115.700 0.087 0.000 2.575 458 S HA 0.719 5.188 4.470 -0.000 0.000 0.215 458 S C 0.690 175.325 174.600 0.059 0.000 0.966 458 S CA 0.289 58.530 58.200 0.068 0.000 0.911 458 S CB 0.588 63.808 63.200 0.033 0.000 0.780 458 S HN 0.926 nan 8.310 nan 0.000 0.514 459 A N 1.097 123.961 122.820 0.073 0.000 2.583 459 A HA 0.813 5.133 4.320 -0.000 0.000 0.289 459 A C -3.178 174.476 177.584 0.116 0.000 1.151 459 A CA -1.932 50.163 52.037 0.096 0.000 0.695 459 A CB -0.020 19.060 19.000 0.133 0.000 1.290 459 A HN 0.195 nan 8.150 nan 0.000 0.419 460 P HA 0.182 nan 4.420 nan 0.000 0.266 460 P C -0.426 176.987 177.300 0.188 0.000 1.193 460 P CA 0.165 63.371 63.100 0.177 0.000 0.770 460 P CB 0.083 31.884 31.700 0.169 0.000 0.836 461 F N 2.256 122.255 119.950 0.081 0.000 2.612 461 F HA 0.175 4.702 4.527 -0.001 0.000 0.389 461 F C 1.232 177.057 175.800 0.042 0.000 1.055 461 F CA 0.598 58.624 58.000 0.044 0.000 1.232 461 F CB -0.201 38.844 39.000 0.075 0.000 1.044 461 F HN 0.286 nan 8.300 nan 0.000 0.560 462 G N 4.322 113.150 108.800 0.048 0.000 2.406 462 G HA2 0.516 4.476 3.960 -0.000 0.000 0.251 462 G HA3 0.516 4.476 3.960 -0.000 0.000 0.251 462 G C -1.164 173.943 174.900 0.345 0.000 1.271 462 G CA 0.134 45.336 45.100 0.169 0.000 0.859 462 G HN 1.096 nan 8.290 nan 0.000 0.540 463 A N 1.872 124.853 122.820 0.268 0.000 2.589 463 A HA 0.609 4.929 4.320 -0.000 0.000 0.296 463 A C -0.172 177.293 177.584 -0.199 0.000 1.062 463 A CA -0.571 51.526 52.037 0.100 0.000 0.686 463 A CB 0.892 19.953 19.000 0.103 0.000 1.282 463 A HN 0.752 nan 8.150 nan 0.000 0.404 464 F N 1.803 121.354 119.950 -0.665 0.000 2.147 464 F HA 0.337 4.864 4.527 -0.000 0.000 0.291 464 F C 0.382 176.132 175.800 -0.083 0.000 1.093 464 F CA 0.994 58.639 58.000 -0.592 0.000 1.263 464 F CB 0.279 38.894 39.000 -0.642 0.000 1.036 464 F HN 0.398 nan 8.300 nan 0.000 0.481 465 I N 1.362 121.955 120.570 0.039 0.000 2.404 465 I HA 0.227 4.396 4.170 -0.000 0.000 0.293 465 I C -1.192 174.927 176.117 0.003 0.000 0.992 465 I CA -0.587 60.728 61.300 0.026 0.000 1.149 465 I CB 1.052 39.197 38.000 0.241 0.000 1.315 465 I HN 0.011 nan 8.210 nan 0.000 0.446 466 D N 6.157 126.522 120.400 -0.059 0.000 2.505 466 D HA 0.427 5.067 4.640 -0.000 0.000 0.249 466 D C -0.809 175.463 176.300 -0.047 0.000 1.082 466 D CA -0.403 53.569 54.000 -0.047 0.000 0.839 466 D CB 1.449 42.208 40.800 -0.069 0.000 1.317 466 D HN 0.134 nan 8.370 nan 0.000 0.497 467 I N 3.622 124.180 120.570 -0.021 0.000 2.282 467 I HA 0.372 4.541 4.170 -0.000 0.000 0.290 467 I C 0.935 177.040 176.117 -0.021 0.000 1.090 467 I CA -0.530 60.757 61.300 -0.023 0.000 1.231 467 I CB 0.319 38.310 38.000 -0.013 0.000 1.434 467 I HN 0.418 nan 8.210 nan 0.000 0.487 468 G N 7.869 116.660 108.800 -0.016 0.000 2.338 468 G HA2 0.606 4.566 3.960 -0.000 0.000 0.298 468 G HA3 0.606 4.566 3.960 -0.000 0.000 0.298 468 G C -2.666 172.243 174.900 0.016 0.000 1.140 468 G CA -0.984 44.123 45.100 0.011 0.000 0.860 468 G HN 0.293 nan 8.290 nan 0.000 0.470 469 P HA 0.086 nan 4.420 nan 0.000 0.271 469 P C 0.092 177.411 177.300 0.032 0.000 1.233 469 P CA -0.410 62.700 63.100 0.016 0.000 0.789 469 P CB 0.752 32.460 31.700 0.012 0.000 0.951 470 D N 0.211 120.626 120.400 0.026 0.000 2.380 470 D HA -0.036 4.604 4.640 -0.000 0.000 0.254 470 D C 0.727 177.052 176.300 0.041 0.000 1.288 470 D CA -0.054 53.971 54.000 0.042 0.000 1.008 470 D CB -0.214 40.603 40.800 0.029 0.000 1.099 470 D HN 0.136 nan 8.370 nan 0.000 0.537 471 N N -0.988 117.736 118.700 0.040 0.000 2.453 471 N HA -0.077 4.662 4.740 -0.000 0.000 0.183 471 N C 0.794 176.306 175.510 0.004 0.000 1.041 471 N CA 0.509 53.571 53.050 0.020 0.000 0.900 471 N CB -0.047 38.437 38.487 -0.005 0.000 0.961 471 N HN 0.305 nan 8.380 nan 0.000 0.443 472 S N -1.059 114.641 115.700 -0.000 0.000 2.556 472 S HA 0.268 4.738 4.470 -0.000 0.000 0.216 472 S C 1.306 175.907 174.600 0.000 0.000 0.970 472 S CA 0.316 58.513 58.200 -0.005 0.000 0.912 472 S CB 0.706 63.899 63.200 -0.012 0.000 0.790 472 S HN 0.510 nan 8.310 nan 0.000 0.504 473 G N 1.550 110.355 108.800 0.008 0.000 2.157 473 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.248 473 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.248 473 G C 0.185 175.086 174.900 0.003 0.000 0.979 473 G CA -0.116 44.988 45.100 0.008 0.000 0.650 473 G HN 0.844 nan 8.290 nan 0.000 0.529 474 A N 0.549 123.369 122.820 0.001 0.000 2.450 474 A HA 0.671 4.991 4.320 -0.000 0.000 0.255 474 A C 1.386 178.968 177.584 -0.004 0.000 1.096 474 A CA 1.192 53.227 52.037 -0.004 0.000 0.778 474 A CB 0.435 19.431 19.000 -0.008 0.000 1.031 474 A HN 1.690 nan 8.150 nan 0.000 0.494 475 S N 0.930 116.627 115.700 -0.005 0.000 2.578 475 S HA 0.036 4.506 4.470 -0.000 0.000 0.231 475 S C 0.423 175.018 174.600 -0.009 0.000 0.994 475 S CA 0.153 58.350 58.200 -0.006 0.000 0.956 475 S CB -0.198 63.001 63.200 -0.002 0.000 0.870 475 S HN 0.860 nan 8.310 nan 0.000 0.494 476 N N 1.054 119.748 118.700 -0.011 0.000 2.365 476 N HA 0.085 4.824 4.740 -0.000 0.000 0.257 476 N C 0.566 176.065 175.510 -0.019 0.000 1.287 476 N CA 0.196 53.239 53.050 -0.012 0.000 0.882 476 N CB 0.460 38.942 38.487 -0.007 0.000 1.250 476 N HN 0.422 nan 8.380 nan 0.000 0.507 477 V N -4.000 115.899 119.914 -0.025 0.000 3.477 477 V HA 0.405 4.524 4.120 -0.000 0.000 0.297 477 V C -0.062 175.998 176.094 -0.056 0.000 1.433 477 V CA -0.102 62.175 62.300 -0.039 0.000 1.052 477 V CB -0.378 31.422 31.823 -0.038 0.000 0.895 477 V HN -0.105 nan 8.190 nan 0.000 0.438 478 Q N 1.699 121.472 119.800 -0.045 0.000 2.259 478 Q HA 0.565 4.905 4.340 -0.000 0.000 0.249 478 Q C -0.643 175.330 176.000 -0.045 0.000 0.914 478 Q CA 0.350 56.121 55.803 -0.053 0.000 0.904 478 Q CB 1.482 30.196 28.738 -0.041 0.000 1.213 478 Q HN 0.419 nan 8.270 nan 0.000 0.428 479 D N 2.256 122.625 120.400 -0.051 0.000 2.400 479 D HA 0.326 4.966 4.640 -0.000 0.000 0.272 479 D C -1.410 174.900 176.300 0.016 0.000 1.220 479 D CA -0.237 53.765 54.000 0.004 0.000 0.897 479 D CB 0.088 40.927 40.800 0.066 0.000 1.134 479 D HN 0.442 nan 8.370 nan 0.000 0.507 480 I N 3.243 123.814 120.570 0.001 0.000 2.378 480 I HA 0.400 4.570 4.170 -0.000 0.000 0.291 480 I C 0.016 176.137 176.117 0.007 0.000 0.992 480 I CA -0.472 60.827 61.300 -0.002 0.000 1.154 480 I CB 1.455 39.439 38.000 -0.025 0.000 1.315 480 I HN 0.281 nan 8.210 nan 0.000 0.448 481 Q N 4.961 124.771 119.800 0.017 0.000 2.738 481 Q HA 0.541 4.881 4.340 -0.000 0.000 0.301 481 Q C -0.951 175.057 176.000 0.012 0.000 0.901 481 Q CA -1.182 54.629 55.803 0.014 0.000 0.756 481 Q CB 1.375 30.126 28.738 0.022 0.000 1.463 481 Q HN 0.485 nan 8.270 nan 0.000 0.432 482 R N -0.478 120.025 120.500 0.005 0.000 3.188 482 R HA -0.110 4.230 4.340 -0.000 0.000 0.247 482 R C -1.124 175.171 176.300 -0.009 0.000 0.918 482 R CA 0.673 56.774 56.100 0.001 0.000 0.629 482 R CB -2.107 28.199 30.300 0.010 0.000 1.087 482 R HN 0.409 nan 8.270 nan 0.000 0.462 483 V N 1.813 121.707 119.914 -0.034 0.000 2.417 483 V HA 0.423 4.543 4.120 -0.000 0.000 0.291 483 V C -0.008 176.024 176.094 -0.104 0.000 1.024 483 V CA -0.863 61.399 62.300 -0.064 0.000 0.861 483 V CB 1.755 33.526 31.823 -0.085 0.000 0.985 483 V HN 0.238 nan 8.190 nan 0.000 0.436 484 L N 6.758 127.928 121.223 -0.088 0.000 2.305 484 L HA 0.690 5.030 4.340 -0.000 0.000 0.284 484 L C -0.577 176.230 176.870 -0.106 0.000 1.013 484 L CA -0.026 54.755 54.840 -0.099 0.000 0.819 484 L CB 1.740 43.772 42.059 -0.045 0.000 1.227 484 L HN 0.442 nan 8.230 nan 0.000 0.417 485 V N 4.492 124.295 119.914 -0.185 0.000 2.326 485 V HA 0.643 4.763 4.120 -0.000 0.000 0.281 485 V C -0.004 176.077 176.094 -0.021 0.000 1.015 485 V CA -0.285 61.961 62.300 -0.090 0.000 0.823 485 V CB 1.159 32.841 31.823 -0.235 0.000 1.009 485 V HN 0.864 nan 8.190 nan 0.000 0.436 486 T N 2.835 117.395 114.554 0.010 0.000 2.956 486 T HA 0.598 4.948 4.350 -0.000 0.000 0.312 486 T C 0.568 175.243 174.700 -0.042 0.000 1.151 486 T CA 0.559 62.643 62.100 -0.027 0.000 1.024 486 T CB 1.460 70.312 68.868 -0.027 0.000 1.140 486 T HN 1.596 nan 8.240 nan 0.000 0.473 487 G N 3.559 112.302 108.800 -0.094 0.000 2.305 487 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.287 487 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.287 487 G C -0.100 174.731 174.900 -0.115 0.000 1.036 487 G CA 0.069 45.108 45.100 -0.101 0.000 0.887 487 G HN 0.801 nan 8.290 nan 0.000 0.505 488 N N -0.536 118.040 118.700 -0.206 0.000 2.443 488 N HA 0.606 5.346 4.740 -0.000 0.000 0.293 488 N C -0.722 174.546 175.510 -0.402 0.000 1.159 488 N CA -0.281 52.618 53.050 -0.252 0.000 0.904 488 N CB 1.904 40.209 38.487 -0.304 0.000 1.214 488 N HN 0.144 nan 8.380 nan 0.000 0.513 489 S N 0.685 116.212 115.700 -0.289 0.000 2.502 489 S HA 0.595 5.065 4.470 -0.000 0.000 0.304 489 S C -1.553 172.989 174.600 -0.096 0.000 1.097 489 S CA -0.605 57.454 58.200 -0.235 0.000 1.045 489 S CB 0.140 63.262 63.200 -0.130 0.000 1.019 489 S HN 0.412 nan 8.310 nan 0.000 0.481 490 F N 5.564 125.381 119.950 -0.221 0.000 2.529 490 F HA 0.673 5.200 4.527 -0.000 0.000 0.320 490 F C -1.560 174.319 175.800 0.132 0.000 1.118 490 F CA -0.991 57.009 58.000 0.000 0.000 0.915 490 F CB 1.412 40.479 39.000 0.111 0.000 1.161 490 F HN 0.663 nan 8.300 nan 0.000 0.445 491 Y N 4.565 124.523 120.300 -0.571 0.000 2.442 491 Y HA 0.796 5.346 4.550 -0.000 0.000 0.344 491 Y C -1.698 173.791 175.900 -0.686 0.000 0.976 491 Y CA -0.978 56.819 58.100 -0.504 0.000 1.040 491 Y CB 1.688 40.004 38.460 -0.239 0.000 1.228 491 Y HN 0.859 nan 8.280 nan 0.000 0.451 492 A N 7.170 129.283 122.820 -1.179 0.000 2.374 492 A HA 0.746 5.066 4.320 -0.000 0.000 0.305 492 A C -3.044 173.956 177.584 -0.974 0.000 1.053 492 A CA -2.174 49.291 52.037 -0.952 0.000 0.726 492 A CB 1.153 19.834 19.000 -0.531 0.000 1.229 492 A HN 0.566 nan 8.150 nan 0.000 0.431 493 P HA 0.042 nan 4.420 nan 0.000 0.266 493 P C 1.109 178.144 177.300 -0.443 0.000 1.186 493 P CA 0.954 63.774 63.100 -0.465 0.000 0.767 493 P CB 0.671 32.233 31.700 -0.230 0.000 0.820 494 A N 4.003 126.501 122.820 -0.536 0.000 1.986 494 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 494 A C 1.760 178.997 177.584 -0.578 0.000 1.171 494 A CA 2.024 53.541 52.037 -0.866 0.000 0.640 494 A CB -1.178 17.551 19.000 -0.451 0.000 0.811 494 A HN 0.747 nan 8.150 nan 0.000 0.451 495 N N 0.125 118.643 118.700 -0.304 0.000 2.457 495 N HA -0.020 4.720 4.740 -0.000 0.000 0.180 495 N C 0.454 175.873 175.510 -0.152 0.000 1.050 495 N CA 0.407 53.349 53.050 -0.181 0.000 0.906 495 N CB -0.302 38.113 38.487 -0.120 0.000 0.968 495 N HN 0.511 nan 8.380 nan 0.000 0.445 496 I N 2.438 122.919 120.570 -0.148 0.000 2.278 496 I HA 0.032 4.202 4.170 -0.000 0.000 0.300 496 I C 0.895 176.893 176.117 -0.199 0.000 1.174 496 I CA -0.236 60.952 61.300 -0.187 0.000 1.347 496 I CB 0.284 38.166 38.000 -0.197 0.000 1.473 496 I HN -0.041 nan 8.210 nan 0.000 0.595 497 T N 2.636 117.016 114.554 -0.290 0.000 2.699 497 T HA -0.174 4.175 4.350 -0.000 0.000 0.268 497 T C 0.935 175.324 174.700 -0.519 0.000 1.036 497 T CA 1.361 63.278 62.100 -0.305 0.000 1.147 497 T CB -0.301 68.458 68.868 -0.181 0.000 0.862 497 T HN 0.676 nan 8.240 nan 0.000 0.446 498 D N 2.690 122.485 120.400 -1.009 0.000 2.619 498 D HA 0.189 4.829 4.640 -0.000 0.000 0.224 498 D C -0.465 175.188 176.300 -1.079 0.000 1.133 498 D CA -0.294 52.713 54.000 -1.655 0.000 1.017 498 D CB -0.313 39.215 40.800 -2.120 0.000 1.077 498 D HN 0.345 nan 8.370 nan 0.000 0.503 499 S N -0.639 114.773 115.700 -0.479 0.000 2.575 499 S HA 0.774 5.244 4.470 -0.000 0.000 0.278 499 S C -0.913 173.780 174.600 0.156 0.000 1.139 499 S CA -0.991 57.156 58.200 -0.089 0.000 0.954 499 S CB 1.999 65.099 63.200 -0.168 0.000 1.054 499 S HN 0.604 nan 8.310 nan 0.000 0.483 500 A N 1.717 124.731 122.820 0.324 0.000 2.515 500 A HA 0.932 5.252 4.320 -0.000 0.000 0.298 500 A C 0.788 178.435 177.584 0.106 0.000 1.059 500 A CA -0.494 51.675 52.037 0.219 0.000 0.698 500 A CB 0.922 20.059 19.000 0.228 0.000 1.289 500 A HN 1.688 nan 8.150 nan 0.000 0.404 501 A N 1.293 124.042 122.820 -0.118 0.000 1.902 501 A HA 0.262 4.582 4.320 -0.000 0.000 0.217 501 A C 0.878 178.299 177.584 -0.271 0.000 1.181 501 A CA 1.982 53.727 52.037 -0.486 0.000 0.623 501 A CB -0.224 18.107 19.000 -1.115 0.000 0.818 501 A HN 1.394 nan 8.150 nan 0.000 0.443 502 I N 0.346 120.816 120.570 -0.167 0.000 2.571 502 I HA 0.315 4.485 4.170 -0.000 0.000 0.289 502 I C -0.800 175.317 176.117 0.000 0.000 1.115 502 I CA -0.589 60.707 61.300 -0.006 0.000 1.045 502 I CB 2.161 40.228 38.000 0.112 0.000 1.238 502 I HN 0.153 nan 8.210 nan 0.000 0.424 503 T N 5.654 120.211 114.554 0.004 0.000 2.738 503 T HA 0.382 4.732 4.350 -0.000 0.000 0.298 503 T C -0.331 174.357 174.700 -0.020 0.000 0.962 503 T CA -0.501 61.566 62.100 -0.055 0.000 0.972 503 T CB 0.936 69.707 68.868 -0.161 0.000 0.928 503 T HN 0.533 nan 8.240 nan 0.000 0.474 504 L N 4.604 125.840 121.223 0.023 0.000 2.353 504 L HA 0.442 4.782 4.340 -0.000 0.000 0.269 504 L C 1.087 178.004 176.870 0.078 0.000 1.085 504 L CA -0.733 54.146 54.840 0.066 0.000 0.938 504 L CB 0.167 42.284 42.059 0.097 0.000 1.312 504 L HN 0.705 nan 8.230 nan 0.000 0.429 505 R N 2.430 122.934 120.500 0.006 0.000 2.365 505 R HA 0.421 4.761 4.340 -0.000 0.000 0.223 505 R C 0.086 176.386 176.300 0.000 0.000 0.899 505 R CA 0.141 56.234 56.100 -0.011 0.000 1.059 505 R CB 0.930 31.202 30.300 -0.046 0.000 1.086 505 R HN 0.540 nan 8.270 nan 0.000 0.522 506 A N 0.642 123.459 122.820 -0.005 0.000 2.569 506 A HA 0.438 4.758 4.320 -0.000 0.000 0.290 506 A C -1.184 176.382 177.584 -0.029 0.000 1.136 506 A CA -0.961 51.069 52.037 -0.011 0.000 0.710 506 A CB 0.898 19.890 19.000 -0.013 0.000 1.303 506 A HN 0.021 nan 8.150 nan 0.000 0.413 507 N N -0.162 118.522 118.700 -0.027 0.000 2.356 507 N HA 0.291 5.030 4.740 -0.000 0.000 0.252 507 N C -0.907 174.575 175.510 -0.048 0.000 1.241 507 N CA 0.456 53.482 53.050 -0.039 0.000 0.861 507 N CB 0.356 38.828 38.487 -0.025 0.000 1.075 507 N HN 0.572 nan 8.380 nan 0.000 0.461 508 L N 2.604 123.788 121.223 -0.065 0.000 2.406 508 L HA 0.444 4.784 4.340 -0.000 0.000 0.272 508 L C 0.184 177.032 176.870 -0.037 0.000 0.980 508 L CA -0.318 54.490 54.840 -0.053 0.000 0.831 508 L CB 1.567 43.582 42.059 -0.073 0.000 1.253 508 L HN 0.373 nan 8.230 nan 0.000 0.406 509 N N 3.367 122.058 118.700 -0.015 0.000 2.280 509 N HA 0.394 5.133 4.740 -0.000 0.000 0.192 509 N C 0.083 175.596 175.510 0.005 0.000 1.109 509 N CA 0.672 53.720 53.050 -0.003 0.000 0.855 509 N CB 1.062 39.554 38.487 0.008 0.000 0.974 509 N HN 0.727 nan 8.380 nan 0.000 0.482 510 G N -0.397 108.407 108.800 0.006 0.000 2.443 510 G HA2 0.366 4.326 3.960 -0.000 0.000 0.303 510 G HA3 0.366 4.326 3.960 -0.000 0.000 0.303 510 G C -1.960 172.946 174.900 0.010 0.000 1.613 510 G CA -0.551 44.559 45.100 0.016 0.000 0.879 510 G HN 0.103 nan 8.290 nan 0.000 0.632 511 C N 0.961 120.278 119.300 0.029 0.000 3.006 511 C HA 0.851 5.311 4.460 -0.000 0.000 0.359 511 C C -0.329 174.657 174.990 -0.007 0.000 1.103 511 C CA -0.156 58.846 59.018 -0.028 0.000 1.286 511 C CB 1.076 28.811 27.740 -0.008 0.000 1.694 511 C HN 0.999 nan 8.230 nan 0.000 0.511 512 T N 4.998 119.468 114.554 -0.140 0.000 2.809 512 T HA 0.602 4.952 4.350 -0.000 0.000 0.284 512 T C -1.059 173.511 174.700 -0.217 0.000 0.992 512 T CA -0.015 62.053 62.100 -0.055 0.000 0.957 512 T CB 0.550 69.404 68.868 -0.024 0.000 0.942 512 T HN 0.405 nan 8.240 nan 0.000 0.439 513 F N 3.529 123.500 119.950 0.035 0.000 2.426 513 F HA 0.641 5.168 4.527 -0.000 0.000 0.348 513 F C 0.166 175.879 175.800 -0.145 0.000 1.124 513 F CA -1.020 56.943 58.000 -0.062 0.000 1.008 513 F CB 0.970 39.858 39.000 -0.187 0.000 1.139 513 F HN 0.328 nan 8.300 nan 0.000 0.452 514 I N 2.459 123.036 120.570 0.012 0.000 2.569 514 I HA 0.553 4.723 4.170 -0.000 0.000 0.290 514 I C 0.177 176.246 176.117 -0.080 0.000 1.088 514 I CA -1.442 59.834 61.300 -0.040 0.000 1.047 514 I CB 1.995 39.984 38.000 -0.018 0.000 1.237 514 I HN 0.706 nan 8.210 nan 0.000 0.421 515 A N 3.822 126.581 122.820 -0.102 0.000 2.791 515 A HA -0.183 4.137 4.320 -0.000 0.000 0.292 515 A C -0.262 177.211 177.584 -0.185 0.000 1.487 515 A CA 0.624 52.594 52.037 -0.112 0.000 0.760 515 A CB -2.241 16.717 19.000 -0.070 0.000 1.031 515 A HN 0.807 nan 8.150 nan 0.000 0.503 516 N N 0.029 118.549 118.700 -0.300 0.000 2.477 516 N HA 0.368 5.108 4.740 -0.000 0.000 0.284 516 N C -0.308 174.874 175.510 -0.547 0.000 1.182 516 N CA -0.506 52.210 53.050 -0.557 0.000 0.949 516 N CB 0.964 38.814 38.487 -1.063 0.000 1.204 516 N HN 0.618 nan 8.380 nan 0.000 0.526 517 N N 0.726 119.070 118.700 -0.593 0.000 2.479 517 N HA 0.301 5.041 4.740 -0.000 0.000 0.261 517 N C -1.593 173.674 175.510 -0.406 0.000 0.979 517 N CA -0.366 52.470 53.050 -0.358 0.000 0.930 517 N CB 0.551 38.916 38.487 -0.203 0.000 1.172 517 N HN 0.231 nan 8.380 nan 0.000 0.499 518 F N 1.756 121.724 119.950 0.029 0.000 2.402 518 F HA 0.273 4.800 4.527 -0.000 0.000 0.355 518 F C 0.052 175.895 175.800 0.072 0.000 1.123 518 F CA -0.975 57.083 58.000 0.096 0.000 1.021 518 F CB 1.439 40.539 39.000 0.167 0.000 1.160 518 F HN 0.347 nan 8.300 nan 0.000 0.451 519 D N 3.822 124.353 120.400 0.219 0.000 2.404 519 D HA 0.495 5.134 4.640 -0.000 0.000 0.267 519 D C -1.023 175.247 176.300 -0.050 0.000 1.194 519 D CA -0.037 54.026 54.000 0.105 0.000 0.910 519 D CB 0.573 41.468 40.800 0.158 0.000 1.090 519 D HN 0.596 nan 8.370 nan 0.000 0.511 520 C N 1.236 120.431 119.300 -0.175 0.000 3.293 520 C HA 0.608 5.067 4.460 -0.000 0.000 0.362 520 C C 1.532 175.965 174.990 -0.927 0.000 1.539 520 C CA -0.860 57.815 59.018 -0.572 0.000 1.201 520 C CB 1.541 29.146 27.740 -0.225 0.000 1.770 520 C HN 0.377 nan 8.230 nan 0.000 0.440 521 R N -0.005 119.811 120.500 -1.140 0.000 2.062 521 R HA 0.175 4.515 4.340 -0.000 0.000 0.231 521 R C -0.155 175.755 176.300 -0.650 0.000 1.136 521 R CA 1.715 57.289 56.100 -0.877 0.000 0.948 521 R CB -0.628 29.285 30.300 -0.646 0.000 0.845 521 R HN 0.768 nan 8.270 nan 0.000 0.430 522 Y N -0.966 119.147 120.300 -0.313 0.000 2.446 522 Y HA 0.260 4.809 4.550 -0.000 0.000 0.338 522 Y C 1.110 176.779 175.900 -0.386 0.000 1.055 522 Y CA -1.022 56.899 58.100 -0.299 0.000 1.101 522 Y CB 1.726 40.063 38.460 -0.204 0.000 1.221 522 Y HN -0.159 nan 8.280 nan 0.000 0.460 523 M N 0.603 119.893 119.600 -0.516 0.000 2.224 523 M HA 0.135 4.615 4.480 -0.000 0.000 0.253 523 M C -0.094 175.766 176.300 -0.734 0.000 1.115 523 M CA 0.944 55.709 55.300 -0.892 0.000 1.168 523 M CB -0.279 31.165 32.600 -1.927 0.000 1.288 523 M HN 0.281 nan 8.290 nan 0.000 0.446 524 V N 0.133 119.586 119.914 -0.768 0.000 2.459 524 V HA 0.351 4.470 4.120 -0.000 0.000 0.295 524 V C -1.388 174.633 176.094 -0.121 0.000 1.029 524 V CA -0.694 61.436 62.300 -0.282 0.000 0.874 524 V CB 1.650 33.434 31.823 -0.065 0.000 0.985 524 V HN 0.355 nan 8.190 nan 0.000 0.438 525 Y N 4.354 124.501 120.300 -0.255 0.000 2.513 525 Y HA 0.679 5.229 4.550 -0.000 0.000 0.340 525 Y C -0.754 174.935 175.900 -0.352 0.000 1.055 525 Y CA -0.877 56.961 58.100 -0.436 0.000 1.020 525 Y CB 2.231 40.267 38.460 -0.706 0.000 1.301 525 Y HN 0.709 nan 8.280 nan 0.000 0.453 526 N N 2.682 120.662 118.700 -1.200 0.000 2.308 526 N HA 0.689 5.428 4.740 -0.000 0.000 0.283 526 N C -1.690 173.019 175.510 -1.335 0.000 1.105 526 N CA -0.265 52.212 53.050 -0.955 0.000 0.840 526 N CB 2.095 40.299 38.487 -0.472 0.000 1.633 526 N HN 0.868 nan 8.380 nan 0.000 0.476 527 A N 3.151 125.478 122.820 -0.821 0.000 2.450 527 A HA 0.408 4.728 4.320 -0.000 0.000 0.255 527 A C -2.138 175.237 177.584 -0.348 0.000 1.096 527 A CA -0.788 50.965 52.037 -0.472 0.000 0.778 527 A CB -0.363 18.582 19.000 -0.092 0.000 1.031 527 A HN 0.595 nan 8.150 nan 0.000 0.494 528 P HA 0.223 nan 4.420 nan 0.000 0.272 528 P C 0.757 177.985 177.300 -0.119 0.000 1.223 528 P CA 1.281 64.265 63.100 -0.195 0.000 0.784 528 P CB 0.658 32.270 31.700 -0.148 0.000 0.923 529 G N 0.743 109.481 108.800 -0.102 0.000 2.221 529 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.265 529 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.265 529 G C 0.431 175.296 174.900 -0.059 0.000 1.041 529 G CA 0.803 45.862 45.100 -0.067 0.000 0.807 529 G HN 0.880 nan 8.290 nan 0.000 0.502 530 T N -3.463 111.046 114.554 -0.076 0.000 1.812 530 T HA 0.679 5.029 4.350 -0.000 0.000 0.173 530 T C 1.143 175.812 174.700 -0.051 0.000 0.710 530 T CA 1.111 63.175 62.100 -0.059 0.000 1.065 530 T CB 0.379 69.207 68.868 -0.068 0.000 3.214 530 T HN 1.206 nan 8.240 nan 0.000 0.403 531 T N 0.565 115.087 114.554 -0.053 0.000 2.874 531 T HA 0.600 4.950 4.350 -0.000 0.000 0.281 531 T C -0.197 174.493 174.700 -0.017 0.000 0.994 531 T CA -0.686 61.398 62.100 -0.027 0.000 1.015 531 T CB 1.063 69.921 68.868 -0.016 0.000 1.028 531 T HN 0.425 nan 8.240 nan 0.000 0.523 532 S N 2.934 118.641 115.700 0.013 0.000 2.130 532 S HA 0.393 4.863 4.470 -0.000 0.000 0.165 532 S C -2.608 172.041 174.600 0.082 0.000 1.677 532 S CA -0.895 57.333 58.200 0.047 0.000 1.227 532 S CB 0.277 63.494 63.200 0.028 0.000 1.115 532 S HN 0.616 nan 8.310 nan 0.000 0.452 533 P HA 0.078 nan 4.420 nan 0.000 0.266 533 P C -0.596 176.732 177.300 0.047 0.000 1.195 533 P CA -0.224 62.918 63.100 0.070 0.000 0.768 533 P CB 0.494 32.224 31.700 0.050 0.000 0.838 534 V N 4.406 124.319 119.914 -0.001 0.000 2.385 534 V HA 0.153 4.273 4.120 -0.000 0.000 0.269 534 V C 0.327 176.377 176.094 -0.074 0.000 1.043 534 V CA -0.221 62.072 62.300 -0.012 0.000 0.906 534 V CB 1.155 32.979 31.823 0.001 0.000 0.995 534 V HN 0.225 nan 8.190 nan 0.000 0.467 535 V N 6.271 126.119 119.914 -0.110 0.000 2.417 535 V HA 0.502 4.622 4.120 -0.000 0.000 0.291 535 V C -0.213 175.846 176.094 -0.059 0.000 1.024 535 V CA -0.568 61.632 62.300 -0.167 0.000 0.861 535 V CB 1.587 33.176 31.823 -0.391 0.000 0.985 535 V HN 0.955 nan 8.190 nan 0.000 0.436 536 Q N 3.447 123.227 119.800 -0.034 0.000 2.372 536 Q HA 0.519 4.859 4.340 -0.000 0.000 0.273 536 Q C -0.364 175.648 176.000 0.020 0.000 1.078 536 Q CA -0.972 54.834 55.803 0.006 0.000 0.806 536 Q CB 1.947 30.688 28.738 0.005 0.000 1.332 536 Q HN 0.710 nan 8.270 nan 0.000 0.435 537 N N 0.483 119.211 118.700 0.046 0.000 2.754 537 N HA -0.183 4.556 4.740 -0.000 0.000 0.248 537 N C -1.022 174.538 175.510 0.083 0.000 1.093 537 N CA 0.451 53.536 53.050 0.058 0.000 0.699 537 N CB -1.048 37.461 38.487 0.037 0.000 1.016 537 N HN 0.514 nan 8.380 nan 0.000 0.552 538 L N 0.533 121.819 121.223 0.106 0.000 2.281 538 L HA 0.405 4.744 4.340 -0.000 0.000 0.285 538 L C -0.332 176.679 176.870 0.234 0.000 1.074 538 L CA -0.371 54.573 54.840 0.174 0.000 0.817 538 L CB 1.386 43.537 42.059 0.154 0.000 1.168 538 L HN -0.021 nan 8.230 nan 0.000 0.434 539 V N 6.209 126.296 119.914 0.288 0.000 2.407 539 V HA 0.291 4.411 4.120 -0.000 0.000 0.291 539 V C -0.905 175.465 176.094 0.460 0.000 1.018 539 V CA -0.584 61.895 62.300 0.299 0.000 0.842 539 V CB 1.566 33.501 31.823 0.188 0.000 0.996 539 V HN 0.827 nan 8.190 nan 0.000 0.426 540 W N 5.641 127.089 121.300 0.247 0.000 2.322 540 W HA 0.420 5.079 4.660 -0.000 0.000 0.321 540 W C -0.333 176.301 176.519 0.191 0.000 0.991 540 W CA -0.845 56.656 57.345 0.260 0.000 1.448 540 W CB 1.430 31.018 29.460 0.214 0.000 1.239 540 W HN 0.709 nan 8.180 nan 0.000 0.399 541 D N 3.006 123.481 120.400 0.125 0.000 2.362 541 D HA -0.023 4.616 4.640 -0.000 0.000 0.242 541 D C 1.484 177.860 176.300 0.126 0.000 1.132 541 D CA 0.522 54.588 54.000 0.111 0.000 0.907 541 D CB 1.386 42.212 40.800 0.044 0.000 1.195 541 D HN 0.378 nan 8.370 nan 0.000 0.429 542 K N 0.562 121.059 120.400 0.161 0.000 2.280 542 K HA -0.127 4.193 4.320 -0.000 0.000 0.202 542 K C 1.565 178.247 176.600 0.135 0.000 1.047 542 K CA 1.106 57.504 56.287 0.185 0.000 0.942 542 K CB -0.005 32.588 32.500 0.154 0.000 0.739 542 K HN 0.492 nan 8.250 nan 0.000 0.457 543 S N 0.346 116.086 115.700 0.067 0.000 2.555 543 S HA -0.020 4.450 4.470 -0.000 0.000 0.230 543 S C 0.411 175.005 174.600 -0.010 0.000 0.978 543 S CA -0.027 58.190 58.200 0.029 0.000 0.934 543 S CB -0.271 62.931 63.200 0.003 0.000 0.766 543 S HN 0.174 nan 8.310 nan 0.000 0.533 544 N N 2.199 120.875 118.700 -0.040 0.000 2.452 544 N HA 0.213 4.953 4.740 -0.000 0.000 0.266 544 N C -0.966 174.614 175.510 0.116 0.000 1.175 544 N CA 0.023 53.024 53.050 -0.081 0.000 0.945 544 N CB 1.523 39.774 38.487 -0.394 0.000 1.063 544 N HN 0.092 nan 8.380 nan 0.000 0.472 545 V N 4.529 124.474 119.914 0.051 0.000 2.406 545 V HA 0.304 4.424 4.120 -0.000 0.000 0.272 545 V C 0.708 176.891 176.094 0.148 0.000 1.043 545 V CA -0.547 61.804 62.300 0.086 0.000 0.915 545 V CB 0.795 32.623 31.823 0.008 0.000 0.988 545 V HN 0.451 nan 8.190 nan 0.000 0.466 546 I N 4.748 125.427 120.570 0.182 0.000 2.304 546 I HA 0.431 4.600 4.170 -0.000 0.000 0.291 546 I C 1.147 177.302 176.117 0.063 0.000 1.018 546 I CA 0.042 61.454 61.300 0.187 0.000 1.260 546 I CB 1.188 39.316 38.000 0.213 0.000 1.390 546 I HN 0.719 nan 8.210 nan 0.000 0.475 547 G N 3.493 112.330 108.800 0.063 0.000 2.621 547 G HA2 0.378 4.338 3.960 -0.000 0.000 0.271 547 G HA3 0.378 4.338 3.960 -0.000 0.000 0.271 547 G C 0.771 175.669 174.900 -0.003 0.000 1.236 547 G CA -0.190 44.921 45.100 0.018 0.000 0.958 547 G HN 0.787 nan 8.290 nan 0.000 0.512 548 G N -1.920 106.871 108.800 -0.015 0.000 3.519 548 G HA2 0.216 4.176 3.960 -0.000 0.000 0.269 548 G HA3 0.216 4.176 3.960 -0.000 0.000 0.269 548 G C 1.231 176.136 174.900 0.007 0.000 1.028 548 G CA 0.741 45.823 45.100 -0.031 0.000 0.809 548 G HN 0.562 nan 8.290 nan 0.000 0.521 549 T N 0.211 114.804 114.554 0.066 0.000 2.759 549 T HA -0.122 4.227 4.350 -0.000 0.000 0.269 549 T C 1.676 176.340 174.700 -0.059 0.000 1.042 549 T CA 0.900 63.031 62.100 0.051 0.000 1.140 549 T CB -0.275 68.695 68.868 0.169 0.000 0.864 549 T HN 0.460 nan 8.240 nan 0.000 0.455 550 H N 0.130 119.148 119.070 -0.087 0.000 2.529 550 H HA 0.518 5.073 4.556 -0.000 0.000 0.277 550 H C 1.067 176.334 175.328 -0.101 0.000 1.004 550 H CA -0.370 55.607 56.048 -0.117 0.000 1.167 550 H CB 0.054 29.716 29.762 -0.167 0.000 1.445 550 H HN 0.288 nan 8.280 nan 0.000 0.554 551 A N 1.467 124.291 122.820 0.007 0.000 2.531 551 A HA -0.055 4.265 4.320 -0.000 0.000 0.236 551 A C 0.823 178.390 177.584 -0.029 0.000 1.062 551 A CA 0.063 52.088 52.037 -0.019 0.000 0.760 551 A CB 0.052 19.033 19.000 -0.032 0.000 0.995 551 A HN 0.689 nan 8.150 nan 0.000 0.501 552 N N -0.138 118.550 118.700 -0.020 0.000 2.936 552 N HA -0.151 4.589 4.740 -0.000 0.000 0.236 552 N C 0.352 175.846 175.510 -0.028 0.000 0.930 552 N CA 1.522 54.560 53.050 -0.019 0.000 0.966 552 N CB -0.596 37.880 38.487 -0.019 0.000 1.090 552 N HN 0.816 nan 8.380 nan 0.000 0.592 553 Q N -0.005 119.772 119.800 -0.038 0.000 2.247 553 Q HA 0.220 4.560 4.340 -0.000 0.000 0.211 553 Q C 0.991 176.967 176.000 -0.041 0.000 0.861 553 Q CA 0.106 55.881 55.803 -0.046 0.000 0.949 553 Q CB 0.495 29.188 28.738 -0.075 0.000 1.115 553 Q HN 0.395 nan 8.270 nan 0.000 0.507 554 R N 0.637 121.114 120.500 -0.039 0.000 2.515 554 R HA 0.380 4.720 4.340 -0.000 0.000 0.294 554 R C 0.097 176.393 176.300 -0.007 0.000 1.021 554 R CA -0.184 55.881 56.100 -0.058 0.000 1.081 554 R CB 0.510 30.760 30.300 -0.082 0.000 1.263 554 R HN -0.013 nan 8.270 nan 0.000 0.557 555 A N 0.742 123.568 122.820 0.010 0.000 2.566 555 A HA 0.300 4.619 4.320 -0.000 0.000 0.245 555 A C 1.381 178.992 177.584 0.045 0.000 1.056 555 A CA 1.098 53.158 52.037 0.039 0.000 0.757 555 A CB -0.294 18.723 19.000 0.029 0.000 0.979 555 A HN 0.624 nan 8.150 nan 0.000 0.508 556 G N 1.616 110.463 108.800 0.079 0.000 2.184 556 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.264 556 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.264 556 G C 0.109 175.034 174.900 0.041 0.000 0.975 556 G CA 0.816 45.934 45.100 0.030 0.000 0.642 556 G HN 1.012 nan 8.290 nan 0.000 0.536 557 Q N -0.448 119.406 119.800 0.091 0.000 2.348 557 Q HA 0.561 4.901 4.340 -0.000 0.000 0.271 557 Q C -0.602 175.484 176.000 0.144 0.000 1.067 557 Q CA -0.745 55.121 55.803 0.105 0.000 0.839 557 Q CB 1.230 29.958 28.738 -0.017 0.000 1.354 557 Q HN 0.419 nan 8.270 nan 0.000 0.447 558 N N 1.132 119.954 118.700 0.202 0.000 2.424 558 N HA 0.152 4.891 4.740 -0.000 0.000 0.271 558 N C 0.150 175.756 175.510 0.159 0.000 0.985 558 N CA -0.318 52.834 53.050 0.169 0.000 0.921 558 N CB 1.545 40.114 38.487 0.136 0.000 1.149 558 N HN 0.447 nan 8.380 nan 0.000 0.492 559 L N 2.108 123.369 121.223 0.063 0.000 2.012 559 L HA 0.087 4.427 4.340 -0.000 0.000 0.210 559 L C -0.434 176.352 176.870 -0.140 0.000 1.073 559 L CA 1.892 56.706 54.840 -0.044 0.000 0.748 559 L CB -0.089 41.967 42.059 -0.006 0.000 0.891 559 L HN 0.464 nan 8.230 nan 0.000 0.431 560 F N 0.256 120.134 119.950 -0.121 0.000 2.361 560 F HA 0.310 4.837 4.527 -0.000 0.000 0.364 560 F C -0.129 175.537 175.800 -0.224 0.000 1.117 560 F CA -1.065 56.810 58.000 -0.209 0.000 1.071 560 F CB 0.704 39.504 39.000 -0.334 0.000 1.188 560 F HN -0.125 nan 8.300 nan 0.000 0.464 561 D N 4.873 125.228 120.400 -0.075 0.000 2.472 561 D HA 0.235 4.875 4.640 -0.000 0.000 0.234 561 D C -0.286 175.708 176.300 -0.510 0.000 1.088 561 D CA -0.346 53.525 54.000 -0.215 0.000 0.882 561 D CB 0.730 41.488 40.800 -0.070 0.000 1.037 561 D HN 0.228 nan 8.370 nan 0.000 0.520 562 M N 3.138 122.367 119.600 -0.619 0.000 3.586 562 M HA 0.110 4.590 4.480 -0.000 0.000 0.225 562 M C 0.072 175.738 176.300 -1.056 0.000 1.428 562 M CA -0.138 54.649 55.300 -0.855 0.000 1.613 562 M CB 0.006 32.094 32.600 -0.853 0.000 1.063 562 M HN 0.126 nan 8.290 nan 0.000 0.593 563 Q N 1.673 120.655 119.800 -1.363 0.000 3.027 563 Q HA 0.336 4.676 4.340 -0.000 0.000 0.260 563 Q C -0.975 174.554 176.000 -0.784 0.000 1.379 563 Q CA 0.297 55.583 55.803 -0.862 0.000 1.038 563 Q CB -0.457 27.868 28.738 -0.689 0.000 1.578 563 Q HN 0.286 nan 8.270 nan 0.000 0.571 564 F N -1.458 118.448 119.950 -0.074 0.000 2.611 564 F HA 0.495 5.022 4.527 -0.000 0.000 0.324 564 F C 1.098 176.899 175.800 0.001 0.000 1.061 564 F CA -1.366 56.614 58.000 -0.034 0.000 0.954 564 F CB 0.650 39.652 39.000 0.003 0.000 1.301 564 F HN 0.170 nan 8.300 nan 0.000 0.482 565 A N 0.476 123.424 122.820 0.214 0.000 1.897 565 A HA 0.265 4.584 4.320 -0.000 0.000 0.215 565 A C 0.447 178.115 177.584 0.140 0.000 1.181 565 A CA 1.536 53.648 52.037 0.126 0.000 0.620 565 A CB -0.483 18.567 19.000 0.083 0.000 0.821 565 A HN 0.819 nan 8.150 nan 0.000 0.443 566 S N -2.847 112.954 115.700 0.169 0.000 2.552 566 S HA 0.571 5.041 4.470 -0.000 0.000 0.272 566 S C -1.336 173.350 174.600 0.143 0.000 1.150 566 S CA -0.587 57.700 58.200 0.144 0.000 0.849 566 S CB 1.521 64.774 63.200 0.088 0.000 1.113 566 S HN 0.528 nan 8.310 nan 0.000 0.458 567 V N 1.611 121.620 119.914 0.159 0.000 2.525 567 V HA 0.845 4.965 4.120 -0.000 0.000 0.299 567 V C -0.819 175.350 176.094 0.124 0.000 1.034 567 V CA -0.562 61.828 62.300 0.149 0.000 0.863 567 V CB 1.437 33.439 31.823 0.299 0.000 0.999 567 V HN 0.955 nan 8.190 nan 0.000 0.423 568 V N 4.848 124.823 119.914 0.102 0.000 2.925 568 V HA 0.594 4.714 4.120 -0.000 0.000 0.311 568 V C 0.117 176.279 176.094 0.113 0.000 1.104 568 V CA -0.516 61.856 62.300 0.120 0.000 0.954 568 V CB 2.222 34.102 31.823 0.094 0.000 1.022 568 V HN 0.972 nan 8.190 nan 0.000 0.427 569 N N 2.681 121.471 118.700 0.149 0.000 2.727 569 N HA -0.143 4.596 4.740 -0.000 0.000 0.249 569 N C -0.208 175.372 175.510 0.116 0.000 1.048 569 N CA 1.381 54.506 53.050 0.124 0.000 0.714 569 N CB -0.847 37.680 38.487 0.067 0.000 0.959 569 N HN 0.650 nan 8.380 nan 0.000 0.544 570 S N -0.672 115.113 115.700 0.142 0.000 2.568 570 S HA 0.670 5.139 4.470 -0.000 0.000 0.302 570 S C 0.209 174.911 174.600 0.170 0.000 1.082 570 S CA -0.524 57.769 58.200 0.155 0.000 1.009 570 S CB 2.540 65.839 63.200 0.164 0.000 1.069 570 S HN 0.130 nan 8.310 nan 0.000 0.500 571 T N 2.793 117.458 114.554 0.185 0.000 2.840 571 T HA 0.508 4.858 4.350 -0.000 0.000 0.287 571 T C -0.984 173.847 174.700 0.219 0.000 0.991 571 T CA -0.432 61.779 62.100 0.186 0.000 0.964 571 T CB 0.460 69.431 68.868 0.172 0.000 0.954 571 T HN 0.344 nan 8.240 nan 0.000 0.438 572 I N 3.351 124.016 120.570 0.159 0.000 2.448 572 I HA 0.327 4.497 4.170 -0.000 0.000 0.281 572 I C 0.031 176.166 176.117 0.031 0.000 1.027 572 I CA -0.641 60.687 61.300 0.046 0.000 1.111 572 I CB 1.596 39.467 38.000 -0.216 0.000 1.236 572 I HN 0.677 nan 8.210 nan 0.000 0.452 573 E N 5.591 125.895 120.200 0.172 0.000 2.070 573 E HA 0.353 4.703 4.350 -0.000 0.000 0.261 573 E C -0.676 176.037 176.600 0.189 0.000 0.926 573 E CA -0.492 56.012 56.400 0.173 0.000 0.760 573 E CB 2.104 31.934 29.700 0.216 0.000 1.133 573 E HN 0.271 nan 8.360 nan 0.000 0.420 574 V N 3.357 123.283 119.914 0.020 0.000 2.455 574 V HA 0.088 4.208 4.120 -0.000 0.000 0.273 574 V C 0.035 176.234 176.094 0.175 0.000 1.045 574 V CA -0.209 62.115 62.300 0.039 0.000 0.976 574 V CB 0.967 32.727 31.823 -0.105 0.000 0.993 574 V HN 0.581 nan 8.190 nan 0.000 0.475 575 Q N 4.915 124.869 119.800 0.257 0.000 2.320 575 Q HA 0.532 4.872 4.340 -0.000 0.000 0.268 575 Q C -1.093 175.046 176.000 0.231 0.000 1.023 575 Q CA -0.274 55.675 55.803 0.243 0.000 0.744 575 Q CB 1.435 30.316 28.738 0.238 0.000 1.246 575 Q HN 0.722 nan 8.270 nan 0.000 0.462 576 L N 1.828 123.184 121.223 0.220 0.000 2.453 576 L HA 0.427 4.766 4.340 -0.000 0.000 0.261 576 L C 0.502 177.356 176.870 -0.028 0.000 1.179 576 L CA -0.287 54.623 54.840 0.117 0.000 0.813 576 L CB 1.043 43.191 42.059 0.149 0.000 1.110 576 L HN 0.737 nan 8.230 nan 0.000 0.466 577 S N -0.634 114.828 115.700 -0.396 0.000 2.666 577 S HA 0.213 4.683 4.470 -0.000 0.000 0.239 577 S C -0.304 173.332 174.600 -1.607 0.000 1.031 577 S CA -0.454 57.237 58.200 -0.848 0.000 1.015 577 S CB 0.193 63.184 63.200 -0.348 0.000 0.981 577 S HN 0.800 nan 8.310 nan 0.000 0.547 578 C N 0.050 118.486 119.300 -1.440 0.000 3.275 578 C HA 0.569 5.029 4.460 -0.000 0.000 0.340 578 C C -1.112 173.534 174.990 -0.573 0.000 1.366 578 C CA -1.343 56.893 59.018 -1.303 0.000 1.227 578 C CB 0.436 27.843 27.740 -0.555 0.000 1.512 578 C HN 0.271 nan 8.230 nan 0.000 0.461 579 E N 0.950 121.055 120.200 -0.159 0.000 2.392 579 E HA 0.364 4.714 4.350 -0.000 0.000 0.264 579 E C -0.942 175.659 176.600 0.002 0.000 1.024 579 E CA 0.545 56.992 56.400 0.078 0.000 0.903 579 E CB 0.622 30.419 29.700 0.163 0.000 0.963 579 E HN 0.644 nan 8.360 nan 0.000 0.432 580 D N 3.362 123.779 120.400 0.028 0.000 2.363 580 D HA 0.126 4.766 4.640 -0.000 0.000 0.258 580 D C 0.050 176.367 176.300 0.028 0.000 1.259 580 D CA -0.281 53.727 54.000 0.014 0.000 0.921 580 D CB 0.275 41.072 40.800 -0.006 0.000 1.201 580 D HN 0.326 nan 8.370 nan 0.000 0.524 581 L N 1.643 122.887 121.223 0.035 0.000 2.610 581 L HA -0.001 4.339 4.340 -0.000 0.000 0.232 581 L C 2.121 179.007 176.870 0.026 0.000 1.149 581 L CA 0.595 55.455 54.840 0.034 0.000 0.872 581 L CB -0.255 41.828 42.059 0.040 0.000 0.992 581 L HN 0.316 nan 8.230 nan 0.000 0.447 582 S N -0.009 115.704 115.700 0.022 0.000 2.436 582 S HA -0.066 4.403 4.470 -0.000 0.000 0.228 582 S C 1.107 175.731 174.600 0.040 0.000 1.014 582 S CA -0.216 58.000 58.200 0.026 0.000 0.950 582 S CB -0.280 62.928 63.200 0.012 0.000 0.784 582 S HN 0.440 nan 8.310 nan 0.000 0.504 583 M N -0.070 119.547 119.600 0.029 0.000 2.248 583 M HA 0.340 4.820 4.480 -0.000 0.000 0.337 583 M C 0.864 177.214 176.300 0.083 0.000 1.121 583 M CA -0.303 55.025 55.300 0.047 0.000 1.155 583 M CB 0.108 32.717 32.600 0.015 0.000 1.514 583 M HN 0.054 nan 8.290 nan 0.000 0.452 584 F N 2.453 122.398 119.950 -0.008 0.000 2.146 584 F HA -0.007 4.520 4.527 -0.000 0.000 0.298 584 F C 0.845 176.639 175.800 -0.010 0.000 1.096 584 F CA 1.408 59.406 58.000 -0.004 0.000 1.275 584 F CB 0.174 39.172 39.000 -0.004 0.000 1.008 584 F HN 0.867 nan 8.300 nan 0.000 0.480 585 S N -2.917 112.782 115.700 -0.003 0.000 2.588 585 S HA 0.248 4.718 4.470 -0.000 0.000 0.269 585 S C 0.236 174.827 174.600 -0.015 0.000 1.157 585 S CA -0.516 57.623 58.200 -0.100 0.000 0.824 585 S CB 0.762 63.894 63.200 -0.113 0.000 1.126 585 S HN 0.104 nan 8.310 nan 0.000 0.464 586 C N 1.082 120.361 119.300 -0.034 0.000 2.466 586 C HA 0.415 4.875 4.460 -0.000 0.000 0.278 586 C C 1.038 176.055 174.990 0.044 0.000 1.288 586 C CA 0.221 59.256 59.018 0.029 0.000 1.722 586 C CB -1.210 26.539 27.740 0.015 0.000 2.017 586 C HN 0.738 nan 8.230 nan 0.000 0.488 587 I N -0.329 120.179 120.570 -0.103 0.000 2.692 587 I HA 0.589 4.759 4.170 -0.000 0.000 0.293 587 I C -1.733 174.196 176.117 -0.314 0.000 1.200 587 I CA -0.665 60.515 61.300 -0.199 0.000 1.036 587 I CB 1.565 39.370 38.000 -0.326 0.000 1.258 587 I HN 0.105 nan 8.210 nan 0.000 0.421 588 L N 7.097 128.108 121.223 -0.353 0.000 2.436 588 L HA 0.614 4.954 4.340 -0.000 0.000 0.268 588 L C -1.881 174.709 176.870 -0.467 0.000 0.974 588 L CA -0.275 54.378 54.840 -0.311 0.000 0.826 588 L CB 1.806 43.807 42.059 -0.096 0.000 1.291 588 L HN 0.517 nan 8.230 nan 0.000 0.406 589 F N 6.084 125.873 119.950 -0.269 0.000 2.402 589 F HA 0.545 5.072 4.527 -0.000 0.000 0.355 589 F C -1.956 173.784 175.800 -0.100 0.000 1.123 589 F CA -1.922 55.984 58.000 -0.157 0.000 1.021 589 F CB 1.379 40.326 39.000 -0.088 0.000 1.160 589 F HN 0.310 nan 8.300 nan 0.000 0.451 590 P HA 0.080 nan 4.420 nan 0.000 0.272 590 P C 0.144 177.484 177.300 0.067 0.000 1.230 590 P CA -0.055 63.057 63.100 0.021 0.000 0.788 590 P CB 1.175 32.847 31.700 -0.045 0.000 0.949 591 A N 2.210 125.056 122.820 0.043 0.000 2.024 591 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 591 A C 2.083 179.691 177.584 0.040 0.000 1.164 591 A CA 2.138 54.201 52.037 0.044 0.000 0.643 591 A CB -1.686 17.330 19.000 0.027 0.000 0.806 591 A HN 0.664 nan 8.150 nan 0.000 0.451 592 S N -2.033 113.684 115.700 0.029 0.000 2.555 592 S HA -0.019 4.451 4.470 -0.000 0.000 0.230 592 S C 0.738 175.370 174.600 0.055 0.000 0.978 592 S CA 0.437 58.654 58.200 0.028 0.000 0.934 592 S CB -1.231 61.972 63.200 0.005 0.000 0.766 592 S HN 0.563 nan 8.310 nan 0.000 0.533 593 C N 3.294 122.648 119.300 0.090 0.000 2.246 593 C HA 0.426 4.886 4.460 -0.000 0.000 0.329 593 C C 0.348 175.418 174.990 0.134 0.000 1.221 593 C CA -0.825 58.286 59.018 0.155 0.000 1.697 593 C CB -0.678 27.218 27.740 0.261 0.000 2.312 593 C HN 0.579 nan 8.230 nan 0.000 0.509 594 Q N 3.005 122.867 119.800 0.104 0.000 2.373 594 Q HA 0.476 4.816 4.340 -0.000 0.000 0.255 594 Q C -0.765 175.270 176.000 0.059 0.000 0.980 594 Q CA 0.004 55.844 55.803 0.062 0.000 0.882 594 Q CB 1.295 30.066 28.738 0.055 0.000 1.249 594 Q HN 0.676 nan 8.270 nan 0.000 0.438 595 L N 1.616 122.828 121.223 -0.018 0.000 2.439 595 L HA 0.517 4.857 4.340 -0.000 0.000 0.270 595 L C -1.315 175.523 176.870 -0.054 0.000 0.972 595 L CA 0.075 54.873 54.840 -0.070 0.000 0.836 595 L CB 2.097 43.969 42.059 -0.311 0.000 1.255 595 L HN 0.750 nan 8.230 nan 0.000 0.404 596 S N 2.313 118.029 115.700 0.027 0.000 2.579 596 S HA 0.628 5.098 4.470 -0.000 0.000 0.272 596 S C -0.762 173.946 174.600 0.180 0.000 1.141 596 S CA -0.642 57.592 58.200 0.056 0.000 0.843 596 S CB 0.858 64.155 63.200 0.161 0.000 1.122 596 S HN 0.582 nan 8.310 nan 0.000 0.468 597 Y N -0.272 120.065 120.300 0.062 0.000 2.981 597 Y HA -0.164 4.386 4.550 -0.000 0.000 0.204 597 Y C 0.388 176.368 175.900 0.134 0.000 1.265 597 Y CA 0.980 59.154 58.100 0.123 0.000 0.941 597 Y CB -1.994 36.520 38.460 0.090 0.000 1.254 597 Y HN 0.794 nan 8.280 nan 0.000 0.469 598 S N -0.212 115.629 115.700 0.234 0.000 2.588 598 S HA 0.630 5.099 4.470 -0.000 0.000 0.275 598 S C -0.697 174.043 174.600 0.233 0.000 1.130 598 S CA -1.395 56.926 58.200 0.202 0.000 0.855 598 S CB 2.696 65.989 63.200 0.154 0.000 1.116 598 S HN 0.273 nan 8.310 nan 0.000 0.472 599 K N 2.172 122.689 120.400 0.195 0.000 2.413 599 K HA 0.553 4.873 4.320 -0.000 0.000 0.257 599 K C -1.577 175.139 176.600 0.193 0.000 0.946 599 K CA -0.532 55.873 56.287 0.197 0.000 0.823 599 K CB 0.495 33.067 32.500 0.121 0.000 1.109 599 K HN 0.471 nan 8.250 nan 0.000 0.427 600 I N 4.538 125.238 120.570 0.217 0.000 2.439 600 I HA 0.195 4.365 4.170 -0.000 0.000 0.283 600 I C -0.239 176.019 176.117 0.235 0.000 1.023 600 I CA -0.516 60.920 61.300 0.226 0.000 1.100 600 I CB 1.256 39.461 38.000 0.341 0.000 1.238 600 I HN 0.716 nan 8.210 nan 0.000 0.445 601 T N 2.966 117.622 114.554 0.170 0.000 2.876 601 T HA 0.783 5.133 4.350 -0.000 0.000 0.289 601 T C -0.662 174.123 174.700 0.141 0.000 1.014 601 T CA -0.733 61.482 62.100 0.190 0.000 0.986 601 T CB 2.410 71.382 68.868 0.175 0.000 1.021 601 T HN 0.132 nan 8.240 nan 0.000 0.458 602 V N 2.608 122.635 119.914 0.188 0.000 2.376 602 V HA 0.355 4.475 4.120 -0.000 0.000 0.287 602 V C 0.034 176.229 176.094 0.167 0.000 1.015 602 V CA -0.847 61.544 62.300 0.152 0.000 0.834 602 V CB 1.051 32.966 31.823 0.152 0.000 1.001 602 V HN 1.115 nan 8.190 nan 0.000 0.428 603 D N 3.080 123.576 120.400 0.160 0.000 2.443 603 D HA 0.044 4.683 4.640 -0.000 0.000 0.239 603 D C 1.461 177.852 176.300 0.152 0.000 1.136 603 D CA 0.797 54.893 54.000 0.160 0.000 0.879 603 D CB 1.321 42.227 40.800 0.178 0.000 1.195 603 D HN 0.659 nan 8.370 nan 0.000 0.443 604 S N 2.323 118.094 115.700 0.118 0.000 2.489 604 S HA 0.036 4.505 4.470 -0.000 0.000 0.228 604 S C 0.975 175.623 174.600 0.079 0.000 0.995 604 S CA 0.002 58.252 58.200 0.085 0.000 0.934 604 S CB -0.141 63.081 63.200 0.036 0.000 0.771 604 S HN 0.591 nan 8.310 nan 0.000 0.522 605 A N 1.398 124.272 122.820 0.090 0.000 2.546 605 A HA 0.326 4.646 4.320 -0.000 0.000 0.243 605 A C 0.711 178.457 177.584 0.269 0.000 1.063 605 A CA 0.168 52.201 52.037 -0.008 0.000 0.757 605 A CB -0.954 18.009 19.000 -0.060 0.000 0.991 605 A HN 0.715 nan 8.150 nan 0.000 0.503 606 W N 0.517 121.844 121.300 0.044 0.000 2.589 606 W HA -0.266 4.394 4.660 -0.000 0.000 0.272 606 W C 1.253 177.794 176.519 0.036 0.000 1.060 606 W CA 1.262 58.631 57.345 0.039 0.000 0.533 606 W CB -2.277 27.209 29.460 0.043 0.000 2.084 606 W HN 1.105 nan 8.180 nan 0.000 1.371 607 T N -2.660 112.002 114.554 0.180 0.000 3.054 607 T HA 0.069 4.419 4.350 -0.000 0.000 0.255 607 T C 1.664 176.410 174.700 0.076 0.000 1.035 607 T CA 0.651 62.828 62.100 0.129 0.000 0.941 607 T CB 0.281 69.222 68.868 0.121 0.000 1.026 607 T HN 0.328 nan 8.240 nan 0.000 0.533 608 K N 1.609 122.039 120.400 0.051 0.000 2.160 608 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 608 K C 1.678 178.296 176.600 0.031 0.000 1.047 608 K CA 1.767 58.069 56.287 0.025 0.000 0.930 608 K CB -0.447 32.054 32.500 0.002 0.000 0.720 608 K HN 0.262 nan 8.250 nan 0.000 0.450 609 S N 0.497 116.222 115.700 0.042 0.000 2.577 609 S HA 0.248 4.718 4.470 -0.000 0.000 0.219 609 S C 0.118 174.737 174.600 0.030 0.000 0.962 609 S CA -0.332 57.890 58.200 0.036 0.000 0.921 609 S CB -0.006 63.219 63.200 0.041 0.000 0.789 609 S HN 0.242 nan 8.310 nan 0.000 0.497 610 M N 1.739 121.358 119.600 0.031 0.000 2.146 610 M HA 0.184 4.664 4.480 -0.000 0.000 0.357 610 M C 1.381 177.679 176.300 -0.003 0.000 1.261 610 M CA -0.365 54.940 55.300 0.009 0.000 1.106 610 M CB 1.259 33.867 32.600 0.014 0.000 1.612 610 M HN 0.210 nan 8.290 nan 0.000 0.470 611 S N 2.274 117.954 115.700 -0.033 0.000 2.406 611 S HA 0.022 4.492 4.470 -0.000 0.000 0.228 611 S C 0.488 175.052 174.600 -0.059 0.000 1.020 611 S CA 0.553 58.733 58.200 -0.034 0.000 0.965 611 S CB -0.076 63.097 63.200 -0.044 0.000 0.798 611 S HN 0.745 nan 8.310 nan 0.000 0.488 612 N N 1.326 119.936 118.700 -0.149 0.000 2.448 612 N HA 0.315 5.055 4.740 -0.000 0.000 0.279 612 N C 0.293 175.714 175.510 -0.149 0.000 1.025 612 N CA 0.241 53.171 53.050 -0.199 0.000 0.898 612 N CB 2.125 40.319 38.487 -0.488 0.000 1.303 612 N HN 0.473 nan 8.380 nan 0.000 0.495 613 T N -1.060 113.455 114.554 -0.066 0.000 3.082 613 T HA 0.336 4.685 4.350 -0.000 0.000 0.235 613 T C 0.720 175.311 174.700 -0.181 0.000 0.991 613 T CA 0.102 62.173 62.100 -0.048 0.000 1.220 613 T CB 0.146 69.070 68.868 0.092 0.000 0.909 613 T HN 0.424 nan 8.240 nan 0.000 0.424 614 A N 1.178 123.765 122.820 -0.389 0.000 2.331 614 A HA 0.731 5.051 4.320 -0.000 0.000 0.320 614 A C -0.983 176.233 177.584 -0.614 0.000 1.138 614 A CA -0.680 50.976 52.037 -0.636 0.000 0.790 614 A CB 1.742 20.196 19.000 -0.910 0.000 1.206 614 A HN 0.363 nan 8.150 nan 0.000 0.470 615 V N 2.292 121.866 119.914 -0.568 0.000 2.487 615 V HA 0.480 4.599 4.120 -0.000 0.000 0.298 615 V C -1.361 174.447 176.094 -0.476 0.000 1.028 615 V CA -0.180 61.924 62.300 -0.327 0.000 0.860 615 V CB 1.107 32.870 31.823 -0.099 0.000 0.991 615 V HN 0.722 nan 8.190 nan 0.000 0.427 616 F N 2.649 122.578 119.950 -0.035 0.000 2.443 616 F HA 0.437 4.964 4.527 -0.000 0.000 0.369 616 F C 1.302 177.092 175.800 -0.017 0.000 1.090 616 F CA -0.484 57.504 58.000 -0.021 0.000 1.129 616 F CB 1.209 40.108 39.000 -0.168 0.000 1.367 616 F HN 0.531 nan 8.300 nan 0.000 0.465 617 E N 1.706 121.983 120.200 0.129 0.000 2.338 617 E HA -0.062 4.288 4.350 -0.000 0.000 0.197 617 E C 1.780 178.421 176.600 0.068 0.000 1.007 617 E CA 0.693 57.144 56.400 0.085 0.000 0.849 617 E CB 0.223 29.958 29.700 0.058 0.000 0.774 617 E HN 0.806 nan 8.360 nan 0.000 0.506 618 G N 0.502 109.346 108.800 0.075 0.000 3.690 618 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.283 618 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.283 618 G C -0.073 174.831 174.900 0.006 0.000 1.057 618 G CA -0.497 44.625 45.100 0.037 0.000 0.821 618 G HN 0.022 nan 8.290 nan 0.000 0.526 619 N N 0.034 118.739 118.700 0.008 0.000 2.721 619 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 619 N C 1.326 176.720 175.510 -0.193 0.000 1.072 619 N CA 1.009 54.004 53.050 -0.090 0.000 0.710 619 N CB -0.993 37.452 38.487 -0.070 0.000 0.993 619 N HN 0.501 nan 8.380 nan 0.000 0.547 620 Q N 0.080 119.783 119.800 -0.162 0.000 2.364 620 Q HA -0.106 4.233 4.340 -0.000 0.000 0.207 620 Q C 2.179 177.891 176.000 -0.480 0.000 0.970 620 Q CA 1.273 56.933 55.803 -0.239 0.000 0.888 620 Q CB -0.007 28.637 28.738 -0.158 0.000 0.951 620 Q HN 0.628 nan 8.270 nan 0.000 0.469 621 Q N -0.300 118.973 119.800 -0.878 0.000 2.436 621 Q HA 0.013 4.353 4.340 -0.000 0.000 0.209 621 Q C 1.276 176.903 176.000 -0.621 0.000 0.965 621 Q CA 1.305 56.454 55.803 -1.091 0.000 0.910 621 Q CB -0.082 27.535 28.738 -1.869 0.000 0.980 621 Q HN 0.328 nan 8.270 nan 0.000 0.491 622 A N 1.220 123.776 122.820 -0.439 0.000 2.206 622 A HA 0.282 4.602 4.320 -0.000 0.000 0.211 622 A C 1.259 178.752 177.584 -0.151 0.000 1.158 622 A CA 0.406 52.335 52.037 -0.180 0.000 0.761 622 A CB -0.658 18.283 19.000 -0.098 0.000 0.801 622 A HN 0.455 nan 8.150 nan 0.000 0.473 623 G N -1.593 107.080 108.800 -0.212 0.000 2.484 623 G HA2 0.362 4.322 3.960 -0.000 0.000 0.235 623 G HA3 0.362 4.322 3.960 -0.000 0.000 0.235 623 G C 1.083 175.850 174.900 -0.221 0.000 1.282 623 G CA 0.082 45.066 45.100 -0.194 0.000 0.857 623 G HN 0.611 nan 8.290 nan 0.000 0.571 624 A N 1.994 124.688 122.820 -0.210 0.000 2.019 624 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 624 A C 1.729 179.101 177.584 -0.353 0.000 1.164 624 A CA 1.146 53.048 52.037 -0.225 0.000 0.644 624 A CB -0.042 18.860 19.000 -0.163 0.000 0.805 624 A HN 0.608 nan 8.150 nan 0.000 0.449 625 N N -0.227 118.199 118.700 -0.457 0.000 2.338 625 N HA 0.220 4.959 4.740 -0.000 0.000 0.251 625 N C -0.983 174.282 175.510 -0.408 0.000 1.199 625 N CA 0.100 52.804 53.050 -0.577 0.000 0.879 625 N CB 1.329 39.137 38.487 -1.133 0.000 1.159 625 N HN 0.149 nan 8.380 nan 0.000 0.514 626 V N 1.640 121.319 119.914 -0.391 0.000 2.394 626 V HA 0.325 4.445 4.120 -0.000 0.000 0.282 626 V C -0.800 175.120 176.094 -0.288 0.000 1.031 626 V CA -0.524 61.641 62.300 -0.226 0.000 0.881 626 V CB 0.652 32.329 31.823 -0.245 0.000 0.982 626 V HN 0.105 nan 8.190 nan 0.000 0.451 627 Y N 4.321 124.607 120.300 -0.023 0.000 2.356 627 Y HA 0.672 5.222 4.550 -0.000 0.000 0.334 627 Y C 0.053 175.996 175.900 0.071 0.000 0.958 627 Y CA -0.863 57.257 58.100 0.033 0.000 1.196 627 Y CB 1.919 40.407 38.460 0.048 0.000 1.137 627 Y HN 0.521 nan 8.280 nan 0.000 0.485 628 V N -0.088 119.954 119.914 0.214 0.000 2.971 628 V HA 0.960 5.080 4.120 -0.000 0.000 0.309 628 V C -0.752 175.513 176.094 0.284 0.000 1.130 628 V CA -1.076 61.374 62.300 0.250 0.000 0.964 628 V CB 1.860 33.792 31.823 0.182 0.000 1.029 628 V HN 0.638 nan 8.190 nan 0.000 0.427 629 S N 2.701 118.592 115.700 0.319 0.000 2.572 629 S HA 0.938 5.407 4.470 -0.000 0.000 0.274 629 S C -1.192 173.612 174.600 0.340 0.000 1.150 629 S CA -0.638 57.705 58.200 0.239 0.000 0.944 629 S CB 1.607 64.916 63.200 0.181 0.000 1.071 629 S HN 2.307 nan 8.310 nan 0.000 0.479 630 Y N -1.663 118.750 120.300 0.188 0.000 2.604 630 Y HA 0.799 5.349 4.550 -0.000 0.000 0.331 630 Y C -3.628 172.336 175.900 0.107 0.000 1.158 630 Y CA -2.382 55.806 58.100 0.148 0.000 1.056 630 Y CB 0.311 38.879 38.460 0.179 0.000 1.330 630 Y HN 0.467 nan 8.280 nan 0.000 0.457 631 P HA 0.606 nan 4.420 nan 0.000 0.277 631 P C -1.023 176.375 177.300 0.163 0.000 1.240 631 P CA 0.029 63.179 63.100 0.084 0.000 0.798 631 P CB 1.413 33.152 31.700 0.065 0.000 0.979 632 A N 1.028 123.884 122.820 0.061 0.000 2.604 632 A HA 0.626 4.946 4.320 -0.000 0.000 0.295 632 A C -0.844 176.755 177.584 0.025 0.000 1.067 632 A CA -0.443 51.657 52.037 0.104 0.000 0.683 632 A CB 0.688 19.800 19.000 0.187 0.000 1.281 632 A HN 0.370 nan 8.150 nan 0.000 0.407 633 T N 1.296 115.877 114.554 0.046 0.000 2.817 633 T HA 0.547 4.897 4.350 -0.000 0.000 0.293 633 T C -0.348 174.365 174.700 0.022 0.000 0.964 633 T CA -0.092 62.017 62.100 0.016 0.000 1.085 633 T CB 0.691 69.576 68.868 0.029 0.000 0.921 633 T HN 0.694 nan 8.240 nan 0.000 0.502 634 V N 4.112 124.000 119.914 -0.043 0.000 2.709 634 V HA 0.437 4.557 4.120 -0.000 0.000 0.308 634 V C -0.426 175.644 176.094 -0.041 0.000 1.062 634 V CA -1.231 61.029 62.300 -0.066 0.000 0.901 634 V CB 2.148 33.795 31.823 -0.293 0.000 1.003 634 V HN 0.735 nan 8.190 nan 0.000 0.425 635 N N 3.893 122.603 118.700 0.017 0.000 2.438 635 N HA 0.737 5.477 4.740 -0.000 0.000 0.282 635 N C -0.954 174.588 175.510 0.053 0.000 1.037 635 N CA -0.219 52.858 53.050 0.046 0.000 0.942 635 N CB 1.688 40.215 38.487 0.066 0.000 1.136 635 N HN 0.546 nan 8.380 nan 0.000 0.481 636 L N 0.801 122.083 121.223 0.098 0.000 2.370 636 L HA 0.608 4.948 4.340 -0.000 0.000 0.266 636 L C 0.032 177.020 176.870 0.197 0.000 1.002 636 L CA -0.601 54.340 54.840 0.167 0.000 0.818 636 L CB 2.328 44.537 42.059 0.251 0.000 1.325 636 L HN 0.313 nan 8.230 nan 0.000 0.418 637 T N 0.091 114.738 114.554 0.155 0.000 2.893 637 T HA 0.523 4.873 4.350 -0.000 0.000 0.293 637 T C -0.483 174.139 174.700 -0.129 0.000 1.027 637 T CA -0.703 61.412 62.100 0.026 0.000 0.988 637 T CB 1.937 70.828 68.868 0.039 0.000 1.043 637 T HN 0.709 nan 8.240 nan 0.000 0.461 638 S N 1.618 117.035 115.700 -0.472 0.000 2.722 638 S HA 0.736 5.206 4.470 -0.000 0.000 0.292 638 S C -0.623 173.874 174.600 -0.172 0.000 1.135 638 S CA -0.722 57.047 58.200 -0.718 0.000 1.003 638 S CB 0.541 62.814 63.200 -1.545 0.000 1.067 638 S HN 0.452 nan 8.310 nan 0.000 0.546 639 Y N 1.939 122.127 120.300 -0.187 0.000 2.260 639 Y HA 0.252 4.802 4.550 -0.000 0.000 0.339 639 Y C 2.042 177.838 175.900 -0.174 0.000 1.317 639 Y CA -1.106 56.931 58.100 -0.104 0.000 1.514 639 Y CB 0.228 38.685 38.460 -0.005 0.000 1.382 639 Y HN 0.904 nan 8.280 nan 0.000 0.581 640 N N -0.726 117.992 118.700 0.029 0.000 2.422 640 N HA -0.065 4.675 4.740 -0.000 0.000 0.181 640 N C -0.279 175.199 175.510 -0.053 0.000 1.080 640 N CA 0.266 53.283 53.050 -0.055 0.000 0.893 640 N CB -0.604 37.841 38.487 -0.069 0.000 0.973 640 N HN 0.449 nan 8.380 nan 0.000 0.456 641 T N 2.244 116.789 114.554 -0.014 0.000 2.849 641 T HA -0.112 4.237 4.350 -0.000 0.000 0.289 641 T C 0.293 174.955 174.700 -0.065 0.000 1.010 641 T CA 0.190 62.277 62.100 -0.021 0.000 1.161 641 T CB 0.754 69.638 68.868 0.028 0.000 0.989 641 T HN 0.212 nan 8.240 nan 0.000 0.523 642 Q N 1.824 121.581 119.800 -0.071 0.000 2.352 642 Q HA 0.412 4.752 4.340 -0.000 0.000 0.260 642 Q C 0.804 176.715 176.000 -0.149 0.000 0.976 642 Q CA 1.057 56.791 55.803 -0.115 0.000 0.881 642 Q CB 0.629 29.323 28.738 -0.074 0.000 1.235 642 Q HN 1.060 nan 8.270 nan 0.000 0.419 643 G N 2.354 110.946 108.800 -0.347 0.000 2.482 643 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.214 643 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.214 643 G C -0.783 173.921 174.900 -0.327 0.000 1.271 643 G CA -0.228 44.634 45.100 -0.397 0.000 0.944 643 G HN 1.034 nan 8.290 nan 0.000 0.568 644 A N -0.874 122.002 122.820 0.092 0.000 2.524 644 A HA 0.602 4.922 4.320 -0.000 0.000 0.250 644 A C 0.425 178.048 177.584 0.065 0.000 1.078 644 A CA 1.015 53.158 52.037 0.176 0.000 0.761 644 A CB 0.676 19.783 19.000 0.178 0.000 1.012 644 A HN 2.300 nan 8.150 nan 0.000 0.500 645 V N 5.234 125.196 119.914 0.079 0.000 2.888 645 V HA 0.673 4.793 4.120 -0.000 0.000 0.309 645 V C -2.635 173.483 176.094 0.040 0.000 1.114 645 V CA -1.938 60.387 62.300 0.042 0.000 0.940 645 V CB 2.836 34.654 31.823 -0.009 0.000 1.021 645 V HN 0.847 nan 8.190 nan 0.000 0.426 646 P HA 0.388 nan 4.420 nan 0.000 0.284 646 P C -1.436 175.629 177.300 -0.391 0.000 1.253 646 P CA -0.125 62.785 63.100 -0.316 0.000 0.800 646 P CB 0.841 32.191 31.700 -0.583 0.000 0.961 647 F N 1.956 121.602 119.950 -0.506 0.000 2.469 647 F HA 0.501 5.028 4.527 -0.000 0.000 0.332 647 F C 0.120 175.628 175.800 -0.487 0.000 1.103 647 F CA -0.334 57.480 58.000 -0.309 0.000 0.979 647 F CB 1.165 40.140 39.000 -0.042 0.000 1.137 647 F HN 0.151 nan 8.300 nan 0.000 0.463 648 F N 0.386 120.373 119.950 0.062 0.000 2.532 648 F HA 0.475 5.002 4.527 -0.000 0.000 0.321 648 F C 0.178 175.995 175.800 0.029 0.000 1.089 648 F CA -1.209 56.801 58.000 0.017 0.000 0.926 648 F CB 1.851 40.812 39.000 -0.066 0.000 1.168 648 F HN 0.391 nan 8.300 nan 0.000 0.459 649 S N -0.789 115.010 115.700 0.166 0.000 2.562 649 S HA 0.120 4.590 4.470 -0.000 0.000 0.281 649 S C 1.078 175.767 174.600 0.148 0.000 1.333 649 S CA 0.033 58.286 58.200 0.088 0.000 1.052 649 S CB 1.118 64.311 63.200 -0.011 0.000 0.884 649 S HN 0.862 nan 8.310 nan 0.000 0.506 650 T N -0.736 113.894 114.554 0.126 0.000 2.904 650 T HA 0.014 4.364 4.350 -0.000 0.000 0.267 650 T C 0.106 174.874 174.700 0.113 0.000 1.059 650 T CA 0.741 62.905 62.100 0.106 0.000 1.137 650 T CB -0.496 68.423 68.868 0.085 0.000 0.879 650 T HN 0.617 nan 8.240 nan 0.000 0.467 651 D N 2.012 122.511 120.400 0.165 0.000 2.340 651 D HA 0.394 5.034 4.640 -0.000 0.000 0.251 651 D C 0.657 177.048 176.300 0.152 0.000 1.080 651 D CA -0.125 53.956 54.000 0.135 0.000 0.971 651 D CB 1.575 42.445 40.800 0.117 0.000 1.137 651 D HN 0.364 nan 8.370 nan 0.000 0.475 652 T N -2.703 111.869 114.554 0.030 0.000 3.308 652 T HA 0.232 4.582 4.350 -0.000 0.000 0.270 652 T C 0.157 174.793 174.700 -0.106 0.000 0.992 652 T CA -0.567 61.546 62.100 0.020 0.000 0.931 652 T CB -0.993 67.888 68.868 0.022 0.000 1.142 652 T HN 0.176 nan 8.240 nan 0.000 0.525 653 N N 0.637 119.088 118.700 -0.415 0.000 2.295 653 N HA 0.212 4.952 4.740 -0.000 0.000 0.221 653 N C -0.742 174.414 175.510 -0.590 0.000 1.129 653 N CA -0.210 52.538 53.050 -0.504 0.000 0.836 653 N CB 0.085 38.240 38.487 -0.554 0.000 1.040 653 N HN 0.481 nan 8.380 nan 0.000 0.494 654 Y N -1.066 119.200 120.300 -0.056 0.000 2.715 654 Y HA 0.442 4.992 4.550 -0.000 0.000 0.255 654 Y C 1.375 177.034 175.900 -0.401 0.000 1.139 654 Y CA -0.806 57.059 58.100 -0.392 0.000 1.151 654 Y CB -0.030 38.201 38.460 -0.381 0.000 1.201 654 Y HN 0.049 nan 8.280 nan 0.000 0.556 655 A N 0.946 123.734 122.820 -0.054 0.000 2.070 655 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 655 A C 1.632 179.220 177.584 0.007 0.000 1.159 655 A CA 1.469 53.507 52.037 0.002 0.000 0.656 655 A CB -0.784 18.255 19.000 0.065 0.000 0.800 655 A HN 0.813 nan 8.150 nan 0.000 0.453 656 W N -0.875 120.418 121.300 -0.011 0.000 3.197 656 W HA 0.380 5.040 4.660 -0.000 0.000 0.274 656 W C -0.503 175.992 176.519 -0.041 0.000 1.297 656 W CA -0.164 57.152 57.345 -0.049 0.000 1.662 656 W CB -0.911 28.499 29.460 -0.085 0.000 1.106 656 W HN -0.037 nan 8.180 nan 0.000 0.663 657 V N 3.288 122.828 119.914 -0.625 0.000 2.488 657 V HA 0.035 4.155 4.120 -0.000 0.000 0.277 657 V C 1.689 177.635 176.094 -0.247 0.000 1.046 657 V CA 1.135 63.062 62.300 -0.621 0.000 0.986 657 V CB 1.343 32.681 31.823 -0.808 0.000 0.989 657 V HN 0.198 nan 8.190 nan 0.000 0.475 658 T N 0.128 114.601 114.554 -0.135 0.000 3.031 658 T HA 0.147 4.497 4.350 -0.000 0.000 0.254 658 T C 0.652 175.321 174.700 -0.052 0.000 1.060 658 T CA 0.561 62.623 62.100 -0.063 0.000 1.135 658 T CB 0.238 69.096 68.868 -0.016 0.000 0.896 658 T HN 0.823 nan 8.240 nan 0.000 0.472 659 S N -0.209 115.458 115.700 -0.056 0.000 2.565 659 S HA 0.788 5.258 4.470 -0.000 0.000 0.269 659 S C -1.432 173.150 174.600 -0.029 0.000 1.153 659 S CA -0.587 57.604 58.200 -0.015 0.000 0.835 659 S CB 1.592 64.813 63.200 0.036 0.000 1.122 659 S HN 0.995 nan 8.310 nan 0.000 0.462 660 A N 1.210 124.045 122.820 0.025 0.000 2.515 660 A HA 0.912 5.232 4.320 -0.000 0.000 0.298 660 A C -1.401 176.295 177.584 0.186 0.000 1.059 660 A CA -0.883 51.147 52.037 -0.013 0.000 0.698 660 A CB 1.134 20.012 19.000 -0.203 0.000 1.289 660 A HN 1.929 nan 8.150 nan 0.000 0.404 661 Y N -0.187 120.130 120.300 0.028 0.000 2.581 661 Y HA 0.789 5.338 4.550 -0.000 0.000 0.345 661 Y C 0.128 176.052 175.900 0.039 0.000 1.036 661 Y CA -0.887 57.246 58.100 0.056 0.000 1.042 661 Y CB 1.169 39.632 38.460 0.005 0.000 1.289 661 Y HN 0.683 nan 8.280 nan 0.000 0.471 662 S N 1.678 117.497 115.700 0.198 0.000 2.533 662 S HA 0.245 4.715 4.470 -0.000 0.000 0.282 662 S C 0.081 174.716 174.600 0.058 0.000 1.304 662 S CA -0.364 57.887 58.200 0.084 0.000 1.063 662 S CB -0.174 63.073 63.200 0.078 0.000 0.881 662 S HN 0.743 nan 8.310 nan 0.000 0.493 663 L N 3.809 125.012 121.223 -0.033 0.000 2.857 663 L HA 0.313 4.653 4.340 -0.000 0.000 0.249 663 L C 0.238 177.098 176.870 -0.017 0.000 1.172 663 L CA -0.183 54.642 54.840 -0.026 0.000 0.980 663 L CB 0.472 42.484 42.059 -0.078 0.000 1.299 663 L HN 0.433 nan 8.230 nan 0.000 0.535 664 S N 0.574 116.266 115.700 -0.013 0.000 2.536 664 S HA 0.604 5.074 4.470 -0.000 0.000 0.298 664 S C -0.056 174.531 174.600 -0.020 0.000 1.083 664 S CA -0.660 57.530 58.200 -0.017 0.000 0.995 664 S CB 2.361 65.551 63.200 -0.016 0.000 1.058 664 S HN 0.206 nan 8.310 nan 0.000 0.488 665 I N 0.507 121.061 120.570 -0.026 0.000 3.079 665 I HA 0.522 4.691 4.170 -0.000 0.000 0.295 665 I C 0.068 176.152 176.117 -0.054 0.000 1.094 665 I CA -0.577 60.700 61.300 -0.039 0.000 1.295 665 I CB 0.436 38.413 38.000 -0.037 0.000 1.443 665 I HN 0.455 nan 8.210 nan 0.000 0.607 666 N N 1.838 120.489 118.700 -0.082 0.000 2.501 666 N HA 0.126 4.865 4.740 -0.000 0.000 0.245 666 N C 0.327 175.761 175.510 -0.127 0.000 0.974 666 N CA -0.657 52.314 53.050 -0.132 0.000 0.941 666 N CB 0.972 39.344 38.487 -0.192 0.000 1.122 666 N HN 0.809 nan 8.380 nan 0.000 0.507 667 E N 1.514 121.653 120.200 -0.103 0.000 2.511 667 E HA -0.010 4.340 4.350 -0.000 0.000 0.196 667 E C -0.455 176.089 176.600 -0.093 0.000 1.066 667 E CA 0.163 56.519 56.400 -0.073 0.000 0.871 667 E CB -0.032 29.649 29.700 -0.030 0.000 0.863 667 E HN 0.423 nan 8.360 nan 0.000 0.520 668 N N 0.881 119.466 118.700 -0.191 0.000 2.489 668 N HA 0.197 4.937 4.740 -0.000 0.000 0.284 668 N C 0.416 175.812 175.510 -0.189 0.000 1.158 668 N CA -0.324 52.599 53.050 -0.211 0.000 0.965 668 N CB 2.019 40.225 38.487 -0.468 0.000 1.195 668 N HN 0.076 nan 8.380 nan 0.000 0.506 669 L N 0.229 121.405 121.223 -0.078 0.000 2.425 669 L HA 0.014 4.353 4.340 -0.000 0.000 0.215 669 L C 1.215 178.094 176.870 0.014 0.000 1.065 669 L CA 0.619 55.438 54.840 -0.034 0.000 0.842 669 L CB 0.095 42.156 42.059 0.003 0.000 1.033 669 L HN 0.554 nan 8.230 nan 0.000 0.474 670 D N -0.256 120.194 120.400 0.084 0.000 2.349 670 D HA -0.004 4.636 4.640 -0.000 0.000 0.214 670 D C 0.245 176.718 176.300 0.287 0.000 1.063 670 D CA 0.024 54.125 54.000 0.169 0.000 0.847 670 D CB 0.227 41.131 40.800 0.174 0.000 0.933 670 D HN 0.211 nan 8.370 nan 0.000 0.513 671 F N -0.402 119.598 119.950 0.083 0.000 2.741 671 F HA 0.635 5.162 4.527 -0.000 0.000 0.313 671 F C -1.620 174.244 175.800 0.106 0.000 1.153 671 F CA -1.339 56.728 58.000 0.112 0.000 0.931 671 F CB 1.120 40.202 39.000 0.138 0.000 1.335 671 F HN -0.145 nan 8.300 nan 0.000 0.460 672 S N 1.182 116.967 115.700 0.142 0.000 2.547 672 S HA 0.807 5.277 4.470 -0.000 0.000 0.281 672 S C -3.262 171.339 174.600 0.002 0.000 1.118 672 S CA -1.520 56.632 58.200 -0.080 0.000 0.947 672 S CB 2.453 65.621 63.200 -0.055 0.000 1.053 672 S HN 0.718 nan 8.310 nan 0.000 0.482 673 P HA 0.425 nan 4.420 nan 0.000 0.274 673 P C -2.847 174.130 177.300 -0.539 0.000 1.256 673 P CA -1.588 61.050 63.100 -0.770 0.000 0.795 673 P CB -1.038 30.369 31.700 -0.488 0.000 1.038 674 P HA 0.065 nan 4.420 nan 0.000 0.269 674 P C 0.510 177.540 177.300 -0.451 0.000 1.209 674 P CA 0.200 62.950 63.100 -0.584 0.000 0.776 674 P CB 0.114 31.222 31.700 -0.987 0.000 0.876 675 A N 2.334 124.974 122.820 -0.299 0.000 1.970 675 A HA 0.070 4.390 4.320 -0.000 0.000 0.216 675 A C 0.951 178.465 177.584 -0.118 0.000 1.170 675 A CA 1.750 53.695 52.037 -0.153 0.000 0.645 675 A CB -0.842 18.093 19.000 -0.108 0.000 0.816 675 A HN 0.627 nan 8.150 nan 0.000 0.447 676 T N -4.383 110.005 114.554 -0.277 0.000 2.906 676 T HA 0.691 5.041 4.350 -0.000 0.000 0.295 676 T C -1.045 173.392 174.700 -0.439 0.000 1.075 676 T CA -0.698 61.300 62.100 -0.169 0.000 1.005 676 T CB 1.435 70.258 68.868 -0.074 0.000 1.136 676 T HN 0.145 nan 8.240 nan 0.000 0.498 677 Y N -0.684 119.565 120.300 -0.085 0.000 2.553 677 Y HA 0.746 5.295 4.550 -0.000 0.000 0.347 677 Y C 0.721 176.553 175.900 -0.112 0.000 1.019 677 Y CA -0.905 57.122 58.100 -0.122 0.000 1.032 677 Y CB 2.503 40.861 38.460 -0.170 0.000 1.284 677 Y HN 0.991 nan 8.280 nan 0.000 0.466 678 T N 0.598 115.179 114.554 0.045 0.000 2.678 678 T HA 0.463 4.813 4.350 -0.000 0.000 0.260 678 T C -0.711 173.975 174.700 -0.023 0.000 0.932 678 T CA -0.636 61.459 62.100 -0.008 0.000 1.043 678 T CB 0.694 69.551 68.868 -0.019 0.000 1.413 678 T HN 0.821 nan 8.240 nan 0.000 0.568 679 N N 0.230 118.907 118.700 -0.037 0.000 2.906 679 N HA 0.536 5.276 4.740 -0.000 0.000 0.327 679 N C -1.299 174.220 175.510 0.016 0.000 1.344 679 N CA -0.749 52.285 53.050 -0.026 0.000 0.823 679 N CB 1.000 39.447 38.487 -0.066 0.000 1.351 679 N HN 0.572 nan 8.380 nan 0.000 0.604 680 K N -1.853 118.569 120.400 0.038 0.000 2.480 680 K HA 0.655 4.975 4.320 -0.000 0.000 0.258 680 K C 0.414 177.037 176.600 0.040 0.000 0.990 680 K CA -0.778 55.542 56.287 0.055 0.000 0.857 680 K CB 2.269 34.827 32.500 0.096 0.000 1.384 680 K HN 0.556 nan 8.250 nan 0.000 0.446 681 A N 1.177 124.018 122.820 0.035 0.000 1.986 681 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 681 A C 1.367 178.968 177.584 0.028 0.000 1.171 681 A CA 2.250 54.303 52.037 0.026 0.000 0.640 681 A CB -0.729 18.285 19.000 0.023 0.000 0.811 681 A HN 0.809 nan 8.150 nan 0.000 0.451 682 N N -1.227 117.493 118.700 0.033 0.000 2.461 682 N HA 0.229 4.969 4.740 -0.000 0.000 0.188 682 N C 0.999 176.533 175.510 0.039 0.000 1.134 682 N CA 1.233 54.301 53.050 0.030 0.000 0.878 682 N CB -0.336 38.165 38.487 0.024 0.000 0.972 682 N HN 0.847 nan 8.380 nan 0.000 0.456 683 G N -0.606 108.222 108.800 0.047 0.000 2.175 683 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.244 683 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.244 683 G C -0.280 174.694 174.900 0.125 0.000 0.982 683 G CA 0.022 45.154 45.100 0.055 0.000 0.641 683 G HN 0.494 nan 8.290 nan 0.000 0.527 684 Q N -0.112 119.766 119.800 0.130 0.000 2.373 684 Q HA 0.573 4.913 4.340 -0.000 0.000 0.255 684 Q C 0.749 176.819 176.000 0.118 0.000 0.980 684 Q CA -0.101 55.809 55.803 0.180 0.000 0.882 684 Q CB 0.935 29.779 28.738 0.178 0.000 1.249 684 Q HN 0.459 nan 8.270 nan 0.000 0.438 685 L N 1.524 122.758 121.223 0.019 0.000 2.418 685 L HA 0.523 4.863 4.340 -0.000 0.000 0.265 685 L C -0.272 176.617 176.870 0.031 0.000 1.143 685 L CA -0.547 54.235 54.840 -0.097 0.000 0.809 685 L CB 1.075 42.889 42.059 -0.407 0.000 1.124 685 L HN 0.334 nan 8.230 nan 0.000 0.456 686 V N 1.374 121.319 119.914 0.052 0.000 2.808 686 V HA 0.942 5.062 4.120 -0.000 0.000 0.308 686 V C -0.468 175.618 176.094 -0.013 0.000 1.099 686 V CA 0.047 62.312 62.300 -0.058 0.000 0.920 686 V CB 1.966 33.717 31.823 -0.120 0.000 1.014 686 V HN 0.836 nan 8.190 nan 0.000 0.425 687 G N 3.705 112.416 108.800 -0.147 0.000 2.692 687 G HA2 0.606 4.566 3.960 -0.000 0.000 0.291 687 G HA3 0.606 4.566 3.960 -0.000 0.000 0.291 687 G C -1.823 172.915 174.900 -0.271 0.000 1.423 687 G CA -0.524 44.379 45.100 -0.328 0.000 0.843 687 G HN 0.909 nan 8.290 nan 0.000 0.486 688 V N 1.007 120.779 119.914 -0.236 0.000 2.350 688 V HA 0.712 4.832 4.120 -0.000 0.000 0.276 688 V C 0.965 177.004 176.094 -0.092 0.000 1.028 688 V CA 0.382 62.618 62.300 -0.106 0.000 0.860 688 V CB 0.715 32.497 31.823 -0.068 0.000 0.990 688 V HN 1.064 nan 8.190 nan 0.000 0.453 689 G N 2.943 111.772 108.800 0.049 0.000 2.828 689 G HA2 0.574 4.534 3.960 -0.000 0.000 0.244 689 G HA3 0.574 4.534 3.960 -0.000 0.000 0.244 689 G C -1.852 173.207 174.900 0.266 0.000 1.365 689 G CA -0.499 44.642 45.100 0.068 0.000 1.041 689 G HN 0.486 nan 8.290 nan 0.000 0.560 690 Y N 0.274 120.676 120.300 0.170 0.000 2.354 690 Y HA 0.461 5.010 4.550 -0.000 0.000 0.330 690 Y C -0.835 175.205 175.900 0.233 0.000 1.011 690 Y CA -1.207 56.984 58.100 0.151 0.000 1.099 690 Y CB 1.850 40.352 38.460 0.069 0.000 1.179 690 Y HN 0.335 nan 8.280 nan 0.000 0.442 691 N N 5.197 123.652 118.700 -0.409 0.000 2.500 691 N HA 0.166 4.906 4.740 -0.000 0.000 0.236 691 N C 0.555 175.799 175.510 -0.443 0.000 1.022 691 N CA 0.012 52.921 53.050 -0.236 0.000 0.935 691 N CB 0.978 39.358 38.487 -0.177 0.000 1.147 691 N HN 0.834 nan 8.380 nan 0.000 0.512 692 E N 1.334 121.467 120.200 -0.111 0.000 2.077 692 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 692 E C 0.230 176.826 176.600 -0.007 0.000 0.989 692 E CA 0.849 57.265 56.400 0.027 0.000 0.800 692 E CB 0.367 30.173 29.700 0.177 0.000 0.746 692 E HN 0.461 nan 8.360 nan 0.000 0.452 693 I N 0.451 121.025 120.570 0.007 0.000 2.562 693 I HA 0.235 4.405 4.170 -0.000 0.000 0.301 693 I C 0.911 177.005 176.117 -0.038 0.000 1.003 693 I CA -0.599 60.698 61.300 -0.004 0.000 1.127 693 I CB 1.101 39.117 38.000 0.027 0.000 1.304 693 I HN -0.100 nan 8.210 nan 0.000 0.446 694 G N 2.333 111.103 108.800 -0.049 0.000 2.664 694 G HA2 0.507 4.467 3.960 -0.000 0.000 0.242 694 G HA3 0.507 4.467 3.960 -0.000 0.000 0.242 694 G C -0.000 174.858 174.900 -0.070 0.000 1.225 694 G CA 0.212 45.273 45.100 -0.066 0.000 0.849 694 G HN 1.153 nan 8.290 nan 0.000 0.581 695 G N -1.881 106.862 108.800 -0.095 0.000 2.306 695 G HA2 0.356 4.315 3.960 -0.000 0.000 0.340 695 G HA3 0.356 4.315 3.960 -0.000 0.000 0.340 695 G C -0.869 173.929 174.900 -0.170 0.000 1.630 695 G CA -0.485 44.549 45.100 -0.111 0.000 0.937 695 G HN 1.074 nan 8.290 nan 0.000 0.693 696 V N 3.314 123.139 119.914 -0.148 0.000 2.585 696 V HA 0.362 4.482 4.120 -0.000 0.000 0.296 696 V C 0.495 176.434 176.094 -0.258 0.000 1.035 696 V CA -0.139 62.053 62.300 -0.180 0.000 1.084 696 V CB 0.744 32.505 31.823 -0.103 0.000 0.953 696 V HN 0.688 nan 8.190 nan 0.000 0.483 697 R N 3.071 123.337 120.500 -0.391 0.000 2.732 697 R HA 0.719 5.059 4.340 -0.000 0.000 0.278 697 R C -0.434 175.742 176.300 -0.207 0.000 0.976 697 R CA -0.605 55.226 56.100 -0.448 0.000 0.963 697 R CB 1.776 31.566 30.300 -0.850 0.000 1.150 697 R HN 0.647 nan 8.270 nan 0.000 0.478 698 S N 0.854 116.524 115.700 -0.049 0.000 2.619 698 S HA 0.628 5.098 4.470 -0.000 0.000 0.280 698 S C -0.981 173.714 174.600 0.157 0.000 1.150 698 S CA -0.594 57.645 58.200 0.065 0.000 0.978 698 S CB 0.740 63.960 63.200 0.033 0.000 1.041 698 S HN 0.418 nan 8.310 nan 0.000 0.485 699 V N 2.006 122.044 119.914 0.206 0.000 3.049 699 V HA 0.939 5.058 4.120 -0.000 0.000 0.309 699 V C -0.575 175.596 176.094 0.129 0.000 1.148 699 V CA -0.885 61.533 62.300 0.198 0.000 0.990 699 V CB 1.753 33.738 31.823 0.271 0.000 1.039 699 V HN 0.950 nan 8.190 nan 0.000 0.430 700 S N 2.142 117.897 115.700 0.092 0.000 2.530 700 S HA 0.857 5.327 4.470 -0.000 0.000 0.322 700 S C -0.384 174.236 174.600 0.033 0.000 1.085 700 S CA -0.311 57.921 58.200 0.054 0.000 1.096 700 S CB 0.837 64.067 63.200 0.050 0.000 0.988 700 S HN 2.079 nan 8.310 nan 0.000 0.466 701 V N 0.468 120.384 119.914 0.002 0.000 2.914 701 V HA 0.813 4.933 4.120 -0.000 0.000 0.314 701 V C -0.470 175.595 176.094 -0.049 0.000 1.084 701 V CA -1.339 60.950 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