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 1iir_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRVLLATCGS RGDTEPLVAL AVRVRDLGAD VRMCAPPDCA ERLAEVGVPH DATA SEQUENCE VPVGPXXXXX XXRAKPLTAE DVRRFTTEAI ATQFDEIPAA AEGCAAVVTT DATA SEQUENCE GLLAAAIGVR SVAEKLGIPY FYAFHCPSYV PSPYYPPPPX XXXXXXXXID DATA SEQUENCE IPAQWERNNQ SAYQRYGGLL NSHRDAIGLP PVEDIFTFGY TDHPWVAADP DATA SEQUENCE VLAPLQPTDL DAVQTGAWIL PDERPLSPEL AAFLDAGPPP VYLGFXXXGA DATA SEQUENCE PADAVRVAID AIRAHGRRVI LSRGWADLVL PDDGADCFAI GEVNHQVLFG DATA SEQUENCE RVAAVIHHGG AGTTHVAARA GAPQILLPQM ADQPYYAGRV AELGVGVAHD DATA SEQUENCE GPIPTFDSLS AALATALTPE THARATAVAG TIRTDGAAVA ARLLLDAVSR DATA SEQUENCE E 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.306 55.300 0.010 0.000 0.988 1 M CB 0.000 32.606 32.600 0.010 0.000 1.302 2 R N 3.394 123.902 120.500 0.014 0.000 2.562 2 R HA 0.850 5.190 4.340 0.000 0.000 0.298 2 R C -1.717 174.596 176.300 0.022 0.000 0.961 2 R CA -0.516 55.591 56.100 0.012 0.000 0.881 2 R CB 1.890 32.197 30.300 0.013 0.000 1.159 2 R HN 0.546 nan 8.270 nan 0.000 0.450 3 V N 5.453 125.375 119.914 0.013 0.000 2.483 3 V HA 0.358 4.478 4.120 0.000 0.000 0.295 3 V C -0.500 175.610 176.094 0.027 0.000 1.035 3 V CA -0.905 61.410 62.300 0.025 0.000 0.896 3 V CB 1.527 33.349 31.823 -0.001 0.000 0.986 3 V HN 0.620 nan 8.190 nan 0.000 0.447 4 L N 6.167 127.419 121.223 0.048 0.000 2.295 4 L HA 0.662 5.002 4.340 0.000 0.000 0.285 4 L C -0.887 176.014 176.870 0.051 0.000 1.035 4 L CA 0.085 54.953 54.840 0.046 0.000 0.806 4 L CB 1.232 43.322 42.059 0.052 0.000 1.214 4 L HN 0.514 nan 8.230 nan 0.000 0.426 5 L N 5.722 126.970 121.223 0.042 0.000 2.305 5 L HA 0.815 5.155 4.340 0.000 0.000 0.284 5 L C -0.157 176.745 176.870 0.053 0.000 1.013 5 L CA -0.186 54.682 54.840 0.046 0.000 0.819 5 L CB 1.637 43.714 42.059 0.030 0.000 1.227 5 L HN 0.759 nan 8.230 nan 0.000 0.417 6 A N 1.896 124.751 122.820 0.057 0.000 2.303 6 A HA 0.834 5.154 4.320 0.000 0.000 0.320 6 A C -0.345 177.270 177.584 0.052 0.000 1.192 6 A CA -0.459 51.611 52.037 0.055 0.000 0.821 6 A CB 1.465 20.498 19.000 0.057 0.000 1.188 6 A HN 0.557 nan 8.150 nan 0.000 0.492 7 T N 0.003 114.587 114.554 0.049 0.000 2.933 7 T HA 0.436 4.787 4.350 0.000 0.000 0.305 7 T C 0.933 175.656 174.700 0.038 0.000 1.092 7 T CA 0.250 62.376 62.100 0.043 0.000 1.008 7 T CB 0.860 69.751 68.868 0.038 0.000 1.102 7 T HN 1.266 nan 8.240 nan 0.000 0.469 8 C N 1.297 120.617 119.300 0.033 0.000 2.432 8 C HA 0.584 5.044 4.460 0.000 0.000 0.282 8 C C 2.086 177.087 174.990 0.018 0.000 1.388 8 C CA 1.281 60.315 59.018 0.026 0.000 1.777 8 C CB -1.510 26.246 27.740 0.027 0.000 1.882 8 C HN 1.416 nan 8.230 nan 0.000 0.520 9 G N -0.690 108.118 108.800 0.013 0.000 2.797 9 G HA2 0.081 4.042 3.960 0.000 0.000 0.195 9 G HA3 0.081 4.042 3.960 0.000 0.000 0.195 9 G C 0.578 175.471 174.900 -0.012 0.000 1.026 9 G CA 0.624 45.725 45.100 0.002 0.000 0.759 9 G HN 1.707 nan 8.290 nan 0.000 0.475 10 S N 0.883 116.576 115.700 -0.013 0.000 2.558 10 S HA 0.455 4.926 4.470 0.000 0.000 0.291 10 S C 1.667 176.244 174.600 -0.038 0.000 1.306 10 S CA 1.360 59.546 58.200 -0.023 0.000 1.056 10 S CB 1.400 64.587 63.200 -0.023 0.000 0.836 10 S HN 1.702 nan 8.310 nan 0.000 0.504 11 R N 2.890 123.364 120.500 -0.043 0.000 2.120 11 R HA 0.043 4.383 4.340 0.000 0.000 0.234 11 R C 2.511 178.759 176.300 -0.086 0.000 1.123 11 R CA 1.977 58.044 56.100 -0.055 0.000 0.975 11 R CB -2.024 28.247 30.300 -0.048 0.000 0.866 11 R HN 1.033 nan 8.270 nan 0.000 0.446 12 G N 0.496 109.232 108.800 -0.106 0.000 2.443 12 G HA2 -0.200 3.760 3.960 0.000 0.000 0.219 12 G HA3 -0.200 3.760 3.960 0.000 0.000 0.219 12 G C 0.977 175.712 174.900 -0.275 0.000 1.131 12 G CA 0.954 45.938 45.100 -0.193 0.000 0.775 12 G HN 0.551 nan 8.290 nan 0.000 0.547 13 D N -0.533 119.784 120.400 -0.138 0.000 2.323 13 D HA 0.045 4.685 4.640 0.000 0.000 0.218 13 D C 2.676 178.977 176.300 0.002 0.000 0.973 13 D CA 0.787 54.760 54.000 -0.046 0.000 0.890 13 D CB -0.316 40.497 40.800 0.022 0.000 1.011 13 D HN 0.119 nan 8.370 nan 0.000 0.499 14 T N 1.506 116.047 114.554 -0.020 0.000 2.674 14 T HA -0.110 4.240 4.350 0.000 0.000 0.265 14 T C 1.645 176.342 174.700 -0.005 0.000 1.039 14 T CA 1.000 63.093 62.100 -0.011 0.000 1.150 14 T CB -0.024 68.824 68.868 -0.034 0.000 0.864 14 T HN 0.045 nan 8.240 nan 0.000 0.427 15 E N 0.772 120.956 120.200 -0.026 0.000 2.085 15 E HA -0.081 4.269 4.350 0.000 0.000 0.194 15 E C -0.359 176.261 176.600 0.033 0.000 0.994 15 E CA 1.351 57.741 56.400 -0.017 0.000 0.801 15 E CB -1.602 28.071 29.700 -0.045 0.000 0.743 15 E HN 0.407 nan 8.360 nan 0.000 0.453 16 P HA -0.089 nan 4.420 nan 0.000 0.217 16 P C 1.617 179.126 177.300 0.349 0.000 1.150 16 P CA 0.930 64.167 63.100 0.228 0.000 0.832 16 P CB -0.038 31.785 31.700 0.205 0.000 0.787 17 L N -1.523 119.845 121.223 0.241 0.000 2.156 17 L HA -0.097 4.243 4.340 0.000 0.000 0.208 17 L C 2.241 179.139 176.870 0.046 0.000 1.095 17 L CA 0.916 55.863 54.840 0.179 0.000 0.770 17 L CB -0.701 41.437 42.059 0.132 0.000 0.914 17 L HN -0.134 nan 8.230 nan 0.000 0.439 18 V N -0.052 119.878 119.914 0.027 0.000 2.427 18 V HA -0.259 3.862 4.120 0.000 0.000 0.248 18 V C 2.718 178.788 176.094 -0.040 0.000 1.051 18 V CA 1.702 63.991 62.300 -0.019 0.000 1.048 18 V CB -0.708 31.099 31.823 -0.027 0.000 0.666 18 V HN 0.472 nan 8.190 nan 0.000 0.456 19 A N -0.077 122.733 122.820 -0.017 0.000 1.877 19 A HA -0.209 4.111 4.320 0.000 0.000 0.216 19 A C 2.165 179.650 177.584 -0.166 0.000 1.186 19 A CA 2.132 54.137 52.037 -0.053 0.000 0.620 19 A CB -0.593 18.419 19.000 0.019 0.000 0.822 19 A HN 0.453 nan 8.150 nan 0.000 0.443 20 L N -0.235 120.838 121.223 -0.251 0.000 2.046 20 L HA -0.055 4.285 4.340 0.000 0.000 0.208 20 L C 2.673 179.363 176.870 -0.300 0.000 1.077 20 L CA 2.151 56.698 54.840 -0.488 0.000 0.747 20 L CB -0.825 40.784 42.059 -0.749 0.000 0.896 20 L HN 0.355 nan 8.230 nan 0.000 0.432 21 A N -0.986 121.727 122.820 -0.179 0.000 1.865 21 A HA -0.198 4.122 4.320 0.000 0.000 0.217 21 A C 2.285 179.798 177.584 -0.118 0.000 1.191 21 A CA 2.308 54.271 52.037 -0.123 0.000 0.623 21 A CB -1.256 17.701 19.000 -0.071 0.000 0.826 21 A HN 0.307 nan 8.150 nan 0.000 0.444 22 V N 0.139 119.986 119.914 -0.111 0.000 2.343 22 V HA -0.233 3.888 4.120 0.000 0.000 0.247 22 V C 2.719 178.743 176.094 -0.117 0.000 1.051 22 V CA 2.098 64.340 62.300 -0.097 0.000 1.036 22 V CB -0.803 30.971 31.823 -0.082 0.000 0.654 22 V HN 0.448 nan 8.190 nan 0.000 0.451 23 R N -0.373 120.030 120.500 -0.161 0.000 2.115 23 R HA 0.000 4.341 4.340 0.000 0.000 0.226 23 R C 2.135 178.330 176.300 -0.176 0.000 1.100 23 R CA 0.818 56.812 56.100 -0.177 0.000 0.980 23 R CB -1.018 29.138 30.300 -0.240 0.000 0.875 23 R HN 0.443 nan 8.270 nan 0.000 0.445 24 V N 0.851 120.652 119.914 -0.188 0.000 2.453 24 V HA -0.139 3.981 4.120 0.000 0.000 0.247 24 V C 2.576 178.604 176.094 -0.110 0.000 1.048 24 V CA 1.538 63.741 62.300 -0.161 0.000 1.049 24 V CB -0.458 31.267 31.823 -0.162 0.000 0.672 24 V HN 0.245 nan 8.190 nan 0.000 0.457 25 R N -0.045 120.398 120.500 -0.096 0.000 2.115 25 R HA -0.154 4.187 4.340 0.000 0.000 0.230 25 R C 1.882 178.142 176.300 -0.066 0.000 1.111 25 R CA 1.531 57.589 56.100 -0.069 0.000 0.976 25 R CB -0.228 30.036 30.300 -0.059 0.000 0.870 25 R HN 0.462 nan 8.270 nan 0.000 0.445 26 D N 0.558 120.911 120.400 -0.078 0.000 2.263 26 D HA -0.129 4.511 4.640 0.000 0.000 0.208 26 D C 1.416 177.676 176.300 -0.066 0.000 0.971 26 D CA 0.935 54.894 54.000 -0.069 0.000 0.867 26 D CB 0.097 40.850 40.800 -0.079 0.000 0.929 26 D HN 0.319 nan 8.370 nan 0.000 0.492 27 L N -0.990 120.189 121.223 -0.075 0.000 2.591 27 L HA 0.208 4.549 4.340 0.000 0.000 0.228 27 L C 1.512 178.351 176.870 -0.052 0.000 1.133 27 L CA 0.347 55.147 54.840 -0.067 0.000 0.880 27 L CB 0.139 42.149 42.059 -0.082 0.000 1.033 27 L HN 0.115 nan 8.230 nan 0.000 0.450 28 G N -0.219 108.552 108.800 -0.047 0.000 2.179 28 G HA2 -0.219 3.741 3.960 0.000 0.000 0.220 28 G HA3 -0.219 3.741 3.960 0.000 0.000 0.220 28 G C 0.327 175.208 174.900 -0.032 0.000 0.990 28 G CA -0.056 45.023 45.100 -0.036 0.000 0.646 28 G HN 0.457 nan 8.290 nan 0.000 0.517 29 A N -0.154 122.642 122.820 -0.040 0.000 2.264 29 A HA 0.674 4.994 4.320 0.000 0.000 0.304 29 A C -0.079 177.487 177.584 -0.031 0.000 1.100 29 A CA -0.132 51.885 52.037 -0.033 0.000 0.839 29 A CB 0.626 19.602 19.000 -0.040 0.000 1.121 29 A HN 0.166 nan 8.150 nan 0.000 0.496 30 D N -0.292 120.096 120.400 -0.020 0.000 2.253 30 D HA 0.497 5.137 4.640 0.000 0.000 0.249 30 D C -0.148 176.142 176.300 -0.017 0.000 1.049 30 D CA 0.190 54.181 54.000 -0.016 0.000 0.929 30 D CB 1.695 42.491 40.800 -0.007 0.000 1.176 30 D HN 0.568 nan 8.370 nan 0.000 0.437 31 V N -1.185 118.720 119.914 -0.015 0.000 3.007 31 V HA 0.786 4.906 4.120 0.000 0.000 0.311 31 V C -0.705 175.390 176.094 0.001 0.000 1.120 31 V CA -1.014 61.278 62.300 -0.013 0.000 0.980 31 V CB 2.552 34.357 31.823 -0.031 0.000 1.033 31 V HN 0.567 nan 8.190 nan 0.000 0.429 32 R N 2.921 123.428 120.500 0.011 0.000 2.535 32 R HA 0.729 5.069 4.340 0.000 0.000 0.274 32 R C -1.840 174.483 176.300 0.039 0.000 1.090 32 R CA -0.658 55.458 56.100 0.027 0.000 0.930 32 R CB 2.304 32.620 30.300 0.026 0.000 1.223 32 R HN 1.035 nan 8.270 nan 0.000 0.441 33 M N 4.804 124.442 119.600 0.063 0.000 2.326 33 M HA 0.386 4.866 4.480 0.000 0.000 0.306 33 M C -1.417 174.969 176.300 0.143 0.000 1.054 33 M CA -0.625 54.721 55.300 0.077 0.000 0.922 33 M CB 1.690 34.319 32.600 0.048 0.000 1.632 33 M HN 0.778 nan 8.290 nan 0.000 0.436 34 C N 5.304 124.670 119.300 0.111 0.000 2.285 34 C HA 0.967 5.427 4.460 0.000 0.000 0.335 34 C C -0.231 174.841 174.990 0.138 0.000 1.267 34 C CA 0.179 59.269 59.018 0.120 0.000 1.762 34 C CB -0.793 26.983 27.740 0.060 0.000 2.365 34 C HN 0.937 nan 8.230 nan 0.000 0.527 35 A N 6.817 129.774 122.820 0.229 0.000 2.599 35 A HA 0.859 5.179 4.320 0.000 0.000 0.290 35 A C -3.110 174.630 177.584 0.260 0.000 1.101 35 A CA -1.104 51.036 52.037 0.171 0.000 0.674 35 A CB 0.707 19.740 19.000 0.055 0.000 1.277 35 A HN 0.528 nan 8.150 nan 0.000 0.419 36 P HA 0.155 nan 4.420 nan 0.000 0.267 36 P C -1.973 175.441 177.300 0.190 0.000 1.201 36 P CA -0.514 62.655 63.100 0.115 0.000 0.775 36 P CB 0.221 31.950 31.700 0.049 0.000 0.854 37 P HA -0.208 nan 4.420 nan 0.000 0.217 37 P C 0.816 178.205 177.300 0.149 0.000 1.148 37 P CA 1.496 64.708 63.100 0.188 0.000 0.828 37 P CB -0.332 31.416 31.700 0.079 0.000 0.783 38 D N -1.665 118.776 120.400 0.068 0.000 2.378 38 D HA -0.087 4.553 4.640 0.000 0.000 0.222 38 D C 0.837 177.123 176.300 -0.023 0.000 0.980 38 D CA 0.546 54.558 54.000 0.020 0.000 0.907 38 D CB -1.015 39.788 40.800 0.005 0.000 0.899 38 D HN 0.205 nan 8.370 nan 0.000 0.527 39 C N 0.506 119.764 119.300 -0.071 0.000 2.697 39 C HA 0.441 4.901 4.460 0.000 0.000 0.267 39 C C 2.766 177.574 174.990 -0.303 0.000 1.278 39 C CA -0.049 58.851 59.018 -0.196 0.000 1.708 39 C CB -0.721 26.861 27.740 -0.263 0.000 1.860 39 C HN 0.435 nan 8.230 nan 0.000 0.589 40 A N 1.836 124.548 122.820 -0.179 0.000 1.892 40 A HA -0.176 4.144 4.320 0.000 0.000 0.218 40 A C 2.209 179.766 177.584 -0.046 0.000 1.188 40 A CA 2.740 54.753 52.037 -0.040 0.000 0.631 40 A CB -0.903 18.186 19.000 0.148 0.000 0.822 40 A HN 0.600 nan 8.150 nan 0.000 0.447 41 E N -0.093 120.085 120.200 -0.037 0.000 2.038 41 E HA -0.271 4.079 4.350 0.000 0.000 0.195 41 E C 2.129 178.701 176.600 -0.046 0.000 1.000 41 E CA 2.082 58.465 56.400 -0.030 0.000 0.803 41 E CB -0.652 29.034 29.700 -0.023 0.000 0.750 41 E HN 0.596 nan 8.360 nan 0.000 0.448 42 R N 0.402 120.862 120.500 -0.066 0.000 2.091 42 R HA 0.029 4.369 4.340 0.000 0.000 0.238 42 R C 2.344 178.601 176.300 -0.073 0.000 1.136 42 R CA 1.771 57.831 56.100 -0.066 0.000 0.959 42 R CB -0.903 29.353 30.300 -0.074 0.000 0.856 42 R HN 0.485 nan 8.270 nan 0.000 0.437 43 L N -0.207 120.951 121.223 -0.108 0.000 2.201 43 L HA -0.025 4.315 4.340 0.000 0.000 0.212 43 L C 2.381 179.225 176.870 -0.043 0.000 1.105 43 L CA 1.107 55.892 54.840 -0.092 0.000 0.775 43 L CB -0.530 41.434 42.059 -0.157 0.000 0.913 43 L HN 0.338 nan 8.230 nan 0.000 0.440 44 A N -0.115 122.686 122.820 -0.032 0.000 1.929 44 A HA -0.182 4.139 4.320 0.000 0.000 0.216 44 A C 2.123 179.697 177.584 -0.017 0.000 1.176 44 A CA 1.217 53.247 52.037 -0.011 0.000 0.628 44 A CB -0.288 18.710 19.000 -0.002 0.000 0.816 44 A HN 0.406 nan 8.150 nan 0.000 0.444 45 E N -0.223 119.962 120.200 -0.025 0.000 2.085 45 E HA -0.166 4.184 4.350 0.000 0.000 0.194 45 E C 1.726 178.310 176.600 -0.026 0.000 0.994 45 E CA 1.882 58.267 56.400 -0.025 0.000 0.801 45 E CB -0.274 29.409 29.700 -0.030 0.000 0.743 45 E HN 0.638 nan 8.360 nan 0.000 0.453 46 V N -2.799 117.097 119.914 -0.030 0.000 3.647 46 V HA 0.373 4.493 4.120 0.000 0.000 0.279 46 V C 1.129 177.207 176.094 -0.026 0.000 1.314 46 V CA 0.283 62.565 62.300 -0.031 0.000 1.125 46 V CB -0.276 31.524 31.823 -0.038 0.000 0.907 46 V HN 0.284 nan 8.190 nan 0.000 0.434 47 G N 0.600 109.389 108.800 -0.019 0.000 2.273 47 G HA2 -0.198 3.762 3.960 0.000 0.000 0.280 47 G HA3 -0.198 3.762 3.960 0.000 0.000 0.280 47 G C -0.042 174.853 174.900 -0.009 0.000 1.047 47 G CA 0.380 45.473 45.100 -0.011 0.000 0.869 47 G HN 0.830 nan 8.290 nan 0.000 0.502 48 V N 1.020 120.929 119.914 -0.009 0.000 2.370 48 V HA 0.372 4.492 4.120 0.000 0.000 0.279 48 V C -1.424 174.685 176.094 0.026 0.000 1.029 48 V CA -1.709 60.590 62.300 -0.002 0.000 0.870 48 V CB 1.684 33.498 31.823 -0.016 0.000 0.984 48 V HN 0.158 nan 8.190 nan 0.000 0.451 49 P HA -0.006 nan 4.420 nan 0.000 0.261 49 P C -0.529 176.839 177.300 0.112 0.000 1.173 49 P CA 0.563 63.697 63.100 0.056 0.000 0.760 49 P CB 0.034 31.753 31.700 0.032 0.000 0.783 50 H N 2.458 121.526 119.070 -0.003 0.000 2.505 50 H HA 0.414 4.970 4.556 0.000 0.000 0.338 50 H C -1.185 174.143 175.328 0.001 0.000 1.057 50 H CA -1.030 55.017 56.048 -0.002 0.000 1.202 50 H CB 1.078 30.839 29.762 -0.003 0.000 1.466 50 H HN 0.057 nan 8.280 nan 0.000 0.499 51 V N 7.864 127.721 119.914 -0.095 0.000 2.293 51 V HA 0.195 4.315 4.120 0.000 0.000 0.275 51 V C -2.260 173.627 176.094 -0.345 0.000 1.021 51 V CA -1.752 60.424 62.300 -0.206 0.000 0.815 51 V CB 0.763 32.556 31.823 -0.050 0.000 1.025 51 V HN 0.769 nan 8.190 nan 0.000 0.448 52 P HA 0.189 nan 4.420 nan 0.000 0.265 52 P C -0.630 176.611 177.300 -0.099 0.000 1.222 52 P CA 0.495 63.384 63.100 -0.352 0.000 0.767 52 P CB 0.711 32.232 31.700 -0.298 0.000 0.801 53 V N 3.283 123.196 119.914 -0.001 0.000 2.971 53 V HA 0.774 4.894 4.120 0.000 0.000 0.309 53 V C 0.373 176.486 176.094 0.032 0.000 1.130 53 V CA 0.009 62.316 62.300 0.012 0.000 0.964 53 V CB 1.789 33.620 31.823 0.014 0.000 1.029 53 V HN 0.884 nan 8.190 nan 0.000 0.427 54 G N 4.589 113.404 108.800 0.025 0.000 2.916 54 G HA2 -0.092 3.868 3.960 0.000 0.000 0.533 54 G HA3 -0.092 3.868 3.960 0.000 0.000 0.533 54 G C -2.541 172.375 174.900 0.025 0.000 1.516 54 G CA -0.543 44.573 45.100 0.027 0.000 0.944 54 G HN 0.695 nan 8.290 nan 0.000 0.555 64 A N 0.935 123.777 122.820 0.036 0.000 2.348 64 A HA 0.453 4.773 4.320 0.000 0.000 0.224 64 A C 0.573 178.175 177.584 0.031 0.000 1.227 64 A CA 0.682 52.736 52.037 0.029 0.000 0.885 64 A CB 0.076 19.091 19.000 0.024 0.000 0.933 64 A HN 0.406 nan 8.150 nan 0.000 0.506 65 K N 0.180 120.603 120.400 0.039 0.000 2.482 65 K HA 0.520 4.841 4.320 0.000 0.000 0.257 65 K C -2.936 173.691 176.600 0.045 0.000 0.969 65 K CA -1.913 54.396 56.287 0.036 0.000 0.842 65 K CB 1.204 33.723 32.500 0.033 0.000 1.359 65 K HN -0.071 nan 8.250 nan 0.000 0.441 66 P HA 0.116 nan 4.420 nan 0.000 0.271 66 P C -0.821 176.509 177.300 0.050 0.000 1.233 66 P CA -0.281 62.844 63.100 0.042 0.000 0.789 66 P CB 0.462 32.181 31.700 0.030 0.000 0.951 67 L N 0.716 121.975 121.223 0.061 0.000 2.357 67 L HA 0.508 4.848 4.340 0.000 0.000 0.273 67 L C 0.912 177.799 176.870 0.027 0.000 1.080 67 L CA -0.302 54.578 54.840 0.066 0.000 0.803 67 L CB 1.242 43.370 42.059 0.116 0.000 1.174 67 L HN 0.539 nan 8.230 nan 0.000 0.443 68 T N -1.729 112.821 114.554 -0.008 0.000 2.888 68 T HA 0.529 4.879 4.350 0.000 0.000 0.288 68 T C 0.805 175.477 174.700 -0.046 0.000 1.063 68 T CA -0.162 61.926 62.100 -0.021 0.000 1.010 68 T CB 1.705 70.556 68.868 -0.028 0.000 1.214 68 T HN 0.523 nan 8.240 nan 0.000 0.533 69 A N 0.071 122.869 122.820 -0.037 0.000 1.978 69 A HA -0.060 4.261 4.320 0.000 0.000 0.220 69 A C 2.156 179.691 177.584 -0.082 0.000 1.170 69 A CA 2.194 54.205 52.037 -0.044 0.000 0.636 69 A CB -1.188 17.794 19.000 -0.030 0.000 0.810 69 A HN 0.968 nan 8.150 nan 0.000 0.448 70 E N 0.702 120.849 120.200 -0.088 0.000 2.077 70 E HA -0.185 4.165 4.350 0.000 0.000 0.193 70 E C 1.387 177.865 176.600 -0.204 0.000 0.989 70 E CA 1.721 58.054 56.400 -0.111 0.000 0.800 70 E CB -0.235 29.415 29.700 -0.084 0.000 0.746 70 E HN 0.572 nan 8.360 nan 0.000 0.452 71 D N -0.470 119.771 120.400 -0.266 0.000 2.097 71 D HA -0.128 4.512 4.640 0.000 0.000 0.195 71 D C 2.061 177.815 176.300 -0.910 0.000 0.989 71 D CA 1.383 55.041 54.000 -0.569 0.000 0.827 71 D CB -0.311 40.246 40.800 -0.405 0.000 0.966 71 D HN 0.132 nan 8.370 nan 0.000 0.456 72 V N 1.341 120.996 119.914 -0.431 0.000 2.332 72 V HA -0.237 3.883 4.120 0.000 0.000 0.248 72 V C 2.499 178.518 176.094 -0.125 0.000 1.055 72 V CA 1.570 63.758 62.300 -0.188 0.000 1.038 72 V CB -0.407 31.416 31.823 0.000 0.000 0.651 72 V HN 0.146 nan 8.190 nan 0.000 0.450 73 R N -0.517 119.907 120.500 -0.126 0.000 2.120 73 R HA -0.141 4.199 4.340 0.000 0.000 0.234 73 R C 2.522 178.791 176.300 -0.052 0.000 1.123 73 R CA 1.419 57.487 56.100 -0.052 0.000 0.975 73 R CB -0.326 29.941 30.300 -0.054 0.000 0.866 73 R HN 0.432 nan 8.270 nan 0.000 0.446 74 R N 0.073 120.469 120.500 -0.174 0.000 2.075 74 R HA -0.098 4.242 4.340 0.000 0.000 0.232 74 R C 1.786 178.115 176.300 0.048 0.000 1.126 74 R CA 1.300 57.335 56.100 -0.109 0.000 0.963 74 R CB -0.069 30.114 30.300 -0.196 0.000 0.858 74 R HN 0.072 nan 8.270 nan 0.000 0.435 75 F N 0.231 120.218 119.950 0.061 0.000 2.171 75 F HA -0.113 4.414 4.527 0.000 0.000 0.300 75 F C 2.401 178.250 175.800 0.081 0.000 1.090 75 F CA 1.211 59.250 58.000 0.066 0.000 1.293 75 F CB -1.134 37.905 39.000 0.066 0.000 1.013 75 F HN 0.002 nan 8.300 nan 0.000 0.486 76 T N -0.955 113.758 114.554 0.265 0.000 2.701 76 T HA -0.140 4.210 4.350 0.000 0.000 0.263 76 T C 2.075 176.886 174.700 0.185 0.000 1.040 76 T CA 2.007 64.247 62.100 0.234 0.000 1.147 76 T CB -0.605 68.422 68.868 0.266 0.000 0.865 76 T HN 0.211 nan 8.240 nan 0.000 0.426 77 T N 2.123 116.768 114.554 0.152 0.000 2.720 77 T HA -0.107 4.243 4.350 0.000 0.000 0.268 77 T C 1.904 176.697 174.700 0.155 0.000 1.037 77 T CA 1.280 63.464 62.100 0.141 0.000 1.144 77 T CB -0.279 68.644 68.868 0.092 0.000 0.864 77 T HN 0.520 nan 8.240 nan 0.000 0.444 78 E N 0.603 120.893 120.200 0.149 0.000 2.274 78 E HA 0.093 4.444 4.350 0.000 0.000 0.194 78 E C 2.439 179.111 176.600 0.120 0.000 0.996 78 E CA 0.577 57.060 56.400 0.140 0.000 0.840 78 E CB -0.108 29.681 29.700 0.148 0.000 0.772 78 E HN 0.466 nan 8.360 nan 0.000 0.491 79 A N 1.053 123.946 122.820 0.122 0.000 1.898 79 A HA -0.131 4.190 4.320 0.000 0.000 0.216 79 A C 2.109 179.723 177.584 0.051 0.000 1.181 79 A CA 0.904 52.988 52.037 0.079 0.000 0.620 79 A CB -0.363 18.682 19.000 0.075 0.000 0.819 79 A HN 0.117 nan 8.150 nan 0.000 0.442 80 I N -0.408 120.206 120.570 0.072 0.000 2.233 80 I HA -0.192 3.979 4.170 0.000 0.000 0.243 80 I C 2.963 179.109 176.117 0.049 0.000 1.093 80 I CA 0.911 62.254 61.300 0.071 0.000 1.380 80 I CB -0.376 37.705 38.000 0.135 0.000 1.067 80 I HN 0.330 nan 8.210 nan 0.000 0.413 81 A N 0.520 123.382 122.820 0.070 0.000 1.940 81 A HA -0.220 4.100 4.320 0.000 0.000 0.219 81 A C 2.368 179.994 177.584 0.070 0.000 1.176 81 A CA 2.473 54.541 52.037 0.051 0.000 0.631 81 A CB -1.153 17.968 19.000 0.201 0.000 0.814 81 A HN 0.380 nan 8.150 nan 0.000 0.446 82 T N 0.087 114.677 114.554 0.061 0.000 2.759 82 T HA -0.173 4.177 4.350 0.000 0.000 0.269 82 T C 2.090 176.795 174.700 0.008 0.000 1.042 82 T CA 1.683 63.808 62.100 0.042 0.000 1.140 82 T CB -0.248 68.642 68.868 0.037 0.000 0.864 82 T HN 0.518 nan 8.240 nan 0.000 0.455 83 Q N 0.319 120.096 119.800 -0.038 0.000 2.046 83 Q HA 0.029 4.369 4.340 0.000 0.000 0.200 83 Q C 2.118 178.006 176.000 -0.186 0.000 0.975 83 Q CA 1.412 57.130 55.803 -0.141 0.000 0.836 83 Q CB -0.874 27.713 28.738 -0.251 0.000 0.896 83 Q HN 0.549 nan 8.270 nan 0.000 0.428 84 F N 1.708 121.573 119.950 -0.140 0.000 2.216 84 F HA -0.150 4.377 4.527 0.000 0.000 0.300 84 F C 1.810 177.585 175.800 -0.041 0.000 1.085 84 F CA 1.222 59.154 58.000 -0.114 0.000 1.326 84 F CB -0.089 38.772 39.000 -0.231 0.000 1.027 84 F HN 0.085 nan 8.300 nan 0.000 0.497 85 D N -0.447 120.036 120.400 0.137 0.000 2.194 85 D HA -0.070 4.570 4.640 0.000 0.000 0.204 85 D C 1.703 178.035 176.300 0.054 0.000 0.964 85 D CA 1.096 55.156 54.000 0.099 0.000 0.846 85 D CB -0.165 40.689 40.800 0.090 0.000 0.962 85 D HN 0.436 nan 8.370 nan 0.000 0.490 86 E N -0.451 119.765 120.200 0.027 0.000 2.453 86 E HA 0.103 4.454 4.350 0.000 0.000 0.211 86 E C 1.777 178.375 176.600 -0.003 0.000 0.897 86 E CA -0.228 56.179 56.400 0.011 0.000 1.063 86 E CB 0.856 30.561 29.700 0.008 0.000 1.080 86 E HN 0.069 nan 8.360 nan 0.000 0.512 87 I N 1.887 122.442 120.570 -0.024 0.000 2.315 87 I HA -0.093 4.077 4.170 0.000 0.000 0.248 87 I C -0.682 175.426 176.117 -0.015 0.000 1.117 87 I CA 0.848 62.129 61.300 -0.031 0.000 1.404 87 I CB -1.953 36.001 38.000 -0.077 0.000 1.071 87 I HN -0.023 nan 8.210 nan 0.000 0.419 88 P HA -0.165 nan 4.420 nan 0.000 0.215 88 P C 1.728 179.036 177.300 0.013 0.000 1.157 88 P CA 2.175 65.280 63.100 0.010 0.000 0.874 88 P CB 0.052 31.770 31.700 0.029 0.000 0.790 89 A N -0.407 122.420 122.820 0.012 0.000 1.930 89 A HA -0.029 4.291 4.320 0.000 0.000 0.217 89 A C 2.285 179.873 177.584 0.007 0.000 1.175 89 A CA 1.824 53.867 52.037 0.010 0.000 0.627 89 A CB -1.541 17.463 19.000 0.008 0.000 0.815 89 A HN 0.186 nan 8.150 nan 0.000 0.443 90 A N -0.381 122.442 122.820 0.005 0.000 2.015 90 A HA 0.276 4.596 4.320 0.000 0.000 0.219 90 A C 2.181 179.774 177.584 0.015 0.000 1.163 90 A CA 1.620 53.661 52.037 0.007 0.000 0.646 90 A CB -0.609 18.395 19.000 0.007 0.000 0.806 90 A HN 1.029 nan 8.150 nan 0.000 0.448 91 A N -0.795 122.034 122.820 0.015 0.000 2.251 91 A HA 0.467 4.787 4.320 0.000 0.000 0.209 91 A C 0.991 178.589 177.584 0.023 0.000 1.187 91 A CA 0.882 52.932 52.037 0.022 0.000 0.823 91 A CB -0.912 18.101 19.000 0.022 0.000 0.846 91 A HN 0.681 nan 8.150 nan 0.000 0.486 92 E N -0.216 119.995 120.200 0.018 0.000 2.417 92 E HA 0.385 4.735 4.350 0.000 0.000 0.261 92 E C 1.194 177.805 176.600 0.018 0.000 1.000 92 E CA 0.213 56.624 56.400 0.018 0.000 0.919 92 E CB -0.828 28.881 29.700 0.014 0.000 0.955 92 E HN 1.877 nan 8.360 nan 0.000 0.455 93 G N 0.890 109.702 108.800 0.020 0.000 2.148 93 G HA2 -0.248 3.712 3.960 0.000 0.000 0.254 93 G HA3 -0.248 3.712 3.960 0.000 0.000 0.254 93 G C 0.439 175.352 174.900 0.023 0.000 0.981 93 G CA 0.295 45.406 45.100 0.019 0.000 0.670 93 G HN 1.119 nan 8.290 nan 0.000 0.528 94 C N -0.109 119.208 119.300 0.029 0.000 2.391 94 C HA 0.802 5.262 4.460 0.000 0.000 0.339 94 C C 1.658 176.675 174.990 0.046 0.000 1.205 94 C CA 0.228 59.268 59.018 0.037 0.000 1.937 94 C CB 1.460 29.224 27.740 0.041 0.000 2.341 94 C HN 0.898 nan 8.230 nan 0.000 0.516 95 A N 1.159 124.012 122.820 0.055 0.000 2.267 95 A HA 0.697 5.017 4.320 0.000 0.000 0.213 95 A C 0.653 178.300 177.584 0.105 0.000 1.192 95 A CA 0.790 52.868 52.037 0.068 0.000 0.851 95 A CB 0.005 19.041 19.000 0.060 0.000 0.881 95 A HN 1.349 nan 8.150 nan 0.000 0.494 96 A N -1.787 121.104 122.820 0.119 0.000 2.586 96 A HA 0.593 4.913 4.320 0.000 0.000 0.291 96 A C -1.536 176.148 177.584 0.166 0.000 1.062 96 A CA 0.047 52.198 52.037 0.190 0.000 0.666 96 A CB 0.579 19.760 19.000 0.303 0.000 1.281 96 A HN 1.187 nan 8.150 nan 0.000 0.421 97 V N 0.725 120.762 119.914 0.206 0.000 2.733 97 V HA 0.726 4.846 4.120 0.000 0.000 0.306 97 V C -1.475 174.711 176.094 0.153 0.000 1.084 97 V CA -0.394 61.999 62.300 0.155 0.000 0.905 97 V CB 1.839 33.745 31.823 0.138 0.000 1.010 97 V HN 1.171 nan 8.190 nan 0.000 0.424 98 V N 5.313 125.291 119.914 0.107 0.000 2.604 98 V HA 0.826 4.946 4.120 0.000 0.000 0.305 98 V C -0.003 176.101 176.094 0.016 0.000 1.043 98 V CA -0.171 62.171 62.300 0.070 0.000 0.888 98 V CB 1.988 33.917 31.823 0.177 0.000 0.995 98 V HN 1.033 nan 8.190 nan 0.000 0.429 99 T N 2.137 116.641 114.554 -0.084 0.000 2.787 99 T HA 0.839 5.189 4.350 0.000 0.000 0.297 99 T C -0.625 173.920 174.700 -0.258 0.000 1.221 99 T CA 0.329 62.396 62.100 -0.055 0.000 1.006 99 T CB 2.142 71.044 68.868 0.057 0.000 1.328 99 T HN 1.105 nan 8.240 nan 0.000 0.509 100 T N -1.417 112.988 114.554 -0.249 0.000 2.754 100 T HA 0.792 5.142 4.350 0.000 0.000 0.296 100 T C 0.689 175.290 174.700 -0.166 0.000 1.205 100 T CA 0.335 62.094 62.100 -0.568 0.000 1.009 100 T CB 0.910 69.515 68.868 -0.439 0.000 1.368 100 T HN 1.927 nan 8.240 nan 0.000 0.509 101 G N 0.431 109.160 108.800 -0.118 0.000 2.525 101 G HA2 0.028 3.988 3.960 0.000 0.000 0.248 101 G HA3 0.028 3.988 3.960 0.000 0.000 0.248 101 G C -0.306 174.710 174.900 0.194 0.000 1.238 101 G CA -0.305 44.847 45.100 0.087 0.000 0.926 101 G HN 1.612 nan 8.290 nan 0.000 0.574 102 L N 0.387 121.689 121.223 0.132 0.000 2.747 102 L HA 0.109 4.449 4.340 0.000 0.000 0.286 102 L C 1.942 178.863 176.870 0.085 0.000 1.216 102 L CA 1.188 56.095 54.840 0.111 0.000 0.930 102 L CB 0.541 42.638 42.059 0.063 0.000 1.216 102 L HN 0.956 nan 8.230 nan 0.000 0.486 103 L N 5.715 126.978 121.223 0.066 0.000 2.046 103 L HA -0.130 4.210 4.340 0.000 0.000 0.208 103 L C 2.321 179.041 176.870 -0.249 0.000 1.077 103 L CA 2.222 57.030 54.840 -0.052 0.000 0.747 103 L CB -0.849 41.235 42.059 0.041 0.000 0.896 103 L HN 0.852 nan 8.230 nan 0.000 0.432 104 A N -0.674 121.862 122.820 -0.472 0.000 1.908 104 A HA -0.173 4.147 4.320 0.000 0.000 0.218 104 A C 2.420 179.867 177.584 -0.228 0.000 1.181 104 A CA 2.099 53.766 52.037 -0.618 0.000 0.627 104 A CB -1.081 17.579 19.000 -0.568 0.000 0.818 104 A HN 0.573 nan 8.150 nan 0.000 0.445 105 A N -0.499 122.253 122.820 -0.113 0.000 1.898 105 A HA 0.313 4.633 4.320 0.000 0.000 0.214 105 A C 2.507 180.070 177.584 -0.036 0.000 1.183 105 A CA 1.674 53.682 52.037 -0.049 0.000 0.622 105 A CB -1.021 17.977 19.000 -0.003 0.000 0.824 105 A HN 1.055 nan 8.150 nan 0.000 0.444 106 A N 1.041 123.867 122.820 0.010 0.000 1.908 106 A HA -0.169 4.151 4.320 0.000 0.000 0.218 106 A C 2.119 179.656 177.584 -0.079 0.000 1.181 106 A CA 1.701 53.783 52.037 0.074 0.000 0.627 106 A CB -0.951 18.148 19.000 0.165 0.000 0.818 106 A HN 0.961 nan 8.150 nan 0.000 0.445 107 I N -2.593 117.924 120.570 -0.090 0.000 2.493 107 I HA -0.024 4.146 4.170 0.000 0.000 0.254 107 I C 2.118 178.236 176.117 0.003 0.000 1.160 107 I CA 1.422 62.728 61.300 0.010 0.000 1.445 107 I CB -0.905 37.187 38.000 0.154 0.000 1.086 107 I HN 0.156 nan 8.210 nan 0.000 0.433 108 G N 1.468 110.191 108.800 -0.129 0.000 2.394 108 G HA2 -0.089 3.871 3.960 0.000 0.000 0.215 108 G HA3 -0.089 3.871 3.960 0.000 0.000 0.215 108 G C 1.644 176.226 174.900 -0.530 0.000 1.165 108 G CA 0.884 45.722 45.100 -0.437 0.000 0.784 108 G HN 0.301 nan 8.290 nan 0.000 0.535 109 V N 0.773 120.521 119.914 -0.278 0.000 2.295 109 V HA -0.174 3.947 4.120 0.000 0.000 0.246 109 V C 2.778 178.725 176.094 -0.246 0.000 1.049 109 V CA 2.194 64.388 62.300 -0.176 0.000 1.024 109 V CB -0.468 31.384 31.823 0.047 0.000 0.648 109 V HN 0.397 nan 8.190 nan 0.000 0.447 110 R N -0.055 120.124 120.500 -0.535 0.000 2.096 110 R HA -0.145 4.195 4.340 0.000 0.000 0.235 110 R C 2.466 178.555 176.300 -0.351 0.000 1.127 110 R CA 1.773 57.320 56.100 -0.922 0.000 0.968 110 R CB -0.272 28.876 30.300 -1.919 0.000 0.861 110 R HN 0.508 nan 8.270 nan 0.000 0.440 111 S N -0.044 115.584 115.700 -0.120 0.000 2.370 111 S HA -0.110 4.360 4.470 0.000 0.000 0.226 111 S C 1.865 176.436 174.600 -0.049 0.000 1.033 111 S CA 1.385 59.627 58.200 0.070 0.000 1.011 111 S CB -0.077 63.201 63.200 0.130 0.000 0.852 111 S HN 0.169 nan 8.310 nan 0.000 0.457 112 V N 1.802 121.585 119.914 -0.218 0.000 2.427 112 V HA -0.135 3.985 4.120 0.000 0.000 0.248 112 V C 2.600 178.663 176.094 -0.050 0.000 1.051 112 V CA 1.512 63.733 62.300 -0.131 0.000 1.048 112 V CB -1.160 30.548 31.823 -0.192 0.000 0.666 112 V HN 0.528 nan 8.190 nan 0.000 0.456 113 A N -0.150 122.633 122.820 -0.060 0.000 1.902 113 A HA -0.283 4.038 4.320 0.000 0.000 0.217 113 A C 2.290 179.872 177.584 -0.003 0.000 1.181 113 A CA 2.027 54.058 52.037 -0.011 0.000 0.623 113 A CB -0.516 18.495 19.000 0.018 0.000 0.818 113 A HN 0.631 nan 8.150 nan 0.000 0.443 114 E N -0.301 119.892 120.200 -0.011 0.000 2.077 114 E HA -0.282 4.068 4.350 0.000 0.000 0.193 114 E C 1.986 178.610 176.600 0.039 0.000 0.989 114 E CA 1.667 58.083 56.400 0.026 0.000 0.800 114 E CB -0.094 29.652 29.700 0.075 0.000 0.746 114 E HN 0.427 nan 8.360 nan 0.000 0.452 115 K N 0.588 121.015 120.400 0.045 0.000 2.147 115 K HA -0.067 4.253 4.320 0.000 0.000 0.205 115 K C 1.848 178.471 176.600 0.038 0.000 1.049 115 K CA 1.113 57.431 56.287 0.052 0.000 0.936 115 K CB -0.132 32.410 32.500 0.070 0.000 0.722 115 K HN 0.221 nan 8.250 nan 0.000 0.446 116 L N -0.859 120.382 121.223 0.031 0.000 2.558 116 L HA 0.210 4.550 4.340 0.000 0.000 0.225 116 L C 0.917 177.804 176.870 0.028 0.000 1.128 116 L CA 0.344 55.201 54.840 0.029 0.000 0.868 116 L CB -0.237 41.838 42.059 0.026 0.000 1.006 116 L HN 0.501 nan 8.230 nan 0.000 0.454 117 G N 2.059 110.875 108.800 0.027 0.000 2.221 117 G HA2 -0.281 3.679 3.960 0.000 0.000 0.265 117 G HA3 -0.281 3.679 3.960 0.000 0.000 0.265 117 G C 0.115 175.032 174.900 0.027 0.000 1.041 117 G CA 0.573 45.688 45.100 0.025 0.000 0.807 117 G HN 0.498 nan 8.290 nan 0.000 0.502 118 I N -2.597 117.990 120.570 0.029 0.000 2.646 118 I HA 0.759 4.929 4.170 0.000 0.000 0.299 118 I C -2.076 174.057 176.117 0.027 0.000 1.036 118 I CA -3.297 58.028 61.300 0.042 0.000 1.074 118 I CB 2.272 40.306 38.000 0.058 0.000 1.258 118 I HN -0.081 nan 8.210 nan 0.000 0.430 119 P HA 0.031 nan 4.420 nan 0.000 0.268 119 P C -1.628 175.573 177.300 -0.165 0.000 1.205 119 P CA 0.433 63.467 63.100 -0.111 0.000 0.771 119 P CB 0.534 32.184 31.700 -0.083 0.000 0.858 120 Y N 3.267 123.259 120.300 -0.512 0.000 2.393 120 Y HA 0.618 5.168 4.550 0.000 0.000 0.341 120 Y C -1.480 173.967 175.900 -0.755 0.000 0.988 120 Y CA -0.991 56.855 58.100 -0.424 0.000 1.078 120 Y CB 1.215 39.495 38.460 -0.299 0.000 1.203 120 Y HN 0.181 nan 8.280 nan 0.000 0.453 121 F N 5.806 125.286 119.950 -0.784 0.000 2.565 121 F HA 0.444 4.971 4.527 0.000 0.000 0.313 121 F C -1.309 173.952 175.800 -0.898 0.000 1.091 121 F CA -1.045 56.472 58.000 -0.805 0.000 0.915 121 F CB 1.607 40.171 39.000 -0.728 0.000 1.208 121 F HN 0.517 nan 8.300 nan 0.000 0.453 122 Y N 1.592 121.513 120.300 -0.632 0.000 2.462 122 Y HA 0.817 5.367 4.550 0.000 0.000 0.346 122 Y C -1.191 174.563 175.900 -0.242 0.000 0.976 122 Y CA -1.037 56.806 58.100 -0.429 0.000 1.044 122 Y CB 1.738 40.002 38.460 -0.328 0.000 1.230 122 Y HN 0.766 nan 8.280 nan 0.000 0.455 123 A N 5.356 127.661 122.820 -0.858 0.000 2.393 123 A HA 0.713 5.033 4.320 0.000 0.000 0.306 123 A C -1.960 175.018 177.584 -1.010 0.000 1.050 123 A CA -0.515 51.186 52.037 -0.559 0.000 0.724 123 A CB 0.560 19.357 19.000 -0.339 0.000 1.248 123 A HN 0.647 nan 8.150 nan 0.000 0.424 124 F N 0.691 120.335 119.950 -0.511 0.000 2.399 124 F HA 0.429 4.956 4.527 0.000 0.000 0.328 124 F C 1.420 176.869 175.800 -0.586 0.000 1.084 124 F CA -0.071 57.659 58.000 -0.451 0.000 1.053 124 F CB 1.377 40.264 39.000 -0.188 0.000 1.209 124 F HN 0.672 nan 8.300 nan 0.000 0.502 125 H N 0.294 119.339 119.070 -0.042 0.000 2.622 125 H HA 0.200 4.757 4.556 0.000 0.000 0.269 125 H C -0.438 174.933 175.328 0.072 0.000 0.977 125 H CA 0.257 56.246 56.048 -0.098 0.000 1.179 125 H CB 0.649 30.333 29.762 -0.130 0.000 1.458 125 H HN 0.398 nan 8.280 nan 0.000 0.531 126 C N 2.993 122.379 119.300 0.143 0.000 2.551 126 C HA 0.272 4.732 4.460 0.000 0.000 0.332 126 C C -1.449 173.447 174.990 -0.156 0.000 1.139 126 C CA -1.638 57.389 59.018 0.015 0.000 1.328 126 C CB 1.749 29.517 27.740 0.048 0.000 1.903 126 C HN 0.098 nan 8.230 nan 0.000 0.459 127 P HA -0.092 nan 4.420 nan 0.000 0.223 127 P C 1.272 178.354 177.300 -0.364 0.000 1.151 127 P CA 1.700 64.604 63.100 -0.327 0.000 0.787 127 P CB 0.054 31.606 31.700 -0.246 0.000 0.788 128 S N -1.760 113.653 115.700 -0.479 0.000 2.474 128 S HA -0.142 4.328 4.470 0.000 0.000 0.235 128 S C 1.688 176.271 174.600 -0.027 0.000 0.997 128 S CA 0.529 58.543 58.200 -0.309 0.000 0.949 128 S CB -1.370 61.614 63.200 -0.359 0.000 0.766 128 S HN 0.078 nan 8.310 nan 0.000 0.517 129 Y N 1.535 121.724 120.300 -0.186 0.000 2.511 129 Y HA 0.367 4.917 4.550 0.000 0.000 0.279 129 Y C 0.796 176.434 175.900 -0.437 0.000 1.157 129 Y CA -0.611 57.429 58.100 -0.099 0.000 1.300 129 Y CB -0.045 38.427 38.460 0.020 0.000 1.052 129 Y HN 0.087 nan 8.280 nan 0.000 0.529 130 V N 3.581 123.129 119.914 -0.610 0.000 2.470 130 V HA 0.080 4.200 4.120 0.000 0.000 0.276 130 V C -2.043 173.657 176.094 -0.657 0.000 1.040 130 V CA -2.007 59.794 62.300 -0.833 0.000 1.008 130 V CB 0.445 31.907 31.823 -0.601 0.000 0.990 130 V HN -0.010 nan 8.190 nan 0.000 0.477 131 P HA 0.140 nan 4.420 nan 0.000 0.265 131 P C -0.345 176.122 177.300 -1.388 0.000 1.187 131 P CA 0.531 62.581 63.100 -1.751 0.000 0.766 131 P CB 0.582 31.813 31.700 -0.781 0.000 0.820 132 S N 2.457 117.047 115.700 -1.850 0.000 2.543 132 S HA 0.471 4.941 4.470 0.000 0.000 0.274 132 S C -2.603 171.396 174.600 -1.001 0.000 1.149 132 S CA -1.176 56.289 58.200 -1.224 0.000 0.866 132 S CB 1.401 63.772 63.200 -1.383 0.000 1.111 132 S HN 0.227 nan 8.310 nan 0.000 0.457 133 P HA 0.218 nan 4.420 nan 0.000 0.261 133 P C 0.233 177.299 177.300 -0.391 0.000 1.268 133 P CA 0.222 62.989 63.100 -0.555 0.000 0.833 133 P CB -0.266 31.077 31.700 -0.596 0.000 1.231 134 Y N -0.228 119.956 120.300 -0.194 0.000 2.458 134 Y HA 0.154 4.704 4.550 0.000 0.000 0.254 134 Y C 0.649 176.611 175.900 0.102 0.000 1.120 134 Y CA -0.724 57.355 58.100 -0.035 0.000 1.282 134 Y CB 0.332 38.798 38.460 0.011 0.000 1.109 134 Y HN -0.080 nan 8.280 nan 0.000 0.526 135 Y N -1.814 118.627 120.300 0.235 0.000 2.519 135 Y HA 0.619 5.169 4.550 0.000 0.000 0.336 135 Y C -3.418 172.703 175.900 0.368 0.000 1.089 135 Y CA -4.124 54.116 58.100 0.233 0.000 1.025 135 Y CB 0.611 39.180 38.460 0.182 0.000 1.318 135 Y HN -0.310 nan 8.280 nan 0.000 0.452 136 P HA 0.175 nan 4.420 nan 0.000 0.272 136 P C -2.664 174.670 177.300 0.056 0.000 1.230 136 P CA -1.157 62.050 63.100 0.179 0.000 0.788 136 P CB 0.902 32.631 31.700 0.047 0.000 0.949 137 P HA 0.259 nan 4.420 nan 0.000 0.274 137 P C -2.492 174.523 177.300 -0.474 0.000 1.237 137 P CA -1.959 60.517 63.100 -1.041 0.000 0.793 137 P CB -1.179 29.421 31.700 -1.833 0.000 0.977 138 P HA 0.028 nan 4.420 nan 0.000 0.258 138 P C -1.557 175.611 177.300 -0.220 0.000 1.172 138 P CA -0.041 62.855 63.100 -0.339 0.000 0.762 138 P CB -0.896 30.437 31.700 -0.612 0.000 0.764 150 D N 1.357 121.784 120.400 0.044 0.000 2.077 150 D HA -0.126 4.514 4.640 0.000 0.000 0.193 150 D C 1.898 178.237 176.300 0.064 0.000 0.989 150 D CA 2.302 56.329 54.000 0.045 0.000 0.831 150 D CB -0.331 40.494 40.800 0.041 0.000 0.979 150 D HN 0.594 nan 8.370 nan 0.000 0.449 151 I N 1.503 122.125 120.570 0.087 0.000 2.118 151 I HA -0.147 4.023 4.170 0.000 0.000 0.241 151 I C -0.267 175.981 176.117 0.217 0.000 1.070 151 I CA 1.527 62.913 61.300 0.144 0.000 1.327 151 I CB -2.077 36.015 38.000 0.153 0.000 1.034 151 I HN 0.176 nan 8.210 nan 0.000 0.405 152 P HA -0.128 nan 4.420 nan 0.000 0.215 152 P C 1.731 179.124 177.300 0.155 0.000 1.157 152 P CA 2.146 65.323 63.100 0.128 0.000 0.868 152 P CB -0.047 31.673 31.700 0.033 0.000 0.788 153 A N -0.416 122.461 122.820 0.096 0.000 1.940 153 A HA -0.285 4.035 4.320 0.000 0.000 0.219 153 A C 2.235 179.862 177.584 0.072 0.000 1.176 153 A CA 1.682 53.760 52.037 0.068 0.000 0.631 153 A CB -1.325 17.698 19.000 0.038 0.000 0.814 153 A HN 0.217 nan 8.150 nan 0.000 0.446 154 Q N -1.656 118.183 119.800 0.065 0.000 2.050 154 Q HA -0.242 4.099 4.340 0.000 0.000 0.202 154 Q C 1.982 177.972 176.000 -0.018 0.000 0.980 154 Q CA 1.806 57.597 55.803 -0.020 0.000 0.840 154 Q CB -0.269 28.410 28.738 -0.099 0.000 0.898 154 Q HN 0.895 nan 8.270 nan 0.000 0.424 155 W N 0.936 122.272 121.300 0.060 0.000 2.388 155 W HA -0.158 4.502 4.660 0.000 0.000 0.294 155 W C 2.307 178.914 176.519 0.147 0.000 1.212 155 W CA 1.036 58.468 57.345 0.145 0.000 1.271 155 W CB -0.098 29.427 29.460 0.107 0.000 1.126 155 W HN 0.219 nan 8.180 nan 0.000 0.535 156 E N 0.966 121.327 120.200 0.269 0.000 2.110 156 E HA -0.216 4.134 4.350 0.000 0.000 0.193 156 E C 2.150 178.769 176.600 0.031 0.000 0.988 156 E CA 1.499 57.967 56.400 0.113 0.000 0.804 156 E CB -0.355 29.384 29.700 0.065 0.000 0.745 156 E HN 0.156 nan 8.360 nan 0.000 0.458 157 R N 0.086 120.610 120.500 0.039 0.000 2.080 157 R HA -0.154 4.186 4.340 0.000 0.000 0.236 157 R C 1.695 177.989 176.300 -0.011 0.000 1.137 157 R CA 1.832 57.932 56.100 0.000 0.000 0.943 157 R CB -0.358 29.940 30.300 -0.005 0.000 0.846 157 R HN 0.202 nan 8.270 nan 0.000 0.431 158 N N 0.926 119.648 118.700 0.036 0.000 2.166 158 N HA -0.172 4.568 4.740 0.000 0.000 0.186 158 N C 1.448 176.894 175.510 -0.107 0.000 1.019 158 N CA 1.264 54.364 53.050 0.083 0.000 0.856 158 N CB -0.675 37.966 38.487 0.255 0.000 0.993 158 N HN 0.305 nan 8.380 nan 0.000 0.426 159 N N 1.081 119.558 118.700 -0.372 0.000 2.188 159 N HA -0.156 4.585 4.740 0.000 0.000 0.184 159 N C 1.913 177.182 175.510 -0.400 0.000 1.018 159 N CA 1.797 54.262 53.050 -0.975 0.000 0.858 159 N CB -0.382 37.678 38.487 -0.713 0.000 0.989 159 N HN 0.428 nan 8.380 nan 0.000 0.426 160 Q N -0.168 119.517 119.800 -0.192 0.000 2.119 160 Q HA 0.037 4.377 4.340 0.000 0.000 0.201 160 Q C 2.373 178.343 176.000 -0.050 0.000 0.972 160 Q CA 1.759 57.508 55.803 -0.091 0.000 0.847 160 Q CB -1.098 27.598 28.738 -0.070 0.000 0.903 160 Q HN 0.497 nan 8.270 nan 0.000 0.433 161 S N 0.480 116.135 115.700 -0.076 0.000 2.383 161 S HA 0.056 4.527 4.470 0.000 0.000 0.227 161 S C 2.465 176.989 174.600 -0.128 0.000 1.026 161 S CA 0.995 59.153 58.200 -0.070 0.000 0.981 161 S CB -0.374 62.804 63.200 -0.037 0.000 0.818 161 S HN 0.894 nan 8.310 nan 0.000 0.472 162 A N 0.332 123.073 122.820 -0.132 0.000 1.930 162 A HA -0.092 4.229 4.320 0.000 0.000 0.217 162 A C 1.934 179.410 177.584 -0.179 0.000 1.175 162 A CA 1.335 53.276 52.037 -0.160 0.000 0.627 162 A CB -0.867 18.156 19.000 0.039 0.000 0.815 162 A HN 0.567 nan 8.150 nan 0.000 0.443 163 Y N 0.416 120.614 120.300 -0.169 0.000 2.181 163 Y HA -0.221 4.330 4.550 0.000 0.000 0.288 163 Y C 2.567 178.394 175.900 -0.121 0.000 1.146 163 Y CA 2.139 60.174 58.100 -0.107 0.000 1.164 163 Y CB -0.077 38.318 38.460 -0.108 0.000 0.982 163 Y HN 0.298 nan 8.280 nan 0.000 0.515 164 Q N 0.287 120.067 119.800 -0.033 0.000 2.170 164 Q HA -0.179 4.161 4.340 0.000 0.000 0.203 164 Q C 2.209 178.085 176.000 -0.207 0.000 0.976 164 Q CA 1.686 57.440 55.803 -0.083 0.000 0.858 164 Q CB -0.287 28.424 28.738 -0.044 0.000 0.907 164 Q HN 0.574 nan 8.270 nan 0.000 0.433 165 R N -1.094 119.193 120.500 -0.356 0.000 2.112 165 R HA -0.018 4.323 4.340 0.000 0.000 0.216 165 R C 1.373 177.449 176.300 -0.374 0.000 1.080 165 R CA 0.911 56.731 56.100 -0.466 0.000 0.996 165 R CB 0.205 30.021 30.300 -0.806 0.000 0.902 165 R HN 0.281 nan 8.270 nan 0.000 0.449 166 Y N -1.516 118.714 120.300 -0.117 0.000 2.535 166 Y HA 0.349 4.899 4.550 0.000 0.000 0.264 166 Y C 2.185 177.930 175.900 -0.259 0.000 1.087 166 Y CA -0.224 57.804 58.100 -0.121 0.000 1.285 166 Y CB -0.825 37.609 38.460 -0.043 0.000 1.200 166 Y HN 0.011 nan 8.280 nan 0.000 0.514 167 G N 0.989 109.514 108.800 -0.459 0.000 2.553 167 G HA2 -0.293 3.668 3.960 0.000 0.000 0.218 167 G HA3 -0.293 3.668 3.960 0.000 0.000 0.218 167 G C 2.051 176.646 174.900 -0.509 0.000 1.195 167 G CA 1.405 45.938 45.100 -0.945 0.000 0.779 167 G HN 0.501 nan 8.290 nan 0.000 0.577 168 G N 0.720 109.279 108.800 -0.401 0.000 2.476 168 G HA2 -0.192 3.768 3.960 0.000 0.000 0.218 168 G HA3 -0.192 3.768 3.960 0.000 0.000 0.218 168 G C 1.874 176.699 174.900 -0.125 0.000 1.164 168 G CA 0.996 45.982 45.100 -0.190 0.000 0.768 168 G HN 0.435 nan 8.290 nan 0.000 0.560 169 L N -0.392 120.783 121.223 -0.079 0.000 2.017 169 L HA -0.024 4.316 4.340 0.000 0.000 0.208 169 L C 2.704 179.597 176.870 0.038 0.000 1.073 169 L CA 0.710 55.543 54.840 -0.011 0.000 0.745 169 L CB -0.536 41.574 42.059 0.085 0.000 0.894 169 L HN 0.256 nan 8.230 nan 0.000 0.432 170 L N 0.306 121.558 121.223 0.048 0.000 1.989 170 L HA -0.225 4.115 4.340 0.000 0.000 0.211 170 L C 2.254 179.119 176.870 -0.008 0.000 1.071 170 L CA 1.916 56.807 54.840 0.084 0.000 0.749 170 L CB -0.819 41.271 42.059 0.053 0.000 0.890 170 L HN 0.260 nan 8.230 nan 0.000 0.431 171 N N -0.903 117.757 118.700 -0.068 0.000 2.309 171 N HA -0.148 4.592 4.740 0.000 0.000 0.182 171 N C 2.019 177.465 175.510 -0.108 0.000 1.018 171 N CA 1.236 54.240 53.050 -0.078 0.000 0.876 171 N CB -0.274 38.180 38.487 -0.055 0.000 0.972 171 N HN 0.492 nan 8.380 nan 0.000 0.434 172 S N 0.200 115.813 115.700 -0.146 0.000 2.368 172 S HA -0.115 4.355 4.470 0.000 0.000 0.224 172 S C 1.719 176.143 174.600 -0.293 0.000 1.029 172 S CA 0.833 58.908 58.200 -0.209 0.000 0.988 172 S CB -0.209 62.840 63.200 -0.252 0.000 0.838 172 S HN 0.353 nan 8.310 nan 0.000 0.462 173 H N 1.063 119.909 119.070 -0.374 0.000 2.353 173 H HA 0.066 4.622 4.556 0.000 0.000 0.300 173 H C 2.451 177.447 175.328 -0.553 0.000 1.090 173 H CA 1.484 57.113 56.048 -0.698 0.000 1.327 173 H CB -0.164 28.683 29.762 -1.526 0.000 1.383 173 H HN 0.415 nan 8.280 nan 0.000 0.508 174 R N 0.343 120.722 120.500 -0.201 0.000 2.120 174 R HA -0.104 4.236 4.340 0.000 0.000 0.234 174 R C 1.850 178.123 176.300 -0.044 0.000 1.123 174 R CA 1.207 57.286 56.100 -0.034 0.000 0.975 174 R CB 0.035 30.336 30.300 0.000 0.000 0.866 174 R HN 0.285 nan 8.270 nan 0.000 0.446 175 D N 0.751 121.102 120.400 -0.082 0.000 2.123 175 D HA -0.135 4.505 4.640 0.000 0.000 0.196 175 D C 1.796 178.062 176.300 -0.057 0.000 0.992 175 D CA 1.584 55.545 54.000 -0.065 0.000 0.833 175 D CB -0.272 40.480 40.800 -0.080 0.000 0.954 175 D HN 0.230 nan 8.370 nan 0.000 0.455 176 A N 0.826 123.595 122.820 -0.085 0.000 2.024 176 A HA -0.118 4.202 4.320 0.000 0.000 0.220 176 A C 2.026 179.603 177.584 -0.012 0.000 1.164 176 A CA 1.118 53.118 52.037 -0.061 0.000 0.643 176 A CB -0.708 18.237 19.000 -0.091 0.000 0.806 176 A HN 0.478 nan 8.150 nan 0.000 0.451 177 I N -5.381 115.196 120.570 0.012 0.000 3.877 177 I HA 0.547 4.717 4.170 0.000 0.000 0.332 177 I C 0.905 177.049 176.117 0.045 0.000 1.525 177 I CA 0.239 61.572 61.300 0.055 0.000 1.146 177 I CB -0.197 37.879 38.000 0.126 0.000 1.137 177 I HN 0.258 nan 8.210 nan 0.000 0.424 178 G N 2.213 111.025 108.800 0.020 0.000 2.221 178 G HA2 -0.237 3.723 3.960 0.000 0.000 0.265 178 G HA3 -0.237 3.723 3.960 0.000 0.000 0.265 178 G C -0.164 174.748 174.900 0.020 0.000 1.041 178 G CA 0.360 45.469 45.100 0.015 0.000 0.807 178 G HN 0.484 nan 8.290 nan 0.000 0.502 179 L N 0.854 122.092 121.223 0.024 0.000 2.331 179 L HA 0.533 4.873 4.340 0.000 0.000 0.275 179 L C -1.392 175.474 176.870 -0.006 0.000 1.022 179 L CA -2.436 52.417 54.840 0.022 0.000 0.812 179 L CB 1.702 43.792 42.059 0.051 0.000 1.257 179 L HN -0.041 nan 8.230 nan 0.000 0.435 180 P HA 0.152 nan 4.420 nan 0.000 0.272 180 P C -2.656 174.608 177.300 -0.060 0.000 1.230 180 P CA -1.208 61.874 63.100 -0.031 0.000 0.788 180 P CB -0.176 31.510 31.700 -0.024 0.000 0.949 181 P HA 0.067 nan 4.420 nan 0.000 0.271 181 P C -0.464 176.774 177.300 -0.103 0.000 1.218 181 P CA 0.056 63.116 63.100 -0.067 0.000 0.780 181 P CB 0.582 32.266 31.700 -0.026 0.000 0.901 182 V N 3.285 123.114 119.914 -0.140 0.000 2.472 182 V HA 0.151 4.271 4.120 0.000 0.000 0.290 182 V C 1.306 177.410 176.094 0.017 0.000 1.037 182 V CA 0.082 62.268 62.300 -0.190 0.000 0.908 182 V CB 1.095 32.628 31.823 -0.483 0.000 0.985 182 V HN 0.590 nan 8.190 nan 0.000 0.454 183 E N 1.532 121.719 120.200 -0.021 0.000 2.434 183 E HA 0.094 4.445 4.350 0.000 0.000 0.207 183 E C -0.219 176.330 176.600 -0.085 0.000 0.929 183 E CA 0.007 56.355 56.400 -0.086 0.000 1.001 183 E CB 0.707 30.318 29.700 -0.148 0.000 1.016 183 E HN 0.635 nan 8.360 nan 0.000 0.502 184 D N 0.985 121.385 120.400 0.000 0.000 2.464 184 D HA 0.117 4.757 4.640 0.000 0.000 0.243 184 D C 0.961 177.324 176.300 0.105 0.000 1.104 184 D CA -0.309 53.708 54.000 0.027 0.000 0.883 184 D CB 0.604 41.426 40.800 0.037 0.000 1.050 184 D HN -0.134 nan 8.370 nan 0.000 0.524 185 I N 2.952 123.583 120.570 0.102 0.000 2.179 185 I HA -0.217 3.953 4.170 0.000 0.000 0.242 185 I C 1.934 178.147 176.117 0.160 0.000 1.088 185 I CA 0.799 62.185 61.300 0.143 0.000 1.357 185 I CB -0.818 37.261 38.000 0.132 0.000 1.051 185 I HN 0.375 nan 8.210 nan 0.000 0.409 186 F N 1.798 121.735 119.950 -0.021 0.000 2.102 186 F HA -0.168 4.359 4.527 0.000 0.000 0.298 186 F C 2.835 178.580 175.800 -0.093 0.000 1.105 186 F CA 1.458 59.364 58.000 -0.157 0.000 1.239 186 F CB -1.871 37.211 39.000 0.137 0.000 0.991 186 F HN 0.101 nan 8.300 nan 0.000 0.474 187 T N 0.250 114.949 114.554 0.242 0.000 2.821 187 T HA -0.205 4.145 4.350 0.000 0.000 0.267 187 T C 1.822 176.595 174.700 0.122 0.000 1.046 187 T CA 1.182 63.385 62.100 0.172 0.000 1.139 187 T CB -0.701 68.255 68.868 0.146 0.000 0.871 187 T HN 0.144 nan 8.240 nan 0.000 0.454 188 F N 2.016 121.952 119.950 -0.023 0.000 2.084 188 F HA 0.109 4.636 4.527 0.000 0.000 0.296 188 F C 2.440 178.148 175.800 -0.154 0.000 1.111 188 F CA 1.323 59.275 58.000 -0.079 0.000 1.224 188 F CB -0.882 38.073 39.000 -0.074 0.000 0.991 188 F HN 0.158 nan 8.300 nan 0.000 0.471 189 G N -1.400 107.269 108.800 -0.219 0.000 2.402 189 G HA2 -0.263 3.698 3.960 0.000 0.000 0.216 189 G HA3 -0.263 3.698 3.960 0.000 0.000 0.216 189 G C 1.185 175.830 174.900 -0.425 0.000 1.162 189 G CA 0.961 45.810 45.100 -0.418 0.000 0.777 189 G HN 0.440 nan 8.290 nan 0.000 0.539 190 Y N 1.347 121.444 120.300 -0.338 0.000 2.503 190 Y HA 0.205 4.755 4.550 0.000 0.000 0.278 190 Y C 1.713 177.508 175.900 -0.176 0.000 1.111 190 Y CA 0.039 57.878 58.100 -0.436 0.000 1.270 190 Y CB -0.719 37.639 38.460 -0.170 0.000 1.063 190 Y HN 0.384 nan 8.280 nan 0.000 0.548 191 T N -1.469 113.088 114.554 0.005 0.000 0.541 191 T HA -0.209 4.142 4.350 0.000 0.000 0.774 191 T C -0.008 174.696 174.700 0.006 0.000 0.992 191 T CA 0.221 62.277 62.100 -0.073 0.000 4.077 191 T CB -0.878 67.753 68.868 -0.395 0.000 2.303 191 T HN 0.445 nan 8.240 nan 0.000 0.398 192 D N 0.248 120.690 120.400 0.069 0.000 2.342 192 D HA 0.157 4.797 4.640 0.000 0.000 0.221 192 D C 0.727 177.123 176.300 0.160 0.000 1.101 192 D CA 0.734 54.803 54.000 0.114 0.000 0.837 192 D CB -0.823 40.049 40.800 0.121 0.000 0.938 192 D HN 1.223 nan 8.370 nan 0.000 0.508 193 H N -2.398 116.693 119.070 0.035 0.000 2.825 193 H HA 0.414 4.970 4.556 0.000 0.000 0.226 193 H C -2.890 172.431 175.328 -0.010 0.000 1.414 193 H CA -1.717 54.345 56.048 0.023 0.000 1.198 193 H CB 0.301 30.066 29.762 0.005 0.000 2.013 193 H HN -0.111 nan 8.280 nan 0.000 0.530 194 P HA -0.045 nan 4.420 nan 0.000 0.272 194 P C -0.264 177.134 177.300 0.163 0.000 1.223 194 P CA -0.096 63.022 63.100 0.030 0.000 0.784 194 P CB 1.340 33.254 31.700 0.357 0.000 0.923 195 W N 0.912 122.313 121.300 0.169 0.000 2.375 195 W HA 0.337 4.997 4.660 0.000 0.000 0.336 195 W C -0.491 176.074 176.519 0.078 0.000 1.160 195 W CA -0.460 56.966 57.345 0.136 0.000 1.266 195 W CB 1.125 30.688 29.460 0.172 0.000 1.195 195 W HN -0.015 nan 8.180 nan 0.000 0.599 196 V N 2.867 122.945 119.914 0.274 0.000 2.304 196 V HA 0.312 4.432 4.120 0.000 0.000 0.278 196 V C 0.379 176.449 176.094 -0.040 0.000 1.018 196 V CA -0.988 61.368 62.300 0.095 0.000 0.814 196 V CB 0.613 32.479 31.823 0.072 0.000 1.021 196 V HN 0.595 nan 8.190 nan 0.000 0.440 197 A N 4.358 126.993 122.820 -0.308 0.000 3.063 197 A HA 0.782 5.103 4.320 0.000 0.000 0.263 197 A C 0.575 177.948 177.584 -0.352 0.000 1.736 197 A CA 0.434 52.094 52.037 -0.629 0.000 1.408 197 A CB -0.345 17.654 19.000 -1.667 0.000 1.108 197 A HN 1.160 nan 8.150 nan 0.000 0.621 198 A N 0.581 123.341 122.820 -0.100 0.000 2.587 198 A HA 0.618 4.938 4.320 0.000 0.000 0.293 198 A C -0.921 176.796 177.584 0.222 0.000 1.087 198 A CA -0.636 51.451 52.037 0.083 0.000 0.692 198 A CB 0.729 19.884 19.000 0.259 0.000 1.291 198 A HN 0.482 nan 8.150 nan 0.000 0.407 199 D N 1.252 121.949 120.400 0.495 0.000 2.389 199 D HA 0.374 5.014 4.640 0.000 0.000 0.247 199 D C -1.194 175.221 176.300 0.192 0.000 1.128 199 D CA -1.217 52.959 54.000 0.293 0.000 0.884 199 D CB 1.134 42.107 40.800 0.288 0.000 1.194 199 D HN 0.189 nan 8.370 nan 0.000 0.441 200 P HA -0.110 nan 4.420 nan 0.000 0.226 200 P C 1.033 178.377 177.300 0.073 0.000 1.153 200 P CA 0.470 63.626 63.100 0.092 0.000 0.777 200 P CB 0.396 32.139 31.700 0.072 0.000 0.794 201 V N -0.100 119.854 119.914 0.067 0.000 2.426 201 V HA -0.111 4.009 4.120 0.000 0.000 0.242 201 V C 2.576 178.689 176.094 0.033 0.000 1.036 201 V CA 0.957 63.281 62.300 0.040 0.000 1.044 201 V CB -1.065 30.775 31.823 0.028 0.000 0.688 201 V HN 0.008 nan 8.190 nan 0.000 0.462 202 L N 0.802 122.048 121.223 0.038 0.000 2.056 202 L HA 0.165 4.505 4.340 0.000 0.000 0.207 202 L C 1.290 178.202 176.870 0.071 0.000 1.078 202 L CA 2.207 57.056 54.840 0.014 0.000 0.749 202 L CB -0.366 41.639 42.059 -0.090 0.000 0.901 202 L HN 0.239 nan 8.230 nan 0.000 0.433 203 A N 0.475 123.391 122.820 0.159 0.000 3.159 203 A HA 0.513 4.833 4.320 0.000 0.000 0.330 203 A C -2.575 175.108 177.584 0.165 0.000 1.032 203 A CA -1.123 51.059 52.037 0.241 0.000 0.841 203 A CB -0.369 18.852 19.000 0.368 0.000 1.093 203 A HN 0.170 nan 8.150 nan 0.000 0.478 204 P HA 0.090 nan 4.420 nan 0.000 0.266 204 P C -0.017 177.306 177.300 0.039 0.000 1.215 204 P CA 0.044 63.185 63.100 0.068 0.000 0.763 204 P CB 0.881 32.608 31.700 0.045 0.000 0.806 205 L N 4.322 125.563 121.223 0.031 0.000 2.499 205 L HA 0.045 4.385 4.340 0.000 0.000 0.273 205 L C 0.470 177.354 176.870 0.023 0.000 1.195 205 L CA 0.864 55.708 54.840 0.007 0.000 0.882 205 L CB -0.201 41.879 42.059 0.034 0.000 1.133 205 L HN 0.336 nan 8.230 nan 0.000 0.483 206 Q N 5.258 125.062 119.800 0.008 0.000 2.199 206 Q HA 0.477 4.817 4.340 0.000 0.000 0.232 206 Q C -2.158 173.982 176.000 0.234 0.000 0.969 206 Q CA -2.017 53.832 55.803 0.078 0.000 0.925 206 Q CB 0.233 28.936 28.738 -0.057 0.000 1.198 206 Q HN 0.509 nan 8.270 nan 0.000 0.494 207 P HA 0.021 nan 4.420 nan 0.000 0.264 207 P C -0.579 176.977 177.300 0.426 0.000 1.183 207 P CA 0.588 63.864 63.100 0.294 0.000 0.763 207 P CB 0.518 32.315 31.700 0.162 0.000 0.807 208 T N 0.267 114.987 114.554 0.277 0.000 2.802 208 T HA 0.218 4.568 4.350 0.000 0.000 0.311 208 T C -0.157 174.545 174.700 0.004 0.000 1.405 208 T CA -0.616 61.490 62.100 0.009 0.000 1.016 208 T CB 0.866 69.678 68.868 -0.093 0.000 1.352 208 T HN 0.431 nan 8.240 nan 0.000 0.498 209 D N 1.820 122.122 120.400 -0.164 0.000 2.339 209 D HA 0.116 4.757 4.640 0.000 0.000 0.217 209 D C 0.675 176.945 176.300 -0.051 0.000 1.050 209 D CA -0.004 53.945 54.000 -0.086 0.000 0.856 209 D CB 0.050 40.754 40.800 -0.161 0.000 0.922 209 D HN 0.416 nan 8.370 nan 0.000 0.518 210 L N 0.849 122.033 121.223 -0.065 0.000 2.421 210 L HA 0.203 4.544 4.340 0.000 0.000 0.263 210 L C 0.395 177.287 176.870 0.038 0.000 1.122 210 L CA -0.612 54.218 54.840 -0.016 0.000 0.804 210 L CB 0.904 42.939 42.059 -0.040 0.000 1.150 210 L HN -0.255 nan 8.230 nan 0.000 0.457 211 D N 2.254 122.702 120.400 0.080 0.000 2.994 211 D HA 0.215 4.855 4.640 0.000 0.000 0.240 211 D C 0.316 176.703 176.300 0.146 0.000 1.195 211 D CA 0.049 54.117 54.000 0.112 0.000 0.957 211 D CB 0.418 41.294 40.800 0.127 0.000 1.105 211 D HN 0.503 nan 8.370 nan 0.000 0.477 212 A N 0.404 123.293 122.820 0.116 0.000 2.425 212 A HA 0.378 4.699 4.320 0.000 0.000 0.249 212 A C 0.226 177.919 177.584 0.181 0.000 1.084 212 A CA -0.253 51.868 52.037 0.141 0.000 0.781 212 A CB 0.832 19.879 19.000 0.078 0.000 1.019 212 A HN 0.162 nan 8.150 nan 0.000 0.490 213 V N 2.689 122.765 119.914 0.270 0.000 2.487 213 V HA 0.359 4.479 4.120 0.000 0.000 0.298 213 V C -0.057 176.195 176.094 0.263 0.000 1.028 213 V CA -0.475 62.000 62.300 0.292 0.000 0.860 213 V CB 1.484 33.574 31.823 0.445 0.000 0.991 213 V HN 0.996 nan 8.190 nan 0.000 0.427 214 Q N 2.273 122.172 119.800 0.164 0.000 2.340 214 Q HA 0.340 4.681 4.340 0.000 0.000 0.259 214 Q C 0.900 176.957 176.000 0.095 0.000 0.964 214 Q CA -0.007 55.869 55.803 0.122 0.000 0.900 214 Q CB 1.586 30.380 28.738 0.094 0.000 1.228 214 Q HN 0.967 nan 8.270 nan 0.000 0.449 215 T N 0.460 115.065 114.554 0.087 0.000 3.040 215 T HA 0.467 4.818 4.350 0.000 0.000 0.252 215 T C 0.806 175.560 174.700 0.090 0.000 1.064 215 T CA 0.360 62.500 62.100 0.065 0.000 1.110 215 T CB 0.261 69.178 68.868 0.082 0.000 0.921 215 T HN 0.897 nan 8.240 nan 0.000 0.480 216 G N 0.824 109.681 108.800 0.094 0.000 2.570 216 G HA2 0.412 4.372 3.960 0.000 0.000 0.686 216 G HA3 0.412 4.372 3.960 0.000 0.000 0.686 216 G C -0.268 174.676 174.900 0.074 0.000 1.257 216 G CA -0.570 44.591 45.100 0.102 0.000 0.846 216 G HN 0.920 nan 8.290 nan 0.000 0.627 217 A N 0.304 123.128 122.820 0.008 0.000 2.425 217 A HA 0.540 4.860 4.320 0.000 0.000 0.242 217 A C -0.085 177.577 177.584 0.130 0.000 1.077 217 A CA 0.335 52.280 52.037 -0.154 0.000 0.781 217 A CB 0.155 18.897 19.000 -0.430 0.000 1.020 217 A HN 1.198 nan 8.150 nan 0.000 0.494 218 W N 1.956 123.181 121.300 -0.124 0.000 2.295 218 W HA 0.587 5.247 4.660 0.000 0.000 0.333 218 W C -0.663 175.796 176.519 -0.100 0.000 0.990 218 W CA -0.738 56.543 57.345 -0.106 0.000 1.453 218 W CB -0.275 29.128 29.460 -0.094 0.000 1.263 218 W HN 0.291 nan 8.180 nan 0.000 0.380 219 I N 3.732 124.366 120.570 0.108 0.000 2.607 219 I HA 0.285 4.456 4.170 0.000 0.000 0.290 219 I C -0.349 175.773 176.117 0.007 0.000 1.129 219 I CA -0.995 60.324 61.300 0.033 0.000 1.042 219 I CB 2.066 40.069 38.000 0.005 0.000 1.242 219 I HN -0.087 nan 8.210 nan 0.000 0.421 220 L N 6.624 127.840 121.223 -0.011 0.000 2.357 220 L HA 0.499 4.839 4.340 0.000 0.000 0.273 220 L C -2.003 174.850 176.870 -0.027 0.000 1.080 220 L CA -1.714 53.110 54.840 -0.026 0.000 0.803 220 L CB 0.885 42.923 42.059 -0.034 0.000 1.174 220 L HN 0.318 nan 8.230 nan 0.000 0.443 221 P HA 0.018 nan 4.420 nan 0.000 0.271 221 P C -1.274 176.005 177.300 -0.035 0.000 1.216 221 P CA -0.197 62.885 63.100 -0.029 0.000 0.776 221 P CB 1.010 32.694 31.700 -0.027 0.000 0.881 222 D N 2.320 122.695 120.400 -0.041 0.000 2.280 222 D HA 0.089 4.729 4.640 0.000 0.000 0.236 222 D C 0.604 176.878 176.300 -0.044 0.000 1.082 222 D CA -0.252 53.720 54.000 -0.046 0.000 0.834 222 D CB 0.865 41.629 40.800 -0.059 0.000 1.100 222 D HN 0.147 nan 8.370 nan 0.000 0.486 223 E N 2.397 122.573 120.200 -0.039 0.000 2.452 223 E HA 0.069 4.420 4.350 0.000 0.000 0.197 223 E C 0.232 176.811 176.600 -0.036 0.000 1.022 223 E CA -0.032 56.347 56.400 -0.035 0.000 0.890 223 E CB 0.276 29.958 29.700 -0.029 0.000 0.918 223 E HN 0.423 nan 8.360 nan 0.000 0.496 224 R N 2.705 123.180 120.500 -0.040 0.000 2.537 224 R HA 0.033 4.373 4.340 0.000 0.000 0.281 224 R C -1.985 174.289 176.300 -0.043 0.000 0.988 224 R CA -0.549 55.527 56.100 -0.040 0.000 1.077 224 R CB -0.206 30.067 30.300 -0.045 0.000 0.932 224 R HN 0.030 nan 8.270 nan 0.000 0.409 225 P HA 0.102 nan 4.420 nan 0.000 0.278 225 P C -0.349 176.931 177.300 -0.034 0.000 1.258 225 P CA -0.380 62.701 63.100 -0.032 0.000 0.811 225 P CB 0.780 32.467 31.700 -0.022 0.000 1.063 226 L N 0.721 121.924 121.223 -0.033 0.000 2.436 226 L HA 0.162 4.502 4.340 0.000 0.000 0.265 226 L C 1.462 178.324 176.870 -0.013 0.000 1.168 226 L CA -0.416 54.406 54.840 -0.030 0.000 0.815 226 L CB 0.341 42.382 42.059 -0.030 0.000 1.109 226 L HN 0.507 nan 8.230 nan 0.000 0.462 227 S N 1.349 117.051 115.700 0.003 0.000 2.573 227 S HA 0.115 4.585 4.470 0.000 0.000 0.277 227 S C -1.869 172.740 174.600 0.015 0.000 1.346 227 S CA -0.993 57.219 58.200 0.021 0.000 1.034 227 S CB 0.851 64.086 63.200 0.058 0.000 0.879 227 S HN 0.426 nan 8.310 nan 0.000 0.528 228 P HA -0.072 nan 4.420 nan 0.000 0.218 228 P C 0.969 178.276 177.300 0.012 0.000 1.148 228 P CA 1.197 64.304 63.100 0.011 0.000 0.822 228 P CB 0.037 31.748 31.700 0.017 0.000 0.784 229 E N -0.888 119.339 120.200 0.044 0.000 2.072 229 E HA -0.118 4.232 4.350 0.000 0.000 0.190 229 E C 1.814 178.342 176.600 -0.120 0.000 0.982 229 E CA 0.639 57.076 56.400 0.061 0.000 0.803 229 E CB -1.216 28.617 29.700 0.222 0.000 0.755 229 E HN 0.110 nan 8.360 nan 0.000 0.453 230 L N 0.692 121.840 121.223 -0.125 0.000 2.056 230 L HA -0.032 4.308 4.340 0.000 0.000 0.207 230 L C 2.053 178.813 176.870 -0.184 0.000 1.078 230 L CA 2.052 56.692 54.840 -0.333 0.000 0.749 230 L CB -0.930 41.092 42.059 -0.062 0.000 0.901 230 L HN 0.107 nan 8.230 nan 0.000 0.433 231 A N -0.321 122.450 122.820 -0.083 0.000 1.908 231 A HA -0.133 4.187 4.320 0.000 0.000 0.218 231 A C 2.464 180.012 177.584 -0.060 0.000 1.181 231 A CA 2.001 54.006 52.037 -0.053 0.000 0.627 231 A CB -1.228 17.753 19.000 -0.032 0.000 0.818 231 A HN 0.599 nan 8.150 nan 0.000 0.445 232 A N -1.361 121.425 122.820 -0.058 0.000 1.902 232 A HA -0.036 4.284 4.320 0.000 0.000 0.217 232 A C 2.053 179.597 177.584 -0.067 0.000 1.181 232 A CA 1.590 53.599 52.037 -0.046 0.000 0.623 232 A CB -0.705 18.287 19.000 -0.013 0.000 0.818 232 A HN 0.665 nan 8.150 nan 0.000 0.443 233 F N 0.627 120.413 119.950 -0.273 0.000 2.134 233 F HA -0.137 4.390 4.527 0.000 0.000 0.299 233 F C 1.914 177.600 175.800 -0.190 0.000 1.097 233 F CA 1.688 59.511 58.000 -0.296 0.000 1.264 233 F CB -0.267 38.335 39.000 -0.663 0.000 1.001 233 F HN 0.141 nan 8.300 nan 0.000 0.479 234 L N -0.141 121.020 121.223 -0.102 0.000 2.042 234 L HA -0.240 4.100 4.340 0.000 0.000 0.210 234 L C 1.846 178.622 176.870 -0.157 0.000 1.076 234 L CA 1.545 56.318 54.840 -0.111 0.000 0.749 234 L CB -0.791 41.254 42.059 -0.024 0.000 0.893 234 L HN 0.071 nan 8.230 nan 0.000 0.432 235 D N 0.009 120.333 120.400 -0.128 0.000 2.363 235 D HA -0.028 4.612 4.640 0.000 0.000 0.220 235 D C 1.894 178.113 176.300 -0.135 0.000 0.994 235 D CA 0.934 54.869 54.000 -0.108 0.000 0.890 235 D CB 0.218 40.976 40.800 -0.071 0.000 0.906 235 D HN 0.282 nan 8.370 nan 0.000 0.530 236 A N 0.109 122.805 122.820 -0.207 0.000 2.238 236 A HA 0.475 4.796 4.320 0.000 0.000 0.208 236 A C 1.155 178.606 177.584 -0.221 0.000 1.177 236 A CA 0.832 52.744 52.037 -0.208 0.000 0.804 236 A CB 0.190 19.043 19.000 -0.245 0.000 0.823 236 A HN 0.270 nan 8.150 nan 0.000 0.482 237 G N -1.477 107.187 108.800 -0.227 0.000 2.427 237 G HA2 0.468 4.428 3.960 0.000 0.000 0.306 237 G HA3 0.468 4.428 3.960 0.000 0.000 0.306 237 G C -3.436 171.379 174.900 -0.142 0.000 1.280 237 G CA -0.709 44.283 45.100 -0.180 0.000 0.837 237 G HN -0.024 nan 8.290 nan 0.000 0.482 238 P HA 0.362 nan 4.420 nan 0.000 0.272 238 P C -2.499 174.761 177.300 -0.066 0.000 1.230 238 P CA -0.909 62.147 63.100 -0.073 0.000 0.788 238 P CB 0.043 31.712 31.700 -0.052 0.000 0.949 239 P HA 0.033 nan 4.420 nan 0.000 0.261 239 P C -2.179 175.130 177.300 0.014 0.000 1.183 239 P CA -0.361 62.732 63.100 -0.011 0.000 0.761 239 P CB -0.648 31.048 31.700 -0.007 0.000 0.785 240 P HA 0.140 nan 4.420 nan 0.000 0.279 240 P C -0.862 176.497 177.300 0.098 0.000 1.276 240 P CA -0.217 62.941 63.100 0.098 0.000 0.801 240 P CB 0.897 32.721 31.700 0.208 0.000 1.127 241 V N 0.932 120.897 119.914 0.085 0.000 2.427 241 V HA 0.162 4.283 4.120 0.000 0.000 0.286 241 V C -0.140 176.003 176.094 0.081 0.000 1.034 241 V CA -0.510 61.821 62.300 0.053 0.000 0.893 241 V CB 0.551 32.368 31.823 -0.010 0.000 0.982 241 V HN 0.455 nan 8.190 nan 0.000 0.452 242 Y N 5.828 126.105 120.300 -0.039 0.000 2.327 242 Y HA 0.598 5.148 4.550 0.000 0.000 0.336 242 Y C -0.559 175.266 175.900 -0.125 0.000 1.035 242 Y CA -0.639 57.446 58.100 -0.025 0.000 1.165 242 Y CB 1.323 39.793 38.460 0.017 0.000 1.181 242 Y HN 0.549 nan 8.280 nan 0.000 0.494 243 L N 7.007 127.830 121.223 -0.667 0.000 2.295 243 L HA 0.631 4.971 4.340 0.000 0.000 0.281 243 L C -0.230 176.094 176.870 -0.910 0.000 1.018 243 L CA -0.306 54.103 54.840 -0.718 0.000 0.841 243 L CB 1.058 42.763 42.059 -0.590 0.000 1.218 243 L HN 0.819 nan 8.230 nan 0.000 0.424 244 G N 4.528 112.897 108.800 -0.717 0.000 3.205 244 G HA2 0.494 4.454 3.960 0.000 0.000 0.343 244 G HA3 0.494 4.454 3.960 0.000 0.000 0.343 244 G C -0.977 173.858 174.900 -0.107 0.000 1.305 244 G CA -0.108 44.818 45.100 -0.290 0.000 1.120 244 G HN 0.312 nan 8.290 nan 0.000 0.472 250 A N -0.214 122.844 122.820 0.397 0.000 2.601 250 A HA 0.939 5.259 4.320 0.000 0.000 0.291 250 A C -3.034 174.757 177.584 0.345 0.000 1.075 250 A CA -0.937 51.270 52.037 0.282 0.000 0.671 250 A CB 1.397 20.492 19.000 0.158 0.000 1.277 250 A HN 0.855 nan 8.150 nan 0.000 0.417 251 P HA 0.414 nan 4.420 nan 0.000 0.279 251 P C 0.848 178.240 177.300 0.153 0.000 1.239 251 P CA 0.386 63.585 63.100 0.165 0.000 0.789 251 P CB 1.528 33.274 31.700 0.077 0.000 0.933 252 A N 3.184 126.126 122.820 0.203 0.000 1.948 252 A HA -0.224 4.097 4.320 0.000 0.000 0.220 252 A C 1.759 179.347 177.584 0.007 0.000 1.177 252 A CA 1.888 54.004 52.037 0.130 0.000 0.636 252 A CB -0.987 18.125 19.000 0.187 0.000 0.815 252 A HN 0.552 nan 8.150 nan 0.000 0.449 253 D N -0.100 120.319 120.400 0.031 0.000 2.178 253 D HA -0.049 4.591 4.640 0.000 0.000 0.201 253 D C 2.180 178.479 176.300 -0.002 0.000 0.980 253 D CA 1.366 55.375 54.000 0.015 0.000 0.842 253 D CB -0.318 40.498 40.800 0.027 0.000 0.948 253 D HN 0.477 nan 8.370 nan 0.000 0.472 254 A N 0.638 123.452 122.820 -0.010 0.000 1.930 254 A HA -0.096 4.224 4.320 0.000 0.000 0.217 254 A C 2.520 180.092 177.584 -0.020 0.000 1.175 254 A CA 0.910 52.938 52.037 -0.014 0.000 0.627 254 A CB -0.533 18.439 19.000 -0.046 0.000 0.815 254 A HN 0.138 nan 8.150 nan 0.000 0.443 255 V N -0.103 119.737 119.914 -0.123 0.000 2.358 255 V HA -0.217 3.903 4.120 0.000 0.000 0.246 255 V C 2.569 178.561 176.094 -0.171 0.000 1.047 255 V CA 2.020 64.168 62.300 -0.253 0.000 1.035 255 V CB -0.819 30.567 31.823 -0.728 0.000 0.658 255 V HN 0.494 nan 8.190 nan 0.000 0.452 256 R N -0.311 120.123 120.500 -0.110 0.000 2.096 256 R HA -0.111 4.230 4.340 0.000 0.000 0.235 256 R C 2.264 178.566 176.300 0.004 0.000 1.127 256 R CA 1.344 57.415 56.100 -0.048 0.000 0.968 256 R CB -0.457 29.831 30.300 -0.019 0.000 0.861 256 R HN 0.409 nan 8.270 nan 0.000 0.440 257 V N 0.819 120.749 119.914 0.026 0.000 2.358 257 V HA -0.230 3.890 4.120 0.000 0.000 0.246 257 V C 2.428 178.576 176.094 0.091 0.000 1.047 257 V CA 1.927 64.283 62.300 0.093 0.000 1.035 257 V CB -0.642 31.238 31.823 0.094 0.000 0.658 257 V HN 0.397 nan 8.190 nan 0.000 0.452 258 A N -0.075 122.759 122.820 0.024 0.000 1.902 258 A HA -0.184 4.137 4.320 0.000 0.000 0.217 258 A C 2.186 179.754 177.584 -0.027 0.000 1.181 258 A CA 1.926 53.952 52.037 -0.020 0.000 0.623 258 A CB -0.542 18.423 19.000 -0.058 0.000 0.818 258 A HN 0.506 nan 8.150 nan 0.000 0.443 259 I N -0.208 120.342 120.570 -0.033 0.000 2.226 259 I HA -0.241 3.929 4.170 0.000 0.000 0.245 259 I C 1.899 178.054 176.117 0.064 0.000 1.100 259 I CA 1.463 62.754 61.300 -0.014 0.000 1.374 259 I CB -0.506 37.474 38.000 -0.034 0.000 1.057 259 I HN 0.252 nan 8.210 nan 0.000 0.413 260 D N 1.154 121.625 120.400 0.118 0.000 2.104 260 D HA -0.181 4.459 4.640 0.000 0.000 0.194 260 D C 2.240 178.768 176.300 0.380 0.000 0.994 260 D CA 1.711 55.850 54.000 0.232 0.000 0.830 260 D CB -0.185 40.778 40.800 0.272 0.000 0.959 260 D HN 0.361 nan 8.370 nan 0.000 0.452 261 A N 0.488 123.457 122.820 0.250 0.000 1.898 261 A HA -0.110 4.210 4.320 0.000 0.000 0.216 261 A C 2.401 180.042 177.584 0.096 0.000 1.181 261 A CA 0.833 52.860 52.037 -0.017 0.000 0.620 261 A CB -0.661 18.194 19.000 -0.241 0.000 0.819 261 A HN 0.199 nan 8.150 nan 0.000 0.442 262 I N -0.883 119.722 120.570 0.058 0.000 2.226 262 I HA -0.265 3.905 4.170 0.000 0.000 0.245 262 I C 2.741 178.930 176.117 0.120 0.000 1.100 262 I CA 1.353 62.686 61.300 0.056 0.000 1.374 262 I CB -0.316 37.686 38.000 0.004 0.000 1.057 262 I HN 0.272 nan 8.210 nan 0.000 0.413 263 R N 0.716 121.288 120.500 0.121 0.000 2.096 263 R HA -0.097 4.244 4.340 0.000 0.000 0.235 263 R C 2.380 178.754 176.300 0.124 0.000 1.127 263 R CA 1.325 57.493 56.100 0.113 0.000 0.968 263 R CB -0.430 29.931 30.300 0.102 0.000 0.861 263 R HN 0.352 nan 8.270 nan 0.000 0.440 264 A N 0.383 123.311 122.820 0.180 0.000 2.125 264 A HA -0.139 4.181 4.320 0.000 0.000 0.219 264 A C 1.170 178.724 177.584 -0.049 0.000 1.156 264 A CA 1.103 53.221 52.037 0.135 0.000 0.671 264 A CB -0.365 18.823 19.000 0.313 0.000 0.794 264 A HN 0.347 nan 8.150 nan 0.000 0.459 265 H N -1.297 117.792 119.070 0.033 0.000 2.520 265 H HA 0.251 4.807 4.556 0.000 0.000 0.284 265 H C 1.487 176.821 175.328 0.010 0.000 1.037 265 H CA 0.392 56.446 56.048 0.009 0.000 1.168 265 H CB 0.064 29.817 29.762 -0.016 0.000 1.497 265 H HN 0.600 nan 8.280 nan 0.000 0.547 266 G N 1.947 110.796 108.800 0.081 0.000 2.198 266 G HA2 -0.273 3.688 3.960 0.000 0.000 0.260 266 G HA3 -0.273 3.688 3.960 0.000 0.000 0.260 266 G C 0.176 175.107 174.900 0.052 0.000 1.025 266 G CA -0.013 45.118 45.100 0.052 0.000 0.769 266 G HN 0.190 nan 8.290 nan 0.000 0.507 267 R N -0.521 120.022 120.500 0.072 0.000 2.732 267 R HA 0.606 4.946 4.340 0.000 0.000 0.278 267 R C 0.803 177.143 176.300 0.068 0.000 0.976 267 R CA -0.814 55.319 56.100 0.056 0.000 0.963 267 R CB 1.097 31.430 30.300 0.054 0.000 1.150 267 R HN 0.346 nan 8.270 nan 0.000 0.478 268 R N 0.087 120.632 120.500 0.076 0.000 2.541 268 R HA 0.554 4.894 4.340 0.000 0.000 0.263 268 R C -0.274 176.126 176.300 0.168 0.000 1.112 268 R CA -0.732 55.454 56.100 0.145 0.000 1.170 268 R CB 0.829 31.226 30.300 0.161 0.000 1.167 268 R HN 0.207 nan 8.270 nan 0.000 0.582 269 V N 1.980 122.023 119.914 0.214 0.000 2.735 269 V HA 0.394 4.514 4.120 0.000 0.000 0.310 269 V C -0.550 175.624 176.094 0.134 0.000 1.061 269 V CA -0.827 61.545 62.300 0.121 0.000 0.913 269 V CB 2.102 33.938 31.823 0.021 0.000 1.005 269 V HN 0.493 nan 8.190 nan 0.000 0.428 270 I N 4.868 125.491 120.570 0.088 0.000 2.389 270 I HA 0.464 4.634 4.170 0.000 0.000 0.288 270 I C -0.340 175.719 176.117 -0.096 0.000 0.999 270 I CA -0.424 60.932 61.300 0.092 0.000 1.129 270 I CB 1.606 39.765 38.000 0.266 0.000 1.288 270 I HN 0.415 nan 8.210 nan 0.000 0.444 271 L N 5.470 126.640 121.223 -0.088 0.000 2.295 271 L HA 0.372 4.712 4.340 0.000 0.000 0.285 271 L C 0.972 177.817 176.870 -0.042 0.000 1.035 271 L CA -0.464 54.294 54.840 -0.136 0.000 0.806 271 L CB 1.644 43.678 42.059 -0.042 0.000 1.214 271 L HN 0.702 nan 8.230 nan 0.000 0.426 272 S N 1.559 117.211 115.700 -0.081 0.000 2.598 272 S HA 0.340 4.810 4.470 0.000 0.000 0.256 272 S C 0.594 175.303 174.600 0.181 0.000 1.350 272 S CA -0.534 57.735 58.200 0.115 0.000 0.984 272 S CB 0.397 63.691 63.200 0.156 0.000 0.930 272 S HN 0.703 nan 8.310 nan 0.000 0.577 273 R N -0.341 120.244 120.500 0.143 0.000 2.585 273 R HA 0.482 4.822 4.340 0.000 0.000 0.275 273 R C 1.554 177.799 176.300 -0.092 0.000 1.018 273 R CA 0.283 56.404 56.100 0.035 0.000 1.072 273 R CB -1.809 28.514 30.300 0.038 0.000 0.953 273 R HN 2.305 nan 8.270 nan 0.000 0.419 274 G N -0.417 108.283 108.800 -0.167 0.000 2.218 274 G HA2 -0.210 3.750 3.960 0.000 0.000 0.216 274 G HA3 -0.210 3.750 3.960 0.000 0.000 0.216 274 G C 0.616 175.218 174.900 -0.497 0.000 0.994 274 G CA 0.472 45.347 45.100 -0.374 0.000 0.637 274 G HN 0.796 nan 8.290 nan 0.000 0.505 275 W N 1.065 122.341 121.300 -0.039 0.000 3.123 275 W HA 0.638 5.298 4.660 0.000 0.000 0.383 275 W C 2.068 178.545 176.519 -0.070 0.000 1.102 275 W CA 0.305 57.623 57.345 -0.045 0.000 1.865 275 W CB 0.384 29.814 29.460 -0.051 0.000 1.111 275 W HN 0.396 nan 8.180 nan 0.000 0.621 276 A N 0.145 122.995 122.820 0.050 0.000 1.986 276 A HA -0.217 4.103 4.320 0.000 0.000 0.220 276 A C 1.515 179.100 177.584 0.001 0.000 1.171 276 A CA 1.842 53.866 52.037 -0.021 0.000 0.640 276 A CB -0.287 18.668 19.000 -0.075 0.000 0.811 276 A HN 0.142 nan 8.150 nan 0.000 0.451 277 D N -0.840 119.579 120.400 0.030 0.000 2.463 277 D HA 0.208 4.848 4.640 0.000 0.000 0.224 277 D C -0.284 176.065 176.300 0.083 0.000 1.174 277 D CA -0.290 53.730 54.000 0.035 0.000 0.829 277 D CB 0.097 40.903 40.800 0.011 0.000 0.993 277 D HN 0.328 nan 8.370 nan 0.000 0.497 278 L N 1.527 122.834 121.223 0.141 0.000 2.410 278 L HA 0.077 4.417 4.340 0.000 0.000 0.273 278 L C -0.265 176.653 176.870 0.080 0.000 1.144 278 L CA -0.021 54.918 54.840 0.166 0.000 0.863 278 L CB 1.047 43.231 42.059 0.207 0.000 1.140 278 L HN -0.276 nan 8.230 nan 0.000 0.463 279 V N 6.975 126.930 119.914 0.069 0.000 2.555 279 V HA 0.210 4.330 4.120 0.000 0.000 0.286 279 V C 0.479 176.590 176.094 0.028 0.000 1.044 279 V CA -0.230 62.094 62.300 0.041 0.000 1.026 279 V CB 0.702 32.548 31.823 0.038 0.000 0.981 279 V HN 0.615 nan 8.190 nan 0.000 0.480 280 L N 6.067 127.302 121.223 0.019 0.000 2.330 280 L HA 0.483 4.823 4.340 0.000 0.000 0.271 280 L C -1.458 175.419 176.870 0.012 0.000 1.013 280 L CA -1.516 53.331 54.840 0.012 0.000 0.816 280 L CB 1.461 43.527 42.059 0.011 0.000 1.287 280 L HN 0.435 nan 8.230 nan 0.000 0.435 281 P HA -0.001 nan 4.420 nan 0.000 0.199 281 P C 0.093 177.399 177.300 0.010 0.000 1.169 281 P CA 0.679 63.784 63.100 0.007 0.000 0.900 281 P CB -0.155 31.547 31.700 0.003 0.000 0.733 282 D N -0.522 119.884 120.400 0.011 0.000 2.360 282 D HA 0.391 5.031 4.640 0.000 0.000 0.242 282 D C 0.220 176.534 176.300 0.022 0.000 1.184 282 D CA 0.158 54.167 54.000 0.015 0.000 0.930 282 D CB -1.046 39.764 40.800 0.016 0.000 1.161 282 D HN 0.475 nan 8.370 nan 0.000 0.447 283 D N -1.190 119.225 120.400 0.025 0.000 2.752 283 D HA 0.395 5.035 4.640 0.000 0.000 0.225 283 D C 1.238 177.563 176.300 0.041 0.000 1.104 283 D CA 0.478 54.497 54.000 0.032 0.000 0.832 283 D CB -0.077 40.745 40.800 0.035 0.000 1.161 283 D HN 0.908 nan 8.370 nan 0.000 0.505 284 G N 0.034 108.858 108.800 0.039 0.000 3.383 284 G HA2 0.420 4.380 3.960 0.000 0.000 0.251 284 G HA3 0.420 4.380 3.960 0.000 0.000 0.251 284 G C 1.463 176.404 174.900 0.068 0.000 1.203 284 G CA 1.055 46.181 45.100 0.043 0.000 0.852 284 G HN 1.079 nan 8.290 nan 0.000 0.531 285 A N 1.262 124.136 122.820 0.089 0.000 2.119 285 A HA 0.030 4.350 4.320 0.000 0.000 0.217 285 A C 1.828 179.549 177.584 0.227 0.000 1.153 285 A CA 1.475 53.593 52.037 0.136 0.000 0.692 285 A CB 0.024 19.091 19.000 0.112 0.000 0.799 285 A HN 0.384 nan 8.150 nan 0.000 0.458 286 D N -1.610 118.909 120.400 0.198 0.000 2.342 286 D HA 0.138 4.778 4.640 0.000 0.000 0.221 286 D C -0.123 176.373 176.300 0.326 0.000 1.101 286 D CA -0.246 53.922 54.000 0.280 0.000 0.837 286 D CB -0.917 39.981 40.800 0.163 0.000 0.938 286 D HN 0.179 nan 8.370 nan 0.000 0.508 287 C N 0.769 120.183 119.300 0.190 0.000 2.369 287 C HA 0.603 5.063 4.460 0.000 0.000 0.322 287 C C -0.905 174.024 174.990 -0.101 0.000 1.258 287 C CA -1.028 58.026 59.018 0.059 0.000 1.487 287 C CB 0.073 27.819 27.740 0.011 0.000 2.165 287 C HN 0.308 nan 8.230 nan 0.000 0.483 288 F N 2.801 122.466 119.950 -0.475 0.000 2.477 288 F HA 0.661 5.188 4.527 0.000 0.000 0.335 288 F C 0.186 175.807 175.800 -0.300 0.000 1.130 288 F CA -0.288 57.338 58.000 -0.622 0.000 0.948 288 F CB 0.908 39.085 39.000 -1.371 0.000 1.154 288 F HN 0.710 nan 8.300 nan 0.000 0.439 289 A N 7.010 129.485 122.820 -0.575 0.000 2.274 289 A HA 0.665 4.985 4.320 0.000 0.000 0.309 289 A C -0.673 176.679 177.584 -0.387 0.000 1.226 289 A CA -0.496 51.352 52.037 -0.315 0.000 0.853 289 A CB -0.028 18.849 19.000 -0.205 0.000 1.146 289 A HN 0.742 nan 8.150 nan 0.000 0.518 290 I N 0.589 121.103 120.570 -0.093 0.000 2.924 290 I HA 0.907 5.077 4.170 0.000 0.000 0.316 290 I C 0.723 176.835 176.117 -0.008 0.000 1.014 290 I CA -0.265 61.034 61.300 -0.002 0.000 1.106 290 I CB 0.999 39.088 38.000 0.149 0.000 1.311 290 I HN 0.524 nan 8.210 nan 0.000 0.502 291 G N 0.821 109.622 108.800 0.001 0.000 3.345 291 G HA2 0.333 4.293 3.960 0.000 0.000 0.202 291 G HA3 0.333 4.293 3.960 0.000 0.000 0.202 291 G C -0.643 174.262 174.900 0.009 0.000 1.740 291 G CA -0.196 44.901 45.100 -0.005 0.000 0.806 291 G HN 0.727 nan 8.290 nan 0.000 0.718 292 E N -0.514 119.684 120.200 -0.003 0.000 2.344 292 E HA 0.455 4.805 4.350 0.000 0.000 0.270 292 E C -0.773 175.797 176.600 -0.049 0.000 1.021 292 E CA 0.014 56.407 56.400 -0.011 0.000 0.887 292 E CB 1.215 30.907 29.700 -0.013 0.000 0.997 292 E HN 0.320 nan 8.360 nan 0.000 0.429 293 V N 4.580 124.421 119.914 -0.122 0.000 3.120 293 V HA 0.326 4.446 4.120 0.000 0.000 0.303 293 V C -1.417 174.479 176.094 -0.331 0.000 1.238 293 V CA -1.044 61.120 62.300 -0.226 0.000 1.008 293 V CB 2.354 34.005 31.823 -0.287 0.000 1.064 293 V HN 0.809 nan 8.190 nan 0.000 0.434 294 N N 2.897 121.442 118.700 -0.258 0.000 2.448 294 N HA 0.211 4.951 4.740 0.000 0.000 0.250 294 N C 0.663 175.953 175.510 -0.367 0.000 1.136 294 N CA 0.428 53.341 53.050 -0.228 0.000 0.953 294 N CB 0.301 38.703 38.487 -0.141 0.000 1.251 294 N HN 0.778 nan 8.380 nan 0.000 0.502 295 H N 1.687 120.509 119.070 -0.412 0.000 2.423 295 H HA -0.045 4.511 4.556 0.000 0.000 0.297 295 H C 1.427 176.262 175.328 -0.823 0.000 1.075 295 H CA 1.507 57.033 56.048 -0.869 0.000 1.342 295 H CB 0.448 29.524 29.762 -1.143 0.000 1.395 295 H HN 0.626 nan 8.280 nan 0.000 0.530 296 Q N -0.114 119.490 119.800 -0.326 0.000 2.096 296 Q HA -0.127 4.214 4.340 0.000 0.000 0.204 296 Q C 2.218 178.148 176.000 -0.116 0.000 0.982 296 Q CA 1.667 57.361 55.803 -0.182 0.000 0.850 296 Q CB 0.087 28.763 28.738 -0.103 0.000 0.901 296 Q HN 0.327 nan 8.270 nan 0.000 0.422 297 V N 0.366 120.203 119.914 -0.127 0.000 2.379 297 V HA -0.183 3.937 4.120 0.000 0.000 0.243 297 V C 2.049 178.115 176.094 -0.046 0.000 1.035 297 V CA 0.999 63.257 62.300 -0.069 0.000 1.035 297 V CB -0.435 31.347 31.823 -0.067 0.000 0.673 297 V HN 0.297 nan 8.190 nan 0.000 0.457 298 L N -0.203 120.956 121.223 -0.106 0.000 2.043 298 L HA -0.154 4.186 4.340 0.000 0.000 0.212 298 L C 2.169 179.130 176.870 0.151 0.000 1.075 298 L CA 2.184 57.011 54.840 -0.023 0.000 0.752 298 L CB -0.824 41.170 42.059 -0.109 0.000 0.891 298 L HN 0.234 nan 8.230 nan 0.000 0.432 299 F N 0.116 120.005 119.950 -0.103 0.000 2.408 299 F HA 0.052 4.579 4.527 0.000 0.000 0.300 299 F C 2.377 178.153 175.800 -0.039 0.000 1.090 299 F CA 0.651 58.593 58.000 -0.098 0.000 1.427 299 F CB -1.686 37.241 39.000 -0.121 0.000 1.070 299 F HN 0.268 nan 8.300 nan 0.000 0.549 300 G N -0.617 108.277 108.800 0.156 0.000 2.985 300 G HA2 -0.046 3.914 3.960 0.000 0.000 0.209 300 G HA3 -0.046 3.914 3.960 0.000 0.000 0.209 300 G C 1.537 176.489 174.900 0.088 0.000 1.165 300 G CA -0.151 45.007 45.100 0.097 0.000 0.776 300 G HN 0.263 nan 8.290 nan 0.000 0.541 301 R N -0.282 120.275 120.500 0.094 0.000 2.565 301 R HA 0.252 4.592 4.340 0.000 0.000 0.347 301 R C -0.007 176.343 176.300 0.083 0.000 1.010 301 R CA -0.115 56.029 56.100 0.073 0.000 1.126 301 R CB 1.205 31.537 30.300 0.053 0.000 1.331 301 R HN 0.289 nan 8.270 nan 0.000 0.552 302 V N -3.547 116.427 119.914 0.100 0.000 2.881 302 V HA 0.684 4.804 4.120 0.000 0.000 0.316 302 V C 0.981 177.117 176.094 0.070 0.000 1.070 302 V CA -0.627 61.730 62.300 0.094 0.000 0.976 302 V CB 1.765 33.661 31.823 0.121 0.000 1.038 302 V HN 0.015 nan 8.190 nan 0.000 0.446 303 A N 1.784 124.635 122.820 0.052 0.000 2.014 303 A HA 0.734 5.054 4.320 0.000 0.000 0.218 303 A C 1.181 178.788 177.584 0.038 0.000 1.163 303 A CA 1.258 53.319 52.037 0.040 0.000 0.652 303 A CB -0.422 18.585 19.000 0.012 0.000 0.808 303 A HN 2.286 nan 8.150 nan 0.000 0.449 304 A N -1.929 120.897 122.820 0.010 0.000 2.567 304 A HA 0.529 4.849 4.320 0.000 0.000 0.291 304 A C -1.003 176.548 177.584 -0.055 0.000 1.048 304 A CA 0.098 52.117 52.037 -0.030 0.000 0.661 304 A CB 0.306 19.282 19.000 -0.041 0.000 1.288 304 A HN 1.360 nan 8.150 nan 0.000 0.424 305 V N -0.905 118.949 119.914 -0.101 0.000 2.540 305 V HA 0.850 4.970 4.120 0.000 0.000 0.302 305 V C -0.669 175.433 176.094 0.013 0.000 1.035 305 V CA -0.580 61.665 62.300 -0.091 0.000 0.873 305 V CB 1.215 32.771 31.823 -0.445 0.000 0.992 305 V HN 0.730 nan 8.190 nan 0.000 0.428 306 I N 6.057 126.627 120.570 -0.000 0.000 2.389 306 I HA 0.770 4.940 4.170 0.000 0.000 0.288 306 I C -0.100 175.957 176.117 -0.100 0.000 0.999 306 I CA -0.238 60.993 61.300 -0.114 0.000 1.129 306 I CB 1.438 39.278 38.000 -0.267 0.000 1.288 306 I HN 1.134 nan 8.210 nan 0.000 0.444 307 H N 0.980 120.014 119.070 -0.060 0.000 2.905 307 H HA 0.416 4.972 4.556 0.000 0.000 0.280 307 H C -0.571 174.909 175.328 0.253 0.000 1.445 307 H CA -0.807 55.265 56.048 0.041 0.000 1.165 307 H CB 0.927 30.729 29.762 0.066 0.000 1.857 307 H HN 0.413 nan 8.280 nan 0.000 0.567 308 H N -0.671 118.634 119.070 0.392 0.000 2.551 308 H HA 0.237 4.793 4.556 0.000 0.000 0.266 308 H C 0.797 176.209 175.328 0.141 0.000 0.977 308 H CA 0.396 56.573 56.048 0.216 0.000 1.163 308 H CB 0.475 30.362 29.762 0.208 0.000 1.381 308 H HN 0.966 nan 8.280 nan 0.000 0.581 309 G N 0.609 109.588 108.800 0.299 0.000 2.130 309 G HA2 -0.213 3.747 3.960 0.000 0.000 0.216 309 G HA3 -0.213 3.747 3.960 0.000 0.000 0.216 309 G C 0.592 175.664 174.900 0.288 0.000 0.999 309 G CA -0.154 45.095 45.100 0.248 0.000 0.686 309 G HN 0.645 nan 8.290 nan 0.000 0.515 310 G N -0.733 108.229 108.800 0.270 0.000 2.544 310 G HA2 0.610 4.570 3.960 0.000 0.000 0.242 310 G HA3 0.610 4.570 3.960 0.000 0.000 0.242 310 G C 1.350 176.183 174.900 -0.110 0.000 1.247 310 G CA 0.746 45.909 45.100 0.105 0.000 0.840 310 G HN 1.356 nan 8.290 nan 0.000 0.578 311 A N 1.550 124.225 122.820 -0.241 0.000 1.892 311 A HA -0.015 4.305 4.320 0.000 0.000 0.218 311 A C 2.654 180.098 177.584 -0.233 0.000 1.188 311 A CA 2.522 54.238 52.037 -0.535 0.000 0.631 311 A CB -1.114 17.756 19.000 -0.216 0.000 0.822 311 A HN 1.076 nan 8.150 nan 0.000 0.447 312 G N -1.168 107.520 108.800 -0.186 0.000 2.453 312 G HA2 -0.181 3.779 3.960 0.000 0.000 0.215 312 G HA3 -0.181 3.779 3.960 0.000 0.000 0.215 312 G C 1.604 176.452 174.900 -0.086 0.000 1.201 312 G CA 1.720 46.735 45.100 -0.141 0.000 0.784 312 G HN 0.434 nan 8.290 nan 0.000 0.545 313 T N 1.044 115.525 114.554 -0.122 0.000 2.720 313 T HA -0.128 4.222 4.350 0.000 0.000 0.268 313 T C 2.616 177.225 174.700 -0.151 0.000 1.037 313 T CA 1.844 63.841 62.100 -0.172 0.000 1.144 313 T CB -0.586 68.067 68.868 -0.358 0.000 0.864 313 T HN 0.311 nan 8.240 nan 0.000 0.444 314 T N 0.762 115.272 114.554 -0.074 0.000 2.788 314 T HA -0.115 4.235 4.350 0.000 0.000 0.268 314 T C 1.755 176.432 174.700 -0.038 0.000 1.044 314 T CA 1.413 63.520 62.100 0.010 0.000 1.139 314 T CB -0.375 68.472 68.868 -0.035 0.000 0.867 314 T HN 0.524 nan 8.240 nan 0.000 0.454 315 H N 0.132 119.149 119.070 -0.088 0.000 2.357 315 H HA 0.044 4.601 4.556 0.000 0.000 0.301 315 H C 2.324 177.656 175.328 0.007 0.000 1.082 315 H CA 1.170 57.203 56.048 -0.025 0.000 1.342 315 H CB -0.453 29.282 29.762 -0.044 0.000 1.389 315 H HN 0.099 nan 8.280 nan 0.000 0.511 316 V N 0.463 120.453 119.914 0.126 0.000 2.343 316 V HA -0.259 3.861 4.120 0.000 0.000 0.247 316 V C 2.529 178.747 176.094 0.207 0.000 1.051 316 V CA 1.692 64.059 62.300 0.112 0.000 1.036 316 V CB -0.958 30.882 31.823 0.029 0.000 0.654 316 V HN 0.577 nan 8.190 nan 0.000 0.451 317 A N -0.137 122.821 122.820 0.230 0.000 1.930 317 A HA -0.048 4.273 4.320 0.000 0.000 0.217 317 A C 2.408 180.019 177.584 0.045 0.000 1.175 317 A CA 1.903 54.016 52.037 0.127 0.000 0.627 317 A CB -0.673 18.236 19.000 -0.151 0.000 0.815 317 A HN 0.551 nan 8.150 nan 0.000 0.443 318 A N -0.060 122.776 122.820 0.026 0.000 1.873 318 A HA -0.134 4.186 4.320 0.000 0.000 0.215 318 A C 2.180 179.771 177.584 0.011 0.000 1.186 318 A CA 2.049 54.084 52.037 -0.003 0.000 0.616 318 A CB -0.422 18.555 19.000 -0.039 0.000 0.823 318 A HN 0.439 nan 8.150 nan 0.000 0.442 319 R N 0.329 120.853 120.500 0.039 0.000 2.115 319 R HA 0.055 4.395 4.340 0.000 0.000 0.230 319 R C 1.844 178.165 176.300 0.035 0.000 1.111 319 R CA 1.697 57.820 56.100 0.039 0.000 0.976 319 R CB -0.807 29.527 30.300 0.056 0.000 0.870 319 R HN 0.372 nan 8.270 nan 0.000 0.445 320 A N -0.813 122.042 122.820 0.059 0.000 2.167 320 A HA 0.265 4.585 4.320 0.000 0.000 0.214 320 A C 1.438 179.038 177.584 0.027 0.000 1.151 320 A CA 0.750 52.826 52.037 0.065 0.000 0.735 320 A CB -0.557 18.533 19.000 0.149 0.000 0.802 320 A HN 0.564 nan 8.150 nan 0.000 0.467 321 G N -1.928 106.867 108.800 -0.007 0.000 2.160 321 G HA2 0.112 4.072 3.960 0.000 0.000 0.244 321 G HA3 0.112 4.072 3.960 0.000 0.000 0.244 321 G C 0.237 175.079 174.900 -0.097 0.000 1.022 321 G CA 0.344 45.402 45.100 -0.070 0.000 0.741 321 G HN 1.576 nan 8.290 nan 0.000 0.508 322 A N 0.245 123.033 122.820 -0.053 0.000 2.301 322 A HA 0.792 5.112 4.320 0.000 0.000 0.298 322 A C -1.727 175.814 177.584 -0.072 0.000 1.185 322 A CA -1.466 50.534 52.037 -0.061 0.000 0.830 322 A CB 0.961 19.897 19.000 -0.107 0.000 1.112 322 A HN 0.130 nan 8.150 nan 0.000 0.508 323 P HA 0.151 nan 4.420 nan 0.000 0.266 323 P C -0.636 176.635 177.300 -0.048 0.000 1.195 323 P CA 0.383 63.461 63.100 -0.036 0.000 0.768 323 P CB 0.476 32.176 31.700 0.001 0.000 0.838 324 Q N 1.736 121.513 119.800 -0.039 0.000 2.394 324 Q HA 0.651 4.991 4.340 0.000 0.000 0.273 324 Q C -0.734 175.235 176.000 -0.052 0.000 1.089 324 Q CA -0.736 55.048 55.803 -0.033 0.000 0.812 324 Q CB 2.304 31.052 28.738 0.015 0.000 1.353 324 Q HN 0.364 nan 8.270 nan 0.000 0.438 325 I N 2.664 123.187 120.570 -0.078 0.000 2.439 325 I HA 0.285 4.455 4.170 0.000 0.000 0.285 325 I C -1.380 174.653 176.117 -0.140 0.000 1.021 325 I CA -0.754 60.500 61.300 -0.076 0.000 1.091 325 I CB 1.312 39.273 38.000 -0.065 0.000 1.242 325 I HN 0.282 nan 8.210 nan 0.000 0.439 326 L N 7.436 128.592 121.223 -0.113 0.000 2.307 326 L HA 0.457 4.797 4.340 0.000 0.000 0.284 326 L C -0.596 176.296 176.870 0.036 0.000 1.023 326 L CA -0.346 54.409 54.840 -0.141 0.000 0.810 326 L CB 1.495 43.469 42.059 -0.143 0.000 1.231 326 L HN 0.408 nan 8.230 nan 0.000 0.423 327 L N 6.296 127.578 121.223 0.099 0.000 2.435 327 L HA 0.421 4.761 4.340 0.000 0.000 0.253 327 L C -2.081 174.886 176.870 0.161 0.000 1.087 327 L CA -1.275 53.652 54.840 0.145 0.000 0.950 327 L CB 0.712 42.818 42.059 0.079 0.000 1.304 327 L HN 0.381 nan 8.230 nan 0.000 0.453 328 P HA 0.026 nan 4.420 nan 0.000 0.265 328 P C -0.578 176.733 177.300 0.018 0.000 1.193 328 P CA 0.005 63.161 63.100 0.093 0.000 0.765 328 P CB 1.459 33.221 31.700 0.102 0.000 0.823 329 Q N 2.158 121.938 119.800 -0.033 0.000 2.532 329 Q HA 0.239 4.579 4.340 0.000 0.000 0.247 329 Q C 1.017 177.009 176.000 -0.013 0.000 0.872 329 Q CA 1.117 56.863 55.803 -0.096 0.000 0.963 329 Q CB 0.374 28.949 28.738 -0.272 0.000 1.159 329 Q HN 0.655 nan 8.270 nan 0.000 0.598 330 M N -3.440 116.182 119.600 0.036 0.000 3.008 330 M HA 0.717 5.197 4.480 0.000 0.000 0.271 330 M C -0.159 176.230 176.300 0.149 0.000 1.265 330 M CA -0.203 55.147 55.300 0.083 0.000 0.817 330 M CB 1.721 34.360 32.600 0.065 0.000 1.638 330 M HN 0.004 nan 8.290 nan 0.000 0.479 331 A N 1.100 124.035 122.820 0.192 0.000 5.318 331 A HA -0.323 3.998 4.320 0.000 0.000 0.329 331 A C 0.741 178.556 177.584 0.385 0.000 1.789 331 A CA 2.242 54.457 52.037 0.296 0.000 0.711 331 A CB -2.512 16.603 19.000 0.191 0.000 1.398 331 A HN 1.322 nan 8.150 nan 0.000 0.392 332 D N 0.181 120.795 120.400 0.357 0.000 2.340 332 D HA 0.109 4.749 4.640 0.000 0.000 0.220 332 D C 1.474 178.052 176.300 0.464 0.000 1.039 332 D CA 1.073 55.344 54.000 0.452 0.000 0.866 332 D CB -0.498 40.544 40.800 0.403 0.000 0.913 332 D HN 0.754 nan 8.370 nan 0.000 0.523 333 Q N 0.240 120.248 119.800 0.346 0.000 2.084 333 Q HA -0.070 4.270 4.340 0.000 0.000 0.202 333 Q C -0.488 175.670 176.000 0.262 0.000 0.978 333 Q CA 1.425 57.418 55.803 0.318 0.000 0.844 333 Q CB -1.024 27.845 28.738 0.219 0.000 0.898 333 Q HN 0.371 nan 8.270 nan 0.000 0.426 334 P HA -0.199 nan 4.420 nan 0.000 0.216 334 P C 0.825 178.192 177.300 0.111 0.000 1.150 334 P CA 1.045 64.224 63.100 0.133 0.000 0.837 334 P CB -0.137 31.629 31.700 0.110 0.000 0.786 335 Y N -0.890 119.436 120.300 0.044 0.000 2.114 335 Y HA -0.269 4.281 4.550 0.000 0.000 0.284 335 Y C 2.107 177.921 175.900 -0.144 0.000 1.143 335 Y CA 1.673 59.724 58.100 -0.081 0.000 1.135 335 Y CB -1.132 37.240 38.460 -0.147 0.000 0.980 335 Y HN -0.082 nan 8.280 nan 0.000 0.499 336 Y N -0.251 120.099 120.300 0.083 0.000 2.293 336 Y HA -0.162 4.389 4.550 0.000 0.000 0.291 336 Y C 2.628 178.474 175.900 -0.089 0.000 1.137 336 Y CA 1.081 59.168 58.100 -0.021 0.000 1.202 336 Y CB -0.699 37.852 38.460 0.153 0.000 0.990 336 Y HN 0.279 nan 8.280 nan 0.000 0.537 337 A N 0.077 122.942 122.820 0.074 0.000 1.902 337 A HA -0.131 4.190 4.320 0.000 0.000 0.217 337 A C 2.548 180.094 177.584 -0.063 0.000 1.181 337 A CA 1.771 53.817 52.037 0.015 0.000 0.623 337 A CB -1.455 17.567 19.000 0.037 0.000 0.818 337 A HN 0.463 nan 8.150 nan 0.000 0.443 338 G N -0.821 107.900 108.800 -0.132 0.000 2.422 338 G HA2 -0.193 3.767 3.960 0.000 0.000 0.218 338 G HA3 -0.193 3.767 3.960 0.000 0.000 0.218 338 G C 1.678 176.444 174.900 -0.224 0.000 1.146 338 G CA 0.688 45.683 45.100 -0.174 0.000 0.769 338 G HN 0.374 nan 8.290 nan 0.000 0.547 339 R N 0.166 120.459 120.500 -0.345 0.000 2.092 339 R HA 0.028 4.368 4.340 0.000 0.000 0.231 339 R C 2.678 178.895 176.300 -0.138 0.000 1.119 339 R CA 0.628 56.549 56.100 -0.298 0.000 0.970 339 R CB -1.205 28.846 30.300 -0.415 0.000 0.864 339 R HN 0.343 nan 8.270 nan 0.000 0.440 340 V N 1.303 121.166 119.914 -0.084 0.000 2.343 340 V HA -0.230 3.891 4.120 0.000 0.000 0.247 340 V C 2.482 178.545 176.094 -0.052 0.000 1.051 340 V CA 1.903 64.177 62.300 -0.043 0.000 1.036 340 V CB -0.734 31.079 31.823 -0.016 0.000 0.654 340 V HN 0.322 nan 8.190 nan 0.000 0.451 341 A N -0.479 122.304 122.820 -0.061 0.000 1.898 341 A HA -0.204 4.116 4.320 0.000 0.000 0.216 341 A C 2.143 179.693 177.584 -0.056 0.000 1.181 341 A CA 1.637 53.642 52.037 -0.053 0.000 0.620 341 A CB -0.436 18.532 19.000 -0.053 0.000 0.819 341 A HN 0.616 nan 8.150 nan 0.000 0.442 342 E N -0.149 120.007 120.200 -0.075 0.000 2.110 342 E HA -0.142 4.208 4.350 0.000 0.000 0.193 342 E C 1.719 178.286 176.600 -0.055 0.000 0.988 342 E CA 1.106 57.465 56.400 -0.068 0.000 0.804 342 E CB -0.281 29.365 29.700 -0.091 0.000 0.745 342 E HN 0.605 nan 8.360 nan 0.000 0.458 343 L N -0.408 120.781 121.223 -0.057 0.000 2.478 343 L HA 0.056 4.396 4.340 0.000 0.000 0.223 343 L C 1.482 178.330 176.870 -0.036 0.000 1.140 343 L CA 0.487 55.301 54.840 -0.044 0.000 0.842 343 L CB -0.093 41.940 42.059 -0.044 0.000 0.953 343 L HN 0.316 nan 8.230 nan 0.000 0.452 344 G N 0.122 108.900 108.800 -0.037 0.000 2.143 344 G HA2 -0.278 3.682 3.960 0.000 0.000 0.248 344 G HA3 -0.278 3.682 3.960 0.000 0.000 0.248 344 G C 0.743 175.625 174.900 -0.031 0.000 0.991 344 G CA 0.466 45.548 45.100 -0.030 0.000 0.689 344 G HN 0.342 nan 8.290 nan 0.000 0.522 345 V N -2.605 117.289 119.914 -0.035 0.000 3.596 345 V HA 0.712 4.832 4.120 0.000 0.000 0.289 345 V C 1.085 177.159 176.094 -0.034 0.000 1.336 345 V CA 0.986 63.263 62.300 -0.038 0.000 1.137 345 V CB 0.072 31.870 31.823 -0.041 0.000 0.966 345 V HN 1.813 nan 8.190 nan 0.000 0.428 346 G N -0.811 107.971 108.800 -0.031 0.000 2.341 346 G HA2 0.511 4.471 3.960 0.000 0.000 0.299 346 G HA3 0.511 4.471 3.960 0.000 0.000 0.299 346 G C -1.756 173.126 174.900 -0.030 0.000 1.274 346 G CA 0.001 45.082 45.100 -0.031 0.000 0.853 346 G HN 0.309 nan 8.290 nan 0.000 0.493 347 V N 0.351 120.248 119.914 -0.028 0.000 2.604 347 V HA 0.721 4.842 4.120 0.000 0.000 0.305 347 V C 0.341 176.433 176.094 -0.004 0.000 1.043 347 V CA -0.259 62.030 62.300 -0.018 0.000 0.888 347 V CB 1.601 33.417 31.823 -0.011 0.000 0.995 347 V HN 1.524 nan 8.190 nan 0.000 0.429 348 A N 3.344 126.161 122.820 -0.005 0.000 2.478 348 A HA 0.377 4.697 4.320 0.000 0.000 0.327 348 A C 0.101 177.706 177.584 0.035 0.000 1.431 348 A CA -0.298 51.745 52.037 0.010 0.000 1.014 348 A CB -0.384 18.606 19.000 -0.016 0.000 1.143 348 A HN 0.939 nan 8.150 nan 0.000 0.532 349 H N 2.351 121.409 119.070 -0.020 0.000 2.928 349 H HA -0.021 4.535 4.556 0.000 0.000 0.338 349 H C 0.305 175.631 175.328 -0.004 0.000 1.047 349 H CA 0.432 56.474 56.048 -0.010 0.000 1.435 349 H CB 0.751 30.516 29.762 0.006 0.000 1.428 349 H HN 0.801 nan 8.280 nan 0.000 0.590 350 D N 3.385 123.526 120.400 -0.431 0.000 2.120 350 D HA -0.064 4.576 4.640 0.000 0.000 0.216 350 D C 0.986 177.245 176.300 -0.068 0.000 0.999 350 D CA 1.365 55.226 54.000 -0.232 0.000 0.903 350 D CB -0.639 40.005 40.800 -0.261 0.000 1.104 350 D HN 0.788 nan 8.370 nan 0.000 0.466 351 G N -0.271 108.487 108.800 -0.069 0.000 2.732 351 G HA2 0.115 4.075 3.960 0.000 0.000 0.244 351 G HA3 0.115 4.075 3.960 0.000 0.000 0.244 351 G C -1.700 173.346 174.900 0.244 0.000 1.226 351 G CA -0.191 44.979 45.100 0.117 0.000 0.860 351 G HN 0.271 nan 8.290 nan 0.000 0.583 352 P HA 0.146 nan 4.420 nan 0.000 0.240 352 P C 0.132 177.410 177.300 -0.036 0.000 1.190 352 P CA 0.534 63.650 63.100 0.026 0.000 0.781 352 P CB 0.632 32.315 31.700 -0.028 0.000 0.931 353 I N 2.369 122.949 120.570 0.015 0.000 2.509 353 I HA 0.380 4.550 4.170 0.000 0.000 0.293 353 I C -2.442 173.697 176.117 0.036 0.000 1.020 353 I CA -3.145 58.137 61.300 -0.031 0.000 1.088 353 I CB 2.131 40.126 38.000 -0.009 0.000 1.267 353 I HN -0.164 nan 8.210 nan 0.000 0.430 354 P HA 0.408 nan 4.420 nan 0.000 0.285 354 P C -0.704 176.648 177.300 0.086 0.000 1.269 354 P CA -0.152 62.945 63.100 -0.006 0.000 0.844 354 P CB 1.832 33.453 31.700 -0.132 0.000 1.094 355 T N -2.445 112.194 114.554 0.141 0.000 2.930 355 T HA 0.324 4.674 4.350 0.000 0.000 0.290 355 T C 0.775 175.567 174.700 0.153 0.000 1.052 355 T CA -0.594 61.590 62.100 0.140 0.000 1.017 355 T CB 0.793 69.741 68.868 0.133 0.000 1.137 355 T HN 0.224 nan 8.240 nan 0.000 0.511 356 F N 1.288 121.270 119.950 0.055 0.000 2.095 356 F HA -0.081 4.446 4.527 0.000 0.000 0.298 356 F C 1.816 177.658 175.800 0.071 0.000 1.104 356 F CA 1.984 60.017 58.000 0.055 0.000 1.232 356 F CB -0.378 38.645 39.000 0.040 0.000 0.987 356 F HN 0.614 nan 8.300 nan 0.000 0.475 357 D N -0.238 120.251 120.400 0.148 0.000 2.117 357 D HA -0.163 4.477 4.640 0.000 0.000 0.197 357 D C 2.575 178.869 176.300 -0.009 0.000 0.987 357 D CA 1.780 55.812 54.000 0.053 0.000 0.829 357 D CB -0.639 40.234 40.800 0.122 0.000 0.961 357 D HN 0.440 nan 8.370 nan 0.000 0.460 358 S N 0.305 116.035 115.700 0.050 0.000 2.368 358 S HA -0.121 4.349 4.470 0.000 0.000 0.224 358 S C 1.997 176.667 174.600 0.118 0.000 1.029 358 S CA 0.498 58.745 58.200 0.079 0.000 0.988 358 S CB -0.495 62.802 63.200 0.162 0.000 0.838 358 S HN 0.136 nan 8.310 nan 0.000 0.462 359 L N 1.756 123.019 121.223 0.068 0.000 2.179 359 L HA 0.185 4.525 4.340 0.000 0.000 0.208 359 L C 2.719 179.510 176.870 -0.131 0.000 1.096 359 L CA 1.579 56.409 54.840 -0.017 0.000 0.779 359 L CB -0.974 41.037 42.059 -0.080 0.000 0.922 359 L HN 0.458 nan 8.230 nan 0.000 0.443 360 S N -0.920 114.641 115.700 -0.233 0.000 2.382 360 S HA -0.149 4.321 4.470 0.000 0.000 0.228 360 S C 2.162 176.742 174.600 -0.034 0.000 1.027 360 S CA 1.141 59.236 58.200 -0.176 0.000 0.991 360 S CB -0.264 62.697 63.200 -0.398 0.000 0.823 360 S HN 0.573 nan 8.310 nan 0.000 0.469 361 A N 1.278 124.074 122.820 -0.042 0.000 1.902 361 A HA 0.213 4.534 4.320 0.000 0.000 0.217 361 A C 2.460 180.025 177.584 -0.032 0.000 1.181 361 A CA 1.801 53.831 52.037 -0.012 0.000 0.623 361 A CB -1.356 17.637 19.000 -0.012 0.000 0.818 361 A HN 0.733 nan 8.150 nan 0.000 0.443 362 A N -0.289 122.511 122.820 -0.033 0.000 1.902 362 A HA -0.037 4.283 4.320 0.000 0.000 0.217 362 A C 2.164 179.682 177.584 -0.110 0.000 1.181 362 A CA 1.500 53.516 52.037 -0.035 0.000 0.623 362 A CB -0.620 18.398 19.000 0.031 0.000 0.818 362 A HN 0.462 nan 8.150 nan 0.000 0.443 363 L N -0.729 120.360 121.223 -0.223 0.000 2.083 363 L HA -0.191 4.149 4.340 0.000 0.000 0.209 363 L C 3.071 179.721 176.870 -0.366 0.000 1.083 363 L CA 0.953 55.550 54.840 -0.405 0.000 0.752 363 L CB -0.486 41.094 42.059 -0.797 0.000 0.899 363 L HN 0.440 nan 8.230 nan 0.000 0.433 364 A N -0.569 122.124 122.820 -0.213 0.000 1.940 364 A HA -0.211 4.109 4.320 0.000 0.000 0.219 364 A C 2.357 179.935 177.584 -0.009 0.000 1.176 364 A CA 2.454 54.506 52.037 0.026 0.000 0.631 364 A CB -0.795 18.277 19.000 0.119 0.000 0.814 364 A HN 0.402 nan 8.150 nan 0.000 0.446 365 T N -0.231 114.302 114.554 -0.035 0.000 2.809 365 T HA 0.159 4.509 4.350 0.000 0.000 0.260 365 T C 2.268 176.951 174.700 -0.029 0.000 1.039 365 T CA 1.192 63.278 62.100 -0.023 0.000 1.141 365 T CB -0.392 68.462 68.868 -0.023 0.000 0.869 365 T HN 0.557 nan 8.240 nan 0.000 0.437 366 A N 1.195 123.984 122.820 -0.053 0.000 1.972 366 A HA 0.093 4.413 4.320 0.000 0.000 0.219 366 A C 2.025 179.591 177.584 -0.029 0.000 1.169 366 A CA 1.065 53.074 52.037 -0.046 0.000 0.635 366 A CB -0.725 18.235 19.000 -0.067 0.000 0.810 366 A HN 0.491 nan 8.150 nan 0.000 0.446 367 L N 0.734 121.930 121.223 -0.046 0.000 2.591 367 L HA 0.050 4.390 4.340 0.000 0.000 0.228 367 L C 1.203 178.078 176.870 0.010 0.000 1.133 367 L CA 0.258 55.087 54.840 -0.018 0.000 0.880 367 L CB -0.597 41.440 42.059 -0.037 0.000 1.033 367 L HN 0.477 nan 8.230 nan 0.000 0.450 368 T N -3.682 110.882 114.554 0.015 0.000 2.898 368 T HA 0.127 4.477 4.350 0.000 0.000 0.301 368 T C -1.692 173.032 174.700 0.040 0.000 1.049 368 T CA -1.374 60.740 62.100 0.023 0.000 1.095 368 T CB 1.120 69.999 68.868 0.019 0.000 0.976 368 T HN -0.153 nan 8.240 nan 0.000 0.539 369 P HA -0.011 nan 4.420 nan 0.000 0.218 369 P C 1.239 178.582 177.300 0.072 0.000 1.149 369 P CA 0.783 63.910 63.100 0.045 0.000 0.817 369 P CB 0.100 31.810 31.700 0.017 0.000 0.785 370 E N -1.091 119.136 120.200 0.044 0.000 2.051 370 E HA -0.121 4.229 4.350 0.000 0.000 0.192 370 E C 1.997 178.618 176.600 0.034 0.000 0.991 370 E CA 1.623 58.043 56.400 0.033 0.000 0.799 370 E CB -1.365 28.345 29.700 0.018 0.000 0.748 370 E HN 0.172 nan 8.360 nan 0.000 0.449 371 T N 0.035 114.610 114.554 0.035 0.000 2.788 371 T HA -0.180 4.170 4.350 0.000 0.000 0.268 371 T C 1.656 176.373 174.700 0.028 0.000 1.044 371 T CA 1.357 63.470 62.100 0.021 0.000 1.139 371 T CB -0.330 68.546 68.868 0.014 0.000 0.867 371 T HN 0.314 nan 8.240 nan 0.000 0.454 372 H N 1.121 120.182 119.070 -0.015 0.000 2.353 372 H HA 0.037 4.593 4.556 0.000 0.000 0.300 372 H C 2.390 177.713 175.328 -0.009 0.000 1.090 372 H CA 1.559 57.599 56.048 -0.013 0.000 1.327 372 H CB -0.206 29.550 29.762 -0.011 0.000 1.383 372 H HN 0.356 nan 8.280 nan 0.000 0.508 373 A N 1.156 124.013 122.820 0.061 0.000 1.902 373 A HA -0.192 4.128 4.320 0.000 0.000 0.217 373 A C 2.502 180.057 177.584 -0.050 0.000 1.181 373 A CA 1.696 53.742 52.037 0.015 0.000 0.623 373 A CB -0.506 18.521 19.000 0.046 0.000 0.818 373 A HN 0.350 nan 8.150 nan 0.000 0.443 374 R N 0.247 120.722 120.500 -0.040 0.000 2.073 374 R HA -0.007 4.333 4.340 0.000 0.000 0.234 374 R C 2.160 178.415 176.300 -0.074 0.000 1.134 374 R CA 2.021 58.094 56.100 -0.045 0.000 0.952 374 R CB -1.006 29.276 30.300 -0.030 0.000 0.850 374 R HN 0.375 nan 8.270 nan 0.000 0.433 375 A N -0.852 121.904 122.820 -0.108 0.000 1.933 375 A HA -0.130 4.190 4.320 0.000 0.000 0.218 375 A C 2.178 179.670 177.584 -0.152 0.000 1.175 375 A CA 2.066 54.027 52.037 -0.126 0.000 0.628 375 A CB -0.953 17.957 19.000 -0.150 0.000 0.814 375 A HN 0.490 nan 8.150 nan 0.000 0.444 376 T N 0.095 114.517 114.554 -0.220 0.000 2.777 376 T HA 0.054 4.404 4.350 0.000 0.000 0.266 376 T C 2.246 176.894 174.700 -0.086 0.000 1.040 376 T CA 1.417 63.409 62.100 -0.180 0.000 1.141 376 T CB -0.386 68.359 68.868 -0.206 0.000 0.868 376 T HN 0.584 nan 8.240 nan 0.000 0.444 377 A N 1.113 123.892 122.820 -0.068 0.000 1.873 377 A HA -0.030 4.290 4.320 0.000 0.000 0.215 377 A C 2.576 180.141 177.584 -0.031 0.000 1.186 377 A CA 1.293 53.307 52.037 -0.037 0.000 0.616 377 A CB -1.078 17.906 19.000 -0.028 0.000 0.823 377 A HN 0.327 nan 8.150 nan 0.000 0.442 378 V N 0.134 120.026 119.914 -0.037 0.000 2.392 378 V HA -0.289 3.831 4.120 0.000 0.000 0.249 378 V C 3.051 179.132 176.094 -0.021 0.000 1.059 378 V CA 1.915 64.199 62.300 -0.027 0.000 1.051 378 V CB -1.339 30.465 31.823 -0.032 0.000 0.658 378 V HN 0.627 nan 8.190 nan 0.000 0.455 379 A N 0.682 123.483 122.820 -0.030 0.000 1.917 379 A HA -0.185 4.136 4.320 0.000 0.000 0.219 379 A C 2.404 179.985 177.584 -0.005 0.000 1.182 379 A CA 2.097 54.123 52.037 -0.018 0.000 0.633 379 A CB -1.234 17.749 19.000 -0.028 0.000 0.819 379 A HN 0.566 nan 8.150 nan 0.000 0.448 380 G N -1.067 107.727 108.800 -0.009 0.000 2.470 380 G HA2 -0.105 3.855 3.960 0.000 0.000 0.220 380 G HA3 -0.105 3.855 3.960 0.000 0.000 0.220 380 G C 1.520 176.422 174.900 0.004 0.000 1.121 380 G CA 1.821 46.920 45.100 -0.002 0.000 0.766 380 G HN 0.775 nan 8.290 nan 0.000 0.553 381 T N -1.526 113.031 114.554 0.005 0.000 3.081 381 T HA 0.316 4.667 4.350 0.000 0.000 0.250 381 T C 0.919 175.633 174.700 0.022 0.000 1.100 381 T CA -0.399 61.708 62.100 0.011 0.000 1.038 381 T CB 0.024 68.897 68.868 0.008 0.000 0.962 381 T HN -0.047 nan 8.240 nan 0.000 0.516 382 I N 4.384 124.969 120.570 0.026 0.000 2.517 382 I HA 0.228 4.398 4.170 0.000 0.000 0.285 382 I C 0.990 177.139 176.117 0.053 0.000 1.106 382 I CA -0.306 61.022 61.300 0.047 0.000 1.402 382 I CB 0.243 38.272 38.000 0.048 0.000 1.399 382 I HN 0.482 nan 8.210 nan 0.000 0.535 383 R N 4.061 124.600 120.500 0.066 0.000 2.531 383 R HA 0.403 4.743 4.340 0.000 0.000 0.273 383 R C 0.376 176.714 176.300 0.062 0.000 1.070 383 R CA -0.313 55.819 56.100 0.054 0.000 1.112 383 R CB 0.480 30.809 30.300 0.050 0.000 1.049 383 R HN 0.687 nan 8.270 nan 0.000 0.508 384 T N -3.220 111.359 114.554 0.040 0.000 3.043 384 T HA 0.028 4.378 4.350 0.000 0.000 0.272 384 T C 0.244 174.956 174.700 0.019 0.000 0.990 384 T CA -0.228 61.893 62.100 0.035 0.000 0.897 384 T CB 0.048 68.928 68.868 0.021 0.000 1.111 384 T HN 0.765 nan 8.240 nan 0.000 0.529 385 D N 0.964 121.371 120.400 0.013 0.000 2.388 385 D HA 0.222 4.862 4.640 0.000 0.000 0.221 385 D C 1.702 177.991 176.300 -0.019 0.000 1.133 385 D CA -0.109 53.882 54.000 -0.015 0.000 0.831 385 D CB -0.398 40.387 40.800 -0.025 0.000 0.962 385 D HN 0.380 nan 8.370 nan 0.000 0.502 386 G N 1.146 109.969 108.800 0.039 0.000 2.469 386 G HA2 -0.261 3.700 3.960 0.000 0.000 0.219 386 G HA3 -0.261 3.700 3.960 0.000 0.000 0.219 386 G C 1.629 176.530 174.900 0.002 0.000 1.150 386 G CA 1.181 46.340 45.100 0.099 0.000 0.763 386 G HN 0.461 nan 8.290 nan 0.000 0.561 387 A N 0.986 123.745 122.820 -0.102 0.000 1.930 387 A HA 0.324 4.644 4.320 0.000 0.000 0.217 387 A C 2.793 180.100 177.584 -0.463 0.000 1.175 387 A CA 2.130 53.857 52.037 -0.517 0.000 0.627 387 A CB -0.659 18.141 19.000 -0.334 0.000 0.815 387 A HN 0.768 nan 8.150 nan 0.000 0.443 388 A N -0.579 122.083 122.820 -0.263 0.000 1.930 388 A HA 0.052 4.372 4.320 0.000 0.000 0.217 388 A C 2.201 179.642 177.584 -0.238 0.000 1.175 388 A CA 1.603 53.505 52.037 -0.225 0.000 0.627 388 A CB -0.838 18.078 19.000 -0.140 0.000 0.815 388 A HN 0.348 nan 8.150 nan 0.000 0.443 389 V N -0.073 119.717 119.914 -0.207 0.000 2.295 389 V HA -0.268 3.852 4.120 0.000 0.000 0.246 389 V C 3.052 178.950 176.094 -0.326 0.000 1.049 389 V CA 2.030 64.214 62.300 -0.193 0.000 1.024 389 V CB -1.182 30.571 31.823 -0.115 0.000 0.648 389 V HN 0.610 nan 8.190 nan 0.000 0.447 390 A N -0.163 122.364 122.820 -0.488 0.000 1.898 390 A HA -0.063 4.257 4.320 0.000 0.000 0.216 390 A C 2.433 179.559 177.584 -0.763 0.000 1.181 390 A CA 1.910 53.438 52.037 -0.848 0.000 0.620 390 A CB -0.774 17.559 19.000 -1.112 0.000 0.819 390 A HN 0.565 nan 8.150 nan 0.000 0.442 391 A N -0.029 122.438 122.820 -0.589 0.000 1.908 391 A HA -0.196 4.125 4.320 0.000 0.000 0.218 391 A C 2.191 179.600 177.584 -0.293 0.000 1.181 391 A CA 2.274 54.058 52.037 -0.422 0.000 0.627 391 A CB -0.443 18.355 19.000 -0.337 0.000 0.818 391 A HN 0.466 nan 8.150 nan 0.000 0.445 392 R N 0.154 120.504 120.500 -0.249 0.000 2.075 392 R HA 0.032 4.372 4.340 0.000 0.000 0.232 392 R C 1.854 178.075 176.300 -0.131 0.000 1.126 392 R CA 1.648 57.652 56.100 -0.159 0.000 0.963 392 R CB -0.972 29.253 30.300 -0.125 0.000 0.858 392 R HN 0.502 nan 8.270 nan 0.000 0.435 393 L N 0.209 121.331 121.223 -0.167 0.000 2.083 393 L HA -0.140 4.200 4.340 0.000 0.000 0.209 393 L C 2.213 179.087 176.870 0.007 0.000 1.083 393 L CA 0.806 55.617 54.840 -0.049 0.000 0.752 393 L CB -0.576 41.459 42.059 -0.039 0.000 0.899 393 L HN 0.236 nan 8.230 nan 0.000 0.433 394 L N -0.291 120.855 121.223 -0.127 0.000 2.005 394 L HA -0.187 4.153 4.340 0.000 0.000 0.207 394 L C 2.292 179.094 176.870 -0.113 0.000 1.072 394 L CA 1.758 56.499 54.840 -0.165 0.000 0.744 394 L CB -0.444 41.474 42.059 -0.236 0.000 0.895 394 L HN 0.021 nan 8.230 nan 0.000 0.433 395 L N -0.032 121.134 121.223 -0.096 0.000 2.083 395 L HA -0.213 4.127 4.340 0.000 0.000 0.209 395 L C 2.239 179.104 176.870 -0.009 0.000 1.083 395 L CA 1.632 56.443 54.840 -0.048 0.000 0.752 395 L CB -1.120 40.903 42.059 -0.060 0.000 0.899 395 L HN 0.331 nan 8.230 nan 0.000 0.433 396 D N -0.577 119.820 120.400 -0.005 0.000 2.144 396 D HA -0.140 4.500 4.640 0.000 0.000 0.199 396 D C 2.236 178.571 176.300 0.057 0.000 0.984 396 D CA 1.434 55.447 54.000 0.022 0.000 0.834 396 D CB -0.100 40.714 40.800 0.024 0.000 0.955 396 D HN 0.345 nan 8.370 nan 0.000 0.465 397 A N 0.725 123.597 122.820 0.085 0.000 1.898 397 A HA -0.117 4.204 4.320 0.000 0.000 0.216 397 A C 2.510 180.197 177.584 0.171 0.000 1.181 397 A CA 1.076 53.211 52.037 0.162 0.000 0.620 397 A CB -0.697 18.468 19.000 0.275 0.000 0.819 397 A HN 0.145 nan 8.150 nan 0.000 0.442 398 V N 0.081 120.079 119.914 0.141 0.000 2.515 398 V HA -0.175 3.945 4.120 0.000 0.000 0.250 398 V C 2.540 178.683 176.094 0.083 0.000 1.058 398 V CA 2.130 64.509 62.300 0.133 0.000 1.064 398 V CB -0.609 31.272 31.823 0.097 0.000 0.675 398 V HN 0.534 nan 8.190 nan 0.000 0.461 399 S N -0.549 115.187 115.700 0.060 0.000 2.481 399 S HA -0.040 4.430 4.470 0.000 0.000 0.231 399 S C 1.895 176.522 174.600 0.044 0.000 0.996 399 S CA 0.706 58.931 58.200 0.042 0.000 0.942 399 S CB -0.218 62.999 63.200 0.028 0.000 0.768 399 S HN 0.563 nan 8.310 nan 0.000 0.520 400 R N 0.779 121.313 120.500 0.057 0.000 2.297 400 R HA 0.153 4.493 4.340 0.000 0.000 0.197 400 R C 0.441 176.768 176.300 0.045 0.000 0.943 400 R CA 0.270 56.399 56.100 0.048 0.000 1.038 400 R CB 0.166 30.497 30.300 0.053 0.000 0.957 400 R HN 0.354 nan 8.270 nan 0.000 0.484 401 E N 0.000 120.233 120.200 0.055 0.000 2.725 401 E HA 0.000 4.350 4.350 0.000 0.000 0.291 401 E CA 0.000 56.428 56.400 0.047 0.000 0.976 401 E CB 0.000 29.735 29.700 0.059 0.000 0.812 401 E HN 0.000 nan 8.360 nan 0.000 0.440