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 2wl6_1_C DATA FIRST_RESID 4 DATA SEQUENCE SIVIASAART AVGSFNGAFA NTPAHELGAT VISAVLERAG VAAGEVNEVI DATA SEQUENCE LGQVLPAGEG QNPARQAAMK AGVPQEATAW GMNQLCGSGL RAVALGMQQI DATA SEQUENCE ATGDASIIVA GGMESMSMAP HCAHLRGGVK MGDFKMIDTM IKDGLTDAFY DATA SEQUENCE GYHMGTTAEN VAKQWQLSRD EQDAFAVASQ NKAEAAQKDG RFKDEIVPFI DATA SEQUENCE VKGRKGDITV DADEYIRHGA TLDSMAKLRP AFDKEGTVTA GNASGLNDGA DATA SEQUENCE AAALLMSEAE ASRRGIQPLG RIVSWATVGV DPKVMGTGPI PASRKALERA DATA SEQUENCE GWKIGDLDLV EAHEAFAAQA CAVNKDLGWD PSIVNVNGGA IAIGNPIGAS DATA SEQUENCE GARILNTLLF EMKRRGARKG LATLCIGGGM GVAMCIESL 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.619 174.600 0.031 0.000 1.055 4 S CA 0.000 58.218 58.200 0.029 0.000 1.107 4 S CB 0.000 63.216 63.200 0.027 0.000 0.593 5 I N 4.992 125.584 120.570 0.037 0.000 2.315 5 I HA 0.581 4.752 4.170 0.000 0.000 0.291 5 I C 0.319 176.455 176.117 0.032 0.000 1.006 5 I CA -0.789 60.532 61.300 0.035 0.000 1.265 5 I CB 1.031 39.056 38.000 0.042 0.000 1.387 5 I HN 0.383 nan 8.210 nan 0.000 0.475 6 V N 5.289 125.216 119.914 0.022 0.000 2.850 6 V HA 0.594 4.715 4.120 0.000 0.000 0.315 6 V C 0.006 176.103 176.094 0.005 0.000 1.064 6 V CA -0.899 61.411 62.300 0.016 0.000 0.979 6 V CB 2.506 34.336 31.823 0.012 0.000 1.039 6 V HN 0.454 nan 8.190 nan 0.000 0.452 7 I N 3.070 123.637 120.570 -0.005 0.000 2.281 7 I HA 0.369 4.539 4.170 0.000 0.000 0.293 7 I C 1.530 177.630 176.117 -0.028 0.000 1.085 7 I CA -0.033 61.255 61.300 -0.020 0.000 1.257 7 I CB 1.215 39.195 38.000 -0.034 0.000 1.430 7 I HN 0.964 nan 8.210 nan 0.000 0.489 8 A N 5.305 128.114 122.820 -0.018 0.000 1.851 8 A HA -0.095 4.225 4.320 0.000 0.000 0.216 8 A C 1.050 178.620 177.584 -0.023 0.000 1.195 8 A CA 1.681 53.709 52.037 -0.015 0.000 0.622 8 A CB -0.185 18.812 19.000 -0.004 0.000 0.831 8 A HN 0.684 nan 8.150 nan 0.000 0.444 9 S N -3.106 112.585 115.700 -0.015 0.000 2.595 9 S HA 0.797 5.267 4.470 0.000 0.000 0.281 9 S C -0.671 173.940 174.600 0.018 0.000 1.117 9 S CA -0.171 58.033 58.200 0.006 0.000 0.873 9 S CB 1.802 65.023 63.200 0.034 0.000 1.108 9 S HN 1.579 nan 8.310 nan 0.000 0.477 10 A N 0.305 123.179 122.820 0.090 0.000 2.520 10 A HA 1.006 5.326 4.320 0.000 0.000 0.298 10 A C -0.641 177.138 177.584 0.326 0.000 1.051 10 A CA -0.447 51.687 52.037 0.162 0.000 0.690 10 A CB 1.292 20.337 19.000 0.075 0.000 1.281 10 A HN 2.204 nan 8.150 nan 0.000 0.402 11 A N 1.484 124.426 122.820 0.203 0.000 2.594 11 A HA 0.877 5.197 4.320 0.000 0.000 0.296 11 A C -0.695 176.930 177.584 0.068 0.000 1.061 11 A CA -0.299 51.819 52.037 0.135 0.000 0.689 11 A CB 1.250 20.303 19.000 0.087 0.000 1.280 11 A HN 1.941 nan 8.150 nan 0.000 0.406 12 R N -0.339 120.181 120.500 0.032 0.000 2.774 12 R HA 0.820 5.160 4.340 0.000 0.000 0.272 12 R C -0.093 176.205 176.300 -0.004 0.000 1.000 12 R CA -0.008 56.093 56.100 0.003 0.000 0.906 12 R CB 1.197 31.495 30.300 -0.003 0.000 1.227 12 R HN 0.992 nan 8.270 nan 0.000 0.468 13 T N -0.893 113.649 114.554 -0.019 0.000 2.788 13 T HA 0.590 4.940 4.350 0.000 0.000 0.280 13 T C 0.642 175.360 174.700 0.030 0.000 0.984 13 T CA -0.370 61.733 62.100 0.005 0.000 0.972 13 T CB 0.927 69.744 68.868 -0.085 0.000 1.039 13 T HN 0.780 nan 8.240 nan 0.000 0.530 14 A N 0.788 123.667 122.820 0.098 0.000 2.407 14 A HA 0.535 4.855 4.320 0.000 0.000 0.248 14 A C 0.208 177.872 177.584 0.134 0.000 1.082 14 A CA -0.727 51.363 52.037 0.088 0.000 0.785 14 A CB -0.034 19.036 19.000 0.117 0.000 1.020 14 A HN 0.819 nan 8.150 nan 0.000 0.489 15 V N 2.266 122.208 119.914 0.047 0.000 2.432 15 V HA 0.493 4.613 4.120 0.000 0.000 0.271 15 V C 1.069 177.178 176.094 0.025 0.000 1.046 15 V CA 0.286 62.614 62.300 0.047 0.000 0.945 15 V CB 0.926 32.735 31.823 -0.023 0.000 0.992 15 V HN 1.078 nan 8.190 nan 0.000 0.471 16 G N 3.119 111.938 108.800 0.031 0.000 2.389 16 G HA2 0.449 4.409 3.960 0.000 0.000 0.317 16 G HA3 0.449 4.409 3.960 0.000 0.000 0.317 16 G C -0.014 174.846 174.900 -0.067 0.000 1.137 16 G CA -0.300 44.714 45.100 -0.143 0.000 0.870 16 G HN 0.622 nan 8.290 nan 0.000 0.496 17 S N -0.312 115.358 115.700 -0.049 0.000 2.580 17 S HA 0.162 4.632 4.470 0.000 0.000 0.266 17 S C 0.006 174.662 174.600 0.095 0.000 1.354 17 S CA -0.348 57.869 58.200 0.029 0.000 1.008 17 S CB 0.159 63.416 63.200 0.095 0.000 0.898 17 S HN 0.384 nan 8.310 nan 0.000 0.555 18 F N 3.579 123.490 119.950 -0.065 0.000 2.541 18 F HA 0.155 4.682 4.527 0.000 0.000 0.378 18 F C 1.168 176.962 175.800 -0.010 0.000 1.068 18 F CA -0.371 57.607 58.000 -0.037 0.000 1.199 18 F CB -0.910 38.075 39.000 -0.024 0.000 1.091 18 F HN 0.683 nan 8.300 nan 0.000 0.555 19 N N 2.270 120.858 118.700 -0.186 0.000 2.828 19 N HA -0.188 4.552 4.740 0.000 0.000 0.248 19 N C 0.559 176.000 175.510 -0.114 0.000 1.044 19 N CA 0.968 53.857 53.050 -0.268 0.000 0.851 19 N CB -1.457 36.751 38.487 -0.465 0.000 1.136 19 N HN 0.765 nan 8.380 nan 0.000 0.572 20 G N -0.054 108.710 108.800 -0.059 0.000 2.928 20 G HA2 0.528 4.488 3.960 0.000 0.000 0.163 20 G HA3 0.528 4.488 3.960 0.000 0.000 0.163 20 G C 1.305 176.125 174.900 -0.133 0.000 1.573 20 G CA 0.783 45.833 45.100 -0.084 0.000 1.084 20 G HN 0.300 nan 8.290 nan 0.000 0.569 21 A N -0.719 121.938 122.820 -0.272 0.000 1.954 21 A HA -0.115 4.205 4.320 0.000 0.000 0.222 21 A C 1.673 179.120 177.584 -0.228 0.000 1.199 21 A CA 2.150 53.947 52.037 -0.399 0.000 0.657 21 A CB -0.586 17.913 19.000 -0.835 0.000 0.823 21 A HN 0.416 nan 8.150 nan 0.000 0.463 22 F N -1.175 118.764 119.950 -0.018 0.000 2.668 22 F HA 0.520 5.047 4.527 0.000 0.000 0.301 22 F C 2.036 177.819 175.800 -0.028 0.000 1.106 22 F CA -0.833 57.140 58.000 -0.045 0.000 1.289 22 F CB -1.000 37.922 39.000 -0.130 0.000 1.006 22 F HN 0.240 nan 8.300 nan 0.000 0.535 23 A N 0.733 123.618 122.820 0.107 0.000 1.954 23 A HA -0.269 4.052 4.320 0.000 0.000 0.222 23 A C 1.986 179.608 177.584 0.062 0.000 1.199 23 A CA 2.310 54.377 52.037 0.049 0.000 0.657 23 A CB -0.462 18.530 19.000 -0.014 0.000 0.823 23 A HN 0.395 nan 8.150 nan 0.000 0.463 24 N N -1.087 117.660 118.700 0.079 0.000 2.204 24 N HA 0.062 4.803 4.740 0.000 0.000 0.219 24 N C -0.675 174.879 175.510 0.073 0.000 1.151 24 N CA 0.183 53.273 53.050 0.067 0.000 0.867 24 N CB 0.573 39.094 38.487 0.057 0.000 1.043 24 N HN 0.278 nan 8.380 nan 0.000 0.516 25 T N 3.306 117.911 114.554 0.085 0.000 2.729 25 T HA 0.285 4.635 4.350 0.000 0.000 0.296 25 T C -2.478 172.191 174.700 -0.052 0.000 0.928 25 T CA -1.136 60.978 62.100 0.023 0.000 1.045 25 T CB 1.622 70.469 68.868 -0.035 0.000 0.902 25 T HN 0.002 nan 8.240 nan 0.000 0.500 26 P HA 0.225 nan 4.420 nan 0.000 0.271 26 P C 0.598 177.808 177.300 -0.149 0.000 1.216 26 P CA -0.286 62.778 63.100 -0.060 0.000 0.776 26 P CB 0.560 32.236 31.700 -0.040 0.000 0.881 27 A N 4.046 126.831 122.820 -0.057 0.000 1.859 27 A HA -0.268 4.052 4.320 0.000 0.000 0.217 27 A C 1.982 179.505 177.584 -0.102 0.000 1.198 27 A CA 2.072 54.059 52.037 -0.083 0.000 0.629 27 A CB -2.052 16.937 19.000 -0.019 0.000 0.830 27 A HN 0.814 nan 8.150 nan 0.000 0.446 28 H N -0.502 118.538 119.070 -0.049 0.000 2.518 28 H HA -0.093 4.464 4.556 0.000 0.000 0.294 28 H C 1.487 176.806 175.328 -0.015 0.000 1.083 28 H CA 1.537 57.564 56.048 -0.034 0.000 1.264 28 H CB -0.379 29.373 29.762 -0.018 0.000 1.370 28 H HN 0.679 nan 8.280 nan 0.000 0.560 29 E N 0.856 120.704 120.200 -0.587 0.000 2.051 29 E HA -0.027 4.323 4.350 0.000 0.000 0.189 29 E C 2.661 179.228 176.600 -0.056 0.000 0.979 29 E CA 0.794 57.011 56.400 -0.306 0.000 0.803 29 E CB 0.119 29.682 29.700 -0.229 0.000 0.761 29 E HN 0.444 nan 8.360 nan 0.000 0.451 30 L N 0.537 121.593 121.223 -0.278 0.000 2.131 30 L HA -0.103 4.237 4.340 0.000 0.000 0.210 30 L C 2.536 179.323 176.870 -0.138 0.000 1.092 30 L CA 1.071 55.684 54.840 -0.378 0.000 0.759 30 L CB -0.772 40.918 42.059 -0.614 0.000 0.903 30 L HN 0.209 nan 8.230 nan 0.000 0.435 31 G N 0.033 108.771 108.800 -0.103 0.000 2.453 31 G HA2 -0.265 3.696 3.960 0.000 0.000 0.215 31 G HA3 -0.265 3.696 3.960 0.000 0.000 0.215 31 G C 1.810 176.706 174.900 -0.008 0.000 1.201 31 G CA 0.946 46.019 45.100 -0.046 0.000 0.784 31 G HN 0.443 nan 8.290 nan 0.000 0.545 32 A N 0.289 123.118 122.820 0.016 0.000 1.869 32 A HA -0.179 4.142 4.320 0.000 0.000 0.218 32 A C 2.503 180.107 177.584 0.032 0.000 1.203 32 A CA 2.987 55.042 52.037 0.031 0.000 0.638 32 A CB -1.438 17.585 19.000 0.039 0.000 0.831 32 A HN 0.331 nan 8.150 nan 0.000 0.450 33 T N -0.421 114.175 114.554 0.070 0.000 2.649 33 T HA -0.191 4.160 4.350 0.000 0.000 0.268 33 T C 1.796 176.524 174.700 0.047 0.000 1.036 33 T CA 2.034 64.181 62.100 0.078 0.000 1.157 33 T CB -0.546 68.463 68.868 0.235 0.000 0.861 33 T HN 0.212 nan 8.240 nan 0.000 0.445 34 V N 0.750 120.684 119.914 0.034 0.000 2.871 34 V HA -0.000 4.120 4.120 0.000 0.000 0.256 34 V C 2.259 178.360 176.094 0.010 0.000 1.082 34 V CA 0.869 63.180 62.300 0.018 0.000 1.105 34 V CB -0.621 31.202 31.823 -0.000 0.000 0.713 34 V HN 0.492 nan 8.190 nan 0.000 0.473 35 I N 0.236 120.809 120.570 0.004 0.000 2.179 35 I HA -0.203 3.967 4.170 0.000 0.000 0.242 35 I C 2.531 178.651 176.117 0.006 0.000 1.088 35 I CA 1.589 62.889 61.300 -0.001 0.000 1.357 35 I CB -0.291 37.706 38.000 -0.004 0.000 1.051 35 I HN 0.265 nan 8.210 nan 0.000 0.409 36 S N 0.724 116.429 115.700 0.009 0.000 2.383 36 S HA -0.097 4.373 4.470 0.000 0.000 0.227 36 S C 2.237 176.845 174.600 0.014 0.000 1.026 36 S CA 1.076 59.281 58.200 0.008 0.000 0.981 36 S CB -0.310 62.892 63.200 0.003 0.000 0.818 36 S HN 0.521 nan 8.310 nan 0.000 0.472 37 A N 1.840 124.672 122.820 0.019 0.000 1.851 37 A HA -0.119 4.202 4.320 0.000 0.000 0.216 37 A C 2.479 180.085 177.584 0.038 0.000 1.195 37 A CA 2.083 54.136 52.037 0.028 0.000 0.622 37 A CB -1.244 17.776 19.000 0.033 0.000 0.831 37 A HN 0.596 nan 8.150 nan 0.000 0.444 38 V N -2.641 117.295 119.914 0.036 0.000 2.626 38 V HA -0.121 3.999 4.120 0.000 0.000 0.252 38 V C 2.136 178.245 176.094 0.026 0.000 1.067 38 V CA 1.456 63.779 62.300 0.039 0.000 1.081 38 V CB -0.947 30.894 31.823 0.030 0.000 0.686 38 V HN 0.280 nan 8.190 nan 0.000 0.468 39 L N 1.360 122.593 121.223 0.018 0.000 1.955 39 L HA -0.162 4.179 4.340 0.000 0.000 0.213 39 L C 2.906 179.787 176.870 0.018 0.000 1.072 39 L CA 2.762 57.610 54.840 0.014 0.000 0.755 39 L CB -1.575 40.489 42.059 0.009 0.000 0.888 39 L HN 0.685 nan 8.230 nan 0.000 0.432 40 E N 0.115 120.326 120.200 0.019 0.000 2.150 40 E HA -0.219 4.131 4.350 0.000 0.000 0.193 40 E C 2.137 178.754 176.600 0.028 0.000 0.985 40 E CA 0.981 57.393 56.400 0.020 0.000 0.814 40 E CB -0.003 29.706 29.700 0.016 0.000 0.752 40 E HN 0.462 nan 8.360 nan 0.000 0.466 41 R N -0.019 120.504 120.500 0.039 0.000 2.193 41 R HA 0.085 4.425 4.340 0.000 0.000 0.213 41 R C 2.200 178.527 176.300 0.044 0.000 1.055 41 R CA 0.913 57.044 56.100 0.053 0.000 0.995 41 R CB -0.058 30.293 30.300 0.086 0.000 0.893 41 R HN 0.155 nan 8.270 nan 0.000 0.459 42 A N 0.104 122.943 122.820 0.032 0.000 2.178 42 A HA 0.235 4.556 4.320 0.000 0.000 0.211 42 A C 1.471 179.065 177.584 0.018 0.000 1.157 42 A CA 0.669 52.719 52.037 0.022 0.000 0.780 42 A CB -0.005 19.004 19.000 0.016 0.000 0.828 42 A HN 0.388 nan 8.150 nan 0.000 0.476 43 G N -1.311 107.500 108.800 0.019 0.000 2.143 43 G HA2 -0.187 3.773 3.960 0.000 0.000 0.248 43 G HA3 -0.187 3.773 3.960 0.000 0.000 0.248 43 G C 0.146 175.054 174.900 0.012 0.000 0.991 43 G CA 0.325 45.435 45.100 0.016 0.000 0.689 43 G HN 0.761 nan 8.290 nan 0.000 0.522 44 V N 0.414 120.335 119.914 0.012 0.000 2.612 44 V HA 0.799 4.920 4.120 0.000 0.000 0.301 44 V C 0.748 176.847 176.094 0.009 0.000 1.046 44 V CA -0.186 62.120 62.300 0.010 0.000 0.946 44 V CB 1.821 33.650 31.823 0.009 0.000 1.003 44 V HN 1.083 nan 8.190 nan 0.000 0.459 45 A N 3.072 125.897 122.820 0.008 0.000 2.274 45 A HA 0.689 5.009 4.320 0.000 0.000 0.309 45 A C 1.292 178.880 177.584 0.007 0.000 1.226 45 A CA 0.156 52.198 52.037 0.007 0.000 0.853 45 A CB 1.011 20.015 19.000 0.007 0.000 1.146 45 A HN 1.357 nan 8.150 nan 0.000 0.518 46 A N 2.937 125.760 122.820 0.006 0.000 2.009 46 A HA -0.114 4.206 4.320 0.000 0.000 0.222 46 A C 2.282 179.870 177.584 0.007 0.000 1.175 46 A CA 2.698 54.739 52.037 0.006 0.000 0.651 46 A CB -1.278 17.725 19.000 0.006 0.000 0.815 46 A HN 1.661 nan 8.150 nan 0.000 0.459 47 G N -0.171 108.634 108.800 0.007 0.000 2.547 47 G HA2 -0.304 3.656 3.960 0.000 0.000 0.221 47 G HA3 -0.304 3.656 3.960 0.000 0.000 0.221 47 G C 1.228 176.134 174.900 0.009 0.000 1.140 47 G CA 1.255 46.360 45.100 0.008 0.000 0.760 47 G HN 0.761 nan 8.290 nan 0.000 0.583 48 E N -0.571 119.635 120.200 0.009 0.000 2.474 48 E HA 0.276 4.627 4.350 0.000 0.000 0.195 48 E C 0.171 176.777 176.600 0.011 0.000 1.039 48 E CA -0.496 55.910 56.400 0.010 0.000 0.881 48 E CB 0.811 30.517 29.700 0.010 0.000 0.970 48 E HN 0.181 nan 8.360 nan 0.000 0.486 49 V N 2.327 122.248 119.914 0.010 0.000 2.572 49 V HA -0.043 4.077 4.120 0.000 0.000 0.291 49 V C 0.819 176.922 176.094 0.016 0.000 1.039 49 V CA 0.417 62.722 62.300 0.010 0.000 1.055 49 V CB 0.970 32.796 31.823 0.004 0.000 0.969 49 V HN 0.256 nan 8.190 nan 0.000 0.482 50 N N 3.327 122.039 118.700 0.021 0.000 2.251 50 N HA 0.069 4.809 4.740 0.000 0.000 0.181 50 N C 0.324 175.861 175.510 0.046 0.000 1.019 50 N CA 0.442 53.512 53.050 0.033 0.000 0.862 50 N CB 0.427 38.936 38.487 0.037 0.000 0.992 50 N HN 0.770 nan 8.380 nan 0.000 0.429 51 E N -0.132 120.091 120.200 0.039 0.000 2.363 51 E HA 0.286 4.637 4.350 0.000 0.000 0.281 51 E C -1.904 174.680 176.600 -0.025 0.000 0.953 51 E CA -0.444 55.986 56.400 0.049 0.000 0.778 51 E CB 2.036 31.819 29.700 0.140 0.000 1.220 51 E HN -0.260 nan 8.360 nan 0.000 0.431 52 V N 5.232 125.104 119.914 -0.070 0.000 2.347 52 V HA 0.417 4.537 4.120 0.000 0.000 0.280 52 V C -0.194 175.692 176.094 -0.347 0.000 1.021 52 V CA -0.450 61.759 62.300 -0.151 0.000 0.847 52 V CB 1.021 32.787 31.823 -0.096 0.000 0.990 52 V HN 0.522 nan 8.190 nan 0.000 0.444 53 I N 6.639 126.941 120.570 -0.447 0.000 2.359 53 I HA 0.444 4.614 4.170 0.000 0.000 0.284 53 I C -0.640 175.180 176.117 -0.494 0.000 1.018 53 I CA -0.256 60.573 61.300 -0.784 0.000 1.173 53 I CB 1.100 38.521 38.000 -0.965 0.000 1.326 53 I HN 0.338 nan 8.210 nan 0.000 0.462 54 L N 5.624 126.598 121.223 -0.415 0.000 2.305 54 L HA 0.538 4.879 4.340 0.000 0.000 0.284 54 L C 0.775 177.523 176.870 -0.205 0.000 1.013 54 L CA -0.583 54.111 54.840 -0.244 0.000 0.819 54 L CB 1.781 43.746 42.059 -0.156 0.000 1.227 54 L HN 0.653 nan 8.230 nan 0.000 0.417 55 G N 2.452 111.151 108.800 -0.168 0.000 2.365 55 G HA2 0.315 4.276 3.960 0.000 0.000 0.249 55 G HA3 0.315 4.276 3.960 0.000 0.000 0.249 55 G C -0.683 174.169 174.900 -0.079 0.000 1.288 55 G CA -0.012 45.022 45.100 -0.110 0.000 0.887 55 G HN 0.639 nan 8.290 nan 0.000 0.524 56 Q N 1.862 121.632 119.800 -0.050 0.000 2.289 56 Q HA 0.421 4.762 4.340 0.000 0.000 0.270 56 Q C -0.421 175.567 176.000 -0.020 0.000 1.038 56 Q CA -0.850 54.932 55.803 -0.035 0.000 0.812 56 Q CB 2.191 30.915 28.738 -0.024 0.000 1.300 56 Q HN 0.247 nan 8.270 nan 0.000 0.427 57 V N 3.674 123.576 119.914 -0.021 0.000 2.575 57 V HA 0.105 4.225 4.120 0.000 0.000 0.242 57 V C 0.537 176.626 176.094 -0.009 0.000 1.045 57 V CA 0.696 62.988 62.300 -0.013 0.000 1.065 57 V CB 0.253 32.066 31.823 -0.017 0.000 0.717 57 V HN 0.701 nan 8.190 nan 0.000 0.467 58 L N 2.558 123.774 121.223 -0.011 0.000 2.426 58 L HA 0.338 4.679 4.340 0.000 0.000 0.255 58 L C -1.923 174.949 176.870 0.003 0.000 1.080 58 L CA -0.739 54.097 54.840 -0.006 0.000 0.960 58 L CB 1.346 43.399 42.059 -0.011 0.000 1.326 58 L HN 0.209 nan 8.230 nan 0.000 0.441 59 P HA 0.141 nan 4.420 nan 0.000 0.275 59 P C 0.354 177.663 177.300 0.014 0.000 1.310 59 P CA -0.037 63.070 63.100 0.011 0.000 0.904 59 P CB 0.698 32.403 31.700 0.008 0.000 1.381 60 A N 0.762 123.590 122.820 0.013 0.000 2.515 60 A HA 0.471 4.791 4.320 0.000 0.000 0.263 60 A C 1.502 179.102 177.584 0.026 0.000 1.096 60 A CA 0.860 52.907 52.037 0.017 0.000 0.769 60 A CB -1.136 17.873 19.000 0.015 0.000 1.040 60 A HN 0.367 nan 8.150 nan 0.000 0.505 61 G N 1.681 110.496 108.800 0.025 0.000 2.213 61 G HA2 -0.225 3.736 3.960 0.000 0.000 0.226 61 G HA3 -0.225 3.736 3.960 0.000 0.000 0.226 61 G C 0.641 175.559 174.900 0.030 0.000 0.992 61 G CA 0.463 45.582 45.100 0.031 0.000 0.632 61 G HN 0.777 nan 8.290 nan 0.000 0.511 62 E N 0.988 121.204 120.200 0.027 0.000 2.463 62 E HA 0.408 4.759 4.350 0.000 0.000 0.191 62 E C 1.574 178.161 176.600 -0.021 0.000 1.083 62 E CA 0.883 57.298 56.400 0.026 0.000 0.872 62 E CB -0.468 29.259 29.700 0.045 0.000 0.966 62 E HN 1.538 nan 8.360 nan 0.000 0.491 63 G N 0.906 109.697 108.800 -0.014 0.000 2.698 63 G HA2 -0.328 3.632 3.960 0.000 0.000 0.233 63 G HA3 -0.328 3.632 3.960 0.000 0.000 0.233 63 G C -0.494 174.383 174.900 -0.038 0.000 1.352 63 G CA -0.482 44.601 45.100 -0.029 0.000 0.879 63 G HN 0.344 nan 8.290 nan 0.000 0.567 64 Q N 0.459 120.233 119.800 -0.043 0.000 2.289 64 Q HA 0.260 4.601 4.340 0.000 0.000 0.273 64 Q C 0.920 176.893 176.000 -0.045 0.000 1.029 64 Q CA 0.409 56.192 55.803 -0.034 0.000 0.896 64 Q CB 0.311 29.033 28.738 -0.026 0.000 1.182 64 Q HN 0.818 nan 8.270 nan 0.000 0.385 65 N N 3.276 121.963 118.700 -0.021 0.000 2.629 65 N HA -0.156 4.584 4.740 0.000 0.000 0.278 65 N C -2.364 173.125 175.510 -0.034 0.000 1.102 65 N CA -0.005 53.039 53.050 -0.008 0.000 0.759 65 N CB -0.180 38.312 38.487 0.010 0.000 0.911 65 N HN 0.415 nan 8.380 nan 0.000 0.553 66 P HA -0.039 nan 4.420 nan 0.000 0.231 66 P C 0.950 178.238 177.300 -0.020 0.000 1.158 66 P CA 1.407 64.471 63.100 -0.061 0.000 0.763 66 P CB 0.076 31.769 31.700 -0.012 0.000 0.805 67 A N 0.144 122.953 122.820 -0.018 0.000 1.872 67 A HA -0.159 4.161 4.320 0.000 0.000 0.214 67 A C 2.381 179.956 177.584 -0.016 0.000 1.187 67 A CA 1.427 53.447 52.037 -0.028 0.000 0.614 67 A CB -0.937 18.037 19.000 -0.045 0.000 0.826 67 A HN -0.006 nan 8.150 nan 0.000 0.442 68 R N 0.159 120.653 120.500 -0.009 0.000 2.152 68 R HA -0.101 4.239 4.340 0.000 0.000 0.232 68 R C 2.130 178.418 176.300 -0.019 0.000 1.117 68 R CA 1.989 58.086 56.100 -0.004 0.000 0.981 68 R CB -0.553 29.749 30.300 0.003 0.000 0.870 68 R HN 0.717 nan 8.270 nan 0.000 0.451 69 Q N -1.027 118.738 119.800 -0.059 0.000 2.020 69 Q HA 0.030 4.371 4.340 0.000 0.000 0.198 69 Q C 2.115 178.153 176.000 0.064 0.000 0.974 69 Q CA 1.420 57.173 55.803 -0.082 0.000 0.829 69 Q CB -0.193 28.313 28.738 -0.386 0.000 0.894 69 Q HN 0.429 nan 8.270 nan 0.000 0.433 70 A N 1.127 124.015 122.820 0.113 0.000 1.978 70 A HA -0.155 4.165 4.320 0.000 0.000 0.220 70 A C 2.207 179.829 177.584 0.065 0.000 1.170 70 A CA 1.704 53.826 52.037 0.142 0.000 0.636 70 A CB -0.654 18.408 19.000 0.103 0.000 0.810 70 A HN 0.399 nan 8.150 nan 0.000 0.448 71 A N -0.823 122.016 122.820 0.032 0.000 1.854 71 A HA -0.005 4.315 4.320 0.000 0.000 0.214 71 A C 2.155 179.752 177.584 0.021 0.000 1.192 71 A CA 1.634 53.680 52.037 0.015 0.000 0.611 71 A CB -0.480 18.521 19.000 0.001 0.000 0.832 71 A HN 0.395 nan 8.150 nan 0.000 0.442 72 M N -0.381 119.232 119.600 0.022 0.000 2.202 72 M HA -0.149 4.332 4.480 0.000 0.000 0.262 72 M C 2.048 178.364 176.300 0.028 0.000 1.063 72 M CA 1.953 57.265 55.300 0.021 0.000 1.097 72 M CB -0.903 31.705 32.600 0.015 0.000 1.382 72 M HN 0.502 nan 8.290 nan 0.000 0.413 73 K N 1.182 121.610 120.400 0.046 0.000 2.001 73 K HA 0.004 4.324 4.320 0.000 0.000 0.208 73 K C 1.698 178.315 176.600 0.029 0.000 1.048 73 K CA 1.792 58.109 56.287 0.051 0.000 0.932 73 K CB -0.480 32.076 32.500 0.093 0.000 0.715 73 K HN 0.179 nan 8.250 nan 0.000 0.437 74 A N -0.761 122.075 122.820 0.028 0.000 2.264 74 A HA 0.226 4.547 4.320 0.000 0.000 0.207 74 A C 1.436 179.026 177.584 0.009 0.000 1.196 74 A CA 1.124 53.170 52.037 0.014 0.000 0.778 74 A CB -0.899 18.109 19.000 0.014 0.000 0.779 74 A HN 0.689 nan 8.150 nan 0.000 0.483 75 G N -2.090 106.717 108.800 0.011 0.000 2.259 75 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 75 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 75 G C 0.281 175.186 174.900 0.009 0.000 1.001 75 G CA -0.179 44.926 45.100 0.008 0.000 0.627 75 G HN 0.872 nan 8.290 nan 0.000 0.501 76 V N 4.247 124.167 119.914 0.009 0.000 2.625 76 V HA 0.232 4.352 4.120 0.000 0.000 0.305 76 V C -0.690 175.411 176.094 0.011 0.000 1.055 76 V CA 0.222 62.527 62.300 0.009 0.000 1.209 76 V CB 0.254 32.082 31.823 0.008 0.000 0.877 76 V HN 0.424 nan 8.190 nan 0.000 0.489 77 P HA 0.126 nan 4.420 nan 0.000 0.274 77 P C 0.592 177.900 177.300 0.013 0.000 1.256 77 P CA -0.535 62.572 63.100 0.011 0.000 0.795 77 P CB 0.571 32.277 31.700 0.010 0.000 1.038 78 Q N 0.150 119.957 119.800 0.012 0.000 2.234 78 Q HA -0.205 4.135 4.340 0.000 0.000 0.206 78 Q C 0.992 177.001 176.000 0.016 0.000 0.980 78 Q CA 1.668 57.479 55.803 0.013 0.000 0.869 78 Q CB -0.665 28.079 28.738 0.011 0.000 0.912 78 Q HN 0.372 nan 8.270 nan 0.000 0.436 79 E N 1.266 121.475 120.200 0.015 0.000 2.418 79 E HA 0.098 4.449 4.350 0.000 0.000 0.197 79 E C 0.445 177.059 176.600 0.023 0.000 1.026 79 E CA 0.681 57.092 56.400 0.017 0.000 0.862 79 E CB 0.011 29.719 29.700 0.014 0.000 0.799 79 E HN 0.513 nan 8.360 nan 0.000 0.518 80 A N 0.432 123.267 122.820 0.025 0.000 2.267 80 A HA 0.497 4.818 4.320 0.000 0.000 0.271 80 A C 0.633 178.244 177.584 0.045 0.000 1.131 80 A CA 0.038 52.095 52.037 0.033 0.000 0.818 80 A CB 0.249 19.265 19.000 0.027 0.000 1.118 80 A HN 0.195 nan 8.150 nan 0.000 0.501 81 T N -3.283 111.312 114.554 0.068 0.000 2.907 81 T HA 0.795 5.145 4.350 0.000 0.000 0.290 81 T C -0.605 174.167 174.700 0.121 0.000 1.066 81 T CA -0.124 62.035 62.100 0.100 0.000 1.012 81 T CB 1.767 70.712 68.868 0.128 0.000 1.184 81 T HN 1.989 nan 8.240 nan 0.000 0.522 82 A N 1.531 124.449 122.820 0.163 0.000 2.465 82 A HA 0.713 5.033 4.320 0.000 0.000 0.292 82 A C -1.540 176.189 177.584 0.242 0.000 1.041 82 A CA -0.995 51.111 52.037 0.116 0.000 0.718 82 A CB 1.213 20.237 19.000 0.041 0.000 1.266 82 A HN 1.056 nan 8.150 nan 0.000 0.403 83 W N 2.106 123.395 121.300 -0.018 0.000 3.274 83 W HA 0.692 5.352 4.660 0.000 0.000 0.327 83 W C -0.290 176.215 176.519 -0.023 0.000 1.172 83 W CA -0.935 56.397 57.345 -0.021 0.000 1.217 83 W CB 0.860 30.307 29.460 -0.021 0.000 1.376 83 W HN 1.058 nan 8.180 nan 0.000 0.507 84 G N 2.407 111.263 108.800 0.093 0.000 2.502 84 G HA2 0.788 4.748 3.960 0.000 0.000 0.305 84 G HA3 0.788 4.748 3.960 0.000 0.000 0.305 84 G C -0.925 174.038 174.900 0.104 0.000 1.190 84 G CA -0.802 44.285 45.100 -0.021 0.000 0.933 84 G HN 0.642 nan 8.290 nan 0.000 0.503 85 M N -1.117 118.499 119.600 0.026 0.000 2.773 85 M HA 0.622 5.102 4.480 0.000 0.000 0.270 85 M C -1.487 174.831 176.300 0.029 0.000 1.238 85 M CA -1.201 54.155 55.300 0.094 0.000 0.832 85 M CB 2.016 34.720 32.600 0.173 0.000 1.672 85 M HN 0.405 nan 8.290 nan 0.000 0.480 86 N N 0.262 118.988 118.700 0.042 0.000 2.454 86 N HA 0.430 5.170 4.740 0.000 0.000 0.291 86 N C -1.766 173.759 175.510 0.025 0.000 1.079 86 N CA -0.150 52.913 53.050 0.021 0.000 0.893 86 N CB 2.100 40.600 38.487 0.023 0.000 1.512 86 N HN 0.900 nan 8.380 nan 0.000 0.497 87 Q N 4.318 124.125 119.800 0.012 0.000 2.106 87 Q HA 0.354 4.695 4.340 0.000 0.000 0.273 87 Q C 0.023 176.037 176.000 0.023 0.000 0.853 87 Q CA -0.307 55.510 55.803 0.022 0.000 1.118 87 Q CB 0.118 28.866 28.738 0.017 0.000 1.240 87 Q HN 0.823 nan 8.270 nan 0.000 0.445 88 L N -2.055 119.179 121.223 0.018 0.000 7.010 88 L HA -0.519 3.822 4.340 0.000 0.000 0.053 88 L C 1.402 178.268 176.870 -0.007 0.000 1.604 88 L CA 1.178 56.027 54.840 0.015 0.000 1.640 88 L CB -1.364 40.720 42.059 0.041 0.000 2.749 88 L HN 0.363 nan 8.230 nan 0.000 1.088 89 C N 0.241 119.540 119.300 -0.003 0.000 2.398 89 C HA -0.179 4.282 4.460 0.000 0.000 0.279 89 C C 2.427 177.372 174.990 -0.076 0.000 1.250 89 C CA 1.245 60.230 59.018 -0.055 0.000 1.786 89 C CB -1.895 25.824 27.740 -0.034 0.000 2.018 89 C HN 0.897 nan 8.230 nan 0.000 0.494 90 G N 0.288 109.070 108.800 -0.030 0.000 2.443 90 G HA2 -0.127 3.833 3.960 0.000 0.000 0.219 90 G HA3 -0.127 3.833 3.960 0.000 0.000 0.219 90 G C 1.616 176.486 174.900 -0.050 0.000 1.131 90 G CA 1.040 46.123 45.100 -0.029 0.000 0.775 90 G HN 0.583 nan 8.290 nan 0.000 0.547 91 S N 1.102 116.773 115.700 -0.048 0.000 2.380 91 S HA -0.224 4.246 4.470 0.000 0.000 0.229 91 S C 2.543 177.090 174.600 -0.087 0.000 1.050 91 S CA 1.565 59.730 58.200 -0.060 0.000 1.100 91 S CB -1.082 62.086 63.200 -0.052 0.000 0.984 91 S HN 0.559 nan 8.310 nan 0.000 0.434 92 G N 1.186 109.931 108.800 -0.092 0.000 2.505 92 G HA2 -0.223 3.737 3.960 0.000 0.000 0.220 92 G HA3 -0.223 3.737 3.960 0.000 0.000 0.220 92 G C 1.384 176.225 174.900 -0.099 0.000 1.145 92 G CA 1.343 46.383 45.100 -0.100 0.000 0.761 92 G HN 0.409 nan 8.290 nan 0.000 0.571 93 L N -0.043 121.126 121.223 -0.090 0.000 2.202 93 L HA 0.360 4.701 4.340 0.000 0.000 0.205 93 L C 2.637 179.437 176.870 -0.117 0.000 1.083 93 L CA 1.336 56.127 54.840 -0.082 0.000 0.790 93 L CB -0.474 41.556 42.059 -0.048 0.000 0.942 93 L HN 0.191 nan 8.230 nan 0.000 0.452 94 R N 0.272 120.697 120.500 -0.125 0.000 2.127 94 R HA -0.089 4.251 4.340 0.000 0.000 0.238 94 R C 2.112 178.277 176.300 -0.226 0.000 1.134 94 R CA 1.569 57.553 56.100 -0.194 0.000 0.975 94 R CB -0.668 29.548 30.300 -0.141 0.000 0.865 94 R HN 0.440 nan 8.270 nan 0.000 0.447 95 A N -0.088 122.623 122.820 -0.182 0.000 1.873 95 A HA -0.158 4.162 4.320 0.000 0.000 0.218 95 A C 2.272 179.733 177.584 -0.206 0.000 1.193 95 A CA 2.036 53.944 52.037 -0.215 0.000 0.629 95 A CB -0.920 17.942 19.000 -0.230 0.000 0.826 95 A HN 0.196 nan 8.150 nan 0.000 0.447 96 V N -0.128 119.683 119.914 -0.171 0.000 2.469 96 V HA -0.255 3.866 4.120 0.000 0.000 0.251 96 V C 2.924 178.916 176.094 -0.170 0.000 1.064 96 V CA 1.912 64.128 62.300 -0.140 0.000 1.066 96 V CB -1.481 30.285 31.823 -0.095 0.000 0.667 96 V HN 0.654 nan 8.190 nan 0.000 0.461 97 A N 0.254 122.911 122.820 -0.272 0.000 1.832 97 A HA -0.128 4.193 4.320 0.000 0.000 0.214 97 A C 2.193 179.536 177.584 -0.402 0.000 1.200 97 A CA 1.755 53.508 52.037 -0.474 0.000 0.610 97 A CB -0.677 17.752 19.000 -0.952 0.000 0.842 97 A HN 0.446 nan 8.150 nan 0.000 0.444 98 L N -0.294 120.717 121.223 -0.353 0.000 2.085 98 L HA -0.290 4.050 4.340 0.000 0.000 0.218 98 L C 2.708 179.557 176.870 -0.035 0.000 1.080 98 L CA 1.496 56.253 54.840 -0.139 0.000 0.776 98 L CB -0.803 41.252 42.059 -0.006 0.000 0.891 98 L HN 0.531 nan 8.230 nan 0.000 0.437 99 G N -1.045 107.711 108.800 -0.074 0.000 2.422 99 G HA2 -0.260 3.700 3.960 0.000 0.000 0.218 99 G HA3 -0.260 3.700 3.960 0.000 0.000 0.218 99 G C 1.577 176.473 174.900 -0.006 0.000 1.140 99 G CA 0.713 45.794 45.100 -0.031 0.000 0.775 99 G HN 0.278 nan 8.290 nan 0.000 0.545 100 M N 0.507 120.093 119.600 -0.024 0.000 2.156 100 M HA -0.002 4.478 4.480 0.000 0.000 0.264 100 M C 2.284 178.612 176.300 0.048 0.000 1.067 100 M CA 1.354 56.664 55.300 0.016 0.000 1.131 100 M CB -0.755 31.862 32.600 0.028 0.000 1.368 100 M HN 0.266 nan 8.290 nan 0.000 0.416 101 Q N 0.122 119.953 119.800 0.051 0.000 2.368 101 Q HA -0.185 4.156 4.340 0.000 0.000 0.210 101 Q C 1.855 177.898 176.000 0.073 0.000 0.982 101 Q CA 1.113 56.968 55.803 0.087 0.000 0.884 101 Q CB -0.073 28.721 28.738 0.093 0.000 0.933 101 Q HN 0.649 nan 8.270 nan 0.000 0.460 102 Q N 0.085 119.925 119.800 0.068 0.000 2.089 102 Q HA -0.037 4.303 4.340 0.000 0.000 0.195 102 Q C 2.106 178.138 176.000 0.053 0.000 0.963 102 Q CA 0.938 56.782 55.803 0.070 0.000 0.834 102 Q CB -0.164 28.630 28.738 0.093 0.000 0.906 102 Q HN 0.388 nan 8.270 nan 0.000 0.452 103 I N 1.276 121.874 120.570 0.047 0.000 2.286 103 I HA -0.139 4.032 4.170 0.000 0.000 0.245 103 I C 2.128 178.268 176.117 0.039 0.000 1.104 103 I CA 1.192 62.515 61.300 0.038 0.000 1.397 103 I CB -0.464 37.555 38.000 0.032 0.000 1.072 103 I HN 0.023 nan 8.210 nan 0.000 0.417 104 A N 0.021 122.870 122.820 0.048 0.000 2.248 104 A HA -0.092 4.229 4.320 0.000 0.000 0.210 104 A C 1.980 179.592 177.584 0.047 0.000 1.174 104 A CA 1.695 53.762 52.037 0.050 0.000 0.750 104 A CB -1.079 17.962 19.000 0.068 0.000 0.780 104 A HN 0.524 nan 8.150 nan 0.000 0.478 105 T N -5.925 108.656 114.554 0.044 0.000 3.085 105 T HA 0.442 4.793 4.350 0.000 0.000 0.264 105 T C 1.321 176.037 174.700 0.028 0.000 1.019 105 T CA 0.931 63.053 62.100 0.036 0.000 0.910 105 T CB 0.304 69.195 68.868 0.039 0.000 1.059 105 T HN 1.500 nan 8.240 nan 0.000 0.542 106 G N 1.873 110.689 108.800 0.027 0.000 2.205 106 G HA2 -0.283 3.677 3.960 0.000 0.000 0.261 106 G HA3 -0.283 3.677 3.960 0.000 0.000 0.261 106 G C 0.643 175.557 174.900 0.022 0.000 0.980 106 G CA 0.402 45.515 45.100 0.022 0.000 0.632 106 G HN 0.539 nan 8.290 nan 0.000 0.533 107 D N 0.671 121.086 120.400 0.026 0.000 2.317 107 D HA 0.396 5.037 4.640 0.000 0.000 0.211 107 D C 1.284 177.602 176.300 0.031 0.000 0.966 107 D CA 1.571 55.586 54.000 0.025 0.000 0.876 107 D CB 0.296 41.111 40.800 0.025 0.000 0.927 107 D HN 1.065 nan 8.370 nan 0.000 0.519 108 A N -0.649 122.191 122.820 0.034 0.000 2.608 108 A HA 0.400 4.720 4.320 0.000 0.000 0.292 108 A C 0.438 178.040 177.584 0.030 0.000 1.066 108 A CA -0.316 51.742 52.037 0.035 0.000 0.676 108 A CB 1.426 20.456 19.000 0.049 0.000 1.277 108 A HN -0.136 nan 8.150 nan 0.000 0.413 109 S N 0.063 115.779 115.700 0.026 0.000 2.427 109 S HA 0.418 4.888 4.470 0.000 0.000 0.224 109 S C 0.441 175.053 174.600 0.019 0.000 1.047 109 S CA 0.651 58.864 58.200 0.021 0.000 0.953 109 S CB -0.189 63.022 63.200 0.018 0.000 0.824 109 S HN 0.557 nan 8.310 nan 0.000 0.502 110 I N 2.478 123.060 120.570 0.020 0.000 2.571 110 I HA 0.430 4.600 4.170 0.000 0.000 0.289 110 I C -1.486 174.638 176.117 0.012 0.000 1.115 110 I CA -0.612 60.696 61.300 0.014 0.000 1.045 110 I CB 2.108 40.115 38.000 0.011 0.000 1.238 110 I HN 0.155 nan 8.210 nan 0.000 0.424 111 I N 6.363 126.935 120.570 0.003 0.000 2.647 111 I HA 0.478 4.648 4.170 0.000 0.000 0.295 111 I C -0.267 175.832 176.117 -0.030 0.000 1.078 111 I CA -0.844 60.449 61.300 -0.011 0.000 1.048 111 I CB 2.303 40.298 38.000 -0.009 0.000 1.239 111 I HN 0.092 nan 8.210 nan 0.000 0.421 112 V N 3.686 123.571 119.914 -0.049 0.000 2.532 112 V HA 0.916 5.037 4.120 0.000 0.000 0.295 112 V C 0.201 176.229 176.094 -0.110 0.000 1.041 112 V CA -0.437 61.825 62.300 -0.063 0.000 0.926 112 V CB 1.573 33.364 31.823 -0.053 0.000 0.992 112 V HN 0.965 nan 8.190 nan 0.000 0.457 113 A N 2.284 125.039 122.820 -0.109 0.000 2.612 113 A HA 1.027 5.348 4.320 0.000 0.000 0.293 113 A C -0.086 177.424 177.584 -0.122 0.000 1.075 113 A CA 0.067 52.013 52.037 -0.151 0.000 0.680 113 A CB 1.770 20.679 19.000 -0.153 0.000 1.279 113 A HN 2.005 nan 8.150 nan 0.000 0.411 114 G N -1.103 107.611 108.800 -0.143 0.000 2.288 114 G HA2 0.656 4.617 3.960 0.000 0.000 0.227 114 G HA3 0.656 4.617 3.960 0.000 0.000 0.227 114 G C -0.038 174.785 174.900 -0.128 0.000 1.339 114 G CA 0.409 45.441 45.100 -0.113 0.000 1.057 114 G HN 2.406 nan 8.290 nan 0.000 0.470 115 G N -0.956 107.781 108.800 -0.104 0.000 2.687 115 G HA2 0.871 4.831 3.960 0.000 0.000 0.291 115 G HA3 0.871 4.831 3.960 0.000 0.000 0.291 115 G C -0.618 174.229 174.900 -0.087 0.000 1.420 115 G CA 0.227 45.267 45.100 -0.101 0.000 0.796 115 G HN 1.808 nan 8.290 nan 0.000 0.485 116 M N -1.066 118.486 119.600 -0.080 0.000 2.578 116 M HA 0.924 5.405 4.480 0.000 0.000 0.276 116 M C -1.936 174.322 176.300 -0.069 0.000 1.245 116 M CA -0.934 54.318 55.300 -0.081 0.000 0.871 116 M CB 2.711 35.264 32.600 -0.077 0.000 1.722 116 M HN 0.512 nan 8.290 nan 0.000 0.473 117 E N 0.576 120.731 120.200 -0.075 0.000 2.397 117 E HA 0.412 4.762 4.350 0.000 0.000 0.293 117 E C -2.047 174.524 176.600 -0.048 0.000 0.930 117 E CA -0.065 56.302 56.400 -0.055 0.000 0.793 117 E CB 2.398 32.065 29.700 -0.054 0.000 1.259 117 E HN 0.720 nan 8.360 nan 0.000 0.406 118 S N 5.359 121.046 115.700 -0.023 0.000 2.505 118 S HA 0.283 4.753 4.470 0.000 0.000 0.280 118 S C 0.910 175.532 174.600 0.037 0.000 1.197 118 S CA -0.381 57.824 58.200 0.009 0.000 1.138 118 S CB 0.115 63.321 63.200 0.011 0.000 1.010 118 S HN 0.702 nan 8.310 nan 0.000 0.480 119 M N 2.009 121.630 119.600 0.034 0.000 2.213 119 M HA -0.067 4.413 4.480 0.000 0.000 0.263 119 M C 2.180 178.602 176.300 0.204 0.000 1.062 119 M CA 1.227 56.548 55.300 0.035 0.000 1.105 119 M CB -0.449 32.095 32.600 -0.093 0.000 1.385 119 M HN 0.519 nan 8.290 nan 0.000 0.417 120 S N 0.262 116.128 115.700 0.276 0.000 2.382 120 S HA 0.015 4.485 4.470 0.000 0.000 0.228 120 S C 1.673 176.381 174.600 0.179 0.000 1.027 120 S CA 1.028 59.425 58.200 0.329 0.000 0.991 120 S CB -0.079 63.241 63.200 0.201 0.000 0.823 120 S HN 0.433 nan 8.310 nan 0.000 0.469 121 M N 1.179 120.850 119.600 0.119 0.000 2.568 121 M HA 0.277 4.757 4.480 0.000 0.000 0.226 121 M C 0.504 176.849 176.300 0.074 0.000 1.148 121 M CA -0.109 55.242 55.300 0.084 0.000 1.007 121 M CB -1.176 31.462 32.600 0.064 0.000 1.651 121 M HN 0.126 nan 8.290 nan 0.000 0.488 122 A N 3.318 126.184 122.820 0.077 0.000 2.451 122 A HA 0.424 4.744 4.320 0.000 0.000 0.266 122 A C -1.994 175.604 177.584 0.024 0.000 1.119 122 A CA -0.869 51.190 52.037 0.038 0.000 0.786 122 A CB -0.575 18.433 19.000 0.014 0.000 1.061 122 A HN 0.162 nan 8.150 nan 0.000 0.503 123 P HA 0.317 nan 4.420 nan 0.000 0.281 123 P C -0.668 176.624 177.300 -0.013 0.000 1.249 123 P CA -0.198 62.933 63.100 0.052 0.000 0.810 123 P CB 0.591 32.331 31.700 0.066 0.000 1.008 124 H N -0.394 118.717 119.070 0.068 0.000 2.551 124 H HA 0.425 4.981 4.556 0.001 0.000 0.358 124 H C 0.428 175.800 175.328 0.073 0.000 1.151 124 H CA 0.328 56.419 56.048 0.072 0.000 1.374 124 H CB 0.412 30.218 29.762 0.072 0.000 1.473 124 H HN 0.653 nan 8.280 nan 0.000 0.574 125 C N 0.663 120.075 119.300 0.186 0.000 3.173 125 C HA 0.964 5.424 4.460 0.000 0.000 0.310 125 C C -0.910 174.167 174.990 0.146 0.000 1.306 125 C CA -0.600 58.499 59.018 0.135 0.000 1.426 125 C CB 0.651 28.440 27.740 0.082 0.000 1.800 125 C HN 1.010 nan 8.230 nan 0.000 0.470 126 A N 0.917 123.809 122.820 0.120 0.000 2.547 126 A HA 0.697 5.017 4.320 0.000 0.000 0.297 126 A C -1.248 176.372 177.584 0.059 0.000 1.056 126 A CA -0.233 51.858 52.037 0.090 0.000 0.688 126 A CB 0.880 19.941 19.000 0.102 0.000 1.282 126 A HN 1.317 nan 8.150 nan 0.000 0.400 127 H N 3.250 122.275 119.070 -0.074 0.000 2.741 127 H HA 0.534 5.090 4.556 0.001 0.000 0.282 127 H C -1.140 174.094 175.328 -0.157 0.000 1.122 127 H CA -0.289 55.706 56.048 -0.087 0.000 1.293 127 H CB 0.431 30.154 29.762 -0.064 0.000 1.415 127 H HN 0.496 nan 8.280 nan 0.000 0.472 128 L N 5.798 126.793 121.223 -0.379 0.000 3.168 128 L HA 0.295 4.635 4.340 0.000 0.000 0.277 128 L C 1.833 178.482 176.870 -0.369 0.000 1.308 128 L CA -0.233 54.344 54.840 -0.439 0.000 0.976 128 L CB 0.337 42.180 42.059 -0.360 0.000 1.383 128 L HN 0.516 nan 8.230 nan 0.000 0.572 129 R N 0.648 120.829 120.500 -0.532 0.000 2.066 129 R HA -0.043 4.297 4.340 0.000 0.000 0.232 129 R C 2.281 178.440 176.300 -0.235 0.000 1.131 129 R CA 1.529 57.465 56.100 -0.273 0.000 0.955 129 R CB -0.288 29.961 30.300 -0.085 0.000 0.851 129 R HN 0.532 nan 8.270 nan 0.000 0.432 130 G N 0.136 108.746 108.800 -0.317 0.000 2.432 130 G HA2 -0.010 3.950 3.960 0.000 0.000 0.219 130 G HA3 -0.010 3.950 3.960 0.000 0.000 0.219 130 G C 0.468 175.276 174.900 -0.152 0.000 1.135 130 G CA 0.689 45.681 45.100 -0.180 0.000 0.767 130 G HN 0.612 nan 8.290 nan 0.000 0.550 131 G N -1.288 107.391 108.800 -0.203 0.000 3.399 131 G HA2 0.044 4.005 3.960 0.000 0.000 0.685 131 G HA3 0.044 4.005 3.960 0.000 0.000 0.685 131 G C -0.399 174.425 174.900 -0.128 0.000 0.952 131 G CA -0.435 44.573 45.100 -0.154 0.000 0.793 131 G HN 0.878 nan 8.290 nan 0.000 0.492 132 V N 4.529 124.361 119.914 -0.138 0.000 2.397 132 V HA 0.156 4.276 4.120 0.000 0.000 0.262 132 V C 1.660 177.763 176.094 0.014 0.000 1.047 132 V CA 0.204 62.471 62.300 -0.054 0.000 1.003 132 V CB 1.081 32.898 31.823 -0.010 0.000 1.037 132 V HN 0.795 nan 8.190 nan 0.000 0.480 133 K N 4.351 124.755 120.400 0.006 0.000 2.288 133 K HA 0.124 4.444 4.320 0.000 0.000 0.201 133 K C 0.386 177.003 176.600 0.028 0.000 1.048 133 K CA 0.814 57.108 56.287 0.012 0.000 0.956 133 K CB 0.269 32.770 32.500 0.002 0.000 0.746 133 K HN 0.686 nan 8.250 nan 0.000 0.461 134 M N -1.145 118.480 119.600 0.041 0.000 2.342 134 M HA 0.360 4.840 4.480 0.000 0.000 0.276 134 M C -1.671 174.666 176.300 0.061 0.000 1.054 134 M CA 0.086 55.413 55.300 0.044 0.000 0.930 134 M CB 2.087 34.704 32.600 0.028 0.000 1.929 134 M HN 0.270 nan 8.290 nan 0.000 0.492 135 G N 2.547 111.388 108.800 0.067 0.000 2.362 135 G HA2 0.085 4.045 3.960 0.000 0.000 0.656 135 G HA3 0.085 4.045 3.960 0.000 0.000 0.656 135 G C -2.039 172.912 174.900 0.084 0.000 1.376 135 G CA -0.919 44.222 45.100 0.068 0.000 0.971 135 G HN 0.735 nan 8.290 nan 0.000 0.636 136 D N -0.269 120.154 120.400 0.039 0.000 2.357 136 D HA 0.639 5.279 4.640 0.000 0.000 0.242 136 D C 0.467 176.817 176.300 0.085 0.000 1.153 136 D CA 0.710 54.695 54.000 -0.026 0.000 0.918 136 D CB 0.716 41.486 40.800 -0.050 0.000 1.181 136 D HN 0.631 nan 8.370 nan 0.000 0.435 137 F N -2.237 117.717 119.950 0.007 0.000 2.613 137 F HA 0.542 5.069 4.527 -0.000 0.000 0.314 137 F C -0.311 175.501 175.800 0.020 0.000 1.075 137 F CA -1.332 56.676 58.000 0.013 0.000 0.945 137 F CB 1.327 40.333 39.000 0.009 0.000 1.310 137 F HN -0.164 nan 8.300 nan 0.000 0.467 138 K N 2.607 123.177 120.400 0.283 0.000 2.234 138 K HA 0.358 4.678 4.320 0.000 0.000 0.282 138 K C -0.716 176.038 176.600 0.255 0.000 1.039 138 K CA -0.711 55.681 56.287 0.176 0.000 0.928 138 K CB 1.052 33.632 32.500 0.133 0.000 1.039 138 K HN 0.546 nan 8.250 nan 0.000 0.470 139 M N 4.746 124.450 119.600 0.173 0.000 2.077 139 M HA 0.245 4.726 4.480 0.000 0.000 0.348 139 M C -0.382 176.057 176.300 0.231 0.000 1.252 139 M CA -0.741 54.684 55.300 0.208 0.000 1.096 139 M CB 0.336 33.007 32.600 0.119 0.000 1.568 139 M HN 0.344 nan 8.290 nan 0.000 0.456 140 I N 2.791 123.490 120.570 0.215 0.000 2.395 140 I HA 0.127 4.297 4.170 0.000 0.000 0.289 140 I C 0.498 176.699 176.117 0.140 0.000 1.023 140 I CA -0.434 60.967 61.300 0.170 0.000 1.350 140 I CB 0.682 38.746 38.000 0.106 0.000 1.409 140 I HN 0.466 nan 8.210 nan 0.000 0.507 141 D N 4.907 125.349 120.400 0.071 0.000 2.411 141 D HA 0.053 4.693 4.640 0.000 0.000 0.225 141 D C 1.411 177.618 176.300 -0.156 0.000 1.156 141 D CA -0.176 53.665 54.000 -0.265 0.000 0.874 141 D CB 1.004 41.710 40.800 -0.156 0.000 1.034 141 D HN 0.703 nan 8.370 nan 0.000 0.502 142 T N 1.207 115.672 114.554 -0.149 0.000 2.897 142 T HA -0.233 4.117 4.350 0.000 0.000 0.271 142 T C 1.857 176.522 174.700 -0.057 0.000 1.084 142 T CA 0.857 62.917 62.100 -0.066 0.000 1.123 142 T CB -0.229 68.616 68.868 -0.039 0.000 0.865 142 T HN 0.490 nan 8.240 nan 0.000 0.496 143 M N 0.399 119.954 119.600 -0.076 0.000 2.200 143 M HA 0.035 4.515 4.480 0.000 0.000 0.265 143 M C 1.903 178.180 176.300 -0.037 0.000 1.066 143 M CA 1.559 56.827 55.300 -0.053 0.000 1.127 143 M CB -0.198 32.370 32.600 -0.054 0.000 1.379 143 M HN 0.211 nan 8.290 nan 0.000 0.420 144 I N 0.450 121.008 120.570 -0.019 0.000 2.353 144 I HA -0.203 3.967 4.170 0.000 0.000 0.248 144 I C 2.305 178.421 176.117 -0.002 0.000 1.119 144 I CA 1.141 62.453 61.300 0.019 0.000 1.417 144 I CB -1.137 36.907 38.000 0.074 0.000 1.078 144 I HN 0.327 nan 8.210 nan 0.000 0.421 145 K N 1.817 122.213 120.400 -0.007 0.000 1.991 145 K HA -0.120 4.200 4.320 0.000 0.000 0.208 145 K C 1.545 178.132 176.600 -0.022 0.000 1.038 145 K CA 1.697 57.979 56.287 -0.008 0.000 0.943 145 K CB -0.224 32.274 32.500 -0.003 0.000 0.736 145 K HN 0.038 nan 8.250 nan 0.000 0.440 146 D N -0.855 119.531 120.400 -0.023 0.000 2.347 146 D HA 0.027 4.667 4.640 0.000 0.000 0.215 146 D C 1.440 177.730 176.300 -0.018 0.000 0.976 146 D CA 1.153 55.140 54.000 -0.021 0.000 0.884 146 D CB 0.311 41.100 40.800 -0.019 0.000 0.915 146 D HN 0.512 nan 8.370 nan 0.000 0.526 147 G N -0.532 108.252 108.800 -0.027 0.000 2.727 147 G HA2 0.105 4.066 3.960 0.000 0.000 0.203 147 G HA3 0.105 4.066 3.960 0.000 0.000 0.203 147 G C 1.304 176.180 174.900 -0.040 0.000 1.117 147 G CA -0.130 44.953 45.100 -0.028 0.000 0.817 147 G HN 0.208 nan 8.290 nan 0.000 0.553 148 L N 0.813 121.988 121.223 -0.081 0.000 2.858 148 L HA 0.301 4.642 4.340 0.000 0.000 0.251 148 L C 0.110 176.821 176.870 -0.265 0.000 1.149 148 L CA 0.198 54.915 54.840 -0.205 0.000 0.955 148 L CB 1.218 43.098 42.059 -0.299 0.000 1.289 148 L HN -0.066 nan 8.230 nan 0.000 0.542 149 T N 0.118 114.608 114.554 -0.106 0.000 2.770 149 T HA 0.120 4.470 4.350 0.000 0.000 0.297 149 T C -0.471 174.230 174.700 0.003 0.000 0.997 149 T CA -0.405 61.669 62.100 -0.043 0.000 0.949 149 T CB 1.243 70.104 68.868 -0.011 0.000 0.941 149 T HN -0.031 nan 8.240 nan 0.000 0.457 150 D N 2.949 123.382 120.400 0.054 0.000 2.479 150 D HA 0.148 4.788 4.640 0.000 0.000 0.257 150 D C 1.125 177.433 176.300 0.014 0.000 1.230 150 D CA -0.096 53.972 54.000 0.113 0.000 0.912 150 D CB 0.484 41.395 40.800 0.185 0.000 1.130 150 D HN 0.590 nan 8.370 nan 0.000 0.515 151 A N 3.516 126.298 122.820 -0.064 0.000 2.264 151 A HA 0.002 4.323 4.320 0.000 0.000 0.207 151 A C 0.904 178.096 177.584 -0.654 0.000 1.196 151 A CA 0.526 52.330 52.037 -0.387 0.000 0.778 151 A CB -0.450 18.218 19.000 -0.554 0.000 0.779 151 A HN 0.640 nan 8.150 nan 0.000 0.483 152 F N -4.223 115.683 119.950 -0.074 0.000 2.747 152 F HA 0.272 4.800 4.527 0.001 0.000 0.305 152 F C 1.532 177.062 175.800 -0.450 0.000 1.065 152 F CA 0.156 58.052 58.000 -0.172 0.000 1.230 152 F CB 0.298 39.275 39.000 -0.040 0.000 1.027 152 F HN 0.206 nan 8.300 nan 0.000 0.607 153 Y N -0.896 119.303 120.300 -0.167 0.000 2.594 153 Y HA 0.501 5.051 4.550 0.000 0.000 0.283 153 Y C 2.035 177.678 175.900 -0.428 0.000 1.140 153 Y CA 0.600 58.451 58.100 -0.416 0.000 1.261 153 Y CB 0.292 38.231 38.460 -0.868 0.000 1.358 153 Y HN -0.039 nan 8.280 nan 0.000 0.513 154 G N -1.157 107.463 108.800 -0.301 0.000 2.551 154 G HA2 -0.188 3.772 3.960 0.000 0.000 0.186 154 G HA3 -0.188 3.772 3.960 0.000 0.000 0.186 154 G C -0.327 174.555 174.900 -0.030 0.000 1.002 154 G CA -0.188 44.828 45.100 -0.140 0.000 0.723 154 G HN 0.220 nan 8.290 nan 0.000 0.481 155 Y N 1.452 121.837 120.300 0.142 0.000 2.354 155 Y HA 0.815 5.365 4.550 0.000 0.000 0.322 155 Y C 0.781 176.763 175.900 0.136 0.000 1.253 155 Y CA -2.272 55.911 58.100 0.138 0.000 1.272 155 Y CB 0.087 38.610 38.460 0.106 0.000 1.255 155 Y HN 0.242 nan 8.280 nan 0.000 0.500 156 H N 2.690 121.957 119.070 0.328 0.000 2.935 156 H HA -0.035 4.521 4.556 0.000 0.000 0.376 156 H C 1.201 176.576 175.328 0.078 0.000 1.307 156 H CA 0.619 56.800 56.048 0.221 0.000 1.442 156 H CB 0.835 30.811 29.762 0.357 0.000 1.427 156 H HN 0.845 nan 8.280 nan 0.000 0.615 157 M N 2.364 121.979 119.600 0.026 0.000 2.106 157 M HA -0.145 4.336 4.480 0.000 0.000 0.259 157 M C 2.488 178.527 176.300 -0.434 0.000 1.068 157 M CA 1.586 56.875 55.300 -0.017 0.000 1.100 157 M CB -1.834 30.838 32.600 0.120 0.000 1.351 157 M HN 0.799 nan 8.290 nan 0.000 0.404 158 G N -0.048 108.316 108.800 -0.727 0.000 2.545 158 G HA2 -0.279 3.681 3.960 0.000 0.000 0.222 158 G HA3 -0.279 3.681 3.960 0.000 0.000 0.222 158 G C 1.576 175.706 174.900 -1.284 0.000 1.126 158 G CA 1.886 45.762 45.100 -2.039 0.000 0.754 158 G HN 0.446 nan 8.290 nan 0.000 0.583 159 T N 0.707 114.750 114.554 -0.852 0.000 2.737 159 T HA -0.141 4.209 4.350 0.000 0.000 0.265 159 T C 2.827 177.139 174.700 -0.647 0.000 1.038 159 T CA 2.347 64.022 62.100 -0.709 0.000 1.144 159 T CB -0.672 67.595 68.868 -1.002 0.000 0.866 159 T HN 0.627 nan 8.240 nan 0.000 0.434 160 T N 1.368 115.610 114.554 -0.522 0.000 2.737 160 T HA -0.158 4.192 4.350 0.000 0.000 0.269 160 T C 2.147 176.657 174.700 -0.317 0.000 1.040 160 T CA 1.548 63.457 62.100 -0.320 0.000 1.142 160 T CB -0.632 68.155 68.868 -0.135 0.000 0.861 160 T HN 0.325 nan 8.240 nan 0.000 0.456 161 A N 1.898 124.445 122.820 -0.455 0.000 1.883 161 A HA -0.121 4.199 4.320 0.000 0.000 0.217 161 A C 2.473 179.896 177.584 -0.268 0.000 1.186 161 A CA 1.729 53.530 52.037 -0.393 0.000 0.624 161 A CB -0.664 17.957 19.000 -0.632 0.000 0.822 161 A HN 0.552 nan 8.150 nan 0.000 0.444 162 E N 0.476 120.488 120.200 -0.312 0.000 2.153 162 E HA -0.147 4.203 4.350 0.000 0.000 0.194 162 E C 1.584 178.082 176.600 -0.170 0.000 0.988 162 E CA 1.037 57.309 56.400 -0.214 0.000 0.811 162 E CB -0.425 29.140 29.700 -0.225 0.000 0.746 162 E HN 0.654 nan 8.360 nan 0.000 0.466 163 N N 0.440 119.015 118.700 -0.208 0.000 2.309 163 N HA -0.095 4.645 4.740 0.000 0.000 0.182 163 N C 1.955 177.409 175.510 -0.092 0.000 1.018 163 N CA 0.815 53.770 53.050 -0.158 0.000 0.876 163 N CB -0.083 38.289 38.487 -0.193 0.000 0.972 163 N HN 0.071 nan 8.380 nan 0.000 0.434 164 V N 1.015 120.891 119.914 -0.064 0.000 2.599 164 V HA 0.074 4.194 4.120 0.000 0.000 0.245 164 V C 2.475 178.621 176.094 0.087 0.000 1.046 164 V CA 1.013 63.339 62.300 0.044 0.000 1.065 164 V CB -0.908 30.968 31.823 0.088 0.000 0.703 164 V HN 0.187 nan 8.190 nan 0.000 0.464 165 A N 1.153 123.977 122.820 0.007 0.000 1.848 165 A HA -0.305 4.015 4.320 0.000 0.000 0.217 165 A C 2.265 179.866 177.584 0.029 0.000 1.220 165 A CA 2.532 54.578 52.037 0.015 0.000 0.645 165 A CB -0.719 18.261 19.000 -0.033 0.000 0.842 165 A HN 0.491 nan 8.150 nan 0.000 0.451 166 K N -0.885 119.506 120.400 -0.016 0.000 2.089 166 K HA -0.288 4.033 4.320 0.000 0.000 0.210 166 K C 2.391 178.974 176.600 -0.027 0.000 1.048 166 K CA 1.969 58.242 56.287 -0.023 0.000 0.926 166 K CB -0.278 32.194 32.500 -0.047 0.000 0.714 166 K HN 0.686 nan 8.250 nan 0.000 0.448 167 Q N -0.259 119.518 119.800 -0.039 0.000 1.975 167 Q HA -0.172 4.168 4.340 0.000 0.000 0.205 167 Q C 1.597 177.504 176.000 -0.155 0.000 0.990 167 Q CA 1.833 57.564 55.803 -0.119 0.000 0.845 167 Q CB -0.115 28.536 28.738 -0.147 0.000 0.913 167 Q HN 0.411 nan 8.270 nan 0.000 0.420 168 W N 0.775 122.046 121.300 -0.049 0.000 3.077 168 W HA 0.045 4.705 4.660 0.000 0.000 0.245 168 W C -0.017 176.480 176.519 -0.036 0.000 1.316 168 W CA 0.358 57.678 57.345 -0.042 0.000 1.537 168 W CB 0.305 29.738 29.460 -0.046 0.000 1.131 168 W HN 0.307 nan 8.180 nan 0.000 0.695 169 Q N -0.227 119.653 119.800 0.134 0.000 2.475 169 Q HA -0.229 4.111 4.340 0.000 0.000 0.280 169 Q C -0.251 175.799 176.000 0.084 0.000 1.234 169 Q CA 0.256 56.105 55.803 0.077 0.000 0.873 169 Q CB -2.402 26.368 28.738 0.054 0.000 1.256 169 Q HN 0.339 nan 8.270 nan 0.000 0.475 170 L N 2.271 123.547 121.223 0.090 0.000 2.515 170 L HA 0.115 4.455 4.340 0.000 0.000 0.281 170 L C 1.082 177.970 176.870 0.030 0.000 1.131 170 L CA 0.003 54.873 54.840 0.051 0.000 0.905 170 L CB 0.198 42.269 42.059 0.020 0.000 1.246 170 L HN 0.263 nan 8.230 nan 0.000 0.463 171 S N 2.355 118.074 115.700 0.032 0.000 2.593 171 S HA 0.104 4.574 4.470 0.000 0.000 0.269 171 S C 0.984 175.601 174.600 0.028 0.000 1.334 171 S CA -0.762 57.455 58.200 0.027 0.000 1.015 171 S CB 1.445 64.662 63.200 0.028 0.000 0.912 171 S HN 0.667 nan 8.310 nan 0.000 0.541 172 R N 0.931 121.447 120.500 0.027 0.000 2.193 172 R HA -0.107 4.233 4.340 0.000 0.000 0.229 172 R C 1.109 177.432 176.300 0.038 0.000 1.110 172 R CA 1.974 58.094 56.100 0.032 0.000 0.988 172 R CB -0.723 29.594 30.300 0.028 0.000 0.871 172 R HN 0.795 nan 8.270 nan 0.000 0.458 173 D N 0.003 120.424 120.400 0.035 0.000 2.103 173 D HA -0.182 4.458 4.640 0.000 0.000 0.199 173 D C 1.545 177.874 176.300 0.048 0.000 0.978 173 D CA 1.438 55.460 54.000 0.037 0.000 0.829 173 D CB -0.201 40.618 40.800 0.031 0.000 0.981 173 D HN 0.534 nan 8.370 nan 0.000 0.464 174 E N 1.062 121.292 120.200 0.050 0.000 2.047 174 E HA -0.195 4.155 4.350 0.000 0.000 0.191 174 E C 2.041 178.695 176.600 0.090 0.000 0.987 174 E CA 0.854 57.293 56.400 0.065 0.000 0.799 174 E CB 0.105 29.837 29.700 0.053 0.000 0.752 174 E HN 0.231 nan 8.360 nan 0.000 0.449 175 Q N 0.332 120.172 119.800 0.067 0.000 2.030 175 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 175 Q C 2.052 178.130 176.000 0.130 0.000 0.986 175 Q CA 1.711 57.559 55.803 0.074 0.000 0.843 175 Q CB -0.135 28.624 28.738 0.036 0.000 0.904 175 Q HN 0.366 nan 8.270 nan 0.000 0.420 176 D N 0.265 120.723 120.400 0.097 0.000 2.158 176 D HA -0.160 4.480 4.640 0.000 0.000 0.197 176 D C 1.766 178.123 176.300 0.096 0.000 0.995 176 D CA 1.288 55.342 54.000 0.091 0.000 0.846 176 D CB -0.159 40.678 40.800 0.060 0.000 0.941 176 D HN 0.275 nan 8.370 nan 0.000 0.456 177 A N 0.485 123.362 122.820 0.095 0.000 1.908 177 A HA -0.213 4.107 4.320 0.000 0.000 0.218 177 A C 2.145 179.788 177.584 0.098 0.000 1.181 177 A CA 1.192 53.277 52.037 0.079 0.000 0.627 177 A CB -1.067 17.977 19.000 0.074 0.000 0.818 177 A HN 0.267 nan 8.150 nan 0.000 0.445 178 F N 0.845 120.799 119.950 0.007 0.000 2.095 178 F HA -0.105 4.422 4.527 0.000 0.000 0.298 178 F C 2.569 178.371 175.800 0.003 0.000 1.104 178 F CA 1.263 59.266 58.000 0.006 0.000 1.232 178 F CB -0.482 38.523 39.000 0.007 0.000 0.987 178 F HN 0.281 nan 8.300 nan 0.000 0.475 179 A N 0.068 123.030 122.820 0.237 0.000 1.849 179 A HA -0.228 4.092 4.320 0.000 0.000 0.217 179 A C 2.331 179.909 177.584 -0.011 0.000 1.202 179 A CA 2.555 54.664 52.037 0.119 0.000 0.629 179 A CB -1.519 17.551 19.000 0.116 0.000 0.834 179 A HN 0.270 nan 8.150 nan 0.000 0.447 180 V N -0.081 119.828 119.914 -0.009 0.000 2.282 180 V HA -0.316 3.804 4.120 0.000 0.000 0.249 180 V C 3.067 179.113 176.094 -0.080 0.000 1.057 180 V CA 2.230 64.507 62.300 -0.038 0.000 1.032 180 V CB -1.483 30.327 31.823 -0.021 0.000 0.645 180 V HN 0.704 nan 8.190 nan 0.000 0.447 181 A N -0.667 122.084 122.820 -0.115 0.000 1.881 181 A HA -0.354 3.966 4.320 0.000 0.000 0.219 181 A C 2.544 180.018 177.584 -0.184 0.000 1.215 181 A CA 2.865 54.802 52.037 -0.167 0.000 0.648 181 A CB -1.229 17.619 19.000 -0.253 0.000 0.832 181 A HN 0.488 nan 8.150 nan 0.000 0.455 182 S N -1.449 114.103 115.700 -0.246 0.000 2.383 182 S HA -0.190 4.280 4.470 0.000 0.000 0.229 182 S C 2.219 176.760 174.600 -0.099 0.000 1.030 182 S CA 1.590 59.680 58.200 -0.183 0.000 1.002 182 S CB -0.385 62.707 63.200 -0.180 0.000 0.829 182 S HN 0.583 nan 8.310 nan 0.000 0.467 183 Q N 1.408 121.152 119.800 -0.092 0.000 1.993 183 Q HA -0.063 4.277 4.340 0.000 0.000 0.202 183 Q C 1.961 177.904 176.000 -0.095 0.000 0.984 183 Q CA 1.646 57.394 55.803 -0.091 0.000 0.837 183 Q CB -1.109 27.575 28.738 -0.089 0.000 0.902 183 Q HN 0.704 nan 8.270 nan 0.000 0.423 184 N N 0.711 119.358 118.700 -0.089 0.000 2.036 184 N HA -0.184 4.556 4.740 0.000 0.000 0.195 184 N C 1.855 177.319 175.510 -0.077 0.000 1.037 184 N CA 1.125 54.126 53.050 -0.083 0.000 0.855 184 N CB -0.108 38.337 38.487 -0.070 0.000 1.033 184 N HN 0.183 nan 8.380 nan 0.000 0.423 185 K N 0.734 121.089 120.400 -0.075 0.000 2.001 185 K HA -0.160 4.160 4.320 0.000 0.000 0.214 185 K C 2.223 178.811 176.600 -0.019 0.000 1.050 185 K CA 1.550 57.803 56.287 -0.057 0.000 0.934 185 K CB -0.242 32.218 32.500 -0.066 0.000 0.718 185 K HN 0.187 nan 8.250 nan 0.000 0.443 186 A N 1.092 123.921 122.820 0.016 0.000 2.015 186 A HA -0.202 4.119 4.320 0.000 0.000 0.219 186 A C 1.993 179.633 177.584 0.093 0.000 1.163 186 A CA 1.531 53.648 52.037 0.133 0.000 0.646 186 A CB -0.361 18.699 19.000 0.100 0.000 0.806 186 A HN 0.448 nan 8.150 nan 0.000 0.448 187 E N 0.011 120.175 120.200 -0.061 0.000 2.107 187 E HA -0.058 4.292 4.350 0.000 0.000 0.191 187 E C 2.157 178.691 176.600 -0.110 0.000 0.982 187 E CA 0.821 57.115 56.400 -0.178 0.000 0.809 187 E CB -0.221 29.285 29.700 -0.323 0.000 0.756 187 E HN 0.509 nan 8.360 nan 0.000 0.459 188 A N 1.765 124.533 122.820 -0.087 0.000 1.851 188 A HA -0.177 4.143 4.320 0.000 0.000 0.216 188 A C 2.498 180.008 177.584 -0.123 0.000 1.195 188 A CA 2.269 54.257 52.037 -0.083 0.000 0.622 188 A CB -1.123 17.831 19.000 -0.077 0.000 0.831 188 A HN 0.417 nan 8.150 nan 0.000 0.444 189 A N -0.771 121.951 122.820 -0.164 0.000 1.917 189 A HA -0.305 4.015 4.320 0.000 0.000 0.219 189 A C 2.249 179.505 177.584 -0.547 0.000 1.182 189 A CA 2.260 54.053 52.037 -0.407 0.000 0.633 189 A CB -0.736 17.972 19.000 -0.488 0.000 0.819 189 A HN 0.745 nan 8.150 nan 0.000 0.448 190 Q N -0.390 119.305 119.800 -0.174 0.000 2.020 190 Q HA -0.206 4.134 4.340 0.000 0.000 0.202 190 Q C 2.015 178.012 176.000 -0.006 0.000 0.982 190 Q CA 1.881 57.724 55.803 0.066 0.000 0.838 190 Q CB -0.207 28.683 28.738 0.253 0.000 0.899 190 Q HN 0.613 nan 8.270 nan 0.000 0.423 191 K N -0.051 120.343 120.400 -0.009 0.000 2.211 191 K HA -0.147 4.173 4.320 0.000 0.000 0.204 191 K C 0.652 177.235 176.600 -0.028 0.000 1.047 191 K CA 1.349 57.642 56.287 0.011 0.000 0.935 191 K CB 0.114 32.626 32.500 0.019 0.000 0.728 191 K HN 0.408 nan 8.250 nan 0.000 0.452 192 D N -1.086 119.263 120.400 -0.084 0.000 2.363 192 D HA 0.079 4.719 4.640 0.000 0.000 0.214 192 D C 0.884 177.125 176.300 -0.099 0.000 1.093 192 D CA 0.440 54.388 54.000 -0.088 0.000 0.837 192 D CB 0.851 41.589 40.800 -0.104 0.000 0.948 192 D HN 0.294 nan 8.370 nan 0.000 0.507 193 G N 1.827 110.563 108.800 -0.106 0.000 2.143 193 G HA2 -0.369 3.591 3.960 0.000 0.000 0.248 193 G HA3 -0.369 3.591 3.960 0.000 0.000 0.248 193 G C 1.087 175.901 174.900 -0.143 0.000 0.991 193 G CA -0.114 44.935 45.100 -0.085 0.000 0.689 193 G HN 0.318 nan 8.290 nan 0.000 0.522 194 R N -1.042 119.283 120.500 -0.291 0.000 2.357 194 R HA 0.115 4.456 4.340 0.000 0.000 0.202 194 R C 1.103 177.175 176.300 -0.379 0.000 1.047 194 R CA 0.993 56.870 56.100 -0.371 0.000 1.034 194 R CB -0.193 29.805 30.300 -0.503 0.000 0.875 194 R HN 0.481 nan 8.270 nan 0.000 0.473 195 F N -0.849 119.077 119.950 -0.039 0.000 2.728 195 F HA 0.228 4.755 4.527 0.001 0.000 0.314 195 F C 1.861 177.601 175.800 -0.100 0.000 1.094 195 F CA -0.633 57.332 58.000 -0.059 0.000 1.217 195 F CB 0.036 39.018 39.000 -0.030 0.000 1.056 195 F HN -0.224 nan 8.300 nan 0.000 0.577 196 K N 0.855 121.279 120.400 0.040 0.000 2.097 196 K HA -0.177 4.143 4.320 0.000 0.000 0.206 196 K C 1.220 177.758 176.600 -0.103 0.000 1.049 196 K CA 1.966 58.245 56.287 -0.014 0.000 0.933 196 K CB -0.029 32.458 32.500 -0.022 0.000 0.717 196 K HN 0.079 nan 8.250 nan 0.000 0.442 197 D N 0.339 120.628 120.400 -0.185 0.000 2.077 197 D HA -0.204 4.437 4.640 0.000 0.000 0.193 197 D C 1.838 177.710 176.300 -0.715 0.000 0.989 197 D CA 1.851 55.623 54.000 -0.381 0.000 0.831 197 D CB -0.109 40.453 40.800 -0.396 0.000 0.979 197 D HN 0.442 nan 8.370 nan 0.000 0.449 198 E N 0.601 120.221 120.200 -0.967 0.000 2.150 198 E HA -0.110 4.241 4.350 0.000 0.000 0.193 198 E C 0.771 177.187 176.600 -0.307 0.000 0.985 198 E CA 0.379 56.217 56.400 -0.937 0.000 0.814 198 E CB -0.150 29.268 29.700 -0.471 0.000 0.752 198 E HN 0.280 nan 8.360 nan 0.000 0.466 199 I N 2.248 122.714 120.570 -0.173 0.000 2.752 199 I HA -0.017 4.153 4.170 0.000 0.000 0.287 199 I C 0.028 176.119 176.117 -0.044 0.000 1.188 199 I CA -0.092 61.174 61.300 -0.058 0.000 1.427 199 I CB 1.252 39.251 38.000 -0.001 0.000 1.365 199 I HN 0.014 nan 8.210 nan 0.000 0.585 200 V N 8.454 128.370 119.914 0.005 0.000 2.555 200 V HA 0.475 4.595 4.120 0.000 0.000 0.302 200 V C -2.268 173.869 176.094 0.072 0.000 1.038 200 V CA -2.047 60.270 62.300 0.027 0.000 0.887 200 V CB 2.014 33.857 31.823 0.034 0.000 0.991 200 V HN 0.527 nan 8.190 nan 0.000 0.434 201 P HA 0.224 nan 4.420 nan 0.000 0.269 201 P C -1.445 175.946 177.300 0.153 0.000 1.209 201 P CA 0.209 63.372 63.100 0.105 0.000 0.776 201 P CB 0.246 31.980 31.700 0.057 0.000 0.876 202 F N 2.926 122.906 119.950 0.050 0.000 2.495 202 F HA 0.454 4.982 4.527 0.000 0.000 0.327 202 F C -0.670 175.164 175.800 0.057 0.000 1.103 202 F CA -1.005 57.001 58.000 0.011 0.000 0.949 202 F CB 0.995 39.950 39.000 -0.075 0.000 1.142 202 F HN 0.063 nan 8.300 nan 0.000 0.457 203 I N 7.403 127.619 120.570 -0.590 0.000 2.287 203 I HA 0.156 4.327 4.170 0.000 0.000 0.290 203 I C -0.295 175.649 176.117 -0.289 0.000 1.069 203 I CA -0.629 60.482 61.300 -0.315 0.000 1.237 203 I CB 0.757 38.576 38.000 -0.302 0.000 1.418 203 I HN 0.258 nan 8.210 nan 0.000 0.481 204 V N 7.331 127.305 119.914 0.099 0.000 2.359 204 V HA 0.034 4.154 4.120 0.000 0.000 0.248 204 V C 0.978 177.121 176.094 0.083 0.000 1.091 204 V CA -0.622 61.815 62.300 0.228 0.000 1.103 204 V CB -0.809 31.203 31.823 0.316 0.000 1.176 204 V HN 0.507 nan 8.190 nan 0.000 0.488 205 K N 3.917 124.329 120.400 0.021 0.000 2.504 205 K HA 0.164 4.484 4.320 0.000 0.000 0.278 205 K C 0.619 177.241 176.600 0.037 0.000 1.025 205 K CA 0.602 56.891 56.287 0.004 0.000 1.093 205 K CB 0.644 33.137 32.500 -0.011 0.000 0.873 205 K HN 0.818 nan 8.250 nan 0.000 0.483 206 G N 1.745 110.559 108.800 0.024 0.000 3.251 206 G HA2 0.495 4.455 3.960 0.000 0.000 0.248 206 G HA3 0.495 4.455 3.960 0.000 0.000 0.248 206 G C 0.243 175.155 174.900 0.018 0.000 1.320 206 G CA -0.501 44.616 45.100 0.029 0.000 0.982 206 G HN 0.495 nan 8.290 nan 0.000 0.575 207 R N -1.181 119.329 120.500 0.017 0.000 2.635 207 R HA 0.204 4.544 4.340 0.000 0.000 0.241 207 R C 0.420 176.725 176.300 0.010 0.000 0.941 207 R CA -0.083 56.024 56.100 0.012 0.000 1.014 207 R CB 0.145 30.452 30.300 0.013 0.000 1.517 207 R HN 0.309 nan 8.270 nan 0.000 0.594 208 K N 2.129 122.536 120.400 0.011 0.000 2.551 208 K HA 0.278 4.598 4.320 0.000 0.000 0.204 208 K C 0.316 176.920 176.600 0.008 0.000 1.033 208 K CA 0.737 57.029 56.287 0.008 0.000 1.187 208 K CB 0.570 33.075 32.500 0.008 0.000 0.900 208 K HN 0.487 nan 8.250 nan 0.000 0.499 209 G N 1.381 110.186 108.800 0.008 0.000 2.497 209 G HA2 -0.141 3.819 3.960 0.000 0.000 0.686 209 G HA3 -0.141 3.819 3.960 0.000 0.000 0.686 209 G C -1.840 173.067 174.900 0.010 0.000 1.288 209 G CA -1.078 44.026 45.100 0.007 0.000 0.899 209 G HN 0.123 nan 8.290 nan 0.000 0.608 210 D N -0.231 120.173 120.400 0.007 0.000 2.163 210 D HA 0.709 5.349 4.640 0.000 0.000 0.248 210 D C 0.417 176.728 176.300 0.018 0.000 1.035 210 D CA -0.016 53.990 54.000 0.009 0.000 0.872 210 D CB 1.576 42.372 40.800 -0.007 0.000 1.183 210 D HN 0.529 nan 8.370 nan 0.000 0.445 211 I N 1.278 121.870 120.570 0.036 0.000 2.466 211 I HA 0.193 4.363 4.170 0.000 0.000 0.289 211 I C -0.275 175.886 176.117 0.073 0.000 1.026 211 I CA -0.635 60.693 61.300 0.045 0.000 1.078 211 I CB 2.135 40.161 38.000 0.043 0.000 1.249 211 I HN 0.112 nan 8.210 nan 0.000 0.429 212 T N 5.530 120.120 114.554 0.061 0.000 2.806 212 T HA 0.385 4.736 4.350 0.000 0.000 0.290 212 T C -0.077 174.691 174.700 0.114 0.000 0.966 212 T CA -0.371 61.778 62.100 0.082 0.000 1.060 212 T CB 1.487 70.382 68.868 0.045 0.000 0.927 212 T HN 0.209 nan 8.240 nan 0.000 0.485 213 V N 4.745 124.778 119.914 0.197 0.000 2.357 213 V HA 0.393 4.514 4.120 0.000 0.000 0.284 213 V C 0.233 176.442 176.094 0.191 0.000 1.018 213 V CA -0.706 61.711 62.300 0.195 0.000 0.841 213 V CB 1.281 33.269 31.823 0.274 0.000 0.991 213 V HN 1.044 nan 8.190 nan 0.000 0.437 214 D N 3.221 123.691 120.400 0.117 0.000 2.785 214 D HA 0.409 5.049 4.640 0.000 0.000 0.324 214 D C -0.255 176.095 176.300 0.083 0.000 1.523 214 D CA -0.013 54.047 54.000 0.101 0.000 0.789 214 D CB 1.313 42.158 40.800 0.076 0.000 1.171 214 D HN 0.538 nan 8.370 nan 0.000 0.447 215 A N 0.256 123.120 122.820 0.074 0.000 2.449 215 A HA 0.543 4.863 4.320 0.000 0.000 0.302 215 A C -1.397 176.214 177.584 0.045 0.000 1.048 215 A CA -0.851 51.227 52.037 0.069 0.000 0.708 215 A CB 1.259 20.301 19.000 0.070 0.000 1.274 215 A HN 0.031 nan 8.150 nan 0.000 0.410 216 D N 1.981 122.404 120.400 0.039 0.000 2.359 216 D HA 0.250 4.891 4.640 0.000 0.000 0.250 216 D C 0.936 177.269 176.300 0.055 0.000 1.264 216 D CA 0.033 54.039 54.000 0.010 0.000 0.911 216 D CB 0.754 41.511 40.800 -0.072 0.000 1.056 216 D HN 0.669 nan 8.370 nan 0.000 0.499 217 E N 1.279 121.507 120.200 0.048 0.000 2.463 217 E HA -0.170 4.180 4.350 0.000 0.000 0.191 217 E C 0.334 177.026 176.600 0.154 0.000 1.083 217 E CA 0.179 56.621 56.400 0.069 0.000 0.872 217 E CB -0.013 29.689 29.700 0.004 0.000 0.966 217 E HN 0.553 nan 8.360 nan 0.000 0.491 218 Y N 1.260 121.555 120.300 -0.008 0.000 2.507 218 Y HA 0.290 4.840 4.550 0.000 0.000 0.263 218 Y C 0.682 176.587 175.900 0.008 0.000 1.093 218 Y CA -1.008 57.091 58.100 -0.000 0.000 1.285 218 Y CB 0.484 38.935 38.460 -0.014 0.000 1.115 218 Y HN -0.079 nan 8.280 nan 0.000 0.533 219 I N 4.251 124.804 120.570 -0.027 0.000 2.742 219 I HA -0.060 4.110 4.170 0.000 0.000 0.287 219 I C 0.096 176.150 176.117 -0.105 0.000 1.186 219 I CA 0.526 61.762 61.300 -0.108 0.000 1.417 219 I CB 0.216 38.172 38.000 -0.073 0.000 1.377 219 I HN 0.127 nan 8.210 nan 0.000 0.556 220 R N 5.000 125.403 120.500 -0.161 0.000 2.205 220 R HA 0.388 4.728 4.340 0.000 0.000 0.342 220 R C -0.708 175.570 176.300 -0.037 0.000 1.058 220 R CA -0.845 55.212 56.100 -0.072 0.000 0.904 220 R CB 0.118 30.346 30.300 -0.120 0.000 1.089 220 R HN 0.466 nan 8.270 nan 0.000 0.471 221 H N 1.800 120.842 119.070 -0.047 0.000 2.964 221 H HA 0.174 4.731 4.556 0.000 0.000 0.328 221 H C 1.505 176.816 175.328 -0.029 0.000 1.030 221 H CA 1.608 57.639 56.048 -0.029 0.000 1.445 221 H CB 1.067 30.817 29.762 -0.020 0.000 1.449 221 H HN 0.982 nan 8.280 nan 0.000 0.581 222 G N 1.802 110.637 108.800 0.059 0.000 2.162 222 G HA2 -0.301 3.659 3.960 0.000 0.000 0.260 222 G HA3 -0.301 3.659 3.960 0.000 0.000 0.260 222 G C 0.578 175.479 174.900 0.002 0.000 0.976 222 G CA 0.075 45.191 45.100 0.028 0.000 0.655 222 G HN 0.973 nan 8.290 nan 0.000 0.533 223 A N 1.262 124.073 122.820 -0.015 0.000 2.517 223 A HA 0.498 4.818 4.320 0.000 0.000 0.284 223 A C 1.192 178.766 177.584 -0.018 0.000 1.195 223 A CA 1.587 53.611 52.037 -0.023 0.000 0.873 223 A CB -0.489 18.484 19.000 -0.044 0.000 1.055 223 A HN 1.953 nan 8.150 nan 0.000 0.538 224 T N 1.254 115.802 114.554 -0.009 0.000 2.918 224 T HA 0.232 4.582 4.350 0.000 0.000 0.302 224 T C 1.052 175.751 174.700 -0.002 0.000 1.045 224 T CA -0.347 61.750 62.100 -0.005 0.000 1.114 224 T CB 0.496 69.363 68.868 -0.001 0.000 0.965 224 T HN 0.540 nan 8.240 nan 0.000 0.540 225 L N 1.788 123.011 121.223 0.000 0.000 2.261 225 L HA 0.027 4.368 4.340 0.000 0.000 0.216 225 L C 1.980 178.856 176.870 0.010 0.000 1.114 225 L CA 1.768 56.612 54.840 0.007 0.000 0.777 225 L CB -0.721 41.343 42.059 0.008 0.000 0.910 225 L HN 0.786 nan 8.230 nan 0.000 0.440 226 D N -1.485 118.920 120.400 0.007 0.000 2.144 226 D HA -0.113 4.527 4.640 0.000 0.000 0.207 226 D C 2.397 178.701 176.300 0.008 0.000 0.970 226 D CA 1.374 55.379 54.000 0.008 0.000 0.853 226 D CB 0.051 40.855 40.800 0.006 0.000 1.007 226 D HN 0.457 nan 8.370 nan 0.000 0.469 227 S N 0.308 116.011 115.700 0.005 0.000 2.380 227 S HA -0.281 4.189 4.470 0.000 0.000 0.229 227 S C 2.037 176.641 174.600 0.008 0.000 1.043 227 S CA 1.476 59.679 58.200 0.005 0.000 1.038 227 S CB -0.477 62.724 63.200 0.001 0.000 0.872 227 S HN 0.121 nan 8.310 nan 0.000 0.456 228 M N 2.124 121.730 119.600 0.010 0.000 2.267 228 M HA 0.166 4.647 4.480 0.000 0.000 0.263 228 M C 1.930 178.244 176.300 0.023 0.000 1.063 228 M CA 1.353 56.664 55.300 0.018 0.000 1.090 228 M CB -0.692 31.921 32.600 0.020 0.000 1.392 228 M HN 0.529 nan 8.290 nan 0.000 0.422 229 A N -1.771 121.061 122.820 0.019 0.000 2.348 229 A HA 0.138 4.459 4.320 0.000 0.000 0.224 229 A C 1.512 179.105 177.584 0.016 0.000 1.227 229 A CA 0.038 52.087 52.037 0.020 0.000 0.885 229 A CB -0.300 18.711 19.000 0.018 0.000 0.933 229 A HN 0.466 nan 8.150 nan 0.000 0.506 230 K N -0.195 120.214 120.400 0.014 0.000 2.372 230 K HA 0.354 4.674 4.320 0.000 0.000 0.200 230 K C -0.459 176.147 176.600 0.011 0.000 1.022 230 K CA -0.076 56.218 56.287 0.011 0.000 1.125 230 K CB 0.256 32.761 32.500 0.008 0.000 0.855 230 K HN 0.395 nan 8.250 nan 0.000 0.524 231 L N 1.057 122.289 121.223 0.014 0.000 2.379 231 L HA 0.345 4.685 4.340 0.000 0.000 0.269 231 L C 0.141 177.018 176.870 0.012 0.000 1.084 231 L CA -0.899 53.949 54.840 0.014 0.000 0.802 231 L CB 0.850 42.922 42.059 0.021 0.000 1.175 231 L HN -0.095 nan 8.230 nan 0.000 0.448 232 R N 1.552 122.054 120.500 0.004 0.000 2.428 232 R HA 0.352 4.692 4.340 0.000 0.000 0.294 232 R C -2.400 173.899 176.300 -0.002 0.000 1.000 232 R CA -1.543 54.557 56.100 -0.000 0.000 0.960 232 R CB 0.416 30.710 30.300 -0.009 0.000 1.076 232 R HN 0.279 nan 8.270 nan 0.000 0.475 233 P HA 0.022 nan 4.420 nan 0.000 0.264 233 P C -0.144 177.147 177.300 -0.015 0.000 1.229 233 P CA 0.194 63.309 63.100 0.027 0.000 0.780 233 P CB 0.931 32.654 31.700 0.039 0.000 0.808 234 A N 2.714 125.497 122.820 -0.061 0.000 2.139 234 A HA -0.158 4.163 4.320 0.000 0.000 0.221 234 A C 0.825 178.003 177.584 -0.676 0.000 1.159 234 A CA 1.575 53.405 52.037 -0.346 0.000 0.662 234 A CB -1.019 17.726 19.000 -0.426 0.000 0.796 234 A HN 0.490 nan 8.150 nan 0.000 0.463 235 F N -2.037 117.874 119.950 -0.066 0.000 2.009 235 F HA 0.259 4.786 4.527 0.000 0.000 0.228 235 F C 0.526 176.294 175.800 -0.054 0.000 1.168 235 F CA -0.550 57.406 58.000 -0.074 0.000 1.286 235 F CB -0.202 38.725 39.000 -0.122 0.000 1.725 235 F HN -0.122 nan 8.300 nan 0.000 0.418 236 D N 1.930 122.433 120.400 0.173 0.000 2.344 236 D HA 0.070 4.710 4.640 0.000 0.000 0.253 236 D C 0.581 176.905 176.300 0.040 0.000 1.255 236 D CA 0.194 54.232 54.000 0.063 0.000 0.894 236 D CB 1.257 42.064 40.800 0.012 0.000 1.067 236 D HN -0.027 nan 8.370 nan 0.000 0.492 237 K N 1.892 122.308 120.400 0.027 0.000 2.520 237 K HA -0.150 4.170 4.320 0.000 0.000 0.197 237 K C 0.979 177.587 176.600 0.013 0.000 1.043 237 K CA 0.807 57.103 56.287 0.016 0.000 0.944 237 K CB 0.081 32.587 32.500 0.011 0.000 0.770 237 K HN 0.618 nan 8.250 nan 0.000 0.480 238 E N -2.807 117.401 120.200 0.013 0.000 3.085 238 E HA 0.130 4.481 4.350 0.000 0.000 0.179 238 E C 0.781 177.386 176.600 0.007 0.000 0.951 238 E CA -0.079 56.327 56.400 0.010 0.000 1.326 238 E CB -0.006 29.699 29.700 0.007 0.000 1.043 238 E HN 0.056 nan 8.360 nan 0.000 0.457 239 G N 1.089 109.894 108.800 0.009 0.000 2.587 239 G HA2 -0.026 3.934 3.960 0.000 0.000 0.197 239 G HA3 -0.026 3.934 3.960 0.000 0.000 0.197 239 G C 0.968 175.872 174.900 0.006 0.000 1.540 239 G CA 1.977 47.076 45.100 -0.001 0.000 0.910 239 G HN 0.257 nan 8.290 nan 0.000 0.437 240 T N -2.735 111.829 114.554 0.016 0.000 3.607 240 T HA 0.069 4.420 4.350 0.000 0.000 0.295 240 T C 0.233 174.965 174.700 0.054 0.000 0.884 240 T CA 0.283 62.399 62.100 0.026 0.000 1.041 240 T CB -0.360 68.515 68.868 0.012 0.000 1.172 240 T HN 0.174 nan 8.240 nan 0.000 0.536 241 V N 4.773 124.730 119.914 0.072 0.000 2.529 241 V HA 0.451 4.571 4.120 0.000 0.000 0.292 241 V C 1.048 177.251 176.094 0.182 0.000 1.028 241 V CA 0.527 62.907 62.300 0.133 0.000 1.074 241 V CB 0.451 32.341 31.823 0.113 0.000 0.958 241 V HN 0.749 nan 8.190 nan 0.000 0.481 242 T N 2.048 116.694 114.554 0.153 0.000 2.841 242 T HA 0.712 5.062 4.350 0.000 0.000 0.276 242 T C 1.177 175.958 174.700 0.135 0.000 1.003 242 T CA -0.095 62.070 62.100 0.109 0.000 0.995 242 T CB 1.850 70.759 68.868 0.068 0.000 1.260 242 T HN 0.605 nan 8.240 nan 0.000 0.581 243 A N 0.394 123.262 122.820 0.080 0.000 1.873 243 A HA 0.218 4.538 4.320 0.000 0.000 0.215 243 A C 2.446 180.093 177.584 0.106 0.000 1.186 243 A CA 2.024 54.117 52.037 0.095 0.000 0.616 243 A CB -1.888 17.148 19.000 0.060 0.000 0.823 243 A HN 1.189 nan 8.150 nan 0.000 0.442 244 G N 1.381 110.227 108.800 0.077 0.000 2.681 244 G HA2 -0.380 3.580 3.960 0.000 0.000 0.220 244 G HA3 -0.380 3.580 3.960 0.000 0.000 0.220 244 G C 0.905 175.857 174.900 0.085 0.000 1.210 244 G CA 1.419 46.556 45.100 0.062 0.000 0.783 244 G HN 0.793 nan 8.290 nan 0.000 0.609 245 N N 0.732 119.501 118.700 0.116 0.000 2.378 245 N HA 0.543 5.283 4.740 0.000 0.000 0.243 245 N C -0.188 175.424 175.510 0.169 0.000 1.137 245 N CA 0.306 53.443 53.050 0.146 0.000 0.862 245 N CB 0.551 39.129 38.487 0.150 0.000 1.116 245 N HN 0.466 nan 8.380 nan 0.000 0.499 246 A N -1.054 121.863 122.820 0.162 0.000 2.486 246 A HA 0.635 4.955 4.320 0.000 0.000 0.300 246 A C -0.315 177.297 177.584 0.048 0.000 1.048 246 A CA -0.754 51.366 52.037 0.139 0.000 0.696 246 A CB 1.253 20.510 19.000 0.427 0.000 1.278 246 A HN 0.134 nan 8.150 nan 0.000 0.405 247 S N 0.609 116.222 115.700 -0.146 0.000 2.563 247 S HA 0.426 4.897 4.470 0.000 0.000 0.284 247 S C 1.155 175.745 174.600 -0.017 0.000 1.331 247 S CA 0.580 58.736 58.200 -0.073 0.000 1.047 247 S CB 0.435 63.496 63.200 -0.232 0.000 0.859 247 S HN 1.314 nan 8.310 nan 0.000 0.514 248 G N 2.720 111.517 108.800 -0.005 0.000 2.928 248 G HA2 0.512 4.472 3.960 0.000 0.000 0.163 248 G HA3 0.512 4.472 3.960 0.000 0.000 0.163 248 G C -1.043 173.727 174.900 -0.215 0.000 1.573 248 G CA -0.523 44.529 45.100 -0.079 0.000 1.084 248 G HN 0.654 nan 8.290 nan 0.000 0.569 249 L N 0.572 121.602 121.223 -0.321 0.000 2.381 249 L HA 0.529 4.869 4.340 0.000 0.000 0.274 249 L C -0.850 175.809 176.870 -0.352 0.000 0.988 249 L CA -0.714 53.881 54.840 -0.408 0.000 0.824 249 L CB 2.241 43.834 42.059 -0.777 0.000 1.263 249 L HN 0.555 nan 8.230 nan 0.000 0.410 250 N N 0.669 119.221 118.700 -0.245 0.000 3.316 250 N HA 0.649 5.389 4.740 0.000 0.000 0.300 250 N C -1.865 173.616 175.510 -0.047 0.000 1.567 250 N CA -1.101 51.865 53.050 -0.141 0.000 0.821 250 N CB 1.245 39.601 38.487 -0.219 0.000 1.748 250 N HN 0.403 nan 8.380 nan 0.000 0.603 251 D N -1.416 118.991 120.400 0.012 0.000 2.645 251 D HA 0.733 5.373 4.640 0.000 0.000 0.228 251 D C -0.379 175.944 176.300 0.040 0.000 1.148 251 D CA -0.502 53.523 54.000 0.042 0.000 0.860 251 D CB 2.216 43.091 40.800 0.125 0.000 1.548 251 D HN 0.719 nan 8.370 nan 0.000 0.460 252 G N -0.935 107.835 108.800 -0.049 0.000 2.320 252 G HA2 0.605 4.566 3.960 0.000 0.000 0.297 252 G HA3 0.605 4.566 3.960 0.000 0.000 0.297 252 G C -1.984 172.836 174.900 -0.133 0.000 1.344 252 G CA -0.085 44.958 45.100 -0.095 0.000 0.851 252 G HN 0.692 nan 8.290 nan 0.000 0.567 253 A N -1.289 121.451 122.820 -0.134 0.000 2.564 253 A HA 1.198 5.519 4.320 0.000 0.000 0.288 253 A C -0.382 177.159 177.584 -0.072 0.000 1.164 253 A CA 0.073 52.046 52.037 -0.107 0.000 0.712 253 A CB 1.439 20.365 19.000 -0.122 0.000 1.303 253 A HN 2.714 nan 8.150 nan 0.000 0.418 254 A N -1.037 121.748 122.820 -0.058 0.000 2.560 254 A HA 0.851 5.171 4.320 0.000 0.000 0.300 254 A C -0.611 176.953 177.584 -0.033 0.000 1.062 254 A CA 0.358 52.376 52.037 -0.032 0.000 0.767 254 A CB 0.365 19.349 19.000 -0.026 0.000 1.288 254 A HN 2.638 nan 8.150 nan 0.000 0.396 255 A N 0.496 123.308 122.820 -0.013 0.000 2.564 255 A HA 1.107 5.427 4.320 0.000 0.000 0.288 255 A C -0.394 177.187 177.584 -0.004 0.000 1.164 255 A CA -0.178 51.845 52.037 -0.025 0.000 0.712 255 A CB 1.375 20.355 19.000 -0.033 0.000 1.303 255 A HN 2.698 nan 8.150 nan 0.000 0.418 256 A N -0.046 122.761 122.820 -0.022 0.000 2.488 256 A HA 0.654 4.975 4.320 0.000 0.000 0.298 256 A C -1.332 176.238 177.584 -0.023 0.000 1.044 256 A CA -0.311 51.718 52.037 -0.013 0.000 0.693 256 A CB 1.042 20.030 19.000 -0.020 0.000 1.272 256 A HN 1.335 nan 8.150 nan 0.000 0.402 257 L N 3.019 124.235 121.223 -0.011 0.000 2.281 257 L HA 0.495 4.835 4.340 0.000 0.000 0.285 257 L C -1.279 175.584 176.870 -0.012 0.000 1.074 257 L CA -0.700 54.133 54.840 -0.012 0.000 0.817 257 L CB 0.571 42.630 42.059 -0.002 0.000 1.168 257 L HN 0.584 nan 8.230 nan 0.000 0.434 258 L N 6.377 127.592 121.223 -0.013 0.000 2.334 258 L HA 0.677 5.017 4.340 0.000 0.000 0.273 258 L C 0.038 176.909 176.870 0.002 0.000 1.013 258 L CA -0.391 54.445 54.840 -0.007 0.000 0.816 258 L CB 1.565 43.618 42.059 -0.010 0.000 1.278 258 L HN 0.762 nan 8.230 nan 0.000 0.431 259 M N -0.256 119.348 119.600 0.006 0.000 3.084 259 M HA 0.549 5.029 4.480 0.000 0.000 0.273 259 M C -0.694 175.615 176.300 0.014 0.000 1.242 259 M CA -0.776 54.530 55.300 0.010 0.000 0.819 259 M CB 2.057 34.662 32.600 0.009 0.000 1.625 259 M HN 0.416 nan 8.290 nan 0.000 0.493 260 S N -0.163 115.546 115.700 0.015 0.000 2.565 260 S HA 0.168 4.638 4.470 0.000 0.000 0.276 260 S C 0.661 175.270 174.600 0.015 0.000 1.326 260 S CA 0.353 58.563 58.200 0.017 0.000 1.045 260 S CB 1.264 64.474 63.200 0.017 0.000 0.918 260 S HN 0.951 nan 8.310 nan 0.000 0.505 261 E N 2.985 123.195 120.200 0.017 0.000 2.187 261 E HA -0.225 4.125 4.350 0.000 0.000 0.199 261 E C 1.998 178.607 176.600 0.014 0.000 1.004 261 E CA 1.540 57.949 56.400 0.016 0.000 0.813 261 E CB -0.543 29.169 29.700 0.020 0.000 0.736 261 E HN 0.905 nan 8.360 nan 0.000 0.468 262 A N 0.517 123.346 122.820 0.014 0.000 1.930 262 A HA -0.204 4.117 4.320 0.000 0.000 0.217 262 A C 2.019 179.610 177.584 0.011 0.000 1.175 262 A CA 1.665 53.709 52.037 0.012 0.000 0.627 262 A CB -0.475 18.533 19.000 0.013 0.000 0.815 262 A HN 0.365 nan 8.150 nan 0.000 0.443 263 E N 0.226 120.433 120.200 0.011 0.000 2.028 263 E HA 0.004 4.355 4.350 0.000 0.000 0.190 263 E C 2.039 178.644 176.600 0.009 0.000 0.984 263 E CA 1.498 57.905 56.400 0.010 0.000 0.800 263 E CB -0.481 29.226 29.700 0.011 0.000 0.758 263 E HN 0.405 nan 8.360 nan 0.000 0.448 264 A N 0.229 123.054 122.820 0.009 0.000 1.948 264 A HA -0.243 4.077 4.320 0.000 0.000 0.220 264 A C 2.463 180.051 177.584 0.007 0.000 1.177 264 A CA 2.077 54.118 52.037 0.007 0.000 0.636 264 A CB -1.167 17.836 19.000 0.005 0.000 0.815 264 A HN 0.345 nan 8.150 nan 0.000 0.449 265 S N -0.919 114.786 115.700 0.008 0.000 2.353 265 S HA -0.211 4.259 4.470 0.000 0.000 0.222 265 S C 2.153 176.758 174.600 0.007 0.000 1.035 265 S CA 1.568 59.773 58.200 0.008 0.000 1.025 265 S CB -0.334 62.871 63.200 0.009 0.000 0.902 265 S HN 0.623 nan 8.310 nan 0.000 0.440 266 R N 0.131 120.636 120.500 0.008 0.000 2.133 266 R HA -0.074 4.267 4.340 0.000 0.000 0.247 266 R C 2.024 178.328 176.300 0.007 0.000 1.151 266 R CA 1.665 57.770 56.100 0.008 0.000 0.971 266 R CB -0.155 30.149 30.300 0.008 0.000 0.866 266 R HN 0.361 nan 8.270 nan 0.000 0.447 267 R N -1.399 119.106 120.500 0.007 0.000 2.362 267 R HA 0.159 4.500 4.340 0.000 0.000 0.227 267 R C 0.994 177.298 176.300 0.007 0.000 0.905 267 R CA 0.490 56.594 56.100 0.007 0.000 1.067 267 R CB 0.993 31.297 30.300 0.008 0.000 1.078 267 R HN 0.350 nan 8.270 nan 0.000 0.516 268 G N 1.564 110.368 108.800 0.007 0.000 2.184 268 G HA2 -0.289 3.671 3.960 0.000 0.000 0.264 268 G HA3 -0.289 3.671 3.960 0.000 0.000 0.264 268 G C 0.210 175.114 174.900 0.007 0.000 0.975 268 G CA -0.067 45.037 45.100 0.007 0.000 0.642 268 G HN 0.257 nan 8.290 nan 0.000 0.536 269 I N 1.149 121.723 120.570 0.007 0.000 2.533 269 I HA 0.194 4.365 4.170 0.000 0.000 0.284 269 I C 0.457 176.575 176.117 0.002 0.000 1.109 269 I CA -0.061 61.242 61.300 0.006 0.000 1.412 269 I CB 0.904 38.907 38.000 0.005 0.000 1.396 269 I HN -0.050 nan 8.210 nan 0.000 0.543 270 Q N 7.484 127.284 119.800 0.000 0.000 2.571 270 Q HA 0.337 4.678 4.340 0.000 0.000 0.222 270 Q C -2.103 173.887 176.000 -0.016 0.000 1.167 270 Q CA -1.734 54.066 55.803 -0.005 0.000 0.966 270 Q CB 0.425 29.161 28.738 -0.002 0.000 1.274 270 Q HN 0.396 nan 8.270 nan 0.000 0.552 271 P HA -0.087 nan 4.420 nan 0.000 0.270 271 P C 0.568 177.836 177.300 -0.054 0.000 1.216 271 P CA -0.241 62.842 63.100 -0.028 0.000 0.788 271 P CB 0.791 32.482 31.700 -0.015 0.000 0.883 272 L N -0.514 120.660 121.223 -0.082 0.000 2.477 272 L HA 0.373 4.714 4.340 0.000 0.000 0.220 272 L C 1.291 178.105 176.870 -0.093 0.000 1.106 272 L CA 1.186 55.943 54.840 -0.138 0.000 0.851 272 L CB -0.996 40.919 42.059 -0.240 0.000 0.994 272 L HN 0.700 nan 8.230 nan 0.000 0.462 273 G N -1.079 107.693 108.800 -0.047 0.000 2.340 273 G HA2 0.412 4.372 3.960 0.000 0.000 0.299 273 G HA3 0.412 4.372 3.960 0.000 0.000 0.299 273 G C -1.476 173.433 174.900 0.015 0.000 1.291 273 G CA -0.843 44.252 45.100 -0.009 0.000 0.841 273 G HN -0.094 nan 8.290 nan 0.000 0.500 274 R N -0.221 120.307 120.500 0.046 0.000 2.522 274 R HA 0.457 4.797 4.340 0.000 0.000 0.283 274 R C -1.047 175.298 176.300 0.075 0.000 1.074 274 R CA -0.824 55.309 56.100 0.054 0.000 0.925 274 R CB 1.307 31.641 30.300 0.056 0.000 1.205 274 R HN 0.446 nan 8.270 nan 0.000 0.436 275 I N 6.365 126.973 120.570 0.063 0.000 2.357 275 I HA -0.004 4.166 4.170 0.000 0.000 0.300 275 I C 1.880 178.030 176.117 0.056 0.000 1.159 275 I CA -0.181 61.162 61.300 0.072 0.000 1.339 275 I CB 1.043 39.092 38.000 0.081 0.000 1.458 275 I HN 0.540 nan 8.210 nan 0.000 0.577 276 V N 2.904 122.832 119.914 0.023 0.000 2.667 276 V HA -0.004 4.116 4.120 0.000 0.000 0.252 276 V C 0.851 176.862 176.094 -0.139 0.000 1.065 276 V CA 1.496 63.757 62.300 -0.065 0.000 1.083 276 V CB -0.393 31.370 31.823 -0.101 0.000 0.692 276 V HN 0.807 nan 8.190 nan 0.000 0.468 277 S N -1.066 114.565 115.700 -0.115 0.000 2.633 277 S HA 0.510 4.981 4.470 0.000 0.000 0.271 277 S C -1.349 173.273 174.600 0.037 0.000 1.112 277 S CA -0.388 57.749 58.200 -0.103 0.000 0.828 277 S CB 0.775 63.827 63.200 -0.247 0.000 1.086 277 S HN 1.371 nan 8.310 nan 0.000 0.461 278 W N 0.820 122.081 121.300 -0.064 0.000 3.107 278 W HA 0.871 5.531 4.660 0.001 0.000 0.331 278 W C -1.168 175.337 176.519 -0.023 0.000 1.204 278 W CA -0.839 56.487 57.345 -0.032 0.000 1.184 278 W CB 1.189 30.640 29.460 -0.015 0.000 1.421 278 W HN 1.351 nan 8.180 nan 0.000 0.544 279 A N 1.312 124.263 122.820 0.218 0.000 2.593 279 A HA 0.824 5.144 4.320 0.000 0.000 0.290 279 A C -1.478 176.278 177.584 0.286 0.000 1.126 279 A CA -0.689 51.379 52.037 0.051 0.000 0.695 279 A CB 1.892 20.836 19.000 -0.093 0.000 1.290 279 A HN 0.693 nan 8.150 nan 0.000 0.414 280 T N -0.204 114.477 114.554 0.211 0.000 3.105 280 T HA 0.596 4.946 4.350 0.000 0.000 0.321 280 T C -1.860 172.910 174.700 0.117 0.000 1.135 280 T CA -0.198 62.026 62.100 0.206 0.000 1.053 280 T CB 1.105 70.150 68.868 0.295 0.000 1.133 280 T HN 1.214 nan 8.240 nan 0.000 0.463 281 V N 2.655 122.622 119.914 0.088 0.000 3.087 281 V HA 0.886 5.007 4.120 0.000 0.000 0.306 281 V C 0.431 176.553 176.094 0.046 0.000 1.187 281 V CA -0.664 61.669 62.300 0.054 0.000 0.999 281 V CB 2.409 34.255 31.823 0.038 0.000 1.049 281 V HN 1.077 nan 8.190 nan 0.000 0.431 282 G N 1.250 110.066 108.800 0.027 0.000 2.416 282 G HA2 0.780 4.740 3.960 0.000 0.000 0.329 282 G HA3 0.780 4.740 3.960 0.000 0.000 0.329 282 G C -0.834 174.065 174.900 -0.001 0.000 1.173 282 G CA -0.300 44.807 45.100 0.011 0.000 0.929 282 G HN 1.120 nan 8.290 nan 0.000 0.475 283 V N -1.293 118.616 119.914 -0.007 0.000 3.105 283 V HA 0.627 4.747 4.120 0.000 0.000 0.311 283 V C -0.610 175.467 176.094 -0.027 0.000 1.287 283 V CA -1.293 61.001 62.300 -0.010 0.000 1.066 283 V CB 1.733 33.561 31.823 0.009 0.000 1.105 283 V HN 0.568 nan 8.190 nan 0.000 0.462 284 D N 2.365 122.755 120.400 -0.017 0.000 2.401 284 D HA 0.224 4.865 4.640 0.000 0.000 0.254 284 D C -1.414 174.880 176.300 -0.010 0.000 1.192 284 D CA -1.321 52.671 54.000 -0.015 0.000 0.885 284 D CB 1.952 42.749 40.800 -0.005 0.000 1.147 284 D HN 0.463 nan 8.370 nan 0.000 0.478 285 P HA -0.180 nan 4.420 nan 0.000 0.218 285 P C 0.940 178.258 177.300 0.031 0.000 1.146 285 P CA 1.122 64.247 63.100 0.042 0.000 0.813 285 P CB 0.368 32.131 31.700 0.106 0.000 0.778 286 K N 0.018 120.366 120.400 -0.086 0.000 2.147 286 K HA -0.038 4.282 4.320 0.000 0.000 0.205 286 K C 1.392 177.922 176.600 -0.116 0.000 1.049 286 K CA 1.580 57.737 56.287 -0.217 0.000 0.936 286 K CB -0.245 32.048 32.500 -0.345 0.000 0.722 286 K HN 0.200 nan 8.250 nan 0.000 0.446 287 V N -0.641 119.233 119.914 -0.067 0.000 2.804 287 V HA 0.119 4.239 4.120 0.000 0.000 0.360 287 V C 1.085 177.178 176.094 -0.002 0.000 1.282 287 V CA -0.470 61.804 62.300 -0.042 0.000 1.274 287 V CB -0.053 31.750 31.823 -0.033 0.000 1.415 287 V HN 0.135 nan 8.190 nan 0.000 0.610 288 M N 0.715 120.318 119.600 0.006 0.000 2.267 288 M HA 0.141 4.621 4.480 0.000 0.000 0.263 288 M C 1.752 178.086 176.300 0.057 0.000 1.063 288 M CA 2.523 57.845 55.300 0.036 0.000 1.090 288 M CB -1.446 31.188 32.600 0.056 0.000 1.392 288 M HN 0.287 nan 8.290 nan 0.000 0.422 289 G N 0.011 108.843 108.800 0.054 0.000 2.559 289 G HA2 -0.099 3.861 3.960 0.000 0.000 0.216 289 G HA3 -0.099 3.861 3.960 0.000 0.000 0.216 289 G C 1.334 176.279 174.900 0.076 0.000 1.126 289 G CA 0.971 46.117 45.100 0.077 0.000 0.778 289 G HN 0.719 nan 8.290 nan 0.000 0.543 290 T N -1.947 112.654 114.554 0.077 0.000 3.324 290 T HA 0.345 4.696 4.350 0.000 0.000 0.250 290 T C 2.026 176.771 174.700 0.075 0.000 1.059 290 T CA 0.634 62.788 62.100 0.090 0.000 0.951 290 T CB 0.612 69.550 68.868 0.116 0.000 1.030 290 T HN 0.091 nan 8.240 nan 0.000 0.576 291 G N 2.766 111.612 108.800 0.076 0.000 2.453 291 G HA2 -0.068 3.892 3.960 0.000 0.000 0.215 291 G HA3 -0.068 3.892 3.960 0.000 0.000 0.215 291 G C -0.655 174.295 174.900 0.083 0.000 1.201 291 G CA 0.449 45.594 45.100 0.076 0.000 0.784 291 G HN 0.458 nan 8.290 nan 0.000 0.545 292 P HA -0.042 nan 4.420 nan 0.000 0.218 292 P C 1.826 179.179 177.300 0.088 0.000 1.148 292 P CA 0.659 63.831 63.100 0.120 0.000 0.822 292 P CB -0.026 31.770 31.700 0.158 0.000 0.784 293 I N 0.556 121.156 120.570 0.049 0.000 2.076 293 I HA -0.182 3.988 4.170 0.000 0.000 0.237 293 I C -0.404 175.719 176.117 0.009 0.000 1.059 293 I CA 2.151 63.452 61.300 0.001 0.000 1.317 293 I CB -2.007 36.000 38.000 0.011 0.000 1.037 293 I HN 0.034 nan 8.210 nan 0.000 0.398 294 P HA -0.201 nan 4.420 nan 0.000 0.215 294 P C 1.394 178.713 177.300 0.031 0.000 1.153 294 P CA 2.174 65.287 63.100 0.022 0.000 0.853 294 P CB -0.117 31.599 31.700 0.026 0.000 0.788 295 A N 0.227 123.080 122.820 0.055 0.000 1.851 295 A HA -0.183 4.137 4.320 0.000 0.000 0.216 295 A C 2.545 180.178 177.584 0.081 0.000 1.195 295 A CA 2.487 54.569 52.037 0.075 0.000 0.622 295 A CB -1.645 17.417 19.000 0.103 0.000 0.831 295 A HN 0.159 nan 8.150 nan 0.000 0.444 296 S N -0.326 115.438 115.700 0.106 0.000 2.374 296 S HA -0.204 4.266 4.470 0.000 0.000 0.227 296 S C 2.044 176.693 174.600 0.082 0.000 1.037 296 S CA 1.773 60.057 58.200 0.141 0.000 1.024 296 S CB -0.345 62.981 63.200 0.210 0.000 0.861 296 S HN 0.620 nan 8.310 nan 0.000 0.456 297 R N 0.933 121.453 120.500 0.033 0.000 2.148 297 R HA 0.102 4.442 4.340 0.000 0.000 0.223 297 R C 2.310 178.607 176.300 -0.005 0.000 1.088 297 R CA 0.610 56.716 56.100 0.011 0.000 0.985 297 R CB -0.122 30.172 30.300 -0.012 0.000 0.880 297 R HN 0.099 nan 8.270 nan 0.000 0.451 298 K N 1.282 121.675 120.400 -0.011 0.000 2.057 298 K HA -0.066 4.254 4.320 0.000 0.000 0.207 298 K C 1.977 178.532 176.600 -0.074 0.000 1.049 298 K CA 1.686 57.946 56.287 -0.045 0.000 0.931 298 K CB -0.261 32.211 32.500 -0.047 0.000 0.714 298 K HN 0.175 nan 8.250 nan 0.000 0.440 299 A N 1.291 124.084 122.820 -0.045 0.000 1.883 299 A HA -0.145 4.176 4.320 0.000 0.000 0.217 299 A C 2.354 179.865 177.584 -0.122 0.000 1.186 299 A CA 1.481 53.471 52.037 -0.079 0.000 0.624 299 A CB -0.645 18.355 19.000 -0.002 0.000 0.822 299 A HN 0.308 nan 8.150 nan 0.000 0.444 300 L N -0.774 120.420 121.223 -0.048 0.000 2.201 300 L HA -0.154 4.186 4.340 0.000 0.000 0.212 300 L C 2.588 179.418 176.870 -0.067 0.000 1.105 300 L CA 1.503 56.322 54.840 -0.034 0.000 0.775 300 L CB -0.487 41.628 42.059 0.092 0.000 0.913 300 L HN 0.616 nan 8.230 nan 0.000 0.440 301 E N 0.868 121.029 120.200 -0.066 0.000 2.072 301 E HA -0.219 4.132 4.350 0.000 0.000 0.191 301 E C 2.303 178.833 176.600 -0.118 0.000 0.985 301 E CA 1.054 57.411 56.400 -0.071 0.000 0.801 301 E CB 0.142 29.805 29.700 -0.062 0.000 0.750 301 E HN 0.410 nan 8.360 nan 0.000 0.452 302 R N -0.222 120.180 120.500 -0.163 0.000 2.115 302 R HA 0.020 4.361 4.340 0.000 0.000 0.226 302 R C 2.254 178.402 176.300 -0.254 0.000 1.100 302 R CA 0.973 56.953 56.100 -0.201 0.000 0.980 302 R CB -0.065 30.089 30.300 -0.245 0.000 0.875 302 R HN 0.144 nan 8.270 nan 0.000 0.445 303 A N -0.348 122.257 122.820 -0.358 0.000 2.016 303 A HA 0.163 4.483 4.320 0.000 0.000 0.217 303 A C 1.661 178.917 177.584 -0.546 0.000 1.162 303 A CA 1.132 52.788 52.037 -0.635 0.000 0.662 303 A CB -0.170 18.154 19.000 -1.128 0.000 0.812 303 A HN 0.436 nan 8.150 nan 0.000 0.450 304 G N -3.282 105.353 108.800 -0.275 0.000 2.175 304 G HA2 -0.222 3.738 3.960 0.000 0.000 0.244 304 G HA3 -0.222 3.738 3.960 0.000 0.000 0.244 304 G C -0.044 174.933 174.900 0.128 0.000 0.982 304 G CA 0.243 45.304 45.100 -0.064 0.000 0.641 304 G HN 0.373 nan 8.290 nan 0.000 0.527 305 W N 0.894 122.207 121.300 0.021 0.000 2.332 305 W HA 0.757 5.417 4.660 0.000 0.000 0.351 305 W C 0.640 177.178 176.519 0.032 0.000 1.195 305 W CA -1.182 56.180 57.345 0.030 0.000 1.334 305 W CB 0.415 29.901 29.460 0.042 0.000 1.206 305 W HN 0.064 nan 8.180 nan 0.000 0.637 306 K N 0.752 121.320 120.400 0.280 0.000 2.166 306 K HA 0.398 4.718 4.320 0.000 0.000 0.245 306 K C 1.254 177.968 176.600 0.190 0.000 0.967 306 K CA -0.837 55.553 56.287 0.173 0.000 0.863 306 K CB 1.894 34.460 32.500 0.110 0.000 1.107 306 K HN 0.200 nan 8.250 nan 0.000 0.436 307 I N 0.941 121.601 120.570 0.150 0.000 2.194 307 I HA -0.252 3.919 4.170 0.000 0.000 0.246 307 I C 1.943 178.172 176.117 0.187 0.000 1.093 307 I CA 1.805 63.215 61.300 0.184 0.000 1.355 307 I CB -0.507 37.552 38.000 0.098 0.000 1.046 307 I HN 0.938 nan 8.210 nan 0.000 0.413 308 G N -0.060 108.813 108.800 0.121 0.000 2.807 308 G HA2 -0.152 3.809 3.960 0.000 0.000 0.207 308 G HA3 -0.152 3.809 3.960 0.000 0.000 0.207 308 G C 0.976 175.906 174.900 0.050 0.000 1.151 308 G CA 0.277 45.431 45.100 0.090 0.000 0.800 308 G HN 0.326 nan 8.290 nan 0.000 0.523 309 D N 0.151 120.579 120.400 0.048 0.000 2.323 309 D HA 0.033 4.673 4.640 0.000 0.000 0.209 309 D C 1.247 177.467 176.300 -0.134 0.000 0.973 309 D CA 0.077 54.033 54.000 -0.072 0.000 0.874 309 D CB 0.243 40.963 40.800 -0.134 0.000 0.930 309 D HN 0.260 nan 8.370 nan 0.000 0.521 310 L N 1.373 122.589 121.223 -0.011 0.000 2.418 310 L HA 0.056 4.396 4.340 0.000 0.000 0.274 310 L C 0.973 177.809 176.870 -0.057 0.000 1.135 310 L CA -0.165 54.660 54.840 -0.024 0.000 0.870 310 L CB 0.780 42.906 42.059 0.112 0.000 1.154 310 L HN -0.262 nan 8.230 nan 0.000 0.462 311 D N 2.112 122.449 120.400 -0.105 0.000 2.240 311 D HA 0.130 4.771 4.640 0.000 0.000 0.206 311 D C -0.321 175.930 176.300 -0.081 0.000 0.963 311 D CA 0.900 54.848 54.000 -0.087 0.000 0.863 311 D CB 0.409 41.149 40.800 -0.099 0.000 0.973 311 D HN 0.167 nan 8.370 nan 0.000 0.501 312 L N 0.327 121.493 121.223 -0.094 0.000 2.493 312 L HA 0.412 4.752 4.340 0.000 0.000 0.265 312 L C -1.619 175.154 176.870 -0.161 0.000 0.954 312 L CA -0.772 54.003 54.840 -0.109 0.000 0.844 312 L CB 2.176 44.193 42.059 -0.071 0.000 1.302 312 L HN -0.290 nan 8.230 nan 0.000 0.405 313 V N 2.987 122.744 119.914 -0.261 0.000 2.555 313 V HA 0.642 4.763 4.120 0.000 0.000 0.302 313 V C -0.620 175.325 176.094 -0.248 0.000 1.038 313 V CA -0.714 61.355 62.300 -0.385 0.000 0.887 313 V CB 1.848 33.126 31.823 -0.908 0.000 0.991 313 V HN 0.623 nan 8.190 nan 0.000 0.434 314 E N 2.971 123.072 120.200 -0.166 0.000 2.207 314 E HA 0.624 4.975 4.350 0.000 0.000 0.250 314 E C -0.655 175.927 176.600 -0.030 0.000 0.890 314 E CA -0.251 56.108 56.400 -0.067 0.000 0.749 314 E CB 2.023 31.719 29.700 -0.007 0.000 1.193 314 E HN 0.828 nan 8.360 nan 0.000 0.423 315 A N 3.193 126.013 122.820 -0.000 0.000 2.287 315 A HA 0.285 4.605 4.320 0.000 0.000 0.317 315 A C -0.411 177.275 177.584 0.170 0.000 1.220 315 A CA -0.715 51.386 52.037 0.106 0.000 0.835 315 A CB 0.302 19.398 19.000 0.159 0.000 1.180 315 A HN 0.603 nan 8.150 nan 0.000 0.500 316 H N 1.917 121.029 119.070 0.070 0.000 3.157 316 H HA 0.057 4.613 4.556 0.000 0.000 0.299 316 H C 0.022 175.395 175.328 0.074 0.000 0.961 316 H CA 0.851 56.932 56.048 0.055 0.000 1.428 316 H CB 0.304 30.090 29.762 0.040 0.000 1.459 316 H HN 0.646 nan 8.280 nan 0.000 0.566 317 E N 5.227 125.329 120.200 -0.163 0.000 2.028 317 E HA 0.237 4.588 4.350 0.000 0.000 0.275 317 E C 1.007 177.320 176.600 -0.478 0.000 1.171 317 E CA 0.049 56.356 56.400 -0.156 0.000 1.186 317 E CB 0.543 30.324 29.700 0.135 0.000 1.256 317 E HN 0.752 nan 8.360 nan 0.000 0.474 318 A N 2.385 124.753 122.820 -0.753 0.000 1.865 318 A HA -0.112 4.208 4.320 0.000 0.000 0.217 318 A C 0.395 177.471 177.584 -0.847 0.000 1.191 318 A CA 1.186 52.747 52.037 -0.793 0.000 0.623 318 A CB -0.096 18.680 19.000 -0.373 0.000 0.826 318 A HN 0.426 nan 8.150 nan 0.000 0.444 319 F N -3.513 116.363 119.950 -0.124 0.000 2.557 319 F HA 0.586 5.114 4.527 0.000 0.000 0.316 319 F C 1.104 176.814 175.800 -0.150 0.000 1.141 319 F CA -0.486 57.466 58.000 -0.080 0.000 0.922 319 F CB 1.509 40.467 39.000 -0.071 0.000 1.194 319 F HN 0.174 nan 8.300 nan 0.000 0.443 320 A N 2.591 125.415 122.820 0.007 0.000 1.923 320 A HA -0.297 4.023 4.320 0.000 0.000 0.222 320 A C 2.368 179.730 177.584 -0.368 0.000 1.258 320 A CA 2.942 54.796 52.037 -0.305 0.000 0.670 320 A CB -1.234 17.720 19.000 -0.076 0.000 0.834 320 A HN 1.013 nan 8.150 nan 0.000 0.470 321 A N -0.188 122.552 122.820 -0.134 0.000 1.884 321 A HA -0.300 4.021 4.320 0.000 0.000 0.219 321 A C 2.132 179.623 177.584 -0.155 0.000 1.197 321 A CA 2.778 54.737 52.037 -0.129 0.000 0.637 321 A CB -0.784 18.174 19.000 -0.070 0.000 0.827 321 A HN 0.853 nan 8.150 nan 0.000 0.450 322 Q N -0.348 119.403 119.800 -0.082 0.000 2.230 322 Q HA 0.281 4.622 4.340 0.000 0.000 0.202 322 Q C 1.810 177.733 176.000 -0.128 0.000 0.963 322 Q CA 1.839 57.604 55.803 -0.063 0.000 0.866 322 Q CB -0.982 27.778 28.738 0.036 0.000 0.931 322 Q HN 0.508 nan 8.270 nan 0.000 0.452 323 A N 0.758 123.454 122.820 -0.206 0.000 1.883 323 A HA -0.214 4.106 4.320 0.000 0.000 0.217 323 A C 2.314 179.722 177.584 -0.292 0.000 1.186 323 A CA 1.666 53.554 52.037 -0.247 0.000 0.624 323 A CB -1.210 17.527 19.000 -0.439 0.000 0.822 323 A HN 0.648 nan 8.150 nan 0.000 0.444 324 C N -1.021 117.988 119.300 -0.486 0.000 2.466 324 C HA 0.195 4.655 4.460 0.000 0.000 0.278 324 C C 3.251 178.004 174.990 -0.395 0.000 1.288 324 C CA 0.261 59.058 59.018 -0.368 0.000 1.722 324 C CB -1.500 26.015 27.740 -0.374 0.000 2.017 324 C HN 0.718 nan 8.230 nan 0.000 0.488 325 A N 1.295 123.831 122.820 -0.473 0.000 1.903 325 A HA -0.190 4.131 4.320 0.000 0.000 0.219 325 A C 2.276 179.528 177.584 -0.553 0.000 1.191 325 A CA 2.713 54.294 52.037 -0.759 0.000 0.638 325 A CB -0.932 17.814 19.000 -0.424 0.000 0.823 325 A HN 0.421 nan 8.150 nan 0.000 0.451 326 V N 0.574 120.336 119.914 -0.253 0.000 2.343 326 V HA -0.249 3.871 4.120 0.000 0.000 0.247 326 V C 2.345 178.335 176.094 -0.172 0.000 1.051 326 V CA 2.053 64.274 62.300 -0.131 0.000 1.036 326 V CB -0.967 30.887 31.823 0.052 0.000 0.654 326 V HN 0.563 nan 8.190 nan 0.000 0.451 327 N N 0.343 118.987 118.700 -0.093 0.000 2.062 327 N HA -0.149 4.591 4.740 0.000 0.000 0.191 327 N C 1.907 177.305 175.510 -0.186 0.000 1.042 327 N CA 1.547 54.599 53.050 0.004 0.000 0.845 327 N CB -0.235 38.338 38.487 0.144 0.000 1.024 327 N HN 0.447 nan 8.380 nan 0.000 0.424 328 K N 1.029 121.258 120.400 -0.285 0.000 2.000 328 K HA -0.198 4.122 4.320 0.000 0.000 0.218 328 K C 1.681 178.088 176.600 -0.320 0.000 1.053 328 K CA 1.921 58.011 56.287 -0.328 0.000 0.946 328 K CB -0.242 31.922 32.500 -0.561 0.000 0.723 328 K HN 0.101 nan 8.250 nan 0.000 0.446 329 D N 0.280 120.410 120.400 -0.451 0.000 2.117 329 D HA -0.162 4.478 4.640 0.000 0.000 0.197 329 D C 1.906 178.086 176.300 -0.200 0.000 0.987 329 D CA 1.291 55.167 54.000 -0.208 0.000 0.829 329 D CB 0.034 40.781 40.800 -0.087 0.000 0.961 329 D HN 0.273 nan 8.370 nan 0.000 0.460 330 L N -0.397 120.607 121.223 -0.365 0.000 2.049 330 L HA 0.124 4.465 4.340 0.000 0.000 0.203 330 L C 1.832 178.447 176.870 -0.426 0.000 1.074 330 L CA 0.817 55.348 54.840 -0.516 0.000 0.749 330 L CB -0.652 40.768 42.059 -1.066 0.000 0.907 330 L HN 0.267 nan 8.230 nan 0.000 0.439 331 G N 0.068 108.626 108.800 -0.403 0.000 2.212 331 G HA2 -0.218 3.742 3.960 0.000 0.000 0.255 331 G HA3 -0.218 3.742 3.960 0.000 0.000 0.255 331 G C -0.238 174.637 174.900 -0.042 0.000 1.062 331 G CA 0.055 45.058 45.100 -0.162 0.000 0.815 331 G HN 0.314 nan 8.290 nan 0.000 0.497 332 W N -0.175 121.134 121.300 0.015 0.000 1.975 332 W HA 0.557 5.217 4.660 0.000 0.000 0.359 332 W C 0.392 176.919 176.519 0.014 0.000 1.363 332 W CA -1.639 55.717 57.345 0.020 0.000 1.376 332 W CB 0.135 29.612 29.460 0.029 0.000 1.231 332 W HN 0.164 nan 8.180 nan 0.000 0.641 333 D N 1.581 122.144 120.400 0.273 0.000 2.349 333 D HA 0.100 4.740 4.640 0.000 0.000 0.266 333 D C -1.423 174.960 176.300 0.138 0.000 1.293 333 D CA -2.029 52.061 54.000 0.150 0.000 0.926 333 D CB 0.921 41.771 40.800 0.083 0.000 1.090 333 D HN -0.044 nan 8.370 nan 0.000 0.502 334 P HA -0.174 nan 4.420 nan 0.000 0.217 334 P C 1.137 178.466 177.300 0.048 0.000 1.148 334 P CA 1.232 64.412 63.100 0.132 0.000 0.828 334 P CB 0.008 31.778 31.700 0.116 0.000 0.783 335 S N -0.784 114.932 115.700 0.027 0.000 2.660 335 S HA -0.055 4.415 4.470 0.000 0.000 0.228 335 S C 1.431 176.015 174.600 -0.026 0.000 0.966 335 S CA 0.381 58.577 58.200 -0.007 0.000 0.940 335 S CB -1.454 61.743 63.200 -0.006 0.000 0.773 335 S HN 0.368 nan 8.310 nan 0.000 0.535 336 I N -2.317 118.233 120.570 -0.034 0.000 4.154 336 I HA 0.482 4.652 4.170 0.000 0.000 0.334 336 I C -0.521 175.512 176.117 -0.139 0.000 1.371 336 I CA -0.528 60.728 61.300 -0.073 0.000 1.110 336 I CB 0.649 38.611 38.000 -0.064 0.000 1.085 336 I HN -0.019 nan 8.210 nan 0.000 0.398 337 V N 3.287 123.115 119.914 -0.142 0.000 2.481 337 V HA 0.307 4.428 4.120 0.000 0.000 0.286 337 V C 0.122 176.163 176.094 -0.088 0.000 1.042 337 V CA -0.468 61.722 62.300 -0.184 0.000 0.928 337 V CB 0.905 32.636 31.823 -0.153 0.000 0.986 337 V HN 0.557 nan 8.190 nan 0.000 0.462 338 N N 2.716 121.375 118.700 -0.068 0.000 2.699 338 N HA -0.156 4.584 4.740 0.000 0.000 0.256 338 N C 0.875 176.370 175.510 -0.025 0.000 0.993 338 N CA 0.804 53.841 53.050 -0.021 0.000 0.759 338 N CB -1.057 37.427 38.487 -0.005 0.000 0.906 338 N HN 0.462 nan 8.380 nan 0.000 0.541 339 V N 0.215 120.113 119.914 -0.027 0.000 2.332 339 V HA -0.245 3.875 4.120 0.000 0.000 0.248 339 V C 1.665 177.749 176.094 -0.017 0.000 1.055 339 V CA 1.979 64.259 62.300 -0.032 0.000 1.038 339 V CB -0.083 31.718 31.823 -0.036 0.000 0.651 339 V HN 0.544 nan 8.190 nan 0.000 0.450 340 N N 0.129 118.848 118.700 0.032 0.000 2.322 340 N HA 0.268 5.008 4.740 0.000 0.000 0.194 340 N C 0.606 176.236 175.510 0.199 0.000 1.126 340 N CA 1.000 54.101 53.050 0.085 0.000 0.845 340 N CB 0.825 39.374 38.487 0.104 0.000 0.976 340 N HN 0.566 nan 8.380 nan 0.000 0.475 341 G N -1.210 107.647 108.800 0.095 0.000 2.525 341 G HA2 0.227 4.187 3.960 0.000 0.000 0.685 341 G HA3 0.227 4.187 3.960 0.000 0.000 0.685 341 G C -0.344 174.583 174.900 0.045 0.000 1.285 341 G CA -0.619 44.517 45.100 0.059 0.000 0.849 341 G HN 0.339 nan 8.290 nan 0.000 0.653 342 G N -0.910 107.902 108.800 0.019 0.000 2.753 342 G HA2 0.815 4.775 3.960 0.000 0.000 0.285 342 G HA3 0.815 4.775 3.960 0.000 0.000 0.285 342 G C 1.304 176.233 174.900 0.048 0.000 1.344 342 G CA 0.786 45.915 45.100 0.048 0.000 1.050 342 G HN 1.938 nan 8.290 nan 0.000 0.532 343 A N -0.747 122.101 122.820 0.047 0.000 1.933 343 A HA 0.008 4.328 4.320 0.000 0.000 0.218 343 A C 2.331 179.946 177.584 0.051 0.000 1.175 343 A CA 1.283 53.346 52.037 0.043 0.000 0.628 343 A CB -0.597 18.401 19.000 -0.004 0.000 0.814 343 A HN 0.548 nan 8.150 nan 0.000 0.444 344 I N -0.509 120.081 120.570 0.034 0.000 2.290 344 I HA -0.385 3.785 4.170 0.000 0.000 0.253 344 I C 2.615 178.809 176.117 0.128 0.000 1.112 344 I CA 1.434 62.781 61.300 0.079 0.000 1.377 344 I CB -0.093 37.963 38.000 0.094 0.000 1.060 344 I HN 0.414 nan 8.210 nan 0.000 0.428 345 A N -0.503 122.371 122.820 0.089 0.000 2.035 345 A HA 0.231 4.552 4.320 0.000 0.000 0.208 345 A C 2.076 179.751 177.584 0.152 0.000 1.206 345 A CA 0.232 52.290 52.037 0.035 0.000 0.773 345 A CB -0.036 18.951 19.000 -0.022 0.000 0.878 345 A HN 0.326 nan 8.150 nan 0.000 0.469 346 I N -1.458 119.204 120.570 0.154 0.000 3.265 346 I HA 0.299 4.470 4.170 0.000 0.000 0.282 346 I C 1.407 177.597 176.117 0.122 0.000 1.207 346 I CA 0.814 62.175 61.300 0.100 0.000 1.449 346 I CB 0.125 38.084 38.000 -0.068 0.000 1.121 346 I HN 0.481 nan 8.210 nan 0.000 0.442 347 G N 2.539 111.403 108.800 0.107 0.000 2.451 347 G HA2 -0.270 3.691 3.960 0.000 0.000 0.208 347 G HA3 -0.270 3.691 3.960 0.000 0.000 0.208 347 G C 0.022 174.882 174.900 -0.065 0.000 1.248 347 G CA 0.225 45.251 45.100 -0.123 0.000 0.989 347 G HN 0.409 nan 8.290 nan 0.000 0.559 348 N N -0.933 117.701 118.700 -0.110 0.000 2.011 348 N HA 0.188 4.928 4.740 0.000 0.000 0.254 348 N C -2.136 173.328 175.510 -0.076 0.000 1.205 348 N CA 1.318 54.338 53.050 -0.050 0.000 0.783 348 N CB 0.129 38.604 38.487 -0.020 0.000 1.472 348 N HN 0.930 nan 8.380 nan 0.000 0.524 349 P HA -0.234 nan 4.420 nan 0.000 0.014 349 P C 0.931 178.187 177.300 -0.074 0.000 0.540 349 P CA 0.561 63.614 63.100 -0.078 0.000 1.035 349 P CB -1.203 30.457 31.700 -0.067 0.000 1.908 350 I N 0.092 120.622 120.570 -0.067 0.000 2.889 350 I HA -0.400 3.770 4.170 0.000 0.000 0.209 350 I C 2.623 178.694 176.117 -0.076 0.000 0.878 350 I CA 2.443 63.706 61.300 -0.063 0.000 1.175 350 I CB -1.726 36.249 38.000 -0.042 0.000 0.900 350 I HN 0.351 nan 8.210 nan 0.000 0.357 351 G N -0.434 108.328 108.800 -0.063 0.000 2.532 351 G HA2 -0.159 3.802 3.960 0.000 0.000 0.222 351 G HA3 -0.159 3.802 3.960 0.000 0.000 0.222 351 G C 1.548 176.399 174.900 -0.082 0.000 1.102 351 G CA 1.145 46.206 45.100 -0.066 0.000 0.742 351 G HN 0.675 nan 8.290 nan 0.000 0.577 352 A N -0.498 122.270 122.820 -0.086 0.000 2.140 352 A HA 0.419 4.740 4.320 0.000 0.000 0.209 352 A C 2.337 179.859 177.584 -0.104 0.000 1.181 352 A CA 1.280 53.264 52.037 -0.089 0.000 0.824 352 A CB -0.283 18.669 19.000 -0.081 0.000 0.879 352 A HN 0.233 nan 8.150 nan 0.000 0.480 353 S N -0.155 115.466 115.700 -0.131 0.000 2.444 353 S HA -0.167 4.303 4.470 0.000 0.000 0.244 353 S C 1.776 176.249 174.600 -0.212 0.000 1.025 353 S CA 1.771 59.856 58.200 -0.193 0.000 0.995 353 S CB -0.267 62.742 63.200 -0.319 0.000 0.781 353 S HN 0.761 nan 8.310 nan 0.000 0.496 354 G N -0.372 108.327 108.800 -0.168 0.000 2.490 354 G HA2 0.261 4.221 3.960 0.000 0.000 0.211 354 G HA3 0.261 4.221 3.960 0.000 0.000 0.211 354 G C 1.472 176.328 174.900 -0.073 0.000 1.159 354 G CA 0.564 45.590 45.100 -0.124 0.000 0.819 354 G HN 0.541 nan 8.290 nan 0.000 0.539 355 A N 0.449 123.226 122.820 -0.072 0.000 2.066 355 A HA 0.139 4.459 4.320 0.000 0.000 0.218 355 A C 2.303 179.871 177.584 -0.028 0.000 1.157 355 A CA 1.193 53.202 52.037 -0.048 0.000 0.670 355 A CB -0.305 18.660 19.000 -0.057 0.000 0.804 355 A HN 0.205 nan 8.150 nan 0.000 0.453 356 R N 0.760 121.234 120.500 -0.044 0.000 2.070 356 R HA -0.150 4.190 4.340 0.000 0.000 0.232 356 R C 2.086 178.382 176.300 -0.006 0.000 1.138 356 R CA 2.142 58.223 56.100 -0.032 0.000 0.936 356 R CB -0.763 29.505 30.300 -0.053 0.000 0.839 356 R HN 0.737 nan 8.270 nan 0.000 0.429 357 I N -1.352 119.211 120.570 -0.011 0.000 2.614 357 I HA -0.159 4.011 4.170 0.000 0.000 0.258 357 I C 2.376 178.512 176.117 0.032 0.000 1.189 357 I CA 1.013 62.324 61.300 0.018 0.000 1.462 357 I CB -0.380 37.635 38.000 0.026 0.000 1.092 357 I HN 0.089 nan 8.210 nan 0.000 0.442 358 L N 1.476 122.711 121.223 0.020 0.000 2.046 358 L HA -0.210 4.131 4.340 0.000 0.000 0.208 358 L C 2.450 179.356 176.870 0.060 0.000 1.077 358 L CA 1.835 56.691 54.840 0.028 0.000 0.747 358 L CB -0.647 41.417 42.059 0.009 0.000 0.896 358 L HN 0.453 nan 8.230 nan 0.000 0.432 359 N N -0.870 117.884 118.700 0.090 0.000 2.058 359 N HA -0.184 4.556 4.740 0.000 0.000 0.191 359 N C 1.588 177.246 175.510 0.247 0.000 1.037 359 N CA 2.170 55.339 53.050 0.197 0.000 0.848 359 N CB -0.095 38.504 38.487 0.187 0.000 1.021 359 N HN 0.365 nan 8.380 nan 0.000 0.422 360 T N 3.358 118.010 114.554 0.163 0.000 2.684 360 T HA -0.132 4.219 4.350 0.000 0.000 0.267 360 T C 1.933 176.729 174.700 0.159 0.000 1.036 360 T CA 0.536 62.747 62.100 0.185 0.000 1.148 360 T CB -0.399 68.550 68.868 0.135 0.000 0.863 360 T HN 0.161 nan 8.240 nan 0.000 0.436 361 L N 0.937 122.218 121.223 0.096 0.000 1.951 361 L HA -0.155 4.185 4.340 0.000 0.000 0.222 361 L C 2.410 179.310 176.870 0.049 0.000 1.078 361 L CA 2.030 56.902 54.840 0.053 0.000 0.778 361 L CB -1.036 41.041 42.059 0.030 0.000 0.893 361 L HN 0.347 nan 8.230 nan 0.000 0.436 362 L N -1.160 120.080 121.223 0.028 0.000 1.970 362 L HA -0.299 4.041 4.340 0.000 0.000 0.212 362 L C 2.618 179.424 176.870 -0.106 0.000 1.071 362 L CA 1.652 56.443 54.840 -0.080 0.000 0.751 362 L CB -0.811 41.134 42.059 -0.190 0.000 0.889 362 L HN 0.174 nan 8.230 nan 0.000 0.432 363 F N 0.201 120.169 119.950 0.029 0.000 2.333 363 F HA -0.213 4.314 4.527 0.000 0.000 0.300 363 F C 2.540 178.350 175.800 0.017 0.000 1.083 363 F CA 1.375 59.392 58.000 0.028 0.000 1.395 363 F CB -0.248 38.779 39.000 0.044 0.000 1.056 363 F HN 0.142 nan 8.300 nan 0.000 0.529 364 E N -0.054 120.241 120.200 0.159 0.000 2.230 364 E HA -0.083 4.267 4.350 0.000 0.000 0.192 364 E C 2.055 178.673 176.600 0.030 0.000 0.987 364 E CA 0.832 57.282 56.400 0.083 0.000 0.841 364 E CB -0.149 29.593 29.700 0.070 0.000 0.783 364 E HN 0.330 nan 8.360 nan 0.000 0.481 365 M N 0.116 119.722 119.600 0.010 0.000 2.064 365 M HA -0.112 4.369 4.480 0.000 0.000 0.260 365 M C 2.369 178.658 176.300 -0.019 0.000 1.073 365 M CA 1.757 57.046 55.300 -0.018 0.000 1.124 365 M CB -0.344 32.237 32.600 -0.032 0.000 1.326 365 M HN -0.029 nan 8.290 nan 0.000 0.410 366 K N 1.273 121.657 120.400 -0.027 0.000 2.113 366 K HA -0.220 4.101 4.320 0.000 0.000 0.208 366 K C 1.931 178.537 176.600 0.010 0.000 1.047 366 K CA 1.903 58.176 56.287 -0.023 0.000 0.928 366 K CB -0.141 32.332 32.500 -0.044 0.000 0.716 366 K HN 0.378 nan 8.250 nan 0.000 0.446 367 R N 0.369 120.888 120.500 0.032 0.000 2.310 367 R HA 0.008 4.348 4.340 0.000 0.000 0.202 367 R C 1.085 177.388 176.300 0.005 0.000 0.933 367 R CA 0.630 56.748 56.100 0.029 0.000 1.054 367 R CB 0.065 30.393 30.300 0.047 0.000 0.985 367 R HN 0.239 nan 8.270 nan 0.000 0.489 368 R N -1.249 119.248 120.500 -0.004 0.000 2.566 368 R HA 0.302 4.642 4.340 0.000 0.000 0.388 368 R C 0.480 176.767 176.300 -0.021 0.000 0.989 368 R CA 0.083 56.174 56.100 -0.015 0.000 1.164 368 R CB 0.342 30.630 30.300 -0.020 0.000 1.459 368 R HN 0.116 nan 8.270 nan 0.000 0.553 369 G N 0.960 109.748 108.800 -0.021 0.000 2.321 369 G HA2 -0.355 3.605 3.960 0.000 0.000 0.287 369 G HA3 -0.355 3.605 3.960 0.000 0.000 0.287 369 G C 0.409 175.286 174.900 -0.039 0.000 1.018 369 G CA 0.348 45.431 45.100 -0.027 0.000 0.855 369 G HN 0.737 nan 8.290 nan 0.000 0.507 370 A N -0.941 121.854 122.820 -0.042 0.000 2.462 370 A HA 0.691 5.011 4.320 0.000 0.000 0.243 370 A C 1.308 178.851 177.584 -0.068 0.000 1.076 370 A CA 0.894 52.896 52.037 -0.058 0.000 0.773 370 A CB 0.349 19.317 19.000 -0.055 0.000 1.010 370 A HN 0.843 nan 8.150 nan 0.000 0.493 371 R N 0.612 121.053 120.500 -0.099 0.000 2.369 371 R HA 0.237 4.578 4.340 0.000 0.000 0.210 371 R C -0.356 175.839 176.300 -0.175 0.000 0.881 371 R CA 0.448 56.481 56.100 -0.113 0.000 1.031 371 R CB 0.045 30.279 30.300 -0.110 0.000 1.184 371 R HN 0.547 nan 8.270 nan 0.000 0.581 372 K N 0.743 120.991 120.400 -0.254 0.000 2.413 372 K HA 0.689 5.009 4.320 0.000 0.000 0.257 372 K C -0.666 175.831 176.600 -0.171 0.000 0.946 372 K CA -0.595 55.442 56.287 -0.417 0.000 0.823 372 K CB 2.317 34.318 32.500 -0.832 0.000 1.109 372 K HN 0.217 nan 8.250 nan 0.000 0.427 373 G N 1.819 110.629 108.800 0.017 0.000 2.695 373 G HA2 0.710 4.670 3.960 0.000 0.000 0.290 373 G HA3 0.710 4.670 3.960 0.000 0.000 0.290 373 G C -1.960 173.054 174.900 0.191 0.000 1.410 373 G CA -0.761 44.380 45.100 0.069 0.000 0.844 373 G HN 0.494 nan 8.290 nan 0.000 0.478 374 L N 0.519 121.799 121.223 0.095 0.000 2.516 374 L HA 0.800 5.140 4.340 0.000 0.000 0.267 374 L C -0.078 176.814 176.870 0.037 0.000 0.957 374 L CA -0.751 54.161 54.840 0.119 0.000 0.860 374 L CB 1.600 43.781 42.059 0.203 0.000 1.265 374 L HN 0.898 nan 8.230 nan 0.000 0.403 375 A N 3.020 125.877 122.820 0.061 0.000 2.327 375 A HA 0.740 5.060 4.320 0.000 0.000 0.283 375 A C -0.141 177.496 177.584 0.088 0.000 1.127 375 A CA 0.006 52.072 52.037 0.049 0.000 0.810 375 A CB 1.176 20.201 19.000 0.041 0.000 1.066 375 A HN 0.732 nan 8.150 nan 0.000 0.492 376 T N 1.456 116.070 114.554 0.099 0.000 2.982 376 T HA 0.599 4.949 4.350 0.000 0.000 0.321 376 T C -1.501 173.288 174.700 0.149 0.000 1.229 376 T CA -0.372 61.816 62.100 0.146 0.000 1.044 376 T CB 0.273 69.279 68.868 0.230 0.000 1.184 376 T HN 0.625 nan 8.240 nan 0.000 0.477 377 L N 3.408 124.713 121.223 0.136 0.000 2.424 377 L HA 0.747 5.087 4.340 0.000 0.000 0.258 377 L C 0.448 177.410 176.870 0.154 0.000 0.995 377 L CA -0.971 53.962 54.840 0.155 0.000 0.821 377 L CB 1.560 43.632 42.059 0.022 0.000 1.383 377 L HN 0.955 nan 8.230 nan 0.000 0.410 378 C N -0.247 119.172 119.300 0.198 0.000 2.345 378 C HA 0.882 5.342 4.460 0.000 0.000 0.369 378 C C 0.026 175.106 174.990 0.150 0.000 1.273 378 C CA -0.908 58.208 59.018 0.162 0.000 2.310 378 C CB 0.493 28.333 27.740 0.166 0.000 2.219 378 C HN 0.671 nan 8.230 nan 0.000 0.587 379 I N 0.511 121.156 120.570 0.124 0.000 2.692 379 I HA 0.491 4.661 4.170 0.000 0.000 0.293 379 I C 0.668 176.849 176.117 0.107 0.000 1.200 379 I CA -0.253 61.110 61.300 0.105 0.000 1.036 379 I CB 1.893 39.941 38.000 0.080 0.000 1.258 379 I HN 1.058 nan 8.210 nan 0.000 0.421 380 G N 2.284 111.152 108.800 0.113 0.000 2.491 380 G HA2 0.435 4.395 3.960 0.000 0.000 0.242 380 G HA3 0.435 4.395 3.960 0.000 0.000 0.242 380 G C 0.883 175.856 174.900 0.122 0.000 1.266 380 G CA 0.714 45.885 45.100 0.118 0.000 0.844 380 G HN 1.190 nan 8.290 nan 0.000 0.571 381 G N 0.047 108.933 108.800 0.143 0.000 2.258 381 G HA2 0.267 4.227 3.960 0.000 0.000 0.233 381 G HA3 0.267 4.227 3.960 0.000 0.000 0.233 381 G C 1.104 175.986 174.900 -0.029 0.000 1.006 381 G CA 0.852 46.014 45.100 0.104 0.000 0.620 381 G HN 2.784 nan 8.290 nan 0.000 0.511 382 G N -0.444 108.369 108.800 0.021 0.000 2.980 382 G HA2 0.280 4.240 3.960 0.000 0.000 0.255 382 G HA3 0.280 4.240 3.960 0.000 0.000 0.255 382 G C -0.286 174.621 174.900 0.011 0.000 1.020 382 G CA 0.734 45.837 45.100 0.006 0.000 1.230 382 G HN 1.227 nan 8.290 nan 0.000 0.580 383 M N -0.706 118.918 119.600 0.041 0.000 3.213 383 M HA 0.776 5.256 4.480 0.000 0.000 0.278 383 M C 0.290 176.632 176.300 0.070 0.000 1.332 383 M CA -0.274 55.056 55.300 0.050 0.000 0.810 383 M CB 2.224 34.856 32.600 0.053 0.000 1.676 383 M HN 1.162 nan 8.290 nan 0.000 0.463 384 G N -0.003 108.844 108.800 0.078 0.000 2.623 384 G HA2 0.644 4.604 3.960 0.000 0.000 0.290 384 G HA3 0.644 4.604 3.960 0.000 0.000 0.290 384 G C -2.462 172.501 174.900 0.104 0.000 1.437 384 G CA -0.540 44.616 45.100 0.093 0.000 0.798 384 G HN 0.644 nan 8.290 nan 0.000 0.488 385 V N -0.746 119.235 119.914 0.111 0.000 3.078 385 V HA 0.981 5.101 4.120 0.000 0.000 0.311 385 V C -0.669 175.511 176.094 0.143 0.000 1.138 385 V CA 0.123 62.503 62.300 0.133 0.000 1.007 385 V CB 1.825 33.707 31.823 0.098 0.000 1.045 385 V HN 2.224 nan 8.190 nan 0.000 0.432 386 A N 5.816 128.742 122.820 0.176 0.000 2.587 386 A HA 0.963 5.283 4.320 0.000 0.000 0.293 386 A C -1.156 176.542 177.584 0.190 0.000 1.087 386 A CA -0.560 51.577 52.037 0.167 0.000 0.692 386 A CB 2.136 21.233 19.000 0.161 0.000 1.291 386 A HN 1.436 nan 8.150 nan 0.000 0.407 387 M N 0.755 120.448 119.600 0.155 0.000 2.365 387 M HA 0.509 4.990 4.480 0.000 0.000 0.287 387 M C -2.029 174.341 176.300 0.118 0.000 1.154 387 M CA -0.247 55.144 55.300 0.152 0.000 0.941 387 M CB 1.750 34.426 32.600 0.128 0.000 1.704 387 M HN 0.743 nan 8.290 nan 0.000 0.479 388 C N 4.854 124.194 119.300 0.067 0.000 2.329 388 C HA 0.729 5.189 4.460 0.000 0.000 0.329 388 C C -0.521 174.548 174.990 0.132 0.000 1.275 388 C CA -0.786 58.263 59.018 0.051 0.000 1.726 388 C CB 0.406 27.945 27.740 -0.335 0.000 2.291 388 C HN 0.588 nan 8.230 nan 0.000 0.514 389 I N 3.181 123.925 120.570 0.290 0.000 2.436 389 I HA 0.454 4.624 4.170 0.000 0.000 0.289 389 I C -0.062 176.280 176.117 0.375 0.000 1.010 389 I CA -0.256 61.192 61.300 0.247 0.000 1.098 389 I CB 1.482 39.561 38.000 0.131 0.000 1.266 389 I HN 0.739 nan 8.210 nan 0.000 0.434 390 E N 4.727 125.120 120.200 0.321 0.000 2.210 390 E HA 0.435 4.785 4.350 0.000 0.000 0.266 390 E C -0.778 175.883 176.600 0.103 0.000 0.883 390 E CA -0.479 56.057 56.400 0.227 0.000 0.761 390 E CB 1.646 31.567 29.700 0.369 0.000 1.156 390 E HN 0.614 nan 8.360 nan 0.000 0.412 391 S N 4.649 120.369 115.700 0.034 0.000 2.531 391 S HA 0.212 4.682 4.470 0.000 0.000 0.279 391 S C 0.813 175.421 174.600 0.014 0.000 1.305 391 S CA -0.677 57.528 58.200 0.008 0.000 1.058 391 S CB 0.645 63.833 63.200 -0.020 0.000 0.899 391 S HN 0.505 nan 8.310 nan 0.000 0.493 392 L N 0.000 121.230 121.223 0.011 0.000 2.949 392 L HA 0.000 4.340 4.340 0.000 0.000 0.249 392 L CA 0.000 54.847 54.840 0.011 0.000 0.813 392 L CB 0.000 42.065 42.059 0.010 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502