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 2g04_1_A DATA FIRST_RESID 4 DATA SEQUENCE GGPLAGVKVI ELGGIGPGPH AGMVLADLGA DVVRVRRPGG LTMPSEDRDL DATA SEQUENCE LHRGKRIVDL DVXXXPQAML ELAAKADVLL DCFRPGTCER LGIGPDDCAS DATA SEQUENCE VNPRLIFARI TGWGQDGPLA STAGHDINYL SQTGALAAFG YADRPPMPPL DATA SEQUENCE NLVADFGGGS MLVLLGIVVA LYERERSGVG QVVDAAMVDG VSVLAQMMWT DATA SEQUENCE MKGIGSLRDQ RESFLLDGGA PFYRCYETSD GKYMAVGAIE PQFFAALLSG DATA SEQUENCE LGLSAADVPT QLDVAGYPQM YDIFAERFAS RTRDEWTRVF AGTDACVTPV DATA SEQUENCE LAWSEAANND HLKARSTVIT AHGVQQAAPA PRFSRTPAGP VRPPPAAATP DATA SEQUENCE IDEINW 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 4 G C 0.000 174.875 174.900 -0.041 0.000 0.946 4 G CA 0.000 45.087 45.100 -0.021 0.000 0.502 5 G N 2.096 110.858 108.800 -0.063 0.000 2.767 5 G HA2 0.070 4.030 3.960 0.000 0.000 0.686 5 G HA3 0.070 4.030 3.960 0.000 0.000 0.686 5 G C -0.878 173.917 174.900 -0.175 0.000 1.213 5 G CA -0.116 44.914 45.100 -0.116 0.000 0.803 5 G HN 0.481 nan 8.290 nan 0.000 0.603 6 P HA -0.039 nan 4.420 nan 0.000 0.221 6 P C 1.614 178.788 177.300 -0.210 0.000 1.150 6 P CA 0.927 63.829 63.100 -0.329 0.000 0.800 6 P CB 0.224 31.526 31.700 -0.664 0.000 0.787 7 L N -0.760 120.354 121.223 -0.183 0.000 2.653 7 L HA 0.261 4.601 4.340 0.000 0.000 0.232 7 L C 1.005 177.824 176.870 -0.085 0.000 1.169 7 L CA -0.663 54.109 54.840 -0.114 0.000 0.951 7 L CB -0.436 41.567 42.059 -0.093 0.000 1.181 7 L HN -0.132 nan 8.230 nan 0.000 0.460 8 A N -0.082 122.688 122.820 -0.082 0.000 2.546 8 A HA 0.387 4.707 4.320 0.000 0.000 0.243 8 A C 1.389 178.941 177.584 -0.053 0.000 1.063 8 A CA 0.901 52.905 52.037 -0.055 0.000 0.757 8 A CB -0.070 18.901 19.000 -0.047 0.000 0.991 8 A HN 0.609 nan 8.150 nan 0.000 0.503 9 G N 1.002 109.776 108.800 -0.044 0.000 2.213 9 G HA2 -0.162 3.798 3.960 0.000 0.000 0.226 9 G HA3 -0.162 3.798 3.960 0.000 0.000 0.226 9 G C 0.193 175.024 174.900 -0.115 0.000 0.992 9 G CA -0.019 45.044 45.100 -0.062 0.000 0.632 9 G HN 1.441 nan 8.290 nan 0.000 0.511 10 V N 3.236 123.083 119.914 -0.112 0.000 2.470 10 V HA 0.383 4.503 4.120 0.000 0.000 0.276 10 V C 0.311 176.267 176.094 -0.230 0.000 1.040 10 V CA -0.466 61.739 62.300 -0.158 0.000 1.008 10 V CB 1.382 33.139 31.823 -0.110 0.000 0.990 10 V HN 0.257 nan 8.190 nan 0.000 0.477 11 K N 4.975 125.115 120.400 -0.434 0.000 2.276 11 K HA 0.538 4.858 4.320 0.000 0.000 0.285 11 K C -0.717 175.602 176.600 -0.470 0.000 1.062 11 K CA -0.302 55.501 56.287 -0.807 0.000 0.918 11 K CB 1.518 33.064 32.500 -1.590 0.000 1.055 11 K HN 0.417 nan 8.250 nan 0.000 0.477 12 V N 4.095 123.900 119.914 -0.182 0.000 2.656 12 V HA 0.501 4.621 4.120 0.000 0.000 0.307 12 V C 0.036 176.207 176.094 0.130 0.000 1.051 12 V CA -0.959 61.319 62.300 -0.036 0.000 0.893 12 V CB 1.882 33.700 31.823 -0.008 0.000 0.999 12 V HN 0.580 nan 8.190 nan 0.000 0.426 13 I N 2.988 123.598 120.570 0.066 0.000 2.382 13 I HA 0.436 4.606 4.170 0.000 0.000 0.285 13 I C -0.034 176.085 176.117 0.004 0.000 1.007 13 I CA -0.258 61.099 61.300 0.095 0.000 1.142 13 I CB 1.650 39.706 38.000 0.093 0.000 1.289 13 I HN 0.686 nan 8.210 nan 0.000 0.453 14 E N 4.939 125.145 120.200 0.011 0.000 2.200 14 E HA 0.346 4.696 4.350 0.000 0.000 0.283 14 E C -0.431 176.135 176.600 -0.057 0.000 1.015 14 E CA -0.421 55.960 56.400 -0.031 0.000 0.819 14 E CB 1.398 31.101 29.700 0.004 0.000 1.081 14 E HN 0.494 nan 8.360 nan 0.000 0.397 15 L N 2.998 124.135 121.223 -0.143 0.000 2.738 15 L HA 0.313 4.653 4.340 0.000 0.000 0.178 15 L C 1.166 177.782 176.870 -0.424 0.000 1.281 15 L CA 0.728 55.446 54.840 -0.205 0.000 0.864 15 L CB -0.870 41.064 42.059 -0.208 0.000 1.224 15 L HN 0.616 nan 8.230 nan 0.000 0.520 16 G N -0.801 107.465 108.800 -0.889 0.000 2.484 16 G HA2 0.361 4.321 3.960 0.000 0.000 0.235 16 G HA3 0.361 4.321 3.960 0.000 0.000 0.235 16 G C 0.234 174.995 174.900 -0.231 0.000 1.282 16 G CA 0.260 44.904 45.100 -0.760 0.000 0.857 16 G HN 0.445 nan 8.290 nan 0.000 0.571 17 G N 0.374 109.133 108.800 -0.069 0.000 4.928 17 G HA2 0.515 4.475 3.960 0.000 0.000 0.321 17 G HA3 0.515 4.475 3.960 0.000 0.000 0.321 17 G C -0.559 174.384 174.900 0.071 0.000 1.455 17 G CA -0.370 44.758 45.100 0.046 0.000 1.081 17 G HN 0.841 nan 8.290 nan 0.000 0.569 18 I N -1.944 118.654 120.570 0.047 0.000 2.685 18 I HA 0.783 4.953 4.170 0.000 0.000 0.289 18 I C 0.786 176.950 176.117 0.080 0.000 1.292 18 I CA -0.620 60.721 61.300 0.068 0.000 1.050 18 I CB 1.017 39.059 38.000 0.069 0.000 1.301 18 I HN 0.639 nan 8.210 nan 0.000 0.425 19 G N 5.981 114.858 108.800 0.128 0.000 2.629 19 G HA2 -0.261 3.699 3.960 0.000 0.000 0.313 19 G HA3 -0.261 3.699 3.960 0.000 0.000 0.313 19 G C -1.037 174.047 174.900 0.308 0.000 1.217 19 G CA 0.609 45.839 45.100 0.216 0.000 0.994 19 G HN 0.645 nan 8.290 nan 0.000 0.549 20 P HA -0.195 nan 4.420 nan 0.000 0.217 20 P C 2.087 179.492 177.300 0.175 0.000 1.162 20 P CA 3.351 66.597 63.100 0.243 0.000 0.901 20 P CB -0.970 30.785 31.700 0.093 0.000 0.793 21 G N 1.543 110.390 108.800 0.078 0.000 2.672 21 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 21 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 21 G C -0.452 174.477 174.900 0.049 0.000 1.238 21 G CA 2.195 47.310 45.100 0.026 0.000 0.791 21 G HN 0.313 nan 8.290 nan 0.000 0.606 22 P HA -0.164 nan 4.420 nan 0.000 0.218 22 P C 1.404 178.710 177.300 0.011 0.000 1.149 22 P CA 1.656 64.786 63.100 0.050 0.000 0.817 22 P CB -0.317 31.393 31.700 0.017 0.000 0.785 23 H N 0.491 119.542 119.070 -0.031 0.000 2.389 23 H HA -0.006 4.550 4.556 0.000 0.000 0.299 23 H C 1.784 177.081 175.328 -0.051 0.000 1.081 23 H CA 1.528 57.517 56.048 -0.099 0.000 1.345 23 H CB -0.033 29.632 29.762 -0.161 0.000 1.393 23 H HN 0.011 nan 8.280 nan 0.000 0.520 24 A N 0.618 123.425 122.820 -0.022 0.000 1.873 24 A HA -0.068 4.252 4.320 0.000 0.000 0.215 24 A C 2.780 180.313 177.584 -0.086 0.000 1.186 24 A CA 1.374 53.375 52.037 -0.060 0.000 0.616 24 A CB -1.320 17.693 19.000 0.021 0.000 0.823 24 A HN 0.551 nan 8.150 nan 0.000 0.442 25 G N -0.364 108.412 108.800 -0.040 0.000 2.469 25 G HA2 -0.354 3.606 3.960 0.000 0.000 0.219 25 G HA3 -0.354 3.606 3.960 0.000 0.000 0.219 25 G C 1.659 176.535 174.900 -0.041 0.000 1.150 25 G CA 1.455 46.545 45.100 -0.017 0.000 0.763 25 G HN 0.521 nan 8.290 nan 0.000 0.561 26 M N 0.413 119.958 119.600 -0.093 0.000 2.065 26 M HA -0.136 4.344 4.480 0.000 0.000 0.259 26 M C 2.593 178.818 176.300 -0.124 0.000 1.069 26 M CA 1.917 57.149 55.300 -0.114 0.000 1.110 26 M CB -0.289 32.196 32.600 -0.192 0.000 1.328 26 M HN 0.122 nan 8.290 nan 0.000 0.405 27 V N 1.127 120.922 119.914 -0.198 0.000 2.332 27 V HA -0.303 3.817 4.120 0.000 0.000 0.248 27 V C 2.474 178.529 176.094 -0.065 0.000 1.055 27 V CA 1.510 63.727 62.300 -0.139 0.000 1.038 27 V CB -1.064 30.663 31.823 -0.159 0.000 0.651 27 V HN 0.460 nan 8.190 nan 0.000 0.450 28 L N 0.539 121.727 121.223 -0.058 0.000 2.013 28 L HA -0.193 4.147 4.340 0.000 0.000 0.212 28 L C 2.619 179.475 176.870 -0.024 0.000 1.073 28 L CA 2.463 57.283 54.840 -0.033 0.000 0.753 28 L CB -1.439 40.604 42.059 -0.027 0.000 0.890 28 L HN 0.326 nan 8.230 nan 0.000 0.432 29 A N -0.986 121.824 122.820 -0.016 0.000 1.898 29 A HA -0.201 4.119 4.320 0.000 0.000 0.216 29 A C 1.965 179.546 177.584 -0.005 0.000 1.181 29 A CA 1.718 53.755 52.037 0.000 0.000 0.620 29 A CB -0.669 18.340 19.000 0.015 0.000 0.819 29 A HN 0.445 nan 8.150 nan 0.000 0.442 30 D N -0.405 119.986 120.400 -0.015 0.000 2.182 30 D HA -0.104 4.536 4.640 0.000 0.000 0.201 30 D C 1.063 177.362 176.300 -0.001 0.000 0.986 30 D CA 0.926 54.922 54.000 -0.007 0.000 0.847 30 D CB -0.177 40.614 40.800 -0.016 0.000 0.942 30 D HN 0.293 nan 8.370 nan 0.000 0.467 31 L N -0.924 120.291 121.223 -0.014 0.000 2.629 31 L HA 0.297 4.637 4.340 0.000 0.000 0.230 31 L C 1.696 178.523 176.870 -0.071 0.000 1.151 31 L CA 0.427 55.243 54.840 -0.042 0.000 0.924 31 L CB 0.080 42.111 42.059 -0.046 0.000 1.137 31 L HN 0.181 nan 8.230 nan 0.000 0.457 32 G N -1.559 107.217 108.800 -0.039 0.000 2.213 32 G HA2 -0.213 3.747 3.960 0.000 0.000 0.226 32 G HA3 -0.213 3.747 3.960 0.000 0.000 0.226 32 G C 0.652 175.538 174.900 -0.023 0.000 0.992 32 G CA -0.022 45.057 45.100 -0.035 0.000 0.632 32 G HN 0.624 nan 8.290 nan 0.000 0.511 33 A N 0.332 123.137 122.820 -0.025 0.000 2.466 33 A HA 0.460 4.780 4.320 0.000 0.000 0.238 33 A C 0.369 177.969 177.584 0.027 0.000 1.074 33 A CA 0.757 52.785 52.037 -0.016 0.000 0.774 33 A CB 0.290 19.275 19.000 -0.026 0.000 1.015 33 A HN 0.369 nan 8.150 nan 0.000 0.498 34 D N 2.153 122.586 120.400 0.056 0.000 2.494 34 D HA 0.345 4.985 4.640 0.000 0.000 0.217 34 D C -0.672 175.763 176.300 0.226 0.000 1.153 34 D CA 0.014 54.114 54.000 0.167 0.000 0.954 34 D CB 0.283 41.252 40.800 0.282 0.000 1.034 34 D HN 0.131 nan 8.370 nan 0.000 0.518 35 V N 3.168 123.173 119.914 0.151 0.000 2.509 35 V HA 0.340 4.460 4.120 0.000 0.000 0.284 35 V C 0.453 176.634 176.094 0.146 0.000 1.047 35 V CA -0.670 61.715 62.300 0.141 0.000 0.952 35 V CB 1.856 33.722 31.823 0.073 0.000 0.988 35 V HN 0.233 nan 8.190 nan 0.000 0.469 36 V N 5.543 125.557 119.914 0.166 0.000 2.482 36 V HA 0.444 4.564 4.120 0.000 0.000 0.295 36 V C 0.060 176.174 176.094 0.033 0.000 1.026 36 V CA -0.826 61.514 62.300 0.066 0.000 0.856 36 V CB 1.817 33.637 31.823 -0.006 0.000 1.001 36 V HN 0.770 nan 8.190 nan 0.000 0.424 37 R N 2.705 123.191 120.500 -0.024 0.000 2.490 37 R HA 0.577 4.917 4.340 0.000 0.000 0.280 37 R C -0.943 175.332 176.300 -0.041 0.000 1.077 37 R CA -0.241 55.830 56.100 -0.047 0.000 1.065 37 R CB 1.773 31.991 30.300 -0.136 0.000 1.003 37 R HN 0.474 nan 8.270 nan 0.000 0.470 38 V N 5.045 124.951 119.914 -0.013 0.000 2.409 38 V HA 0.440 4.560 4.120 0.000 0.000 0.290 38 V C -0.732 175.386 176.094 0.041 0.000 1.017 38 V CA -0.895 61.411 62.300 0.010 0.000 0.841 38 V CB 1.432 33.278 31.823 0.038 0.000 1.003 38 V HN 0.784 nan 8.190 nan 0.000 0.426 39 R N 3.192 123.709 120.500 0.028 0.000 2.680 39 R HA 0.631 4.971 4.340 0.000 0.000 0.269 39 R C -0.512 175.810 176.300 0.038 0.000 1.026 39 R CA -1.086 55.048 56.100 0.057 0.000 0.889 39 R CB 0.793 31.116 30.300 0.039 0.000 1.241 39 R HN 0.637 nan 8.270 nan 0.000 0.463 40 R N 1.841 122.372 120.500 0.051 0.000 2.756 40 R HA 0.131 4.471 4.340 0.000 0.000 0.264 40 R C -1.645 174.666 176.300 0.018 0.000 1.026 40 R CA -0.855 55.263 56.100 0.030 0.000 1.121 40 R CB -0.078 30.241 30.300 0.031 0.000 0.999 40 R HN 0.584 nan 8.270 nan 0.000 0.449 41 P HA -0.085 nan 4.420 nan 0.000 0.217 41 P C 1.165 178.469 177.300 0.006 0.000 1.151 41 P CA 1.555 64.656 63.100 0.001 0.000 0.828 41 P CB -0.233 31.465 31.700 -0.003 0.000 0.788 42 G N 0.385 109.192 108.800 0.010 0.000 2.916 42 G HA2 0.083 4.043 3.960 0.000 0.000 0.205 42 G HA3 0.083 4.043 3.960 0.000 0.000 0.205 42 G C 0.907 175.819 174.900 0.019 0.000 1.163 42 G CA 0.073 45.181 45.100 0.013 0.000 0.821 42 G HN 0.448 nan 8.290 nan 0.000 0.515 43 G N 0.004 108.817 108.800 0.022 0.000 2.187 43 G HA2 0.175 4.135 3.960 0.000 0.000 0.239 43 G HA3 0.175 4.135 3.960 0.000 0.000 0.239 43 G C 0.271 175.189 174.900 0.030 0.000 1.200 43 G CA -0.330 44.788 45.100 0.031 0.000 0.888 43 G HN 0.207 nan 8.290 nan 0.000 0.482 44 L N 2.866 124.111 121.223 0.038 0.000 2.984 44 L HA 0.200 4.540 4.340 0.000 0.000 0.246 44 L C 1.699 178.594 176.870 0.041 0.000 1.268 44 L CA -0.188 54.673 54.840 0.035 0.000 1.054 44 L CB -0.423 41.656 42.059 0.035 0.000 1.393 44 L HN 0.688 nan 8.230 nan 0.000 0.532 45 T N -1.905 112.676 114.554 0.046 0.000 2.932 45 T HA 0.333 4.683 4.350 0.000 0.000 0.312 45 T C 0.107 174.835 174.700 0.046 0.000 1.071 45 T CA -0.361 61.773 62.100 0.057 0.000 1.128 45 T CB 1.284 70.196 68.868 0.074 0.000 0.984 45 T HN 0.084 nan 8.240 nan 0.000 0.549 46 M N 4.151 123.779 119.600 0.046 0.000 2.213 46 M HA 0.419 4.899 4.480 0.000 0.000 0.286 46 M C -2.623 173.694 176.300 0.029 0.000 1.008 46 M CA -2.224 53.095 55.300 0.032 0.000 0.937 46 M CB 1.665 34.278 32.600 0.023 0.000 1.600 46 M HN 0.787 nan 8.290 nan 0.000 0.450 47 P HA 0.305 nan 4.420 nan 0.000 0.293 47 P C -0.562 176.760 177.300 0.037 0.000 1.304 47 P CA -0.388 62.725 63.100 0.022 0.000 0.767 47 P CB 0.451 32.156 31.700 0.009 0.000 1.247 48 S N -0.480 115.237 115.700 0.028 0.000 2.544 48 S HA -0.040 4.430 4.470 0.000 0.000 0.290 48 S C 1.363 175.992 174.600 0.049 0.000 1.276 48 S CA -0.134 58.083 58.200 0.030 0.000 1.075 48 S CB -0.358 62.852 63.200 0.015 0.000 0.849 48 S HN 0.339 nan 8.310 nan 0.000 0.494 49 E N 3.469 123.705 120.200 0.061 0.000 2.136 49 E HA -0.282 4.068 4.350 0.000 0.000 0.202 49 E C 1.146 177.795 176.600 0.082 0.000 1.019 49 E CA 1.999 58.462 56.400 0.104 0.000 0.819 49 E CB -0.493 29.205 29.700 -0.003 0.000 0.739 49 E HN 0.997 nan 8.360 nan 0.000 0.458 50 D N -0.111 120.306 120.400 0.029 0.000 2.403 50 D HA -0.117 4.523 4.640 0.000 0.000 0.227 50 D C 1.348 177.657 176.300 0.015 0.000 0.995 50 D CA 0.593 54.599 54.000 0.012 0.000 0.928 50 D CB 0.088 40.882 40.800 -0.009 0.000 0.887 50 D HN -0.073 nan 8.370 nan 0.000 0.529 51 R N -0.392 120.125 120.500 0.029 0.000 2.572 51 R HA 0.223 4.563 4.340 0.000 0.000 0.370 51 R C -0.883 175.428 176.300 0.019 0.000 1.005 51 R CA -0.385 55.725 56.100 0.017 0.000 1.146 51 R CB 0.313 30.618 30.300 0.009 0.000 1.390 51 R HN 0.037 nan 8.270 nan 0.000 0.553 52 D N 0.541 120.968 120.400 0.044 0.000 2.454 52 D HA 0.109 4.749 4.640 0.000 0.000 0.225 52 D C 1.056 177.343 176.300 -0.023 0.000 1.081 52 D CA -0.212 53.794 54.000 0.009 0.000 0.864 52 D CB 0.806 41.632 40.800 0.043 0.000 1.040 52 D HN 0.055 nan 8.370 nan 0.000 0.517 53 L N 3.046 124.245 121.223 -0.041 0.000 2.357 53 L HA -0.189 4.151 4.340 0.000 0.000 0.220 53 L C 2.037 178.860 176.870 -0.078 0.000 1.123 53 L CA 0.813 55.629 54.840 -0.040 0.000 0.782 53 L CB -0.103 41.926 42.059 -0.050 0.000 0.910 53 L HN 0.494 nan 8.230 nan 0.000 0.442 54 L N -1.277 119.845 121.223 -0.168 0.000 2.610 54 L HA -0.089 4.251 4.340 0.000 0.000 0.232 54 L C 1.575 178.282 176.870 -0.271 0.000 1.149 54 L CA 0.260 54.952 54.840 -0.246 0.000 0.872 54 L CB -0.430 41.432 42.059 -0.328 0.000 0.992 54 L HN 0.385 nan 8.230 nan 0.000 0.447 55 H N -0.144 118.919 119.070 -0.012 0.000 2.893 55 H HA 0.150 4.706 4.556 0.000 0.000 0.270 55 H C 0.519 175.841 175.328 -0.009 0.000 1.095 55 H CA -0.368 55.673 56.048 -0.012 0.000 1.186 55 H CB 0.321 30.078 29.762 -0.008 0.000 1.562 55 H HN 0.336 nan 8.280 nan 0.000 0.536 56 R N 0.632 121.185 120.500 0.090 0.000 2.583 56 R HA 0.142 4.482 4.340 0.000 0.000 0.274 56 R C 0.969 177.303 176.300 0.056 0.000 0.998 56 R CA 1.045 57.185 56.100 0.067 0.000 1.081 56 R CB 0.041 30.377 30.300 0.060 0.000 0.940 56 R HN 0.214 nan 8.270 nan 0.000 0.413 57 G N 1.488 110.318 108.800 0.050 0.000 2.184 57 G HA2 -0.350 3.610 3.960 0.000 0.000 0.264 57 G HA3 -0.350 3.610 3.960 0.000 0.000 0.264 57 G C -0.198 174.724 174.900 0.038 0.000 0.975 57 G CA 0.887 46.012 45.100 0.042 0.000 0.642 57 G HN 0.649 nan 8.290 nan 0.000 0.536 58 K N -0.525 119.900 120.400 0.042 0.000 2.267 58 K HA 0.799 5.119 4.320 0.000 0.000 0.236 58 K C 0.469 177.068 176.600 -0.002 0.000 1.030 58 K CA -0.790 55.518 56.287 0.034 0.000 0.930 58 K CB 0.920 33.454 32.500 0.056 0.000 1.182 58 K HN 0.140 nan 8.250 nan 0.000 0.474 59 R N 1.151 121.637 120.500 -0.023 0.000 2.502 59 R HA 0.376 4.716 4.340 0.000 0.000 0.300 59 R C -0.785 175.464 176.300 -0.085 0.000 0.984 59 R CA -0.806 55.260 56.100 -0.058 0.000 0.882 59 R CB 1.021 31.279 30.300 -0.070 0.000 1.180 59 R HN 0.404 nan 8.270 nan 0.000 0.444 60 I N 3.100 123.609 120.570 -0.101 0.000 2.581 60 I HA 0.294 4.465 4.170 0.000 0.000 0.288 60 I C 0.221 176.282 176.117 -0.092 0.000 1.047 60 I CA -0.562 60.669 61.300 -0.114 0.000 1.374 60 I CB 1.470 39.395 38.000 -0.125 0.000 1.423 60 I HN 0.276 nan 8.210 nan 0.000 0.549 61 V N 4.843 124.708 119.914 -0.081 0.000 2.567 61 V HA 0.197 4.317 4.120 0.000 0.000 0.298 61 V C -0.530 175.536 176.094 -0.047 0.000 1.047 61 V CA -1.036 61.221 62.300 -0.071 0.000 0.880 61 V CB 2.012 33.783 31.823 -0.086 0.000 1.009 61 V HN 0.628 nan 8.190 nan 0.000 0.429 62 D N 4.390 124.765 120.400 -0.040 0.000 2.458 62 D HA 0.381 5.021 4.640 0.000 0.000 0.243 62 D C -0.280 176.010 176.300 -0.017 0.000 1.146 62 D CA 0.281 54.267 54.000 -0.024 0.000 0.877 62 D CB 2.004 42.790 40.800 -0.022 0.000 1.176 62 D HN 0.335 nan 8.370 nan 0.000 0.461 63 L N 2.946 124.168 121.223 -0.002 0.000 2.691 63 L HA 0.036 4.376 4.340 0.000 0.000 0.239 63 L C -0.843 176.038 176.870 0.018 0.000 1.062 63 L CA -0.442 54.401 54.840 0.005 0.000 1.002 63 L CB 0.803 42.864 42.059 0.005 0.000 1.232 63 L HN 0.270 nan 8.230 nan 0.000 0.542 64 D N 2.089 122.496 120.400 0.012 0.000 2.443 64 D HA 0.309 4.949 4.640 0.000 0.000 0.239 64 D C -0.406 175.899 176.300 0.008 0.000 1.136 64 D CA 0.369 54.376 54.000 0.011 0.000 0.879 64 D CB 1.422 42.224 40.800 0.003 0.000 1.195 64 D HN 0.262 nan 8.370 nan 0.000 0.443 70 Q N 1.037 120.846 119.800 0.015 0.000 2.373 70 Q HA 0.129 4.469 4.340 0.000 0.000 0.206 70 Q C 0.875 176.892 176.000 0.029 0.000 0.942 70 Q CA 1.112 56.930 55.803 0.024 0.000 0.953 70 Q CB -0.235 28.518 28.738 0.024 0.000 1.022 70 Q HN 0.441 nan 8.270 nan 0.000 0.502 71 A N 0.710 123.543 122.820 0.022 0.000 2.272 71 A HA -0.074 4.246 4.320 0.000 0.000 0.213 71 A C 1.873 179.476 177.584 0.031 0.000 1.183 71 A CA 1.044 53.094 52.037 0.023 0.000 0.719 71 A CB -0.715 18.293 19.000 0.014 0.000 0.771 71 A HN 0.537 nan 8.150 nan 0.000 0.484 72 M N -1.092 118.532 119.600 0.040 0.000 2.447 72 M HA 0.111 4.591 4.480 0.000 0.000 0.264 72 M C 1.397 177.738 176.300 0.067 0.000 1.095 72 M CA 0.874 56.206 55.300 0.052 0.000 1.125 72 M CB -0.156 32.480 32.600 0.059 0.000 1.389 72 M HN 0.418 nan 8.290 nan 0.000 0.459 73 L N 0.375 121.637 121.223 0.064 0.000 2.187 73 L HA -0.229 4.111 4.340 0.000 0.000 0.213 73 L C 1.897 178.808 176.870 0.068 0.000 1.100 73 L CA 1.413 56.296 54.840 0.071 0.000 0.765 73 L CB -0.710 41.386 42.059 0.061 0.000 0.904 73 L HN 0.385 nan 8.230 nan 0.000 0.437 74 E N -0.163 120.073 120.200 0.059 0.000 2.274 74 E HA -0.178 4.172 4.350 0.000 0.000 0.194 74 E C 2.195 178.843 176.600 0.080 0.000 0.996 74 E CA 0.666 57.101 56.400 0.058 0.000 0.840 74 E CB 0.025 29.750 29.700 0.042 0.000 0.772 74 E HN 0.511 nan 8.360 nan 0.000 0.491 75 L N 0.490 121.769 121.223 0.093 0.000 2.145 75 L HA 0.037 4.377 4.340 0.000 0.000 0.201 75 L C 2.425 179.411 176.870 0.194 0.000 1.075 75 L CA 0.787 55.713 54.840 0.144 0.000 0.773 75 L CB -0.194 41.934 42.059 0.114 0.000 0.936 75 L HN 0.107 nan 8.230 nan 0.000 0.451 76 A N 0.247 123.149 122.820 0.137 0.000 1.892 76 A HA -0.278 4.042 4.320 0.000 0.000 0.218 76 A C 2.393 180.025 177.584 0.080 0.000 1.188 76 A CA 1.899 54.000 52.037 0.107 0.000 0.631 76 A CB -1.062 17.991 19.000 0.088 0.000 0.822 76 A HN 0.549 nan 8.150 nan 0.000 0.447 77 A N -0.451 122.416 122.820 0.080 0.000 2.093 77 A HA -0.213 4.107 4.320 0.000 0.000 0.222 77 A C 1.977 179.590 177.584 0.049 0.000 1.162 77 A CA 2.009 54.081 52.037 0.058 0.000 0.655 77 A CB -0.409 18.625 19.000 0.057 0.000 0.805 77 A HN 0.655 nan 8.150 nan 0.000 0.461 78 K N -1.063 119.391 120.400 0.090 0.000 2.354 78 K HA 0.407 4.727 4.320 0.000 0.000 0.194 78 K C 0.709 177.271 176.600 -0.062 0.000 1.045 78 K CA 0.378 56.718 56.287 0.088 0.000 1.026 78 K CB 0.270 32.913 32.500 0.239 0.000 0.866 78 K HN 0.392 nan 8.250 nan 0.000 0.530 79 A N 1.313 124.075 122.820 -0.097 0.000 2.264 79 A HA 0.180 4.500 4.320 0.000 0.000 0.304 79 A C 0.046 177.468 177.584 -0.271 0.000 1.100 79 A CA -0.530 51.272 52.037 -0.392 0.000 0.839 79 A CB 0.534 19.378 19.000 -0.260 0.000 1.121 79 A HN -0.001 nan 8.150 nan 0.000 0.496 80 D N -0.644 119.557 120.400 -0.333 0.000 2.259 80 D HA 0.127 4.767 4.640 0.000 0.000 0.216 80 D C 0.164 176.383 176.300 -0.135 0.000 0.961 80 D CA 1.380 55.260 54.000 -0.201 0.000 0.878 80 D CB 0.286 40.961 40.800 -0.208 0.000 1.009 80 D HN 0.267 nan 8.370 nan 0.000 0.490 81 V N 1.269 121.091 119.914 -0.153 0.000 2.735 81 V HA 0.437 4.557 4.120 0.000 0.000 0.310 81 V C -0.784 175.239 176.094 -0.118 0.000 1.061 81 V CA -1.033 61.202 62.300 -0.108 0.000 0.913 81 V CB 2.768 34.537 31.823 -0.091 0.000 1.005 81 V HN -0.084 nan 8.190 nan 0.000 0.428 82 L N 4.455 125.581 121.223 -0.163 0.000 2.372 82 L HA 0.629 4.969 4.340 0.000 0.000 0.273 82 L C -0.902 175.776 176.870 -0.320 0.000 0.989 82 L CA -0.403 54.286 54.840 -0.251 0.000 0.841 82 L CB 1.365 43.184 42.059 -0.400 0.000 1.225 82 L HN 0.677 nan 8.230 nan 0.000 0.414 83 L N 4.847 125.945 121.223 -0.208 0.000 2.358 83 L HA 0.382 4.722 4.340 0.000 0.000 0.274 83 L C -0.382 176.361 176.870 -0.211 0.000 1.136 83 L CA -0.087 54.646 54.840 -0.178 0.000 0.970 83 L CB 0.124 42.124 42.059 -0.099 0.000 1.314 83 L HN 0.669 nan 8.230 nan 0.000 0.427 84 D N 2.684 122.930 120.400 -0.256 0.000 2.383 84 D HA 0.087 4.727 4.640 0.000 0.000 0.252 84 D C 0.189 176.405 176.300 -0.140 0.000 1.166 84 D CA -0.026 53.872 54.000 -0.169 0.000 0.879 84 D CB 0.835 41.627 40.800 -0.013 0.000 1.164 84 D HN 0.609 nan 8.370 nan 0.000 0.462 85 C N 4.076 123.194 119.300 -0.304 0.000 3.255 85 C HA 0.372 4.832 4.460 0.000 0.000 0.282 85 C C 0.180 175.021 174.990 -0.248 0.000 1.441 85 C CA -0.720 58.141 59.018 -0.262 0.000 1.785 85 C CB -1.771 25.797 27.740 -0.288 0.000 2.583 85 C HN 0.474 nan 8.230 nan 0.000 0.615 86 F N 1.285 121.262 119.950 0.045 0.000 2.380 86 F HA 0.444 4.971 4.527 -0.000 0.000 0.319 86 F C 1.250 177.082 175.800 0.054 0.000 1.113 86 F CA -0.877 57.153 58.000 0.049 0.000 1.056 86 F CB 0.490 39.524 39.000 0.056 0.000 1.289 86 F HN -0.127 nan 8.300 nan 0.000 0.515 87 R N 0.711 121.378 120.500 0.280 0.000 2.861 87 R HA 0.100 4.440 4.340 0.000 0.000 0.268 87 R C -2.456 173.945 176.300 0.168 0.000 1.027 87 R CA -1.208 54.998 56.100 0.176 0.000 1.163 87 R CB -0.581 29.806 30.300 0.145 0.000 1.060 87 R HN 0.189 nan 8.270 nan 0.000 0.483 88 P HA 0.061 nan 4.420 nan 0.000 0.271 88 P C 0.686 178.043 177.300 0.096 0.000 1.216 88 P CA 0.807 63.976 63.100 0.115 0.000 0.771 88 P CB 0.705 32.462 31.700 0.095 0.000 0.864 89 G N 2.272 111.125 108.800 0.088 0.000 2.812 89 G HA2 -0.354 3.606 3.960 0.000 0.000 0.219 89 G HA3 -0.354 3.606 3.960 0.000 0.000 0.219 89 G C 1.446 176.381 174.900 0.058 0.000 1.275 89 G CA 0.705 45.840 45.100 0.059 0.000 0.769 89 G HN 0.577 nan 8.290 nan 0.000 0.527 90 T N -1.006 113.583 114.554 0.059 0.000 2.685 90 T HA -0.288 4.062 4.350 0.000 0.000 0.268 90 T C 2.423 177.121 174.700 -0.004 0.000 1.034 90 T CA 2.636 64.737 62.100 0.001 0.000 1.149 90 T CB -1.192 67.659 68.868 -0.029 0.000 0.860 90 T HN 1.284 nan 8.240 nan 0.000 0.449 91 C N 2.789 122.160 119.300 0.118 0.000 2.429 91 C HA -0.019 4.441 4.460 0.000 0.000 0.277 91 C C 2.823 177.899 174.990 0.143 0.000 1.262 91 C CA 1.215 60.351 59.018 0.197 0.000 1.733 91 C CB -1.147 26.826 27.740 0.388 0.000 2.010 91 C HN 0.772 nan 8.230 nan 0.000 0.483 92 E N -0.161 120.101 120.200 0.103 0.000 2.479 92 E HA -0.070 4.280 4.350 0.000 0.000 0.193 92 E C 1.966 178.582 176.600 0.027 0.000 1.049 92 E CA 0.070 56.504 56.400 0.057 0.000 0.870 92 E CB -0.483 29.226 29.700 0.015 0.000 0.944 92 E HN 0.621 nan 8.360 nan 0.000 0.492 93 R N 0.563 121.073 120.500 0.017 0.000 2.193 93 R HA 0.148 4.488 4.340 0.000 0.000 0.213 93 R C 1.013 177.308 176.300 -0.008 0.000 1.055 93 R CA 0.258 56.357 56.100 -0.002 0.000 0.995 93 R CB 0.175 30.467 30.300 -0.014 0.000 0.893 93 R HN 0.117 nan 8.270 nan 0.000 0.459 94 L N -2.585 118.634 121.223 -0.006 0.000 2.635 94 L HA 0.317 4.657 4.340 0.000 0.000 0.250 94 L C 1.911 178.794 176.870 0.020 0.000 1.117 94 L CA -0.286 54.550 54.840 -0.006 0.000 0.834 94 L CB 0.284 42.327 42.059 -0.026 0.000 1.544 94 L HN 0.059 nan 8.230 nan 0.000 0.511 95 G N 0.572 109.387 108.800 0.025 0.000 2.476 95 G HA2 -0.145 3.815 3.960 0.000 0.000 0.218 95 G HA3 -0.145 3.815 3.960 0.000 0.000 0.218 95 G C 0.779 175.717 174.900 0.062 0.000 1.164 95 G CA 0.597 45.719 45.100 0.037 0.000 0.768 95 G HN 0.538 nan 8.290 nan 0.000 0.560 96 I N -1.108 119.516 120.570 0.089 0.000 3.112 96 I HA 0.536 4.706 4.170 0.000 0.000 0.284 96 I C 0.521 176.744 176.117 0.176 0.000 1.227 96 I CA 0.060 61.449 61.300 0.149 0.000 1.369 96 I CB 0.338 38.445 38.000 0.179 0.000 1.376 96 I HN 0.387 nan 8.210 nan 0.000 0.608 97 G N 2.698 111.654 108.800 0.260 0.000 2.358 97 G HA2 0.251 4.211 3.960 0.000 0.000 0.303 97 G HA3 0.251 4.211 3.960 0.000 0.000 0.303 97 G C -2.725 172.131 174.900 -0.074 0.000 1.537 97 G CA -0.642 44.530 45.100 0.121 0.000 0.928 97 G HN 0.363 nan 8.290 nan 0.000 0.656 98 P HA -0.108 nan 4.420 nan 0.000 0.216 98 P C 1.215 178.390 177.300 -0.208 0.000 1.154 98 P CA 1.708 64.398 63.100 -0.683 0.000 0.865 98 P CB 0.242 31.502 31.700 -0.735 0.000 0.789 99 D N -0.626 119.687 120.400 -0.145 0.000 2.077 99 D HA -0.150 4.490 4.640 0.000 0.000 0.193 99 D C 1.609 177.900 176.300 -0.014 0.000 0.989 99 D CA 1.191 55.153 54.000 -0.063 0.000 0.831 99 D CB -0.950 39.819 40.800 -0.052 0.000 0.979 99 D HN 0.195 nan 8.370 nan 0.000 0.449 100 D N 0.702 121.105 120.400 0.006 0.000 2.116 100 D HA -0.152 4.488 4.640 0.000 0.000 0.193 100 D C 2.341 178.676 176.300 0.058 0.000 0.998 100 D CA 0.823 54.843 54.000 0.035 0.000 0.836 100 D CB -0.617 40.212 40.800 0.049 0.000 0.951 100 D HN 0.231 nan 8.370 nan 0.000 0.449 101 C N 1.358 120.716 119.300 0.097 0.000 2.425 101 C HA -0.049 4.411 4.460 0.000 0.000 0.277 101 C C 3.039 178.081 174.990 0.087 0.000 1.280 101 C CA 0.569 59.663 59.018 0.128 0.000 1.744 101 C CB -1.068 26.820 27.740 0.247 0.000 1.989 101 C HN 0.392 nan 8.230 nan 0.000 0.491 102 A N 0.850 123.706 122.820 0.060 0.000 1.892 102 A HA -0.210 4.110 4.320 0.000 0.000 0.218 102 A C 2.246 179.847 177.584 0.029 0.000 1.188 102 A CA 2.538 54.597 52.037 0.036 0.000 0.631 102 A CB -0.867 18.138 19.000 0.009 0.000 0.822 102 A HN 0.590 nan 8.150 nan 0.000 0.447 103 S N -0.454 115.261 115.700 0.025 0.000 2.353 103 S HA -0.176 4.294 4.470 0.000 0.000 0.222 103 S C 2.020 176.636 174.600 0.026 0.000 1.035 103 S CA 1.841 60.054 58.200 0.021 0.000 1.025 103 S CB -0.940 62.272 63.200 0.019 0.000 0.902 103 S HN 0.986 nan 8.310 nan 0.000 0.440 104 V N -0.173 119.763 119.914 0.036 0.000 2.667 104 V HA 0.162 4.282 4.120 0.000 0.000 0.252 104 V C 0.583 176.698 176.094 0.035 0.000 1.065 104 V CA 1.110 63.432 62.300 0.037 0.000 1.083 104 V CB -0.696 31.156 31.823 0.048 0.000 0.692 104 V HN 0.518 nan 8.190 nan 0.000 0.468 105 N N 0.644 119.367 118.700 0.037 0.000 2.699 105 N HA 0.287 5.027 4.740 0.000 0.000 0.271 105 N C -2.629 172.898 175.510 0.029 0.000 1.216 105 N CA -0.666 52.401 53.050 0.028 0.000 0.844 105 N CB 2.192 40.695 38.487 0.027 0.000 1.462 105 N HN 0.049 nan 8.380 nan 0.000 0.555 106 P HA 0.017 nan 4.420 nan 0.000 0.245 106 P C 0.481 177.788 177.300 0.011 0.000 1.212 106 P CA 0.286 63.395 63.100 0.016 0.000 0.774 106 P CB 0.321 32.026 31.700 0.008 0.000 0.999 107 R N -0.724 119.778 120.500 0.003 0.000 2.300 107 R HA 0.178 4.518 4.340 0.000 0.000 0.199 107 R C 0.870 177.165 176.300 -0.008 0.000 0.920 107 R CA -0.542 55.553 56.100 -0.010 0.000 1.046 107 R CB -0.717 29.568 30.300 -0.026 0.000 0.984 107 R HN 0.240 nan 8.270 nan 0.000 0.493 108 L N 1.967 123.198 121.223 0.013 0.000 2.456 108 L HA 0.119 4.459 4.340 0.000 0.000 0.272 108 L C -0.117 176.784 176.870 0.051 0.000 1.189 108 L CA 0.324 55.179 54.840 0.025 0.000 0.846 108 L CB 0.458 42.555 42.059 0.064 0.000 1.111 108 L HN -0.082 nan 8.230 nan 0.000 0.475 109 I N 6.197 126.786 120.570 0.032 0.000 2.337 109 I HA 0.115 4.285 4.170 0.000 0.000 0.285 109 I C -0.406 175.758 176.117 0.079 0.000 1.041 109 I CA -0.132 61.200 61.300 0.053 0.000 1.199 109 I CB 0.127 38.134 38.000 0.012 0.000 1.370 109 I HN 0.535 nan 8.210 nan 0.000 0.470 110 F N 5.909 125.861 119.950 0.004 0.000 2.515 110 F HA 0.506 5.033 4.527 -0.000 0.000 0.353 110 F C 0.881 176.689 175.800 0.013 0.000 1.213 110 F CA -0.456 57.551 58.000 0.013 0.000 1.194 110 F CB 0.436 39.447 39.000 0.018 0.000 1.488 110 F HN 0.566 nan 8.300 nan 0.000 0.619 111 A N 6.281 129.124 122.820 0.038 0.000 2.340 111 A HA 0.739 5.059 4.320 0.000 0.000 0.268 111 A C -0.309 177.316 177.584 0.067 0.000 1.100 111 A CA -0.583 51.489 52.037 0.060 0.000 0.803 111 A CB 0.566 19.563 19.000 -0.006 0.000 1.043 111 A HN 0.796 nan 8.150 nan 0.000 0.488 112 R N 1.592 122.154 120.500 0.103 0.000 2.531 112 R HA 0.388 4.728 4.340 0.000 0.000 0.293 112 R C -1.897 174.429 176.300 0.043 0.000 1.124 112 R CA -0.471 55.690 56.100 0.101 0.000 0.945 112 R CB 1.172 31.590 30.300 0.197 0.000 1.195 112 R HN 0.582 nan 8.270 nan 0.000 0.433 113 I N 1.723 122.296 120.570 0.005 0.000 2.315 113 I HA 0.410 4.580 4.170 0.000 0.000 0.291 113 I C 0.126 176.210 176.117 -0.054 0.000 1.006 113 I CA -0.065 61.221 61.300 -0.023 0.000 1.265 113 I CB 1.740 39.727 38.000 -0.021 0.000 1.387 113 I HN 0.443 nan 8.210 nan 0.000 0.475 114 T N 3.086 117.578 114.554 -0.104 0.000 2.900 114 T HA 0.435 4.785 4.350 0.000 0.000 0.303 114 T C 0.991 175.437 174.700 -0.423 0.000 1.142 114 T CA -0.461 61.533 62.100 -0.177 0.000 1.007 114 T CB 1.866 70.686 68.868 -0.081 0.000 1.156 114 T HN 0.725 nan 8.240 nan 0.000 0.490 115 G N -0.456 107.869 108.800 -0.792 0.000 2.396 115 G HA2 -0.038 3.922 3.960 0.000 0.000 0.214 115 G HA3 -0.038 3.922 3.960 0.000 0.000 0.214 115 G C 0.712 174.850 174.900 -1.270 0.000 1.166 115 G CA 0.117 44.027 45.100 -1.984 0.000 0.793 115 G HN 0.831 nan 8.290 nan 0.000 0.533 116 W N 0.244 121.314 121.300 -0.383 0.000 3.107 116 W HA 0.451 5.111 4.660 0.000 0.000 0.293 116 W C 1.380 177.835 176.519 -0.106 0.000 1.239 116 W CA -0.030 57.219 57.345 -0.161 0.000 1.653 116 W CB 0.630 30.065 29.460 -0.042 0.000 1.068 116 W HN 0.496 nan 8.180 nan 0.000 0.615 117 G N 0.763 109.605 108.800 0.070 0.000 2.685 117 G HA2 -0.250 3.710 3.960 0.000 0.000 0.387 117 G HA3 -0.250 3.710 3.960 0.000 0.000 0.387 117 G C 0.350 175.297 174.900 0.078 0.000 1.324 117 G CA -0.152 44.979 45.100 0.052 0.000 0.878 117 G HN -0.014 nan 8.290 nan 0.000 0.527 118 Q N 0.108 119.943 119.800 0.057 0.000 2.061 118 Q HA 0.103 4.443 4.340 0.000 0.000 0.195 118 Q C 0.941 176.969 176.000 0.047 0.000 0.967 118 Q CA 1.690 57.526 55.803 0.055 0.000 0.829 118 Q CB -0.245 28.516 28.738 0.037 0.000 0.900 118 Q HN 0.694 nan 8.270 nan 0.000 0.450 119 D N -0.395 120.025 120.400 0.034 0.000 2.383 119 D HA 0.509 5.149 4.640 0.000 0.000 0.248 119 D C 0.324 176.636 176.300 0.021 0.000 1.170 119 D CA 0.739 54.751 54.000 0.020 0.000 0.977 119 D CB 0.782 41.587 40.800 0.008 0.000 1.120 119 D HN 0.274 nan 8.370 nan 0.000 0.481 120 G N 0.164 108.964 108.800 0.001 0.000 2.587 120 G HA2 -0.086 3.874 3.960 0.000 0.000 0.686 120 G HA3 -0.086 3.874 3.960 0.000 0.000 0.686 120 G C -1.930 172.945 174.900 -0.041 0.000 1.236 120 G CA -0.424 44.664 45.100 -0.019 0.000 0.820 120 G HN 0.341 nan 8.290 nan 0.000 0.645 121 P HA -0.046 nan 4.420 nan 0.000 0.215 121 P C 2.169 179.385 177.300 -0.141 0.000 1.157 121 P CA 1.136 64.181 63.100 -0.092 0.000 0.863 121 P CB 0.130 31.770 31.700 -0.101 0.000 0.787 122 L N -0.607 120.463 121.223 -0.255 0.000 2.362 122 L HA -0.084 4.256 4.340 0.000 0.000 0.219 122 L C 2.750 179.455 176.870 -0.274 0.000 1.134 122 L CA 0.821 55.375 54.840 -0.477 0.000 0.807 122 L CB -1.018 40.407 42.059 -1.056 0.000 0.927 122 L HN -0.054 nan 8.230 nan 0.000 0.447 123 A N 0.682 123.474 122.820 -0.047 0.000 1.940 123 A HA -0.329 3.991 4.320 0.000 0.000 0.221 123 A C 2.518 180.197 177.584 0.158 0.000 1.190 123 A CA 2.608 54.720 52.037 0.125 0.000 0.647 123 A CB -0.734 18.312 19.000 0.077 0.000 0.821 123 A HN 0.573 nan 8.150 nan 0.000 0.457 124 S N -1.830 113.918 115.700 0.081 0.000 2.414 124 S HA 0.025 4.495 4.470 0.000 0.000 0.227 124 S C 1.040 175.719 174.600 0.132 0.000 1.022 124 S CA 0.846 59.101 58.200 0.093 0.000 0.958 124 S CB -0.883 62.345 63.200 0.047 0.000 0.797 124 S HN 0.398 nan 8.310 nan 0.000 0.493 125 T N 3.091 117.713 114.554 0.113 0.000 2.937 125 T HA 0.493 4.843 4.350 0.000 0.000 0.316 125 T C 0.277 175.202 174.700 0.375 0.000 1.079 125 T CA 0.407 62.606 62.100 0.164 0.000 1.131 125 T CB 0.576 69.456 68.868 0.021 0.000 1.000 125 T HN 0.578 nan 8.240 nan 0.000 0.549 126 A N 1.981 124.975 122.820 0.290 0.000 2.293 126 A HA 0.826 5.146 4.320 0.000 0.000 0.302 126 A C 0.572 178.341 177.584 0.307 0.000 1.119 126 A CA -0.016 52.175 52.037 0.257 0.000 0.823 126 A CB 0.737 19.828 19.000 0.153 0.000 1.097 126 A HN 1.121 nan 8.150 nan 0.000 0.491 127 G N -0.217 108.666 108.800 0.138 0.000 2.506 127 G HA2 0.547 4.507 3.960 0.000 0.000 0.292 127 G HA3 0.547 4.507 3.960 0.000 0.000 0.292 127 G C -1.547 173.036 174.900 -0.527 0.000 1.425 127 G CA -0.648 44.432 45.100 -0.034 0.000 0.788 127 G HN 0.906 nan 8.290 nan 0.000 0.490 128 H N -1.071 117.604 119.070 -0.659 0.000 2.869 128 H HA 0.441 4.997 4.556 0.000 0.000 0.342 128 H C 1.055 175.744 175.328 -1.065 0.000 1.250 128 H CA -0.057 55.565 56.048 -0.711 0.000 1.217 128 H CB 2.113 31.683 29.762 -0.319 0.000 1.917 128 H HN 0.520 nan 8.280 nan 0.000 0.586 129 D N 0.612 120.749 120.400 -0.438 0.000 2.160 129 D HA -0.226 4.414 4.640 0.000 0.000 0.189 129 D C 2.020 178.172 176.300 -0.247 0.000 1.003 129 D CA 2.013 55.837 54.000 -0.294 0.000 0.846 129 D CB 0.121 40.823 40.800 -0.163 0.000 0.949 129 D HN 0.511 nan 8.370 nan 0.000 0.446 130 I N 0.631 121.101 120.570 -0.166 0.000 2.248 130 I HA -0.319 3.851 4.170 0.000 0.000 0.248 130 I C 1.998 178.060 176.117 -0.091 0.000 1.107 130 I CA 1.233 62.483 61.300 -0.084 0.000 1.373 130 I CB -0.166 37.801 38.000 -0.055 0.000 1.055 130 I HN 0.079 nan 8.210 nan 0.000 0.418 131 N N 0.290 118.867 118.700 -0.204 0.000 2.080 131 N HA -0.212 4.528 4.740 0.000 0.000 0.189 131 N C 1.779 177.299 175.510 0.017 0.000 1.036 131 N CA 1.623 54.621 53.050 -0.088 0.000 0.846 131 N CB -0.686 37.747 38.487 -0.090 0.000 1.015 131 N HN 0.386 nan 8.380 nan 0.000 0.423 132 Y N 1.618 121.822 120.300 -0.161 0.000 2.241 132 Y HA -0.043 4.507 4.550 0.000 0.000 0.286 132 Y C 2.419 178.321 175.900 0.004 0.000 1.166 132 Y CA 0.323 58.274 58.100 -0.248 0.000 1.203 132 Y CB -1.076 37.131 38.460 -0.422 0.000 0.977 132 Y HN 0.029 nan 8.280 nan 0.000 0.529 133 L N -0.259 121.038 121.223 0.123 0.000 2.275 133 L HA -0.161 4.179 4.340 0.000 0.000 0.215 133 L C 2.475 179.389 176.870 0.073 0.000 1.119 133 L CA 1.379 56.276 54.840 0.095 0.000 0.790 133 L CB -0.649 41.464 42.059 0.090 0.000 0.919 133 L HN 0.326 nan 8.230 nan 0.000 0.443 134 S N -1.094 114.669 115.700 0.105 0.000 2.423 134 S HA -0.154 4.316 4.470 0.000 0.000 0.231 134 S C 1.865 176.531 174.600 0.110 0.000 1.014 134 S CA 0.525 58.777 58.200 0.088 0.000 0.965 134 S CB -0.088 63.173 63.200 0.101 0.000 0.785 134 S HN 0.391 nan 8.310 nan 0.000 0.495 135 Q N 1.456 121.377 119.800 0.201 0.000 2.212 135 Q HA 0.029 4.369 4.340 0.000 0.000 0.199 135 Q C 2.480 178.573 176.000 0.156 0.000 0.950 135 Q CA 1.769 57.688 55.803 0.193 0.000 0.863 135 Q CB -1.155 27.771 28.738 0.314 0.000 0.944 135 Q HN 0.904 nan 8.270 nan 0.000 0.465 136 T N -2.952 111.692 114.554 0.151 0.000 3.055 136 T HA 0.140 4.490 4.350 0.000 0.000 0.265 136 T C 1.473 176.207 174.700 0.057 0.000 1.111 136 T CA 1.145 63.329 62.100 0.140 0.000 1.118 136 T CB 0.049 68.991 68.868 0.124 0.000 0.909 136 T HN 0.411 nan 8.240 nan 0.000 0.501 137 G N 0.518 109.301 108.800 -0.029 0.000 2.175 137 G HA2 -0.190 3.770 3.960 0.000 0.000 0.244 137 G HA3 -0.190 3.770 3.960 0.000 0.000 0.244 137 G C 1.138 175.864 174.900 -0.290 0.000 0.982 137 G CA 0.336 45.351 45.100 -0.141 0.000 0.641 137 G HN 1.067 nan 8.290 nan 0.000 0.527 138 A N -0.284 122.354 122.820 -0.303 0.000 1.929 138 A HA 0.401 4.721 4.320 0.000 0.000 0.216 138 A C 2.318 179.305 177.584 -0.994 0.000 1.176 138 A CA 2.137 53.843 52.037 -0.551 0.000 0.628 138 A CB -0.237 18.563 19.000 -0.334 0.000 0.816 138 A HN 1.294 nan 8.150 nan 0.000 0.444 139 L N -0.054 120.839 121.223 -0.551 0.000 2.056 139 L HA 0.014 4.354 4.340 0.000 0.000 0.207 139 L C 2.441 179.111 176.870 -0.333 0.000 1.078 139 L CA 2.148 56.747 54.840 -0.402 0.000 0.749 139 L CB -0.679 41.344 42.059 -0.060 0.000 0.901 139 L HN 0.293 nan 8.230 nan 0.000 0.433 140 A N -0.848 121.815 122.820 -0.262 0.000 2.216 140 A HA 0.187 4.507 4.320 0.000 0.000 0.214 140 A C 2.001 179.461 177.584 -0.206 0.000 1.160 140 A CA 1.116 53.049 52.037 -0.173 0.000 0.725 140 A CB -0.899 18.020 19.000 -0.135 0.000 0.784 140 A HN 0.548 nan 8.150 nan 0.000 0.472 141 A N -1.327 121.275 122.820 -0.363 0.000 2.465 141 A HA 0.584 4.904 4.320 0.000 0.000 0.255 141 A C 0.169 177.689 177.584 -0.106 0.000 1.274 141 A CA -0.449 51.418 52.037 -0.284 0.000 0.920 141 A CB -0.058 18.715 19.000 -0.378 0.000 1.033 141 A HN 0.367 nan 8.150 nan 0.000 0.516 142 F N -0.214 119.688 119.950 -0.081 0.000 2.458 142 F HA 0.543 5.071 4.527 0.000 0.000 0.330 142 F C 1.206 176.940 175.800 -0.110 0.000 1.082 142 F CA -0.116 57.828 58.000 -0.093 0.000 0.995 142 F CB 1.558 40.513 39.000 -0.076 0.000 1.170 142 F HN 0.420 nan 8.300 nan 0.000 0.478 143 G N 1.102 109.916 108.800 0.023 0.000 2.760 143 G HA2 -0.267 3.693 3.960 0.000 0.000 0.246 143 G HA3 -0.267 3.693 3.960 0.000 0.000 0.246 143 G C -1.416 173.357 174.900 -0.212 0.000 1.359 143 G CA -1.079 43.933 45.100 -0.147 0.000 0.861 143 G HN 0.598 nan 8.290 nan 0.000 0.541 144 Y N 0.535 120.825 120.300 -0.017 0.000 2.379 144 Y HA 0.393 4.943 4.550 0.000 0.000 0.337 144 Y C 2.002 177.893 175.900 -0.015 0.000 1.238 144 Y CA 0.707 58.789 58.100 -0.030 0.000 1.405 144 Y CB 0.890 39.327 38.460 -0.039 0.000 1.310 144 Y HN 0.924 nan 8.280 nan 0.000 0.569 145 A N 1.542 124.450 122.820 0.147 0.000 1.892 145 A HA -0.248 4.072 4.320 0.000 0.000 0.218 145 A C 1.869 179.493 177.584 0.067 0.000 1.188 145 A CA 2.162 54.245 52.037 0.076 0.000 0.631 145 A CB -0.735 18.297 19.000 0.054 0.000 0.822 145 A HN 0.924 nan 8.150 nan 0.000 0.447 146 D N 0.081 120.526 120.400 0.074 0.000 2.075 146 D HA -0.099 4.541 4.640 0.000 0.000 0.196 146 D C 0.564 176.894 176.300 0.049 0.000 0.985 146 D CA 0.435 54.463 54.000 0.046 0.000 0.834 146 D CB -0.664 40.151 40.800 0.025 0.000 0.987 146 D HN 0.222 nan 8.370 nan 0.000 0.452 147 R N 1.917 122.458 120.500 0.068 0.000 2.734 147 R HA 0.283 4.623 4.340 0.000 0.000 0.266 147 R C -2.023 174.318 176.300 0.067 0.000 1.044 147 R CA -1.343 54.796 56.100 0.065 0.000 1.128 147 R CB -0.880 29.471 30.300 0.084 0.000 1.010 147 R HN 0.152 nan 8.270 nan 0.000 0.461 148 P HA 0.146 nan 4.420 nan 0.000 0.271 148 P C -2.260 175.072 177.300 0.054 0.000 1.244 148 P CA -0.990 62.136 63.100 0.043 0.000 0.793 148 P CB -0.225 31.494 31.700 0.033 0.000 0.984 149 P HA 0.241 nan 4.420 nan 0.000 0.271 149 P C -0.752 176.592 177.300 0.073 0.000 1.216 149 P CA 0.302 63.447 63.100 0.074 0.000 0.776 149 P CB 0.282 32.024 31.700 0.070 0.000 0.881 150 M N 5.296 124.940 119.600 0.073 0.000 2.190 150 M HA 0.414 4.894 4.480 0.000 0.000 0.312 150 M C -2.499 173.815 176.300 0.022 0.000 0.990 150 M CA -2.466 52.856 55.300 0.036 0.000 0.927 150 M CB 1.889 34.496 32.600 0.013 0.000 1.571 150 M HN 0.167 nan 8.290 nan 0.000 0.427 151 P HA 0.248 nan 4.420 nan 0.000 0.271 151 P C -2.689 174.568 177.300 -0.072 0.000 1.216 151 P CA -1.006 62.101 63.100 0.011 0.000 0.771 151 P CB -0.168 31.541 31.700 0.015 0.000 0.864 152 P HA 0.182 nan 4.420 nan 0.000 0.230 152 P C 0.652 177.914 177.300 -0.062 0.000 1.791 152 P CA -0.028 62.976 63.100 -0.160 0.000 1.020 152 P CB -0.360 31.178 31.700 -0.270 0.000 1.977 153 L N -0.698 120.507 121.223 -0.031 0.000 6.706 153 L HA -0.342 3.998 4.340 0.000 0.000 0.053 153 L C 0.949 177.794 176.870 -0.043 0.000 1.950 153 L CA 1.710 56.547 54.840 -0.004 0.000 1.620 153 L CB -1.014 41.079 42.059 0.056 0.000 2.781 153 L HN 0.425 nan 8.230 nan 0.000 1.068 154 N N -0.104 118.558 118.700 -0.063 0.000 2.451 154 N HA 0.235 4.976 4.740 0.000 0.000 0.271 154 N C 0.588 175.933 175.510 -0.275 0.000 1.410 154 N CA -0.144 52.796 53.050 -0.184 0.000 0.884 154 N CB 0.219 38.550 38.487 -0.261 0.000 1.332 154 N HN 0.620 nan 8.380 nan 0.000 0.498 155 L N -0.396 120.785 121.223 -0.068 0.000 2.179 155 L HA 0.047 4.387 4.340 0.000 0.000 0.208 155 L C 1.965 178.840 176.870 0.009 0.000 1.096 155 L CA 0.623 55.488 54.840 0.042 0.000 0.779 155 L CB -0.178 41.947 42.059 0.110 0.000 0.922 155 L HN -0.018 nan 8.230 nan 0.000 0.443 156 V N 0.355 120.267 119.914 -0.004 0.000 2.244 156 V HA -0.227 3.893 4.120 0.000 0.000 0.244 156 V C 2.658 178.769 176.094 0.028 0.000 1.042 156 V CA 2.056 64.383 62.300 0.045 0.000 1.006 156 V CB -0.728 31.162 31.823 0.111 0.000 0.641 156 V HN 0.447 nan 8.190 nan 0.000 0.446 157 A N -0.601 122.216 122.820 -0.005 0.000 1.861 157 A HA -0.118 4.202 4.320 0.000 0.000 0.212 157 A C 2.013 179.555 177.584 -0.069 0.000 1.199 157 A CA 1.350 53.390 52.037 0.005 0.000 0.613 157 A CB -0.650 18.401 19.000 0.086 0.000 0.846 157 A HN 0.484 nan 8.150 nan 0.000 0.446 158 D N -0.709 119.555 120.400 -0.226 0.000 2.092 158 D HA -0.124 4.516 4.640 0.000 0.000 0.193 158 D C 1.516 177.603 176.300 -0.355 0.000 0.994 158 D CA 1.569 55.317 54.000 -0.421 0.000 0.828 158 D CB -0.227 40.051 40.800 -0.869 0.000 0.963 158 D HN 0.447 nan 8.370 nan 0.000 0.450 159 F N -0.353 119.576 119.950 -0.035 0.000 2.479 159 F HA 0.293 4.820 4.527 0.000 0.000 0.280 159 F C 2.566 178.378 175.800 0.020 0.000 0.982 159 F CA 0.345 58.314 58.000 -0.052 0.000 1.276 159 F CB -1.195 37.657 39.000 -0.246 0.000 1.137 159 F HN -0.080 nan 8.300 nan 0.000 0.660 160 G N -0.284 108.626 108.800 0.183 0.000 2.442 160 G HA2 -0.051 3.909 3.960 0.000 0.000 0.219 160 G HA3 -0.051 3.909 3.960 0.000 0.000 0.219 160 G C 1.679 176.642 174.900 0.104 0.000 1.141 160 G CA 1.107 46.288 45.100 0.135 0.000 0.763 160 G HN 0.555 nan 8.290 nan 0.000 0.554 161 G N -1.163 107.683 108.800 0.076 0.000 3.596 161 G HA2 0.469 4.429 3.960 0.000 0.000 0.274 161 G HA3 0.469 4.429 3.960 0.000 0.000 0.274 161 G C 0.819 175.738 174.900 0.033 0.000 1.007 161 G CA 1.014 46.148 45.100 0.056 0.000 0.825 161 G HN 0.600 nan 8.290 nan 0.000 0.508 162 G N 0.255 109.084 108.800 0.048 0.000 2.472 162 G HA2 0.139 4.099 3.960 0.000 0.000 0.199 162 G HA3 0.139 4.099 3.960 0.000 0.000 0.199 162 G C 1.647 176.603 174.900 0.094 0.000 1.547 162 G CA 1.297 46.414 45.100 0.029 0.000 0.701 162 G HN 0.249 nan 8.290 nan 0.000 0.623 163 S N 0.263 116.081 115.700 0.197 0.000 2.359 163 S HA -0.179 4.291 4.470 0.000 0.000 0.223 163 S C 2.559 177.266 174.600 0.179 0.000 1.039 163 S CA 2.192 60.552 58.200 0.267 0.000 1.042 163 S CB -0.338 63.215 63.200 0.587 0.000 0.915 163 S HN 0.129 nan 8.310 nan 0.000 0.439 164 M N 0.547 120.257 119.600 0.183 0.000 2.202 164 M HA -0.023 4.457 4.480 0.000 0.000 0.262 164 M C 2.192 178.542 176.300 0.082 0.000 1.063 164 M CA 1.002 56.376 55.300 0.123 0.000 1.097 164 M CB -1.645 31.029 32.600 0.123 0.000 1.382 164 M HN 0.425 nan 8.290 nan 0.000 0.413 165 L N -0.124 121.143 121.223 0.074 0.000 1.994 165 L HA -0.082 4.258 4.340 0.000 0.000 0.208 165 L C 2.397 179.293 176.870 0.043 0.000 1.071 165 L CA 1.422 56.292 54.840 0.050 0.000 0.745 165 L CB -0.910 41.170 42.059 0.035 0.000 0.892 165 L HN 0.085 nan 8.230 nan 0.000 0.431 166 V N -0.808 119.132 119.914 0.043 0.000 2.626 166 V HA -0.224 3.896 4.120 0.000 0.000 0.252 166 V C 2.438 178.552 176.094 0.033 0.000 1.067 166 V CA 1.623 63.944 62.300 0.034 0.000 1.081 166 V CB -0.135 31.705 31.823 0.028 0.000 0.686 166 V HN 0.473 nan 8.190 nan 0.000 0.468 167 L N -1.016 120.231 121.223 0.042 0.000 2.027 167 L HA -0.156 4.184 4.340 0.000 0.000 0.206 167 L C 2.399 179.290 176.870 0.036 0.000 1.074 167 L CA 1.717 56.577 54.840 0.033 0.000 0.745 167 L CB -0.534 41.548 42.059 0.039 0.000 0.898 167 L HN 0.389 nan 8.230 nan 0.000 0.433 168 L N 0.018 121.266 121.223 0.041 0.000 1.994 168 L HA -0.095 4.245 4.340 0.000 0.000 0.208 168 L C 2.383 179.274 176.870 0.034 0.000 1.071 168 L CA 2.222 57.085 54.840 0.037 0.000 0.745 168 L CB -1.189 40.892 42.059 0.036 0.000 0.892 168 L HN 0.166 nan 8.230 nan 0.000 0.431 169 G N -0.128 108.692 108.800 0.034 0.000 2.476 169 G HA2 -0.297 3.663 3.960 0.000 0.000 0.218 169 G HA3 -0.297 3.663 3.960 0.000 0.000 0.218 169 G C 1.616 176.538 174.900 0.037 0.000 1.164 169 G CA 1.434 46.556 45.100 0.036 0.000 0.768 169 G HN 0.489 nan 8.290 nan 0.000 0.560 170 I N 0.231 120.820 120.570 0.031 0.000 2.090 170 I HA -0.174 3.996 4.170 0.000 0.000 0.236 170 I C 2.800 178.936 176.117 0.031 0.000 1.064 170 I CA 0.857 62.172 61.300 0.024 0.000 1.324 170 I CB -0.535 37.471 38.000 0.009 0.000 1.044 170 I HN 0.024 nan 8.210 nan 0.000 0.399 171 V N 0.571 120.504 119.914 0.033 0.000 2.546 171 V HA -0.230 3.890 4.120 0.000 0.000 0.254 171 V C 2.290 178.427 176.094 0.072 0.000 1.076 171 V CA 1.331 63.659 62.300 0.046 0.000 1.087 171 V CB -0.559 31.292 31.823 0.046 0.000 0.674 171 V HN 0.273 nan 8.190 nan 0.000 0.470 172 V N 0.046 119.997 119.914 0.061 0.000 2.346 172 V HA -0.110 4.010 4.120 0.000 0.000 0.244 172 V C 2.657 178.814 176.094 0.104 0.000 1.037 172 V CA 1.686 64.032 62.300 0.076 0.000 1.029 172 V CB -0.880 30.969 31.823 0.043 0.000 0.663 172 V HN 0.539 nan 8.190 nan 0.000 0.454 173 A N -0.481 122.382 122.820 0.071 0.000 2.076 173 A HA -0.158 4.162 4.320 0.000 0.000 0.220 173 A C 2.082 179.700 177.584 0.057 0.000 1.160 173 A CA 1.592 53.666 52.037 0.062 0.000 0.653 173 A CB -0.440 18.589 19.000 0.048 0.000 0.801 173 A HN 0.421 nan 8.150 nan 0.000 0.455 174 L N -2.388 118.872 121.223 0.062 0.000 2.023 174 L HA -0.054 4.287 4.340 0.000 0.000 0.205 174 L C 2.324 179.229 176.870 0.059 0.000 1.073 174 L CA 1.884 56.748 54.840 0.040 0.000 0.745 174 L CB -1.111 40.967 42.059 0.032 0.000 0.900 174 L HN 0.561 nan 8.230 nan 0.000 0.435 175 Y N 0.460 120.756 120.300 -0.007 0.000 2.256 175 Y HA -0.305 4.245 4.550 0.000 0.000 0.288 175 Y C 2.518 178.417 175.900 -0.002 0.000 1.155 175 Y CA 1.866 59.964 58.100 -0.003 0.000 1.203 175 Y CB 0.084 38.547 38.460 0.004 0.000 0.980 175 Y HN 0.365 nan 8.280 nan 0.000 0.530 176 E N 0.928 121.215 120.200 0.145 0.000 1.998 176 E HA -0.251 4.099 4.350 0.000 0.000 0.196 176 E C 2.397 178.983 176.600 -0.024 0.000 1.003 176 E CA 1.854 58.298 56.400 0.074 0.000 0.829 176 E CB -0.697 29.052 29.700 0.081 0.000 0.777 176 E HN 0.266 nan 8.360 nan 0.000 0.460 177 R N 0.680 121.172 120.500 -0.014 0.000 2.170 177 R HA -0.167 4.173 4.340 0.000 0.000 0.242 177 R C 1.229 177.486 176.300 -0.072 0.000 1.145 177 R CA 1.554 57.634 56.100 -0.033 0.000 0.984 177 R CB -0.484 29.804 30.300 -0.019 0.000 0.869 177 R HN 0.269 nan 8.270 nan 0.000 0.455 178 E N 0.693 120.826 120.200 -0.112 0.000 2.461 178 E HA -0.071 4.279 4.350 0.000 0.000 0.196 178 E C 0.650 177.129 176.600 -0.202 0.000 1.129 178 E CA 0.350 56.655 56.400 -0.158 0.000 0.902 178 E CB 0.129 29.710 29.700 -0.198 0.000 0.963 178 E HN 0.433 nan 8.360 nan 0.000 0.503 179 R N -2.140 118.263 120.500 -0.162 0.000 2.851 179 R HA 0.037 4.377 4.340 0.000 0.000 0.177 179 R C 1.861 178.114 176.300 -0.077 0.000 0.888 179 R CA 0.737 56.752 56.100 -0.141 0.000 1.326 179 R CB -0.059 30.131 30.300 -0.183 0.000 1.668 179 R HN 0.021 nan 8.270 nan 0.000 0.575 180 S N 0.195 115.859 115.700 -0.058 0.000 2.575 180 S HA 0.135 4.605 4.470 0.000 0.000 0.215 180 S C 1.452 176.034 174.600 -0.030 0.000 0.966 180 S CA 0.470 58.651 58.200 -0.032 0.000 0.911 180 S CB 0.723 63.914 63.200 -0.015 0.000 0.780 180 S HN 0.499 nan 8.310 nan 0.000 0.514 181 G N 0.551 109.326 108.800 -0.041 0.000 2.244 181 G HA2 -0.239 3.721 3.960 0.000 0.000 0.274 181 G HA3 -0.239 3.721 3.960 0.000 0.000 0.274 181 G C 0.018 174.903 174.900 -0.024 0.000 1.002 181 G CA 0.616 45.694 45.100 -0.035 0.000 0.740 181 G HN 0.945 nan 8.290 nan 0.000 0.516 182 V N -0.597 119.306 119.914 -0.018 0.000 2.668 182 V HA 0.749 4.869 4.120 0.000 0.000 0.304 182 V C 0.863 176.957 176.094 -0.000 0.000 1.071 182 V CA -0.387 61.909 62.300 -0.008 0.000 0.894 182 V CB 1.549 33.370 31.823 -0.004 0.000 1.008 182 V HN 0.645 nan 8.190 nan 0.000 0.425 183 G N 3.244 112.048 108.800 0.006 0.000 2.535 183 G HA2 0.674 4.634 3.960 0.000 0.000 0.282 183 G HA3 0.674 4.634 3.960 0.000 0.000 0.282 183 G C -0.538 174.380 174.900 0.031 0.000 1.350 183 G CA 0.111 45.222 45.100 0.019 0.000 1.039 183 G HN 0.873 nan 8.290 nan 0.000 0.509 184 Q N -3.151 116.678 119.800 0.049 0.000 2.813 184 Q HA 0.528 4.868 4.340 0.000 0.000 0.338 184 Q C -1.744 174.307 176.000 0.085 0.000 0.785 184 Q CA -0.908 54.924 55.803 0.049 0.000 0.834 184 Q CB 1.264 30.023 28.738 0.034 0.000 1.329 184 Q HN 0.405 nan 8.270 nan 0.000 0.511 185 V N 1.075 121.027 119.914 0.064 0.000 2.472 185 V HA 0.532 4.652 4.120 0.000 0.000 0.290 185 V C -0.556 175.592 176.094 0.089 0.000 1.037 185 V CA -0.701 61.657 62.300 0.097 0.000 0.908 185 V CB 1.501 33.324 31.823 0.000 0.000 0.985 185 V HN 0.508 nan 8.190 nan 0.000 0.454 186 V N 3.167 123.156 119.914 0.125 0.000 2.378 186 V HA 0.378 4.498 4.120 0.000 0.000 0.288 186 V C -0.586 175.560 176.094 0.088 0.000 1.016 186 V CA -0.439 61.912 62.300 0.086 0.000 0.840 186 V CB 1.732 33.599 31.823 0.073 0.000 0.994 186 V HN 0.933 nan 8.190 nan 0.000 0.431 187 D N 4.568 125.003 120.400 0.059 0.000 2.412 187 D HA 0.542 5.182 4.640 0.000 0.000 0.224 187 D C 0.003 176.321 176.300 0.031 0.000 1.093 187 D CA -0.175 53.854 54.000 0.049 0.000 0.850 187 D CB 1.555 42.377 40.800 0.036 0.000 1.046 187 D HN 0.683 nan 8.370 nan 0.000 0.507 188 A N 3.271 126.106 122.820 0.024 0.000 2.341 188 A HA 0.672 4.992 4.320 0.000 0.000 0.326 188 A C -0.063 177.504 177.584 -0.029 0.000 1.402 188 A CA -0.638 51.401 52.037 0.004 0.000 0.957 188 A CB 0.452 19.457 19.000 0.009 0.000 1.151 188 A HN 0.589 nan 8.150 nan 0.000 0.533 189 A N 3.140 125.939 122.820 -0.035 0.000 2.260 189 A HA 0.562 4.882 4.320 0.000 0.000 0.308 189 A C 0.962 178.476 177.584 -0.116 0.000 1.254 189 A CA -0.561 51.427 52.037 -0.082 0.000 0.874 189 A CB 0.177 19.159 19.000 -0.029 0.000 1.153 189 A HN 0.888 nan 8.150 nan 0.000 0.527 190 M N 2.440 121.894 119.600 -0.245 0.000 2.108 190 M HA -0.147 4.333 4.480 0.000 0.000 0.261 190 M C 1.970 178.191 176.300 -0.132 0.000 1.066 190 M CA 1.634 56.799 55.300 -0.225 0.000 1.107 190 M CB -0.234 32.126 32.600 -0.399 0.000 1.356 190 M HN 0.645 nan 8.290 nan 0.000 0.406 191 V N 0.438 120.260 119.914 -0.153 0.000 2.469 191 V HA -0.291 3.829 4.120 0.000 0.000 0.251 191 V C 1.460 177.587 176.094 0.056 0.000 1.064 191 V CA 2.120 64.438 62.300 0.029 0.000 1.066 191 V CB -0.448 31.480 31.823 0.175 0.000 0.667 191 V HN 0.426 nan 8.190 nan 0.000 0.461 192 D N 0.080 120.492 120.400 0.021 0.000 2.091 192 D HA -0.036 4.604 4.640 0.000 0.000 0.199 192 D C 2.115 178.437 176.300 0.037 0.000 0.980 192 D CA 1.537 55.554 54.000 0.030 0.000 0.831 192 D CB -0.782 40.026 40.800 0.013 0.000 0.987 192 D HN 0.492 nan 8.370 nan 0.000 0.460 193 G N 0.681 109.495 108.800 0.023 0.000 2.421 193 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 193 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 193 G C 1.861 176.797 174.900 0.060 0.000 1.171 193 G CA 0.910 46.033 45.100 0.037 0.000 0.775 193 G HN 0.225 nan 8.290 nan 0.000 0.543 194 V N 0.988 120.938 119.914 0.061 0.000 2.332 194 V HA -0.209 3.911 4.120 0.000 0.000 0.248 194 V C 3.137 179.298 176.094 0.111 0.000 1.055 194 V CA 2.312 64.662 62.300 0.084 0.000 1.038 194 V CB -0.590 31.284 31.823 0.084 0.000 0.651 194 V HN 0.370 nan 8.190 nan 0.000 0.450 195 S N -0.440 115.340 115.700 0.134 0.000 2.400 195 S HA -0.151 4.319 4.470 0.000 0.000 0.232 195 S C 1.885 176.612 174.600 0.212 0.000 1.025 195 S CA 1.474 59.805 58.200 0.218 0.000 0.993 195 S CB -0.128 63.187 63.200 0.192 0.000 0.808 195 S HN 0.423 nan 8.310 nan 0.000 0.478 196 V N 1.542 121.532 119.914 0.127 0.000 2.719 196 V HA -0.000 4.120 4.120 0.000 0.000 0.252 196 V C 1.914 178.073 176.094 0.109 0.000 1.065 196 V CA 1.058 63.421 62.300 0.105 0.000 1.086 196 V CB -0.571 31.291 31.823 0.066 0.000 0.700 196 V HN 0.430 nan 8.190 nan 0.000 0.467 197 L N 0.207 121.492 121.223 0.103 0.000 2.291 197 L HA 0.009 4.349 4.340 0.000 0.000 0.214 197 L C 2.305 179.231 176.870 0.094 0.000 1.120 197 L CA 1.203 56.099 54.840 0.093 0.000 0.799 197 L CB -0.442 41.672 42.059 0.091 0.000 0.925 197 L HN 0.352 nan 8.230 nan 0.000 0.446 198 A N -1.606 121.280 122.820 0.110 0.000 2.275 198 A HA -0.004 4.316 4.320 0.000 0.000 0.212 198 A C 1.932 179.587 177.584 0.119 0.000 1.201 198 A CA -0.099 51.973 52.037 0.058 0.000 0.843 198 A CB -0.026 18.960 19.000 -0.024 0.000 0.873 198 A HN 0.229 nan 8.150 nan 0.000 0.492 199 Q N -0.269 119.659 119.800 0.213 0.000 2.082 199 Q HA -0.316 4.024 4.340 0.000 0.000 0.211 199 Q C 2.024 178.125 176.000 0.169 0.000 1.002 199 Q CA 2.231 58.187 55.803 0.255 0.000 0.868 199 Q CB -0.533 28.298 28.738 0.154 0.000 0.931 199 Q HN 0.836 nan 8.270 nan 0.000 0.414 200 M N -0.782 118.875 119.600 0.095 0.000 2.108 200 M HA -0.292 4.188 4.480 0.000 0.000 0.257 200 M C 2.044 178.352 176.300 0.014 0.000 1.071 200 M CA 1.806 57.147 55.300 0.068 0.000 1.093 200 M CB -0.076 32.566 32.600 0.069 0.000 1.345 200 M HN 0.211 nan 8.290 nan 0.000 0.403 201 M N -0.248 119.299 119.600 -0.089 0.000 2.086 201 M HA -0.156 4.324 4.480 0.000 0.000 0.261 201 M C 1.493 177.635 176.300 -0.263 0.000 1.067 201 M CA 2.178 57.304 55.300 -0.290 0.000 1.116 201 M CB -0.852 31.473 32.600 -0.458 0.000 1.348 201 M HN 0.462 nan 8.290 nan 0.000 0.407 202 W N -0.373 120.883 121.300 -0.073 0.000 2.338 202 W HA -0.232 4.428 4.660 0.000 0.000 0.304 202 W C 2.324 178.816 176.519 -0.044 0.000 1.212 202 W CA 1.670 58.980 57.345 -0.058 0.000 1.264 202 W CB -1.111 28.326 29.460 -0.038 0.000 1.142 202 W HN 0.155 nan 8.180 nan 0.000 0.512 203 T N 0.484 115.148 114.554 0.183 0.000 2.665 203 T HA -0.284 4.066 4.350 0.000 0.000 0.268 203 T C 1.837 176.578 174.700 0.068 0.000 1.035 203 T CA 1.836 64.004 62.100 0.114 0.000 1.151 203 T CB -0.425 68.498 68.868 0.091 0.000 0.862 203 T HN -0.033 nan 8.240 nan 0.000 0.438 204 M N 0.985 120.596 119.600 0.018 0.000 2.117 204 M HA -0.036 4.444 4.480 0.000 0.000 0.262 204 M C 2.324 178.599 176.300 -0.042 0.000 1.065 204 M CA 1.370 56.661 55.300 -0.015 0.000 1.114 204 M CB -1.011 31.514 32.600 -0.125 0.000 1.361 204 M HN 0.142 nan 8.290 nan 0.000 0.408 205 K N 0.312 120.665 120.400 -0.078 0.000 2.044 205 K HA -0.149 4.171 4.320 0.000 0.000 0.210 205 K C 1.962 178.579 176.600 0.028 0.000 1.049 205 K CA 1.906 58.159 56.287 -0.056 0.000 0.927 205 K CB -0.560 31.909 32.500 -0.052 0.000 0.713 205 K HN 0.444 nan 8.250 nan 0.000 0.443 206 G N 0.726 109.572 108.800 0.076 0.000 2.421 206 G HA2 -0.148 3.812 3.960 0.000 0.000 0.217 206 G HA3 -0.148 3.812 3.960 0.000 0.000 0.217 206 G C 1.581 176.506 174.900 0.043 0.000 1.143 206 G CA 0.342 45.483 45.100 0.069 0.000 0.784 206 G HN 0.280 nan 8.290 nan 0.000 0.541 207 I N 0.414 121.008 120.570 0.040 0.000 2.761 207 I HA 0.134 4.304 4.170 0.000 0.000 0.261 207 I C 2.021 178.156 176.117 0.030 0.000 1.198 207 I CA 0.814 62.136 61.300 0.036 0.000 1.482 207 I CB 0.157 38.184 38.000 0.045 0.000 1.100 207 I HN 0.314 nan 8.210 nan 0.000 0.445 208 G N 0.321 109.134 108.800 0.021 0.000 2.130 208 G HA2 -0.238 3.722 3.960 0.000 0.000 0.216 208 G HA3 -0.238 3.722 3.960 0.000 0.000 0.216 208 G C 0.878 175.795 174.900 0.028 0.000 0.999 208 G CA 0.425 45.535 45.100 0.016 0.000 0.686 208 G HN 0.297 nan 8.290 nan 0.000 0.515 209 S N -0.568 115.158 115.700 0.043 0.000 2.528 209 S HA 0.354 4.824 4.470 0.000 0.000 0.219 209 S C 1.166 175.830 174.600 0.106 0.000 0.985 209 S CA 0.165 58.431 58.200 0.110 0.000 0.914 209 S CB 0.087 63.408 63.200 0.203 0.000 0.776 209 S HN 0.509 nan 8.310 nan 0.000 0.526 210 L N 1.548 122.751 121.223 -0.033 0.000 2.360 210 L HA 0.511 4.851 4.340 0.000 0.000 0.271 210 L C 0.648 177.486 176.870 -0.052 0.000 1.057 210 L CA -0.624 54.147 54.840 -0.115 0.000 0.803 210 L CB 0.913 42.812 42.059 -0.266 0.000 1.207 210 L HN 0.027 nan 8.230 nan 0.000 0.445 211 R N 0.005 120.479 120.500 -0.044 0.000 3.055 211 R HA 0.220 4.560 4.340 0.000 0.000 0.231 211 R C -0.032 176.238 176.300 -0.051 0.000 1.443 211 R CA -0.882 55.203 56.100 -0.025 0.000 1.063 211 R CB 0.774 31.078 30.300 0.007 0.000 1.514 211 R HN 0.518 nan 8.270 nan 0.000 0.510 212 D N 0.401 120.781 120.400 -0.035 0.000 2.201 212 D HA -0.071 4.569 4.640 0.000 0.000 0.209 212 D C 0.034 176.311 176.300 -0.040 0.000 0.961 212 D CA 0.956 54.931 54.000 -0.042 0.000 0.861 212 D CB 0.468 41.251 40.800 -0.028 0.000 0.997 212 D HN 0.305 nan 8.370 nan 0.000 0.486 213 Q N 0.814 120.601 119.800 -0.022 0.000 2.317 213 Q HA 0.232 4.572 4.340 0.000 0.000 0.229 213 Q C 0.106 176.098 176.000 -0.014 0.000 0.984 213 Q CA -0.312 55.482 55.803 -0.014 0.000 0.911 213 Q CB 1.185 29.923 28.738 -0.000 0.000 1.217 213 Q HN 0.043 nan 8.270 nan 0.000 0.501 214 R N 0.226 120.720 120.500 -0.010 0.000 2.652 214 R HA 0.128 4.468 4.340 0.000 0.000 0.272 214 R C -0.149 176.156 176.300 0.008 0.000 1.162 214 R CA -0.456 55.640 56.100 -0.007 0.000 1.199 214 R CB 0.196 30.491 30.300 -0.009 0.000 1.166 214 R HN 0.811 nan 8.270 nan 0.000 0.597 215 E N -0.599 119.603 120.200 0.004 0.000 2.440 215 E HA -0.213 4.137 4.350 0.000 0.000 0.246 215 E C -0.196 176.421 176.600 0.029 0.000 1.165 215 E CA 0.557 56.955 56.400 -0.002 0.000 0.726 215 E CB -0.791 28.903 29.700 -0.010 0.000 1.271 215 E HN 0.522 nan 8.360 nan 0.000 0.397 216 S N -1.202 114.536 115.700 0.064 0.000 2.619 216 S HA 0.159 4.629 4.470 0.000 0.000 0.238 216 S C 0.215 174.909 174.600 0.156 0.000 1.068 216 S CA -0.443 57.812 58.200 0.091 0.000 0.926 216 S CB 0.309 63.549 63.200 0.066 0.000 0.864 216 S HN 0.338 nan 8.310 nan 0.000 0.493 217 F N 2.076 122.008 119.950 -0.030 0.000 2.239 217 F HA 0.393 4.920 4.527 0.000 0.000 0.288 217 F C 1.180 176.948 175.800 -0.053 0.000 1.225 217 F CA -0.887 57.089 58.000 -0.040 0.000 1.162 217 F CB 0.194 39.156 39.000 -0.063 0.000 1.484 217 F HN -0.002 nan 8.300 nan 0.000 0.512 218 L N 1.083 121.723 121.223 -0.971 0.000 2.162 218 L HA 0.149 4.489 4.340 0.000 0.000 0.205 218 L C 1.030 177.543 176.870 -0.594 0.000 1.086 218 L CA 1.727 56.103 54.840 -0.773 0.000 0.778 218 L CB -0.511 40.993 42.059 -0.925 0.000 0.928 218 L HN 0.589 nan 8.230 nan 0.000 0.446 219 L N 0.122 121.055 121.223 -0.483 0.000 2.700 219 L HA 0.227 4.567 4.340 0.000 0.000 0.234 219 L C 0.356 177.306 176.870 0.133 0.000 1.156 219 L CA 0.120 54.840 54.840 -0.199 0.000 0.946 219 L CB -0.254 41.719 42.059 -0.145 0.000 1.216 219 L HN 0.294 nan 8.230 nan 0.000 0.493 220 D N -0.795 119.683 120.400 0.129 0.000 2.501 220 D HA 0.160 4.800 4.640 0.000 0.000 0.224 220 D C 1.205 177.493 176.300 -0.019 0.000 1.202 220 D CA 0.357 54.413 54.000 0.093 0.000 0.829 220 D CB 0.812 41.688 40.800 0.127 0.000 1.023 220 D HN 0.161 nan 8.370 nan 0.000 0.499 221 G N -0.117 108.662 108.800 -0.035 0.000 2.194 221 G HA2 -0.251 3.709 3.960 0.000 0.000 0.236 221 G HA3 -0.251 3.709 3.960 0.000 0.000 0.236 221 G C 1.209 176.037 174.900 -0.120 0.000 0.987 221 G CA 0.087 45.113 45.100 -0.123 0.000 0.635 221 G HN 0.644 nan 8.290 nan 0.000 0.520 222 G N 0.102 108.860 108.800 -0.070 0.000 2.776 222 G HA2 0.493 4.453 3.960 0.000 0.000 0.209 222 G HA3 0.493 4.453 3.960 0.000 0.000 0.209 222 G C 0.626 175.478 174.900 -0.079 0.000 1.145 222 G CA 1.411 46.493 45.100 -0.030 0.000 0.791 222 G HN 1.778 nan 8.290 nan 0.000 0.530 223 A N 0.705 123.360 122.820 -0.275 0.000 2.340 223 A HA 0.686 5.006 4.320 0.000 0.000 0.297 223 A C -1.157 176.111 177.584 -0.526 0.000 1.195 223 A CA -1.383 50.255 52.037 -0.664 0.000 0.769 223 A CB 1.823 20.179 19.000 -1.074 0.000 1.163 223 A HN -0.013 nan 8.150 nan 0.000 0.472 224 P HA -0.188 nan 4.420 nan 0.000 0.220 224 P C 0.774 178.382 177.300 0.512 0.000 1.144 224 P CA 1.344 64.581 63.100 0.229 0.000 0.800 224 P CB -0.213 31.670 31.700 0.305 0.000 0.772 225 F N -3.863 116.307 119.950 0.367 0.000 2.731 225 F HA 0.349 4.876 4.527 0.000 0.000 0.304 225 F C 0.469 176.442 175.800 0.288 0.000 1.133 225 F CA -0.901 57.367 58.000 0.447 0.000 1.380 225 F CB -0.780 38.580 39.000 0.600 0.000 1.079 225 F HN -0.231 nan 8.300 nan 0.000 0.550 226 Y N 3.054 123.256 120.300 -0.164 0.000 2.516 226 Y HA 0.448 4.998 4.550 0.000 0.000 0.329 226 Y C -0.229 175.543 175.900 -0.213 0.000 1.095 226 Y CA -1.401 56.586 58.100 -0.189 0.000 1.213 226 Y CB 0.109 38.387 38.460 -0.304 0.000 1.109 226 Y HN 0.316 nan 8.280 nan 0.000 0.630 227 R N -0.160 120.076 120.500 -0.440 0.000 3.091 227 R HA 0.755 5.095 4.340 0.000 0.000 0.266 227 R C -1.862 174.115 176.300 -0.539 0.000 0.981 227 R CA -0.814 55.000 56.100 -0.476 0.000 0.845 227 R CB 0.270 30.333 30.300 -0.394 0.000 1.498 227 R HN 0.198 nan 8.270 nan 0.000 0.437 228 C N -0.061 118.894 119.300 -0.575 0.000 2.493 228 C HA 0.720 5.180 4.460 0.000 0.000 0.326 228 C C -1.287 173.293 174.990 -0.684 0.000 1.200 228 C CA -0.325 58.365 59.018 -0.546 0.000 1.739 228 C CB 0.667 28.153 27.740 -0.424 0.000 2.300 228 C HN 0.569 nan 8.230 nan 0.000 0.500 229 Y N 0.552 120.687 120.300 -0.275 0.000 2.425 229 Y HA 0.414 4.964 4.550 0.000 0.000 0.344 229 Y C 0.180 176.085 175.900 0.008 0.000 0.969 229 Y CA -0.517 57.483 58.100 -0.168 0.000 1.052 229 Y CB 1.061 39.260 38.460 -0.435 0.000 1.215 229 Y HN 0.673 nan 8.280 nan 0.000 0.451 230 E N 1.988 122.389 120.200 0.334 0.000 2.354 230 E HA 0.257 4.607 4.350 0.000 0.000 0.269 230 E C -0.258 176.458 176.600 0.193 0.000 1.036 230 E CA -0.337 56.231 56.400 0.279 0.000 0.876 230 E CB 0.881 30.728 29.700 0.245 0.000 1.009 230 E HN 0.728 nan 8.360 nan 0.000 0.416 231 T N 0.554 115.174 114.554 0.110 0.000 2.880 231 T HA 0.153 4.503 4.350 0.000 0.000 0.279 231 T C 1.386 176.157 174.700 0.119 0.000 0.990 231 T CA -0.070 62.164 62.100 0.222 0.000 0.938 231 T CB 1.120 70.145 68.868 0.261 0.000 1.206 231 T HN 0.527 nan 8.240 nan 0.000 0.573 232 S N 0.746 116.518 115.700 0.120 0.000 2.348 232 S HA -0.150 4.320 4.470 0.000 0.000 0.221 232 S C 1.144 175.746 174.600 0.003 0.000 1.033 232 S CA 1.182 59.410 58.200 0.047 0.000 1.010 232 S CB -1.096 62.112 63.200 0.012 0.000 0.891 232 S HN 0.906 nan 8.310 nan 0.000 0.442 233 D N 1.428 121.823 120.400 -0.008 0.000 2.856 233 D HA 0.293 4.933 4.640 0.000 0.000 0.242 233 D C 1.209 177.464 176.300 -0.075 0.000 1.226 233 D CA 0.301 54.281 54.000 -0.034 0.000 0.855 233 D CB -1.108 39.675 40.800 -0.028 0.000 1.065 233 D HN 0.584 nan 8.370 nan 0.000 0.462 234 G N -0.020 108.721 108.800 -0.099 0.000 2.225 234 G HA2 -0.409 3.551 3.960 0.000 0.000 0.272 234 G HA3 -0.409 3.551 3.960 0.000 0.000 0.272 234 G C 0.617 175.272 174.900 -0.409 0.000 0.996 234 G CA 1.021 46.002 45.100 -0.198 0.000 0.710 234 G HN 0.506 nan 8.290 nan 0.000 0.522 235 K N -1.244 118.954 120.400 -0.337 0.000 2.627 235 K HA 0.771 5.091 4.320 0.000 0.000 0.269 235 K C -0.223 176.029 176.600 -0.579 0.000 1.029 235 K CA -0.408 55.642 56.287 -0.395 0.000 1.026 235 K CB 0.327 32.756 32.500 -0.118 0.000 1.350 235 K HN 0.158 nan 8.250 nan 0.000 0.506 236 Y N -0.525 119.765 120.300 -0.016 0.000 2.534 236 Y HA 0.473 5.023 4.550 0.000 0.000 0.345 236 Y C -0.577 175.255 175.900 -0.115 0.000 1.031 236 Y CA -0.993 57.065 58.100 -0.069 0.000 1.022 236 Y CB 1.648 40.049 38.460 -0.099 0.000 1.292 236 Y HN 0.145 nan 8.280 nan 0.000 0.459 237 M N 2.044 121.618 119.600 -0.042 0.000 2.393 237 M HA 0.657 5.137 4.480 0.000 0.000 0.316 237 M C -0.695 175.400 176.300 -0.341 0.000 1.087 237 M CA -1.037 54.125 55.300 -0.230 0.000 0.937 237 M CB 1.831 34.166 32.600 -0.442 0.000 1.668 237 M HN 0.797 nan 8.290 nan 0.000 0.438 238 A N 3.742 126.380 122.820 -0.303 0.000 2.260 238 A HA 0.707 5.027 4.320 0.000 0.000 0.314 238 A C -0.468 176.897 177.584 -0.366 0.000 1.257 238 A CA -0.556 51.277 52.037 -0.340 0.000 0.871 238 A CB 0.451 19.279 19.000 -0.287 0.000 1.166 238 A HN 0.605 nan 8.150 nan 0.000 0.522 239 V N 1.838 121.525 119.914 -0.379 0.000 2.547 239 V HA 0.743 4.863 4.120 0.000 0.000 0.299 239 V C 0.909 176.837 176.094 -0.277 0.000 1.040 239 V CA 0.260 62.386 62.300 -0.290 0.000 0.913 239 V CB 1.852 33.584 31.823 -0.151 0.000 0.992 239 V HN 1.161 nan 8.190 nan 0.000 0.449 240 G N 2.326 111.053 108.800 -0.122 0.000 5.084 240 G HA2 0.445 4.405 3.960 0.000 0.000 0.241 240 G HA3 0.445 4.405 3.960 0.000 0.000 0.241 240 G C 0.277 175.348 174.900 0.285 0.000 0.918 240 G CA 0.410 45.556 45.100 0.077 0.000 0.754 240 G HN 0.991 nan 8.290 nan 0.000 0.478 241 A N 0.980 123.977 122.820 0.295 0.000 2.899 241 A HA 0.540 4.860 4.320 0.000 0.000 0.287 241 A C 1.216 179.169 177.584 0.617 0.000 1.715 241 A CA -0.119 52.162 52.037 0.408 0.000 1.393 241 A CB -0.445 18.738 19.000 0.305 0.000 1.070 241 A HN 0.419 nan 8.150 nan 0.000 0.587 242 I N 0.200 121.099 120.570 0.548 0.000 2.368 242 I HA -0.017 4.153 4.170 0.000 0.000 0.238 242 I C 0.682 176.952 176.117 0.255 0.000 1.076 242 I CA 0.235 61.826 61.300 0.485 0.000 1.397 242 I CB -0.330 37.852 38.000 0.304 0.000 1.141 242 I HN 0.438 nan 8.210 nan 0.000 0.430 243 E N 2.704 123.026 120.200 0.203 0.000 2.481 243 E HA -0.070 4.280 4.350 0.000 0.000 0.263 243 E C -1.535 175.004 176.600 -0.100 0.000 0.992 243 E CA -0.851 55.490 56.400 -0.097 0.000 0.938 243 E CB -0.039 29.326 29.700 -0.560 0.000 0.933 243 E HN 0.155 nan 8.360 nan 0.000 0.453 244 P HA -0.278 nan 4.420 nan 0.000 0.216 244 P C 1.174 178.466 177.300 -0.014 0.000 1.150 244 P CA 1.460 64.510 63.100 -0.084 0.000 0.837 244 P CB 0.345 31.975 31.700 -0.117 0.000 0.786 245 Q N -0.760 118.940 119.800 -0.166 0.000 2.050 245 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 245 Q C 1.992 178.029 176.000 0.061 0.000 0.980 245 Q CA 1.564 57.292 55.803 -0.125 0.000 0.840 245 Q CB -0.399 28.162 28.738 -0.296 0.000 0.898 245 Q HN 0.096 nan 8.270 nan 0.000 0.424 246 F N -0.358 119.649 119.950 0.095 0.000 2.259 246 F HA -0.065 4.462 4.527 0.000 0.000 0.298 246 F C 1.976 177.842 175.800 0.109 0.000 1.088 246 F CA 0.313 58.368 58.000 0.092 0.000 1.358 246 F CB -1.039 38.017 39.000 0.094 0.000 1.040 246 F HN 0.141 nan 8.300 nan 0.000 0.505 247 F N 0.944 120.982 119.950 0.147 0.000 2.269 247 F HA -0.065 4.462 4.527 0.000 0.000 0.301 247 F C 2.228 178.068 175.800 0.066 0.000 1.082 247 F CA 0.849 58.888 58.000 0.065 0.000 1.360 247 F CB -0.442 38.516 39.000 -0.069 0.000 1.041 247 F HN -0.063 nan 8.300 nan 0.000 0.512 248 A N 0.564 123.484 122.820 0.167 0.000 1.845 248 A HA -0.072 4.248 4.320 0.000 0.000 0.215 248 A C 2.485 180.084 177.584 0.023 0.000 1.195 248 A CA 1.885 53.971 52.037 0.082 0.000 0.616 248 A CB -1.643 17.418 19.000 0.101 0.000 0.832 248 A HN 0.459 nan 8.150 nan 0.000 0.443 249 A N -0.190 122.684 122.820 0.090 0.000 1.892 249 A HA -0.163 4.157 4.320 0.000 0.000 0.218 249 A C 2.193 179.844 177.584 0.111 0.000 1.188 249 A CA 1.803 53.904 52.037 0.106 0.000 0.631 249 A CB -0.758 18.342 19.000 0.167 0.000 0.822 249 A HN 0.609 nan 8.150 nan 0.000 0.447 250 L N -1.005 120.235 121.223 0.028 0.000 1.990 250 L HA -0.185 4.155 4.340 0.000 0.000 0.213 250 L C 2.401 179.184 176.870 -0.144 0.000 1.072 250 L CA 2.372 57.168 54.840 -0.075 0.000 0.755 250 L CB -0.925 40.932 42.059 -0.338 0.000 0.889 250 L HN 0.376 nan 8.230 nan 0.000 0.432 251 L N -0.282 120.770 121.223 -0.286 0.000 2.141 251 L HA -0.156 4.184 4.340 0.000 0.000 0.209 251 L C 2.888 179.695 176.870 -0.105 0.000 1.094 251 L CA 1.673 56.377 54.840 -0.226 0.000 0.763 251 L CB -0.671 41.250 42.059 -0.230 0.000 0.908 251 L HN 0.334 nan 8.230 nan 0.000 0.437 252 S N -0.744 114.917 115.700 -0.066 0.000 2.343 252 S HA -0.128 4.343 4.470 0.000 0.000 0.212 252 S C 2.130 176.658 174.600 -0.119 0.000 1.033 252 S CA 1.273 59.437 58.200 -0.060 0.000 1.004 252 S CB -0.886 62.295 63.200 -0.032 0.000 0.977 252 S HN 0.473 nan 8.310 nan 0.000 0.427 253 G N 1.189 109.872 108.800 -0.196 0.000 2.485 253 G HA2 -0.181 3.779 3.960 0.000 0.000 0.221 253 G HA3 -0.181 3.779 3.960 0.000 0.000 0.221 253 G C 1.293 175.931 174.900 -0.437 0.000 1.115 253 G CA 1.078 45.876 45.100 -0.504 0.000 0.751 253 G HN 0.500 nan 8.290 nan 0.000 0.567 254 L N 0.737 121.820 121.223 -0.234 0.000 2.551 254 L HA 0.296 4.636 4.340 0.000 0.000 0.228 254 L C 1.904 178.739 176.870 -0.059 0.000 1.153 254 L CA 1.051 55.788 54.840 -0.170 0.000 0.851 254 L CB -0.305 41.564 42.059 -0.317 0.000 0.959 254 L HN 0.381 nan 8.230 nan 0.000 0.451 255 G N 0.090 108.848 108.800 -0.070 0.000 2.272 255 G HA2 -0.263 3.697 3.960 0.000 0.000 0.280 255 G HA3 -0.263 3.697 3.960 0.000 0.000 0.280 255 G C -0.114 174.771 174.900 -0.026 0.000 1.067 255 G CA 0.501 45.576 45.100 -0.041 0.000 0.902 255 G HN 0.300 nan 8.290 nan 0.000 0.500 256 L N -0.108 121.097 121.223 -0.031 0.000 2.381 256 L HA 0.698 5.038 4.340 0.000 0.000 0.268 256 L C 0.525 177.396 176.870 0.003 0.000 0.997 256 L CA -0.930 53.908 54.840 -0.003 0.000 0.818 256 L CB 2.231 44.301 42.059 0.019 0.000 1.310 256 L HN 0.206 nan 8.230 nan 0.000 0.416 257 S N 0.865 116.575 115.700 0.017 0.000 2.537 257 S HA 0.439 4.909 4.470 0.000 0.000 0.275 257 S C 1.134 175.760 174.600 0.045 0.000 1.272 257 S CA 0.116 58.329 58.200 0.023 0.000 1.050 257 S CB 1.659 64.871 63.200 0.020 0.000 0.961 257 S HN 0.726 nan 8.310 nan 0.000 0.496 258 A N 4.999 127.852 122.820 0.054 0.000 1.915 258 A HA -0.126 4.194 4.320 0.000 0.000 0.220 258 A C 2.328 179.961 177.584 0.083 0.000 1.198 258 A CA 2.376 54.467 52.037 0.089 0.000 0.647 258 A CB -1.516 17.534 19.000 0.084 0.000 0.825 258 A HN 1.311 nan 8.150 nan 0.000 0.456 259 A N -0.817 122.036 122.820 0.055 0.000 2.070 259 A HA -0.144 4.176 4.320 0.000 0.000 0.220 259 A C 1.712 179.323 177.584 0.045 0.000 1.159 259 A CA 1.737 53.801 52.037 0.045 0.000 0.656 259 A CB -0.448 18.571 19.000 0.031 0.000 0.800 259 A HN 0.550 nan 8.150 nan 0.000 0.453 260 D N -0.362 120.067 120.400 0.048 0.000 2.091 260 D HA 0.016 4.656 4.640 0.000 0.000 0.199 260 D C 0.684 177.015 176.300 0.052 0.000 0.980 260 D CA 0.971 54.996 54.000 0.043 0.000 0.831 260 D CB -0.217 40.606 40.800 0.038 0.000 0.987 260 D HN 0.217 nan 8.370 nan 0.000 0.460 261 V N 2.256 122.216 119.914 0.076 0.000 2.644 261 V HA 0.232 4.352 4.120 0.000 0.000 0.295 261 V C -1.996 174.164 176.094 0.111 0.000 1.053 261 V CA -1.640 60.709 62.300 0.083 0.000 0.987 261 V CB 1.287 33.186 31.823 0.126 0.000 1.006 261 V HN -0.069 nan 8.190 nan 0.000 0.472 262 P HA 0.128 nan 4.420 nan 0.000 0.271 262 P C -0.069 177.308 177.300 0.129 0.000 1.238 262 P CA -0.043 63.115 63.100 0.096 0.000 0.794 262 P CB 0.187 31.944 31.700 0.096 0.000 0.959 263 T N -2.152 112.440 114.554 0.064 0.000 2.913 263 T HA 0.145 4.495 4.350 0.000 0.000 0.287 263 T C 1.157 175.800 174.700 -0.096 0.000 1.008 263 T CA -0.548 61.539 62.100 -0.022 0.000 1.067 263 T CB 0.597 69.441 68.868 -0.040 0.000 0.996 263 T HN 0.335 nan 8.240 nan 0.000 0.513 264 Q N 0.179 119.731 119.800 -0.413 0.000 2.173 264 Q HA -0.116 4.224 4.340 0.000 0.000 0.208 264 Q C 1.891 177.869 176.000 -0.036 0.000 0.989 264 Q CA 1.082 56.611 55.803 -0.458 0.000 0.872 264 Q CB -0.243 27.935 28.738 -0.933 0.000 0.909 264 Q HN 0.565 nan 8.270 nan 0.000 0.420 265 L N 1.184 122.346 121.223 -0.102 0.000 2.201 265 L HA -0.104 4.236 4.340 0.000 0.000 0.212 265 L C 0.841 177.657 176.870 -0.090 0.000 1.105 265 L CA 1.275 56.074 54.840 -0.068 0.000 0.775 265 L CB -0.608 41.407 42.059 -0.074 0.000 0.913 265 L HN 0.180 nan 8.230 nan 0.000 0.440 266 D N 0.004 120.363 120.400 -0.069 0.000 2.885 266 D HA -0.025 4.615 4.640 0.000 0.000 0.234 266 D C 1.664 177.802 176.300 -0.270 0.000 1.129 266 D CA 0.021 53.960 54.000 -0.102 0.000 0.991 266 D CB -0.039 40.746 40.800 -0.024 0.000 1.137 266 D HN -0.011 nan 8.370 nan 0.000 0.459 267 V N 1.738 121.329 119.914 -0.538 0.000 2.313 267 V HA -0.367 3.753 4.120 0.000 0.000 0.253 267 V C 2.551 178.274 176.094 -0.618 0.000 1.070 267 V CA 2.183 63.798 62.300 -1.142 0.000 1.057 267 V CB -0.806 30.603 31.823 -0.689 0.000 0.653 267 V HN 0.576 nan 8.190 nan 0.000 0.450 268 A N 0.025 122.676 122.820 -0.281 0.000 2.076 268 A HA -0.074 4.246 4.320 0.000 0.000 0.220 268 A C 2.120 179.675 177.584 -0.050 0.000 1.160 268 A CA 1.787 53.749 52.037 -0.125 0.000 0.653 268 A CB -0.717 18.235 19.000 -0.079 0.000 0.801 268 A HN 0.629 nan 8.150 nan 0.000 0.455 269 G N -2.979 105.800 108.800 -0.034 0.000 3.284 269 G HA2 0.215 4.175 3.960 0.000 0.000 0.236 269 G HA3 0.215 4.175 3.960 0.000 0.000 0.236 269 G C 1.019 176.035 174.900 0.194 0.000 1.158 269 G CA -0.019 45.120 45.100 0.065 0.000 0.774 269 G HN 0.615 nan 8.290 nan 0.000 0.545 270 Y N 1.217 121.551 120.300 0.056 0.000 2.097 270 Y HA -0.148 4.402 4.550 0.000 0.000 0.282 270 Y C 0.340 176.297 175.900 0.095 0.000 1.152 270 Y CA 0.899 59.049 58.100 0.082 0.000 1.136 270 Y CB -0.691 37.819 38.460 0.084 0.000 0.975 270 Y HN 0.233 nan 8.280 nan 0.000 0.498 271 P HA -0.264 nan 4.420 nan 0.000 0.217 271 P C 1.303 178.737 177.300 0.224 0.000 1.151 271 P CA 1.985 65.213 63.100 0.215 0.000 0.849 271 P CB -0.149 31.639 31.700 0.146 0.000 0.787 272 Q N -1.079 118.815 119.800 0.157 0.000 2.049 272 Q HA -0.140 4.200 4.340 0.000 0.000 0.198 272 Q C 2.154 178.184 176.000 0.049 0.000 0.971 272 Q CA 1.247 57.109 55.803 0.099 0.000 0.833 272 Q CB -0.524 28.256 28.738 0.070 0.000 0.896 272 Q HN 0.148 nan 8.270 nan 0.000 0.434 273 M N -0.238 119.376 119.600 0.023 0.000 2.149 273 M HA -0.240 4.240 4.480 0.000 0.000 0.261 273 M C 1.913 178.024 176.300 -0.314 0.000 1.064 273 M CA 1.660 56.825 55.300 -0.226 0.000 1.102 273 M CB -0.257 32.234 32.600 -0.181 0.000 1.369 273 M HN 0.381 nan 8.290 nan 0.000 0.408 274 Y N 1.511 121.754 120.300 -0.095 0.000 2.145 274 Y HA -0.278 4.272 4.550 0.000 0.000 0.286 274 Y C 1.810 177.796 175.900 0.143 0.000 1.145 274 Y CA 2.154 60.323 58.100 0.114 0.000 1.148 274 Y CB -0.654 37.908 38.460 0.171 0.000 0.981 274 Y HN 0.366 nan 8.280 nan 0.000 0.507 275 D N 0.196 120.584 120.400 -0.020 0.000 2.097 275 D HA -0.179 4.461 4.640 0.000 0.000 0.195 275 D C 2.210 178.459 176.300 -0.086 0.000 0.989 275 D CA 1.792 55.720 54.000 -0.120 0.000 0.827 275 D CB -0.347 40.454 40.800 0.001 0.000 0.966 275 D HN 0.380 nan 8.370 nan 0.000 0.456 276 I N 0.529 121.062 120.570 -0.061 0.000 2.286 276 I HA -0.218 3.952 4.170 0.000 0.000 0.248 276 I C 2.349 178.510 176.117 0.074 0.000 1.115 276 I CA 0.984 62.274 61.300 -0.016 0.000 1.392 276 I CB -0.497 37.480 38.000 -0.038 0.000 1.065 276 I HN -0.001 nan 8.210 nan 0.000 0.418 277 F N -0.119 119.726 119.950 -0.174 0.000 2.163 277 F HA -0.196 4.331 4.527 0.000 0.000 0.297 277 F C 2.555 178.087 175.800 -0.448 0.000 1.094 277 F CA 0.460 58.228 58.000 -0.386 0.000 1.290 277 F CB -0.412 38.280 39.000 -0.513 0.000 1.017 277 F HN 0.055 nan 8.300 nan 0.000 0.483 278 A N 0.294 123.006 122.820 -0.180 0.000 1.902 278 A HA -0.267 4.053 4.320 0.000 0.000 0.217 278 A C 1.831 179.444 177.584 0.047 0.000 1.181 278 A CA 1.986 54.002 52.037 -0.035 0.000 0.623 278 A CB -0.810 18.073 19.000 -0.195 0.000 0.818 278 A HN 0.380 nan 8.150 nan 0.000 0.443 279 E N -0.059 120.144 120.200 0.006 0.000 2.013 279 E HA -0.261 4.089 4.350 0.000 0.000 0.202 279 E C 2.169 178.824 176.600 0.092 0.000 1.018 279 E CA 2.058 58.483 56.400 0.042 0.000 0.834 279 E CB -0.285 29.428 29.700 0.022 0.000 0.770 279 E HN 0.439 nan 8.360 nan 0.000 0.459 280 R N -1.081 119.458 120.500 0.065 0.000 2.096 280 R HA -0.130 4.210 4.340 0.000 0.000 0.240 280 R C 2.316 178.810 176.300 0.323 0.000 1.139 280 R CA 1.857 58.025 56.100 0.114 0.000 0.952 280 R CB -0.817 29.469 30.300 -0.024 0.000 0.854 280 R HN 0.259 nan 8.270 nan 0.000 0.436 281 F N -0.091 119.938 119.950 0.131 0.000 2.161 281 F HA -0.110 4.417 4.527 0.000 0.000 0.300 281 F C 2.133 178.230 175.800 0.495 0.000 1.089 281 F CA 1.415 59.511 58.000 0.159 0.000 1.282 281 F CB -0.560 38.316 39.000 -0.207 0.000 1.010 281 F HN 0.159 nan 8.300 nan 0.000 0.485 282 A N -1.112 121.978 122.820 0.451 0.000 2.238 282 A HA 0.034 4.354 4.320 0.000 0.000 0.208 282 A C 1.908 179.621 177.584 0.216 0.000 1.177 282 A CA 0.945 53.165 52.037 0.305 0.000 0.804 282 A CB -0.885 18.231 19.000 0.193 0.000 0.823 282 A HN 0.293 nan 8.150 nan 0.000 0.482 283 S N -0.907 114.929 115.700 0.227 0.000 2.577 283 S HA 0.357 4.827 4.470 0.000 0.000 0.219 283 S C 0.565 175.126 174.600 -0.065 0.000 0.962 283 S CA -0.527 57.717 58.200 0.072 0.000 0.921 283 S CB 0.068 63.300 63.200 0.053 0.000 0.789 283 S HN 0.525 nan 8.310 nan 0.000 0.497 284 R N 0.246 120.696 120.500 -0.083 0.000 2.781 284 R HA 0.457 4.798 4.340 0.000 0.000 0.269 284 R C -1.007 175.178 176.300 -0.191 0.000 1.025 284 R CA -0.505 55.364 56.100 -0.385 0.000 0.914 284 R CB 1.100 30.715 30.300 -1.141 0.000 1.236 284 R HN 0.323 nan 8.270 nan 0.000 0.465 285 T N -1.930 112.507 114.554 -0.195 0.000 2.913 285 T HA 0.184 4.534 4.350 0.000 0.000 0.287 285 T C 1.107 175.857 174.700 0.083 0.000 1.008 285 T CA -0.746 61.336 62.100 -0.030 0.000 1.067 285 T CB 1.804 70.644 68.868 -0.045 0.000 0.996 285 T HN 0.718 nan 8.240 nan 0.000 0.513 286 R N 1.122 121.719 120.500 0.161 0.000 2.119 286 R HA -0.216 4.124 4.340 0.000 0.000 0.246 286 R C 1.239 177.656 176.300 0.194 0.000 1.146 286 R CA 2.598 58.835 56.100 0.228 0.000 0.962 286 R CB -0.749 29.620 30.300 0.116 0.000 0.863 286 R HN 0.831 nan 8.270 nan 0.000 0.442 287 D N 0.087 120.543 120.400 0.093 0.000 2.103 287 D HA -0.192 4.448 4.640 0.000 0.000 0.190 287 D C 1.836 178.177 176.300 0.068 0.000 0.997 287 D CA 1.982 56.021 54.000 0.064 0.000 0.833 287 D CB -0.278 40.533 40.800 0.019 0.000 0.961 287 D HN 0.456 nan 8.370 nan 0.000 0.447 288 E N -0.169 120.028 120.200 -0.004 0.000 2.049 288 E HA -0.212 4.138 4.350 0.000 0.000 0.198 288 E C 2.226 178.857 176.600 0.051 0.000 1.007 288 E CA 1.083 57.437 56.400 -0.076 0.000 0.809 288 E CB -0.374 29.169 29.700 -0.262 0.000 0.749 288 E HN 0.472 nan 8.360 nan 0.000 0.450 289 W N 0.966 122.318 121.300 0.088 0.000 2.318 289 W HA -0.222 4.438 4.660 0.000 0.000 0.313 289 W C 2.720 179.371 176.519 0.220 0.000 1.221 289 W CA 1.093 58.553 57.345 0.192 0.000 1.266 289 W CB -0.402 29.238 29.460 0.300 0.000 1.150 289 W HN 0.073 nan 8.180 nan 0.000 0.496 290 T N 0.097 114.897 114.554 0.410 0.000 2.737 290 T HA -0.235 4.115 4.350 0.000 0.000 0.269 290 T C 1.563 176.381 174.700 0.197 0.000 1.040 290 T CA 1.549 63.803 62.100 0.258 0.000 1.142 290 T CB -0.295 68.666 68.868 0.155 0.000 0.861 290 T HN 0.181 nan 8.240 nan 0.000 0.456 291 R N 0.243 120.832 120.500 0.148 0.000 2.062 291 R HA -0.030 4.310 4.340 0.000 0.000 0.231 291 R C 2.544 178.881 176.300 0.062 0.000 1.136 291 R CA 1.074 57.219 56.100 0.076 0.000 0.948 291 R CB -0.848 29.468 30.300 0.027 0.000 0.845 291 R HN 0.234 nan 8.270 nan 0.000 0.430 292 V N 0.864 120.817 119.914 0.066 0.000 2.214 292 V HA -0.275 3.845 4.120 0.000 0.000 0.247 292 V C 1.933 177.961 176.094 -0.110 0.000 1.051 292 V CA 1.978 64.237 62.300 -0.069 0.000 1.003 292 V CB -0.598 31.160 31.823 -0.109 0.000 0.635 292 V HN 0.218 nan 8.190 nan 0.000 0.447 293 F N 0.804 120.817 119.950 0.105 0.000 2.771 293 F HA 0.301 4.828 4.527 0.000 0.000 0.299 293 F C 1.462 177.271 175.800 0.014 0.000 1.177 293 F CA 0.146 58.167 58.000 0.035 0.000 1.450 293 F CB -0.781 38.226 39.000 0.013 0.000 1.114 293 F HN 0.071 nan 8.300 nan 0.000 0.587 294 A N 0.404 123.320 122.820 0.159 0.000 2.546 294 A HA 0.377 4.697 4.320 0.000 0.000 0.243 294 A C 1.653 179.269 177.584 0.054 0.000 1.063 294 A CA 0.624 52.715 52.037 0.091 0.000 0.757 294 A CB -0.651 18.388 19.000 0.064 0.000 0.991 294 A HN 0.825 nan 8.150 nan 0.000 0.503 295 G N 1.837 110.655 108.800 0.030 0.000 2.302 295 G HA2 -0.267 3.693 3.960 0.000 0.000 0.263 295 G HA3 -0.267 3.693 3.960 0.000 0.000 0.263 295 G C 0.739 175.647 174.900 0.014 0.000 0.995 295 G CA 1.575 46.682 45.100 0.011 0.000 0.622 295 G HN 2.165 nan 8.290 nan 0.000 0.538 296 T N -1.655 112.922 114.554 0.039 0.000 2.904 296 T HA 0.531 4.881 4.350 0.000 0.000 0.290 296 T C 0.331 175.040 174.700 0.016 0.000 1.018 296 T CA 0.199 62.328 62.100 0.048 0.000 1.075 296 T CB 1.556 70.478 68.868 0.090 0.000 0.986 296 T HN -0.068 nan 8.240 nan 0.000 0.523 297 D N 1.273 121.682 120.400 0.015 0.000 2.395 297 D HA 0.267 4.907 4.640 0.000 0.000 0.250 297 D C 1.703 177.930 176.300 -0.121 0.000 1.203 297 D CA 0.107 54.044 54.000 -0.104 0.000 0.872 297 D CB -0.508 40.302 40.800 0.016 0.000 0.941 297 D HN 0.742 nan 8.370 nan 0.000 0.504 298 A N -0.684 122.138 122.820 0.004 0.000 2.168 298 A HA -0.059 4.261 4.320 0.000 0.000 0.215 298 A C 1.487 179.001 177.584 -0.116 0.000 1.152 298 A CA 0.074 52.133 52.037 0.038 0.000 0.716 298 A CB -0.390 18.747 19.000 0.228 0.000 0.794 298 A HN 0.422 nan 8.150 nan 0.000 0.465 299 C N -1.281 117.894 119.300 -0.209 0.000 4.350 299 C HA -0.102 4.358 4.460 0.000 0.000 0.302 299 C C 0.241 175.091 174.990 -0.233 0.000 1.390 299 C CA 0.274 59.156 59.018 -0.226 0.000 2.016 299 C CB -3.169 24.456 27.740 -0.192 0.000 1.271 299 C HN 0.430 nan 8.230 nan 0.000 0.760 300 V N 1.215 120.963 119.914 -0.277 0.000 2.376 300 V HA 0.710 4.830 4.120 0.000 0.000 0.287 300 V C 0.422 176.384 176.094 -0.219 0.000 1.015 300 V CA 0.346 62.405 62.300 -0.403 0.000 0.834 300 V CB 2.071 33.308 31.823 -0.976 0.000 1.001 300 V HN 0.590 nan 8.190 nan 0.000 0.428 301 T N 3.127 117.566 114.554 -0.193 0.000 2.916 301 T HA 0.719 5.069 4.350 0.000 0.000 0.292 301 T C -3.133 171.508 174.700 -0.098 0.000 1.064 301 T CA -2.417 59.617 62.100 -0.109 0.000 1.011 301 T CB 2.712 71.513 68.868 -0.112 0.000 1.152 301 T HN 0.418 nan 8.240 nan 0.000 0.510 302 P HA 0.343 nan 4.420 nan 0.000 0.285 302 P C -0.511 176.758 177.300 -0.051 0.000 1.259 302 P CA -0.510 62.579 63.100 -0.019 0.000 0.794 302 P CB 1.064 32.779 31.700 0.026 0.000 0.940 303 V N 5.260 125.145 119.914 -0.048 0.000 2.397 303 V HA 0.065 4.185 4.120 0.000 0.000 0.262 303 V C 0.864 176.921 176.094 -0.063 0.000 1.047 303 V CA 0.048 62.305 62.300 -0.072 0.000 1.003 303 V CB -0.468 31.330 31.823 -0.041 0.000 1.037 303 V HN 0.364 nan 8.190 nan 0.000 0.480 304 L N 4.366 125.530 121.223 -0.099 0.000 2.357 304 L HA 0.761 5.101 4.340 0.000 0.000 0.273 304 L C 0.673 177.439 176.870 -0.174 0.000 1.080 304 L CA -0.365 54.417 54.840 -0.096 0.000 0.803 304 L CB 1.208 43.223 42.059 -0.073 0.000 1.174 304 L HN 0.646 nan 8.230 nan 0.000 0.443 305 A N 1.205 123.945 122.820 -0.134 0.000 2.271 305 A HA 0.283 4.603 4.320 0.000 0.000 0.288 305 A C 0.460 177.951 177.584 -0.156 0.000 1.094 305 A CA -0.399 51.519 52.037 -0.199 0.000 0.828 305 A CB 0.182 19.144 19.000 -0.063 0.000 1.091 305 A HN 0.876 nan 8.150 nan 0.000 0.493 306 W N 0.675 121.980 121.300 0.008 0.000 2.290 306 W HA -0.267 4.393 4.660 0.000 0.000 0.323 306 W C 2.598 179.120 176.519 0.006 0.000 1.260 306 W CA 1.971 59.319 57.345 0.005 0.000 1.266 306 W CB -0.668 28.794 29.460 0.003 0.000 1.149 306 W HN 0.661 nan 8.180 nan 0.000 0.482 307 S N 0.113 115.953 115.700 0.233 0.000 2.365 307 S HA -0.257 4.213 4.470 0.000 0.000 0.225 307 S C 1.433 176.084 174.600 0.085 0.000 1.039 307 S CA 1.892 60.173 58.200 0.134 0.000 1.033 307 S CB -0.603 62.657 63.200 0.101 0.000 0.887 307 S HN 0.391 nan 8.310 nan 0.000 0.447 308 E N 1.140 121.373 120.200 0.054 0.000 2.110 308 E HA -0.075 4.275 4.350 0.000 0.000 0.193 308 E C 2.340 178.956 176.600 0.026 0.000 0.988 308 E CA 0.926 57.342 56.400 0.027 0.000 0.804 308 E CB -0.258 29.443 29.700 0.002 0.000 0.745 308 E HN 0.524 nan 8.360 nan 0.000 0.458 309 A N 1.491 124.327 122.820 0.026 0.000 1.898 309 A HA -0.088 4.232 4.320 0.000 0.000 0.216 309 A C 2.414 180.031 177.584 0.055 0.000 1.181 309 A CA 1.531 53.585 52.037 0.029 0.000 0.620 309 A CB -0.677 18.335 19.000 0.020 0.000 0.819 309 A HN 0.290 nan 8.150 nan 0.000 0.442 310 A N -0.343 122.525 122.820 0.080 0.000 2.076 310 A HA -0.196 4.124 4.320 0.000 0.000 0.220 310 A C 1.753 179.362 177.584 0.041 0.000 1.160 310 A CA 2.025 54.102 52.037 0.067 0.000 0.653 310 A CB -0.575 18.470 19.000 0.075 0.000 0.801 310 A HN 0.587 nan 8.150 nan 0.000 0.455 311 N N -0.861 117.861 118.700 0.038 0.000 2.214 311 N HA 0.042 4.782 4.740 0.000 0.000 0.214 311 N C -0.004 175.522 175.510 0.026 0.000 1.132 311 N CA -0.192 52.875 53.050 0.028 0.000 0.856 311 N CB -0.366 38.137 38.487 0.027 0.000 1.020 311 N HN 0.478 nan 8.380 nan 0.000 0.509 312 N N 0.163 118.881 118.700 0.030 0.000 2.458 312 N HA -0.034 4.706 4.740 0.000 0.000 0.258 312 N C 0.490 176.024 175.510 0.040 0.000 1.219 312 N CA 0.140 53.212 53.050 0.036 0.000 0.902 312 N CB 0.698 39.211 38.487 0.044 0.000 1.076 312 N HN 0.011 nan 8.380 nan 0.000 0.455 313 D N 0.911 121.341 120.400 0.050 0.000 2.092 313 D HA -0.193 4.447 4.640 0.000 0.000 0.193 313 D C 1.292 177.630 176.300 0.064 0.000 0.994 313 D CA 1.597 55.628 54.000 0.051 0.000 0.828 313 D CB -0.471 40.364 40.800 0.057 0.000 0.963 313 D HN 0.722 nan 8.370 nan 0.000 0.450 314 H N -0.074 118.997 119.070 0.002 0.000 2.253 314 H HA -0.061 4.495 4.556 0.000 0.000 0.296 314 H C 1.877 177.206 175.328 0.001 0.000 1.074 314 H CA 1.260 57.307 56.048 -0.001 0.000 1.263 314 H CB -0.568 29.191 29.762 -0.005 0.000 1.363 314 H HN -0.021 nan 8.280 nan 0.000 0.489 315 L N 0.749 121.943 121.223 -0.048 0.000 2.263 315 L HA -0.168 4.172 4.340 0.000 0.000 0.216 315 L C 2.379 179.194 176.870 -0.092 0.000 1.111 315 L CA 1.606 56.393 54.840 -0.089 0.000 0.773 315 L CB -0.429 41.635 42.059 0.007 0.000 0.906 315 L HN 0.282 nan 8.230 nan 0.000 0.439 316 K N -1.304 119.059 120.400 -0.062 0.000 2.044 316 K HA 0.008 4.328 4.320 0.000 0.000 0.204 316 K C 2.198 178.757 176.600 -0.069 0.000 1.049 316 K CA 0.967 57.227 56.287 -0.046 0.000 0.945 316 K CB -0.208 32.282 32.500 -0.017 0.000 0.724 316 K HN 0.284 nan 8.250 nan 0.000 0.440 317 A N 1.989 124.757 122.820 -0.086 0.000 1.859 317 A HA -0.206 4.114 4.320 0.000 0.000 0.217 317 A C 1.953 179.469 177.584 -0.113 0.000 1.198 317 A CA 1.567 53.554 52.037 -0.084 0.000 0.629 317 A CB -0.562 18.395 19.000 -0.073 0.000 0.830 317 A HN 0.253 nan 8.150 nan 0.000 0.446 318 R N 0.413 120.791 120.500 -0.203 0.000 2.339 318 R HA 0.020 4.360 4.340 0.000 0.000 0.199 318 R C 0.679 176.913 176.300 -0.111 0.000 1.018 318 R CA 0.727 56.723 56.100 -0.173 0.000 1.036 318 R CB -0.502 29.638 30.300 -0.267 0.000 0.899 318 R HN 0.876 nan 8.270 nan 0.000 0.473 319 S N -0.957 114.686 115.700 -0.095 0.000 3.524 319 S HA -0.194 4.276 4.470 0.000 0.000 0.377 319 S C 0.578 175.149 174.600 -0.049 0.000 0.949 319 S CA 1.003 59.167 58.200 -0.059 0.000 1.264 319 S CB -2.038 61.135 63.200 -0.044 0.000 0.918 319 S HN 0.347 nan 8.310 nan 0.000 0.517 320 T N 0.332 114.854 114.554 -0.054 0.000 2.814 320 T HA 0.166 4.516 4.350 0.000 0.000 0.254 320 T C 1.080 175.776 174.700 -0.006 0.000 1.037 320 T CA 1.117 63.200 62.100 -0.028 0.000 1.143 320 T CB -0.132 68.721 68.868 -0.024 0.000 0.866 320 T HN 1.426 nan 8.240 nan 0.000 0.431 321 V N 2.523 122.437 119.914 0.000 0.000 2.294 321 V HA 0.655 4.775 4.120 0.000 0.000 0.272 321 V C -0.265 175.830 176.094 0.001 0.000 1.027 321 V CA -1.437 60.873 62.300 0.016 0.000 0.823 321 V CB -0.396 31.454 31.823 0.044 0.000 1.030 321 V HN 0.442 nan 8.190 nan 0.000 0.457 322 I N 1.352 121.916 120.570 -0.010 0.000 2.750 322 I HA 0.750 4.920 4.170 0.000 0.000 0.308 322 I C 0.029 176.132 176.117 -0.023 0.000 1.016 322 I CA -0.501 60.786 61.300 -0.022 0.000 1.098 322 I CB 2.410 40.388 38.000 -0.037 0.000 1.279 322 I HN 0.346 nan 8.210 nan 0.000 0.454 323 T N 4.083 118.621 114.554 -0.027 0.000 2.910 323 T HA 0.594 4.944 4.350 0.000 0.000 0.323 323 T C 0.085 174.751 174.700 -0.056 0.000 1.091 323 T CA -0.389 61.697 62.100 -0.024 0.000 0.960 323 T CB 0.387 69.250 68.868 -0.009 0.000 1.024 323 T HN 0.739 nan 8.240 nan 0.000 0.509 324 A N 3.153 125.923 122.820 -0.083 0.000 2.310 324 A HA 0.532 4.852 4.320 0.000 0.000 0.299 324 A C 0.292 177.812 177.584 -0.106 0.000 1.147 324 A CA -0.917 50.983 52.037 -0.229 0.000 0.818 324 A CB -0.265 18.538 19.000 -0.327 0.000 1.096 324 A HN 0.975 nan 8.150 nan 0.000 0.495 325 H N 0.365 119.435 119.070 -0.001 0.000 1.798 325 H HA 0.119 4.675 4.556 0.000 0.000 0.300 325 H C 0.967 176.294 175.328 -0.002 0.000 0.686 325 H CA 0.850 56.897 56.048 -0.001 0.000 1.204 325 H CB -1.238 28.523 29.762 -0.001 0.000 1.383 325 H HN 1.912 nan 8.280 nan 0.000 0.311 326 G N 0.572 109.459 108.800 0.146 0.000 2.039 326 G HA2 -0.028 3.932 3.960 0.000 0.000 0.207 326 G HA3 -0.028 3.932 3.960 0.000 0.000 0.207 326 G C -0.426 174.508 174.900 0.057 0.000 1.133 326 G CA -0.053 45.101 45.100 0.091 0.000 1.296 326 G HN 0.896 nan 8.290 nan 0.000 0.459 327 V N 0.781 120.726 119.914 0.051 0.000 3.166 327 V HA 0.695 4.815 4.120 0.000 0.000 0.317 327 V C 0.360 176.464 176.094 0.016 0.000 1.136 327 V CA -0.851 61.464 62.300 0.025 0.000 1.035 327 V CB 1.301 33.130 31.823 0.011 0.000 1.110 327 V HN 0.771 nan 8.190 nan 0.000 0.450 328 Q N 2.004 121.809 119.800 0.007 0.000 2.330 328 Q HA 0.402 4.742 4.340 0.000 0.000 0.279 328 Q C -0.269 175.728 176.000 -0.005 0.000 1.024 328 Q CA 0.076 55.882 55.803 0.005 0.000 0.900 328 Q CB 0.357 29.105 28.738 0.017 0.000 1.221 328 Q HN 0.786 nan 8.270 nan 0.000 0.396 329 Q N -0.195 119.602 119.800 -0.005 0.000 2.814 329 Q HA 0.735 5.075 4.340 0.000 0.000 0.322 329 Q C -1.838 174.160 176.000 -0.003 0.000 0.861 329 Q CA -1.150 54.645 55.803 -0.013 0.000 0.773 329 Q CB 1.017 29.746 28.738 -0.015 0.000 1.423 329 Q HN 0.539 nan 8.270 nan 0.000 0.495 330 A N 0.545 123.362 122.820 -0.006 0.000 2.276 330 A HA 0.762 5.082 4.320 0.000 0.000 0.316 330 A C -0.063 177.518 177.584 -0.005 0.000 1.229 330 A CA -0.001 52.039 52.037 0.005 0.000 0.851 330 A CB 0.773 19.782 19.000 0.016 0.000 1.165 330 A HN 0.799 nan 8.150 nan 0.000 0.513 331 A N 3.956 126.772 122.820 -0.005 0.000 2.425 331 A HA 0.572 4.892 4.320 0.000 0.000 0.242 331 A C -2.074 175.509 177.584 -0.001 0.000 1.077 331 A CA -0.916 51.115 52.037 -0.009 0.000 0.781 331 A CB -0.754 18.239 19.000 -0.013 0.000 1.020 331 A HN 0.664 nan 8.150 nan 0.000 0.494 332 P HA 0.374 nan 4.420 nan 0.000 0.269 332 P C -0.434 176.885 177.300 0.030 0.000 1.211 332 P CA 0.695 63.806 63.100 0.018 0.000 0.781 332 P CB 0.576 32.296 31.700 0.034 0.000 0.877 333 A N 1.511 124.357 122.820 0.042 0.000 2.605 333 A HA 0.658 4.978 4.320 0.000 0.000 0.294 333 A C -2.692 174.925 177.584 0.056 0.000 1.062 333 A CA -0.909 51.147 52.037 0.031 0.000 0.682 333 A CB 0.378 19.384 19.000 0.010 0.000 1.278 333 A HN 0.445 nan 8.150 nan 0.000 0.410 334 P HA 0.492 nan 4.420 nan 0.000 0.289 334 P C -0.964 176.215 177.300 -0.201 0.000 1.299 334 P CA -0.408 62.606 63.100 -0.143 0.000 0.766 334 P CB 0.539 32.080 31.700 -0.264 0.000 1.226 335 R N -0.332 120.002 120.500 -0.276 0.000 2.346 335 R HA 0.522 4.862 4.340 0.000 0.000 0.311 335 R C -0.536 175.551 176.300 -0.355 0.000 0.983 335 R CA -0.372 55.624 56.100 -0.174 0.000 0.880 335 R CB 0.607 30.863 30.300 -0.075 0.000 1.100 335 R HN 0.370 nan 8.270 nan 0.000 0.453 336 F N 0.085 120.036 119.950 0.001 0.000 2.450 336 F HA 0.153 4.680 4.527 0.000 0.000 0.332 336 F C 1.691 177.493 175.800 0.003 0.000 1.093 336 F CA -0.505 57.497 58.000 0.003 0.000 1.003 336 F CB 1.949 40.951 39.000 0.003 0.000 1.151 336 F HN 0.570 nan 8.300 nan 0.000 0.474 337 S N 1.317 117.108 115.700 0.152 0.000 2.425 337 S HA -0.020 4.450 4.470 0.000 0.000 0.225 337 S C 1.767 176.419 174.600 0.086 0.000 1.024 337 S CA 0.486 58.739 58.200 0.089 0.000 0.951 337 S CB -0.074 63.159 63.200 0.054 0.000 0.796 337 S HN 0.758 nan 8.310 nan 0.000 0.498 338 R N 1.426 121.987 120.500 0.102 0.000 2.250 338 R HA 0.090 4.430 4.340 0.000 0.000 0.194 338 R C 0.184 176.515 176.300 0.051 0.000 0.927 338 R CA 1.294 57.433 56.100 0.065 0.000 1.052 338 R CB 0.377 30.709 30.300 0.053 0.000 1.055 338 R HN 0.534 nan 8.270 nan 0.000 0.537 339 T N 0.175 114.766 114.554 0.063 0.000 3.532 339 T HA 0.394 4.744 4.350 0.000 0.000 0.241 339 T C -2.439 172.265 174.700 0.007 0.000 1.238 339 T CA -1.770 60.328 62.100 -0.002 0.000 1.405 339 T CB 1.125 69.945 68.868 -0.079 0.000 0.971 339 T HN 0.014 nan 8.240 nan 0.000 0.640 340 P HA 0.317 nan 4.420 nan 0.000 0.273 340 P C -0.060 177.275 177.300 0.059 0.000 1.258 340 P CA -0.274 62.902 63.100 0.127 0.000 0.802 340 P CB 0.509 32.267 31.700 0.097 0.000 1.040 341 A N 0.573 123.445 122.820 0.086 0.000 2.331 341 A HA 0.550 4.870 4.320 0.000 0.000 0.283 341 A C 0.952 178.551 177.584 0.025 0.000 1.142 341 A CA -0.042 52.020 52.037 0.042 0.000 0.812 341 A CB -0.399 18.640 19.000 0.064 0.000 1.074 341 A HN 0.619 nan 8.150 nan 0.000 0.497 342 G N 1.861 110.668 108.800 0.011 0.000 2.684 342 G HA2 0.458 4.418 3.960 0.000 0.000 0.255 342 G HA3 0.458 4.418 3.960 0.000 0.000 0.255 342 G C -1.958 172.947 174.900 0.007 0.000 1.219 342 G CA -0.812 44.294 45.100 0.009 0.000 0.901 342 G HN 0.683 nan 8.290 nan 0.000 0.548 343 P HA 0.143 nan 4.420 nan 0.000 0.269 343 P C 0.257 177.552 177.300 -0.008 0.000 1.209 343 P CA -0.180 62.912 63.100 -0.014 0.000 0.776 343 P CB 0.863 32.551 31.700 -0.020 0.000 0.876 344 V N 1.067 120.961 119.914 -0.034 0.000 2.529 344 V HA 0.228 4.348 4.120 0.000 0.000 0.292 344 V C 0.819 176.957 176.094 0.074 0.000 1.028 344 V CA -0.356 61.941 62.300 -0.005 0.000 1.074 344 V CB -0.584 31.220 31.823 -0.032 0.000 0.958 344 V HN 0.411 nan 8.190 nan 0.000 0.481 345 R N 5.618 126.208 120.500 0.150 0.000 2.546 345 R HA 0.535 4.875 4.340 0.000 0.000 0.266 345 R C -2.263 174.202 176.300 0.274 0.000 1.086 345 R CA -1.632 54.623 56.100 0.259 0.000 1.160 345 R CB 0.980 31.347 30.300 0.110 0.000 1.138 345 R HN 0.641 nan 8.270 nan 0.000 0.567 346 P HA 0.295 nan 4.420 nan 0.000 0.280 346 P C -2.689 174.597 177.300 -0.023 0.000 1.272 346 P CA -1.945 61.107 63.100 -0.080 0.000 0.819 346 P CB 0.500 31.885 31.700 -0.525 0.000 1.122 347 P HA 0.224 nan 4.420 nan 0.000 0.272 347 P C -2.324 174.970 177.300 -0.010 0.000 1.230 347 P CA -1.190 61.926 63.100 0.027 0.000 0.788 347 P CB -1.393 30.337 31.700 0.050 0.000 0.949 348 P HA -0.051 nan 4.420 nan 0.000 0.257 348 P C 0.353 177.631 177.300 -0.037 0.000 1.189 348 P CA 0.727 63.806 63.100 -0.034 0.000 0.780 348 P CB -0.023 31.646 31.700 -0.052 0.000 0.772 349 A N 3.774 126.567 122.820 -0.045 0.000 2.015 349 A HA 0.285 4.605 4.320 0.000 0.000 0.219 349 A C 0.995 178.556 177.584 -0.037 0.000 1.163 349 A CA 1.713 53.724 52.037 -0.044 0.000 0.646 349 A CB -0.312 18.658 19.000 -0.051 0.000 0.806 349 A HN 0.585 nan 8.150 nan 0.000 0.448 350 A N -2.268 120.527 122.820 -0.041 0.000 2.594 350 A HA 0.647 4.967 4.320 0.000 0.000 0.296 350 A C -0.143 177.412 177.584 -0.047 0.000 1.061 350 A CA -0.148 51.865 52.037 -0.039 0.000 0.689 350 A CB 0.023 19.002 19.000 -0.035 0.000 1.280 350 A HN 1.508 nan 8.150 nan 0.000 0.406 351 A N 1.107 123.898 122.820 -0.048 0.000 2.540 351 A HA 0.533 4.853 4.320 0.000 0.000 0.239 351 A C 0.851 178.401 177.584 -0.057 0.000 1.061 351 A CA 0.922 52.925 52.037 -0.057 0.000 0.758 351 A CB -0.422 18.547 19.000 -0.052 0.000 0.991 351 A HN 2.095 nan 8.150 nan 0.000 0.502 352 T N 1.980 116.493 114.554 -0.069 0.000 2.845 352 T HA 0.519 4.869 4.350 0.000 0.000 0.288 352 T C -1.608 173.045 174.700 -0.078 0.000 0.980 352 T CA -1.471 60.584 62.100 -0.074 0.000 1.071 352 T CB 0.983 69.797 68.868 -0.089 0.000 0.941 352 T HN 0.412 nan 8.240 nan 0.000 0.487 353 P HA -0.120 nan 4.420 nan 0.000 0.224 353 P C 1.053 178.305 177.300 -0.080 0.000 0.880 353 P CA 1.401 64.462 63.100 -0.066 0.000 1.070 353 P CB 0.100 31.763 31.700 -0.062 0.000 0.652 354 I N -5.920 114.594 120.570 -0.094 0.000 5.212 354 I HA -0.052 4.119 4.170 0.000 0.000 0.355 354 I C 0.289 176.336 176.117 -0.116 0.000 0.746 354 I CA 0.401 61.635 61.300 -0.111 0.000 1.657 354 I CB -0.446 37.507 38.000 -0.078 0.000 2.962 354 I HN -0.136 nan 8.210 nan 0.000 0.945 355 D N 1.673 122.021 120.400 -0.086 0.000 2.340 355 D HA 0.049 4.689 4.640 0.000 0.000 0.220 355 D C 0.912 177.161 176.300 -0.085 0.000 1.039 355 D CA 0.703 54.658 54.000 -0.075 0.000 0.866 355 D CB 0.329 41.100 40.800 -0.049 0.000 0.913 355 D HN 0.473 nan 8.370 nan 0.000 0.523 356 E N 0.317 120.456 120.200 -0.102 0.000 2.394 356 E HA 0.094 4.444 4.350 0.000 0.000 0.191 356 E C 1.494 178.004 176.600 -0.150 0.000 1.044 356 E CA -0.209 56.131 56.400 -0.101 0.000 0.939 356 E CB 0.290 29.940 29.700 -0.083 0.000 1.089 356 E HN 0.520 nan 8.360 nan 0.000 0.456 357 I N -0.246 120.196 120.570 -0.214 0.000 2.373 357 I HA -0.190 3.980 4.170 0.000 0.000 0.150 357 I C 1.547 177.474 176.117 -0.316 0.000 0.990 357 I CA 1.592 62.664 61.300 -0.380 0.000 1.320 357 I CB -0.276 37.418 38.000 -0.511 0.000 1.102 357 I HN 0.133 nan 8.210 nan 0.000 0.423 358 N N -3.775 114.762 118.700 -0.270 0.000 2.444 358 N HA -0.045 4.695 4.740 0.000 0.000 0.335 358 N C -0.448 175.178 175.510 0.193 0.000 1.190 358 N CA -0.088 52.946 53.050 -0.026 0.000 2.067 358 N CB -0.111 38.405 38.487 0.048 0.000 2.132 358 N HN 0.573 nan 8.380 nan 0.000 1.114 359 W N 0.000 121.295 121.300 -0.008 0.000 2.388 359 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 359 W CA 0.000 57.341 57.345 -0.007 0.000 1.226 359 W CB 0.000 29.455 29.460 -0.008 0.000 1.126 359 W HN 0.000 nan 8.180 nan 0.000 0.535