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 2vu2_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 IAIGHPIGAS 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 0.000 174.613 174.600 0.022 0.000 1.055 4 S CA 0.000 58.215 58.200 0.025 0.000 1.107 4 S CB 0.000 63.216 63.200 0.027 0.000 0.593 5 I N 4.267 124.851 120.570 0.023 0.000 2.378 5 I HA 0.591 4.762 4.170 0.001 0.000 0.291 5 I C -0.133 175.991 176.117 0.013 0.000 0.992 5 I CA -0.767 60.542 61.300 0.015 0.000 1.154 5 I CB 1.172 39.179 38.000 0.013 0.000 1.315 5 I HN 0.329 nan 8.210 nan 0.000 0.448 6 V N 4.252 124.169 119.914 0.005 0.000 2.864 6 V HA 0.631 4.751 4.120 0.001 0.000 0.314 6 V C -0.198 175.889 176.094 -0.012 0.000 1.073 6 V CA -0.894 61.406 62.300 0.000 0.000 0.956 6 V CB 2.447 34.270 31.823 0.000 0.000 1.023 6 V HN 0.468 nan 8.190 nan 0.000 0.435 7 I N 3.288 123.846 120.570 -0.021 0.000 2.269 7 I HA 0.413 4.583 4.170 0.001 0.000 0.293 7 I C 1.538 177.630 176.117 -0.042 0.000 1.106 7 I CA 0.008 61.287 61.300 -0.034 0.000 1.248 7 I CB 1.215 39.187 38.000 -0.047 0.000 1.444 7 I HN 0.907 nan 8.210 nan 0.000 0.497 8 A N 4.696 127.499 122.820 -0.028 0.000 1.969 8 A HA -0.028 4.293 4.320 0.001 0.000 0.218 8 A C 1.084 178.649 177.584 -0.031 0.000 1.169 8 A CA 1.497 53.519 52.037 -0.024 0.000 0.635 8 A CB -0.112 18.882 19.000 -0.011 0.000 0.810 8 A HN 0.697 nan 8.150 nan 0.000 0.445 9 S N -3.675 112.009 115.700 -0.027 0.000 2.615 9 S HA 0.760 5.231 4.470 0.001 0.000 0.269 9 S C -0.724 173.881 174.600 0.009 0.000 1.161 9 S CA -0.069 58.125 58.200 -0.010 0.000 0.817 9 S CB 1.094 64.312 63.200 0.030 0.000 1.131 9 S HN 1.707 nan 8.310 nan 0.000 0.467 10 A N 0.282 123.150 122.820 0.079 0.000 2.602 10 A HA 1.082 5.402 4.320 0.001 0.000 0.290 10 A C -0.618 177.122 177.584 0.261 0.000 1.114 10 A CA -0.519 51.604 52.037 0.142 0.000 0.683 10 A CB 0.783 19.853 19.000 0.117 0.000 1.281 10 A HN 2.522 nan 8.150 nan 0.000 0.416 11 A N -0.051 122.886 122.820 0.195 0.000 2.567 11 A HA 0.853 5.173 4.320 0.001 0.000 0.291 11 A C -0.874 176.755 177.584 0.075 0.000 1.048 11 A CA 0.012 52.129 52.037 0.134 0.000 0.661 11 A CB 1.028 20.080 19.000 0.086 0.000 1.288 11 A HN 2.154 nan 8.150 nan 0.000 0.424 12 R N -0.572 119.950 120.500 0.036 0.000 2.692 12 R HA 0.740 5.081 4.340 0.001 0.000 0.269 12 R C -0.459 175.839 176.300 -0.003 0.000 1.030 12 R CA -0.010 56.094 56.100 0.007 0.000 0.882 12 R CB 1.003 31.309 30.300 0.011 0.000 1.250 12 R HN 1.248 nan 8.270 nan 0.000 0.465 13 T N -0.351 114.184 114.554 -0.032 0.000 2.868 13 T HA 0.544 4.894 4.350 0.001 0.000 0.292 13 T C 0.845 175.567 174.700 0.036 0.000 1.028 13 T CA -0.212 61.881 62.100 -0.011 0.000 1.059 13 T CB 1.047 69.811 68.868 -0.174 0.000 0.991 13 T HN 0.797 nan 8.240 nan 0.000 0.531 14 A N 1.679 124.566 122.820 0.111 0.000 2.547 14 A HA 0.435 4.755 4.320 0.001 0.000 0.233 14 A C 0.390 178.058 177.584 0.141 0.000 1.067 14 A CA -0.578 51.511 52.037 0.088 0.000 0.763 14 A CB -0.268 18.794 19.000 0.103 0.000 1.007 14 A HN 0.915 nan 8.150 nan 0.000 0.506 15 V N 2.502 122.437 119.914 0.036 0.000 2.385 15 V HA 0.485 4.605 4.120 0.001 0.000 0.269 15 V C 1.103 177.198 176.094 0.002 0.000 1.043 15 V CA 0.144 62.471 62.300 0.045 0.000 0.906 15 V CB 0.606 32.421 31.823 -0.012 0.000 0.995 15 V HN 1.096 nan 8.190 nan 0.000 0.467 16 G N 3.493 112.287 108.800 -0.009 0.000 2.448 16 G HA2 0.463 4.424 3.960 0.001 0.000 0.285 16 G HA3 0.463 4.424 3.960 0.001 0.000 0.285 16 G C 0.090 174.926 174.900 -0.107 0.000 1.176 16 G CA -0.285 44.670 45.100 -0.241 0.000 0.852 16 G HN 0.634 nan 8.290 nan 0.000 0.530 17 S N -0.332 115.315 115.700 -0.089 0.000 2.617 17 S HA 0.253 4.723 4.470 0.001 0.000 0.259 17 S C -0.157 174.455 174.600 0.021 0.000 1.301 17 S CA -0.335 57.847 58.200 -0.029 0.000 0.984 17 S CB 0.611 63.871 63.200 0.099 0.000 0.954 17 S HN 0.428 nan 8.310 nan 0.000 0.572 18 F N 3.059 122.949 119.950 -0.100 0.000 2.519 18 F HA 0.111 4.638 4.527 0.001 0.000 0.375 18 F C 0.914 176.700 175.800 -0.022 0.000 1.084 18 F CA -0.410 57.557 58.000 -0.055 0.000 1.147 18 F CB -0.958 38.017 39.000 -0.041 0.000 1.088 18 F HN 0.542 nan 8.300 nan 0.000 0.555 19 N N 2.995 121.423 118.700 -0.453 0.000 2.735 19 N HA -0.197 4.544 4.740 0.001 0.000 0.248 19 N C 0.555 175.968 175.510 -0.161 0.000 1.083 19 N CA 0.861 53.699 53.050 -0.353 0.000 0.703 19 N CB -1.307 36.914 38.487 -0.444 0.000 1.005 19 N HN 0.802 nan 8.380 nan 0.000 0.550 20 G N 0.008 108.732 108.800 -0.126 0.000 2.992 20 G HA2 0.492 4.452 3.960 0.001 0.000 0.201 20 G HA3 0.492 4.452 3.960 0.001 0.000 0.201 20 G C 1.162 175.967 174.900 -0.159 0.000 2.057 20 G CA 0.702 45.733 45.100 -0.114 0.000 0.800 20 G HN 0.345 nan 8.290 nan 0.000 0.700 21 A N -0.492 122.149 122.820 -0.298 0.000 1.929 21 A HA 0.275 4.596 4.320 0.001 0.000 0.216 21 A C 1.353 178.762 177.584 -0.291 0.000 1.176 21 A CA 1.098 52.883 52.037 -0.420 0.000 0.628 21 A CB -0.312 18.214 19.000 -0.789 0.000 0.816 21 A HN 0.327 nan 8.150 nan 0.000 0.444 22 F N -0.854 119.072 119.950 -0.041 0.000 2.850 22 F HA 0.526 5.054 4.527 0.001 0.000 0.306 22 F C 1.841 177.593 175.800 -0.080 0.000 1.162 22 F CA -0.876 57.087 58.000 -0.062 0.000 1.327 22 F CB -0.876 38.043 39.000 -0.136 0.000 0.953 22 F HN 0.202 nan 8.300 nan 0.000 0.507 23 A N 0.763 123.602 122.820 0.032 0.000 1.903 23 A HA -0.226 4.094 4.320 0.001 0.000 0.219 23 A C 1.831 179.402 177.584 -0.023 0.000 1.191 23 A CA 2.023 54.029 52.037 -0.053 0.000 0.638 23 A CB -0.409 18.535 19.000 -0.093 0.000 0.823 23 A HN 0.383 nan 8.150 nan 0.000 0.451 24 N N -0.374 118.338 118.700 0.020 0.000 2.273 24 N HA 0.081 4.821 4.740 0.001 0.000 0.231 24 N C -0.848 174.683 175.510 0.035 0.000 1.134 24 N CA 0.190 53.252 53.050 0.020 0.000 0.856 24 N CB 0.663 39.162 38.487 0.019 0.000 1.068 24 N HN 0.241 nan 8.380 nan 0.000 0.510 25 T N 2.748 117.329 114.554 0.044 0.000 2.801 25 T HA 0.314 4.664 4.350 0.001 0.000 0.306 25 T C -2.479 172.157 174.700 -0.108 0.000 1.020 25 T CA -1.360 60.741 62.100 0.001 0.000 0.948 25 T CB 1.842 70.725 68.868 0.024 0.000 0.962 25 T HN -0.033 nan 8.240 nan 0.000 0.465 26 P HA 0.116 nan 4.420 nan 0.000 0.266 26 P C 0.728 177.845 177.300 -0.304 0.000 1.193 26 P CA -0.128 62.855 63.100 -0.195 0.000 0.770 26 P CB 0.516 32.065 31.700 -0.253 0.000 0.836 27 A N 3.506 126.220 122.820 -0.177 0.000 1.917 27 A HA -0.259 4.062 4.320 0.001 0.000 0.219 27 A C 1.981 179.454 177.584 -0.185 0.000 1.182 27 A CA 1.948 53.884 52.037 -0.168 0.000 0.633 27 A CB -1.751 17.208 19.000 -0.068 0.000 0.819 27 A HN 0.810 nan 8.150 nan 0.000 0.448 28 H N -0.875 118.152 119.070 -0.072 0.000 2.421 28 H HA -0.059 4.498 4.556 0.001 0.000 0.298 28 H C 1.526 176.832 175.328 -0.038 0.000 1.087 28 H CA 1.399 57.415 56.048 -0.053 0.000 1.330 28 H CB -0.557 29.188 29.762 -0.029 0.000 1.388 28 H HN 0.638 nan 8.280 nan 0.000 0.526 29 E N 0.958 120.874 120.200 -0.474 0.000 2.110 29 E HA -0.068 4.282 4.350 0.001 0.000 0.193 29 E C 2.574 179.166 176.600 -0.013 0.000 0.988 29 E CA 0.823 57.134 56.400 -0.148 0.000 0.804 29 E CB 0.075 29.712 29.700 -0.104 0.000 0.745 29 E HN 0.465 nan 8.360 nan 0.000 0.458 30 L N 0.218 121.245 121.223 -0.327 0.000 2.093 30 L HA -0.071 4.270 4.340 0.001 0.000 0.208 30 L C 2.578 179.320 176.870 -0.214 0.000 1.085 30 L CA 1.115 55.642 54.840 -0.523 0.000 0.755 30 L CB -0.572 41.062 42.059 -0.708 0.000 0.904 30 L HN 0.201 nan 8.230 nan 0.000 0.435 31 G N -0.405 108.313 108.800 -0.136 0.000 2.402 31 G HA2 -0.193 3.767 3.960 0.001 0.000 0.216 31 G HA3 -0.193 3.767 3.960 0.001 0.000 0.216 31 G C 1.774 176.664 174.900 -0.018 0.000 1.162 31 G CA 0.724 45.782 45.100 -0.070 0.000 0.777 31 G HN 0.439 nan 8.290 nan 0.000 0.539 32 A N 0.203 123.035 122.820 0.020 0.000 1.930 32 A HA 0.025 4.345 4.320 0.001 0.000 0.217 32 A C 2.490 180.101 177.584 0.046 0.000 1.175 32 A CA 2.305 54.367 52.037 0.040 0.000 0.627 32 A CB -0.823 18.216 19.000 0.066 0.000 0.815 32 A HN 0.274 nan 8.150 nan 0.000 0.443 33 T N -0.361 114.243 114.554 0.083 0.000 2.788 33 T HA -0.104 4.246 4.350 0.001 0.000 0.268 33 T C 1.809 176.544 174.700 0.059 0.000 1.044 33 T CA 1.690 63.852 62.100 0.104 0.000 1.139 33 T CB -0.277 68.758 68.868 0.279 0.000 0.867 33 T HN 0.183 nan 8.240 nan 0.000 0.454 34 V N 0.808 120.738 119.914 0.027 0.000 2.719 34 V HA 0.004 4.124 4.120 0.001 0.000 0.252 34 V C 2.239 178.339 176.094 0.010 0.000 1.065 34 V CA 0.979 63.285 62.300 0.011 0.000 1.086 34 V CB -0.508 31.304 31.823 -0.020 0.000 0.700 34 V HN 0.464 nan 8.190 nan 0.000 0.467 35 I N -0.077 120.495 120.570 0.003 0.000 2.202 35 I HA -0.183 3.987 4.170 0.001 0.000 0.242 35 I C 2.603 178.726 176.117 0.010 0.000 1.091 35 I CA 1.400 62.700 61.300 0.000 0.000 1.368 35 I CB -0.339 37.658 38.000 -0.005 0.000 1.058 35 I HN 0.204 nan 8.210 nan 0.000 0.410 36 S N 0.648 116.358 115.700 0.016 0.000 2.370 36 S HA -0.203 4.267 4.470 0.001 0.000 0.226 36 S C 2.218 176.831 174.600 0.021 0.000 1.033 36 S CA 1.426 59.636 58.200 0.017 0.000 1.011 36 S CB -0.367 62.843 63.200 0.016 0.000 0.852 36 S HN 0.544 nan 8.310 nan 0.000 0.457 37 A N 1.429 124.266 122.820 0.028 0.000 1.858 37 A HA -0.074 4.246 4.320 0.001 0.000 0.216 37 A C 2.461 180.071 177.584 0.043 0.000 1.190 37 A CA 1.812 53.871 52.037 0.036 0.000 0.617 37 A CB -1.145 17.881 19.000 0.043 0.000 0.827 37 A HN 0.555 nan 8.150 nan 0.000 0.443 38 V N -2.358 117.580 119.914 0.040 0.000 2.407 38 V HA -0.180 3.941 4.120 0.001 0.000 0.248 38 V C 2.193 178.305 176.094 0.029 0.000 1.055 38 V CA 1.767 64.092 62.300 0.041 0.000 1.049 38 V CB -1.044 30.795 31.823 0.028 0.000 0.662 38 V HN 0.252 nan 8.190 nan 0.000 0.455 39 L N 0.759 121.995 121.223 0.021 0.000 2.017 39 L HA -0.114 4.226 4.340 0.001 0.000 0.208 39 L C 2.767 179.649 176.870 0.020 0.000 1.073 39 L CA 2.422 57.272 54.840 0.017 0.000 0.745 39 L CB -1.455 40.611 42.059 0.012 0.000 0.894 39 L HN 0.599 nan 8.230 nan 0.000 0.432 40 E N -0.539 119.675 120.200 0.023 0.000 2.072 40 E HA -0.209 4.141 4.350 0.001 0.000 0.191 40 E C 2.319 178.938 176.600 0.031 0.000 0.985 40 E CA 0.911 57.325 56.400 0.024 0.000 0.801 40 E CB 0.085 29.798 29.700 0.023 0.000 0.750 40 E HN 0.374 nan 8.360 nan 0.000 0.452 41 R N -0.236 120.290 120.500 0.042 0.000 2.115 41 R HA -0.045 4.296 4.340 0.001 0.000 0.230 41 R C 2.175 178.502 176.300 0.044 0.000 1.111 41 R CA 1.061 57.194 56.100 0.056 0.000 0.976 41 R CB -0.101 30.252 30.300 0.089 0.000 0.870 41 R HN 0.122 nan 8.270 nan 0.000 0.445 42 A N 0.058 122.898 122.820 0.033 0.000 2.132 42 A HA 0.202 4.522 4.320 0.001 0.000 0.213 42 A C 1.299 178.894 177.584 0.018 0.000 1.154 42 A CA 0.690 52.740 52.037 0.021 0.000 0.753 42 A CB 0.003 19.012 19.000 0.015 0.000 0.826 42 A HN 0.406 nan 8.150 nan 0.000 0.469 43 G N -0.877 107.934 108.800 0.019 0.000 2.256 43 G HA2 -0.111 3.850 3.960 0.001 0.000 0.272 43 G HA3 -0.111 3.850 3.960 0.001 0.000 0.272 43 G C -0.171 174.736 174.900 0.012 0.000 1.076 43 G CA 0.224 45.333 45.100 0.015 0.000 0.882 43 G HN 0.933 nan 8.290 nan 0.000 0.497 44 V N -0.030 119.891 119.914 0.012 0.000 2.540 44 V HA 0.834 4.954 4.120 0.001 0.000 0.302 44 V C 0.734 176.834 176.094 0.009 0.000 1.035 44 V CA -0.546 61.760 62.300 0.010 0.000 0.873 44 V CB 1.715 33.543 31.823 0.008 0.000 0.992 44 V HN 1.224 nan 8.190 nan 0.000 0.428 45 A N 3.229 126.054 122.820 0.008 0.000 2.371 45 A HA 0.666 4.986 4.320 0.001 0.000 0.257 45 A C 1.476 179.064 177.584 0.007 0.000 1.089 45 A CA 0.330 52.372 52.037 0.007 0.000 0.794 45 A CB 0.710 19.714 19.000 0.007 0.000 1.029 45 A HN 1.425 nan 8.150 nan 0.000 0.488 46 A N 2.043 124.867 122.820 0.007 0.000 2.070 46 A HA 0.075 4.395 4.320 0.001 0.000 0.220 46 A C 2.046 179.634 177.584 0.007 0.000 1.159 46 A CA 1.978 54.019 52.037 0.007 0.000 0.656 46 A CB -0.930 18.074 19.000 0.007 0.000 0.800 46 A HN 1.430 nan 8.150 nan 0.000 0.453 47 G N -0.653 108.151 108.800 0.007 0.000 2.559 47 G HA2 -0.096 3.865 3.960 0.001 0.000 0.216 47 G HA3 -0.096 3.865 3.960 0.001 0.000 0.216 47 G C 1.209 176.114 174.900 0.008 0.000 1.126 47 G CA 0.865 45.970 45.100 0.007 0.000 0.778 47 G HN 0.694 nan 8.290 nan 0.000 0.543 48 E N -0.613 119.592 120.200 0.008 0.000 2.452 48 E HA 0.141 4.491 4.350 0.001 0.000 0.197 48 E C 0.216 176.821 176.600 0.009 0.000 1.022 48 E CA -0.386 56.019 56.400 0.008 0.000 0.890 48 E CB 0.814 30.518 29.700 0.007 0.000 0.918 48 E HN 0.152 nan 8.360 nan 0.000 0.496 49 V N 2.458 122.377 119.914 0.008 0.000 2.470 49 V HA -0.027 4.094 4.120 0.001 0.000 0.276 49 V C 0.717 176.820 176.094 0.014 0.000 1.040 49 V CA 0.462 62.767 62.300 0.008 0.000 1.008 49 V CB 0.929 32.755 31.823 0.004 0.000 0.990 49 V HN 0.231 nan 8.190 nan 0.000 0.477 50 N N 3.340 122.051 118.700 0.018 0.000 2.395 50 N HA 0.088 4.828 4.740 0.001 0.000 0.175 50 N C 0.326 175.862 175.510 0.044 0.000 1.029 50 N CA 0.274 53.342 53.050 0.029 0.000 0.897 50 N CB 0.537 39.042 38.487 0.030 0.000 0.991 50 N HN 0.784 nan 8.380 nan 0.000 0.441 51 E N 0.091 120.316 120.200 0.041 0.000 2.381 51 E HA 0.226 4.576 4.350 0.001 0.000 0.286 51 E C -1.893 174.707 176.600 0.000 0.000 0.960 51 E CA -0.427 56.010 56.400 0.062 0.000 0.793 51 E CB 1.788 31.570 29.700 0.137 0.000 1.225 51 E HN -0.250 nan 8.360 nan 0.000 0.420 52 V N 5.520 125.414 119.914 -0.033 0.000 2.347 52 V HA 0.445 4.566 4.120 0.001 0.000 0.280 52 V C -0.121 175.788 176.094 -0.309 0.000 1.021 52 V CA -0.445 61.782 62.300 -0.121 0.000 0.847 52 V CB 0.844 32.620 31.823 -0.079 0.000 0.990 52 V HN 0.521 nan 8.190 nan 0.000 0.444 53 I N 6.491 126.804 120.570 -0.428 0.000 2.354 53 I HA 0.487 4.658 4.170 0.001 0.000 0.286 53 I C -0.685 175.116 176.117 -0.526 0.000 1.007 53 I CA -0.295 60.519 61.300 -0.811 0.000 1.167 53 I CB 1.335 38.761 38.000 -0.957 0.000 1.320 53 I HN 0.349 nan 8.210 nan 0.000 0.458 54 L N 5.743 126.690 121.223 -0.460 0.000 2.343 54 L HA 0.548 4.888 4.340 0.001 0.000 0.278 54 L C 0.662 177.397 176.870 -0.225 0.000 0.996 54 L CA -0.668 54.011 54.840 -0.268 0.000 0.831 54 L CB 1.884 43.840 42.059 -0.173 0.000 1.232 54 L HN 0.678 nan 8.230 nan 0.000 0.413 55 G N 2.307 110.997 108.800 -0.183 0.000 2.398 55 G HA2 0.329 4.290 3.960 0.001 0.000 0.246 55 G HA3 0.329 4.290 3.960 0.001 0.000 0.246 55 G C -0.707 174.140 174.900 -0.088 0.000 1.289 55 G CA 0.090 45.119 45.100 -0.119 0.000 0.869 55 G HN 0.643 nan 8.290 nan 0.000 0.543 56 Q N 1.292 121.057 119.800 -0.059 0.000 2.352 56 Q HA 0.364 4.704 4.340 0.001 0.000 0.270 56 Q C -0.537 175.446 176.000 -0.029 0.000 1.006 56 Q CA -0.800 54.974 55.803 -0.047 0.000 0.880 56 Q CB 2.063 30.778 28.738 -0.038 0.000 1.392 56 Q HN 0.288 nan 8.270 nan 0.000 0.401 57 V N 3.379 123.272 119.914 -0.035 0.000 3.212 57 V HA 0.160 4.280 4.120 0.001 0.000 0.244 57 V C 0.516 176.597 176.094 -0.022 0.000 1.151 57 V CA 0.454 62.738 62.300 -0.027 0.000 1.119 57 V CB 0.461 32.261 31.823 -0.038 0.000 0.838 57 V HN 0.680 nan 8.190 nan 0.000 0.470 58 L N 2.524 123.734 121.223 -0.021 0.000 2.784 58 L HA 0.334 4.674 4.340 0.001 0.000 0.241 58 L C -1.859 175.010 176.870 -0.001 0.000 1.352 58 L CA -0.740 54.093 54.840 -0.012 0.000 0.911 58 L CB 1.144 43.197 42.059 -0.011 0.000 1.227 58 L HN 0.177 nan 8.230 nan 0.000 0.501 59 P HA 0.056 nan 4.420 nan 0.000 0.257 59 P C 0.603 177.915 177.300 0.020 0.000 1.281 59 P CA 0.077 63.186 63.100 0.015 0.000 0.826 59 P CB 0.366 32.074 31.700 0.014 0.000 1.237 60 A N 0.721 123.551 122.820 0.016 0.000 2.484 60 A HA 0.454 4.775 4.320 0.001 0.000 0.268 60 A C 1.517 179.118 177.584 0.029 0.000 1.114 60 A CA 0.686 52.735 52.037 0.020 0.000 0.780 60 A CB -1.138 17.872 19.000 0.016 0.000 1.061 60 A HN 0.357 nan 8.150 nan 0.000 0.505 61 G N 1.666 110.484 108.800 0.031 0.000 2.176 61 G HA2 -0.233 3.728 3.960 0.001 0.000 0.232 61 G HA3 -0.233 3.728 3.960 0.001 0.000 0.232 61 G C 0.632 175.557 174.900 0.042 0.000 0.986 61 G CA 0.583 45.706 45.100 0.037 0.000 0.643 61 G HN 0.806 nan 8.290 nan 0.000 0.522 62 E N 0.395 120.621 120.200 0.044 0.000 2.479 62 E HA 0.427 4.778 4.350 0.001 0.000 0.193 62 E C 1.444 178.055 176.600 0.020 0.000 1.049 62 E CA 0.998 57.436 56.400 0.064 0.000 0.870 62 E CB -0.053 29.706 29.700 0.098 0.000 0.944 62 E HN 1.666 nan 8.360 nan 0.000 0.492 63 G N 0.984 109.789 108.800 0.008 0.000 2.728 63 G HA2 -0.284 3.676 3.960 0.001 0.000 0.294 63 G HA3 -0.284 3.676 3.960 0.001 0.000 0.294 63 G C -0.739 174.148 174.900 -0.022 0.000 1.342 63 G CA -0.538 44.554 45.100 -0.013 0.000 0.866 63 G HN 0.270 nan 8.290 nan 0.000 0.534 64 Q N 0.383 120.167 119.800 -0.026 0.000 2.264 64 Q HA 0.173 4.514 4.340 0.001 0.000 0.296 64 Q C 0.961 176.945 176.000 -0.028 0.000 1.103 64 Q CA 0.919 56.711 55.803 -0.020 0.000 0.967 64 Q CB 0.013 28.740 28.738 -0.018 0.000 1.090 64 Q HN 0.922 nan 8.270 nan 0.000 0.379 65 N N 3.788 122.485 118.700 -0.006 0.000 2.607 65 N HA -0.169 4.571 4.740 0.001 0.000 0.285 65 N C -2.347 173.151 175.510 -0.020 0.000 1.151 65 N CA -0.052 53.002 53.050 0.007 0.000 0.749 65 N CB 0.003 38.507 38.487 0.029 0.000 0.923 65 N HN 0.386 nan 8.380 nan 0.000 0.552 66 P HA -0.183 nan 4.420 nan 0.000 0.218 66 P C 1.119 178.415 177.300 -0.007 0.000 1.146 66 P CA 2.066 65.150 63.100 -0.025 0.000 0.820 66 P CB -0.013 31.711 31.700 0.039 0.000 0.778 67 A N -0.243 122.571 122.820 -0.010 0.000 1.902 67 A HA -0.231 4.089 4.320 0.001 0.000 0.217 67 A C 2.408 179.982 177.584 -0.017 0.000 1.181 67 A CA 1.992 54.012 52.037 -0.029 0.000 0.623 67 A CB -1.049 17.917 19.000 -0.056 0.000 0.818 67 A HN 0.022 nan 8.150 nan 0.000 0.443 68 R N 0.086 120.584 120.500 -0.003 0.000 2.092 68 R HA -0.098 4.243 4.340 0.001 0.000 0.231 68 R C 2.184 178.467 176.300 -0.027 0.000 1.119 68 R CA 2.062 58.161 56.100 -0.002 0.000 0.970 68 R CB -0.644 29.661 30.300 0.008 0.000 0.864 68 R HN 0.702 nan 8.270 nan 0.000 0.440 69 Q N -0.675 119.084 119.800 -0.068 0.000 2.119 69 Q HA -0.047 4.293 4.340 0.001 0.000 0.201 69 Q C 2.095 178.086 176.000 -0.015 0.000 0.972 69 Q CA 1.569 57.298 55.803 -0.125 0.000 0.847 69 Q CB -0.191 28.305 28.738 -0.403 0.000 0.903 69 Q HN 0.447 nan 8.270 nan 0.000 0.433 70 A N 1.381 124.227 122.820 0.043 0.000 1.858 70 A HA -0.144 4.177 4.320 0.001 0.000 0.216 70 A C 2.351 179.957 177.584 0.036 0.000 1.190 70 A CA 1.653 53.737 52.037 0.079 0.000 0.617 70 A CB -0.954 18.077 19.000 0.051 0.000 0.827 70 A HN 0.393 nan 8.150 nan 0.000 0.443 71 A N -0.728 122.098 122.820 0.010 0.000 1.865 71 A HA -0.191 4.129 4.320 0.001 0.000 0.217 71 A C 2.253 179.843 177.584 0.010 0.000 1.191 71 A CA 2.195 54.234 52.037 0.004 0.000 0.623 71 A CB -0.551 18.448 19.000 -0.002 0.000 0.826 71 A HN 0.453 nan 8.150 nan 0.000 0.444 72 M N -0.788 118.817 119.600 0.008 0.000 2.086 72 M HA -0.134 4.347 4.480 0.001 0.000 0.261 72 M C 2.196 178.505 176.300 0.016 0.000 1.067 72 M CA 2.094 57.398 55.300 0.008 0.000 1.116 72 M CB -1.044 31.555 32.600 -0.001 0.000 1.348 72 M HN 0.554 nan 8.290 nan 0.000 0.407 73 K N 0.325 120.743 120.400 0.029 0.000 2.147 73 K HA -0.050 4.270 4.320 0.001 0.000 0.205 73 K C 1.691 178.309 176.600 0.031 0.000 1.049 73 K CA 1.292 57.603 56.287 0.040 0.000 0.936 73 K CB -0.039 32.508 32.500 0.080 0.000 0.722 73 K HN 0.258 nan 8.250 nan 0.000 0.446 74 A N 0.102 122.939 122.820 0.028 0.000 2.239 74 A HA 0.124 4.445 4.320 0.001 0.000 0.209 74 A C 1.390 178.981 177.584 0.013 0.000 1.171 74 A CA 0.964 53.013 52.037 0.020 0.000 0.768 74 A CB -0.650 18.360 19.000 0.016 0.000 0.790 74 A HN 0.570 nan 8.150 nan 0.000 0.478 75 G N -1.665 107.142 108.800 0.012 0.000 2.143 75 G HA2 -0.207 3.753 3.960 0.001 0.000 0.249 75 G HA3 -0.207 3.753 3.960 0.001 0.000 0.249 75 G C 0.182 175.087 174.900 0.008 0.000 0.981 75 G CA 0.100 45.205 45.100 0.008 0.000 0.665 75 G HN 0.831 nan 8.290 nan 0.000 0.528 76 V N 2.792 122.711 119.914 0.008 0.000 2.655 76 V HA 0.353 4.473 4.120 0.001 0.000 0.300 76 V C -0.511 175.588 176.094 0.008 0.000 1.044 76 V CA -0.663 61.641 62.300 0.008 0.000 1.095 76 V CB 0.905 32.731 31.823 0.006 0.000 0.952 76 V HN 0.324 nan 8.190 nan 0.000 0.485 77 P HA 0.108 nan 4.420 nan 0.000 0.274 77 P C 0.264 177.570 177.300 0.010 0.000 1.256 77 P CA -0.467 62.638 63.100 0.009 0.000 0.795 77 P CB 0.560 32.265 31.700 0.009 0.000 1.038 78 Q N -0.303 119.502 119.800 0.009 0.000 2.436 78 Q HA -0.117 4.223 4.340 0.001 0.000 0.209 78 Q C 0.841 176.848 176.000 0.011 0.000 0.965 78 Q CA 1.298 57.106 55.803 0.009 0.000 0.910 78 Q CB -0.333 28.409 28.738 0.006 0.000 0.980 78 Q HN 0.353 nan 8.270 nan 0.000 0.491 79 E N 1.570 121.777 120.200 0.012 0.000 2.230 79 E HA 0.119 4.469 4.350 0.001 0.000 0.192 79 E C 0.572 177.183 176.600 0.018 0.000 0.987 79 E CA 0.714 57.122 56.400 0.013 0.000 0.841 79 E CB 0.046 29.753 29.700 0.011 0.000 0.783 79 E HN 0.506 nan 8.360 nan 0.000 0.481 80 A N 0.894 123.726 122.820 0.021 0.000 2.346 80 A HA 0.402 4.723 4.320 0.001 0.000 0.255 80 A C 0.588 178.197 177.584 0.042 0.000 1.113 80 A CA 0.117 52.172 52.037 0.030 0.000 0.798 80 A CB 0.091 19.107 19.000 0.026 0.000 1.073 80 A HN 0.194 nan 8.150 nan 0.000 0.502 81 T N -2.474 112.119 114.554 0.064 0.000 2.942 81 T HA 0.827 5.178 4.350 0.001 0.000 0.289 81 T C -0.422 174.358 174.700 0.134 0.000 1.044 81 T CA -0.096 62.063 62.100 0.098 0.000 1.023 81 T CB 1.766 70.704 68.868 0.115 0.000 1.123 81 T HN 2.048 nan 8.240 nan 0.000 0.512 82 A N 1.104 124.036 122.820 0.186 0.000 2.604 82 A HA 0.823 5.143 4.320 0.001 0.000 0.295 82 A C -1.855 175.923 177.584 0.324 0.000 1.067 82 A CA -1.084 51.056 52.037 0.171 0.000 0.683 82 A CB 1.442 20.471 19.000 0.050 0.000 1.281 82 A HN 1.236 nan 8.150 nan 0.000 0.407 83 W N 0.418 121.706 121.300 -0.019 0.000 3.153 83 W HA 0.662 5.322 4.660 0.001 0.000 0.316 83 W C -0.410 176.096 176.519 -0.021 0.000 1.255 83 W CA -0.777 56.556 57.345 -0.020 0.000 1.192 83 W CB 0.768 30.216 29.460 -0.020 0.000 1.400 83 W HN 1.327 nan 8.180 nan 0.000 0.568 84 G N 1.428 110.319 108.800 0.152 0.000 2.441 84 G HA2 0.807 4.768 3.960 0.001 0.000 0.334 84 G HA3 0.807 4.768 3.960 0.001 0.000 0.334 84 G C -1.088 173.900 174.900 0.146 0.000 1.161 84 G CA -0.987 44.127 45.100 0.023 0.000 0.935 84 G HN 0.593 nan 8.290 nan 0.000 0.488 85 M N -0.239 119.385 119.600 0.040 0.000 2.575 85 M HA 0.625 5.106 4.480 0.001 0.000 0.284 85 M C -1.308 175.015 176.300 0.040 0.000 1.253 85 M CA -1.200 54.164 55.300 0.108 0.000 0.861 85 M CB 2.344 35.042 32.600 0.164 0.000 1.733 85 M HN 0.332 nan 8.290 nan 0.000 0.462 86 N N 0.964 119.697 118.700 0.055 0.000 2.577 86 N HA 0.326 5.066 4.740 0.001 0.000 0.275 86 N C -1.765 173.771 175.510 0.042 0.000 1.091 86 N CA -0.085 52.984 53.050 0.031 0.000 0.843 86 N CB 1.649 40.151 38.487 0.024 0.000 1.295 86 N HN 0.942 nan 8.380 nan 0.000 0.530 87 Q N 5.271 125.094 119.800 0.038 0.000 2.233 87 Q HA 0.338 4.678 4.340 0.001 0.000 0.340 87 Q C 0.232 176.261 176.000 0.049 0.000 0.899 87 Q CA -0.353 55.482 55.803 0.054 0.000 1.139 87 Q CB -0.021 28.758 28.738 0.068 0.000 1.273 87 Q HN 0.774 nan 8.270 nan 0.000 0.431 88 L N -2.124 119.117 121.223 0.031 0.000 6.593 88 L HA -0.539 3.802 4.340 0.001 0.000 0.053 88 L C 1.482 178.367 176.870 0.024 0.000 1.816 88 L CA 1.253 56.108 54.840 0.025 0.000 1.701 88 L CB -1.609 40.477 42.059 0.046 0.000 2.696 88 L HN 0.438 nan 8.230 nan 0.000 1.037 89 C N 0.131 119.468 119.300 0.060 0.000 2.398 89 C HA -0.152 4.308 4.460 0.001 0.000 0.279 89 C C 2.390 177.428 174.990 0.079 0.000 1.250 89 C CA 1.076 60.149 59.018 0.091 0.000 1.786 89 C CB -1.892 25.983 27.740 0.224 0.000 2.018 89 C HN 0.893 nan 8.230 nan 0.000 0.494 90 G N 0.080 108.927 108.800 0.078 0.000 2.650 90 G HA2 -0.037 3.924 3.960 0.001 0.000 0.214 90 G HA3 -0.037 3.924 3.960 0.001 0.000 0.214 90 G C 1.593 176.515 174.900 0.037 0.000 1.136 90 G CA 0.854 45.998 45.100 0.074 0.000 0.789 90 G HN 0.563 nan 8.290 nan 0.000 0.536 91 S N 1.032 116.740 115.700 0.015 0.000 2.359 91 S HA -0.151 4.319 4.470 0.001 0.000 0.223 91 S C 2.550 177.122 174.600 -0.048 0.000 1.039 91 S CA 1.398 59.588 58.200 -0.016 0.000 1.042 91 S CB -0.773 62.411 63.200 -0.027 0.000 0.915 91 S HN 0.503 nan 8.310 nan 0.000 0.439 92 G N 0.829 109.601 108.800 -0.046 0.000 2.450 92 G HA2 -0.162 3.799 3.960 0.001 0.000 0.220 92 G HA3 -0.162 3.799 3.960 0.001 0.000 0.220 92 G C 1.359 176.225 174.900 -0.057 0.000 1.130 92 G CA 0.876 45.939 45.100 -0.060 0.000 0.760 92 G HN 0.398 nan 8.290 nan 0.000 0.557 93 L N -0.329 120.875 121.223 -0.031 0.000 2.202 93 L HA 0.382 4.723 4.340 0.001 0.000 0.205 93 L C 2.605 179.430 176.870 -0.076 0.000 1.083 93 L CA 1.025 55.849 54.840 -0.027 0.000 0.790 93 L CB -0.251 41.823 42.059 0.026 0.000 0.942 93 L HN 0.123 nan 8.230 nan 0.000 0.452 94 R N 0.268 120.723 120.500 -0.076 0.000 2.092 94 R HA -0.021 4.320 4.340 0.001 0.000 0.231 94 R C 2.132 178.308 176.300 -0.206 0.000 1.119 94 R CA 1.530 57.538 56.100 -0.153 0.000 0.970 94 R CB -0.790 29.472 30.300 -0.064 0.000 0.864 94 R HN 0.411 nan 8.270 nan 0.000 0.440 95 A N -0.234 122.485 122.820 -0.168 0.000 1.917 95 A HA -0.143 4.178 4.320 0.001 0.000 0.219 95 A C 2.274 179.729 177.584 -0.214 0.000 1.182 95 A CA 1.945 53.849 52.037 -0.221 0.000 0.633 95 A CB -0.766 18.091 19.000 -0.238 0.000 0.819 95 A HN 0.183 nan 8.150 nan 0.000 0.448 96 V N -0.259 119.547 119.914 -0.180 0.000 2.295 96 V HA -0.232 3.888 4.120 0.001 0.000 0.246 96 V C 3.050 179.015 176.094 -0.214 0.000 1.049 96 V CA 1.946 64.151 62.300 -0.158 0.000 1.024 96 V CB -1.396 30.363 31.823 -0.108 0.000 0.648 96 V HN 0.627 nan 8.190 nan 0.000 0.447 97 A N -0.025 122.595 122.820 -0.333 0.000 1.877 97 A HA -0.174 4.147 4.320 0.001 0.000 0.216 97 A C 2.231 179.516 177.584 -0.499 0.000 1.186 97 A CA 1.925 53.602 52.037 -0.602 0.000 0.620 97 A CB -0.651 17.621 19.000 -1.213 0.000 0.822 97 A HN 0.496 nan 8.150 nan 0.000 0.443 98 L N -0.621 120.378 121.223 -0.374 0.000 2.079 98 L HA -0.162 4.179 4.340 0.001 0.000 0.210 98 L C 2.782 179.619 176.870 -0.054 0.000 1.081 98 L CA 1.064 55.815 54.840 -0.148 0.000 0.752 98 L CB -0.730 41.333 42.059 0.007 0.000 0.896 98 L HN 0.513 nan 8.230 nan 0.000 0.433 99 G N -0.665 108.075 108.800 -0.101 0.000 2.408 99 G HA2 -0.280 3.681 3.960 0.001 0.000 0.217 99 G HA3 -0.280 3.681 3.960 0.001 0.000 0.217 99 G C 1.609 176.481 174.900 -0.047 0.000 1.150 99 G CA 0.550 45.614 45.100 -0.060 0.000 0.776 99 G HN 0.176 nan 8.290 nan 0.000 0.542 100 M N 0.398 119.946 119.600 -0.087 0.000 2.080 100 M HA -0.117 4.364 4.480 0.001 0.000 0.260 100 M C 2.546 178.832 176.300 -0.022 0.000 1.068 100 M CA 1.697 56.962 55.300 -0.058 0.000 1.109 100 M CB -0.618 31.930 32.600 -0.088 0.000 1.342 100 M HN 0.323 nan 8.290 nan 0.000 0.405 101 Q N -0.246 119.534 119.800 -0.033 0.000 2.124 101 Q HA -0.223 4.118 4.340 0.001 0.000 0.202 101 Q C 2.014 178.032 176.000 0.031 0.000 0.977 101 Q CA 1.525 57.339 55.803 0.018 0.000 0.850 101 Q CB -0.175 28.577 28.738 0.023 0.000 0.901 101 Q HN 0.565 nan 8.270 nan 0.000 0.429 102 Q N 0.444 120.266 119.800 0.037 0.000 2.077 102 Q HA -0.176 4.164 4.340 0.001 0.000 0.206 102 Q C 2.087 178.106 176.000 0.033 0.000 0.989 102 Q CA 1.486 57.318 55.803 0.048 0.000 0.853 102 Q CB -0.418 28.363 28.738 0.072 0.000 0.907 102 Q HN 0.482 nan 8.270 nan 0.000 0.418 103 I N 0.420 121.004 120.570 0.024 0.000 2.286 103 I HA -0.164 4.006 4.170 0.001 0.000 0.245 103 I C 2.272 178.402 176.117 0.021 0.000 1.104 103 I CA 0.939 62.251 61.300 0.019 0.000 1.397 103 I CB -0.410 37.597 38.000 0.012 0.000 1.072 103 I HN 0.056 nan 8.210 nan 0.000 0.417 104 A N 0.558 123.393 122.820 0.025 0.000 2.015 104 A HA -0.171 4.150 4.320 0.001 0.000 0.219 104 A C 2.286 179.888 177.584 0.030 0.000 1.163 104 A CA 2.071 54.127 52.037 0.031 0.000 0.646 104 A CB -0.996 18.030 19.000 0.043 0.000 0.806 104 A HN 0.516 nan 8.150 nan 0.000 0.448 105 T N -4.738 109.834 114.554 0.030 0.000 3.107 105 T HA 0.409 4.760 4.350 0.001 0.000 0.249 105 T C 1.254 175.965 174.700 0.020 0.000 1.096 105 T CA 1.003 63.119 62.100 0.026 0.000 1.012 105 T CB 0.036 68.920 68.868 0.027 0.000 0.977 105 T HN 1.654 nan 8.240 nan 0.000 0.527 106 G N 1.676 110.488 108.800 0.020 0.000 2.147 106 G HA2 -0.201 3.759 3.960 0.001 0.000 0.244 106 G HA3 -0.201 3.759 3.960 0.001 0.000 0.244 106 G C 0.312 175.221 174.900 0.015 0.000 1.005 106 G CA 0.231 45.341 45.100 0.016 0.000 0.713 106 G HN 0.555 nan 8.290 nan 0.000 0.515 107 D N 0.039 120.450 120.400 0.019 0.000 2.360 107 D HA 0.486 5.126 4.640 0.001 0.000 0.210 107 D C 1.178 177.493 176.300 0.024 0.000 1.047 107 D CA 1.239 55.250 54.000 0.018 0.000 0.854 107 D CB 0.699 41.510 40.800 0.018 0.000 0.936 107 D HN 1.106 nan 8.370 nan 0.000 0.514 108 A N -0.705 122.130 122.820 0.025 0.000 2.605 108 A HA 0.513 4.834 4.320 0.001 0.000 0.294 108 A C 0.263 177.859 177.584 0.021 0.000 1.062 108 A CA -0.443 51.610 52.037 0.027 0.000 0.682 108 A CB 1.218 20.242 19.000 0.039 0.000 1.278 108 A HN -0.124 nan 8.150 nan 0.000 0.410 109 S N -0.120 115.591 115.700 0.018 0.000 2.510 109 S HA 0.391 4.862 4.470 0.001 0.000 0.230 109 S C 0.420 175.026 174.600 0.011 0.000 1.066 109 S CA 0.691 58.899 58.200 0.013 0.000 0.941 109 S CB 0.025 63.232 63.200 0.012 0.000 0.829 109 S HN 0.563 nan 8.310 nan 0.000 0.530 110 I N 2.381 122.958 120.570 0.011 0.000 2.466 110 I HA 0.407 4.578 4.170 0.001 0.000 0.289 110 I C -1.522 174.597 176.117 0.004 0.000 1.026 110 I CA -0.490 60.813 61.300 0.006 0.000 1.078 110 I CB 2.054 40.056 38.000 0.005 0.000 1.249 110 I HN 0.074 nan 8.210 nan 0.000 0.429 111 I N 6.937 127.504 120.570 -0.006 0.000 2.478 111 I HA 0.292 4.462 4.170 0.001 0.000 0.287 111 I C -0.238 175.858 176.117 -0.035 0.000 1.042 111 I CA -0.706 60.585 61.300 -0.016 0.000 1.067 111 I CB 2.023 40.013 38.000 -0.016 0.000 1.233 111 I HN 0.115 nan 8.210 nan 0.000 0.431 112 V N 6.005 125.892 119.914 -0.045 0.000 2.368 112 V HA 0.693 4.813 4.120 0.001 0.000 0.266 112 V C 0.570 176.604 176.094 -0.101 0.000 1.045 112 V CA -0.211 62.054 62.300 -0.057 0.000 0.899 112 V CB 1.091 32.887 31.823 -0.045 0.000 1.006 112 V HN 0.887 nan 8.190 nan 0.000 0.470 113 A N 3.942 126.699 122.820 -0.105 0.000 2.435 113 A HA 1.075 5.395 4.320 0.001 0.000 0.296 113 A C 0.323 177.834 177.584 -0.122 0.000 1.147 113 A CA 0.055 52.001 52.037 -0.151 0.000 0.775 113 A CB 2.085 20.989 19.000 -0.159 0.000 1.340 113 A HN 1.421 nan 8.150 nan 0.000 0.427 114 G N -1.330 107.384 108.800 -0.144 0.000 2.470 114 G HA2 0.596 4.557 3.960 0.001 0.000 0.145 114 G HA3 0.596 4.557 3.960 0.001 0.000 0.145 114 G C -0.100 174.727 174.900 -0.121 0.000 1.223 114 G CA 0.354 45.389 45.100 -0.107 0.000 1.058 114 G HN 2.268 nan 8.290 nan 0.000 0.469 115 G N -0.880 107.859 108.800 -0.100 0.000 2.608 115 G HA2 0.808 4.768 3.960 0.001 0.000 0.291 115 G HA3 0.808 4.768 3.960 0.001 0.000 0.291 115 G C -0.848 173.992 174.900 -0.100 0.000 1.425 115 G CA 0.204 45.242 45.100 -0.104 0.000 0.787 115 G HN 1.769 nan 8.290 nan 0.000 0.484 116 M N -0.793 118.746 119.600 -0.101 0.000 2.414 116 M HA 0.881 5.361 4.480 0.001 0.000 0.287 116 M C -1.771 174.469 176.300 -0.101 0.000 1.181 116 M CA -0.907 54.327 55.300 -0.111 0.000 0.933 116 M CB 2.724 35.257 32.600 -0.113 0.000 1.732 116 M HN 0.476 nan 8.290 nan 0.000 0.486 117 E N 0.728 120.862 120.200 -0.111 0.000 2.321 117 E HA 0.545 4.896 4.350 0.001 0.000 0.281 117 E C -1.931 174.622 176.600 -0.079 0.000 0.910 117 E CA -0.193 56.155 56.400 -0.087 0.000 0.770 117 E CB 2.592 32.236 29.700 -0.092 0.000 1.225 117 E HN 0.692 nan 8.360 nan 0.000 0.417 118 S N 4.947 120.616 115.700 -0.052 0.000 2.532 118 S HA 0.297 4.768 4.470 0.001 0.000 0.256 118 S C 0.624 175.238 174.600 0.024 0.000 1.298 118 S CA -0.359 57.826 58.200 -0.025 0.000 1.166 118 S CB 0.098 63.269 63.200 -0.048 0.000 1.022 118 S HN 0.696 nan 8.310 nan 0.000 0.480 119 M N 1.787 121.427 119.600 0.067 0.000 2.319 119 M HA -0.025 4.455 4.480 0.001 0.000 0.265 119 M C 2.138 178.600 176.300 0.270 0.000 1.068 119 M CA 0.869 56.258 55.300 0.148 0.000 1.118 119 M CB -0.311 32.380 32.600 0.152 0.000 1.395 119 M HN 0.515 nan 8.290 nan 0.000 0.435 120 S N 0.439 116.226 115.700 0.146 0.000 2.368 120 S HA -0.036 4.434 4.470 0.001 0.000 0.225 120 S C 1.745 176.329 174.600 -0.026 0.000 1.030 120 S CA 1.124 59.274 58.200 -0.085 0.000 0.999 120 S CB -0.084 63.015 63.200 -0.169 0.000 0.844 120 S HN 0.428 nan 8.310 nan 0.000 0.459 121 M N 0.880 120.487 119.600 0.012 0.000 2.495 121 M HA 0.293 4.774 4.480 0.001 0.000 0.237 121 M C 0.699 177.022 176.300 0.039 0.000 1.131 121 M CA -0.138 55.172 55.300 0.017 0.000 1.032 121 M CB -1.200 31.404 32.600 0.008 0.000 1.513 121 M HN 0.150 nan 8.290 nan 0.000 0.488 122 A N 3.604 126.456 122.820 0.053 0.000 2.524 122 A HA 0.311 4.632 4.320 0.001 0.000 0.250 122 A C -1.979 175.633 177.584 0.046 0.000 1.078 122 A CA -0.679 51.384 52.037 0.042 0.000 0.761 122 A CB -0.745 18.277 19.000 0.038 0.000 1.012 122 A HN 0.160 nan 8.150 nan 0.000 0.500 123 P HA 0.351 nan 4.420 nan 0.000 0.279 123 P C -0.827 176.494 177.300 0.035 0.000 1.276 123 P CA -0.328 62.821 63.100 0.081 0.000 0.801 123 P CB 0.609 32.355 31.700 0.076 0.000 1.127 124 H N -1.231 117.869 119.070 0.051 0.000 2.467 124 H HA 0.444 5.000 4.556 0.001 0.000 0.331 124 H C 0.231 175.593 175.328 0.056 0.000 1.120 124 H CA 0.061 56.140 56.048 0.052 0.000 1.270 124 H CB 0.383 30.171 29.762 0.043 0.000 1.466 124 H HN 0.594 nan 8.280 nan 0.000 0.504 125 C N 1.242 120.632 119.300 0.150 0.000 3.154 125 C HA 1.012 5.472 4.460 0.001 0.000 0.312 125 C C -0.677 174.407 174.990 0.157 0.000 1.349 125 C CA -0.698 58.397 59.018 0.129 0.000 1.518 125 C CB 0.838 28.628 27.740 0.083 0.000 1.934 125 C HN 1.016 nan 8.230 nan 0.000 0.462 126 A N 0.142 123.067 122.820 0.175 0.000 2.582 126 A HA 0.596 4.917 4.320 0.001 0.000 0.297 126 A C -1.283 176.420 177.584 0.198 0.000 1.059 126 A CA -0.260 51.912 52.037 0.226 0.000 0.705 126 A CB 0.510 19.736 19.000 0.377 0.000 1.279 126 A HN 1.279 nan 8.150 nan 0.000 0.404 127 H N 2.764 121.873 119.070 0.064 0.000 2.934 127 H HA 0.497 5.054 4.556 0.001 0.000 0.273 127 H C -0.713 174.582 175.328 -0.054 0.000 1.121 127 H CA 0.069 56.121 56.048 0.008 0.000 1.451 127 H CB 0.471 30.235 29.762 0.003 0.000 1.469 127 H HN 0.502 nan 8.280 nan 0.000 0.476 128 L N 5.653 126.684 121.223 -0.319 0.000 3.267 128 L HA 0.241 4.581 4.340 0.001 0.000 0.289 128 L C 1.972 178.630 176.870 -0.353 0.000 1.260 128 L CA -0.167 54.452 54.840 -0.368 0.000 1.034 128 L CB 0.287 42.200 42.059 -0.243 0.000 1.413 128 L HN 0.540 nan 8.230 nan 0.000 0.594 129 R N 0.391 120.591 120.500 -0.499 0.000 2.073 129 R HA 0.018 4.359 4.340 0.001 0.000 0.229 129 R C 2.189 178.351 176.300 -0.230 0.000 1.120 129 R CA 1.279 57.217 56.100 -0.270 0.000 0.967 129 R CB -0.259 29.969 30.300 -0.120 0.000 0.862 129 R HN 0.413 nan 8.270 nan 0.000 0.436 130 G N 0.548 109.161 108.800 -0.312 0.000 2.509 130 G HA2 0.079 4.039 3.960 0.001 0.000 0.218 130 G HA3 0.079 4.039 3.960 0.001 0.000 0.218 130 G C 0.488 175.294 174.900 -0.158 0.000 1.124 130 G CA 0.561 45.556 45.100 -0.175 0.000 0.776 130 G HN 0.581 nan 8.290 nan 0.000 0.547 131 G N -1.616 107.058 108.800 -0.209 0.000 2.999 131 G HA2 -0.001 3.960 3.960 0.001 0.000 0.686 131 G HA3 -0.001 3.960 3.960 0.001 0.000 0.686 131 G C -0.552 174.238 174.900 -0.185 0.000 1.057 131 G CA -0.413 44.579 45.100 -0.180 0.000 0.784 131 G HN 0.765 nan 8.290 nan 0.000 0.575 132 V N 4.981 124.763 119.914 -0.219 0.000 2.304 132 V HA 0.198 4.319 4.120 0.001 0.000 0.262 132 V C 1.581 177.619 176.094 -0.094 0.000 1.061 132 V CA -0.355 61.831 62.300 -0.190 0.000 0.872 132 V CB 1.099 32.730 31.823 -0.319 0.000 1.077 132 V HN 0.790 nan 8.190 nan 0.000 0.480 133 K N 3.195 123.558 120.400 -0.062 0.000 2.063 133 K HA 0.006 4.326 4.320 0.001 0.000 0.208 133 K C 0.503 177.096 176.600 -0.012 0.000 1.048 133 K CA 1.495 57.762 56.287 -0.033 0.000 0.928 133 K CB 0.148 32.633 32.500 -0.025 0.000 0.713 133 K HN 0.594 nan 8.250 nan 0.000 0.442 134 M N -2.019 117.581 119.600 -0.001 0.000 2.603 134 M HA 0.382 4.862 4.480 0.001 0.000 0.275 134 M C -1.415 174.910 176.300 0.041 0.000 1.226 134 M CA 0.233 55.546 55.300 0.020 0.000 0.870 134 M CB 2.478 35.087 32.600 0.015 0.000 1.716 134 M HN 0.370 nan 8.290 nan 0.000 0.482 135 G N 2.150 110.985 108.800 0.058 0.000 2.699 135 G HA2 -0.081 3.880 3.960 0.001 0.000 0.686 135 G HA3 -0.081 3.880 3.960 0.001 0.000 0.686 135 G C -1.593 173.386 174.900 0.131 0.000 1.301 135 G CA -0.589 44.556 45.100 0.075 0.000 0.816 135 G HN 0.780 nan 8.290 nan 0.000 0.595 136 D N -0.245 120.224 120.400 0.114 0.000 2.357 136 D HA 0.616 5.256 4.640 0.001 0.000 0.242 136 D C 0.596 177.038 176.300 0.236 0.000 1.153 136 D CA 1.044 55.119 54.000 0.125 0.000 0.918 136 D CB 0.718 41.543 40.800 0.041 0.000 1.181 136 D HN 0.715 nan 8.370 nan 0.000 0.435 137 F N -2.162 117.798 119.950 0.017 0.000 2.643 137 F HA 0.539 5.066 4.527 0.000 0.000 0.314 137 F C -0.599 175.220 175.800 0.032 0.000 1.096 137 F CA -1.280 56.734 58.000 0.023 0.000 0.953 137 F CB 1.198 40.209 39.000 0.019 0.000 1.345 137 F HN -0.133 nan 8.300 nan 0.000 0.468 138 K N 2.436 122.891 120.400 0.092 0.000 2.172 138 K HA 0.435 4.756 4.320 0.001 0.000 0.276 138 K C -0.819 175.802 176.600 0.036 0.000 1.013 138 K CA -0.799 55.489 56.287 0.002 0.000 0.913 138 K CB 1.371 33.912 32.500 0.068 0.000 1.055 138 K HN 0.583 nan 8.250 nan 0.000 0.461 139 M N 4.670 124.251 119.600 -0.031 0.000 2.063 139 M HA 0.281 4.762 4.480 0.001 0.000 0.348 139 M C -0.312 176.087 176.300 0.165 0.000 1.180 139 M CA -0.644 54.703 55.300 0.078 0.000 1.059 139 M CB 0.457 33.071 32.600 0.024 0.000 1.544 139 M HN 0.329 nan 8.290 nan 0.000 0.447 140 I N 2.363 123.021 120.570 0.146 0.000 2.396 140 I HA 0.141 4.312 4.170 0.001 0.000 0.292 140 I C 0.517 176.632 176.117 -0.003 0.000 0.999 140 I CA -0.464 60.892 61.300 0.093 0.000 1.310 140 I CB 0.777 38.812 38.000 0.059 0.000 1.404 140 I HN 0.488 nan 8.210 nan 0.000 0.496 141 D N 4.736 125.065 120.400 -0.119 0.000 2.344 141 D HA 0.015 4.656 4.640 0.001 0.000 0.253 141 D C 1.463 177.643 176.300 -0.200 0.000 1.255 141 D CA 0.006 53.742 54.000 -0.441 0.000 0.894 141 D CB 0.998 41.605 40.800 -0.322 0.000 1.067 141 D HN 0.710 nan 8.370 nan 0.000 0.492 142 T N 1.512 115.963 114.554 -0.172 0.000 2.759 142 T HA -0.276 4.075 4.350 0.001 0.000 0.269 142 T C 2.021 176.679 174.700 -0.070 0.000 1.042 142 T CA 1.014 63.065 62.100 -0.082 0.000 1.140 142 T CB -0.231 68.607 68.868 -0.050 0.000 0.864 142 T HN 0.492 nan 8.240 nan 0.000 0.455 143 M N 0.380 119.935 119.600 -0.075 0.000 2.065 143 M HA -0.071 4.409 4.480 0.001 0.000 0.259 143 M C 1.901 178.170 176.300 -0.051 0.000 1.069 143 M CA 1.901 57.175 55.300 -0.043 0.000 1.110 143 M CB -0.233 32.363 32.600 -0.008 0.000 1.328 143 M HN 0.187 nan 8.290 nan 0.000 0.405 144 I N 0.284 120.825 120.570 -0.048 0.000 2.286 144 I HA -0.200 3.971 4.170 0.001 0.000 0.245 144 I C 2.320 178.403 176.117 -0.057 0.000 1.104 144 I CA 1.309 62.591 61.300 -0.029 0.000 1.397 144 I CB -1.559 36.460 38.000 0.033 0.000 1.072 144 I HN 0.303 nan 8.210 nan 0.000 0.417 145 K N 1.615 121.985 120.400 -0.051 0.000 1.984 145 K HA -0.139 4.181 4.320 0.001 0.000 0.209 145 K C 1.498 178.055 176.600 -0.071 0.000 1.046 145 K CA 1.732 57.987 56.287 -0.054 0.000 0.934 145 K CB -0.180 32.295 32.500 -0.041 0.000 0.717 145 K HN 0.171 nan 8.250 nan 0.000 0.438 146 D N -1.510 118.853 120.400 -0.063 0.000 2.348 146 D HA 0.076 4.716 4.640 0.001 0.000 0.211 146 D C 1.349 177.614 176.300 -0.058 0.000 0.998 146 D CA 0.985 54.949 54.000 -0.061 0.000 0.873 146 D CB 0.730 41.502 40.800 -0.046 0.000 0.925 146 D HN 0.470 nan 8.370 nan 0.000 0.524 147 G N -0.235 108.527 108.800 -0.063 0.000 2.780 147 G HA2 0.125 4.086 3.960 0.001 0.000 0.198 147 G HA3 0.125 4.086 3.960 0.001 0.000 0.198 147 G C 1.342 176.202 174.900 -0.068 0.000 1.067 147 G CA -0.090 44.977 45.100 -0.055 0.000 0.765 147 G HN 0.159 nan 8.290 nan 0.000 0.581 148 L N 0.793 121.940 121.223 -0.127 0.000 2.781 148 L HA 0.306 4.646 4.340 0.001 0.000 0.245 148 L C 0.173 176.805 176.870 -0.396 0.000 1.118 148 L CA 0.241 54.924 54.840 -0.261 0.000 0.918 148 L CB 1.170 43.015 42.059 -0.357 0.000 1.246 148 L HN -0.054 nan 8.230 nan 0.000 0.526 149 T N -0.253 114.164 114.554 -0.228 0.000 2.794 149 T HA 0.184 4.534 4.350 0.001 0.000 0.280 149 T C -0.647 173.991 174.700 -0.104 0.000 0.987 149 T CA -0.396 61.616 62.100 -0.148 0.000 0.993 149 T CB 2.076 70.893 68.868 -0.084 0.000 0.939 149 T HN -0.046 nan 8.240 nan 0.000 0.449 150 D N 1.601 121.965 120.400 -0.059 0.000 2.390 150 D HA 0.377 5.017 4.640 0.001 0.000 0.249 150 D C 1.128 177.292 176.300 -0.227 0.000 1.144 150 D CA -0.200 53.752 54.000 -0.080 0.000 0.880 150 D CB 0.773 41.593 40.800 0.034 0.000 1.182 150 D HN 0.523 nan 8.370 nan 0.000 0.451 151 A N 3.232 125.786 122.820 -0.444 0.000 2.015 151 A HA -0.080 4.240 4.320 0.001 0.000 0.219 151 A C 1.420 178.620 177.584 -0.639 0.000 1.163 151 A CA 0.963 52.631 52.037 -0.616 0.000 0.646 151 A CB -0.526 17.959 19.000 -0.858 0.000 0.806 151 A HN 0.645 nan 8.150 nan 0.000 0.448 152 F N -2.334 117.483 119.950 -0.222 0.000 2.164 152 F HA 0.094 4.621 4.527 0.001 0.000 0.287 152 F C 1.879 177.355 175.800 -0.540 0.000 1.086 152 F CA 0.800 58.553 58.000 -0.411 0.000 1.249 152 F CB -0.844 37.828 39.000 -0.546 0.000 1.059 152 F HN 0.175 nan 8.300 nan 0.000 0.490 153 Y N -0.037 120.172 120.300 -0.152 0.000 2.482 153 Y HA 0.356 4.906 4.550 0.001 0.000 0.270 153 Y C 1.977 177.532 175.900 -0.575 0.000 1.152 153 Y CA 0.161 57.996 58.100 -0.442 0.000 1.292 153 Y CB -0.297 37.702 38.460 -0.769 0.000 1.070 153 Y HN 0.264 nan 8.280 nan 0.000 0.528 154 G N -0.227 108.389 108.800 -0.306 0.000 2.162 154 G HA2 -0.339 3.622 3.960 0.001 0.000 0.260 154 G HA3 -0.339 3.622 3.960 0.001 0.000 0.260 154 G C -0.147 174.725 174.900 -0.047 0.000 0.976 154 G CA 0.520 45.528 45.100 -0.155 0.000 0.655 154 G HN 0.445 nan 8.290 nan 0.000 0.533 155 Y N -1.363 118.998 120.300 0.102 0.000 2.534 155 Y HA 0.819 5.369 4.550 0.001 0.000 0.329 155 Y C 0.538 176.486 175.900 0.080 0.000 1.154 155 Y CA -2.738 55.421 58.100 0.098 0.000 1.192 155 Y CB 0.265 38.776 38.460 0.086 0.000 1.275 155 Y HN 0.287 nan 8.280 nan 0.000 0.491 156 H N 1.311 120.537 119.070 0.261 0.000 2.757 156 H HA 0.082 4.638 4.556 0.001 0.000 0.370 156 H C 1.217 176.548 175.328 0.005 0.000 1.172 156 H CA 0.008 56.131 56.048 0.126 0.000 1.426 156 H CB 0.787 30.645 29.762 0.160 0.000 1.438 156 H HN 0.742 nan 8.280 nan 0.000 0.612 157 M N 2.753 122.393 119.600 0.067 0.000 2.195 157 M HA -0.132 4.349 4.480 0.001 0.000 0.260 157 M C 2.354 178.436 176.300 -0.364 0.000 1.066 157 M CA 1.543 56.882 55.300 0.066 0.000 1.089 157 M CB -1.343 31.425 32.600 0.281 0.000 1.377 157 M HN 0.890 nan 8.290 nan 0.000 0.411 158 G N -0.593 107.772 108.800 -0.725 0.000 2.448 158 G HA2 -0.188 3.772 3.960 0.001 0.000 0.219 158 G HA3 -0.188 3.772 3.960 0.001 0.000 0.219 158 G C 1.522 175.730 174.900 -1.155 0.000 1.127 158 G CA 1.419 45.435 45.100 -1.808 0.000 0.766 158 G HN 0.427 nan 8.290 nan 0.000 0.552 159 T N 0.858 114.972 114.554 -0.733 0.000 2.867 159 T HA -0.123 4.227 4.350 0.001 0.000 0.268 159 T C 2.807 177.170 174.700 -0.562 0.000 1.057 159 T CA 1.926 63.676 62.100 -0.583 0.000 1.136 159 T CB -0.424 67.998 68.868 -0.744 0.000 0.874 159 T HN 0.586 nan 8.240 nan 0.000 0.466 160 T N 0.695 114.996 114.554 -0.421 0.000 2.904 160 T HA 0.122 4.472 4.350 0.001 0.000 0.267 160 T C 2.250 176.753 174.700 -0.328 0.000 1.059 160 T CA 0.961 62.908 62.100 -0.256 0.000 1.137 160 T CB -0.446 68.389 68.868 -0.054 0.000 0.879 160 T HN 0.292 nan 8.240 nan 0.000 0.467 161 A N 1.835 124.301 122.820 -0.591 0.000 1.933 161 A HA -0.077 4.243 4.320 0.001 0.000 0.218 161 A C 2.459 179.841 177.584 -0.335 0.000 1.175 161 A CA 1.407 53.087 52.037 -0.595 0.000 0.628 161 A CB -0.548 17.718 19.000 -1.223 0.000 0.814 161 A HN 0.469 nan 8.150 nan 0.000 0.444 162 E N 0.498 120.499 120.200 -0.331 0.000 2.110 162 E HA -0.154 4.197 4.350 0.001 0.000 0.193 162 E C 1.626 178.135 176.600 -0.153 0.000 0.988 162 E CA 1.025 57.306 56.400 -0.199 0.000 0.804 162 E CB -0.401 29.183 29.700 -0.195 0.000 0.745 162 E HN 0.585 nan 8.360 nan 0.000 0.458 163 N N 0.435 119.025 118.700 -0.184 0.000 2.166 163 N HA -0.108 4.632 4.740 0.001 0.000 0.186 163 N C 1.995 177.483 175.510 -0.037 0.000 1.019 163 N CA 0.731 53.708 53.050 -0.121 0.000 0.856 163 N CB -0.226 38.178 38.487 -0.138 0.000 0.993 163 N HN 0.027 nan 8.380 nan 0.000 0.426 164 V N 1.358 121.258 119.914 -0.024 0.000 2.379 164 V HA -0.079 4.041 4.120 0.001 0.000 0.245 164 V C 2.444 178.615 176.094 0.129 0.000 1.044 164 V CA 1.532 63.889 62.300 0.096 0.000 1.036 164 V CB -0.940 30.893 31.823 0.015 0.000 0.664 164 V HN 0.243 nan 8.190 nan 0.000 0.453 165 A N 0.163 122.995 122.820 0.019 0.000 1.908 165 A HA -0.262 4.059 4.320 0.001 0.000 0.218 165 A C 2.287 179.902 177.584 0.051 0.000 1.181 165 A CA 2.179 54.233 52.037 0.029 0.000 0.627 165 A CB -0.415 18.574 19.000 -0.018 0.000 0.818 165 A HN 0.560 nan 8.150 nan 0.000 0.445 166 K N -1.006 119.402 120.400 0.014 0.000 2.103 166 K HA -0.097 4.224 4.320 0.001 0.000 0.204 166 K C 2.383 178.982 176.600 -0.001 0.000 1.052 166 K CA 1.269 57.555 56.287 -0.001 0.000 0.945 166 K CB -0.126 32.355 32.500 -0.032 0.000 0.722 166 K HN 0.630 nan 8.250 nan 0.000 0.443 167 Q N -0.394 119.413 119.800 0.011 0.000 2.046 167 Q HA -0.142 4.198 4.340 0.001 0.000 0.200 167 Q C 0.821 176.749 176.000 -0.120 0.000 0.975 167 Q CA 1.380 57.148 55.803 -0.059 0.000 0.836 167 Q CB 0.090 28.802 28.738 -0.043 0.000 0.896 167 Q HN 0.383 nan 8.270 nan 0.000 0.428 168 W N 1.371 122.640 121.300 -0.052 0.000 3.388 168 W HA 0.178 4.838 4.660 0.001 0.000 0.324 168 W C -0.229 176.266 176.519 -0.040 0.000 1.250 168 W CA -0.117 57.200 57.345 -0.047 0.000 1.809 168 W CB 0.279 29.708 29.460 -0.052 0.000 1.083 168 W HN 0.184 nan 8.180 nan 0.000 0.685 169 Q N 0.645 120.511 119.800 0.111 0.000 2.417 169 Q HA -0.224 4.117 4.340 0.001 0.000 0.350 169 Q C -0.500 175.549 176.000 0.082 0.000 1.364 169 Q CA 0.533 56.374 55.803 0.064 0.000 1.024 169 Q CB -2.011 26.743 28.738 0.026 0.000 1.235 169 Q HN 0.381 nan 8.270 nan 0.000 0.388 170 L N 1.366 122.641 121.223 0.087 0.000 2.255 170 L HA 0.237 4.577 4.340 0.001 0.000 0.289 170 L C 0.978 177.871 176.870 0.037 0.000 1.046 170 L CA -0.454 54.422 54.840 0.059 0.000 0.816 170 L CB 1.043 43.124 42.059 0.036 0.000 1.197 170 L HN 0.246 nan 8.230 nan 0.000 0.427 171 S N 1.786 117.508 115.700 0.036 0.000 2.589 171 S HA 0.124 4.595 4.470 0.001 0.000 0.265 171 S C 1.058 175.678 174.600 0.033 0.000 1.342 171 S CA -0.643 57.575 58.200 0.031 0.000 1.005 171 S CB 1.330 64.548 63.200 0.030 0.000 0.909 171 S HN 0.673 nan 8.310 nan 0.000 0.555 172 R N 0.987 121.506 120.500 0.031 0.000 2.105 172 R HA -0.121 4.220 4.340 0.001 0.000 0.239 172 R C 1.155 177.481 176.300 0.044 0.000 1.135 172 R CA 2.227 58.349 56.100 0.037 0.000 0.967 172 R CB -1.152 29.166 30.300 0.030 0.000 0.861 172 R HN 0.788 nan 8.270 nan 0.000 0.442 173 D N -0.030 120.394 120.400 0.039 0.000 2.117 173 D HA -0.159 4.481 4.640 0.001 0.000 0.198 173 D C 1.641 177.975 176.300 0.056 0.000 0.982 173 D CA 1.433 55.459 54.000 0.043 0.000 0.828 173 D CB -0.285 40.536 40.800 0.035 0.000 0.967 173 D HN 0.496 nan 8.370 nan 0.000 0.464 174 E N 0.330 120.563 120.200 0.056 0.000 2.110 174 E HA -0.189 4.161 4.350 0.001 0.000 0.193 174 E C 1.882 178.538 176.600 0.094 0.000 0.988 174 E CA 0.813 57.255 56.400 0.070 0.000 0.804 174 E CB 0.130 29.861 29.700 0.053 0.000 0.745 174 E HN 0.323 nan 8.360 nan 0.000 0.458 175 Q N 0.041 119.886 119.800 0.076 0.000 2.119 175 Q HA -0.147 4.193 4.340 0.001 0.000 0.201 175 Q C 1.683 177.771 176.000 0.146 0.000 0.972 175 Q CA 1.350 57.210 55.803 0.094 0.000 0.847 175 Q CB 0.100 28.879 28.738 0.069 0.000 0.903 175 Q HN 0.266 nan 8.270 nan 0.000 0.433 176 D N 0.571 121.036 120.400 0.108 0.000 2.117 176 D HA -0.096 4.545 4.640 0.001 0.000 0.198 176 D C 1.780 178.138 176.300 0.097 0.000 0.982 176 D CA 1.268 55.325 54.000 0.095 0.000 0.828 176 D CB -0.238 40.599 40.800 0.062 0.000 0.967 176 D HN 0.228 nan 8.370 nan 0.000 0.464 177 A N 0.385 123.264 122.820 0.099 0.000 1.908 177 A HA -0.195 4.126 4.320 0.001 0.000 0.218 177 A C 2.136 179.782 177.584 0.104 0.000 1.181 177 A CA 1.147 53.234 52.037 0.084 0.000 0.627 177 A CB -1.092 17.957 19.000 0.081 0.000 0.818 177 A HN 0.275 nan 8.150 nan 0.000 0.445 178 F N 0.871 120.833 119.950 0.019 0.000 2.134 178 F HA -0.071 4.456 4.527 0.001 0.000 0.299 178 F C 2.512 178.322 175.800 0.017 0.000 1.097 178 F CA 1.173 59.185 58.000 0.020 0.000 1.264 178 F CB -0.340 38.675 39.000 0.025 0.000 1.001 178 F HN 0.262 nan 8.300 nan 0.000 0.479 179 A N -0.176 122.769 122.820 0.209 0.000 1.865 179 A HA -0.165 4.156 4.320 0.001 0.000 0.217 179 A C 2.302 179.871 177.584 -0.024 0.000 1.191 179 A CA 2.140 54.241 52.037 0.106 0.000 0.623 179 A CB -1.409 17.664 19.000 0.121 0.000 0.826 179 A HN 0.257 nan 8.150 nan 0.000 0.444 180 V N -0.200 119.703 119.914 -0.018 0.000 2.407 180 V HA -0.221 3.900 4.120 0.001 0.000 0.248 180 V C 3.034 179.073 176.094 -0.091 0.000 1.055 180 V CA 1.839 64.111 62.300 -0.045 0.000 1.049 180 V CB -1.141 30.669 31.823 -0.021 0.000 0.662 180 V HN 0.629 nan 8.190 nan 0.000 0.455 181 A N -0.762 121.981 122.820 -0.129 0.000 1.933 181 A HA -0.237 4.084 4.320 0.001 0.000 0.218 181 A C 2.556 180.001 177.584 -0.233 0.000 1.175 181 A CA 2.183 54.112 52.037 -0.179 0.000 0.628 181 A CB -0.726 18.143 19.000 -0.217 0.000 0.814 181 A HN 0.489 nan 8.150 nan 0.000 0.444 182 S N -1.031 114.482 115.700 -0.312 0.000 2.368 182 S HA -0.189 4.282 4.470 0.001 0.000 0.225 182 S C 2.174 176.695 174.600 -0.132 0.000 1.030 182 S CA 1.559 59.608 58.200 -0.251 0.000 0.999 182 S CB -0.351 62.702 63.200 -0.244 0.000 0.844 182 S HN 0.598 nan 8.310 nan 0.000 0.459 183 Q N 1.089 120.819 119.800 -0.118 0.000 2.119 183 Q HA -0.012 4.329 4.340 0.001 0.000 0.201 183 Q C 1.966 177.902 176.000 -0.107 0.000 0.972 183 Q CA 1.306 57.046 55.803 -0.106 0.000 0.847 183 Q CB -0.746 27.931 28.738 -0.101 0.000 0.903 183 Q HN 0.716 nan 8.270 nan 0.000 0.433 184 N N 0.507 119.147 118.700 -0.100 0.000 2.171 184 N HA -0.100 4.640 4.740 0.001 0.000 0.184 184 N C 1.748 177.206 175.510 -0.087 0.000 1.021 184 N CA 0.616 53.611 53.050 -0.091 0.000 0.854 184 N CB 0.049 38.490 38.487 -0.076 0.000 0.994 184 N HN 0.162 nan 8.380 nan 0.000 0.426 185 K N 0.934 121.281 120.400 -0.088 0.000 2.057 185 K HA -0.055 4.266 4.320 0.001 0.000 0.207 185 K C 2.124 178.695 176.600 -0.049 0.000 1.049 185 K CA 1.177 57.417 56.287 -0.077 0.000 0.931 185 K CB -0.079 32.370 32.500 -0.085 0.000 0.714 185 K HN 0.141 nan 8.250 nan 0.000 0.440 186 A N 1.257 124.072 122.820 -0.009 0.000 1.968 186 A HA -0.183 4.137 4.320 0.001 0.000 0.217 186 A C 2.012 179.644 177.584 0.079 0.000 1.169 186 A CA 1.350 53.456 52.037 0.115 0.000 0.638 186 A CB -0.311 18.745 19.000 0.093 0.000 0.812 186 A HN 0.386 nan 8.150 nan 0.000 0.446 187 E N 0.061 120.212 120.200 -0.082 0.000 2.072 187 E HA -0.095 4.256 4.350 0.001 0.000 0.191 187 E C 2.125 178.667 176.600 -0.097 0.000 0.985 187 E CA 0.927 57.216 56.400 -0.186 0.000 0.801 187 E CB -0.237 29.290 29.700 -0.290 0.000 0.750 187 E HN 0.522 nan 8.360 nan 0.000 0.452 188 A N 1.500 124.268 122.820 -0.088 0.000 1.845 188 A HA -0.129 4.192 4.320 0.001 0.000 0.215 188 A C 2.461 179.967 177.584 -0.130 0.000 1.195 188 A CA 2.026 54.009 52.037 -0.090 0.000 0.616 188 A CB -1.038 17.909 19.000 -0.088 0.000 0.832 188 A HN 0.413 nan 8.150 nan 0.000 0.443 189 A N -1.104 121.594 122.820 -0.203 0.000 2.024 189 A HA -0.202 4.119 4.320 0.001 0.000 0.220 189 A C 2.152 179.446 177.584 -0.483 0.000 1.164 189 A CA 1.878 53.649 52.037 -0.444 0.000 0.643 189 A CB -0.499 18.058 19.000 -0.740 0.000 0.806 189 A HN 0.727 nan 8.150 nan 0.000 0.451 190 Q N -0.257 119.469 119.800 -0.124 0.000 1.994 190 Q HA -0.132 4.209 4.340 0.001 0.000 0.198 190 Q C 1.981 178.010 176.000 0.049 0.000 0.976 190 Q CA 1.419 57.306 55.803 0.140 0.000 0.828 190 Q CB -0.153 28.740 28.738 0.258 0.000 0.894 190 Q HN 0.608 nan 8.270 nan 0.000 0.432 191 K N 0.381 120.796 120.400 0.024 0.000 2.074 191 K HA -0.168 4.153 4.320 0.001 0.000 0.209 191 K C 1.351 177.943 176.600 -0.012 0.000 1.048 191 K CA 1.522 57.822 56.287 0.023 0.000 0.926 191 K CB -0.088 32.422 32.500 0.017 0.000 0.713 191 K HN 0.315 nan 8.250 nan 0.000 0.444 192 D N -0.648 119.719 120.400 -0.055 0.000 2.363 192 D HA 0.008 4.649 4.640 0.001 0.000 0.226 192 D C 1.027 177.282 176.300 -0.075 0.000 1.020 192 D CA 0.843 54.802 54.000 -0.068 0.000 0.892 192 D CB 0.186 40.929 40.800 -0.095 0.000 0.900 192 D HN 0.448 nan 8.370 nan 0.000 0.531 193 G N 1.169 109.930 108.800 -0.066 0.000 2.162 193 G HA2 -0.402 3.558 3.960 0.001 0.000 0.260 193 G HA3 -0.402 3.558 3.960 0.001 0.000 0.260 193 G C 1.181 176.023 174.900 -0.097 0.000 0.976 193 G CA 0.126 45.197 45.100 -0.049 0.000 0.655 193 G HN 0.359 nan 8.290 nan 0.000 0.533 194 R N -1.022 119.349 120.500 -0.214 0.000 2.316 194 R HA 0.135 4.475 4.340 0.001 0.000 0.202 194 R C 1.347 177.460 176.300 -0.311 0.000 1.029 194 R CA 0.889 56.818 56.100 -0.286 0.000 1.018 194 R CB -0.199 29.872 30.300 -0.382 0.000 0.888 194 R HN 0.449 nan 8.270 nan 0.000 0.471 195 F N 0.209 120.129 119.950 -0.051 0.000 2.727 195 F HA 0.156 4.683 4.527 0.001 0.000 0.302 195 F C 2.062 177.796 175.800 -0.110 0.000 1.097 195 F CA -0.072 57.885 58.000 -0.071 0.000 1.330 195 F CB -0.045 38.932 39.000 -0.037 0.000 1.084 195 F HN -0.156 nan 8.300 nan 0.000 0.578 196 K N 0.686 121.107 120.400 0.035 0.000 2.025 196 K HA -0.161 4.160 4.320 0.001 0.000 0.207 196 K C 1.519 178.051 176.600 -0.114 0.000 1.049 196 K CA 1.853 58.130 56.287 -0.016 0.000 0.933 196 K CB -0.079 32.412 32.500 -0.016 0.000 0.714 196 K HN 0.010 nan 8.250 nan 0.000 0.438 197 D N 0.904 121.182 120.400 -0.203 0.000 2.103 197 D HA -0.235 4.406 4.640 0.001 0.000 0.190 197 D C 1.900 177.768 176.300 -0.720 0.000 0.997 197 D CA 1.917 55.677 54.000 -0.399 0.000 0.833 197 D CB -0.355 40.186 40.800 -0.431 0.000 0.961 197 D HN 0.557 nan 8.370 nan 0.000 0.447 198 E N 0.673 120.323 120.200 -0.917 0.000 2.106 198 E HA -0.131 4.219 4.350 0.001 0.000 0.192 198 E C 0.897 177.347 176.600 -0.251 0.000 0.984 198 E CA 0.453 56.384 56.400 -0.781 0.000 0.806 198 E CB -0.225 29.251 29.700 -0.373 0.000 0.750 198 E HN 0.264 nan 8.360 nan 0.000 0.458 199 I N 2.792 123.279 120.570 -0.138 0.000 2.517 199 I HA 0.019 4.190 4.170 0.001 0.000 0.285 199 I C -0.141 175.962 176.117 -0.024 0.000 1.106 199 I CA -0.333 60.942 61.300 -0.042 0.000 1.402 199 I CB 1.380 39.381 38.000 0.002 0.000 1.399 199 I HN 0.002 nan 8.210 nan 0.000 0.535 200 V N 9.912 129.832 119.914 0.010 0.000 2.407 200 V HA 0.376 4.497 4.120 0.001 0.000 0.278 200 V C -2.047 174.093 176.094 0.077 0.000 1.037 200 V CA -1.998 60.323 62.300 0.034 0.000 0.900 200 V CB 1.573 33.422 31.823 0.042 0.000 0.983 200 V HN 0.529 nan 8.190 nan 0.000 0.459 201 P HA 0.109 nan 4.420 nan 0.000 0.266 201 P C -1.268 176.129 177.300 0.162 0.000 1.195 201 P CA 0.291 63.456 63.100 0.108 0.000 0.768 201 P CB 0.166 31.901 31.700 0.059 0.000 0.838 202 F N 3.799 123.781 119.950 0.053 0.000 2.449 202 F HA 0.394 4.922 4.527 0.001 0.000 0.342 202 F C -0.529 175.307 175.800 0.059 0.000 1.127 202 F CA -1.118 56.897 58.000 0.026 0.000 0.975 202 F CB 0.755 39.741 39.000 -0.023 0.000 1.146 202 F HN 0.071 nan 8.300 nan 0.000 0.444 203 I N 7.628 127.861 120.570 -0.562 0.000 2.322 203 I HA 0.130 4.300 4.170 0.001 0.000 0.292 203 I C -0.152 175.657 176.117 -0.513 0.000 1.060 203 I CA -0.485 60.587 61.300 -0.380 0.000 1.309 203 I CB 0.567 38.396 38.000 -0.285 0.000 1.415 203 I HN 0.224 nan 8.210 nan 0.000 0.492 204 V N 7.972 127.824 119.914 -0.105 0.000 2.397 204 V HA 0.057 4.177 4.120 0.001 0.000 0.262 204 V C 0.893 176.977 176.094 -0.016 0.000 1.047 204 V CA -0.679 61.657 62.300 0.060 0.000 1.003 204 V CB -0.100 31.869 31.823 0.243 0.000 1.037 204 V HN 0.515 nan 8.190 nan 0.000 0.480 205 K N 5.021 125.392 120.400 -0.048 0.000 2.336 205 K HA 0.269 4.589 4.320 0.001 0.000 0.290 205 K C 0.610 177.210 176.600 -0.001 0.000 1.067 205 K CA 0.187 56.450 56.287 -0.040 0.000 0.962 205 K CB 0.965 33.436 32.500 -0.048 0.000 1.008 205 K HN 0.800 nan 8.250 nan 0.000 0.467 206 G N 2.150 110.949 108.800 -0.002 0.000 2.736 206 G HA2 0.293 4.254 3.960 0.001 0.000 0.229 206 G HA3 0.293 4.254 3.960 0.001 0.000 0.229 206 G C 0.711 175.611 174.900 0.001 0.000 1.380 206 G CA -0.315 44.788 45.100 0.006 0.000 1.040 206 G HN 0.482 nan 8.290 nan 0.000 0.568 207 R N -0.957 119.544 120.500 0.001 0.000 2.342 207 R HA 0.222 4.563 4.340 0.001 0.000 0.179 207 R C 0.575 176.873 176.300 -0.002 0.000 0.989 207 R CA 0.168 56.267 56.100 -0.001 0.000 1.125 207 R CB 0.008 30.309 30.300 0.001 0.000 1.211 207 R HN 0.333 nan 8.270 nan 0.000 0.568 208 K N 1.807 122.206 120.400 -0.002 0.000 3.141 208 K HA 0.376 4.696 4.320 0.001 0.000 0.248 208 K C -0.500 176.098 176.600 -0.004 0.000 1.282 208 K CA 0.278 56.563 56.287 -0.003 0.000 1.251 208 K CB 0.789 33.287 32.500 -0.003 0.000 1.533 208 K HN 0.560 nan 8.250 nan 0.000 0.409 209 G N 1.534 110.331 108.800 -0.005 0.000 2.931 209 G HA2 -0.115 3.846 3.960 0.001 0.000 0.675 209 G HA3 -0.115 3.846 3.960 0.001 0.000 0.675 209 G C -1.351 173.545 174.900 -0.005 0.000 1.339 209 G CA -1.124 43.972 45.100 -0.006 0.000 0.866 209 G HN 0.176 nan 8.290 nan 0.000 0.616 210 D N 0.247 120.640 120.400 -0.011 0.000 2.354 210 D HA 0.670 5.310 4.640 0.001 0.000 0.247 210 D C 0.696 176.993 176.300 -0.005 0.000 1.138 210 D CA 0.228 54.220 54.000 -0.014 0.000 0.958 210 D CB 1.479 42.260 40.800 -0.031 0.000 1.144 210 D HN 0.463 nan 8.370 nan 0.000 0.458 211 I N 0.630 121.203 120.570 0.005 0.000 2.512 211 I HA 0.089 4.260 4.170 0.001 0.000 0.287 211 I C -0.308 175.830 176.117 0.037 0.000 1.069 211 I CA -0.521 60.791 61.300 0.021 0.000 1.056 211 I CB 2.099 40.120 38.000 0.035 0.000 1.229 211 I HN -0.013 nan 8.210 nan 0.000 0.429 212 T N 5.742 120.313 114.554 0.029 0.000 2.729 212 T HA 0.314 4.665 4.350 0.001 0.000 0.296 212 T C -0.037 174.711 174.700 0.080 0.000 0.928 212 T CA -0.266 61.862 62.100 0.047 0.000 1.045 212 T CB 0.798 69.680 68.868 0.024 0.000 0.902 212 T HN 0.183 nan 8.240 nan 0.000 0.500 213 V N 5.295 125.303 119.914 0.157 0.000 2.328 213 V HA 0.338 4.458 4.120 0.001 0.000 0.278 213 V C 0.446 176.643 176.094 0.172 0.000 1.021 213 V CA -0.673 61.721 62.300 0.157 0.000 0.838 213 V CB 1.171 33.120 31.823 0.209 0.000 0.999 213 V HN 0.986 nan 8.190 nan 0.000 0.447 214 D N 3.022 123.482 120.400 0.099 0.000 2.582 214 D HA 0.328 4.968 4.640 0.001 0.000 0.246 214 D C 0.017 176.354 176.300 0.062 0.000 1.334 214 D CA 0.048 54.099 54.000 0.086 0.000 0.805 214 D CB 1.158 41.998 40.800 0.066 0.000 1.087 214 D HN 0.511 nan 8.370 nan 0.000 0.499 215 A N 0.410 123.258 122.820 0.048 0.000 2.359 215 A HA 0.438 4.759 4.320 0.001 0.000 0.303 215 A C -0.737 176.850 177.584 0.006 0.000 1.066 215 A CA -0.751 51.309 52.037 0.039 0.000 0.730 215 A CB 1.168 20.198 19.000 0.049 0.000 1.211 215 A HN 0.000 nan 8.150 nan 0.000 0.439 216 D N 2.630 123.015 120.400 -0.026 0.000 2.389 216 D HA 0.035 4.675 4.640 0.001 0.000 0.263 216 D C 1.000 177.306 176.300 0.011 0.000 1.255 216 D CA 0.597 54.567 54.000 -0.051 0.000 0.914 216 D CB 0.915 41.615 40.800 -0.166 0.000 1.116 216 D HN 0.790 nan 8.370 nan 0.000 0.502 217 E N 1.670 121.874 120.200 0.007 0.000 2.479 217 E HA -0.136 4.214 4.350 0.001 0.000 0.193 217 E C 1.020 177.685 176.600 0.109 0.000 1.049 217 E CA 0.015 56.434 56.400 0.031 0.000 0.870 217 E CB -0.001 29.677 29.700 -0.038 0.000 0.944 217 E HN 0.448 nan 8.360 nan 0.000 0.492 218 Y N 1.561 121.847 120.300 -0.024 0.000 2.510 218 Y HA 0.288 4.838 4.550 0.001 0.000 0.273 218 Y C 0.480 176.386 175.900 0.011 0.000 1.119 218 Y CA -0.822 57.275 58.100 -0.005 0.000 1.286 218 Y CB 0.391 38.845 38.460 -0.010 0.000 1.061 218 Y HN -0.086 nan 8.280 nan 0.000 0.542 219 I N 3.637 124.196 120.570 -0.018 0.000 2.662 219 I HA -0.031 4.139 4.170 0.001 0.000 0.285 219 I C 0.226 176.313 176.117 -0.051 0.000 1.161 219 I CA 0.431 61.677 61.300 -0.090 0.000 1.415 219 I CB 0.207 38.174 38.000 -0.056 0.000 1.385 219 I HN -0.006 nan 8.210 nan 0.000 0.552 220 R N 5.274 125.695 120.500 -0.130 0.000 2.441 220 R HA 0.324 4.665 4.340 0.001 0.000 0.284 220 R C -0.756 175.528 176.300 -0.027 0.000 1.070 220 R CA -0.700 55.380 56.100 -0.032 0.000 1.047 220 R CB 0.615 30.858 30.300 -0.095 0.000 1.016 220 R HN 0.472 nan 8.270 nan 0.000 0.477 221 H N -0.230 118.810 119.070 -0.049 0.000 2.488 221 H HA 0.244 4.801 4.556 0.001 0.000 0.322 221 H C 0.911 176.221 175.328 -0.030 0.000 1.078 221 H CA 0.418 56.447 56.048 -0.031 0.000 1.260 221 H CB 1.746 31.495 29.762 -0.021 0.000 1.425 221 H HN 0.932 nan 8.280 nan 0.000 0.471 222 G N 2.131 110.953 108.800 0.037 0.000 2.246 222 G HA2 -0.182 3.779 3.960 0.001 0.000 0.273 222 G HA3 -0.182 3.779 3.960 0.001 0.000 0.273 222 G C 0.316 175.215 174.900 -0.002 0.000 1.055 222 G CA 0.006 45.115 45.100 0.016 0.000 0.851 222 G HN 0.901 nan 8.290 nan 0.000 0.500 223 A N 0.584 123.391 122.820 -0.023 0.000 2.491 223 A HA 0.642 4.963 4.320 0.001 0.000 0.261 223 A C 1.115 178.685 177.584 -0.022 0.000 1.101 223 A CA 1.139 53.159 52.037 -0.028 0.000 0.772 223 A CB 0.107 19.077 19.000 -0.050 0.000 1.043 223 A HN 1.805 nan 8.150 nan 0.000 0.501 224 T N 0.511 115.057 114.554 -0.013 0.000 2.912 224 T HA 0.435 4.785 4.350 0.001 0.000 0.280 224 T C 0.885 175.582 174.700 -0.005 0.000 0.989 224 T CA -0.508 61.587 62.100 -0.008 0.000 0.995 224 T CB 0.843 69.709 68.868 -0.004 0.000 1.077 224 T HN 0.450 nan 8.240 nan 0.000 0.531 225 L N 0.312 121.535 121.223 -0.000 0.000 2.240 225 L HA 0.162 4.502 4.340 0.001 0.000 0.211 225 L C 1.716 178.591 176.870 0.008 0.000 1.106 225 L CA 1.612 56.456 54.840 0.007 0.000 0.793 225 L CB -0.842 41.222 42.059 0.009 0.000 0.927 225 L HN 0.687 nan 8.230 nan 0.000 0.446 226 D N -0.943 119.460 120.400 0.005 0.000 2.117 226 D HA -0.162 4.479 4.640 0.001 0.000 0.198 226 D C 2.384 178.687 176.300 0.005 0.000 0.982 226 D CA 1.583 55.586 54.000 0.005 0.000 0.828 226 D CB -0.194 40.608 40.800 0.003 0.000 0.967 226 D HN 0.485 nan 8.370 nan 0.000 0.464 227 S N -0.691 115.010 115.700 0.002 0.000 2.481 227 S HA -0.066 4.405 4.470 0.001 0.000 0.231 227 S C 1.826 176.428 174.600 0.004 0.000 0.996 227 S CA 0.401 58.601 58.200 0.001 0.000 0.942 227 S CB -0.073 63.126 63.200 -0.003 0.000 0.768 227 S HN 0.011 nan 8.310 nan 0.000 0.520 228 M N 1.950 121.555 119.600 0.007 0.000 2.288 228 M HA 0.401 4.881 4.480 0.001 0.000 0.266 228 M C 2.084 178.396 176.300 0.020 0.000 1.072 228 M CA 1.146 56.456 55.300 0.016 0.000 1.132 228 M CB -0.621 31.992 32.600 0.021 0.000 1.386 228 M HN 0.447 nan 8.290 nan 0.000 0.432 229 A N -1.228 121.602 122.820 0.016 0.000 2.169 229 A HA -0.003 4.317 4.320 0.001 0.000 0.212 229 A C 1.991 179.582 177.584 0.011 0.000 1.153 229 A CA 0.854 52.901 52.037 0.017 0.000 0.756 229 A CB -0.402 18.608 19.000 0.016 0.000 0.813 229 A HN 0.471 nan 8.150 nan 0.000 0.471 230 K N -0.554 119.851 120.400 0.008 0.000 2.262 230 K HA 0.240 4.560 4.320 0.001 0.000 0.200 230 K C -0.123 176.477 176.600 0.001 0.000 1.049 230 K CA -0.115 56.174 56.287 0.004 0.000 0.979 230 K CB -0.068 32.433 32.500 0.002 0.000 0.773 230 K HN 0.394 nan 8.250 nan 0.000 0.474 231 L N 2.377 123.600 121.223 0.001 0.000 2.525 231 L HA 0.000 4.341 4.340 0.001 0.000 0.278 231 L C 0.405 177.270 176.870 -0.008 0.000 1.218 231 L CA 0.020 54.857 54.840 -0.005 0.000 0.878 231 L CB 0.190 42.248 42.059 -0.002 0.000 1.127 231 L HN 0.046 nan 8.230 nan 0.000 0.492 232 R N 3.249 123.738 120.500 -0.019 0.000 2.615 232 R HA 0.257 4.598 4.340 0.001 0.000 0.270 232 R C -2.220 174.058 176.300 -0.037 0.000 1.081 232 R CA -1.389 54.697 56.100 -0.024 0.000 1.154 232 R CB 0.131 30.414 30.300 -0.028 0.000 1.063 232 R HN 0.349 nan 8.270 nan 0.000 0.519 233 P HA -0.016 nan 4.420 nan 0.000 0.267 233 P C -0.522 176.709 177.300 -0.115 0.000 1.205 233 P CA 0.315 63.395 63.100 -0.034 0.000 0.765 233 P CB 1.059 32.759 31.700 -0.001 0.000 0.828 234 A N 2.383 125.060 122.820 -0.239 0.000 2.016 234 A HA -0.015 4.305 4.320 0.001 0.000 0.217 234 A C 0.999 178.143 177.584 -0.732 0.000 1.162 234 A CA 1.273 52.967 52.037 -0.573 0.000 0.662 234 A CB -0.818 17.646 19.000 -0.893 0.000 0.812 234 A HN 0.491 nan 8.150 nan 0.000 0.450 235 F N -0.882 119.038 119.950 -0.051 0.000 2.515 235 F HA 0.260 4.787 4.527 0.001 0.000 0.267 235 F C 0.478 176.250 175.800 -0.047 0.000 0.923 235 F CA -0.327 57.637 58.000 -0.059 0.000 1.107 235 F CB -0.520 38.430 39.000 -0.084 0.000 1.175 235 F HN -0.011 nan 8.300 nan 0.000 0.742 236 D N 0.824 121.317 120.400 0.156 0.000 2.336 236 D HA 0.167 4.808 4.640 0.001 0.000 0.249 236 D C 0.597 176.914 176.300 0.028 0.000 1.213 236 D CA 0.063 54.096 54.000 0.056 0.000 0.870 236 D CB 1.015 41.824 40.800 0.015 0.000 1.076 236 D HN -0.139 nan 8.370 nan 0.000 0.483 237 K N 2.022 122.431 120.400 0.015 0.000 2.519 237 K HA -0.080 4.241 4.320 0.001 0.000 0.196 237 K C 0.597 177.198 176.600 0.001 0.000 1.041 237 K CA 0.661 56.949 56.287 0.002 0.000 0.954 237 K CB -0.030 32.471 32.500 0.001 0.000 0.774 237 K HN 0.653 nan 8.250 nan 0.000 0.480 238 E N -1.539 118.663 120.200 0.004 0.000 2.995 238 E HA 0.252 4.603 4.350 0.001 0.000 0.203 238 E C 0.497 177.099 176.600 0.002 0.000 0.980 238 E CA -0.471 55.930 56.400 0.002 0.000 1.172 238 E CB 0.497 30.198 29.700 0.000 0.000 1.088 238 E HN 0.067 nan 8.360 nan 0.000 0.463 239 G N -0.031 108.774 108.800 0.008 0.000 2.857 239 G HA2 0.252 4.213 3.960 0.001 0.000 0.217 239 G HA3 0.252 4.213 3.960 0.001 0.000 0.217 239 G C 0.243 175.153 174.900 0.017 0.000 1.357 239 G CA 0.237 45.343 45.100 0.009 0.000 1.033 239 G HN 0.066 nan 8.290 nan 0.000 0.571 240 T N -1.823 112.746 114.554 0.025 0.000 2.980 240 T HA 0.238 4.588 4.350 0.001 0.000 0.252 240 T C 0.407 175.143 174.700 0.060 0.000 0.962 240 T CA 0.059 62.179 62.100 0.033 0.000 0.932 240 T CB 0.104 68.985 68.868 0.021 0.000 1.188 240 T HN 0.171 nan 8.240 nan 0.000 0.500 241 V N 3.521 123.489 119.914 0.090 0.000 2.607 241 V HA 0.590 4.711 4.120 0.001 0.000 0.289 241 V C 0.735 176.941 176.094 0.186 0.000 1.053 241 V CA -0.110 62.290 62.300 0.167 0.000 0.996 241 V CB 1.222 33.158 31.823 0.189 0.000 0.995 241 V HN 0.673 nan 8.190 nan 0.000 0.476 242 T N 1.228 115.885 114.554 0.171 0.000 2.742 242 T HA 0.663 5.013 4.350 0.001 0.000 0.282 242 T C 0.886 175.636 174.700 0.084 0.000 1.025 242 T CA -0.015 62.125 62.100 0.066 0.000 1.020 242 T CB 1.822 70.715 68.868 0.041 0.000 1.317 242 T HN 0.647 nan 8.240 nan 0.000 0.538 243 A N -0.219 122.602 122.820 0.002 0.000 2.066 243 A HA 0.320 4.641 4.320 0.001 0.000 0.218 243 A C 2.191 179.814 177.584 0.066 0.000 1.157 243 A CA 1.557 53.611 52.037 0.029 0.000 0.670 243 A CB -1.441 17.550 19.000 -0.013 0.000 0.804 243 A HN 1.097 nan 8.150 nan 0.000 0.453 244 G N 0.995 109.828 108.800 0.056 0.000 2.394 244 G HA2 -0.187 3.774 3.960 0.001 0.000 0.215 244 G HA3 -0.187 3.774 3.960 0.001 0.000 0.215 244 G C 1.129 176.079 174.900 0.083 0.000 1.165 244 G CA 1.088 46.219 45.100 0.052 0.000 0.784 244 G HN 0.769 nan 8.290 nan 0.000 0.535 245 N N 0.089 118.863 118.700 0.122 0.000 2.236 245 N HA 0.453 5.194 4.740 0.001 0.000 0.196 245 N C 0.573 176.203 175.510 0.200 0.000 1.114 245 N CA 0.398 53.544 53.050 0.161 0.000 0.859 245 N CB 0.392 38.976 38.487 0.162 0.000 0.982 245 N HN 0.342 nan 8.380 nan 0.000 0.493 246 A N -0.376 122.569 122.820 0.208 0.000 2.256 246 A HA 0.662 4.982 4.320 0.001 0.000 0.318 246 A C 0.238 177.825 177.584 0.005 0.000 1.103 246 A CA -0.635 51.488 52.037 0.143 0.000 0.860 246 A CB 0.788 20.008 19.000 0.367 0.000 1.182 246 A HN 0.201 nan 8.150 nan 0.000 0.501 247 S N -1.224 114.348 115.700 -0.214 0.000 2.624 247 S HA 0.555 5.026 4.470 0.001 0.000 0.263 247 S C 0.636 175.243 174.600 0.013 0.000 1.287 247 S CA 0.144 58.291 58.200 -0.088 0.000 0.990 247 S CB 0.579 63.628 63.200 -0.253 0.000 0.950 247 S HN 1.235 nan 8.310 nan 0.000 0.561 248 G N 0.546 109.368 108.800 0.038 0.000 2.613 248 G HA2 0.601 4.561 3.960 0.001 0.000 0.303 248 G HA3 0.601 4.561 3.960 0.001 0.000 0.303 248 G C -1.273 173.515 174.900 -0.187 0.000 1.312 248 G CA -0.862 44.174 45.100 -0.108 0.000 1.036 248 G HN 0.702 nan 8.290 nan 0.000 0.513 249 L N 0.578 121.652 121.223 -0.249 0.000 2.275 249 L HA 0.473 4.814 4.340 0.001 0.000 0.288 249 L C -0.438 176.341 176.870 -0.151 0.000 1.046 249 L CA -0.601 54.106 54.840 -0.221 0.000 0.805 249 L CB 1.323 43.087 42.059 -0.491 0.000 1.193 249 L HN 0.484 nan 8.230 nan 0.000 0.426 250 N N 0.910 119.561 118.700 -0.081 0.000 2.610 250 N HA 0.487 5.227 4.740 0.001 0.000 0.264 250 N C -1.889 173.625 175.510 0.006 0.000 1.348 250 N CA -0.921 52.086 53.050 -0.072 0.000 0.819 250 N CB 1.966 40.345 38.487 -0.180 0.000 1.521 250 N HN 0.416 nan 8.380 nan 0.000 0.497 251 D N -0.226 120.202 120.400 0.047 0.000 2.498 251 D HA 0.734 5.374 4.640 0.001 0.000 0.247 251 D C -0.151 176.210 176.300 0.102 0.000 1.070 251 D CA -0.352 53.696 54.000 0.081 0.000 0.842 251 D CB 1.892 42.800 40.800 0.179 0.000 1.361 251 D HN 0.632 nan 8.370 nan 0.000 0.484 252 G N -0.672 108.106 108.800 -0.037 0.000 2.441 252 G HA2 0.691 4.651 3.960 0.001 0.000 0.294 252 G HA3 0.691 4.651 3.960 0.001 0.000 0.294 252 G C -1.942 172.854 174.900 -0.172 0.000 1.393 252 G CA -0.324 44.718 45.100 -0.096 0.000 0.796 252 G HN 0.632 nan 8.290 nan 0.000 0.494 253 A N -1.458 121.257 122.820 -0.175 0.000 2.606 253 A HA 1.127 5.447 4.320 0.001 0.000 0.293 253 A C -0.520 177.008 177.584 -0.093 0.000 1.082 253 A CA 0.192 52.141 52.037 -0.147 0.000 0.685 253 A CB 1.500 20.386 19.000 -0.189 0.000 1.284 253 A HN 2.619 nan 8.150 nan 0.000 0.408 254 A N -0.531 122.248 122.820 -0.069 0.000 2.594 254 A HA 0.997 5.318 4.320 0.001 0.000 0.296 254 A C -0.608 176.957 177.584 -0.032 0.000 1.061 254 A CA 0.187 52.205 52.037 -0.032 0.000 0.689 254 A CB 0.880 19.873 19.000 -0.012 0.000 1.280 254 A HN 2.710 nan 8.150 nan 0.000 0.406 255 A N -0.038 122.777 122.820 -0.008 0.000 2.609 255 A HA 1.049 5.369 4.320 0.001 0.000 0.291 255 A C -0.498 177.088 177.584 0.004 0.000 1.096 255 A CA -0.004 52.022 52.037 -0.019 0.000 0.684 255 A CB 1.108 20.089 19.000 -0.031 0.000 1.282 255 A HN 2.657 nan 8.150 nan 0.000 0.412 256 A N 0.031 122.841 122.820 -0.017 0.000 2.454 256 A HA 0.764 5.084 4.320 0.001 0.000 0.302 256 A C -1.256 176.315 177.584 -0.022 0.000 1.079 256 A CA -0.437 51.593 52.037 -0.012 0.000 0.731 256 A CB 1.304 20.291 19.000 -0.023 0.000 1.299 256 A HN 1.693 nan 8.150 nan 0.000 0.413 257 L N 2.843 124.057 121.223 -0.014 0.000 2.262 257 L HA 0.485 4.826 4.340 0.001 0.000 0.288 257 L C -1.376 175.483 176.870 -0.019 0.000 1.035 257 L CA -0.779 54.052 54.840 -0.015 0.000 0.820 257 L CB 0.463 42.520 42.059 -0.004 0.000 1.204 257 L HN 0.527 nan 8.230 nan 0.000 0.424 258 L N 6.527 127.736 121.223 -0.023 0.000 2.325 258 L HA 0.617 4.958 4.340 0.001 0.000 0.279 258 L C 0.139 177.003 176.870 -0.011 0.000 1.054 258 L CA -0.189 54.639 54.840 -0.020 0.000 0.804 258 L CB 1.276 43.317 42.059 -0.029 0.000 1.200 258 L HN 0.824 nan 8.230 nan 0.000 0.436 259 M N 0.212 119.808 119.600 -0.006 0.000 3.008 259 M HA 0.525 5.006 4.480 0.001 0.000 0.271 259 M C -0.285 176.017 176.300 0.003 0.000 1.265 259 M CA -0.806 54.494 55.300 -0.000 0.000 0.817 259 M CB 2.002 34.603 32.600 0.001 0.000 1.638 259 M HN 0.397 nan 8.290 nan 0.000 0.479 260 S N -0.527 115.177 115.700 0.006 0.000 2.600 260 S HA 0.173 4.643 4.470 0.001 0.000 0.265 260 S C 0.609 175.215 174.600 0.009 0.000 1.325 260 S CA 0.296 58.502 58.200 0.009 0.000 1.002 260 S CB 1.232 64.438 63.200 0.011 0.000 0.921 260 S HN 0.937 nan 8.310 nan 0.000 0.554 261 E N 1.029 121.236 120.200 0.012 0.000 2.150 261 E HA -0.105 4.245 4.350 0.001 0.000 0.193 261 E C 2.053 178.660 176.600 0.011 0.000 0.985 261 E CA 1.014 57.421 56.400 0.012 0.000 0.814 261 E CB -0.462 29.248 29.700 0.016 0.000 0.752 261 E HN 0.836 nan 8.360 nan 0.000 0.466 262 A N 0.908 123.734 122.820 0.011 0.000 1.897 262 A HA -0.193 4.127 4.320 0.001 0.000 0.215 262 A C 1.983 179.572 177.584 0.008 0.000 1.181 262 A CA 1.584 53.627 52.037 0.010 0.000 0.620 262 A CB -0.412 18.594 19.000 0.010 0.000 0.821 262 A HN 0.297 nan 8.150 nan 0.000 0.443 263 E N 0.119 120.324 120.200 0.008 0.000 2.072 263 E HA -0.031 4.320 4.350 0.001 0.000 0.191 263 E C 1.985 178.589 176.600 0.006 0.000 0.985 263 E CA 1.329 57.733 56.400 0.007 0.000 0.801 263 E CB -0.339 29.365 29.700 0.007 0.000 0.750 263 E HN 0.469 nan 8.360 nan 0.000 0.452 264 A N 0.025 122.848 122.820 0.005 0.000 1.933 264 A HA -0.169 4.151 4.320 0.001 0.000 0.218 264 A C 2.384 179.971 177.584 0.005 0.000 1.175 264 A CA 1.788 53.828 52.037 0.004 0.000 0.628 264 A CB -0.924 18.077 19.000 0.001 0.000 0.814 264 A HN 0.327 nan 8.150 nan 0.000 0.444 265 S N -0.786 114.918 115.700 0.006 0.000 2.368 265 S HA -0.162 4.308 4.470 0.001 0.000 0.224 265 S C 2.185 176.789 174.600 0.006 0.000 1.029 265 S CA 1.265 59.469 58.200 0.006 0.000 0.988 265 S CB -0.343 62.862 63.200 0.007 0.000 0.838 265 S HN 0.610 nan 8.310 nan 0.000 0.462 266 R N 0.387 120.891 120.500 0.006 0.000 2.096 266 R HA -0.029 4.312 4.340 0.001 0.000 0.240 266 R C 2.367 178.670 176.300 0.006 0.000 1.139 266 R CA 1.701 57.805 56.100 0.006 0.000 0.952 266 R CB -0.271 30.033 30.300 0.006 0.000 0.854 266 R HN 0.381 nan 8.270 nan 0.000 0.436 267 R N -0.618 119.885 120.500 0.006 0.000 2.313 267 R HA 0.052 4.393 4.340 0.001 0.000 0.199 267 R C 0.993 177.297 176.300 0.006 0.000 0.958 267 R CA 0.536 56.639 56.100 0.006 0.000 1.047 267 R CB 0.374 30.678 30.300 0.006 0.000 0.955 267 R HN 0.446 nan 8.270 nan 0.000 0.481 268 G N 1.518 110.322 108.800 0.006 0.000 2.160 268 G HA2 -0.279 3.681 3.960 0.001 0.000 0.251 268 G HA3 -0.279 3.681 3.960 0.001 0.000 0.251 268 G C 0.122 175.025 174.900 0.006 0.000 1.008 268 G CA -0.059 45.045 45.100 0.006 0.000 0.724 268 G HN 0.252 nan 8.290 nan 0.000 0.514 269 I N 0.233 120.806 120.570 0.005 0.000 2.396 269 I HA 0.323 4.494 4.170 0.001 0.000 0.292 269 I C 0.332 176.450 176.117 0.001 0.000 0.999 269 I CA -0.627 60.675 61.300 0.004 0.000 1.310 269 I CB 1.525 39.526 38.000 0.003 0.000 1.404 269 I HN -0.065 nan 8.210 nan 0.000 0.496 270 Q N 7.212 127.012 119.800 -0.001 0.000 2.372 270 Q HA 0.425 4.766 4.340 0.001 0.000 0.259 270 Q C -2.374 173.616 176.000 -0.018 0.000 0.993 270 Q CA -1.822 53.977 55.803 -0.006 0.000 0.854 270 Q CB 1.672 30.408 28.738 -0.004 0.000 1.231 270 Q HN 0.313 nan 8.270 nan 0.000 0.462 271 P HA 0.091 nan 4.420 nan 0.000 0.274 271 P C 0.688 177.949 177.300 -0.065 0.000 1.237 271 P CA -0.565 62.513 63.100 -0.037 0.000 0.793 271 P CB 0.882 32.568 31.700 -0.025 0.000 0.977 272 L N 0.032 121.191 121.223 -0.108 0.000 2.201 272 L HA 0.183 4.523 4.340 0.001 0.000 0.212 272 L C 1.334 178.138 176.870 -0.109 0.000 1.105 272 L CA 1.618 56.355 54.840 -0.171 0.000 0.775 272 L CB -1.462 40.422 42.059 -0.291 0.000 0.913 272 L HN 0.723 nan 8.230 nan 0.000 0.440 273 G N -1.688 107.074 108.800 -0.062 0.000 2.356 273 G HA2 0.375 4.336 3.960 0.001 0.000 0.294 273 G HA3 0.375 4.336 3.960 0.001 0.000 0.294 273 G C -1.391 173.510 174.900 0.003 0.000 1.423 273 G CA -0.919 44.169 45.100 -0.020 0.000 0.806 273 G HN -0.061 nan 8.290 nan 0.000 0.527 274 R N 0.164 120.684 120.500 0.035 0.000 2.387 274 R HA 0.612 4.952 4.340 0.001 0.000 0.314 274 R C -0.404 175.932 176.300 0.059 0.000 0.958 274 R CA -0.839 55.288 56.100 0.044 0.000 0.846 274 R CB 0.947 31.281 30.300 0.057 0.000 1.147 274 R HN 0.400 nan 8.270 nan 0.000 0.447 275 I N 6.975 127.570 120.570 0.041 0.000 2.329 275 I HA -0.006 4.164 4.170 0.001 0.000 0.295 275 I C 1.651 177.789 176.117 0.035 0.000 1.109 275 I CA -0.284 61.042 61.300 0.043 0.000 1.297 275 I CB 1.220 39.240 38.000 0.033 0.000 1.433 275 I HN 0.633 nan 8.210 nan 0.000 0.509 276 V N 2.902 122.817 119.914 0.002 0.000 2.407 276 V HA 0.059 4.180 4.120 0.001 0.000 0.245 276 V C 0.843 176.876 176.094 -0.102 0.000 1.041 276 V CA 1.292 63.548 62.300 -0.074 0.000 1.040 276 V CB -0.168 31.539 31.823 -0.194 0.000 0.671 276 V HN 0.752 nan 8.190 nan 0.000 0.455 277 S N -0.604 115.038 115.700 -0.096 0.000 2.587 277 S HA 0.626 5.097 4.470 0.001 0.000 0.269 277 S C -1.232 173.431 174.600 0.105 0.000 1.154 277 S CA -0.338 57.840 58.200 -0.037 0.000 0.824 277 S CB 1.681 64.763 63.200 -0.196 0.000 1.118 277 S HN 1.266 nan 8.310 nan 0.000 0.462 278 W N 0.377 121.637 121.300 -0.067 0.000 3.039 278 W HA 0.877 5.538 4.660 0.001 0.000 0.354 278 W C -1.569 174.937 176.519 -0.020 0.000 1.206 278 W CA -0.994 56.332 57.345 -0.031 0.000 1.134 278 W CB 1.028 30.480 29.460 -0.012 0.000 1.493 278 W HN 1.547 nan 8.180 nan 0.000 0.591 279 A N 1.169 123.912 122.820 -0.128 0.000 2.565 279 A HA 0.535 4.856 4.320 0.001 0.000 0.298 279 A C -1.690 175.867 177.584 -0.044 0.000 1.062 279 A CA -0.285 51.508 52.037 -0.406 0.000 0.723 279 A CB 1.387 20.250 19.000 -0.228 0.000 1.282 279 A HN 0.699 nan 8.150 nan 0.000 0.400 280 T N 1.202 115.691 114.554 -0.109 0.000 2.861 280 T HA 0.705 5.055 4.350 0.001 0.000 0.287 280 T C -1.163 173.547 174.700 0.016 0.000 1.003 280 T CA -0.247 61.910 62.100 0.094 0.000 0.977 280 T CB 0.973 70.009 68.868 0.280 0.000 0.996 280 T HN 1.222 nan 8.240 nan 0.000 0.448 281 V N 2.690 122.628 119.914 0.040 0.000 3.114 281 V HA 0.857 4.977 4.120 0.001 0.000 0.308 281 V C 0.604 176.723 176.094 0.042 0.000 1.168 281 V CA -0.929 61.384 62.300 0.021 0.000 1.015 281 V CB 2.337 34.163 31.823 0.004 0.000 1.050 281 V HN 1.027 nan 8.190 nan 0.000 0.433 282 G N 0.422 109.241 108.800 0.032 0.000 2.441 282 G HA2 0.822 4.783 3.960 0.001 0.000 0.334 282 G HA3 0.822 4.783 3.960 0.001 0.000 0.334 282 G C -0.790 174.129 174.900 0.031 0.000 1.161 282 G CA -0.263 44.859 45.100 0.037 0.000 0.935 282 G HN 1.329 nan 8.290 nan 0.000 0.488 283 V N -2.241 117.696 119.914 0.037 0.000 3.202 283 V HA 0.582 4.702 4.120 0.001 0.000 0.306 283 V C -0.803 175.311 176.094 0.033 0.000 1.283 283 V CA -1.289 61.032 62.300 0.035 0.000 1.065 283 V CB 1.678 33.530 31.823 0.049 0.000 1.079 283 V HN 0.602 nan 8.190 nan 0.000 0.448 284 D N 1.796 122.215 120.400 0.033 0.000 2.487 284 D HA 0.214 4.854 4.640 0.001 0.000 0.243 284 D C -1.678 174.667 176.300 0.074 0.000 1.154 284 D CA -1.075 52.948 54.000 0.038 0.000 0.876 284 D CB 1.906 42.724 40.800 0.030 0.000 1.161 284 D HN 0.426 nan 8.370 nan 0.000 0.478 285 P HA -0.118 nan 4.420 nan 0.000 0.221 285 P C 1.035 178.466 177.300 0.219 0.000 1.145 285 P CA 1.042 64.263 63.100 0.203 0.000 0.795 285 P CB 0.274 32.145 31.700 0.285 0.000 0.775 286 K N -0.377 120.097 120.400 0.125 0.000 2.148 286 K HA -0.024 4.296 4.320 0.001 0.000 0.204 286 K C 0.968 177.578 176.600 0.017 0.000 1.050 286 K CA 1.437 57.727 56.287 0.005 0.000 0.942 286 K CB -0.201 32.201 32.500 -0.163 0.000 0.724 286 K HN 0.158 nan 8.250 nan 0.000 0.446 287 V N -0.217 119.718 119.914 0.034 0.000 2.699 287 V HA 0.125 4.246 4.120 0.001 0.000 0.311 287 V C 0.892 177.020 176.094 0.058 0.000 1.160 287 V CA -0.498 61.823 62.300 0.036 0.000 1.313 287 V CB 0.088 31.943 31.823 0.055 0.000 1.553 287 V HN 0.133 nan 8.190 nan 0.000 0.630 288 M N 0.674 120.317 119.600 0.071 0.000 2.358 288 M HA 0.199 4.679 4.480 0.001 0.000 0.264 288 M C 1.711 178.060 176.300 0.081 0.000 1.064 288 M CA 2.367 57.722 55.300 0.092 0.000 1.093 288 M CB -1.283 31.391 32.600 0.124 0.000 1.401 288 M HN 0.314 nan 8.290 nan 0.000 0.440 289 G N 0.125 108.960 108.800 0.058 0.000 2.509 289 G HA2 -0.123 3.837 3.960 0.001 0.000 0.218 289 G HA3 -0.123 3.837 3.960 0.001 0.000 0.218 289 G C 1.408 176.317 174.900 0.015 0.000 1.124 289 G CA 1.036 46.165 45.100 0.048 0.000 0.776 289 G HN 0.709 nan 8.290 nan 0.000 0.547 290 T N -2.078 112.494 114.554 0.030 0.000 3.272 290 T HA 0.323 4.673 4.350 0.001 0.000 0.250 290 T C 2.115 176.838 174.700 0.039 0.000 1.082 290 T CA 0.752 62.867 62.100 0.025 0.000 0.968 290 T CB 0.569 69.494 68.868 0.094 0.000 1.015 290 T HN 0.102 nan 8.240 nan 0.000 0.563 291 G N 2.755 111.586 108.800 0.052 0.000 2.446 291 G HA2 -0.093 3.868 3.960 0.001 0.000 0.217 291 G HA3 -0.093 3.868 3.960 0.001 0.000 0.217 291 G C -0.626 174.312 174.900 0.063 0.000 1.168 291 G CA 0.500 45.639 45.100 0.064 0.000 0.771 291 G HN 0.466 nan 8.290 nan 0.000 0.551 292 P HA -0.043 nan 4.420 nan 0.000 0.221 292 P C 1.754 179.089 177.300 0.058 0.000 1.145 292 P CA 0.640 63.796 63.100 0.093 0.000 0.795 292 P CB -0.015 31.758 31.700 0.122 0.000 0.775 293 I N 0.688 121.261 120.570 0.006 0.000 2.110 293 I HA -0.131 4.040 4.170 0.001 0.000 0.236 293 I C -0.331 175.781 176.117 -0.009 0.000 1.068 293 I CA 1.858 63.135 61.300 -0.038 0.000 1.333 293 I CB -1.999 35.980 38.000 -0.035 0.000 1.054 293 I HN 0.043 nan 8.210 nan 0.000 0.402 294 P HA -0.100 nan 4.420 nan 0.000 0.219 294 P C 1.344 178.652 177.300 0.013 0.000 1.150 294 P CA 1.775 64.881 63.100 0.010 0.000 0.814 294 P CB 0.034 31.742 31.700 0.014 0.000 0.787 295 A N 0.269 123.109 122.820 0.033 0.000 1.898 295 A HA -0.096 4.224 4.320 0.001 0.000 0.216 295 A C 2.492 180.110 177.584 0.056 0.000 1.181 295 A CA 1.911 53.973 52.037 0.041 0.000 0.620 295 A CB -1.457 17.588 19.000 0.075 0.000 0.819 295 A HN 0.152 nan 8.150 nan 0.000 0.442 296 S N -0.417 115.340 115.700 0.094 0.000 2.368 296 S HA -0.140 4.331 4.470 0.001 0.000 0.225 296 S C 2.067 176.727 174.600 0.100 0.000 1.030 296 S CA 1.320 59.608 58.200 0.146 0.000 0.999 296 S CB -0.306 63.046 63.200 0.253 0.000 0.844 296 S HN 0.583 nan 8.310 nan 0.000 0.459 297 R N 0.943 121.472 120.500 0.049 0.000 2.120 297 R HA 0.020 4.360 4.340 0.001 0.000 0.234 297 R C 2.345 178.646 176.300 0.003 0.000 1.123 297 R CA 0.793 56.909 56.100 0.025 0.000 0.975 297 R CB -0.116 30.183 30.300 -0.001 0.000 0.866 297 R HN 0.136 nan 8.270 nan 0.000 0.446 298 K N 0.791 121.180 120.400 -0.018 0.000 2.031 298 K HA -0.021 4.300 4.320 0.001 0.000 0.205 298 K C 1.989 178.535 176.600 -0.090 0.000 1.049 298 K CA 1.441 57.691 56.287 -0.062 0.000 0.939 298 K CB -0.261 32.187 32.500 -0.087 0.000 0.717 298 K HN 0.111 nan 8.250 nan 0.000 0.438 299 A N 1.653 124.431 122.820 -0.071 0.000 1.873 299 A HA -0.169 4.151 4.320 0.001 0.000 0.218 299 A C 2.381 179.901 177.584 -0.107 0.000 1.193 299 A CA 1.588 53.571 52.037 -0.090 0.000 0.629 299 A CB -0.817 18.177 19.000 -0.009 0.000 0.826 299 A HN 0.308 nan 8.150 nan 0.000 0.447 300 L N -0.953 120.257 121.223 -0.020 0.000 2.127 300 L HA -0.218 4.123 4.340 0.001 0.000 0.211 300 L C 2.659 179.510 176.870 -0.032 0.000 1.089 300 L CA 1.774 56.624 54.840 0.016 0.000 0.757 300 L CB -0.457 41.686 42.059 0.141 0.000 0.899 300 L HN 0.599 nan 8.230 nan 0.000 0.434 301 E N 0.253 120.428 120.200 -0.042 0.000 2.072 301 E HA -0.185 4.165 4.350 0.001 0.000 0.190 301 E C 2.347 178.891 176.600 -0.094 0.000 0.982 301 E CA 0.742 57.114 56.400 -0.048 0.000 0.803 301 E CB 0.175 29.849 29.700 -0.043 0.000 0.755 301 E HN 0.400 nan 8.360 nan 0.000 0.453 302 R N -0.104 120.311 120.500 -0.141 0.000 2.092 302 R HA -0.044 4.297 4.340 0.001 0.000 0.231 302 R C 2.224 178.390 176.300 -0.224 0.000 1.119 302 R CA 1.048 57.047 56.100 -0.170 0.000 0.970 302 R CB -0.158 30.022 30.300 -0.201 0.000 0.864 302 R HN 0.085 nan 8.270 nan 0.000 0.440 303 A N 0.026 122.634 122.820 -0.353 0.000 2.167 303 A HA 0.133 4.453 4.320 0.001 0.000 0.214 303 A C 1.586 178.861 177.584 -0.515 0.000 1.151 303 A CA 0.966 52.609 52.037 -0.657 0.000 0.735 303 A CB -0.267 17.947 19.000 -1.311 0.000 0.802 303 A HN 0.479 nan 8.150 nan 0.000 0.467 304 G N -2.986 105.695 108.800 -0.198 0.000 2.162 304 G HA2 -0.248 3.712 3.960 0.001 0.000 0.260 304 G HA3 -0.248 3.712 3.960 0.001 0.000 0.260 304 G C -0.145 174.887 174.900 0.221 0.000 0.976 304 G CA 0.390 45.499 45.100 0.016 0.000 0.655 304 G HN 0.387 nan 8.290 nan 0.000 0.533 305 W N 0.933 122.250 121.300 0.027 0.000 2.375 305 W HA 0.720 5.381 4.660 0.001 0.000 0.336 305 W C 0.712 177.255 176.519 0.040 0.000 1.160 305 W CA -1.510 55.856 57.345 0.035 0.000 1.266 305 W CB 0.625 30.111 29.460 0.044 0.000 1.195 305 W HN 0.013 nan 8.180 nan 0.000 0.599 306 K N 1.441 122.002 120.400 0.267 0.000 2.090 306 K HA 0.342 4.663 4.320 0.001 0.000 0.249 306 K C 1.265 177.982 176.600 0.194 0.000 0.995 306 K CA -0.780 55.612 56.287 0.175 0.000 0.914 306 K CB 1.386 33.953 32.500 0.110 0.000 1.057 306 K HN 0.268 nan 8.250 nan 0.000 0.462 307 I N 1.018 121.690 120.570 0.169 0.000 2.264 307 I HA -0.221 3.949 4.170 0.001 0.000 0.248 307 I C 2.087 178.322 176.117 0.196 0.000 1.111 307 I CA 1.614 63.044 61.300 0.218 0.000 1.382 307 I CB -0.397 37.706 38.000 0.170 0.000 1.060 307 I HN 0.912 nan 8.210 nan 0.000 0.418 308 G N -0.009 108.866 108.800 0.126 0.000 2.509 308 G HA2 -0.183 3.778 3.960 0.001 0.000 0.218 308 G HA3 -0.183 3.778 3.960 0.001 0.000 0.218 308 G C 1.142 176.061 174.900 0.032 0.000 1.124 308 G CA 0.479 45.630 45.100 0.084 0.000 0.776 308 G HN 0.298 nan 8.290 nan 0.000 0.547 309 D N 0.307 120.712 120.400 0.008 0.000 2.269 309 D HA 0.011 4.652 4.640 0.001 0.000 0.208 309 D C 1.341 177.541 176.300 -0.168 0.000 0.963 309 D CA 0.071 54.002 54.000 -0.115 0.000 0.864 309 D CB 0.024 40.695 40.800 -0.214 0.000 0.936 309 D HN 0.245 nan 8.370 nan 0.000 0.505 310 L N 1.621 122.810 121.223 -0.058 0.000 2.490 310 L HA -0.010 4.331 4.340 0.001 0.000 0.274 310 L C 1.212 178.036 176.870 -0.077 0.000 1.201 310 L CA 0.034 54.838 54.840 -0.060 0.000 0.869 310 L CB 0.670 42.753 42.059 0.041 0.000 1.123 310 L HN -0.168 nan 8.230 nan 0.000 0.484 311 D N 2.174 122.511 120.400 -0.104 0.000 2.338 311 D HA 0.187 4.827 4.640 0.001 0.000 0.208 311 D C -0.063 176.187 176.300 -0.083 0.000 0.997 311 D CA 0.644 54.592 54.000 -0.086 0.000 0.880 311 D CB 0.812 41.557 40.800 -0.092 0.000 0.980 311 D HN 0.167 nan 8.370 nan 0.000 0.509 312 L N 0.404 121.571 121.223 -0.094 0.000 2.472 312 L HA 0.398 4.739 4.340 0.001 0.000 0.260 312 L C -1.723 175.052 176.870 -0.159 0.000 0.963 312 L CA -0.723 54.050 54.840 -0.112 0.000 0.829 312 L CB 2.538 44.555 42.059 -0.071 0.000 1.348 312 L HN -0.321 nan 8.230 nan 0.000 0.408 313 V N 2.641 122.410 119.914 -0.240 0.000 2.760 313 V HA 0.604 4.725 4.120 0.001 0.000 0.309 313 V C -0.985 174.972 176.094 -0.230 0.000 1.077 313 V CA -0.672 61.420 62.300 -0.346 0.000 0.910 313 V CB 2.036 33.361 31.823 -0.831 0.000 1.008 313 V HN 0.653 nan 8.190 nan 0.000 0.424 314 E N 2.966 123.080 120.200 -0.143 0.000 2.183 314 E HA 0.565 4.916 4.350 0.001 0.000 0.250 314 E C -0.424 176.166 176.600 -0.017 0.000 0.901 314 E CA -0.248 56.121 56.400 -0.051 0.000 0.741 314 E CB 1.903 31.608 29.700 0.008 0.000 1.182 314 E HN 0.805 nan 8.360 nan 0.000 0.425 315 A N 3.837 126.658 122.820 0.002 0.000 2.252 315 A HA 0.267 4.588 4.320 0.001 0.000 0.309 315 A C 0.277 177.925 177.584 0.107 0.000 1.285 315 A CA -0.668 51.428 52.037 0.099 0.000 0.900 315 A CB 0.059 19.181 19.000 0.203 0.000 1.157 315 A HN 0.440 nan 8.150 nan 0.000 0.536 316 N N 2.307 121.061 118.700 0.091 0.000 2.440 316 N HA 0.025 4.766 4.740 0.001 0.000 0.265 316 N C -0.238 175.290 175.510 0.029 0.000 1.239 316 N CA 0.471 53.557 53.050 0.061 0.000 0.909 316 N CB 0.325 38.847 38.487 0.058 0.000 1.066 316 N HN 0.621 nan 8.380 nan 0.000 0.474 317 E N 3.008 123.228 120.200 0.035 0.000 1.814 317 E HA 0.138 4.488 4.350 0.001 0.000 0.264 317 E C 0.357 176.867 176.600 -0.150 0.000 1.179 317 E CA -0.408 56.016 56.400 0.040 0.000 0.972 317 E CB 0.369 30.181 29.700 0.185 0.000 1.077 317 E HN 0.686 nan 8.360 nan 0.000 0.417 318 A N 3.611 126.290 122.820 -0.234 0.000 1.874 318 A HA 0.053 4.373 4.320 0.001 0.000 0.214 318 A C 0.307 177.440 177.584 -0.752 0.000 1.189 318 A CA 0.944 52.667 52.037 -0.522 0.000 0.615 318 A CB 0.207 19.023 19.000 -0.307 0.000 0.830 318 A HN 0.430 nan 8.150 nan 0.000 0.443 319 F N -3.868 116.049 119.950 -0.056 0.000 2.601 319 F HA 0.586 5.113 4.527 0.001 0.000 0.309 319 F C 1.046 176.800 175.800 -0.077 0.000 1.089 319 F CA -0.414 57.569 58.000 -0.027 0.000 0.940 319 F CB 1.754 40.729 39.000 -0.041 0.000 1.273 319 F HN 0.053 nan 8.300 nan 0.000 0.450 320 A N 1.343 124.241 122.820 0.131 0.000 2.019 320 A HA 0.046 4.367 4.320 0.001 0.000 0.219 320 A C 2.130 179.592 177.584 -0.203 0.000 1.164 320 A CA 1.932 53.917 52.037 -0.087 0.000 0.644 320 A CB -0.958 18.106 19.000 0.107 0.000 0.805 320 A HN 0.886 nan 8.150 nan 0.000 0.449 321 A N 0.393 123.186 122.820 -0.045 0.000 1.877 321 A HA -0.189 4.132 4.320 0.001 0.000 0.216 321 A C 2.155 179.640 177.584 -0.164 0.000 1.186 321 A CA 2.000 53.983 52.037 -0.090 0.000 0.620 321 A CB -0.595 18.373 19.000 -0.055 0.000 0.822 321 A HN 0.703 nan 8.150 nan 0.000 0.443 322 Q N -0.480 119.259 119.800 -0.101 0.000 2.245 322 Q HA 0.321 4.661 4.340 0.001 0.000 0.201 322 Q C 1.762 177.640 176.000 -0.203 0.000 0.955 322 Q CA 1.663 57.385 55.803 -0.135 0.000 0.870 322 Q CB -0.728 28.009 28.738 -0.003 0.000 0.945 322 Q HN 0.433 nan 8.270 nan 0.000 0.461 323 A N 0.364 123.041 122.820 -0.238 0.000 1.930 323 A HA -0.091 4.230 4.320 0.001 0.000 0.217 323 A C 2.197 179.524 177.584 -0.429 0.000 1.175 323 A CA 1.189 53.044 52.037 -0.303 0.000 0.627 323 A CB -0.959 17.811 19.000 -0.384 0.000 0.815 323 A HN 0.592 nan 8.150 nan 0.000 0.443 324 C N -1.058 117.902 119.300 -0.566 0.000 2.457 324 C HA 0.146 4.606 4.460 0.001 0.000 0.278 324 C C 3.280 178.031 174.990 -0.397 0.000 1.309 324 C CA 0.577 59.342 59.018 -0.422 0.000 1.735 324 C CB -1.236 26.294 27.740 -0.350 0.000 1.992 324 C HN 0.701 nan 8.230 nan 0.000 0.493 325 A N 0.580 123.074 122.820 -0.543 0.000 1.877 325 A HA -0.087 4.233 4.320 0.001 0.000 0.216 325 A C 2.294 179.358 177.584 -0.867 0.000 1.186 325 A CA 2.104 53.529 52.037 -1.020 0.000 0.620 325 A CB -0.815 17.445 19.000 -1.233 0.000 0.822 325 A HN 0.340 nan 8.150 nan 0.000 0.443 326 V N 1.064 120.684 119.914 -0.490 0.000 2.255 326 V HA -0.308 3.812 4.120 0.001 0.000 0.247 326 V C 2.311 178.202 176.094 -0.338 0.000 1.051 326 V CA 2.367 64.476 62.300 -0.318 0.000 1.018 326 V CB -1.144 30.623 31.823 -0.092 0.000 0.641 326 V HN 0.568 nan 8.190 nan 0.000 0.445 327 N N 0.019 118.613 118.700 -0.176 0.000 2.149 327 N HA -0.186 4.554 4.740 0.001 0.000 0.188 327 N C 1.789 177.167 175.510 -0.220 0.000 1.019 327 N CA 1.458 54.461 53.050 -0.078 0.000 0.857 327 N CB -0.345 38.227 38.487 0.142 0.000 0.997 327 N HN 0.503 nan 8.380 nan 0.000 0.426 328 K N 0.338 120.583 120.400 -0.258 0.000 2.103 328 K HA -0.067 4.254 4.320 0.001 0.000 0.204 328 K C 1.555 178.070 176.600 -0.141 0.000 1.052 328 K CA 0.992 57.176 56.287 -0.172 0.000 0.945 328 K CB 0.056 32.459 32.500 -0.162 0.000 0.722 328 K HN 0.104 nan 8.250 nan 0.000 0.443 329 D N 0.437 120.674 120.400 -0.271 0.000 2.091 329 D HA -0.115 4.526 4.640 0.001 0.000 0.199 329 D C 1.957 178.149 176.300 -0.181 0.000 0.980 329 D CA 1.034 54.988 54.000 -0.077 0.000 0.831 329 D CB 0.145 40.910 40.800 -0.059 0.000 0.987 329 D HN 0.173 nan 8.370 nan 0.000 0.460 330 L N -0.077 120.897 121.223 -0.414 0.000 2.093 330 L HA 0.011 4.352 4.340 0.001 0.000 0.208 330 L C 1.896 178.501 176.870 -0.442 0.000 1.085 330 L CA 1.045 55.547 54.840 -0.564 0.000 0.755 330 L CB -0.411 40.921 42.059 -1.210 0.000 0.904 330 L HN 0.296 nan 8.230 nan 0.000 0.435 331 G N -0.739 107.808 108.800 -0.422 0.000 2.136 331 G HA2 -0.252 3.709 3.960 0.001 0.000 0.242 331 G HA3 -0.252 3.709 3.960 0.001 0.000 0.242 331 G C -0.074 174.817 174.900 -0.016 0.000 0.989 331 G CA 0.121 45.126 45.100 -0.158 0.000 0.682 331 G HN 0.360 nan 8.290 nan 0.000 0.522 332 W N 0.466 121.783 121.300 0.028 0.000 2.079 332 W HA 0.603 5.263 4.660 0.001 0.000 0.354 332 W C 0.159 176.695 176.519 0.028 0.000 1.302 332 W CA -2.021 55.342 57.345 0.030 0.000 1.281 332 W CB 0.275 29.756 29.460 0.035 0.000 1.165 332 W HN 0.084 nan 8.180 nan 0.000 0.603 333 D N 3.176 123.761 120.400 0.308 0.000 2.382 333 D HA 0.017 4.658 4.640 0.001 0.000 0.259 333 D C -0.986 175.412 176.300 0.163 0.000 1.224 333 D CA -1.448 52.658 54.000 0.176 0.000 0.894 333 D CB 1.250 42.107 40.800 0.096 0.000 1.127 333 D HN 0.155 nan 8.370 nan 0.000 0.487 334 P HA -0.115 nan 4.420 nan 0.000 0.226 334 P C 1.116 178.454 177.300 0.063 0.000 1.153 334 P CA 0.577 63.767 63.100 0.151 0.000 0.777 334 P CB 0.105 31.901 31.700 0.159 0.000 0.794 335 S N 0.455 116.178 115.700 0.039 0.000 2.481 335 S HA -0.074 4.396 4.470 0.001 0.000 0.231 335 S C 1.812 176.397 174.600 -0.024 0.000 0.996 335 S CA 0.604 58.806 58.200 0.004 0.000 0.942 335 S CB -1.333 61.871 63.200 0.006 0.000 0.768 335 S HN 0.368 nan 8.310 nan 0.000 0.520 336 I N -0.860 119.686 120.570 -0.040 0.000 3.904 336 I HA 0.427 4.597 4.170 0.001 0.000 0.333 336 I C -0.674 175.358 176.117 -0.141 0.000 1.361 336 I CA -0.454 60.797 61.300 -0.082 0.000 1.116 336 I CB 0.260 38.209 38.000 -0.085 0.000 1.028 336 I HN -0.023 nan 8.210 nan 0.000 0.398 337 V N 3.171 123.011 119.914 -0.124 0.000 2.370 337 V HA 0.332 4.452 4.120 0.001 0.000 0.279 337 V C 0.079 176.136 176.094 -0.062 0.000 1.029 337 V CA -0.500 61.707 62.300 -0.154 0.000 0.870 337 V CB 0.719 32.476 31.823 -0.110 0.000 0.984 337 V HN 0.526 nan 8.190 nan 0.000 0.451 338 N N 2.842 121.508 118.700 -0.056 0.000 2.725 338 N HA -0.157 4.583 4.740 0.001 0.000 0.251 338 N C 1.032 176.523 175.510 -0.031 0.000 1.031 338 N CA 0.862 53.903 53.050 -0.016 0.000 0.720 338 N CB -1.128 37.367 38.487 0.013 0.000 0.930 338 N HN 0.473 nan 8.380 nan 0.000 0.543 339 V N -0.165 119.724 119.914 -0.042 0.000 2.370 339 V HA -0.258 3.862 4.120 0.001 0.000 0.252 339 V C 1.316 177.377 176.094 -0.054 0.000 1.068 339 V CA 1.979 64.248 62.300 -0.051 0.000 1.061 339 V CB -0.132 31.659 31.823 -0.054 0.000 0.656 339 V HN 0.507 nan 8.190 nan 0.000 0.455 340 N N 0.367 119.049 118.700 -0.029 0.000 2.558 340 N HA 0.375 5.115 4.740 0.001 0.000 0.281 340 N C 0.553 176.125 175.510 0.103 0.000 1.219 340 N CA 0.865 53.897 53.050 -0.029 0.000 0.942 340 N CB 0.347 38.778 38.487 -0.093 0.000 1.241 340 N HN 0.536 nan 8.380 nan 0.000 0.511 341 G N -0.843 107.975 108.800 0.030 0.000 2.804 341 G HA2 0.025 3.986 3.960 0.001 0.000 0.230 341 G HA3 0.025 3.986 3.960 0.001 0.000 0.230 341 G C -0.028 174.904 174.900 0.053 0.000 1.386 341 G CA -0.442 44.671 45.100 0.022 0.000 0.875 341 G HN 0.629 nan 8.290 nan 0.000 0.557 342 G N -3.119 105.702 108.800 0.034 0.000 2.911 342 G HA2 0.796 4.756 3.960 0.001 0.000 0.299 342 G HA3 0.796 4.756 3.960 0.001 0.000 0.299 342 G C 0.982 175.920 174.900 0.063 0.000 1.283 342 G CA 1.039 46.174 45.100 0.059 0.000 0.805 342 G HN 2.013 nan 8.290 nan 0.000 0.548 343 A N -0.717 122.144 122.820 0.068 0.000 2.019 343 A HA 0.083 4.404 4.320 0.001 0.000 0.219 343 A C 2.290 179.934 177.584 0.101 0.000 1.164 343 A CA 1.470 53.548 52.037 0.069 0.000 0.644 343 A CB -0.601 18.404 19.000 0.008 0.000 0.805 343 A HN 0.522 nan 8.150 nan 0.000 0.449 344 I N -0.484 120.139 120.570 0.088 0.000 2.163 344 I HA -0.324 3.847 4.170 0.001 0.000 0.243 344 I C 2.881 179.063 176.117 0.107 0.000 1.085 344 I CA 1.413 62.779 61.300 0.109 0.000 1.347 344 I CB -0.247 37.811 38.000 0.096 0.000 1.044 344 I HN 0.382 nan 8.210 nan 0.000 0.408 345 A N 0.316 123.161 122.820 0.042 0.000 1.911 345 A HA 0.060 4.381 4.320 0.001 0.000 0.212 345 A C 2.189 179.807 177.584 0.056 0.000 1.189 345 A CA 0.789 52.804 52.037 -0.036 0.000 0.639 345 A CB -0.458 18.512 19.000 -0.049 0.000 0.839 345 A HN 0.335 nan 8.150 nan 0.000 0.449 346 I N -1.049 119.581 120.570 0.100 0.000 2.584 346 I HA 0.238 4.409 4.170 0.001 0.000 0.255 346 I C 1.288 177.517 176.117 0.187 0.000 1.145 346 I CA 0.949 62.290 61.300 0.068 0.000 1.462 346 I CB -0.210 37.760 38.000 -0.051 0.000 1.102 346 I HN 0.498 nan 8.210 nan 0.000 0.433 347 G N 0.277 109.227 108.800 0.250 0.000 2.479 347 G HA2 -0.164 3.797 3.960 0.001 0.000 0.686 347 G HA3 -0.164 3.797 3.960 0.001 0.000 0.686 347 G C -1.048 173.902 174.900 0.083 0.000 1.295 347 G CA -0.774 44.368 45.100 0.072 0.000 0.922 347 G HN 0.325 nan 8.290 nan 0.000 0.582 348 H N 1.142 120.142 119.070 -0.115 0.000 2.607 348 H HA 0.554 5.110 4.556 0.001 0.000 0.248 348 H C -2.350 172.931 175.328 -0.078 0.000 1.355 348 H CA -1.629 54.371 56.048 -0.081 0.000 1.524 348 H CB 1.520 31.228 29.762 -0.090 0.000 1.563 348 H HN 0.416 nan 8.280 nan 0.000 0.509 349 P HA 0.081 nan 4.420 nan 0.000 0.268 349 P C 1.217 178.332 177.300 -0.309 0.000 1.541 349 P CA -0.018 62.963 63.100 -0.199 0.000 1.093 349 P CB 0.300 31.934 31.700 -0.109 0.000 1.551 350 I N 2.443 122.771 120.570 -0.404 0.000 2.151 350 I HA -0.362 3.809 4.170 0.001 0.000 0.236 350 I C 2.506 178.479 176.117 -0.241 0.000 1.000 350 I CA 2.436 63.476 61.300 -0.433 0.000 1.285 350 I CB -1.278 36.584 38.000 -0.230 0.000 0.994 350 I HN 0.330 nan 8.210 nan 0.000 0.396 351 G N -0.396 108.313 108.800 -0.151 0.000 2.422 351 G HA2 -0.091 3.869 3.960 0.001 0.000 0.218 351 G HA3 -0.091 3.869 3.960 0.001 0.000 0.218 351 G C 1.605 176.446 174.900 -0.098 0.000 1.140 351 G CA 0.750 45.788 45.100 -0.102 0.000 0.775 351 G HN 0.572 nan 8.290 nan 0.000 0.545 352 A N 0.121 122.875 122.820 -0.111 0.000 2.218 352 A HA 0.357 4.677 4.320 0.001 0.000 0.209 352 A C 2.347 179.892 177.584 -0.064 0.000 1.168 352 A CA 1.384 53.368 52.037 -0.089 0.000 0.804 352 A CB -0.292 18.652 19.000 -0.094 0.000 0.834 352 A HN 0.329 nan 8.150 nan 0.000 0.482 353 S N 0.063 115.715 115.700 -0.079 0.000 2.382 353 S HA -0.068 4.402 4.470 0.001 0.000 0.228 353 S C 2.005 176.630 174.600 0.042 0.000 1.027 353 S CA 1.910 60.104 58.200 -0.009 0.000 0.991 353 S CB -0.447 62.749 63.200 -0.006 0.000 0.823 353 S HN 0.641 nan 8.310 nan 0.000 0.469 354 G N 0.441 109.257 108.800 0.026 0.000 2.402 354 G HA2 0.053 4.013 3.960 0.001 0.000 0.216 354 G HA3 0.053 4.013 3.960 0.001 0.000 0.216 354 G C 1.635 176.548 174.900 0.021 0.000 1.162 354 G CA 0.778 45.900 45.100 0.036 0.000 0.777 354 G HN 0.665 nan 8.290 nan 0.000 0.539 355 A N 0.275 123.093 122.820 -0.004 0.000 1.968 355 A HA 0.097 4.418 4.320 0.001 0.000 0.217 355 A C 2.364 179.959 177.584 0.020 0.000 1.169 355 A CA 1.433 53.468 52.037 -0.004 0.000 0.638 355 A CB -0.349 18.633 19.000 -0.030 0.000 0.812 355 A HN 0.222 nan 8.150 nan 0.000 0.446 356 R N 0.747 121.257 120.500 0.017 0.000 2.082 356 R HA -0.163 4.177 4.340 0.001 0.000 0.234 356 R C 2.066 178.401 176.300 0.058 0.000 1.136 356 R CA 2.169 58.286 56.100 0.029 0.000 0.935 356 R CB -0.794 29.517 30.300 0.017 0.000 0.842 356 R HN 0.754 nan 8.270 nan 0.000 0.430 357 I N -1.669 118.938 120.570 0.062 0.000 2.676 357 I HA -0.122 4.048 4.170 0.001 0.000 0.259 357 I C 2.268 178.431 176.117 0.075 0.000 1.194 357 I CA 0.953 62.298 61.300 0.075 0.000 1.473 357 I CB -0.281 37.764 38.000 0.074 0.000 1.096 357 I HN 0.064 nan 8.210 nan 0.000 0.443 358 L N 1.239 122.501 121.223 0.065 0.000 2.093 358 L HA -0.158 4.183 4.340 0.001 0.000 0.208 358 L C 2.440 179.361 176.870 0.085 0.000 1.085 358 L CA 1.499 56.374 54.840 0.058 0.000 0.755 358 L CB -0.527 41.553 42.059 0.035 0.000 0.904 358 L HN 0.422 nan 8.230 nan 0.000 0.435 359 N N -0.774 118.003 118.700 0.128 0.000 2.028 359 N HA -0.189 4.551 4.740 0.001 0.000 0.194 359 N C 1.533 177.230 175.510 0.313 0.000 1.050 359 N CA 2.246 55.447 53.050 0.253 0.000 0.848 359 N CB -0.325 38.314 38.487 0.253 0.000 1.038 359 N HN 0.332 nan 8.380 nan 0.000 0.423 360 T N 3.070 117.764 114.554 0.234 0.000 2.680 360 T HA -0.186 4.165 4.350 0.001 0.000 0.268 360 T C 1.905 176.710 174.700 0.175 0.000 1.033 360 T CA 0.888 63.126 62.100 0.230 0.000 1.152 360 T CB -0.394 68.593 68.868 0.198 0.000 0.859 360 T HN 0.204 nan 8.240 nan 0.000 0.452 361 L N 0.344 121.637 121.223 0.117 0.000 2.027 361 L HA 0.002 4.343 4.340 0.001 0.000 0.206 361 L C 2.433 179.330 176.870 0.045 0.000 1.074 361 L CA 1.623 56.501 54.840 0.063 0.000 0.745 361 L CB -0.573 41.510 42.059 0.039 0.000 0.898 361 L HN 0.339 nan 8.230 nan 0.000 0.433 362 L N -1.145 120.092 121.223 0.022 0.000 2.017 362 L HA -0.261 4.080 4.340 0.001 0.000 0.208 362 L C 2.544 179.322 176.870 -0.153 0.000 1.073 362 L CA 1.383 56.160 54.840 -0.105 0.000 0.745 362 L CB -0.601 41.323 42.059 -0.224 0.000 0.894 362 L HN 0.141 nan 8.230 nan 0.000 0.432 363 F N 0.093 120.058 119.950 0.024 0.000 2.186 363 F HA -0.180 4.347 4.527 0.001 0.000 0.299 363 F C 2.603 178.404 175.800 0.003 0.000 1.090 363 F CA 1.303 59.314 58.000 0.019 0.000 1.307 363 F CB -0.264 38.756 39.000 0.033 0.000 1.019 363 F HN 0.060 nan 8.300 nan 0.000 0.489 364 E N 0.421 120.717 120.200 0.159 0.000 2.047 364 E HA -0.194 4.156 4.350 0.001 0.000 0.191 364 E C 2.163 178.779 176.600 0.027 0.000 0.987 364 E CA 1.402 57.842 56.400 0.068 0.000 0.799 364 E CB -0.304 29.418 29.700 0.037 0.000 0.752 364 E HN 0.319 nan 8.360 nan 0.000 0.449 365 M N 0.076 119.682 119.600 0.010 0.000 2.144 365 M HA -0.217 4.263 4.480 0.001 0.000 0.260 365 M C 2.346 178.636 176.300 -0.018 0.000 1.067 365 M CA 1.797 57.088 55.300 -0.015 0.000 1.095 365 M CB -0.206 32.380 32.600 -0.025 0.000 1.365 365 M HN 0.006 nan 8.290 nan 0.000 0.406 366 K N 0.117 120.506 120.400 -0.017 0.000 2.062 366 K HA -0.147 4.173 4.320 0.001 0.000 0.205 366 K C 2.146 178.756 176.600 0.017 0.000 1.051 366 K CA 1.087 57.367 56.287 -0.012 0.000 0.941 366 K CB -0.005 32.475 32.500 -0.033 0.000 0.719 366 K HN 0.177 nan 8.250 nan 0.000 0.440 367 R N 0.941 121.465 120.500 0.040 0.000 2.073 367 R HA -0.100 4.240 4.340 0.001 0.000 0.229 367 R C 2.045 178.348 176.300 0.006 0.000 1.120 367 R CA 1.679 57.799 56.100 0.033 0.000 0.967 367 R CB -0.001 30.324 30.300 0.041 0.000 0.862 367 R HN 0.223 nan 8.270 nan 0.000 0.436 368 R N -1.349 119.149 120.500 -0.003 0.000 2.362 368 R HA 0.225 4.565 4.340 0.001 0.000 0.227 368 R C 0.565 176.855 176.300 -0.018 0.000 0.905 368 R CA 0.596 56.687 56.100 -0.015 0.000 1.067 368 R CB 0.432 30.719 30.300 -0.022 0.000 1.078 368 R HN 0.224 nan 8.270 nan 0.000 0.516 369 G N 0.748 109.538 108.800 -0.017 0.000 2.248 369 G HA2 -0.243 3.718 3.960 0.001 0.000 0.263 369 G HA3 -0.243 3.718 3.960 0.001 0.000 0.263 369 G C 0.089 174.970 174.900 -0.031 0.000 1.082 369 G CA -0.024 45.063 45.100 -0.022 0.000 0.863 369 G HN 0.659 nan 8.290 nan 0.000 0.495 370 A N -0.694 122.105 122.820 -0.034 0.000 2.401 370 A HA 0.781 5.102 4.320 0.001 0.000 0.259 370 A C 1.257 178.809 177.584 -0.053 0.000 1.103 370 A CA 0.601 52.609 52.037 -0.048 0.000 0.789 370 A CB 0.452 19.424 19.000 -0.047 0.000 1.035 370 A HN 0.555 nan 8.150 nan 0.000 0.491 371 R N 1.120 121.573 120.500 -0.078 0.000 2.055 371 R HA 0.083 4.424 4.340 0.001 0.000 0.221 371 R C 0.002 176.237 176.300 -0.108 0.000 1.154 371 R CA 0.926 56.973 56.100 -0.088 0.000 0.975 371 R CB -0.077 30.153 30.300 -0.118 0.000 0.869 371 R HN 0.657 nan 8.270 nan 0.000 0.437 372 K N 0.358 120.640 120.400 -0.196 0.000 2.182 372 K HA 0.504 4.825 4.320 0.001 0.000 0.262 372 K C -0.560 175.979 176.600 -0.101 0.000 0.957 372 K CA -0.498 55.622 56.287 -0.279 0.000 0.842 372 K CB 2.157 34.188 32.500 -0.781 0.000 1.099 372 K HN 0.212 nan 8.250 nan 0.000 0.438 373 G N 1.681 110.522 108.800 0.069 0.000 2.690 373 G HA2 0.671 4.631 3.960 0.001 0.000 0.291 373 G HA3 0.671 4.631 3.960 0.001 0.000 0.291 373 G C -2.031 172.970 174.900 0.168 0.000 1.403 373 G CA -0.657 44.487 45.100 0.073 0.000 0.864 373 G HN 0.503 nan 8.290 nan 0.000 0.480 374 L N 0.357 121.626 121.223 0.077 0.000 2.445 374 L HA 0.885 5.226 4.340 0.001 0.000 0.262 374 L C -0.371 176.515 176.870 0.027 0.000 0.974 374 L CA -0.781 54.116 54.840 0.094 0.000 0.822 374 L CB 2.057 44.193 42.059 0.128 0.000 1.339 374 L HN 0.939 nan 8.230 nan 0.000 0.409 375 A N 2.324 125.184 122.820 0.067 0.000 2.356 375 A HA 0.883 5.203 4.320 0.001 0.000 0.323 375 A C -0.666 176.979 177.584 0.102 0.000 1.119 375 A CA -0.370 51.704 52.037 0.062 0.000 0.790 375 A CB 1.937 20.976 19.000 0.065 0.000 1.273 375 A HN 0.692 nan 8.150 nan 0.000 0.452 376 T N 0.644 115.262 114.554 0.107 0.000 3.047 376 T HA 0.543 4.893 4.350 0.001 0.000 0.340 376 T C -2.000 172.775 174.700 0.126 0.000 1.421 376 T CA -0.345 61.838 62.100 0.139 0.000 1.090 376 T CB 0.356 69.342 68.868 0.197 0.000 1.292 376 T HN 0.647 nan 8.240 nan 0.000 0.480 377 L N 3.579 124.875 121.223 0.123 0.000 2.388 377 L HA 0.728 5.069 4.340 0.001 0.000 0.264 377 L C 0.534 177.470 176.870 0.110 0.000 0.998 377 L CA -0.874 54.034 54.840 0.113 0.000 0.817 377 L CB 1.584 43.717 42.059 0.123 0.000 1.338 377 L HN 0.945 nan 8.230 nan 0.000 0.414 378 C N 0.765 120.123 119.300 0.096 0.000 2.539 378 C HA 0.775 5.235 4.460 0.001 0.000 0.392 378 C C 0.165 175.225 174.990 0.116 0.000 1.269 378 C CA -0.930 58.147 59.018 0.098 0.000 2.250 378 C CB -0.492 27.301 27.740 0.088 0.000 2.584 378 C HN 0.637 nan 8.230 nan 0.000 0.589 379 I N 2.490 123.131 120.570 0.117 0.000 2.465 379 I HA 0.479 4.649 4.170 0.001 0.000 0.291 379 I C 1.056 177.250 176.117 0.128 0.000 1.014 379 I CA -0.219 61.155 61.300 0.122 0.000 1.093 379 I CB 1.546 39.613 38.000 0.113 0.000 1.267 379 I HN 1.031 nan 8.210 nan 0.000 0.431 380 G N 2.852 111.730 108.800 0.130 0.000 2.554 380 G HA2 0.381 4.341 3.960 0.001 0.000 0.238 380 G HA3 0.381 4.341 3.960 0.001 0.000 0.238 380 G C 0.963 175.947 174.900 0.140 0.000 1.259 380 G CA 0.558 45.736 45.100 0.130 0.000 0.843 380 G HN 1.165 nan 8.290 nan 0.000 0.582 381 G N -0.408 108.504 108.800 0.186 0.000 2.179 381 G HA2 0.240 4.200 3.960 0.001 0.000 0.260 381 G HA3 0.240 4.200 3.960 0.001 0.000 0.260 381 G C 1.188 176.236 174.900 0.247 0.000 0.977 381 G CA 0.895 46.174 45.100 0.298 0.000 0.641 381 G HN 2.763 nan 8.290 nan 0.000 0.533 382 G N -0.959 107.944 108.800 0.172 0.000 2.756 382 G HA2 0.148 4.108 3.960 0.001 0.000 0.272 382 G HA3 0.148 4.108 3.960 0.001 0.000 0.272 382 G C -0.162 174.796 174.900 0.098 0.000 1.128 382 G CA 0.885 46.059 45.100 0.124 0.000 1.145 382 G HN 1.273 nan 8.290 nan 0.000 0.545 383 M N -0.818 118.843 119.600 0.101 0.000 2.755 383 M HA 0.733 5.213 4.480 0.001 0.000 0.273 383 M C 0.249 176.605 176.300 0.093 0.000 1.278 383 M CA -0.340 55.015 55.300 0.091 0.000 0.819 383 M CB 2.469 35.129 32.600 0.099 0.000 1.694 383 M HN 0.838 nan 8.290 nan 0.000 0.460 384 G N 0.193 109.049 108.800 0.092 0.000 2.667 384 G HA2 0.686 4.646 3.960 0.001 0.000 0.298 384 G HA3 0.686 4.646 3.960 0.001 0.000 0.298 384 G C -2.345 172.627 174.900 0.119 0.000 1.377 384 G CA -0.580 44.580 45.100 0.100 0.000 0.964 384 G HN 0.566 nan 8.290 nan 0.000 0.493 385 V N 0.210 120.207 119.914 0.137 0.000 2.876 385 V HA 0.941 5.061 4.120 0.001 0.000 0.312 385 V C -0.399 175.799 176.094 0.173 0.000 1.085 385 V CA -0.036 62.372 62.300 0.179 0.000 0.945 385 V CB 1.694 33.631 31.823 0.191 0.000 1.017 385 V HN 1.715 nan 8.190 nan 0.000 0.428 386 A N 6.331 129.273 122.820 0.204 0.000 2.556 386 A HA 0.971 5.291 4.320 0.001 0.000 0.294 386 A C -1.082 176.634 177.584 0.220 0.000 1.091 386 A CA -0.701 51.445 52.037 0.181 0.000 0.704 386 A CB 2.129 21.219 19.000 0.150 0.000 1.300 386 A HN 1.260 nan 8.150 nan 0.000 0.406 387 M N 1.049 120.753 119.600 0.174 0.000 2.277 387 M HA 0.465 4.946 4.480 0.001 0.000 0.282 387 M C -2.000 174.371 176.300 0.119 0.000 1.074 387 M CA -0.163 55.240 55.300 0.171 0.000 0.954 387 M CB 1.546 34.233 32.600 0.145 0.000 1.672 387 M HN 0.696 nan 8.290 nan 0.000 0.471 388 C N 5.587 124.928 119.300 0.068 0.000 2.307 388 C HA 0.653 5.114 4.460 0.001 0.000 0.340 388 C C -0.185 174.854 174.990 0.082 0.000 1.275 388 C CA -0.716 58.329 59.018 0.045 0.000 1.811 388 C CB -0.083 27.501 27.740 -0.261 0.000 2.372 388 C HN 0.598 nan 8.230 nan 0.000 0.531 389 I N 3.184 123.881 120.570 0.210 0.000 2.474 389 I HA 0.487 4.658 4.170 0.001 0.000 0.294 389 I C 0.010 176.325 176.117 0.330 0.000 1.005 389 I CA -0.164 61.252 61.300 0.193 0.000 1.113 389 I CB 1.543 39.609 38.000 0.110 0.000 1.289 389 I HN 0.708 nan 8.210 nan 0.000 0.436 390 E N 3.451 123.819 120.200 0.280 0.000 2.222 390 E HA 0.463 4.814 4.350 0.001 0.000 0.267 390 E C -0.765 175.899 176.600 0.106 0.000 0.884 390 E CA -0.491 56.052 56.400 0.238 0.000 0.764 390 E CB 1.883 31.791 29.700 0.346 0.000 1.169 390 E HN 0.684 nan 8.360 nan 0.000 0.413 391 S N 3.716 119.446 115.700 0.050 0.000 2.586 391 S HA 0.465 4.936 4.470 0.001 0.000 0.274 391 S C 0.290 174.902 174.600 0.019 0.000 1.281 391 S CA -0.832 57.378 58.200 0.017 0.000 1.035 391 S CB 0.819 64.013 63.200 -0.009 0.000 0.962 391 S HN 0.455 nan 8.310 nan 0.000 0.512 392 L N 0.000 121.229 121.223 0.010 0.000 2.949 392 L HA 0.000 4.340 4.340 0.001 0.000 0.249 392 L CA 0.000 54.847 54.840 0.012 0.000 0.813 392 L CB 0.000 42.066 42.059 0.011 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502