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 2wl5_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 EANEAFAAQA 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 0.000 174.611 174.600 0.018 0.000 1.055 4 S CA 0.000 58.211 58.200 0.018 0.000 1.107 4 S CB 0.000 63.211 63.200 0.018 0.000 0.593 5 I N 3.093 123.675 120.570 0.020 0.000 2.531 5 I HA 0.500 4.671 4.170 0.001 0.000 0.283 5 I C -0.388 175.738 176.117 0.014 0.000 1.083 5 I CA -0.881 60.430 61.300 0.017 0.000 1.071 5 I CB 1.922 39.935 38.000 0.023 0.000 1.210 5 I HN 0.133 nan 8.210 nan 0.000 0.450 6 V N 3.523 123.442 119.914 0.008 0.000 3.177 6 V HA 0.647 4.768 4.120 0.001 0.000 0.319 6 V C -0.263 175.826 176.094 -0.008 0.000 1.125 6 V CA -0.805 61.497 62.300 0.002 0.000 1.029 6 V CB 2.448 34.272 31.823 0.001 0.000 1.119 6 V HN 0.513 nan 8.190 nan 0.000 0.452 7 I N 2.057 122.615 120.570 -0.019 0.000 2.388 7 I HA 0.477 4.647 4.170 0.001 0.000 0.281 7 I C 1.396 177.487 176.117 -0.044 0.000 1.046 7 I CA -0.239 61.041 61.300 -0.033 0.000 1.187 7 I CB 1.175 39.148 38.000 -0.045 0.000 1.351 7 I HN 0.907 nan 8.210 nan 0.000 0.472 8 A N 5.005 127.807 122.820 -0.030 0.000 1.859 8 A HA -0.108 4.213 4.320 0.001 0.000 0.217 8 A C 1.176 178.734 177.584 -0.043 0.000 1.198 8 A CA 2.007 54.027 52.037 -0.028 0.000 0.629 8 A CB -0.231 18.762 19.000 -0.011 0.000 0.830 8 A HN 0.699 nan 8.150 nan 0.000 0.446 9 S N -3.780 111.901 115.700 -0.033 0.000 2.720 9 S HA 0.847 5.317 4.470 0.001 0.000 0.287 9 S C -0.493 174.105 174.600 -0.004 0.000 1.168 9 S CA -0.171 58.015 58.200 -0.023 0.000 0.832 9 S CB 1.432 64.657 63.200 0.041 0.000 1.166 9 S HN 1.809 nan 8.310 nan 0.000 0.493 10 A N -0.382 122.493 122.820 0.093 0.000 2.557 10 A HA 1.055 5.375 4.320 0.001 0.000 0.292 10 A C -0.918 176.875 177.584 0.348 0.000 1.139 10 A CA -0.506 51.637 52.037 0.176 0.000 0.665 10 A CB 0.604 19.684 19.000 0.132 0.000 1.285 10 A HN 2.504 nan 8.150 nan 0.000 0.433 11 A N -0.419 122.555 122.820 0.256 0.000 2.522 11 A HA 0.788 5.108 4.320 0.001 0.000 0.294 11 A C -0.969 176.663 177.584 0.079 0.000 1.001 11 A CA 0.066 52.193 52.037 0.150 0.000 0.642 11 A CB 0.779 19.836 19.000 0.095 0.000 1.326 11 A HN 2.306 nan 8.150 nan 0.000 0.435 12 R N -0.492 120.024 120.500 0.027 0.000 2.663 12 R HA 0.716 5.057 4.340 0.001 0.000 0.267 12 R C -0.144 176.159 176.300 0.004 0.000 1.038 12 R CA -0.041 56.066 56.100 0.011 0.000 0.886 12 R CB 0.803 31.110 30.300 0.012 0.000 1.249 12 R HN 1.375 nan 8.270 nan 0.000 0.463 13 T N -0.147 114.405 114.554 -0.004 0.000 2.724 13 T HA 0.379 4.729 4.350 0.001 0.000 0.324 13 T C 0.914 175.646 174.700 0.053 0.000 1.071 13 T CA -0.100 62.013 62.100 0.022 0.000 1.061 13 T CB 0.495 69.309 68.868 -0.090 0.000 0.990 13 T HN 0.784 nan 8.240 nan 0.000 0.543 14 A N 0.867 123.762 122.820 0.125 0.000 2.406 14 A HA 0.515 4.836 4.320 0.001 0.000 0.243 14 A C 0.303 177.959 177.584 0.120 0.000 1.082 14 A CA -0.778 51.305 52.037 0.078 0.000 0.786 14 A CB 0.000 19.049 19.000 0.080 0.000 1.029 14 A HN 0.852 nan 8.150 nan 0.000 0.495 15 V N 1.561 121.480 119.914 0.009 0.000 2.432 15 V HA 0.492 4.613 4.120 0.001 0.000 0.275 15 V C 1.122 177.182 176.094 -0.057 0.000 1.043 15 V CA 0.209 62.515 62.300 0.010 0.000 0.925 15 V CB 0.773 32.568 31.823 -0.048 0.000 0.985 15 V HN 1.103 nan 8.190 nan 0.000 0.466 16 G N 3.364 112.104 108.800 -0.100 0.000 2.477 16 G HA2 0.485 4.445 3.960 0.001 0.000 0.304 16 G HA3 0.485 4.445 3.960 0.001 0.000 0.304 16 G C -0.189 174.613 174.900 -0.163 0.000 1.175 16 G CA -0.380 44.511 45.100 -0.349 0.000 0.907 16 G HN 0.641 nan 8.290 nan 0.000 0.509 17 S N -0.450 115.174 115.700 -0.127 0.000 2.585 17 S HA 0.351 4.821 4.470 0.001 0.000 0.277 17 S C -0.248 174.372 174.600 0.033 0.000 1.241 17 S CA -0.455 57.737 58.200 -0.014 0.000 1.041 17 S CB 1.036 64.305 63.200 0.115 0.000 0.987 17 S HN 0.418 nan 8.310 nan 0.000 0.512 18 F N 3.766 123.648 119.950 -0.113 0.000 2.604 18 F HA -0.061 4.466 4.527 0.001 0.000 0.393 18 F C 1.099 176.880 175.800 -0.032 0.000 1.043 18 F CA 0.081 58.040 58.000 -0.068 0.000 1.227 18 F CB -0.583 38.385 39.000 -0.053 0.000 1.016 18 F HN 0.646 nan 8.300 nan 0.000 0.556 19 N N 2.673 121.121 118.700 -0.420 0.000 2.710 19 N HA -0.211 4.529 4.740 0.001 0.000 0.249 19 N C 0.319 175.739 175.510 -0.150 0.000 1.059 19 N CA 0.972 53.822 53.050 -0.333 0.000 0.720 19 N CB -1.285 36.946 38.487 -0.428 0.000 0.983 19 N HN 0.826 nan 8.380 nan 0.000 0.544 20 G N -0.500 108.232 108.800 -0.114 0.000 3.410 20 G HA2 0.602 4.562 3.960 0.001 0.000 0.189 20 G HA3 0.602 4.562 3.960 0.001 0.000 0.189 20 G C 1.088 175.901 174.900 -0.144 0.000 1.404 20 G CA 0.350 45.385 45.100 -0.108 0.000 0.898 20 G HN 0.278 nan 8.290 nan 0.000 0.650 21 A N -0.564 122.099 122.820 -0.263 0.000 1.958 21 A HA 0.013 4.333 4.320 0.001 0.000 0.221 21 A C 1.478 178.958 177.584 -0.173 0.000 1.178 21 A CA 1.821 53.660 52.037 -0.330 0.000 0.642 21 A CB -0.545 18.079 19.000 -0.628 0.000 0.816 21 A HN 0.398 nan 8.150 nan 0.000 0.453 22 F N -1.363 118.550 119.950 -0.062 0.000 2.708 22 F HA 0.524 5.052 4.527 0.001 0.000 0.300 22 F C 1.899 177.645 175.800 -0.091 0.000 1.118 22 F CA -0.924 57.014 58.000 -0.103 0.000 1.307 22 F CB -0.959 37.923 39.000 -0.196 0.000 0.986 22 F HN 0.195 nan 8.300 nan 0.000 0.522 23 A N 0.518 123.360 122.820 0.037 0.000 2.042 23 A HA -0.207 4.113 4.320 0.001 0.000 0.222 23 A C 1.708 179.285 177.584 -0.012 0.000 1.167 23 A CA 1.924 53.941 52.037 -0.034 0.000 0.649 23 A CB -0.409 18.544 19.000 -0.079 0.000 0.809 23 A HN 0.409 nan 8.150 nan 0.000 0.457 24 N N -0.930 117.787 118.700 0.028 0.000 2.241 24 N HA 0.069 4.810 4.740 0.001 0.000 0.238 24 N C -0.872 174.654 175.510 0.028 0.000 1.244 24 N CA 0.114 53.177 53.050 0.022 0.000 0.880 24 N CB 0.904 39.405 38.487 0.023 0.000 1.179 24 N HN 0.181 nan 8.380 nan 0.000 0.513 25 T N 2.820 117.387 114.554 0.021 0.000 2.743 25 T HA 0.339 4.689 4.350 0.001 0.000 0.292 25 T C -2.518 172.119 174.700 -0.106 0.000 0.972 25 T CA -1.310 60.765 62.100 -0.042 0.000 0.967 25 T CB 2.052 70.844 68.868 -0.125 0.000 0.926 25 T HN -0.056 nan 8.240 nan 0.000 0.459 26 P HA 0.126 nan 4.420 nan 0.000 0.267 26 P C 0.609 177.783 177.300 -0.209 0.000 1.200 26 P CA -0.144 62.883 63.100 -0.122 0.000 0.772 26 P CB 0.490 32.103 31.700 -0.144 0.000 0.855 27 A N 3.391 126.149 122.820 -0.102 0.000 1.908 27 A HA -0.242 4.079 4.320 0.001 0.000 0.218 27 A C 1.938 179.449 177.584 -0.121 0.000 1.181 27 A CA 1.788 53.758 52.037 -0.112 0.000 0.627 27 A CB -1.671 17.307 19.000 -0.036 0.000 0.818 27 A HN 0.808 nan 8.150 nan 0.000 0.445 28 H N -0.913 118.126 119.070 -0.051 0.000 2.491 28 H HA -0.004 4.552 4.556 0.001 0.000 0.290 28 H C 1.462 176.779 175.328 -0.018 0.000 1.050 28 H CA 1.347 57.374 56.048 -0.034 0.000 1.309 28 H CB -0.329 29.423 29.762 -0.016 0.000 1.392 28 H HN 0.637 nan 8.280 nan 0.000 0.554 29 E N 1.012 120.891 120.200 -0.535 0.000 2.072 29 E HA -0.041 4.310 4.350 0.001 0.000 0.190 29 E C 2.625 179.216 176.600 -0.014 0.000 0.982 29 E CA 0.790 57.048 56.400 -0.237 0.000 0.803 29 E CB 0.149 29.726 29.700 -0.205 0.000 0.755 29 E HN 0.443 nan 8.360 nan 0.000 0.453 30 L N 0.400 121.458 121.223 -0.274 0.000 2.046 30 L HA -0.103 4.238 4.340 0.001 0.000 0.208 30 L C 2.625 179.421 176.870 -0.123 0.000 1.077 30 L CA 1.233 55.847 54.840 -0.376 0.000 0.747 30 L CB -0.862 40.831 42.059 -0.609 0.000 0.896 30 L HN 0.217 nan 8.230 nan 0.000 0.432 31 G N -0.073 108.671 108.800 -0.092 0.000 2.446 31 G HA2 -0.263 3.697 3.960 0.001 0.000 0.217 31 G HA3 -0.263 3.697 3.960 0.001 0.000 0.217 31 G C 1.815 176.718 174.900 0.004 0.000 1.168 31 G CA 0.912 45.991 45.100 -0.036 0.000 0.771 31 G HN 0.460 nan 8.290 nan 0.000 0.551 32 A N 0.318 123.158 122.820 0.033 0.000 1.892 32 A HA -0.106 4.215 4.320 0.001 0.000 0.218 32 A C 2.524 180.131 177.584 0.039 0.000 1.188 32 A CA 2.659 54.724 52.037 0.046 0.000 0.631 32 A CB -1.201 17.839 19.000 0.067 0.000 0.822 32 A HN 0.310 nan 8.150 nan 0.000 0.447 33 T N -0.868 113.728 114.554 0.069 0.000 2.665 33 T HA -0.160 4.190 4.350 0.001 0.000 0.268 33 T C 1.826 176.552 174.700 0.042 0.000 1.035 33 T CA 1.643 63.786 62.100 0.071 0.000 1.151 33 T CB -0.523 68.460 68.868 0.192 0.000 0.862 33 T HN 0.204 nan 8.240 nan 0.000 0.438 34 V N 0.890 120.821 119.914 0.029 0.000 2.515 34 V HA -0.056 4.064 4.120 0.001 0.000 0.250 34 V C 2.157 178.259 176.094 0.014 0.000 1.058 34 V CA 1.257 63.567 62.300 0.017 0.000 1.064 34 V CB -0.433 31.389 31.823 -0.002 0.000 0.675 34 V HN 0.504 nan 8.190 nan 0.000 0.461 35 I N -0.508 120.067 120.570 0.008 0.000 2.202 35 I HA -0.188 3.982 4.170 0.001 0.000 0.242 35 I C 2.554 178.676 176.117 0.009 0.000 1.091 35 I CA 1.851 63.153 61.300 0.003 0.000 1.368 35 I CB -0.486 37.514 38.000 -0.001 0.000 1.058 35 I HN 0.237 nan 8.210 nan 0.000 0.410 36 S N 0.575 116.282 115.700 0.012 0.000 2.406 36 S HA -0.059 4.411 4.470 0.001 0.000 0.228 36 S C 2.214 176.823 174.600 0.015 0.000 1.020 36 S CA 1.053 59.259 58.200 0.010 0.000 0.965 36 S CB -0.225 62.978 63.200 0.005 0.000 0.798 36 S HN 0.507 nan 8.310 nan 0.000 0.488 37 A N 1.728 124.561 122.820 0.021 0.000 1.865 37 A HA -0.112 4.208 4.320 0.001 0.000 0.217 37 A C 2.464 180.073 177.584 0.041 0.000 1.191 37 A CA 2.016 54.071 52.037 0.029 0.000 0.623 37 A CB -1.260 17.760 19.000 0.034 0.000 0.826 37 A HN 0.560 nan 8.150 nan 0.000 0.444 38 V N -2.305 117.635 119.914 0.042 0.000 2.407 38 V HA -0.189 3.932 4.120 0.001 0.000 0.248 38 V C 2.226 178.340 176.094 0.033 0.000 1.055 38 V CA 1.874 64.203 62.300 0.048 0.000 1.049 38 V CB -1.111 30.735 31.823 0.038 0.000 0.662 38 V HN 0.251 nan 8.190 nan 0.000 0.455 39 L N 1.261 122.498 121.223 0.022 0.000 1.971 39 L HA -0.173 4.168 4.340 0.001 0.000 0.215 39 L C 2.859 179.740 176.870 0.020 0.000 1.072 39 L CA 2.609 57.459 54.840 0.016 0.000 0.758 39 L CB -1.420 40.646 42.059 0.011 0.000 0.889 39 L HN 0.657 nan 8.230 nan 0.000 0.433 40 E N -0.108 120.105 120.200 0.022 0.000 2.285 40 E HA -0.169 4.181 4.350 0.001 0.000 0.194 40 E C 2.157 178.775 176.600 0.031 0.000 0.997 40 E CA 0.673 57.086 56.400 0.022 0.000 0.845 40 E CB 0.076 29.787 29.700 0.017 0.000 0.782 40 E HN 0.471 nan 8.360 nan 0.000 0.491 41 R N -0.086 120.439 120.500 0.043 0.000 2.153 41 R HA 0.093 4.433 4.340 0.001 0.000 0.218 41 R C 2.136 178.465 176.300 0.047 0.000 1.072 41 R CA 0.995 57.131 56.100 0.060 0.000 0.990 41 R CB -0.011 30.347 30.300 0.097 0.000 0.889 41 R HN 0.134 nan 8.270 nan 0.000 0.452 42 A N 0.016 122.856 122.820 0.034 0.000 2.195 42 A HA 0.236 4.557 4.320 0.001 0.000 0.210 42 A C 1.382 178.977 177.584 0.018 0.000 1.165 42 A CA 0.634 52.684 52.037 0.022 0.000 0.806 42 A CB 0.110 19.119 19.000 0.015 0.000 0.847 42 A HN 0.381 nan 8.150 nan 0.000 0.482 43 G N -0.814 107.997 108.800 0.019 0.000 2.198 43 G HA2 -0.180 3.780 3.960 0.001 0.000 0.260 43 G HA3 -0.180 3.780 3.960 0.001 0.000 0.260 43 G C 0.073 174.980 174.900 0.012 0.000 1.025 43 G CA 0.381 45.489 45.100 0.015 0.000 0.769 43 G HN 0.841 nan 8.290 nan 0.000 0.507 44 V N 0.116 120.037 119.914 0.011 0.000 2.547 44 V HA 0.831 4.951 4.120 0.001 0.000 0.299 44 V C 0.831 176.930 176.094 0.009 0.000 1.040 44 V CA -0.383 61.922 62.300 0.009 0.000 0.913 44 V CB 1.672 33.500 31.823 0.008 0.000 0.992 44 V HN 1.010 nan 8.190 nan 0.000 0.449 45 A N 2.925 125.750 122.820 0.007 0.000 2.286 45 A HA 0.744 5.064 4.320 0.001 0.000 0.286 45 A C 1.354 178.942 177.584 0.006 0.000 1.097 45 A CA 0.259 52.300 52.037 0.007 0.000 0.821 45 A CB 0.806 19.810 19.000 0.006 0.000 1.076 45 A HN 1.246 nan 8.150 nan 0.000 0.490 46 A N 1.258 124.081 122.820 0.006 0.000 1.902 46 A HA 0.114 4.434 4.320 0.001 0.000 0.217 46 A C 2.151 179.740 177.584 0.007 0.000 1.181 46 A CA 2.066 54.107 52.037 0.006 0.000 0.623 46 A CB -1.310 17.693 19.000 0.006 0.000 0.818 46 A HN 1.535 nan 8.150 nan 0.000 0.443 47 G N -0.863 107.941 108.800 0.007 0.000 2.501 47 G HA2 -0.153 3.807 3.960 0.001 0.000 0.220 47 G HA3 -0.153 3.807 3.960 0.001 0.000 0.220 47 G C 1.102 176.007 174.900 0.009 0.000 1.114 47 G CA 0.905 46.010 45.100 0.008 0.000 0.757 47 G HN 0.491 nan 8.290 nan 0.000 0.559 48 E N -0.206 119.999 120.200 0.008 0.000 2.463 48 E HA 0.157 4.508 4.350 0.001 0.000 0.193 48 E C 0.184 176.790 176.600 0.009 0.000 1.041 48 E CA -0.155 56.251 56.400 0.009 0.000 0.879 48 E CB 0.783 30.488 29.700 0.008 0.000 0.997 48 E HN 0.173 nan 8.360 nan 0.000 0.478 49 V N 1.820 121.740 119.914 0.009 0.000 2.498 49 V HA 0.070 4.191 4.120 0.001 0.000 0.279 49 V C 1.150 177.253 176.094 0.015 0.000 1.048 49 V CA -0.084 62.221 62.300 0.009 0.000 0.967 49 V CB 1.346 33.171 31.823 0.004 0.000 0.988 49 V HN 0.108 nan 8.190 nan 0.000 0.473 50 N N 2.821 121.533 118.700 0.020 0.000 2.124 50 N HA 0.017 4.758 4.740 0.001 0.000 0.189 50 N C 0.452 175.989 175.510 0.045 0.000 1.050 50 N CA 0.849 53.918 53.050 0.032 0.000 0.848 50 N CB 0.297 38.807 38.487 0.037 0.000 1.027 50 N HN 0.794 nan 8.380 nan 0.000 0.435 51 E N -0.493 119.734 120.200 0.045 0.000 2.383 51 E HA 0.441 4.791 4.350 0.001 0.000 0.275 51 E C -1.843 174.749 176.600 -0.014 0.000 0.918 51 E CA -0.603 55.834 56.400 0.061 0.000 0.764 51 E CB 2.115 31.909 29.700 0.157 0.000 1.252 51 E HN -0.243 nan 8.360 nan 0.000 0.449 52 V N 4.761 124.640 119.914 -0.059 0.000 2.350 52 V HA 0.371 4.492 4.120 0.001 0.000 0.285 52 V C -0.373 175.507 176.094 -0.357 0.000 1.014 52 V CA -0.499 61.712 62.300 -0.147 0.000 0.831 52 V CB 1.079 32.848 31.823 -0.090 0.000 1.000 52 V HN 0.554 nan 8.190 nan 0.000 0.433 53 I N 6.721 127.008 120.570 -0.472 0.000 2.307 53 I HA 0.440 4.610 4.170 0.001 0.000 0.289 53 I C -0.639 175.169 176.117 -0.515 0.000 1.021 53 I CA -0.281 60.517 61.300 -0.838 0.000 1.224 53 I CB 1.085 38.540 38.000 -0.908 0.000 1.376 53 I HN 0.344 nan 8.210 nan 0.000 0.470 54 L N 6.148 127.105 121.223 -0.443 0.000 2.345 54 L HA 0.480 4.821 4.340 0.001 0.000 0.274 54 L C 0.717 177.476 176.870 -0.185 0.000 0.999 54 L CA -0.515 54.179 54.840 -0.244 0.000 0.849 54 L CB 1.725 43.693 42.059 -0.153 0.000 1.220 54 L HN 0.661 nan 8.230 nan 0.000 0.422 55 G N 2.315 111.021 108.800 -0.158 0.000 2.491 55 G HA2 0.336 4.296 3.960 0.001 0.000 0.238 55 G HA3 0.336 4.296 3.960 0.001 0.000 0.238 55 G C -0.640 174.224 174.900 -0.060 0.000 1.277 55 G CA 0.080 45.124 45.100 -0.093 0.000 0.851 55 G HN 0.645 nan 8.290 nan 0.000 0.573 56 Q N 1.341 121.121 119.800 -0.032 0.000 2.520 56 Q HA 0.165 4.506 4.340 0.001 0.000 0.237 56 Q C -0.441 175.555 176.000 -0.008 0.000 0.875 56 Q CA -0.726 55.065 55.803 -0.021 0.000 1.028 56 Q CB 1.346 30.075 28.738 -0.015 0.000 1.534 56 Q HN 0.296 nan 8.270 nan 0.000 0.471 57 V N 3.896 123.803 119.914 -0.010 0.000 2.649 57 V HA 0.019 4.140 4.120 0.001 0.000 0.248 57 V C 0.767 176.858 176.094 -0.006 0.000 1.054 57 V CA 0.984 63.279 62.300 -0.009 0.000 1.073 57 V CB 0.017 31.830 31.823 -0.015 0.000 0.699 57 V HN 0.670 nan 8.190 nan 0.000 0.463 58 L N 1.220 122.441 121.223 -0.003 0.000 2.502 58 L HA 0.325 4.665 4.340 0.001 0.000 0.247 58 L C -2.023 174.854 176.870 0.012 0.000 1.180 58 L CA -0.938 53.903 54.840 0.002 0.000 0.956 58 L CB 1.328 43.389 42.059 0.003 0.000 1.282 58 L HN 0.167 nan 8.230 nan 0.000 0.470 59 P HA 0.055 nan 4.420 nan 0.000 0.239 59 P C 0.766 178.081 177.300 0.026 0.000 1.188 59 P CA 0.052 63.165 63.100 0.023 0.000 0.794 59 P CB 0.376 32.089 31.700 0.021 0.000 0.937 60 A N 0.901 123.734 122.820 0.021 0.000 2.583 60 A HA 0.321 4.641 4.320 0.001 0.000 0.249 60 A C 1.639 179.242 177.584 0.032 0.000 1.035 60 A CA 1.056 53.108 52.037 0.024 0.000 0.777 60 A CB -1.484 17.530 19.000 0.022 0.000 0.942 60 A HN 0.432 nan 8.150 nan 0.000 0.516 61 G N 1.632 110.451 108.800 0.032 0.000 2.199 61 G HA2 -0.287 3.673 3.960 0.001 0.000 0.254 61 G HA3 -0.287 3.673 3.960 0.001 0.000 0.254 61 G C 0.757 175.680 174.900 0.038 0.000 0.982 61 G CA 0.777 45.898 45.100 0.036 0.000 0.632 61 G HN 0.892 nan 8.290 nan 0.000 0.529 62 E N 0.477 120.702 120.200 0.041 0.000 2.427 62 E HA 0.393 4.743 4.350 0.001 0.000 0.196 62 E C 1.416 178.028 176.600 0.020 0.000 1.028 62 E CA 1.110 57.542 56.400 0.054 0.000 0.864 62 E CB -0.133 29.615 29.700 0.080 0.000 0.813 62 E HN 1.729 nan 8.360 nan 0.000 0.514 63 G N 0.622 109.427 108.800 0.007 0.000 2.592 63 G HA2 -0.240 3.720 3.960 0.001 0.000 0.684 63 G HA3 -0.240 3.720 3.960 0.001 0.000 0.684 63 G C -0.951 173.937 174.900 -0.020 0.000 1.291 63 G CA -0.594 44.499 45.100 -0.013 0.000 0.891 63 G HN 0.223 nan 8.290 nan 0.000 0.544 64 Q N 0.253 120.040 119.800 -0.022 0.000 2.308 64 Q HA 0.141 4.481 4.340 0.001 0.000 0.313 64 Q C 1.055 177.041 176.000 -0.022 0.000 1.075 64 Q CA 0.883 56.677 55.803 -0.016 0.000 0.995 64 Q CB 0.137 28.867 28.738 -0.014 0.000 1.107 64 Q HN 0.918 nan 8.270 nan 0.000 0.380 65 N N 3.663 122.363 118.700 -0.000 0.000 2.676 65 N HA -0.174 4.566 4.740 0.001 0.000 0.290 65 N C -2.325 173.177 175.510 -0.013 0.000 1.109 65 N CA 0.018 53.075 53.050 0.012 0.000 0.779 65 N CB -0.038 38.469 38.487 0.033 0.000 0.947 65 N HN 0.397 nan 8.380 nan 0.000 0.566 66 P HA -0.106 nan 4.420 nan 0.000 0.221 66 P C 1.087 178.382 177.300 -0.007 0.000 1.145 66 P CA 1.764 64.848 63.100 -0.026 0.000 0.795 66 P CB 0.022 31.738 31.700 0.028 0.000 0.775 67 A N -0.012 122.804 122.820 -0.007 0.000 1.902 67 A HA -0.230 4.091 4.320 0.001 0.000 0.217 67 A C 2.411 179.984 177.584 -0.018 0.000 1.181 67 A CA 1.989 54.010 52.037 -0.026 0.000 0.623 67 A CB -1.001 17.969 19.000 -0.051 0.000 0.818 67 A HN 0.046 nan 8.150 nan 0.000 0.443 68 R N -0.119 120.377 120.500 -0.006 0.000 2.073 68 R HA -0.074 4.266 4.340 0.001 0.000 0.229 68 R C 2.247 178.529 176.300 -0.029 0.000 1.120 68 R CA 1.944 58.041 56.100 -0.005 0.000 0.967 68 R CB -0.677 29.627 30.300 0.007 0.000 0.862 68 R HN 0.663 nan 8.270 nan 0.000 0.436 69 Q N -0.253 119.502 119.800 -0.076 0.000 2.096 69 Q HA -0.219 4.122 4.340 0.001 0.000 0.208 69 Q C 2.108 178.088 176.000 -0.033 0.000 0.993 69 Q CA 2.089 57.799 55.803 -0.155 0.000 0.862 69 Q CB -0.346 28.127 28.738 -0.441 0.000 0.915 69 Q HN 0.494 nan 8.270 nan 0.000 0.416 70 A N 1.126 123.966 122.820 0.032 0.000 1.858 70 A HA -0.154 4.166 4.320 0.001 0.000 0.216 70 A C 2.347 179.956 177.584 0.042 0.000 1.190 70 A CA 1.771 53.860 52.037 0.087 0.000 0.617 70 A CB -0.940 18.096 19.000 0.059 0.000 0.827 70 A HN 0.427 nan 8.150 nan 0.000 0.443 71 A N -1.028 121.799 122.820 0.012 0.000 1.908 71 A HA -0.148 4.173 4.320 0.001 0.000 0.218 71 A C 2.243 179.835 177.584 0.012 0.000 1.181 71 A CA 2.027 54.067 52.037 0.005 0.000 0.627 71 A CB -0.478 18.520 19.000 -0.002 0.000 0.818 71 A HN 0.463 nan 8.150 nan 0.000 0.445 72 M N -0.876 118.731 119.600 0.011 0.000 2.156 72 M HA -0.084 4.397 4.480 0.001 0.000 0.264 72 M C 2.202 178.514 176.300 0.020 0.000 1.067 72 M CA 1.944 57.250 55.300 0.010 0.000 1.131 72 M CB -0.884 31.715 32.600 -0.001 0.000 1.368 72 M HN 0.569 nan 8.290 nan 0.000 0.416 73 K N 0.651 121.074 120.400 0.038 0.000 2.057 73 K HA -0.097 4.224 4.320 0.001 0.000 0.207 73 K C 1.880 178.501 176.600 0.034 0.000 1.049 73 K CA 1.666 57.984 56.287 0.052 0.000 0.931 73 K CB -0.127 32.438 32.500 0.108 0.000 0.714 73 K HN 0.214 nan 8.250 nan 0.000 0.440 74 A N -0.262 122.577 122.820 0.032 0.000 2.019 74 A HA 0.046 4.367 4.320 0.001 0.000 0.219 74 A C 1.680 179.271 177.584 0.011 0.000 1.164 74 A CA 1.614 53.663 52.037 0.020 0.000 0.644 74 A CB -0.605 18.405 19.000 0.017 0.000 0.805 74 A HN 0.667 nan 8.150 nan 0.000 0.449 75 G N -2.862 105.945 108.800 0.011 0.000 2.205 75 G HA2 -0.099 3.861 3.960 0.001 0.000 0.180 75 G HA3 -0.099 3.861 3.960 0.001 0.000 0.180 75 G C 0.063 174.967 174.900 0.007 0.000 1.004 75 G CA -0.099 45.006 45.100 0.008 0.000 0.670 75 G HN 0.727 nan 8.290 nan 0.000 0.496 76 V N 3.708 123.626 119.914 0.008 0.000 2.529 76 V HA 0.332 4.453 4.120 0.001 0.000 0.292 76 V C -0.821 175.278 176.094 0.009 0.000 1.028 76 V CA -0.808 61.496 62.300 0.007 0.000 1.074 76 V CB 0.916 32.742 31.823 0.006 0.000 0.958 76 V HN 0.296 nan 8.190 nan 0.000 0.481 77 P HA 0.015 nan 4.420 nan 0.000 0.270 77 P C 0.558 177.865 177.300 0.011 0.000 1.223 77 P CA -0.231 62.875 63.100 0.009 0.000 0.785 77 P CB 0.551 32.256 31.700 0.009 0.000 0.923 78 Q N 0.814 120.620 119.800 0.010 0.000 2.226 78 Q HA -0.219 4.121 4.340 0.001 0.000 0.204 78 Q C 1.036 177.045 176.000 0.014 0.000 0.975 78 Q CA 1.624 57.433 55.803 0.011 0.000 0.866 78 Q CB -0.476 28.267 28.738 0.008 0.000 0.915 78 Q HN 0.315 nan 8.270 nan 0.000 0.440 79 E N 1.424 121.632 120.200 0.013 0.000 2.204 79 E HA 0.016 4.366 4.350 0.001 0.000 0.195 79 E C 0.460 177.072 176.600 0.020 0.000 0.990 79 E CA 1.062 57.471 56.400 0.014 0.000 0.821 79 E CB -0.110 29.597 29.700 0.012 0.000 0.750 79 E HN 0.559 nan 8.360 nan 0.000 0.477 80 A N 0.172 123.005 122.820 0.023 0.000 2.246 80 A HA 0.550 4.870 4.320 0.001 0.000 0.291 80 A C 0.549 178.159 177.584 0.043 0.000 1.103 80 A CA -0.065 51.991 52.037 0.031 0.000 0.844 80 A CB 0.452 19.468 19.000 0.027 0.000 1.136 80 A HN 0.182 nan 8.150 nan 0.000 0.500 81 T N -2.827 111.767 114.554 0.066 0.000 2.927 81 T HA 0.850 5.200 4.350 0.001 0.000 0.286 81 T C -0.418 174.360 174.700 0.130 0.000 1.040 81 T CA -0.144 62.016 62.100 0.100 0.000 1.010 81 T CB 1.684 70.626 68.868 0.125 0.000 1.177 81 T HN 2.231 nan 8.240 nan 0.000 0.546 82 A N 0.795 123.733 122.820 0.197 0.000 2.594 82 A HA 0.695 5.015 4.320 0.001 0.000 0.296 82 A C -1.860 175.905 177.584 0.302 0.000 1.056 82 A CA -1.096 51.038 52.037 0.161 0.000 0.693 82 A CB 1.109 20.134 19.000 0.042 0.000 1.278 82 A HN 1.278 nan 8.150 nan 0.000 0.408 83 W N 0.706 121.998 121.300 -0.014 0.000 3.146 83 W HA 0.701 5.362 4.660 0.001 0.000 0.319 83 W C -0.290 176.219 176.519 -0.016 0.000 1.258 83 W CA -0.852 56.484 57.345 -0.016 0.000 1.189 83 W CB 0.858 30.309 29.460 -0.016 0.000 1.412 83 W HN 1.378 nan 8.180 nan 0.000 0.567 84 G N 1.374 110.281 108.800 0.178 0.000 2.434 84 G HA2 0.775 4.735 3.960 0.001 0.000 0.330 84 G HA3 0.775 4.735 3.960 0.001 0.000 0.330 84 G C -1.107 173.906 174.900 0.188 0.000 1.155 84 G CA -0.991 44.141 45.100 0.053 0.000 0.917 84 G HN 0.553 nan 8.290 nan 0.000 0.493 85 M N -0.181 119.463 119.600 0.074 0.000 2.531 85 M HA 0.607 5.087 4.480 0.001 0.000 0.286 85 M C -1.306 175.027 176.300 0.055 0.000 1.232 85 M CA -1.262 54.121 55.300 0.139 0.000 0.877 85 M CB 2.292 35.027 32.600 0.224 0.000 1.726 85 M HN 0.279 nan 8.290 nan 0.000 0.463 86 N N 1.183 119.921 118.700 0.063 0.000 2.573 86 N HA 0.333 5.074 4.740 0.001 0.000 0.262 86 N C -1.567 173.965 175.510 0.037 0.000 1.029 86 N CA -0.025 53.046 53.050 0.035 0.000 0.882 86 N CB 1.404 39.908 38.487 0.029 0.000 1.204 86 N HN 0.942 nan 8.380 nan 0.000 0.519 87 Q N 5.027 124.843 119.800 0.028 0.000 2.211 87 Q HA 0.335 4.675 4.340 0.001 0.000 0.301 87 Q C 0.174 176.191 176.000 0.028 0.000 0.884 87 Q CA -0.324 55.500 55.803 0.035 0.000 1.115 87 Q CB -0.032 28.730 28.738 0.042 0.000 1.217 87 Q HN 0.729 nan 8.270 nan 0.000 0.451 88 L N -2.070 119.162 121.223 0.016 0.000 7.010 88 L HA -0.467 3.873 4.340 0.001 0.000 0.053 88 L C 1.453 178.326 176.870 0.005 0.000 1.604 88 L CA 1.071 55.916 54.840 0.007 0.000 1.640 88 L CB -1.676 40.390 42.059 0.013 0.000 2.749 88 L HN 0.595 nan 8.230 nan 0.000 1.088 89 C N -0.889 118.415 119.300 0.007 0.000 2.503 89 C HA 0.201 4.661 4.460 0.001 0.000 0.285 89 C C 1.825 176.823 174.990 0.012 0.000 1.473 89 C CA 0.064 59.083 59.018 0.002 0.000 1.708 89 C CB -2.169 25.570 27.740 -0.000 0.000 1.638 89 C HN 0.795 nan 8.230 nan 0.000 0.585 90 G N 0.349 109.162 108.800 0.021 0.000 3.126 90 G HA2 0.188 4.148 3.960 0.001 0.000 0.224 90 G HA3 0.188 4.148 3.960 0.001 0.000 0.224 90 G C 1.458 176.360 174.900 0.003 0.000 1.142 90 G CA 0.586 45.702 45.100 0.026 0.000 0.759 90 G HN 0.539 nan 8.290 nan 0.000 0.550 91 S N 1.003 116.699 115.700 -0.008 0.000 2.345 91 S HA -0.068 4.403 4.470 0.001 0.000 0.220 91 S C 2.557 177.124 174.600 -0.055 0.000 1.031 91 S CA 1.200 59.384 58.200 -0.028 0.000 0.996 91 S CB -0.547 62.638 63.200 -0.024 0.000 0.882 91 S HN 0.445 nan 8.310 nan 0.000 0.445 92 G N 1.332 110.104 108.800 -0.047 0.000 2.450 92 G HA2 -0.170 3.791 3.960 0.001 0.000 0.220 92 G HA3 -0.170 3.791 3.960 0.001 0.000 0.220 92 G C 1.369 176.231 174.900 -0.063 0.000 1.130 92 G CA 0.984 46.050 45.100 -0.057 0.000 0.760 92 G HN 0.400 nan 8.290 nan 0.000 0.557 93 L N -0.121 121.072 121.223 -0.051 0.000 2.221 93 L HA 0.399 4.739 4.340 0.001 0.000 0.202 93 L C 2.613 179.415 176.870 -0.113 0.000 1.074 93 L CA 1.248 56.054 54.840 -0.055 0.000 0.795 93 L CB -0.608 41.444 42.059 -0.011 0.000 0.960 93 L HN 0.134 nan 8.230 nan 0.000 0.458 94 R N 0.708 121.139 120.500 -0.115 0.000 2.096 94 R HA -0.136 4.204 4.340 0.001 0.000 0.240 94 R C 2.200 178.358 176.300 -0.237 0.000 1.139 94 R CA 1.942 57.919 56.100 -0.204 0.000 0.952 94 R CB -1.081 29.144 30.300 -0.125 0.000 0.854 94 R HN 0.463 nan 8.270 nan 0.000 0.436 95 A N -0.323 122.392 122.820 -0.175 0.000 1.940 95 A HA -0.222 4.099 4.320 0.001 0.000 0.221 95 A C 2.333 179.789 177.584 -0.214 0.000 1.190 95 A CA 2.255 54.166 52.037 -0.211 0.000 0.647 95 A CB -0.921 17.948 19.000 -0.218 0.000 0.821 95 A HN 0.241 nan 8.150 nan 0.000 0.457 96 V N -0.833 118.968 119.914 -0.189 0.000 2.548 96 V HA -0.124 3.997 4.120 0.001 0.000 0.249 96 V C 2.930 178.898 176.094 -0.210 0.000 1.055 96 V CA 1.661 63.863 62.300 -0.164 0.000 1.065 96 V CB -1.032 30.722 31.823 -0.114 0.000 0.681 96 V HN 0.646 nan 8.190 nan 0.000 0.462 97 A N -0.059 122.552 122.820 -0.348 0.000 1.929 97 A HA -0.062 4.259 4.320 0.001 0.000 0.216 97 A C 2.193 179.520 177.584 -0.428 0.000 1.176 97 A CA 1.296 52.986 52.037 -0.578 0.000 0.628 97 A CB -0.412 17.787 19.000 -1.334 0.000 0.816 97 A HN 0.481 nan 8.150 nan 0.000 0.444 98 L N -0.594 120.436 121.223 -0.321 0.000 2.012 98 L HA -0.165 4.176 4.340 0.001 0.000 0.210 98 L C 2.857 179.710 176.870 -0.028 0.000 1.073 98 L CA 1.276 56.053 54.840 -0.105 0.000 0.748 98 L CB -0.990 41.074 42.059 0.008 0.000 0.891 98 L HN 0.485 nan 8.230 nan 0.000 0.431 99 G N -0.251 108.500 108.800 -0.081 0.000 2.442 99 G HA2 -0.316 3.644 3.960 0.001 0.000 0.219 99 G HA3 -0.316 3.644 3.960 0.001 0.000 0.219 99 G C 1.613 176.500 174.900 -0.022 0.000 1.141 99 G CA 0.895 45.967 45.100 -0.048 0.000 0.763 99 G HN 0.241 nan 8.290 nan 0.000 0.554 100 M N 0.288 119.860 119.600 -0.048 0.000 2.156 100 M HA -0.018 4.463 4.480 0.001 0.000 0.264 100 M C 2.455 178.769 176.300 0.023 0.000 1.067 100 M CA 1.531 56.823 55.300 -0.013 0.000 1.131 100 M CB -0.757 31.833 32.600 -0.016 0.000 1.368 100 M HN 0.324 nan 8.290 nan 0.000 0.416 101 Q N 0.196 120.014 119.800 0.031 0.000 2.061 101 Q HA -0.230 4.110 4.340 0.001 0.000 0.204 101 Q C 2.045 178.081 176.000 0.060 0.000 0.984 101 Q CA 1.926 57.771 55.803 0.069 0.000 0.846 101 Q CB -0.270 28.521 28.738 0.087 0.000 0.902 101 Q HN 0.578 nan 8.270 nan 0.000 0.421 102 Q N 0.186 120.024 119.800 0.063 0.000 2.133 102 Q HA -0.199 4.141 4.340 0.001 0.000 0.208 102 Q C 2.023 178.052 176.000 0.049 0.000 0.991 102 Q CA 1.480 57.324 55.803 0.067 0.000 0.867 102 Q CB -0.334 28.460 28.738 0.093 0.000 0.911 102 Q HN 0.522 nan 8.270 nan 0.000 0.417 103 I N -0.054 120.540 120.570 0.040 0.000 2.852 103 I HA -0.056 4.115 4.170 0.001 0.000 0.264 103 I C 2.011 178.147 176.117 0.032 0.000 1.179 103 I CA 0.569 61.889 61.300 0.032 0.000 1.480 103 I CB -0.211 37.803 38.000 0.024 0.000 1.111 103 I HN -0.007 nan 8.210 nan 0.000 0.441 104 A N 0.616 123.460 122.820 0.040 0.000 2.209 104 A HA -0.081 4.239 4.320 0.001 0.000 0.212 104 A C 2.080 179.688 177.584 0.039 0.000 1.158 104 A CA 1.682 53.744 52.037 0.042 0.000 0.742 104 A CB -0.811 18.224 19.000 0.057 0.000 0.790 104 A HN 0.485 nan 8.150 nan 0.000 0.472 105 T N -5.499 109.078 114.554 0.038 0.000 3.001 105 T HA 0.429 4.779 4.350 0.001 0.000 0.251 105 T C 1.376 176.091 174.700 0.025 0.000 1.040 105 T CA 0.957 63.077 62.100 0.032 0.000 0.985 105 T CB 0.415 69.304 68.868 0.035 0.000 1.011 105 T HN 1.477 nan 8.240 nan 0.000 0.509 106 G N 1.929 110.744 108.800 0.025 0.000 2.157 106 G HA2 -0.236 3.725 3.960 0.001 0.000 0.248 106 G HA3 -0.236 3.725 3.960 0.001 0.000 0.248 106 G C 0.444 175.356 174.900 0.021 0.000 0.979 106 G CA 0.295 45.407 45.100 0.021 0.000 0.650 106 G HN 0.505 nan 8.290 nan 0.000 0.529 107 D N 0.352 120.768 120.400 0.026 0.000 2.317 107 D HA 0.459 5.100 4.640 0.001 0.000 0.211 107 D C 1.364 177.683 176.300 0.032 0.000 0.966 107 D CA 1.578 55.594 54.000 0.026 0.000 0.876 107 D CB 0.312 41.129 40.800 0.028 0.000 0.927 107 D HN 1.173 nan 8.370 nan 0.000 0.519 108 A N -1.007 121.833 122.820 0.034 0.000 2.612 108 A HA 0.562 4.882 4.320 0.001 0.000 0.293 108 A C 0.332 177.932 177.584 0.027 0.000 1.075 108 A CA -0.472 51.586 52.037 0.034 0.000 0.680 108 A CB 1.322 20.351 19.000 0.048 0.000 1.279 108 A HN -0.116 nan 8.150 nan 0.000 0.411 109 S N -0.276 115.438 115.700 0.023 0.000 2.545 109 S HA 0.396 4.867 4.470 0.001 0.000 0.232 109 S C 0.287 174.896 174.600 0.014 0.000 1.070 109 S CA 0.610 58.820 58.200 0.017 0.000 0.923 109 S CB 0.064 63.273 63.200 0.015 0.000 0.806 109 S HN 0.555 nan 8.310 nan 0.000 0.506 110 I N 2.503 123.081 120.570 0.014 0.000 2.512 110 I HA 0.419 4.590 4.170 0.001 0.000 0.287 110 I C -1.487 174.633 176.117 0.006 0.000 1.069 110 I CA -0.407 60.898 61.300 0.008 0.000 1.056 110 I CB 2.019 40.023 38.000 0.007 0.000 1.229 110 I HN 0.051 nan 8.210 nan 0.000 0.429 111 I N 6.453 127.021 120.570 -0.004 0.000 2.545 111 I HA 0.404 4.575 4.170 0.001 0.000 0.292 111 I C -0.307 175.789 176.117 -0.036 0.000 1.040 111 I CA -0.872 60.417 61.300 -0.017 0.000 1.068 111 I CB 2.319 40.308 38.000 -0.018 0.000 1.251 111 I HN 0.116 nan 8.210 nan 0.000 0.424 112 V N 4.906 124.791 119.914 -0.049 0.000 2.383 112 V HA 0.754 4.875 4.120 0.001 0.000 0.275 112 V C 0.310 176.341 176.094 -0.105 0.000 1.036 112 V CA -0.316 61.948 62.300 -0.060 0.000 0.889 112 V CB 1.281 33.076 31.823 -0.046 0.000 0.985 112 V HN 0.901 nan 8.190 nan 0.000 0.459 113 A N 3.668 126.426 122.820 -0.105 0.000 2.486 113 A HA 1.023 5.343 4.320 0.001 0.000 0.300 113 A C 0.044 177.557 177.584 -0.118 0.000 1.048 113 A CA 0.159 52.106 52.037 -0.150 0.000 0.696 113 A CB 2.117 21.018 19.000 -0.165 0.000 1.278 113 A HN 1.305 nan 8.150 nan 0.000 0.405 114 G N -0.325 108.393 108.800 -0.136 0.000 2.485 114 G HA2 0.712 4.673 3.960 0.001 0.000 0.182 114 G HA3 0.712 4.673 3.960 0.001 0.000 0.182 114 G C -0.201 174.634 174.900 -0.107 0.000 1.172 114 G CA 0.494 45.535 45.100 -0.098 0.000 0.996 114 G HN 2.007 nan 8.290 nan 0.000 0.496 115 G N -0.670 108.082 108.800 -0.080 0.000 2.660 115 G HA2 0.765 4.725 3.960 0.001 0.000 0.290 115 G HA3 0.765 4.725 3.960 0.001 0.000 0.290 115 G C -0.785 174.077 174.900 -0.064 0.000 1.432 115 G CA 0.055 45.110 45.100 -0.076 0.000 0.807 115 G HN 1.547 nan 8.290 nan 0.000 0.485 116 M N -0.516 119.048 119.600 -0.059 0.000 2.465 116 M HA 0.902 5.382 4.480 0.001 0.000 0.284 116 M C -1.926 174.345 176.300 -0.049 0.000 1.212 116 M CA -0.919 54.344 55.300 -0.061 0.000 0.910 116 M CB 2.781 35.342 32.600 -0.065 0.000 1.725 116 M HN 0.464 nan 8.290 nan 0.000 0.477 117 E N 0.748 120.917 120.200 -0.052 0.000 2.335 117 E HA 0.479 4.830 4.350 0.001 0.000 0.280 117 E C -1.848 174.736 176.600 -0.028 0.000 0.918 117 E CA -0.224 56.157 56.400 -0.032 0.000 0.765 117 E CB 2.568 32.253 29.700 -0.025 0.000 1.218 117 E HN 0.704 nan 8.360 nan 0.000 0.425 118 S N 5.144 120.839 115.700 -0.009 0.000 2.252 118 S HA 0.245 4.715 4.470 0.001 0.000 0.180 118 S C 0.837 175.471 174.600 0.056 0.000 1.534 118 S CA -0.342 57.865 58.200 0.012 0.000 1.141 118 S CB -0.064 63.130 63.200 -0.010 0.000 1.122 118 S HN 0.703 nan 8.310 nan 0.000 0.475 119 M N 1.351 121.006 119.600 0.091 0.000 2.149 119 M HA -0.094 4.387 4.480 0.001 0.000 0.261 119 M C 2.267 178.738 176.300 0.286 0.000 1.064 119 M CA 1.406 56.804 55.300 0.163 0.000 1.102 119 M CB -0.552 32.129 32.600 0.136 0.000 1.369 119 M HN 0.535 nan 8.290 nan 0.000 0.408 120 S N 0.362 116.188 115.700 0.211 0.000 2.370 120 S HA -0.090 4.380 4.470 0.001 0.000 0.226 120 S C 1.792 176.396 174.600 0.007 0.000 1.033 120 S CA 1.217 59.416 58.200 -0.002 0.000 1.011 120 S CB -0.175 62.971 63.200 -0.091 0.000 0.852 120 S HN 0.439 nan 8.310 nan 0.000 0.457 121 M N 0.936 120.557 119.600 0.035 0.000 2.595 121 M HA 0.249 4.730 4.480 0.001 0.000 0.248 121 M C 0.877 177.206 176.300 0.049 0.000 1.119 121 M CA -0.054 55.264 55.300 0.030 0.000 1.079 121 M CB -1.398 31.216 32.600 0.023 0.000 1.472 121 M HN 0.181 nan 8.290 nan 0.000 0.501 122 A N 3.645 126.503 122.820 0.062 0.000 2.548 122 A HA 0.272 4.593 4.320 0.001 0.000 0.247 122 A C -1.932 175.681 177.584 0.049 0.000 1.067 122 A CA -0.723 51.343 52.037 0.048 0.000 0.757 122 A CB -0.795 18.230 19.000 0.042 0.000 0.996 122 A HN 0.168 nan 8.150 nan 0.000 0.504 123 P HA 0.342 nan 4.420 nan 0.000 0.279 123 P C -0.726 176.607 177.300 0.054 0.000 1.276 123 P CA -0.292 62.865 63.100 0.097 0.000 0.801 123 P CB 0.596 32.349 31.700 0.088 0.000 1.127 124 H N -1.352 117.752 119.070 0.056 0.000 2.483 124 H HA 0.468 5.025 4.556 0.001 0.000 0.338 124 H C 0.262 175.631 175.328 0.069 0.000 1.152 124 H CA -0.014 56.072 56.048 0.063 0.000 1.264 124 H CB 0.513 30.312 29.762 0.061 0.000 1.510 124 H HN 0.611 nan 8.280 nan 0.000 0.530 125 C N 0.556 119.963 119.300 0.179 0.000 3.171 125 C HA 0.994 5.454 4.460 0.001 0.000 0.308 125 C C -0.817 174.270 174.990 0.162 0.000 1.334 125 C CA -0.723 58.379 59.018 0.140 0.000 1.473 125 C CB 0.796 28.590 27.740 0.089 0.000 1.866 125 C HN 1.015 nan 8.230 nan 0.000 0.465 126 A N 0.487 123.394 122.820 0.145 0.000 2.517 126 A HA 0.636 4.956 4.320 0.001 0.000 0.297 126 A C -1.072 176.551 177.584 0.065 0.000 1.050 126 A CA -0.231 51.890 52.037 0.140 0.000 0.694 126 A CB 0.662 19.809 19.000 0.246 0.000 1.277 126 A HN 1.333 nan 8.150 nan 0.000 0.400 127 H N 3.265 122.309 119.070 -0.043 0.000 2.944 127 H HA 0.447 5.004 4.556 0.001 0.000 0.278 127 H C -0.626 174.610 175.328 -0.152 0.000 1.083 127 H CA 0.278 56.282 56.048 -0.073 0.000 1.479 127 H CB 0.571 30.303 29.762 -0.050 0.000 1.486 127 H HN 0.569 nan 8.280 nan 0.000 0.493 128 L N 4.495 125.429 121.223 -0.483 0.000 3.086 128 L HA 0.158 4.499 4.340 0.001 0.000 0.274 128 L C 2.432 179.070 176.870 -0.387 0.000 1.184 128 L CA -0.100 54.464 54.840 -0.461 0.000 1.002 128 L CB 0.235 42.108 42.059 -0.310 0.000 1.383 128 L HN 0.546 nan 8.230 nan 0.000 0.582 129 R N 0.524 120.787 120.500 -0.396 0.000 2.117 129 R HA -0.148 4.192 4.340 0.001 0.000 0.243 129 R C 2.169 178.357 176.300 -0.187 0.000 1.143 129 R CA 1.774 57.746 56.100 -0.213 0.000 0.968 129 R CB -0.377 29.860 30.300 -0.106 0.000 0.863 129 R HN 0.404 nan 8.270 nan 0.000 0.444 130 G N -0.537 108.114 108.800 -0.249 0.000 2.443 130 G HA2 0.133 4.094 3.960 0.001 0.000 0.219 130 G HA3 0.133 4.094 3.960 0.001 0.000 0.219 130 G C 0.426 175.246 174.900 -0.132 0.000 1.131 130 G CA 0.545 45.555 45.100 -0.149 0.000 0.775 130 G HN 0.644 nan 8.290 nan 0.000 0.547 131 G N -1.843 106.849 108.800 -0.181 0.000 2.719 131 G HA2 0.072 4.032 3.960 0.001 0.000 0.686 131 G HA3 0.072 4.032 3.960 0.001 0.000 0.686 131 G C -0.705 174.114 174.900 -0.134 0.000 1.201 131 G CA -0.453 44.562 45.100 -0.141 0.000 0.768 131 G HN 0.862 nan 8.290 nan 0.000 0.629 132 V N 4.217 124.065 119.914 -0.109 0.000 2.277 132 V HA 0.268 4.389 4.120 0.001 0.000 0.269 132 V C 1.570 177.669 176.094 0.009 0.000 1.036 132 V CA -0.520 61.748 62.300 -0.053 0.000 0.821 132 V CB 1.132 32.943 31.823 -0.022 0.000 1.052 132 V HN 0.809 nan 8.190 nan 0.000 0.462 133 K N 3.640 124.041 120.400 0.002 0.000 2.059 133 K HA -0.089 4.231 4.320 0.001 0.000 0.212 133 K C 0.577 177.193 176.600 0.028 0.000 1.050 133 K CA 1.841 58.135 56.287 0.011 0.000 0.927 133 K CB -0.010 32.494 32.500 0.007 0.000 0.714 133 K HN 0.814 nan 8.250 nan 0.000 0.447 134 M N -3.705 115.920 119.600 0.041 0.000 2.694 134 M HA 0.447 4.927 4.480 0.001 0.000 0.276 134 M C -0.992 175.349 176.300 0.067 0.000 1.167 134 M CA -0.049 55.281 55.300 0.050 0.000 0.849 134 M CB 2.275 34.895 32.600 0.034 0.000 1.705 134 M HN 0.220 nan 8.290 nan 0.000 0.504 135 G N 1.592 110.433 108.800 0.068 0.000 2.663 135 G HA2 0.012 3.973 3.960 0.001 0.000 0.686 135 G HA3 0.012 3.973 3.960 0.001 0.000 0.686 135 G C -1.640 173.320 174.900 0.099 0.000 1.246 135 G CA -0.483 44.658 45.100 0.069 0.000 0.795 135 G HN 1.000 nan 8.290 nan 0.000 0.627 136 D N -0.186 120.245 120.400 0.053 0.000 2.382 136 D HA 0.586 5.226 4.640 0.001 0.000 0.240 136 D C 0.674 177.037 176.300 0.104 0.000 1.146 136 D CA 1.052 55.050 54.000 -0.003 0.000 0.897 136 D CB 0.516 41.293 40.800 -0.038 0.000 1.197 136 D HN 0.700 nan 8.370 nan 0.000 0.432 137 F N -1.860 118.100 119.950 0.016 0.000 2.629 137 F HA 0.656 5.183 4.527 0.000 0.000 0.316 137 F C -0.426 175.392 175.800 0.030 0.000 1.081 137 F CA -1.491 56.523 58.000 0.023 0.000 0.954 137 F CB 1.135 40.146 39.000 0.019 0.000 1.337 137 F HN -0.208 nan 8.300 nan 0.000 0.474 138 K N 1.966 122.541 120.400 0.291 0.000 2.227 138 K HA 0.402 4.723 4.320 0.001 0.000 0.280 138 K C -0.669 176.085 176.600 0.256 0.000 1.041 138 K CA -0.465 55.927 56.287 0.175 0.000 0.905 138 K CB 0.851 33.440 32.500 0.147 0.000 1.068 138 K HN 0.583 nan 8.250 nan 0.000 0.470 139 M N 4.951 124.642 119.600 0.152 0.000 2.077 139 M HA 0.270 4.751 4.480 0.001 0.000 0.348 139 M C -0.539 175.901 176.300 0.234 0.000 1.252 139 M CA -0.547 54.875 55.300 0.202 0.000 1.096 139 M CB 0.519 33.194 32.600 0.125 0.000 1.568 139 M HN 0.326 nan 8.290 nan 0.000 0.456 140 I N 2.659 123.349 120.570 0.200 0.000 2.342 140 I HA 0.127 4.298 4.170 0.001 0.000 0.291 140 I C 0.498 176.633 176.117 0.029 0.000 1.010 140 I CA -0.455 60.922 61.300 0.128 0.000 1.308 140 I CB 0.824 38.873 38.000 0.082 0.000 1.400 140 I HN 0.482 nan 8.210 nan 0.000 0.488 141 D N 5.190 125.540 120.400 -0.083 0.000 2.342 141 D HA -0.002 4.638 4.640 0.001 0.000 0.260 141 D C 1.512 177.691 176.300 -0.202 0.000 1.278 141 D CA 0.043 53.784 54.000 -0.432 0.000 0.910 141 D CB 1.025 41.645 40.800 -0.299 0.000 1.079 141 D HN 0.715 nan 8.370 nan 0.000 0.496 142 T N 1.427 115.874 114.554 -0.179 0.000 2.803 142 T HA -0.263 4.087 4.350 0.001 0.000 0.269 142 T C 2.002 176.660 174.700 -0.069 0.000 1.052 142 T CA 1.012 63.064 62.100 -0.081 0.000 1.136 142 T CB -0.218 68.624 68.868 -0.043 0.000 0.864 142 T HN 0.500 nan 8.240 nan 0.000 0.467 143 M N 0.334 119.888 119.600 -0.075 0.000 2.080 143 M HA -0.049 4.431 4.480 0.001 0.000 0.260 143 M C 1.940 178.209 176.300 -0.052 0.000 1.068 143 M CA 1.858 57.135 55.300 -0.040 0.000 1.109 143 M CB -0.220 32.383 32.600 0.005 0.000 1.342 143 M HN 0.190 nan 8.290 nan 0.000 0.405 144 I N 0.341 120.882 120.570 -0.048 0.000 2.233 144 I HA -0.206 3.964 4.170 0.001 0.000 0.243 144 I C 2.386 178.469 176.117 -0.057 0.000 1.093 144 I CA 1.282 62.561 61.300 -0.035 0.000 1.380 144 I CB -1.468 36.547 38.000 0.026 0.000 1.067 144 I HN 0.313 nan 8.210 nan 0.000 0.413 145 K N 1.629 122.001 120.400 -0.046 0.000 2.032 145 K HA -0.188 4.132 4.320 0.001 0.000 0.209 145 K C 1.441 178.000 176.600 -0.067 0.000 1.048 145 K CA 1.900 58.158 56.287 -0.047 0.000 0.927 145 K CB -0.214 32.267 32.500 -0.032 0.000 0.712 145 K HN 0.210 nan 8.250 nan 0.000 0.441 146 D N -1.944 118.418 120.400 -0.063 0.000 2.366 146 D HA 0.125 4.765 4.640 0.001 0.000 0.205 146 D C 1.441 177.702 176.300 -0.065 0.000 1.022 146 D CA 0.990 54.953 54.000 -0.062 0.000 0.868 146 D CB 0.577 41.350 40.800 -0.044 0.000 0.953 146 D HN 0.417 nan 8.370 nan 0.000 0.514 147 G N -0.201 108.556 108.800 -0.071 0.000 2.727 147 G HA2 0.106 4.067 3.960 0.001 0.000 0.203 147 G HA3 0.106 4.067 3.960 0.001 0.000 0.203 147 G C 1.305 176.145 174.900 -0.100 0.000 1.117 147 G CA -0.083 44.975 45.100 -0.070 0.000 0.817 147 G HN 0.166 nan 8.290 nan 0.000 0.553 148 L N 0.984 122.114 121.223 -0.155 0.000 2.731 148 L HA 0.296 4.636 4.340 0.001 0.000 0.240 148 L C 0.104 176.742 176.870 -0.386 0.000 1.120 148 L CA 0.214 54.866 54.840 -0.313 0.000 0.913 148 L CB 1.008 42.813 42.059 -0.424 0.000 1.213 148 L HN -0.034 nan 8.230 nan 0.000 0.515 149 T N -0.600 113.832 114.554 -0.204 0.000 2.797 149 T HA 0.183 4.533 4.350 0.001 0.000 0.279 149 T C -0.691 173.935 174.700 -0.123 0.000 0.991 149 T CA -0.448 61.571 62.100 -0.134 0.000 0.979 149 T CB 2.192 71.014 68.868 -0.077 0.000 0.943 149 T HN -0.088 nan 8.240 nan 0.000 0.444 150 D N 1.892 122.232 120.400 -0.100 0.000 2.371 150 D HA 0.380 5.021 4.640 0.001 0.000 0.256 150 D C 1.099 177.252 176.300 -0.246 0.000 1.193 150 D CA -0.324 53.593 54.000 -0.137 0.000 0.881 150 D CB 0.744 41.500 40.800 -0.074 0.000 1.143 150 D HN 0.551 nan 8.370 nan 0.000 0.473 151 A N 3.486 126.041 122.820 -0.441 0.000 2.121 151 A HA -0.073 4.247 4.320 0.001 0.000 0.218 151 A C 1.271 178.536 177.584 -0.531 0.000 1.154 151 A CA 0.848 52.569 52.037 -0.528 0.000 0.679 151 A CB -0.480 18.122 19.000 -0.663 0.000 0.795 151 A HN 0.629 nan 8.150 nan 0.000 0.458 152 F N -3.076 116.785 119.950 -0.148 0.000 2.383 152 F HA 0.174 4.702 4.527 0.001 0.000 0.287 152 F C 1.744 177.253 175.800 -0.486 0.000 1.069 152 F CA 0.537 58.361 58.000 -0.293 0.000 1.402 152 F CB -0.456 38.362 39.000 -0.302 0.000 1.116 152 F HN 0.220 nan 8.300 nan 0.000 0.549 153 Y N -0.652 119.550 120.300 -0.163 0.000 2.481 153 Y HA 0.395 4.946 4.550 0.001 0.000 0.258 153 Y C 2.032 177.675 175.900 -0.428 0.000 1.103 153 Y CA 0.341 58.205 58.100 -0.393 0.000 1.287 153 Y CB 0.316 38.275 38.460 -0.834 0.000 1.108 153 Y HN 0.136 nan 8.280 nan 0.000 0.529 154 G N -0.164 108.500 108.800 -0.226 0.000 2.176 154 G HA2 -0.329 3.631 3.960 0.001 0.000 0.253 154 G HA3 -0.329 3.631 3.960 0.001 0.000 0.253 154 G C -0.069 174.832 174.900 0.000 0.000 0.979 154 G CA 0.402 45.444 45.100 -0.097 0.000 0.641 154 G HN 0.404 nan 8.290 nan 0.000 0.530 155 Y N -0.422 119.947 120.300 0.115 0.000 2.596 155 Y HA 0.831 5.381 4.550 0.001 0.000 0.326 155 Y C 0.514 176.471 175.900 0.095 0.000 1.167 155 Y CA -2.753 55.414 58.100 0.111 0.000 1.246 155 Y CB 0.326 38.847 38.460 0.102 0.000 1.347 155 Y HN 0.225 nan 8.280 nan 0.000 0.515 156 H N 2.374 121.633 119.070 0.314 0.000 2.707 156 H HA 0.099 4.655 4.556 0.001 0.000 0.359 156 H C 1.142 176.490 175.328 0.034 0.000 1.113 156 H CA 0.088 56.231 56.048 0.158 0.000 1.422 156 H CB 1.142 31.027 29.762 0.204 0.000 1.443 156 H HN 0.822 nan 8.280 nan 0.000 0.591 157 M N 3.416 123.077 119.600 0.103 0.000 2.116 157 M HA -0.174 4.307 4.480 0.001 0.000 0.255 157 M C 2.391 178.520 176.300 -0.285 0.000 1.075 157 M CA 1.661 57.019 55.300 0.096 0.000 1.087 157 M CB -1.785 30.988 32.600 0.289 0.000 1.340 157 M HN 0.822 nan 8.290 nan 0.000 0.402 158 G N -0.109 108.439 108.800 -0.419 0.000 2.556 158 G HA2 -0.298 3.662 3.960 0.001 0.000 0.220 158 G HA3 -0.298 3.662 3.960 0.001 0.000 0.220 158 G C 1.525 175.758 174.900 -1.112 0.000 1.156 158 G CA 1.949 46.076 45.100 -1.623 0.000 0.766 158 G HN 0.462 nan 8.290 nan 0.000 0.583 159 T N 0.878 115.034 114.554 -0.663 0.000 2.720 159 T HA -0.190 4.160 4.350 0.001 0.000 0.268 159 T C 2.761 177.183 174.700 -0.462 0.000 1.037 159 T CA 2.396 64.191 62.100 -0.509 0.000 1.144 159 T CB -0.720 67.754 68.868 -0.657 0.000 0.864 159 T HN 0.644 nan 8.240 nan 0.000 0.444 160 T N 0.596 114.958 114.554 -0.318 0.000 2.929 160 T HA 0.087 4.437 4.350 0.001 0.000 0.271 160 T C 2.130 176.658 174.700 -0.286 0.000 1.085 160 T CA 1.078 63.061 62.100 -0.196 0.000 1.125 160 T CB -0.407 68.439 68.868 -0.036 0.000 0.874 160 T HN 0.335 nan 8.240 nan 0.000 0.494 161 A N 1.572 124.072 122.820 -0.535 0.000 1.929 161 A HA 0.007 4.327 4.320 0.001 0.000 0.216 161 A C 2.456 179.857 177.584 -0.305 0.000 1.176 161 A CA 1.093 52.823 52.037 -0.511 0.000 0.628 161 A CB -0.464 17.936 19.000 -1.000 0.000 0.816 161 A HN 0.442 nan 8.150 nan 0.000 0.444 162 E N 0.764 120.770 120.200 -0.325 0.000 2.118 162 E HA -0.177 4.174 4.350 0.001 0.000 0.195 162 E C 1.627 178.136 176.600 -0.152 0.000 0.992 162 E CA 1.251 57.529 56.400 -0.203 0.000 0.804 162 E CB -0.345 29.227 29.700 -0.213 0.000 0.741 162 E HN 0.611 nan 8.360 nan 0.000 0.458 163 N N 0.367 118.961 118.700 -0.177 0.000 2.135 163 N HA -0.103 4.638 4.740 0.001 0.000 0.186 163 N C 2.121 177.604 175.510 -0.045 0.000 1.027 163 N CA 0.701 53.680 53.050 -0.119 0.000 0.849 163 N CB -0.651 37.754 38.487 -0.137 0.000 1.002 163 N HN -0.014 nan 8.380 nan 0.000 0.425 164 V N 1.986 121.887 119.914 -0.022 0.000 2.287 164 V HA -0.251 3.869 4.120 0.001 0.000 0.248 164 V C 2.435 178.629 176.094 0.166 0.000 1.053 164 V CA 1.894 64.258 62.300 0.106 0.000 1.027 164 V CB -1.042 30.823 31.823 0.069 0.000 0.646 164 V HN 0.314 nan 8.190 nan 0.000 0.447 165 A N -0.049 122.800 122.820 0.048 0.000 1.852 165 A HA -0.340 3.981 4.320 0.001 0.000 0.217 165 A C 2.222 179.850 177.584 0.074 0.000 1.215 165 A CA 2.577 54.647 52.037 0.056 0.000 0.641 165 A CB -0.738 18.257 19.000 -0.008 0.000 0.838 165 A HN 0.547 nan 8.150 nan 0.000 0.450 166 K N -0.944 119.465 120.400 0.015 0.000 2.127 166 K HA -0.284 4.036 4.320 0.001 0.000 0.208 166 K C 2.416 179.015 176.600 -0.002 0.000 1.047 166 K CA 1.952 58.238 56.287 -0.002 0.000 0.927 166 K CB -0.209 32.270 32.500 -0.034 0.000 0.716 166 K HN 0.697 nan 8.250 nan 0.000 0.450 167 Q N -0.581 119.221 119.800 0.004 0.000 2.084 167 Q HA -0.165 4.176 4.340 0.001 0.000 0.202 167 Q C 1.079 176.998 176.000 -0.135 0.000 0.978 167 Q CA 1.486 57.245 55.803 -0.073 0.000 0.844 167 Q CB 0.025 28.726 28.738 -0.063 0.000 0.898 167 Q HN 0.419 nan 8.270 nan 0.000 0.426 168 W N 0.725 121.996 121.300 -0.047 0.000 3.353 168 W HA 0.176 4.836 4.660 0.001 0.000 0.304 168 W C -0.021 176.478 176.519 -0.033 0.000 1.273 168 W CA 0.026 57.346 57.345 -0.041 0.000 1.773 168 W CB 0.452 29.885 29.460 -0.045 0.000 1.095 168 W HN 0.216 nan 8.180 nan 0.000 0.676 169 Q N 0.040 119.911 119.800 0.118 0.000 2.461 169 Q HA -0.230 4.111 4.340 0.001 0.000 0.273 169 Q C -0.258 175.798 176.000 0.093 0.000 1.163 169 Q CA 0.401 56.248 55.803 0.073 0.000 0.929 169 Q CB -2.227 26.538 28.738 0.045 0.000 1.334 169 Q HN 0.327 nan 8.270 nan 0.000 0.499 170 L N 1.808 123.098 121.223 0.112 0.000 2.369 170 L HA 0.167 4.508 4.340 0.001 0.000 0.279 170 L C 1.085 177.986 176.870 0.050 0.000 1.108 170 L CA -0.176 54.712 54.840 0.079 0.000 0.852 170 L CB 0.559 42.654 42.059 0.059 0.000 1.169 170 L HN 0.165 nan 8.230 nan 0.000 0.452 171 S N 2.213 117.941 115.700 0.047 0.000 2.579 171 S HA 0.091 4.561 4.470 0.001 0.000 0.275 171 S C 0.990 175.615 174.600 0.040 0.000 1.345 171 S CA -0.736 57.488 58.200 0.039 0.000 1.031 171 S CB 1.441 64.664 63.200 0.039 0.000 0.892 171 S HN 0.697 nan 8.310 nan 0.000 0.529 172 R N 1.181 121.703 120.500 0.036 0.000 2.105 172 R HA -0.139 4.202 4.340 0.001 0.000 0.239 172 R C 1.005 177.334 176.300 0.048 0.000 1.135 172 R CA 2.212 58.337 56.100 0.041 0.000 0.967 172 R CB -0.962 29.359 30.300 0.034 0.000 0.861 172 R HN 0.769 nan 8.270 nan 0.000 0.442 173 D N -0.004 120.422 120.400 0.044 0.000 2.123 173 D HA -0.149 4.492 4.640 0.001 0.000 0.200 173 D C 1.612 177.948 176.300 0.059 0.000 0.976 173 D CA 1.407 55.434 54.000 0.046 0.000 0.831 173 D CB -0.320 40.502 40.800 0.038 0.000 0.974 173 D HN 0.513 nan 8.370 nan 0.000 0.469 174 E N 0.537 120.774 120.200 0.061 0.000 2.150 174 E HA -0.194 4.157 4.350 0.001 0.000 0.193 174 E C 1.800 178.463 176.600 0.104 0.000 0.985 174 E CA 0.800 57.246 56.400 0.077 0.000 0.814 174 E CB 0.150 29.889 29.700 0.065 0.000 0.752 174 E HN 0.330 nan 8.360 nan 0.000 0.466 175 Q N 0.243 120.094 119.800 0.086 0.000 2.016 175 Q HA -0.160 4.181 4.340 0.001 0.000 0.200 175 Q C 1.906 177.995 176.000 0.149 0.000 0.978 175 Q CA 1.526 57.390 55.803 0.102 0.000 0.833 175 Q CB -0.046 28.735 28.738 0.071 0.000 0.895 175 Q HN 0.262 nan 8.270 nan 0.000 0.427 176 D N 0.619 121.084 120.400 0.109 0.000 2.149 176 D HA -0.136 4.505 4.640 0.001 0.000 0.198 176 D C 1.745 178.104 176.300 0.099 0.000 0.990 176 D CA 1.257 55.315 54.000 0.096 0.000 0.839 176 D CB -0.234 40.605 40.800 0.064 0.000 0.948 176 D HN 0.271 nan 8.370 nan 0.000 0.460 177 A N 0.233 123.114 122.820 0.102 0.000 1.908 177 A HA -0.201 4.119 4.320 0.001 0.000 0.218 177 A C 2.127 179.777 177.584 0.109 0.000 1.181 177 A CA 1.169 53.259 52.037 0.089 0.000 0.627 177 A CB -1.017 18.036 19.000 0.088 0.000 0.818 177 A HN 0.293 nan 8.150 nan 0.000 0.445 178 F N 0.688 120.652 119.950 0.023 0.000 2.186 178 F HA 0.040 4.567 4.527 0.001 0.000 0.299 178 F C 2.492 178.305 175.800 0.023 0.000 1.090 178 F CA 0.993 59.008 58.000 0.024 0.000 1.307 178 F CB -0.309 38.707 39.000 0.027 0.000 1.019 178 F HN 0.251 nan 8.300 nan 0.000 0.489 179 A N -0.075 122.881 122.820 0.226 0.000 1.877 179 A HA -0.145 4.176 4.320 0.001 0.000 0.216 179 A C 2.268 179.850 177.584 -0.004 0.000 1.186 179 A CA 2.084 54.199 52.037 0.130 0.000 0.620 179 A CB -1.391 17.689 19.000 0.133 0.000 0.822 179 A HN 0.246 nan 8.150 nan 0.000 0.443 180 V N -0.001 119.907 119.914 -0.009 0.000 2.343 180 V HA -0.266 3.855 4.120 0.001 0.000 0.247 180 V C 3.041 179.085 176.094 -0.083 0.000 1.051 180 V CA 1.950 64.227 62.300 -0.038 0.000 1.036 180 V CB -1.439 30.372 31.823 -0.019 0.000 0.654 180 V HN 0.627 nan 8.190 nan 0.000 0.451 181 A N -0.329 122.411 122.820 -0.132 0.000 1.883 181 A HA -0.278 4.042 4.320 0.001 0.000 0.217 181 A C 2.583 180.047 177.584 -0.200 0.000 1.186 181 A CA 2.433 54.362 52.037 -0.179 0.000 0.624 181 A CB -0.989 17.857 19.000 -0.256 0.000 0.822 181 A HN 0.493 nan 8.150 nan 0.000 0.444 182 S N -1.074 114.462 115.700 -0.272 0.000 2.370 182 S HA -0.224 4.246 4.470 0.001 0.000 0.226 182 S C 2.191 176.732 174.600 -0.098 0.000 1.033 182 S CA 1.720 59.800 58.200 -0.200 0.000 1.011 182 S CB -0.405 62.695 63.200 -0.167 0.000 0.852 182 S HN 0.599 nan 8.310 nan 0.000 0.457 183 Q N 0.985 120.730 119.800 -0.091 0.000 2.046 183 Q HA -0.052 4.289 4.340 0.001 0.000 0.200 183 Q C 2.028 177.979 176.000 -0.083 0.000 0.975 183 Q CA 1.502 57.252 55.803 -0.089 0.000 0.836 183 Q CB -0.791 27.890 28.738 -0.095 0.000 0.896 183 Q HN 0.730 nan 8.270 nan 0.000 0.428 184 N N 0.593 119.247 118.700 -0.077 0.000 2.120 184 N HA -0.133 4.608 4.740 0.001 0.000 0.188 184 N C 1.800 177.278 175.510 -0.053 0.000 1.024 184 N CA 0.783 53.796 53.050 -0.061 0.000 0.852 184 N CB 0.003 38.457 38.487 -0.056 0.000 1.003 184 N HN 0.165 nan 8.380 nan 0.000 0.424 185 K N 0.833 121.196 120.400 -0.062 0.000 2.026 185 K HA -0.055 4.266 4.320 0.001 0.000 0.208 185 K C 2.185 178.780 176.600 -0.008 0.000 1.048 185 K CA 1.210 57.467 56.287 -0.049 0.000 0.929 185 K CB -0.098 32.362 32.500 -0.066 0.000 0.713 185 K HN 0.144 nan 8.250 nan 0.000 0.439 186 A N 1.325 124.163 122.820 0.031 0.000 1.930 186 A HA -0.210 4.110 4.320 0.001 0.000 0.217 186 A C 2.051 179.717 177.584 0.137 0.000 1.175 186 A CA 1.560 53.692 52.037 0.158 0.000 0.627 186 A CB -0.400 18.661 19.000 0.103 0.000 0.815 186 A HN 0.427 nan 8.150 nan 0.000 0.443 187 E N 0.130 120.326 120.200 -0.006 0.000 2.031 187 E HA -0.142 4.209 4.350 0.001 0.000 0.193 187 E C 2.172 178.779 176.600 0.012 0.000 0.994 187 E CA 1.214 57.579 56.400 -0.059 0.000 0.800 187 E CB -0.332 29.296 29.700 -0.120 0.000 0.752 187 E HN 0.479 nan 8.360 nan 0.000 0.447 188 A N 1.509 124.324 122.820 -0.008 0.000 1.873 188 A HA -0.217 4.104 4.320 0.001 0.000 0.218 188 A C 2.508 180.061 177.584 -0.053 0.000 1.193 188 A CA 2.517 54.542 52.037 -0.021 0.000 0.629 188 A CB -1.236 17.741 19.000 -0.038 0.000 0.826 188 A HN 0.481 nan 8.150 nan 0.000 0.447 189 A N -0.917 121.835 122.820 -0.114 0.000 1.892 189 A HA -0.305 4.015 4.320 0.001 0.000 0.218 189 A C 2.251 179.679 177.584 -0.259 0.000 1.188 189 A CA 2.185 54.035 52.037 -0.312 0.000 0.631 189 A CB -0.754 17.862 19.000 -0.639 0.000 0.822 189 A HN 0.717 nan 8.150 nan 0.000 0.447 190 Q N -0.312 119.512 119.800 0.040 0.000 2.096 190 Q HA -0.207 4.133 4.340 0.001 0.000 0.204 190 Q C 1.834 177.906 176.000 0.120 0.000 0.982 190 Q CA 1.960 57.924 55.803 0.268 0.000 0.850 190 Q CB -0.133 28.808 28.738 0.340 0.000 0.901 190 Q HN 0.695 nan 8.270 nan 0.000 0.422 191 K N -0.171 120.278 120.400 0.082 0.000 2.366 191 K HA -0.053 4.268 4.320 0.001 0.000 0.198 191 K C 0.579 177.188 176.600 0.016 0.000 1.044 191 K CA 0.783 57.108 56.287 0.063 0.000 0.973 191 K CB 0.327 32.870 32.500 0.073 0.000 0.767 191 K HN 0.207 nan 8.250 nan 0.000 0.475 192 D N 0.003 120.390 120.400 -0.022 0.000 2.342 192 D HA 0.068 4.708 4.640 0.001 0.000 0.221 192 D C 0.810 177.073 176.300 -0.061 0.000 1.101 192 D CA 0.258 54.231 54.000 -0.046 0.000 0.837 192 D CB 0.730 41.489 40.800 -0.068 0.000 0.938 192 D HN 0.313 nan 8.370 nan 0.000 0.508 193 G N 1.790 110.564 108.800 -0.044 0.000 2.168 193 G HA2 -0.396 3.565 3.960 0.001 0.000 0.257 193 G HA3 -0.396 3.565 3.960 0.001 0.000 0.257 193 G C 1.163 176.009 174.900 -0.090 0.000 0.997 193 G CA 0.077 45.157 45.100 -0.034 0.000 0.708 193 G HN 0.351 nan 8.290 nan 0.000 0.520 194 R N -1.217 119.153 120.500 -0.216 0.000 2.339 194 R HA 0.169 4.510 4.340 0.001 0.000 0.199 194 R C 1.334 177.409 176.300 -0.375 0.000 1.018 194 R CA 0.839 56.749 56.100 -0.317 0.000 1.036 194 R CB -0.158 29.886 30.300 -0.428 0.000 0.899 194 R HN 0.468 nan 8.270 nan 0.000 0.473 195 F N -0.208 119.720 119.950 -0.037 0.000 2.717 195 F HA 0.178 4.705 4.527 0.001 0.000 0.297 195 F C 2.087 177.826 175.800 -0.100 0.000 1.113 195 F CA -0.252 57.712 58.000 -0.060 0.000 1.319 195 F CB -0.049 38.930 39.000 -0.035 0.000 1.097 195 F HN -0.197 nan 8.300 nan 0.000 0.595 196 K N 0.826 121.267 120.400 0.069 0.000 2.044 196 K HA -0.218 4.102 4.320 0.001 0.000 0.210 196 K C 1.546 178.095 176.600 -0.086 0.000 1.049 196 K CA 2.124 58.415 56.287 0.006 0.000 0.927 196 K CB -0.164 32.337 32.500 0.000 0.000 0.713 196 K HN 0.029 nan 8.250 nan 0.000 0.443 197 D N 0.545 120.861 120.400 -0.140 0.000 2.126 197 D HA -0.223 4.418 4.640 0.001 0.000 0.190 197 D C 1.858 177.756 176.300 -0.670 0.000 1.001 197 D CA 1.960 55.783 54.000 -0.296 0.000 0.841 197 D CB -0.144 40.525 40.800 -0.217 0.000 0.949 197 D HN 0.622 nan 8.370 nan 0.000 0.446 198 E N 0.088 119.839 120.200 -0.748 0.000 2.230 198 E HA -0.030 4.320 4.350 0.001 0.000 0.192 198 E C 0.877 177.281 176.600 -0.327 0.000 0.987 198 E CA 0.062 55.920 56.400 -0.904 0.000 0.841 198 E CB 0.011 29.405 29.700 -0.511 0.000 0.783 198 E HN 0.218 nan 8.360 nan 0.000 0.481 199 I N 2.642 123.111 120.570 -0.167 0.000 2.471 199 I HA 0.027 4.197 4.170 0.001 0.000 0.286 199 I C -0.360 175.730 176.117 -0.046 0.000 1.079 199 I CA -0.374 60.889 61.300 -0.062 0.000 1.398 199 I CB 1.529 39.525 38.000 -0.007 0.000 1.403 199 I HN -0.004 nan 8.210 nan 0.000 0.530 200 V N 9.686 129.596 119.914 -0.007 0.000 2.370 200 V HA 0.449 4.570 4.120 0.001 0.000 0.283 200 V C -2.162 173.968 176.094 0.060 0.000 1.023 200 V CA -2.128 60.182 62.300 0.016 0.000 0.857 200 V CB 1.700 33.535 31.823 0.021 0.000 0.985 200 V HN 0.521 nan 8.190 nan 0.000 0.443 201 P HA 0.119 nan 4.420 nan 0.000 0.266 201 P C -1.261 176.120 177.300 0.135 0.000 1.193 201 P CA 0.330 63.488 63.100 0.096 0.000 0.770 201 P CB 0.177 31.908 31.700 0.051 0.000 0.836 202 F N 3.302 123.272 119.950 0.034 0.000 2.495 202 F HA 0.453 4.981 4.527 0.001 0.000 0.327 202 F C -0.597 175.220 175.800 0.028 0.000 1.103 202 F CA -1.076 56.917 58.000 -0.011 0.000 0.949 202 F CB 0.937 39.873 39.000 -0.107 0.000 1.142 202 F HN 0.054 nan 8.300 nan 0.000 0.457 203 I N 7.483 127.630 120.570 -0.705 0.000 2.291 203 I HA 0.176 4.347 4.170 0.001 0.000 0.290 203 I C -0.324 175.521 176.117 -0.454 0.000 1.050 203 I CA -0.754 60.302 61.300 -0.406 0.000 1.245 203 I CB 0.585 38.399 38.000 -0.310 0.000 1.405 203 I HN 0.249 nan 8.210 nan 0.000 0.478 204 V N 7.327 127.264 119.914 0.038 0.000 2.364 204 V HA 0.068 4.188 4.120 0.001 0.000 0.252 204 V C 0.986 177.120 176.094 0.066 0.000 1.075 204 V CA -0.597 61.834 62.300 0.218 0.000 1.033 204 V CB -0.419 31.606 31.823 0.337 0.000 1.116 204 V HN 0.532 nan 8.190 nan 0.000 0.488 205 K N 3.578 123.984 120.400 0.010 0.000 2.485 205 K HA 0.394 4.714 4.320 0.001 0.000 0.277 205 K C 0.475 177.090 176.600 0.025 0.000 0.990 205 K CA 0.361 56.644 56.287 -0.006 0.000 0.994 205 K CB 1.116 33.603 32.500 -0.022 0.000 0.906 205 K HN 0.888 nan 8.250 nan 0.000 0.488 206 G N 2.126 110.934 108.800 0.013 0.000 2.760 206 G HA2 0.183 4.144 3.960 0.001 0.000 0.296 206 G HA3 0.183 4.144 3.960 0.001 0.000 0.296 206 G C 0.722 175.628 174.900 0.009 0.000 1.427 206 G CA -0.748 44.363 45.100 0.018 0.000 1.109 206 G HN 0.431 nan 8.290 nan 0.000 0.553 207 R N 1.883 122.389 120.500 0.009 0.000 2.083 207 R HA -0.093 4.248 4.340 0.001 0.000 0.237 207 R C 0.647 176.949 176.300 0.004 0.000 1.137 207 R CA 0.987 57.091 56.100 0.006 0.000 0.951 207 R CB -0.435 29.868 30.300 0.006 0.000 0.851 207 R HN 0.451 nan 8.270 nan 0.000 0.434 208 K N 1.597 122.001 120.400 0.006 0.000 3.100 208 K HA 0.257 4.577 4.320 0.001 0.000 0.256 208 K C -0.134 176.469 176.600 0.006 0.000 1.146 208 K CA 0.427 56.717 56.287 0.005 0.000 1.233 208 K CB 0.181 32.684 32.500 0.005 0.000 1.226 208 K HN 0.557 nan 8.250 nan 0.000 0.442 209 G N 1.471 110.273 108.800 0.005 0.000 2.697 209 G HA2 -0.142 3.818 3.960 0.001 0.000 0.686 209 G HA3 -0.142 3.818 3.960 0.001 0.000 0.686 209 G C -1.466 173.438 174.900 0.007 0.000 1.179 209 G CA -1.093 44.010 45.100 0.004 0.000 0.765 209 G HN 0.211 nan 8.290 nan 0.000 0.649 210 D N -0.162 120.240 120.400 0.003 0.000 2.229 210 D HA 0.751 5.392 4.640 0.001 0.000 0.249 210 D C 0.556 176.864 176.300 0.013 0.000 1.027 210 D CA -0.008 53.994 54.000 0.003 0.000 0.923 210 D CB 1.545 42.335 40.800 -0.016 0.000 1.174 210 D HN 0.512 nan 8.370 nan 0.000 0.443 211 I N 0.799 121.387 120.570 0.030 0.000 2.499 211 I HA 0.166 4.337 4.170 0.001 0.000 0.288 211 I C -0.331 175.827 176.117 0.068 0.000 1.048 211 I CA -0.574 60.754 61.300 0.047 0.000 1.062 211 I CB 2.185 40.222 38.000 0.062 0.000 1.238 211 I HN 0.030 nan 8.210 nan 0.000 0.426 212 T N 5.656 120.243 114.554 0.055 0.000 2.743 212 T HA 0.377 4.727 4.350 0.001 0.000 0.293 212 T C -0.107 174.660 174.700 0.112 0.000 0.945 212 T CA -0.379 61.763 62.100 0.070 0.000 1.030 212 T CB 1.090 69.978 68.868 0.033 0.000 0.912 212 T HN 0.209 nan 8.240 nan 0.000 0.483 213 V N 4.344 124.377 119.914 0.198 0.000 2.328 213 V HA 0.379 4.500 4.120 0.001 0.000 0.278 213 V C 0.102 176.311 176.094 0.192 0.000 1.021 213 V CA -0.841 61.582 62.300 0.206 0.000 0.838 213 V CB 1.090 33.111 31.823 0.331 0.000 0.999 213 V HN 1.002 nan 8.190 nan 0.000 0.447 214 D N 2.369 122.837 120.400 0.113 0.000 2.620 214 D HA 0.547 5.188 4.640 0.001 0.000 0.260 214 D C -0.068 176.271 176.300 0.064 0.000 1.367 214 D CA 0.116 54.171 54.000 0.090 0.000 0.805 214 D CB 1.008 41.847 40.800 0.065 0.000 1.096 214 D HN 0.660 nan 8.370 nan 0.000 0.488 215 A N -0.035 122.817 122.820 0.053 0.000 2.572 215 A HA 0.498 4.819 4.320 0.001 0.000 0.295 215 A C -1.417 176.162 177.584 -0.008 0.000 1.072 215 A CA -0.908 51.147 52.037 0.030 0.000 0.691 215 A CB 1.304 20.334 19.000 0.049 0.000 1.291 215 A HN 0.030 nan 8.150 nan 0.000 0.404 216 D N 2.101 122.472 120.400 -0.050 0.000 2.342 216 D HA 0.131 4.771 4.640 0.001 0.000 0.260 216 D C 0.846 177.129 176.300 -0.029 0.000 1.278 216 D CA 0.333 54.286 54.000 -0.078 0.000 0.910 216 D CB 1.017 41.708 40.800 -0.181 0.000 1.079 216 D HN 0.756 nan 8.370 nan 0.000 0.496 217 E N 1.420 121.605 120.200 -0.025 0.000 2.489 217 E HA -0.152 4.199 4.350 0.001 0.000 0.193 217 E C 0.914 177.551 176.600 0.062 0.000 1.057 217 E CA 0.175 56.577 56.400 0.004 0.000 0.866 217 E CB -0.002 29.671 29.700 -0.045 0.000 0.916 217 E HN 0.466 nan 8.360 nan 0.000 0.500 218 Y N 1.244 121.496 120.300 -0.079 0.000 2.478 218 Y HA 0.317 4.868 4.550 0.001 0.000 0.261 218 Y C 0.401 176.260 175.900 -0.068 0.000 1.127 218 Y CA -0.744 57.319 58.100 -0.063 0.000 1.288 218 Y CB 0.524 38.947 38.460 -0.063 0.000 1.084 218 Y HN -0.083 nan 8.280 nan 0.000 0.530 219 I N 4.554 125.044 120.570 -0.135 0.000 2.517 219 I HA 0.044 4.215 4.170 0.001 0.000 0.285 219 I C 0.123 176.067 176.117 -0.288 0.000 1.106 219 I CA 0.132 61.290 61.300 -0.236 0.000 1.402 219 I CB 0.385 38.259 38.000 -0.210 0.000 1.399 219 I HN 0.129 nan 8.210 nan 0.000 0.535 220 R N 5.077 125.403 120.500 -0.289 0.000 2.221 220 R HA 0.393 4.733 4.340 0.001 0.000 0.327 220 R C -0.880 175.314 176.300 -0.178 0.000 1.033 220 R CA -0.783 55.203 56.100 -0.190 0.000 0.887 220 R CB 0.439 30.637 30.300 -0.171 0.000 1.057 220 R HN 0.497 nan 8.270 nan 0.000 0.455 221 H N 1.681 120.718 119.070 -0.055 0.000 2.803 221 H HA 0.233 4.790 4.556 0.001 0.000 0.330 221 H C 1.109 176.416 175.328 -0.034 0.000 1.057 221 H CA 1.317 57.344 56.048 -0.035 0.000 1.458 221 H CB 1.267 31.014 29.762 -0.025 0.000 1.470 221 H HN 1.029 nan 8.280 nan 0.000 0.560 222 G N 1.868 110.706 108.800 0.063 0.000 2.225 222 G HA2 -0.178 3.783 3.960 0.001 0.000 0.264 222 G HA3 -0.178 3.783 3.960 0.001 0.000 0.264 222 G C 0.338 175.238 174.900 0.000 0.000 1.060 222 G CA -0.115 45.003 45.100 0.030 0.000 0.833 222 G HN 0.912 nan 8.290 nan 0.000 0.498 223 A N 0.174 122.980 122.820 -0.023 0.000 2.511 223 A HA 0.701 5.022 4.320 0.001 0.000 0.242 223 A C 0.952 178.524 177.584 -0.020 0.000 1.069 223 A CA 1.327 53.345 52.037 -0.032 0.000 0.763 223 A CB 0.364 19.332 19.000 -0.053 0.000 1.001 223 A HN 2.085 nan 8.150 nan 0.000 0.498 224 T N 0.604 115.150 114.554 -0.014 0.000 2.893 224 T HA 0.442 4.793 4.350 0.001 0.000 0.293 224 T C 0.645 175.343 174.700 -0.003 0.000 1.027 224 T CA -0.640 61.456 62.100 -0.007 0.000 0.988 224 T CB 1.023 69.888 68.868 -0.004 0.000 1.043 224 T HN 0.462 nan 8.240 nan 0.000 0.461 225 L N 1.734 122.957 121.223 0.001 0.000 2.079 225 L HA -0.016 4.324 4.340 0.001 0.000 0.210 225 L C 2.060 178.935 176.870 0.009 0.000 1.081 225 L CA 2.025 56.870 54.840 0.008 0.000 0.752 225 L CB -0.736 41.329 42.059 0.010 0.000 0.896 225 L HN 0.797 nan 8.230 nan 0.000 0.433 226 D N -1.141 119.263 120.400 0.006 0.000 2.097 226 D HA -0.170 4.470 4.640 0.001 0.000 0.195 226 D C 2.246 178.549 176.300 0.005 0.000 0.989 226 D CA 1.794 55.797 54.000 0.006 0.000 0.827 226 D CB -0.203 40.600 40.800 0.004 0.000 0.966 226 D HN 0.529 nan 8.370 nan 0.000 0.456 227 S N 0.350 116.052 115.700 0.003 0.000 2.423 227 S HA -0.142 4.328 4.470 0.001 0.000 0.231 227 S C 1.957 176.560 174.600 0.004 0.000 1.014 227 S CA 0.649 58.850 58.200 0.001 0.000 0.965 227 S CB -0.155 63.044 63.200 -0.002 0.000 0.785 227 S HN 0.036 nan 8.310 nan 0.000 0.495 228 M N 2.843 122.447 119.600 0.006 0.000 2.117 228 M HA 0.239 4.719 4.480 0.001 0.000 0.262 228 M C 2.011 178.321 176.300 0.018 0.000 1.065 228 M CA 1.501 56.808 55.300 0.013 0.000 1.114 228 M CB -1.029 31.582 32.600 0.017 0.000 1.361 228 M HN 0.406 nan 8.290 nan 0.000 0.408 229 A N -0.996 121.834 122.820 0.017 0.000 2.238 229 A HA -0.012 4.308 4.320 0.001 0.000 0.208 229 A C 1.952 179.544 177.584 0.013 0.000 1.177 229 A CA 0.732 52.780 52.037 0.018 0.000 0.804 229 A CB -0.655 18.356 19.000 0.018 0.000 0.823 229 A HN 0.590 nan 8.150 nan 0.000 0.482 230 K N -0.233 120.173 120.400 0.010 0.000 2.228 230 K HA 0.127 4.447 4.320 0.001 0.000 0.202 230 K C 0.151 176.754 176.600 0.005 0.000 1.051 230 K CA 0.134 56.424 56.287 0.006 0.000 0.960 230 K CB -0.250 32.252 32.500 0.004 0.000 0.743 230 K HN 0.470 nan 8.250 nan 0.000 0.458 231 L N 1.628 122.855 121.223 0.007 0.000 2.482 231 L HA 0.054 4.395 4.340 0.001 0.000 0.273 231 L C 0.659 177.531 176.870 0.003 0.000 1.228 231 L CA -0.001 54.841 54.840 0.004 0.000 0.827 231 L CB 0.067 42.131 42.059 0.009 0.000 1.099 231 L HN 0.074 nan 8.230 nan 0.000 0.494 232 R N 0.988 121.484 120.500 -0.006 0.000 2.720 232 R HA 0.435 4.776 4.340 0.001 0.000 0.272 232 R C -2.309 173.980 176.300 -0.017 0.000 0.991 232 R CA -1.891 54.204 56.100 -0.009 0.000 1.010 232 R CB 1.059 31.350 30.300 -0.015 0.000 1.141 232 R HN 0.348 nan 8.270 nan 0.000 0.494 233 P HA -0.061 nan 4.420 nan 0.000 0.264 233 P C -0.484 176.773 177.300 -0.072 0.000 1.183 233 P CA 0.436 63.529 63.100 -0.011 0.000 0.763 233 P CB 0.756 32.457 31.700 0.002 0.000 0.807 234 A N 1.718 124.460 122.820 -0.129 0.000 1.973 234 A HA 0.114 4.435 4.320 0.001 0.000 0.210 234 A C 1.124 178.346 177.584 -0.603 0.000 1.200 234 A CA 0.921 52.707 52.037 -0.418 0.000 0.707 234 A CB -0.600 18.027 19.000 -0.622 0.000 0.862 234 A HN 0.491 nan 8.150 nan 0.000 0.461 235 F N -0.640 119.271 119.950 -0.065 0.000 2.532 235 F HA 0.251 4.778 4.527 0.001 0.000 0.276 235 F C 0.480 176.240 175.800 -0.067 0.000 0.911 235 F CA -0.219 57.733 58.000 -0.080 0.000 1.196 235 F CB -0.003 38.924 39.000 -0.121 0.000 1.087 235 F HN -0.002 nan 8.300 nan 0.000 0.775 236 D N 1.048 121.529 120.400 0.134 0.000 2.316 236 D HA 0.131 4.772 4.640 0.001 0.000 0.245 236 D C 0.864 177.176 176.300 0.020 0.000 1.171 236 D CA 0.064 54.088 54.000 0.040 0.000 0.856 236 D CB 1.492 42.294 40.800 0.003 0.000 1.090 236 D HN -0.190 nan 8.370 nan 0.000 0.476 237 K N 2.179 122.583 120.400 0.008 0.000 2.160 237 K HA -0.168 4.153 4.320 0.001 0.000 0.206 237 K C 0.606 177.206 176.600 0.000 0.000 1.047 237 K CA 1.178 57.465 56.287 0.000 0.000 0.930 237 K CB -0.007 32.494 32.500 0.001 0.000 0.720 237 K HN 0.668 nan 8.250 nan 0.000 0.450 238 E N -1.158 119.043 120.200 0.001 0.000 3.388 238 E HA 0.347 4.697 4.350 0.001 0.000 0.214 238 E C 0.377 176.977 176.600 0.001 0.000 1.040 238 E CA -0.489 55.911 56.400 0.001 0.000 1.327 238 E CB 0.574 30.273 29.700 -0.001 0.000 1.243 238 E HN 0.086 nan 8.360 nan 0.000 0.444 239 G N -0.068 108.737 108.800 0.007 0.000 2.671 239 G HA2 0.243 4.203 3.960 0.001 0.000 0.275 239 G HA3 0.243 4.203 3.960 0.001 0.000 0.275 239 G C 0.258 175.170 174.900 0.019 0.000 1.368 239 G CA -0.009 45.096 45.100 0.008 0.000 1.044 239 G HN 0.101 nan 8.290 nan 0.000 0.543 240 T N -1.618 112.951 114.554 0.024 0.000 2.969 240 T HA 0.198 4.549 4.350 0.001 0.000 0.250 240 T C 0.545 175.282 174.700 0.062 0.000 1.021 240 T CA 0.055 62.176 62.100 0.035 0.000 1.003 240 T CB -0.007 68.876 68.868 0.026 0.000 1.040 240 T HN 0.184 nan 8.240 nan 0.000 0.492 241 V N 3.635 123.601 119.914 0.086 0.000 2.583 241 V HA 0.557 4.677 4.120 0.001 0.000 0.287 241 V C 0.678 176.886 176.094 0.190 0.000 1.051 241 V CA -0.131 62.264 62.300 0.159 0.000 1.010 241 V CB 0.911 32.841 31.823 0.177 0.000 0.988 241 V HN 0.665 nan 8.190 nan 0.000 0.478 242 T N 1.212 115.874 114.554 0.180 0.000 2.865 242 T HA 0.644 4.995 4.350 0.001 0.000 0.294 242 T C 0.653 175.427 174.700 0.123 0.000 1.119 242 T CA -0.108 62.055 62.100 0.105 0.000 1.007 242 T CB 1.957 70.862 68.868 0.062 0.000 1.225 242 T HN 0.747 nan 8.240 nan 0.000 0.515 243 A N -0.236 122.613 122.820 0.049 0.000 2.264 243 A HA 0.380 4.701 4.320 0.001 0.000 0.207 243 A C 1.854 179.481 177.584 0.071 0.000 1.196 243 A CA 1.167 53.240 52.037 0.059 0.000 0.778 243 A CB -1.274 17.734 19.000 0.014 0.000 0.779 243 A HN 1.126 nan 8.150 nan 0.000 0.483 244 G N 0.489 109.332 108.800 0.072 0.000 2.651 244 G HA2 -0.003 3.957 3.960 0.001 0.000 0.207 244 G HA3 -0.003 3.957 3.960 0.001 0.000 0.207 244 G C 0.865 175.818 174.900 0.088 0.000 1.131 244 G CA 0.603 45.738 45.100 0.059 0.000 0.816 244 G HN 0.701 nan 8.290 nan 0.000 0.534 245 N N 0.219 118.993 118.700 0.124 0.000 2.234 245 N HA 0.508 5.249 4.740 0.001 0.000 0.227 245 N C 0.106 175.734 175.510 0.196 0.000 1.151 245 N CA 0.071 53.215 53.050 0.157 0.000 0.865 245 N CB 0.711 39.289 38.487 0.152 0.000 1.066 245 N HN 0.280 nan 8.380 nan 0.000 0.515 246 A N -0.669 122.267 122.820 0.193 0.000 2.356 246 A HA 0.703 5.023 4.320 0.001 0.000 0.323 246 A C 0.048 177.653 177.584 0.036 0.000 1.119 246 A CA -0.697 51.444 52.037 0.173 0.000 0.790 246 A CB 1.221 20.447 19.000 0.377 0.000 1.273 246 A HN 0.184 nan 8.150 nan 0.000 0.452 247 S N -0.050 115.550 115.700 -0.168 0.000 2.589 247 S HA 0.493 4.964 4.470 0.001 0.000 0.265 247 S C 0.771 175.337 174.600 -0.057 0.000 1.342 247 S CA 0.335 58.470 58.200 -0.109 0.000 1.005 247 S CB 0.395 63.451 63.200 -0.239 0.000 0.909 247 S HN 1.313 nan 8.310 nan 0.000 0.555 248 G N 1.131 109.897 108.800 -0.057 0.000 2.613 248 G HA2 0.593 4.553 3.960 0.001 0.000 0.303 248 G HA3 0.593 4.553 3.960 0.001 0.000 0.303 248 G C -1.168 173.544 174.900 -0.313 0.000 1.312 248 G CA -0.901 44.094 45.100 -0.176 0.000 1.036 248 G HN 0.723 nan 8.290 nan 0.000 0.513 249 L N 0.457 121.445 121.223 -0.392 0.000 2.289 249 L HA 0.500 4.840 4.340 0.001 0.000 0.285 249 L C -0.419 176.263 176.870 -0.314 0.000 1.049 249 L CA -0.638 53.940 54.840 -0.437 0.000 0.804 249 L CB 1.417 42.916 42.059 -0.933 0.000 1.195 249 L HN 0.492 nan 8.230 nan 0.000 0.428 250 N N 0.637 119.234 118.700 -0.173 0.000 2.825 250 N HA 0.479 5.219 4.740 0.001 0.000 0.253 250 N C -1.913 173.600 175.510 0.004 0.000 1.426 250 N CA -0.917 52.071 53.050 -0.103 0.000 0.851 250 N CB 1.728 40.080 38.487 -0.224 0.000 1.470 250 N HN 0.415 nan 8.380 nan 0.000 0.517 251 D N -0.483 119.943 120.400 0.042 0.000 2.342 251 D HA 0.779 5.419 4.640 0.001 0.000 0.243 251 D C -0.052 176.321 176.300 0.122 0.000 1.019 251 D CA -0.308 53.749 54.000 0.095 0.000 0.864 251 D CB 1.937 42.852 40.800 0.192 0.000 1.315 251 D HN 0.654 nan 8.370 nan 0.000 0.468 252 G N -0.830 107.985 108.800 0.026 0.000 2.322 252 G HA2 0.646 4.606 3.960 0.001 0.000 0.295 252 G HA3 0.646 4.606 3.960 0.001 0.000 0.295 252 G C -2.007 172.836 174.900 -0.094 0.000 1.369 252 G CA -0.196 44.892 45.100 -0.019 0.000 0.821 252 G HN 0.653 nan 8.290 nan 0.000 0.536 253 A N -1.406 121.356 122.820 -0.097 0.000 2.594 253 A HA 1.138 5.459 4.320 0.001 0.000 0.295 253 A C -0.385 177.169 177.584 -0.050 0.000 1.071 253 A CA 0.401 52.387 52.037 -0.086 0.000 0.685 253 A CB 1.361 20.288 19.000 -0.122 0.000 1.285 253 A HN 2.645 nan 8.150 nan 0.000 0.405 254 A N -0.317 122.481 122.820 -0.036 0.000 2.612 254 A HA 1.098 5.419 4.320 0.001 0.000 0.293 254 A C -0.507 177.069 177.584 -0.013 0.000 1.075 254 A CA 0.108 52.139 52.037 -0.009 0.000 0.680 254 A CB 0.959 19.962 19.000 0.005 0.000 1.279 254 A HN 2.802 nan 8.150 nan 0.000 0.411 255 A N -0.708 122.116 122.820 0.008 0.000 2.540 255 A HA 1.027 5.347 4.320 0.001 0.000 0.291 255 A C -0.760 176.831 177.584 0.011 0.000 1.083 255 A CA 0.047 52.079 52.037 -0.009 0.000 0.650 255 A CB 0.443 19.428 19.000 -0.025 0.000 1.292 255 A HN 2.694 nan 8.150 nan 0.000 0.435 256 A N -0.188 122.624 122.820 -0.013 0.000 2.486 256 A HA 0.729 5.050 4.320 0.001 0.000 0.300 256 A C -1.230 176.342 177.584 -0.021 0.000 1.048 256 A CA -0.379 51.653 52.037 -0.010 0.000 0.696 256 A CB 1.169 20.156 19.000 -0.022 0.000 1.278 256 A HN 1.632 nan 8.150 nan 0.000 0.405 257 L N 2.271 123.486 121.223 -0.013 0.000 2.326 257 L HA 0.511 4.851 4.340 0.001 0.000 0.278 257 L C -1.170 175.688 176.870 -0.019 0.000 1.092 257 L CA -0.618 54.214 54.840 -0.014 0.000 0.810 257 L CB 0.709 42.766 42.059 -0.003 0.000 1.153 257 L HN 0.546 nan 8.230 nan 0.000 0.439 258 L N 6.811 128.022 121.223 -0.019 0.000 2.349 258 L HA 0.592 4.932 4.340 0.001 0.000 0.278 258 L C -0.199 176.667 176.870 -0.007 0.000 0.996 258 L CA -0.243 54.588 54.840 -0.016 0.000 0.825 258 L CB 1.327 43.372 42.059 -0.023 0.000 1.243 258 L HN 0.771 nan 8.230 nan 0.000 0.412 259 M N 1.042 120.640 119.600 -0.003 0.000 2.644 259 M HA 0.598 5.079 4.480 0.001 0.000 0.273 259 M C -0.066 176.237 176.300 0.005 0.000 1.253 259 M CA -0.697 54.605 55.300 0.003 0.000 0.852 259 M CB 2.239 34.841 32.600 0.003 0.000 1.708 259 M HN 0.408 nan 8.290 nan 0.000 0.471 260 S N -0.319 115.386 115.700 0.009 0.000 2.580 260 S HA 0.068 4.538 4.470 0.001 0.000 0.266 260 S C 0.605 175.211 174.600 0.009 0.000 1.354 260 S CA 0.502 58.709 58.200 0.011 0.000 1.008 260 S CB 0.892 64.099 63.200 0.012 0.000 0.898 260 S HN 0.981 nan 8.310 nan 0.000 0.555 261 E N 0.894 121.101 120.200 0.011 0.000 2.216 261 E HA -0.008 4.343 4.350 0.001 0.000 0.192 261 E C 1.948 178.554 176.600 0.010 0.000 0.988 261 E CA 0.766 57.173 56.400 0.011 0.000 0.834 261 E CB -0.457 29.251 29.700 0.014 0.000 0.772 261 E HN 0.841 nan 8.360 nan 0.000 0.479 262 A N 0.660 123.487 122.820 0.010 0.000 2.067 262 A HA -0.112 4.209 4.320 0.001 0.000 0.217 262 A C 1.919 179.508 177.584 0.008 0.000 1.156 262 A CA 1.241 53.284 52.037 0.010 0.000 0.683 262 A CB -0.211 18.795 19.000 0.010 0.000 0.808 262 A HN 0.241 nan 8.150 nan 0.000 0.455 263 E N 0.493 120.698 120.200 0.008 0.000 2.051 263 E HA 0.041 4.391 4.350 0.001 0.000 0.189 263 E C 1.991 178.595 176.600 0.006 0.000 0.979 263 E CA 1.428 57.832 56.400 0.008 0.000 0.803 263 E CB -0.461 29.243 29.700 0.008 0.000 0.761 263 E HN 0.387 nan 8.360 nan 0.000 0.451 264 A N 0.228 123.052 122.820 0.005 0.000 1.940 264 A HA -0.200 4.121 4.320 0.001 0.000 0.219 264 A C 2.419 180.006 177.584 0.005 0.000 1.176 264 A CA 2.013 54.052 52.037 0.004 0.000 0.631 264 A CB -1.110 17.891 19.000 0.001 0.000 0.814 264 A HN 0.351 nan 8.150 nan 0.000 0.446 265 S N -0.162 115.542 115.700 0.006 0.000 2.359 265 S HA -0.239 4.231 4.470 0.001 0.000 0.224 265 S C 2.183 176.786 174.600 0.006 0.000 1.035 265 S CA 1.621 59.824 58.200 0.006 0.000 1.018 265 S CB -0.359 62.846 63.200 0.007 0.000 0.876 265 S HN 0.674 nan 8.310 nan 0.000 0.448 266 R N 0.633 121.137 120.500 0.006 0.000 2.083 266 R HA -0.000 4.340 4.340 0.001 0.000 0.237 266 R C 2.505 178.809 176.300 0.006 0.000 1.137 266 R CA 1.659 57.763 56.100 0.006 0.000 0.951 266 R CB -0.421 29.883 30.300 0.006 0.000 0.851 266 R HN 0.392 nan 8.270 nan 0.000 0.434 267 R N 0.251 120.755 120.500 0.006 0.000 2.357 267 R HA 0.021 4.361 4.340 0.001 0.000 0.202 267 R C 0.958 177.261 176.300 0.006 0.000 1.047 267 R CA 0.598 56.702 56.100 0.006 0.000 1.034 267 R CB -0.029 30.275 30.300 0.006 0.000 0.875 267 R HN 0.514 nan 8.270 nan 0.000 0.473 268 G N 1.502 110.306 108.800 0.006 0.000 2.198 268 G HA2 -0.286 3.675 3.960 0.001 0.000 0.260 268 G HA3 -0.286 3.675 3.960 0.001 0.000 0.260 268 G C 0.136 175.039 174.900 0.006 0.000 1.025 268 G CA -0.011 45.093 45.100 0.006 0.000 0.769 268 G HN 0.275 nan 8.290 nan 0.000 0.507 269 I N 0.455 121.028 120.570 0.005 0.000 2.428 269 I HA 0.261 4.431 4.170 0.001 0.000 0.289 269 I C 0.097 176.214 176.117 0.001 0.000 1.019 269 I CA -0.583 60.720 61.300 0.004 0.000 1.351 269 I CB 1.262 39.264 38.000 0.003 0.000 1.412 269 I HN -0.012 nan 8.210 nan 0.000 0.513 270 Q N 6.822 126.622 119.800 -0.001 0.000 2.466 270 Q HA 0.393 4.733 4.340 0.001 0.000 0.242 270 Q C -2.333 173.657 176.000 -0.018 0.000 1.046 270 Q CA -2.010 53.790 55.803 -0.006 0.000 0.841 270 Q CB 0.627 29.363 28.738 -0.003 0.000 1.193 270 Q HN 0.308 nan 8.270 nan 0.000 0.508 271 P HA 0.013 nan 4.420 nan 0.000 0.267 271 P C 0.356 177.621 177.300 -0.057 0.000 1.200 271 P CA -0.308 62.771 63.100 -0.035 0.000 0.772 271 P CB 0.736 32.424 31.700 -0.021 0.000 0.855 272 L N 0.866 122.030 121.223 -0.097 0.000 2.591 272 L HA 0.362 4.702 4.340 0.001 0.000 0.228 272 L C 1.194 178.007 176.870 -0.095 0.000 1.133 272 L CA 0.920 55.675 54.840 -0.142 0.000 0.880 272 L CB -0.939 40.945 42.059 -0.291 0.000 1.033 272 L HN 0.650 nan 8.230 nan 0.000 0.450 273 G N -0.401 108.367 108.800 -0.053 0.000 2.338 273 G HA2 0.444 4.405 3.960 0.001 0.000 0.295 273 G HA3 0.444 4.405 3.960 0.001 0.000 0.295 273 G C -1.521 173.383 174.900 0.006 0.000 1.461 273 G CA -0.997 44.096 45.100 -0.013 0.000 0.817 273 G HN 0.092 nan 8.290 nan 0.000 0.556 274 R N -0.043 120.479 120.500 0.037 0.000 2.561 274 R HA 0.696 5.036 4.340 0.001 0.000 0.297 274 R C -0.782 175.548 176.300 0.050 0.000 0.969 274 R CA -0.989 55.133 56.100 0.038 0.000 0.879 274 R CB 1.654 31.979 30.300 0.042 0.000 1.178 274 R HN 0.395 nan 8.270 nan 0.000 0.445 275 I N 4.690 125.281 120.570 0.036 0.000 2.505 275 I HA -0.026 4.144 4.170 0.001 0.000 0.287 275 I C 1.485 177.611 176.117 0.015 0.000 1.104 275 I CA -0.343 60.980 61.300 0.038 0.000 1.387 275 I CB 1.519 39.547 38.000 0.047 0.000 1.404 275 I HN 0.690 nan 8.210 nan 0.000 0.528 276 V N 2.695 122.582 119.914 -0.045 0.000 3.650 276 V HA 0.273 4.393 4.120 0.001 0.000 0.271 276 V C 0.552 176.547 176.094 -0.165 0.000 1.281 276 V CA 0.774 62.993 62.300 -0.136 0.000 1.120 276 V CB -0.520 31.131 31.823 -0.285 0.000 0.856 276 V HN 0.873 nan 8.190 nan 0.000 0.443 277 S N -1.137 114.515 115.700 -0.080 0.000 2.707 277 S HA 0.483 4.953 4.470 0.001 0.000 0.268 277 S C -1.605 173.074 174.600 0.132 0.000 1.004 277 S CA -0.334 57.840 58.200 -0.043 0.000 0.902 277 S CB 0.441 63.522 63.200 -0.198 0.000 1.157 277 S HN 1.684 nan 8.310 nan 0.000 0.468 278 W N 0.316 121.580 121.300 -0.059 0.000 2.989 278 W HA 0.811 5.472 4.660 0.001 0.000 0.344 278 W C -1.783 174.729 176.519 -0.010 0.000 1.233 278 W CA -0.733 56.598 57.345 -0.023 0.000 1.187 278 W CB 0.811 30.266 29.460 -0.008 0.000 1.443 278 W HN 1.737 nan 8.180 nan 0.000 0.573 279 A N 1.106 124.011 122.820 0.141 0.000 2.594 279 A HA 0.638 4.959 4.320 0.001 0.000 0.296 279 A C -1.676 176.023 177.584 0.193 0.000 1.061 279 A CA -0.349 51.591 52.037 -0.162 0.000 0.689 279 A CB 1.629 20.544 19.000 -0.143 0.000 1.280 279 A HN 0.788 nan 8.150 nan 0.000 0.406 280 T N 0.836 115.460 114.554 0.117 0.000 2.879 280 T HA 0.661 5.011 4.350 0.001 0.000 0.290 280 T C -1.308 173.450 174.700 0.096 0.000 0.993 280 T CA -0.252 61.976 62.100 0.212 0.000 0.975 280 T CB 0.830 69.920 68.868 0.371 0.000 0.981 280 T HN 1.216 nan 8.240 nan 0.000 0.439 281 V N 2.882 122.849 119.914 0.089 0.000 3.078 281 V HA 0.891 5.011 4.120 0.001 0.000 0.311 281 V C 0.575 176.707 176.094 0.064 0.000 1.138 281 V CA -0.970 61.363 62.300 0.056 0.000 1.007 281 V CB 2.352 34.198 31.823 0.038 0.000 1.045 281 V HN 1.040 nan 8.190 nan 0.000 0.432 282 G N 0.605 109.434 108.800 0.049 0.000 2.416 282 G HA2 0.764 4.725 3.960 0.001 0.000 0.329 282 G HA3 0.764 4.725 3.960 0.001 0.000 0.329 282 G C -0.782 174.142 174.900 0.041 0.000 1.173 282 G CA -0.346 44.784 45.100 0.050 0.000 0.929 282 G HN 1.161 nan 8.290 nan 0.000 0.475 283 V N -1.188 118.755 119.914 0.048 0.000 3.156 283 V HA 0.645 4.766 4.120 0.001 0.000 0.310 283 V C -0.644 175.476 176.094 0.042 0.000 1.234 283 V CA -1.305 61.020 62.300 0.043 0.000 1.065 283 V CB 1.808 33.664 31.823 0.055 0.000 1.088 283 V HN 0.543 nan 8.190 nan 0.000 0.451 284 D N 1.403 121.826 120.400 0.038 0.000 2.417 284 D HA 0.280 4.921 4.640 0.001 0.000 0.250 284 D C -1.741 174.603 176.300 0.073 0.000 1.166 284 D CA -1.371 52.655 54.000 0.042 0.000 0.881 284 D CB 1.896 42.714 40.800 0.029 0.000 1.164 284 D HN 0.379 nan 8.370 nan 0.000 0.467 285 P HA -0.132 nan 4.420 nan 0.000 0.218 285 P C 1.010 178.392 177.300 0.136 0.000 1.148 285 P CA 1.289 64.506 63.100 0.194 0.000 0.822 285 P CB 0.250 32.171 31.700 0.368 0.000 0.784 286 K N -0.439 119.983 120.400 0.036 0.000 2.211 286 K HA -0.060 4.260 4.320 0.001 0.000 0.204 286 K C 1.010 177.595 176.600 -0.024 0.000 1.047 286 K CA 1.550 57.776 56.287 -0.102 0.000 0.935 286 K CB -0.328 32.028 32.500 -0.241 0.000 0.728 286 K HN 0.194 nan 8.250 nan 0.000 0.452 287 V N -1.260 118.661 119.914 0.011 0.000 2.771 287 V HA 0.122 4.243 4.120 0.001 0.000 0.355 287 V C 0.986 177.112 176.094 0.053 0.000 1.289 287 V CA -0.548 61.766 62.300 0.022 0.000 1.231 287 V CB 0.037 31.878 31.823 0.031 0.000 1.396 287 V HN 0.109 nan 8.190 nan 0.000 0.628 288 M N 0.733 120.372 119.600 0.063 0.000 2.195 288 M HA 0.120 4.600 4.480 0.001 0.000 0.260 288 M C 1.827 178.175 176.300 0.081 0.000 1.066 288 M CA 2.603 57.953 55.300 0.083 0.000 1.089 288 M CB -1.533 31.128 32.600 0.102 0.000 1.377 288 M HN 0.323 nan 8.290 nan 0.000 0.411 289 G N -0.083 108.759 108.800 0.069 0.000 2.537 289 G HA2 -0.164 3.796 3.960 0.001 0.000 0.220 289 G HA3 -0.164 3.796 3.960 0.001 0.000 0.220 289 G C 1.471 176.401 174.900 0.050 0.000 1.111 289 G CA 1.316 46.458 45.100 0.071 0.000 0.748 289 G HN 0.736 nan 8.290 nan 0.000 0.564 290 T N -2.706 111.890 114.554 0.069 0.000 3.065 290 T HA 0.230 4.580 4.350 0.001 0.000 0.252 290 T C 2.363 177.105 174.700 0.070 0.000 1.099 290 T CA 0.922 63.069 62.100 0.077 0.000 1.063 290 T CB 0.265 69.224 68.868 0.150 0.000 0.948 290 T HN 0.152 nan 8.240 nan 0.000 0.506 291 G N 2.936 111.781 108.800 0.074 0.000 2.503 291 G HA2 -0.160 3.800 3.960 0.001 0.000 0.221 291 G HA3 -0.160 3.800 3.960 0.001 0.000 0.221 291 G C -0.614 174.333 174.900 0.077 0.000 1.131 291 G CA 0.710 45.855 45.100 0.075 0.000 0.756 291 G HN 0.464 nan 8.290 nan 0.000 0.572 292 P HA -0.002 nan 4.420 nan 0.000 0.225 292 P C 1.767 179.118 177.300 0.084 0.000 1.148 292 P CA 0.490 63.653 63.100 0.104 0.000 0.779 292 P CB 0.003 31.778 31.700 0.126 0.000 0.780 293 I N 0.095 120.690 120.570 0.041 0.000 2.110 293 I HA -0.151 4.019 4.170 0.001 0.000 0.236 293 I C -0.513 175.620 176.117 0.027 0.000 1.068 293 I CA 1.824 63.126 61.300 0.004 0.000 1.333 293 I CB -2.027 35.978 38.000 0.009 0.000 1.054 293 I HN -0.002 nan 8.210 nan 0.000 0.402 294 P HA -0.129 nan 4.420 nan 0.000 0.217 294 P C 1.428 178.754 177.300 0.043 0.000 1.150 294 P CA 1.674 64.795 63.100 0.034 0.000 0.832 294 P CB -0.047 31.674 31.700 0.034 0.000 0.787 295 A N -0.312 122.548 122.820 0.066 0.000 1.851 295 A HA -0.198 4.122 4.320 0.001 0.000 0.216 295 A C 2.370 180.013 177.584 0.098 0.000 1.195 295 A CA 2.482 54.571 52.037 0.086 0.000 0.622 295 A CB -1.583 17.485 19.000 0.115 0.000 0.831 295 A HN 0.148 nan 8.150 nan 0.000 0.444 296 S N -0.685 115.093 115.700 0.130 0.000 2.428 296 S HA -0.065 4.405 4.470 0.001 0.000 0.230 296 S C 1.914 176.595 174.600 0.135 0.000 1.014 296 S CA 0.974 59.281 58.200 0.179 0.000 0.957 296 S CB -0.236 63.145 63.200 0.303 0.000 0.784 296 S HN 0.544 nan 8.310 nan 0.000 0.499 297 R N 0.745 121.293 120.500 0.080 0.000 2.236 297 R HA 0.140 4.480 4.340 0.001 0.000 0.208 297 R C 2.090 178.409 176.300 0.031 0.000 1.036 297 R CA 0.498 56.630 56.100 0.054 0.000 1.001 297 R CB 0.020 30.335 30.300 0.025 0.000 0.896 297 R HN 0.089 nan 8.270 nan 0.000 0.464 298 K N 0.822 121.232 120.400 0.017 0.000 2.168 298 K HA 0.120 4.440 4.320 0.001 0.000 0.201 298 K C 1.876 178.448 176.600 -0.046 0.000 1.049 298 K CA 0.999 57.270 56.287 -0.027 0.000 0.974 298 K CB -0.011 32.457 32.500 -0.053 0.000 0.792 298 K HN 0.051 nan 8.250 nan 0.000 0.463 299 A N 1.895 124.704 122.820 -0.017 0.000 1.903 299 A HA -0.185 4.136 4.320 0.001 0.000 0.219 299 A C 2.336 179.894 177.584 -0.043 0.000 1.191 299 A CA 1.675 53.694 52.037 -0.029 0.000 0.638 299 A CB -0.794 18.238 19.000 0.054 0.000 0.823 299 A HN 0.299 nan 8.150 nan 0.000 0.451 300 L N -1.165 120.083 121.223 0.042 0.000 2.083 300 L HA -0.186 4.155 4.340 0.001 0.000 0.209 300 L C 2.644 179.525 176.870 0.020 0.000 1.083 300 L CA 1.784 56.677 54.840 0.087 0.000 0.752 300 L CB -0.444 41.717 42.059 0.170 0.000 0.899 300 L HN 0.608 nan 8.230 nan 0.000 0.433 301 E N 0.168 120.365 120.200 -0.005 0.000 2.152 301 E HA -0.187 4.164 4.350 0.001 0.000 0.192 301 E C 2.346 178.904 176.600 -0.071 0.000 0.983 301 E CA 0.716 57.102 56.400 -0.023 0.000 0.818 301 E CB 0.201 29.887 29.700 -0.023 0.000 0.758 301 E HN 0.353 nan 8.360 nan 0.000 0.467 302 R N -0.088 120.343 120.500 -0.115 0.000 2.057 302 R HA -0.005 4.336 4.340 0.001 0.000 0.229 302 R C 2.365 178.543 176.300 -0.203 0.000 1.136 302 R CA 1.175 57.181 56.100 -0.156 0.000 0.952 302 R CB -0.272 29.911 30.300 -0.195 0.000 0.848 302 R HN 0.124 nan 8.270 nan 0.000 0.430 303 A N -0.009 122.622 122.820 -0.314 0.000 2.121 303 A HA 0.037 4.358 4.320 0.001 0.000 0.218 303 A C 1.550 178.890 177.584 -0.407 0.000 1.154 303 A CA 1.219 52.921 52.037 -0.558 0.000 0.679 303 A CB -0.552 17.759 19.000 -1.149 0.000 0.795 303 A HN 0.568 nan 8.150 nan 0.000 0.458 304 G N -3.138 105.560 108.800 -0.170 0.000 2.155 304 G HA2 -0.265 3.695 3.960 0.001 0.000 0.257 304 G HA3 -0.265 3.695 3.960 0.001 0.000 0.257 304 G C -0.048 174.952 174.900 0.168 0.000 0.983 304 G CA 0.333 45.430 45.100 -0.005 0.000 0.676 304 G HN 0.387 nan 8.290 nan 0.000 0.528 305 W N 0.469 121.786 121.300 0.027 0.000 2.161 305 W HA 0.663 5.324 4.660 0.001 0.000 0.344 305 W C 0.747 177.291 176.519 0.042 0.000 1.262 305 W CA -0.822 56.545 57.345 0.036 0.000 1.270 305 W CB 0.449 29.935 29.460 0.043 0.000 1.126 305 W HN 0.079 nan 8.180 nan 0.000 0.598 306 K N 1.643 122.204 120.400 0.267 0.000 2.156 306 K HA 0.347 4.668 4.320 0.001 0.000 0.254 306 K C 1.141 177.837 176.600 0.159 0.000 0.950 306 K CA -0.719 55.667 56.287 0.164 0.000 0.849 306 K CB 1.766 34.328 32.500 0.104 0.000 1.100 306 K HN 0.245 nan 8.250 nan 0.000 0.434 307 I N 1.150 121.813 120.570 0.154 0.000 2.530 307 I HA -0.224 3.947 4.170 0.001 0.000 0.257 307 I C 1.710 177.927 176.117 0.166 0.000 1.179 307 I CA 1.525 62.942 61.300 0.194 0.000 1.440 307 I CB -0.360 37.739 38.000 0.164 0.000 1.087 307 I HN 0.917 nan 8.210 nan 0.000 0.440 308 G N 0.082 108.943 108.800 0.102 0.000 2.603 308 G HA2 -0.113 3.847 3.960 0.001 0.000 0.214 308 G HA3 -0.113 3.847 3.960 0.001 0.000 0.214 308 G C 0.990 175.897 174.900 0.011 0.000 1.140 308 G CA 0.141 45.279 45.100 0.065 0.000 0.800 308 G HN 0.282 nan 8.290 nan 0.000 0.533 309 D N 0.435 120.827 120.400 -0.013 0.000 2.312 309 D HA 0.027 4.667 4.640 0.001 0.000 0.211 309 D C 1.168 177.337 176.300 -0.218 0.000 0.964 309 D CA 0.106 54.032 54.000 -0.123 0.000 0.877 309 D CB 0.041 40.744 40.800 -0.161 0.000 0.924 309 D HN 0.226 nan 8.370 nan 0.000 0.515 310 L N 1.400 122.548 121.223 -0.124 0.000 2.455 310 L HA 0.042 4.382 4.340 0.001 0.000 0.272 310 L C 1.144 177.934 176.870 -0.133 0.000 1.174 310 L CA -0.043 54.708 54.840 -0.148 0.000 0.869 310 L CB 0.870 42.922 42.059 -0.010 0.000 1.130 310 L HN -0.079 nan 8.230 nan 0.000 0.474 311 D N 2.008 122.307 120.400 -0.169 0.000 2.202 311 D HA 0.080 4.721 4.640 0.001 0.000 0.214 311 D C 0.079 176.309 176.300 -0.116 0.000 0.967 311 D CA 1.118 55.042 54.000 -0.126 0.000 0.871 311 D CB 0.517 41.241 40.800 -0.128 0.000 1.020 311 D HN 0.156 nan 8.370 nan 0.000 0.474 312 L N 0.656 121.805 121.223 -0.123 0.000 2.381 312 L HA 0.407 4.747 4.340 0.001 0.000 0.268 312 L C -1.215 175.559 176.870 -0.160 0.000 0.997 312 L CA -0.750 54.015 54.840 -0.125 0.000 0.818 312 L CB 2.364 44.373 42.059 -0.083 0.000 1.310 312 L HN -0.294 nan 8.230 nan 0.000 0.416 313 V N 2.844 122.619 119.914 -0.232 0.000 2.841 313 V HA 0.601 4.721 4.120 0.001 0.000 0.310 313 V C -1.044 174.916 176.094 -0.222 0.000 1.090 313 V CA -0.737 61.375 62.300 -0.313 0.000 0.930 313 V CB 2.118 33.504 31.823 -0.729 0.000 1.014 313 V HN 0.635 nan 8.190 nan 0.000 0.425 314 E N 2.793 122.911 120.200 -0.136 0.000 2.186 314 E HA 0.622 4.972 4.350 0.001 0.000 0.255 314 E C -0.559 176.028 176.600 -0.022 0.000 0.881 314 E CA -0.297 56.070 56.400 -0.055 0.000 0.752 314 E CB 2.005 31.706 29.700 0.002 0.000 1.176 314 E HN 0.821 nan 8.360 nan 0.000 0.421 315 A N 4.050 126.873 122.820 0.005 0.000 2.273 315 A HA 0.296 4.617 4.320 0.001 0.000 0.320 315 A C 0.245 177.893 177.584 0.106 0.000 1.358 315 A CA -0.741 51.352 52.037 0.092 0.000 0.910 315 A CB 0.040 19.158 19.000 0.197 0.000 1.159 315 A HN 0.462 nan 8.150 nan 0.000 0.526 316 N N 1.921 120.672 118.700 0.085 0.000 2.219 316 N HA -0.063 4.678 4.740 0.001 0.000 0.263 316 N C -0.049 175.503 175.510 0.070 0.000 1.269 316 N CA 0.900 53.990 53.050 0.067 0.000 0.831 316 N CB 0.360 38.874 38.487 0.046 0.000 1.059 316 N HN 0.637 nan 8.380 nan 0.000 0.475 317 E N 2.641 122.884 120.200 0.072 0.000 2.127 317 E HA 0.199 4.549 4.350 0.001 0.000 0.262 317 E C 0.478 177.064 176.600 -0.024 0.000 1.144 317 E CA -0.454 55.994 56.400 0.080 0.000 1.144 317 E CB 0.225 30.039 29.700 0.190 0.000 1.297 317 E HN 0.676 nan 8.360 nan 0.000 0.469 318 A N 2.360 125.133 122.820 -0.078 0.000 1.877 318 A HA -0.069 4.251 4.320 0.001 0.000 0.216 318 A C 0.366 177.573 177.584 -0.628 0.000 1.186 318 A CA 1.212 53.062 52.037 -0.312 0.000 0.620 318 A CB 0.072 18.984 19.000 -0.147 0.000 0.822 318 A HN 0.394 nan 8.150 nan 0.000 0.443 319 F N -4.080 115.870 119.950 0.001 0.000 2.596 319 F HA 0.576 5.103 4.527 0.001 0.000 0.311 319 F C 0.990 176.745 175.800 -0.075 0.000 1.116 319 F CA -0.496 57.496 58.000 -0.013 0.000 0.957 319 F CB 1.563 40.537 39.000 -0.043 0.000 1.250 319 F HN 0.093 nan 8.300 nan 0.000 0.444 320 A N 2.112 125.012 122.820 0.132 0.000 1.883 320 A HA -0.072 4.248 4.320 0.001 0.000 0.217 320 A C 2.281 179.767 177.584 -0.163 0.000 1.186 320 A CA 2.334 54.343 52.037 -0.048 0.000 0.624 320 A CB -1.090 17.977 19.000 0.111 0.000 0.822 320 A HN 0.959 nan 8.150 nan 0.000 0.444 321 A N 0.232 123.035 122.820 -0.028 0.000 1.884 321 A HA -0.295 4.025 4.320 0.001 0.000 0.219 321 A C 2.150 179.644 177.584 -0.150 0.000 1.197 321 A CA 2.471 54.464 52.037 -0.074 0.000 0.637 321 A CB -0.750 18.223 19.000 -0.045 0.000 0.827 321 A HN 0.774 nan 8.150 nan 0.000 0.450 322 Q N -0.445 119.301 119.800 -0.091 0.000 2.172 322 Q HA 0.295 4.635 4.340 0.001 0.000 0.200 322 Q C 1.881 177.749 176.000 -0.221 0.000 0.964 322 Q CA 1.712 57.442 55.803 -0.121 0.000 0.855 322 Q CB -0.820 27.929 28.738 0.018 0.000 0.918 322 Q HN 0.484 nan 8.270 nan 0.000 0.444 323 A N 0.926 123.577 122.820 -0.281 0.000 1.845 323 A HA -0.178 4.143 4.320 0.001 0.000 0.215 323 A C 2.383 179.684 177.584 -0.472 0.000 1.195 323 A CA 1.429 53.224 52.037 -0.404 0.000 0.616 323 A CB -1.306 17.238 19.000 -0.760 0.000 0.832 323 A HN 0.610 nan 8.150 nan 0.000 0.443 324 C N -0.846 118.097 119.300 -0.594 0.000 2.385 324 C HA -0.108 4.352 4.460 0.001 0.000 0.275 324 C C 3.323 178.037 174.990 -0.460 0.000 1.207 324 C CA 1.121 59.895 59.018 -0.406 0.000 1.760 324 C CB -1.550 26.019 27.740 -0.284 0.000 2.051 324 C HN 0.702 nan 8.230 nan 0.000 0.467 325 A N -0.185 122.251 122.820 -0.641 0.000 1.902 325 A HA -0.082 4.238 4.320 0.001 0.000 0.217 325 A C 2.309 179.290 177.584 -1.005 0.000 1.181 325 A CA 2.128 53.406 52.037 -1.265 0.000 0.623 325 A CB -0.760 17.330 19.000 -1.516 0.000 0.818 325 A HN 0.375 nan 8.150 nan 0.000 0.443 326 V N 0.918 120.510 119.914 -0.537 0.000 2.233 326 V HA -0.295 3.826 4.120 0.001 0.000 0.247 326 V C 2.381 178.245 176.094 -0.385 0.000 1.050 326 V CA 2.378 64.476 62.300 -0.336 0.000 1.010 326 V CB -1.023 30.734 31.823 -0.109 0.000 0.637 326 V HN 0.574 nan 8.190 nan 0.000 0.444 327 N N 0.180 118.744 118.700 -0.226 0.000 2.069 327 N HA -0.208 4.532 4.740 0.001 0.000 0.191 327 N C 1.792 177.112 175.510 -0.316 0.000 1.031 327 N CA 1.641 54.587 53.050 -0.174 0.000 0.852 327 N CB -0.478 38.128 38.487 0.197 0.000 1.018 327 N HN 0.487 nan 8.380 nan 0.000 0.423 328 K N 0.536 120.753 120.400 -0.304 0.000 2.160 328 K HA -0.163 4.157 4.320 0.001 0.000 0.206 328 K C 1.536 178.015 176.600 -0.201 0.000 1.047 328 K CA 1.457 57.602 56.287 -0.237 0.000 0.930 328 K CB -0.002 32.330 32.500 -0.281 0.000 0.720 328 K HN 0.184 nan 8.250 nan 0.000 0.450 329 D N 0.130 120.339 120.400 -0.317 0.000 2.149 329 D HA -0.070 4.571 4.640 0.001 0.000 0.206 329 D C 1.896 178.068 176.300 -0.214 0.000 0.967 329 D CA 0.725 54.663 54.000 -0.103 0.000 0.848 329 D CB 0.187 41.002 40.800 0.025 0.000 0.998 329 D HN 0.222 nan 8.370 nan 0.000 0.474 330 L N 0.236 121.178 121.223 -0.469 0.000 2.362 330 L HA 0.053 4.394 4.340 0.001 0.000 0.219 330 L C 1.717 178.287 176.870 -0.499 0.000 1.134 330 L CA 0.729 55.190 54.840 -0.631 0.000 0.807 330 L CB -0.602 40.657 42.059 -1.333 0.000 0.927 330 L HN 0.190 nan 8.230 nan 0.000 0.447 331 G N 0.448 109.005 108.800 -0.404 0.000 2.258 331 G HA2 -0.269 3.691 3.960 0.001 0.000 0.274 331 G HA3 -0.269 3.691 3.960 0.001 0.000 0.274 331 G C -0.067 174.827 174.900 -0.010 0.000 1.021 331 G CA 0.442 45.450 45.100 -0.153 0.000 0.798 331 G HN 0.500 nan 8.290 nan 0.000 0.507 332 W N -0.255 121.060 121.300 0.024 0.000 2.161 332 W HA 0.638 5.298 4.660 0.001 0.000 0.344 332 W C 0.084 176.616 176.519 0.022 0.000 1.262 332 W CA -2.714 54.645 57.345 0.024 0.000 1.270 332 W CB 0.289 29.766 29.460 0.029 0.000 1.126 332 W HN 0.076 nan 8.180 nan 0.000 0.598 333 D N 2.696 123.274 120.400 0.297 0.000 2.479 333 D HA -0.021 4.619 4.640 0.001 0.000 0.257 333 D C -1.263 175.132 176.300 0.159 0.000 1.230 333 D CA -1.189 52.910 54.000 0.165 0.000 0.912 333 D CB 1.005 41.852 40.800 0.078 0.000 1.130 333 D HN 0.072 nan 8.370 nan 0.000 0.515 334 P HA -0.149 nan 4.420 nan 0.000 0.218 334 P C 1.148 178.486 177.300 0.063 0.000 1.148 334 P CA 1.173 64.364 63.100 0.150 0.000 0.822 334 P CB 0.061 31.838 31.700 0.129 0.000 0.784 335 S N -0.716 115.004 115.700 0.033 0.000 2.607 335 S HA -0.029 4.442 4.470 0.001 0.000 0.224 335 S C 1.458 176.040 174.600 -0.030 0.000 0.969 335 S CA 0.278 58.477 58.200 -0.002 0.000 0.927 335 S CB -1.280 61.919 63.200 -0.002 0.000 0.772 335 S HN 0.346 nan 8.310 nan 0.000 0.533 336 I N -1.628 118.914 120.570 -0.047 0.000 3.974 336 I HA 0.493 4.664 4.170 0.001 0.000 0.334 336 I C -0.724 175.303 176.117 -0.151 0.000 1.437 336 I CA -0.587 60.658 61.300 -0.092 0.000 1.113 336 I CB 0.628 38.568 38.000 -0.100 0.000 1.063 336 I HN -0.049 nan 8.210 nan 0.000 0.400 337 V N 3.088 122.928 119.914 -0.123 0.000 2.370 337 V HA 0.332 4.452 4.120 0.001 0.000 0.279 337 V C -0.101 175.961 176.094 -0.054 0.000 1.029 337 V CA -0.509 61.708 62.300 -0.138 0.000 0.870 337 V CB 0.652 32.441 31.823 -0.057 0.000 0.984 337 V HN 0.560 nan 8.190 nan 0.000 0.451 338 N N 3.146 121.818 118.700 -0.047 0.000 2.667 338 N HA -0.146 4.595 4.740 0.001 0.000 0.263 338 N C 0.880 176.378 175.510 -0.020 0.000 1.038 338 N CA 0.727 53.775 53.050 -0.004 0.000 0.749 338 N CB -0.884 37.623 38.487 0.034 0.000 0.892 338 N HN 0.466 nan 8.380 nan 0.000 0.546 339 V N -0.234 119.661 119.914 -0.032 0.000 2.469 339 V HA -0.207 3.913 4.120 0.001 0.000 0.251 339 V C 1.442 177.506 176.094 -0.049 0.000 1.064 339 V CA 1.779 64.051 62.300 -0.047 0.000 1.066 339 V CB -0.105 31.685 31.823 -0.056 0.000 0.667 339 V HN 0.511 nan 8.190 nan 0.000 0.461 340 N N 0.126 118.817 118.700 -0.015 0.000 2.273 340 N HA 0.398 5.138 4.740 0.001 0.000 0.231 340 N C 0.511 176.127 175.510 0.176 0.000 1.134 340 N CA 0.898 53.942 53.050 -0.011 0.000 0.856 340 N CB 0.925 39.319 38.487 -0.154 0.000 1.068 340 N HN 0.524 nan 8.380 nan 0.000 0.510 341 G N -1.188 107.661 108.800 0.081 0.000 2.661 341 G HA2 0.177 4.138 3.960 0.001 0.000 0.685 341 G HA3 0.177 4.138 3.960 0.001 0.000 0.685 341 G C -0.286 174.659 174.900 0.076 0.000 1.298 341 G CA -0.605 44.535 45.100 0.067 0.000 0.855 341 G HN 0.459 nan 8.290 nan 0.000 0.560 342 G N -2.092 106.741 108.800 0.055 0.000 3.105 342 G HA2 0.827 4.788 3.960 0.001 0.000 0.277 342 G HA3 0.827 4.788 3.960 0.001 0.000 0.277 342 G C 1.135 176.077 174.900 0.070 0.000 1.375 342 G CA 0.985 46.133 45.100 0.081 0.000 0.962 342 G HN 2.029 nan 8.290 nan 0.000 0.541 343 A N -0.624 122.237 122.820 0.069 0.000 2.024 343 A HA -0.013 4.308 4.320 0.001 0.000 0.220 343 A C 2.241 179.874 177.584 0.083 0.000 1.164 343 A CA 1.331 53.394 52.037 0.043 0.000 0.643 343 A CB -0.581 18.421 19.000 0.003 0.000 0.806 343 A HN 0.545 nan 8.150 nan 0.000 0.451 344 I N -0.952 119.679 120.570 0.101 0.000 2.423 344 I HA -0.320 3.851 4.170 0.001 0.000 0.254 344 I C 2.626 178.826 176.117 0.138 0.000 1.151 344 I CA 1.272 62.647 61.300 0.124 0.000 1.421 344 I CB -0.207 37.870 38.000 0.129 0.000 1.079 344 I HN 0.446 nan 8.210 nan 0.000 0.431 345 A N 0.281 123.154 122.820 0.088 0.000 1.970 345 A HA 0.183 4.504 4.320 0.001 0.000 0.204 345 A C 2.054 179.696 177.584 0.097 0.000 1.325 345 A CA 0.088 52.133 52.037 0.014 0.000 0.767 345 A CB -0.209 18.772 19.000 -0.032 0.000 0.949 345 A HN 0.263 nan 8.150 nan 0.000 0.481 346 I N -0.392 120.222 120.570 0.074 0.000 2.876 346 I HA 0.270 4.440 4.170 0.001 0.000 0.264 346 I C 1.229 177.387 176.117 0.069 0.000 1.204 346 I CA 0.854 62.158 61.300 0.007 0.000 1.485 346 I CB -0.449 37.487 38.000 -0.108 0.000 1.103 346 I HN 0.457 nan 8.210 nan 0.000 0.446 347 G N 1.675 110.536 108.800 0.103 0.000 2.515 347 G HA2 -0.177 3.784 3.960 0.001 0.000 0.686 347 G HA3 -0.177 3.784 3.960 0.001 0.000 0.686 347 G C -0.915 173.920 174.900 -0.109 0.000 1.274 347 G CA -0.756 44.284 45.100 -0.101 0.000 0.874 347 G HN 0.131 nan 8.290 nan 0.000 0.631 348 N N 1.164 119.761 118.700 -0.172 0.000 2.813 348 N HA 0.442 5.183 4.740 0.001 0.000 0.282 348 N C -2.346 173.094 175.510 -0.116 0.000 1.748 348 N CA -1.641 51.334 53.050 -0.125 0.000 0.860 348 N CB 1.494 39.897 38.487 -0.139 0.000 1.204 348 N HN 0.354 nan 8.380 nan 0.000 0.490 349 P HA 0.086 nan 4.420 nan 0.000 0.249 349 P C 1.540 178.810 177.300 -0.051 0.000 1.737 349 P CA -0.109 62.954 63.100 -0.062 0.000 1.128 349 P CB -0.060 31.614 31.700 -0.043 0.000 1.942 350 I N 1.864 122.400 120.570 -0.056 0.000 2.889 350 I HA -0.415 3.755 4.170 0.001 0.000 0.209 350 I C 2.515 178.612 176.117 -0.033 0.000 0.878 350 I CA 2.370 63.644 61.300 -0.043 0.000 1.175 350 I CB -1.675 36.301 38.000 -0.040 0.000 0.900 350 I HN 0.280 nan 8.210 nan 0.000 0.357 351 G N -0.379 108.402 108.800 -0.031 0.000 2.469 351 G HA2 -0.200 3.760 3.960 0.001 0.000 0.220 351 G HA3 -0.200 3.760 3.960 0.001 0.000 0.220 351 G C 1.511 176.389 174.900 -0.036 0.000 1.136 351 G CA 1.070 46.152 45.100 -0.031 0.000 0.759 351 G HN 0.652 nan 8.290 nan 0.000 0.562 352 A N -0.182 122.615 122.820 -0.038 0.000 2.308 352 A HA 0.472 4.793 4.320 0.001 0.000 0.217 352 A C 2.395 179.962 177.584 -0.029 0.000 1.216 352 A CA 1.182 53.196 52.037 -0.038 0.000 0.864 352 A CB 0.022 18.996 19.000 -0.043 0.000 0.902 352 A HN 0.208 nan 8.150 nan 0.000 0.499 353 S N 0.244 115.928 115.700 -0.027 0.000 2.383 353 S HA -0.135 4.336 4.470 0.001 0.000 0.229 353 S C 2.026 176.623 174.600 -0.005 0.000 1.030 353 S CA 1.455 59.644 58.200 -0.018 0.000 1.002 353 S CB -0.374 62.813 63.200 -0.021 0.000 0.829 353 S HN 0.756 nan 8.310 nan 0.000 0.467 354 G N 0.871 109.667 108.800 -0.008 0.000 2.408 354 G HA2 0.021 3.981 3.960 0.001 0.000 0.217 354 G HA3 0.021 3.981 3.960 0.001 0.000 0.217 354 G C 1.437 176.334 174.900 -0.003 0.000 1.150 354 G CA 0.777 45.876 45.100 -0.002 0.000 0.776 354 G HN 0.584 nan 8.290 nan 0.000 0.542 355 A N -0.084 122.728 122.820 -0.014 0.000 2.072 355 A HA 0.217 4.538 4.320 0.001 0.000 0.216 355 A C 2.326 179.920 177.584 0.016 0.000 1.156 355 A CA 1.089 53.122 52.037 -0.007 0.000 0.701 355 A CB -0.247 18.739 19.000 -0.023 0.000 0.816 355 A HN 0.209 nan 8.150 nan 0.000 0.458 356 R N 0.922 121.427 120.500 0.009 0.000 2.064 356 R HA -0.115 4.225 4.340 0.001 0.000 0.228 356 R C 2.146 178.470 176.300 0.040 0.000 1.144 356 R CA 2.004 58.113 56.100 0.016 0.000 0.932 356 R CB -0.883 29.413 30.300 -0.007 0.000 0.833 356 R HN 0.702 nan 8.270 nan 0.000 0.429 357 I N -0.492 120.099 120.570 0.036 0.000 2.423 357 I HA -0.222 3.948 4.170 0.001 0.000 0.254 357 I C 2.291 178.447 176.117 0.064 0.000 1.151 357 I CA 1.242 62.574 61.300 0.053 0.000 1.421 357 I CB -0.365 37.661 38.000 0.044 0.000 1.079 357 I HN 0.162 nan 8.210 nan 0.000 0.431 358 L N 1.644 122.899 121.223 0.054 0.000 1.989 358 L HA -0.254 4.086 4.340 0.001 0.000 0.211 358 L C 2.562 179.483 176.870 0.086 0.000 1.071 358 L CA 2.000 56.871 54.840 0.053 0.000 0.749 358 L CB -0.658 41.421 42.059 0.032 0.000 0.890 358 L HN 0.398 nan 8.230 nan 0.000 0.431 359 N N -0.964 117.815 118.700 0.132 0.000 2.036 359 N HA -0.211 4.529 4.740 0.001 0.000 0.195 359 N C 1.609 177.316 175.510 0.328 0.000 1.037 359 N CA 2.220 55.433 53.050 0.273 0.000 0.855 359 N CB -0.354 38.304 38.487 0.286 0.000 1.033 359 N HN 0.407 nan 8.380 nan 0.000 0.423 360 T N 3.089 117.782 114.554 0.232 0.000 2.685 360 T HA -0.146 4.204 4.350 0.001 0.000 0.268 360 T C 1.886 176.690 174.700 0.174 0.000 1.034 360 T CA 0.676 62.917 62.100 0.234 0.000 1.149 360 T CB -0.297 68.695 68.868 0.208 0.000 0.860 360 T HN 0.180 nan 8.240 nan 0.000 0.449 361 L N 0.639 121.932 121.223 0.116 0.000 1.976 361 L HA -0.050 4.290 4.340 0.001 0.000 0.209 361 L C 2.360 179.258 176.870 0.047 0.000 1.071 361 L CA 1.850 56.727 54.840 0.061 0.000 0.746 361 L CB -0.895 41.187 42.059 0.038 0.000 0.890 361 L HN 0.341 nan 8.230 nan 0.000 0.432 362 L N -1.051 120.188 121.223 0.028 0.000 1.994 362 L HA -0.261 4.080 4.340 0.001 0.000 0.208 362 L C 2.579 179.389 176.870 -0.099 0.000 1.071 362 L CA 1.365 56.157 54.840 -0.080 0.000 0.745 362 L CB -0.727 41.213 42.059 -0.197 0.000 0.892 362 L HN 0.148 nan 8.230 nan 0.000 0.431 363 F N 0.249 120.213 119.950 0.023 0.000 2.494 363 F HA -0.190 4.338 4.527 0.001 0.000 0.298 363 F C 2.452 178.252 175.800 0.001 0.000 1.106 363 F CA 1.137 59.148 58.000 0.018 0.000 1.452 363 F CB -0.212 38.808 39.000 0.035 0.000 1.085 363 F HN 0.159 nan 8.300 nan 0.000 0.569 364 E N 0.173 120.456 120.200 0.138 0.000 2.127 364 E HA -0.068 4.282 4.350 0.001 0.000 0.191 364 E C 2.065 178.675 176.600 0.016 0.000 0.964 364 E CA 0.892 57.326 56.400 0.057 0.000 0.832 364 E CB -0.225 29.493 29.700 0.031 0.000 0.790 364 E HN 0.320 nan 8.360 nan 0.000 0.465 365 M N 0.371 119.972 119.600 0.001 0.000 2.267 365 M HA -0.139 4.341 4.480 0.001 0.000 0.263 365 M C 2.232 178.519 176.300 -0.021 0.000 1.063 365 M CA 1.579 56.866 55.300 -0.021 0.000 1.090 365 M CB -0.178 32.404 32.600 -0.029 0.000 1.392 365 M HN 0.015 nan 8.290 nan 0.000 0.422 366 K N 1.360 121.750 120.400 -0.016 0.000 2.007 366 K HA -0.145 4.175 4.320 0.001 0.000 0.206 366 K C 2.038 178.642 176.600 0.008 0.000 1.047 366 K CA 1.318 57.599 56.287 -0.011 0.000 0.937 366 K CB -0.093 32.398 32.500 -0.016 0.000 0.718 366 K HN 0.335 nan 8.250 nan 0.000 0.438 367 R N 0.855 121.371 120.500 0.027 0.000 2.285 367 R HA -0.091 4.249 4.340 0.001 0.000 0.213 367 R C 1.717 178.016 176.300 -0.002 0.000 1.068 367 R CA 1.445 57.556 56.100 0.019 0.000 1.004 367 R CB -0.245 30.070 30.300 0.025 0.000 0.873 367 R HN 0.292 nan 8.270 nan 0.000 0.467 368 R N -0.921 119.573 120.500 -0.009 0.000 2.446 368 R HA 0.279 4.620 4.340 0.001 0.000 0.254 368 R C 0.660 176.946 176.300 -0.022 0.000 0.918 368 R CA 0.294 56.382 56.100 -0.020 0.000 1.069 368 R CB 0.455 30.738 30.300 -0.027 0.000 1.194 368 R HN 0.179 nan 8.270 nan 0.000 0.534 369 G N 0.983 109.771 108.800 -0.020 0.000 2.160 369 G HA2 -0.288 3.672 3.960 0.001 0.000 0.244 369 G HA3 -0.288 3.672 3.960 0.001 0.000 0.244 369 G C 0.258 175.138 174.900 -0.033 0.000 1.022 369 G CA 0.051 45.137 45.100 -0.023 0.000 0.741 369 G HN 0.682 nan 8.290 nan 0.000 0.508 370 A N -0.966 121.832 122.820 -0.037 0.000 2.445 370 A HA 0.745 5.065 4.320 0.001 0.000 0.242 370 A C 1.255 178.808 177.584 -0.052 0.000 1.075 370 A CA 1.102 53.108 52.037 -0.052 0.000 0.777 370 A CB 0.384 19.352 19.000 -0.054 0.000 1.013 370 A HN 0.513 nan 8.150 nan 0.000 0.493 371 R N 0.470 120.925 120.500 -0.075 0.000 2.119 371 R HA 0.164 4.505 4.340 0.001 0.000 0.202 371 R C -0.114 176.134 176.300 -0.086 0.000 1.114 371 R CA 0.945 57.005 56.100 -0.068 0.000 1.089 371 R CB 0.006 30.259 30.300 -0.077 0.000 1.000 371 R HN 0.710 nan 8.270 nan 0.000 0.487 372 K N 0.018 120.294 120.400 -0.206 0.000 2.203 372 K HA 0.675 4.996 4.320 0.001 0.000 0.251 372 K C -0.294 176.183 176.600 -0.204 0.000 0.944 372 K CA -0.565 55.502 56.287 -0.366 0.000 0.829 372 K CB 2.190 34.082 32.500 -1.014 0.000 1.125 372 K HN 0.193 nan 8.250 nan 0.000 0.430 373 G N 1.097 109.898 108.800 0.001 0.000 2.782 373 G HA2 0.736 4.696 3.960 0.001 0.000 0.304 373 G HA3 0.736 4.696 3.960 0.001 0.000 0.304 373 G C -1.966 173.053 174.900 0.199 0.000 1.315 373 G CA -0.731 44.402 45.100 0.056 0.000 0.791 373 G HN 0.516 nan 8.290 nan 0.000 0.519 374 L N -1.044 120.235 121.223 0.094 0.000 2.666 374 L HA 0.710 5.050 4.340 0.001 0.000 0.259 374 L C -1.303 175.590 176.870 0.039 0.000 0.919 374 L CA -0.713 54.195 54.840 0.112 0.000 0.927 374 L CB 1.742 43.885 42.059 0.141 0.000 1.423 374 L HN 1.192 nan 8.230 nan 0.000 0.426 375 A N 2.954 125.817 122.820 0.072 0.000 2.319 375 A HA 0.796 5.116 4.320 0.001 0.000 0.310 375 A C -0.685 176.953 177.584 0.088 0.000 1.152 375 A CA -0.306 51.764 52.037 0.056 0.000 0.783 375 A CB 1.827 20.858 19.000 0.051 0.000 1.184 375 A HN 0.643 nan 8.150 nan 0.000 0.474 376 T N 1.559 116.169 114.554 0.095 0.000 2.901 376 T HA 0.772 5.123 4.350 0.001 0.000 0.293 376 T C -1.426 173.339 174.700 0.108 0.000 1.084 376 T CA -0.304 61.871 62.100 0.127 0.000 1.008 376 T CB 0.666 69.646 68.868 0.186 0.000 1.170 376 T HN 0.570 nan 8.240 nan 0.000 0.509 377 L N 2.016 123.303 121.223 0.106 0.000 2.465 377 L HA 0.636 4.977 4.340 0.001 0.000 0.257 377 L C -0.033 176.892 176.870 0.092 0.000 0.988 377 L CA -0.884 54.009 54.840 0.087 0.000 0.827 377 L CB 1.639 43.737 42.059 0.064 0.000 1.397 377 L HN 0.956 nan 8.230 nan 0.000 0.410 378 C N 0.417 119.768 119.300 0.085 0.000 2.382 378 C HA 0.894 5.355 4.460 0.001 0.000 0.363 378 C C -0.083 174.958 174.990 0.085 0.000 1.213 378 C CA -0.815 58.257 59.018 0.090 0.000 2.363 378 C CB 0.372 28.169 27.740 0.095 0.000 2.397 378 C HN 0.634 nan 8.230 nan 0.000 0.573 379 I N 1.515 122.139 120.570 0.090 0.000 2.686 379 I HA 0.482 4.652 4.170 0.001 0.000 0.295 379 I C 0.831 177.003 176.117 0.092 0.000 1.114 379 I CA -0.359 60.991 61.300 0.084 0.000 1.038 379 I CB 1.687 39.736 38.000 0.082 0.000 1.238 379 I HN 1.042 nan 8.210 nan 0.000 0.420 380 G N 2.155 111.002 108.800 0.079 0.000 2.432 380 G HA2 0.387 4.348 3.960 0.001 0.000 0.239 380 G HA3 0.387 4.348 3.960 0.001 0.000 0.239 380 G C 0.938 175.899 174.900 0.101 0.000 1.291 380 G CA 0.662 45.809 45.100 0.077 0.000 0.863 380 G HN 1.246 nan 8.290 nan 0.000 0.560 381 G N 0.014 108.905 108.800 0.150 0.000 2.199 381 G HA2 0.229 4.189 3.960 0.001 0.000 0.254 381 G HA3 0.229 4.189 3.960 0.001 0.000 0.254 381 G C 1.213 176.264 174.900 0.253 0.000 0.982 381 G CA 0.887 46.161 45.100 0.290 0.000 0.632 381 G HN 2.726 nan 8.290 nan 0.000 0.529 382 G N -0.849 108.050 108.800 0.166 0.000 2.467 382 G HA2 0.050 4.011 3.960 0.001 0.000 0.242 382 G HA3 0.050 4.011 3.960 0.001 0.000 0.242 382 G C 0.018 174.980 174.900 0.103 0.000 1.127 382 G CA 0.883 46.057 45.100 0.124 0.000 0.924 382 G HN 1.023 nan 8.290 nan 0.000 0.499 383 M N -0.886 118.776 119.600 0.103 0.000 2.788 383 M HA 0.818 5.298 4.480 0.001 0.000 0.291 383 M C 0.498 176.855 176.300 0.095 0.000 1.213 383 M CA -0.339 55.019 55.300 0.096 0.000 0.768 383 M CB 2.427 35.087 32.600 0.100 0.000 1.766 383 M HN 0.816 nan 8.290 nan 0.000 0.460 384 G N 0.004 108.865 108.800 0.101 0.000 2.702 384 G HA2 0.533 4.493 3.960 0.001 0.000 0.296 384 G HA3 0.533 4.493 3.960 0.001 0.000 0.296 384 G C -2.486 172.492 174.900 0.129 0.000 1.463 384 G CA -0.457 44.706 45.100 0.106 0.000 0.890 384 G HN 0.581 nan 8.290 nan 0.000 0.534 385 V N 0.614 120.610 119.914 0.135 0.000 2.680 385 V HA 0.948 5.069 4.120 0.001 0.000 0.309 385 V C -0.119 176.081 176.094 0.176 0.000 1.052 385 V CA 0.093 62.497 62.300 0.173 0.000 0.908 385 V CB 1.515 33.420 31.823 0.136 0.000 1.001 385 V HN 1.899 nan 8.190 nan 0.000 0.431 386 A N 6.702 129.660 122.820 0.229 0.000 2.469 386 A HA 0.998 5.318 4.320 0.001 0.000 0.299 386 A C -0.870 176.861 177.584 0.246 0.000 1.098 386 A CA -0.743 51.417 52.037 0.205 0.000 0.737 386 A CB 2.044 21.147 19.000 0.172 0.000 1.312 386 A HN 1.393 nan 8.150 nan 0.000 0.414 387 M N 1.294 121.007 119.600 0.188 0.000 2.296 387 M HA 0.398 4.878 4.480 0.001 0.000 0.268 387 M C -2.091 174.291 176.300 0.137 0.000 1.048 387 M CA -0.207 55.202 55.300 0.181 0.000 0.966 387 M CB 1.178 33.866 32.600 0.146 0.000 1.912 387 M HN 0.704 nan 8.290 nan 0.000 0.484 388 C N 5.147 124.502 119.300 0.091 0.000 2.330 388 C HA 0.680 5.141 4.460 0.001 0.000 0.344 388 C C -0.023 175.043 174.990 0.125 0.000 1.273 388 C CA -0.781 58.311 59.018 0.123 0.000 1.879 388 C CB 0.148 27.805 27.740 -0.138 0.000 2.376 388 C HN 0.601 nan 8.230 nan 0.000 0.534 389 I N 2.776 123.503 120.570 0.261 0.000 2.493 389 I HA 0.400 4.571 4.170 0.001 0.000 0.298 389 I C -0.057 176.270 176.117 0.351 0.000 0.998 389 I CA -0.179 61.247 61.300 0.210 0.000 1.137 389 I CB 1.676 39.746 38.000 0.118 0.000 1.310 389 I HN 0.715 nan 8.210 nan 0.000 0.445 390 E N 4.380 124.741 120.200 0.268 0.000 2.255 390 E HA 0.275 4.625 4.350 0.001 0.000 0.245 390 E C -0.264 176.411 176.600 0.125 0.000 0.909 390 E CA -0.436 56.130 56.400 0.277 0.000 0.747 390 E CB 0.951 30.853 29.700 0.337 0.000 1.215 390 E HN 0.617 nan 8.360 nan 0.000 0.424 391 S N 3.544 119.286 115.700 0.070 0.000 2.569 391 S HA 0.160 4.631 4.470 0.001 0.000 0.274 391 S C 0.302 174.919 174.600 0.028 0.000 1.353 391 S CA -0.472 57.743 58.200 0.025 0.000 1.023 391 S CB 0.416 63.614 63.200 -0.003 0.000 0.876 391 S HN 0.416 nan 8.310 nan 0.000 0.540 392 L N 0.000 121.231 121.223 0.013 0.000 2.949 392 L HA 0.000 4.340 4.340 0.001 0.000 0.249 392 L CA 0.000 54.849 54.840 0.015 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