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 1v5b_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKMKLAVLPG DGIGPEVMDA AIRVLKTVLD NDGHEAVFEN ALIGGAAIDE DATA SEQUENCE AGTPLPEETL DICRRSDAIL LGAVGGPKWD HNPASLRPEK GLLGLRKEMG DATA SEQUENCE LFANLRPVKA YATLLNASPL KRERVENVDL VIVRELTGGL YFGRPSERRG DATA SEQUENCE PGENEVVDTL AYTREEIERI IEKAFQLAQI RRKKLASVDK ANVLESSRMW DATA SEQUENCE REIAEETAKK YPDVELSHML VDSTAMQLIA NPGQFDVIVT ENMFGDILSD DATA SEQUENCE LASVITGSLG MLPSASLRSD RFGMYEPVHG SAPDIAGQGK ANPLGTVLSA DATA SEQUENCE ALMLRYSFGL EKEAAAIEKA VDDVLQDGYC TGDLQVANGK VVSTIELTDR DATA SEQUENCE LIEKLNN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.274 176.300 -0.043 0.000 1.140 1 M CA 0.000 55.376 55.300 0.127 0.000 0.988 1 M CB 0.000 32.632 32.600 0.053 0.000 1.302 2 K N 2.851 123.211 120.400 -0.067 0.000 2.379 2 K HA 0.466 4.786 4.320 -0.000 0.000 0.284 2 K C -0.543 175.933 176.600 -0.207 0.000 1.044 2 K CA 0.239 56.460 56.287 -0.109 0.000 0.974 2 K CB -0.073 32.390 32.500 -0.062 0.000 0.962 2 K HN 0.642 nan 8.250 nan 0.000 0.474 3 M N 0.661 120.092 119.600 -0.281 0.000 2.531 3 M HA 0.449 4.929 4.480 -0.000 0.000 0.286 3 M C -0.907 175.224 176.300 -0.281 0.000 1.232 3 M CA -0.991 54.067 55.300 -0.404 0.000 0.877 3 M CB 2.513 34.579 32.600 -0.891 0.000 1.726 3 M HN 0.166 nan 8.290 nan 0.000 0.463 4 K N 2.548 122.844 120.400 -0.174 0.000 2.221 4 K HA 0.806 5.126 4.320 -0.000 0.000 0.258 4 K C -1.972 174.560 176.600 -0.114 0.000 0.944 4 K CA -0.614 55.600 56.287 -0.121 0.000 0.823 4 K CB 1.647 34.129 32.500 -0.029 0.000 1.113 4 K HN 0.862 nan 8.250 nan 0.000 0.431 5 L N 2.510 123.620 121.223 -0.189 0.000 2.386 5 L HA 0.565 4.905 4.340 -0.000 0.000 0.271 5 L C -0.630 176.213 176.870 -0.045 0.000 0.993 5 L CA -1.120 53.621 54.840 -0.164 0.000 0.819 5 L CB 2.087 43.906 42.059 -0.399 0.000 1.294 5 L HN 0.682 nan 8.230 nan 0.000 0.414 6 A N 3.195 126.019 122.820 0.008 0.000 2.256 6 A HA 0.662 4.982 4.320 -0.000 0.000 0.317 6 A C -0.505 177.124 177.584 0.076 0.000 1.318 6 A CA -0.437 51.634 52.037 0.058 0.000 0.894 6 A CB 0.779 19.823 19.000 0.072 0.000 1.165 6 A HN 0.402 nan 8.150 nan 0.000 0.525 7 V N 4.128 124.109 119.914 0.111 0.000 2.364 7 V HA 0.290 4.410 4.120 -0.000 0.000 0.272 7 V C -0.624 175.520 176.094 0.083 0.000 1.036 7 V CA -0.134 62.239 62.300 0.122 0.000 0.880 7 V CB 0.898 32.830 31.823 0.182 0.000 0.991 7 V HN 0.685 nan 8.190 nan 0.000 0.460 8 L N 9.193 130.456 121.223 0.067 0.000 2.445 8 L HA 0.394 4.734 4.340 -0.000 0.000 0.252 8 L C -1.086 175.805 176.870 0.036 0.000 1.105 8 L CA -1.322 53.545 54.840 0.044 0.000 0.943 8 L CB 1.292 43.372 42.059 0.036 0.000 1.277 8 L HN 0.367 nan 8.230 nan 0.000 0.465 9 P HA -0.137 nan 4.420 nan 0.000 0.215 9 P C 0.860 178.173 177.300 0.022 0.000 1.157 9 P CA 1.701 64.822 63.100 0.034 0.000 0.874 9 P CB 0.552 32.272 31.700 0.032 0.000 0.790 10 G N 0.212 109.015 108.800 0.004 0.000 2.527 10 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.227 10 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.227 10 G C -0.659 174.228 174.900 -0.021 0.000 1.291 10 G CA 0.132 45.217 45.100 -0.025 0.000 0.904 10 G HN 0.293 nan 8.290 nan 0.000 0.577 11 D N 0.798 121.175 120.400 -0.037 0.000 2.496 11 D HA 0.505 5.144 4.640 -0.000 0.000 0.283 11 D C 1.698 178.035 176.300 0.062 0.000 1.214 11 D CA 0.888 54.891 54.000 0.005 0.000 1.089 11 D CB -0.299 40.472 40.800 -0.049 0.000 1.141 11 D HN 1.654 nan 8.370 nan 0.000 0.580 12 G N 0.795 109.660 108.800 0.109 0.000 2.684 12 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.342 12 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.342 12 G C 1.193 176.136 174.900 0.072 0.000 1.316 12 G CA 1.173 46.331 45.100 0.098 0.000 0.994 12 G HN 0.684 nan 8.290 nan 0.000 0.541 13 I N -0.070 120.537 120.570 0.061 0.000 3.111 13 I HA 0.272 4.442 4.170 -0.000 0.000 0.272 13 I C 2.439 178.591 176.117 0.060 0.000 1.268 13 I CA 1.466 62.794 61.300 0.047 0.000 1.467 13 I CB -0.940 37.072 38.000 0.021 0.000 1.087 13 I HN 0.671 nan 8.210 nan 0.000 0.467 14 G N 3.424 112.267 108.800 0.072 0.000 2.703 14 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.222 14 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.222 14 G C -0.075 174.858 174.900 0.055 0.000 1.183 14 G CA 1.665 46.806 45.100 0.070 0.000 0.775 14 G HN 0.442 nan 8.290 nan 0.000 0.615 15 P HA -0.068 nan 4.420 nan 0.000 0.218 15 P C 1.327 178.642 177.300 0.026 0.000 1.149 15 P CA 1.626 64.745 63.100 0.032 0.000 0.817 15 P CB -0.046 31.672 31.700 0.029 0.000 0.785 16 E N 0.305 120.521 120.200 0.027 0.000 2.015 16 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 16 E C 2.127 178.741 176.600 0.023 0.000 0.991 16 E CA 1.539 57.950 56.400 0.018 0.000 0.802 16 E CB -0.728 28.981 29.700 0.014 0.000 0.759 16 E HN 0.154 nan 8.360 nan 0.000 0.447 17 V N -0.650 119.289 119.914 0.041 0.000 2.913 17 V HA -0.149 3.971 4.120 -0.000 0.000 0.260 17 V C 2.087 178.216 176.094 0.058 0.000 1.098 17 V CA 1.458 63.792 62.300 0.058 0.000 1.121 17 V CB -0.291 31.596 31.823 0.108 0.000 0.714 17 V HN 0.134 nan 8.190 nan 0.000 0.487 18 M N 0.788 120.418 119.600 0.050 0.000 2.334 18 M HA 0.069 4.549 4.480 -0.000 0.000 0.266 18 M C 1.755 178.069 176.300 0.025 0.000 1.082 18 M CA 1.594 56.923 55.300 0.048 0.000 1.141 18 M CB -0.613 32.017 32.600 0.049 0.000 1.380 18 M HN 0.453 nan 8.290 nan 0.000 0.440 19 D N -0.133 120.270 120.400 0.006 0.000 2.097 19 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 19 D C 1.775 178.062 176.300 -0.021 0.000 0.984 19 D CA 1.594 55.580 54.000 -0.024 0.000 0.826 19 D CB 0.154 40.939 40.800 -0.025 0.000 0.973 19 D HN 0.422 nan 8.370 nan 0.000 0.460 20 A N 1.357 124.175 122.820 -0.004 0.000 1.892 20 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 20 A C 2.434 180.023 177.584 0.008 0.000 1.188 20 A CA 2.832 54.867 52.037 -0.002 0.000 0.631 20 A CB -0.993 18.011 19.000 0.007 0.000 0.822 20 A HN 0.360 nan 8.150 nan 0.000 0.447 21 A N -0.014 122.822 122.820 0.027 0.000 1.841 21 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 21 A C 2.156 179.775 177.584 0.058 0.000 1.199 21 A CA 1.707 53.772 52.037 0.047 0.000 0.621 21 A CB -0.803 18.237 19.000 0.066 0.000 0.835 21 A HN 0.515 nan 8.150 nan 0.000 0.445 22 I N -0.901 119.696 120.570 0.045 0.000 2.151 22 I HA -0.345 3.825 4.170 -0.000 0.000 0.243 22 I C 2.884 178.973 176.117 -0.047 0.000 1.080 22 I CA 1.865 63.166 61.300 0.002 0.000 1.339 22 I CB -0.428 37.448 38.000 -0.208 0.000 1.039 22 I HN 0.346 nan 8.210 nan 0.000 0.409 23 R N 0.095 120.559 120.500 -0.061 0.000 2.070 23 R HA -0.133 4.207 4.340 -0.000 0.000 0.233 23 R C 2.256 178.550 176.300 -0.010 0.000 1.137 23 R CA 1.471 57.540 56.100 -0.052 0.000 0.945 23 R CB -0.552 29.718 30.300 -0.049 0.000 0.845 23 R HN 0.212 nan 8.270 nan 0.000 0.430 24 V N 1.341 121.257 119.914 0.004 0.000 2.626 24 V HA -0.180 3.940 4.120 -0.000 0.000 0.252 24 V C 2.085 178.201 176.094 0.036 0.000 1.067 24 V CA 1.077 63.385 62.300 0.014 0.000 1.081 24 V CB -0.363 31.466 31.823 0.011 0.000 0.686 24 V HN 0.224 nan 8.190 nan 0.000 0.468 25 L N 0.069 121.333 121.223 0.067 0.000 2.093 25 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 25 L C 2.294 179.238 176.870 0.123 0.000 1.085 25 L CA 1.900 56.805 54.840 0.108 0.000 0.755 25 L CB -0.622 41.558 42.059 0.202 0.000 0.904 25 L HN 0.231 nan 8.230 nan 0.000 0.435 26 K N -1.681 118.794 120.400 0.126 0.000 2.116 26 K HA -0.048 4.271 4.320 -0.000 0.000 0.203 26 K C 1.859 178.491 176.600 0.054 0.000 1.052 26 K CA 1.433 57.786 56.287 0.110 0.000 0.952 26 K CB -0.297 32.247 32.500 0.074 0.000 0.729 26 K HN 0.272 nan 8.250 nan 0.000 0.446 27 T N 1.348 115.920 114.554 0.031 0.000 2.685 27 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 27 T C 2.013 176.722 174.700 0.015 0.000 1.034 27 T CA 1.934 64.042 62.100 0.014 0.000 1.149 27 T CB -0.299 68.571 68.868 0.004 0.000 0.860 27 T HN 0.213 nan 8.240 nan 0.000 0.449 28 V N -0.862 119.068 119.914 0.026 0.000 2.878 28 V HA 0.162 4.282 4.120 -0.000 0.000 0.250 28 V C 2.207 178.327 176.094 0.042 0.000 1.075 28 V CA 0.701 63.018 62.300 0.028 0.000 1.096 28 V CB -0.989 30.853 31.823 0.032 0.000 0.724 28 V HN 0.365 nan 8.190 nan 0.000 0.467 29 L N 1.843 123.100 121.223 0.057 0.000 1.937 29 L HA -0.152 4.188 4.340 -0.000 0.000 0.213 29 L C 2.734 179.614 176.870 0.017 0.000 1.077 29 L CA 2.468 57.356 54.840 0.079 0.000 0.758 29 L CB -0.958 41.143 42.059 0.069 0.000 0.888 29 L HN 0.512 nan 8.230 nan 0.000 0.433 30 D N -0.749 119.657 120.400 0.010 0.000 2.403 30 D HA -0.213 4.427 4.640 -0.000 0.000 0.227 30 D C 1.422 177.699 176.300 -0.038 0.000 0.995 30 D CA 0.929 54.918 54.000 -0.018 0.000 0.928 30 D CB -0.449 40.350 40.800 -0.001 0.000 0.887 30 D HN 0.336 nan 8.370 nan 0.000 0.529 31 N N 0.183 118.862 118.700 -0.035 0.000 2.415 31 N HA -0.096 4.644 4.740 -0.000 0.000 0.174 31 N C 1.160 176.628 175.510 -0.070 0.000 1.048 31 N CA 0.606 53.633 53.050 -0.039 0.000 0.895 31 N CB 0.232 38.708 38.487 -0.018 0.000 1.036 31 N HN -0.015 nan 8.380 nan 0.000 0.449 32 D N -1.518 118.813 120.400 -0.115 0.000 2.338 32 D HA 0.203 4.843 4.640 -0.000 0.000 0.208 32 D C 0.814 176.892 176.300 -0.370 0.000 0.997 32 D CA 1.071 54.946 54.000 -0.209 0.000 0.880 32 D CB 0.693 41.377 40.800 -0.193 0.000 0.980 32 D HN 0.438 nan 8.370 nan 0.000 0.509 33 G N 0.194 108.781 108.800 -0.356 0.000 2.367 33 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.181 33 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.181 33 G C 0.299 175.037 174.900 -0.269 0.000 1.000 33 G CA -0.450 44.469 45.100 -0.302 0.000 0.693 33 G HN 0.263 nan 8.290 nan 0.000 0.480 34 H N 0.812 119.854 119.070 -0.047 0.000 2.603 34 H HA 0.657 5.213 4.556 -0.000 0.000 0.370 34 H C 0.242 175.527 175.328 -0.071 0.000 1.225 34 H CA 0.584 56.588 56.048 -0.073 0.000 1.410 34 H CB 1.365 31.066 29.762 -0.102 0.000 1.495 34 H HN 0.482 nan 8.280 nan 0.000 0.602 35 E N -0.554 119.670 120.200 0.041 0.000 2.316 35 E HA 0.688 5.038 4.350 -0.000 0.000 0.258 35 E C -1.520 175.035 176.600 -0.075 0.000 0.952 35 E CA -1.080 55.314 56.400 -0.010 0.000 0.818 35 E CB 1.909 31.599 29.700 -0.016 0.000 1.260 35 E HN 0.764 nan 8.360 nan 0.000 0.416 36 A N 1.108 123.887 122.820 -0.068 0.000 2.549 36 A HA 0.372 4.692 4.320 -0.000 0.000 0.306 36 A C -1.833 175.687 177.584 -0.108 0.000 1.053 36 A CA -0.630 51.304 52.037 -0.171 0.000 0.892 36 A CB 0.778 19.601 19.000 -0.295 0.000 1.329 36 A HN 0.285 nan 8.150 nan 0.000 0.388 37 V N 4.062 123.900 119.914 -0.126 0.000 2.328 37 V HA 0.484 4.604 4.120 -0.000 0.000 0.278 37 V C 0.046 176.112 176.094 -0.047 0.000 1.021 37 V CA -0.187 62.115 62.300 0.002 0.000 0.838 37 V CB 0.150 31.983 31.823 0.016 0.000 0.999 37 V HN 0.717 nan 8.190 nan 0.000 0.447 38 F N 2.030 121.976 119.950 -0.006 0.000 2.266 38 F HA 0.496 5.023 4.527 -0.000 0.000 0.287 38 F C 0.864 176.671 175.800 0.011 0.000 1.255 38 F CA -0.560 57.442 58.000 0.003 0.000 1.201 38 F CB 0.334 39.335 39.000 0.002 0.000 1.450 38 F HN 0.511 nan 8.300 nan 0.000 0.510 39 E N 0.782 121.128 120.200 0.243 0.000 3.562 39 E HA 0.055 4.405 4.350 -0.000 0.000 0.377 39 E C -1.638 175.031 176.600 0.114 0.000 1.050 39 E CA -0.435 56.046 56.400 0.136 0.000 0.705 39 E CB -0.005 29.750 29.700 0.092 0.000 1.314 39 E HN 0.650 nan 8.360 nan 0.000 0.484 40 N N 1.341 120.097 118.700 0.095 0.000 2.263 40 N HA 0.710 5.450 4.740 -0.000 0.000 0.239 40 N C -0.667 174.877 175.510 0.057 0.000 1.317 40 N CA 1.125 54.220 53.050 0.074 0.000 0.909 40 N CB 1.005 39.524 38.487 0.053 0.000 1.171 40 N HN 0.631 nan 8.380 nan 0.000 0.492 41 A N -0.492 122.356 122.820 0.046 0.000 2.590 41 A HA 0.490 4.810 4.320 -0.000 0.000 0.294 41 A C -1.979 175.619 177.584 0.023 0.000 1.046 41 A CA -0.661 51.397 52.037 0.036 0.000 0.684 41 A CB 0.349 19.374 19.000 0.041 0.000 1.279 41 A HN 0.357 nan 8.150 nan 0.000 0.415 42 L N 2.129 123.359 121.223 0.013 0.000 2.289 42 L HA 0.678 5.018 4.340 -0.000 0.000 0.285 42 L C -0.034 176.824 176.870 -0.020 0.000 1.049 42 L CA -0.125 54.713 54.840 -0.004 0.000 0.804 42 L CB 1.297 43.352 42.059 -0.006 0.000 1.195 42 L HN 0.664 nan 8.230 nan 0.000 0.428 43 I N 1.459 122.005 120.570 -0.041 0.000 2.865 43 I HA 0.691 4.861 4.170 -0.000 0.000 0.302 43 I C 0.501 176.545 176.117 -0.121 0.000 1.140 43 I CA 0.076 61.340 61.300 -0.060 0.000 1.021 43 I CB 1.663 39.642 38.000 -0.033 0.000 1.233 43 I HN 0.667 nan 8.210 nan 0.000 0.427 44 G N 4.185 112.891 108.800 -0.156 0.000 2.645 44 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.246 44 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.246 44 G C 0.856 175.485 174.900 -0.452 0.000 1.322 44 G CA 0.222 45.159 45.100 -0.271 0.000 0.898 44 G HN 1.270 nan 8.290 nan 0.000 0.573 45 G N -0.317 107.964 108.800 -0.866 0.000 2.597 45 G HA2 0.041 4.001 3.960 -0.000 0.000 0.222 45 G HA3 0.041 4.001 3.960 -0.000 0.000 0.222 45 G C 2.212 176.689 174.900 -0.705 0.000 1.135 45 G CA 3.491 47.595 45.100 -1.660 0.000 0.759 45 G HN 2.137 nan 8.290 nan 0.000 0.595 46 A N 0.796 123.398 122.820 -0.364 0.000 1.940 46 A HA 0.252 4.572 4.320 -0.000 0.000 0.219 46 A C 2.812 180.370 177.584 -0.044 0.000 1.176 46 A CA 2.428 54.424 52.037 -0.069 0.000 0.631 46 A CB -0.666 18.312 19.000 -0.037 0.000 0.814 46 A HN 0.973 nan 8.150 nan 0.000 0.446 47 A N -0.315 122.445 122.820 -0.101 0.000 1.930 47 A HA 0.047 4.367 4.320 -0.000 0.000 0.215 47 A C 2.069 179.630 177.584 -0.038 0.000 1.176 47 A CA 1.163 53.168 52.037 -0.054 0.000 0.632 47 A CB -0.522 18.440 19.000 -0.063 0.000 0.819 47 A HN 0.457 nan 8.150 nan 0.000 0.445 48 I N 0.099 120.615 120.570 -0.091 0.000 2.248 48 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 48 I C 1.858 178.026 176.117 0.085 0.000 1.107 48 I CA 1.706 62.991 61.300 -0.025 0.000 1.373 48 I CB -0.366 37.574 38.000 -0.100 0.000 1.055 48 I HN 0.291 nan 8.210 nan 0.000 0.418 49 D N 0.567 121.042 120.400 0.126 0.000 2.084 49 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 49 D C 1.716 178.074 176.300 0.097 0.000 0.985 49 D CA 1.300 55.401 54.000 0.169 0.000 0.826 49 D CB -0.092 40.841 40.800 0.222 0.000 0.978 49 D HN 0.334 nan 8.370 nan 0.000 0.456 50 E N -1.074 119.166 120.200 0.066 0.000 2.465 50 E HA 0.397 4.747 4.350 -0.000 0.000 0.195 50 E C 0.378 176.999 176.600 0.035 0.000 1.028 50 E CA -0.097 56.332 56.400 0.048 0.000 0.899 50 E CB 0.846 30.572 29.700 0.042 0.000 1.032 50 E HN 0.162 nan 8.360 nan 0.000 0.468 51 A N -0.861 121.978 122.820 0.032 0.000 2.732 51 A HA 0.420 4.740 4.320 -0.000 0.000 0.201 51 A C 1.448 179.046 177.584 0.024 0.000 1.390 51 A CA 0.327 52.377 52.037 0.023 0.000 1.064 51 A CB 0.271 19.279 19.000 0.013 0.000 1.348 51 A HN 0.237 nan 8.150 nan 0.000 0.565 52 G N -0.802 108.018 108.800 0.034 0.000 2.212 52 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.266 52 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.266 52 G C 0.441 175.355 174.900 0.023 0.000 0.978 52 G CA 1.173 46.295 45.100 0.037 0.000 0.632 52 G HN 1.591 nan 8.290 nan 0.000 0.537 53 T N 0.558 115.115 114.554 0.006 0.000 2.921 53 T HA 0.645 4.995 4.350 -0.000 0.000 0.297 53 T C -1.248 173.430 174.700 -0.037 0.000 1.013 53 T CA -0.884 61.211 62.100 -0.009 0.000 0.990 53 T CB 2.366 71.232 68.868 -0.004 0.000 1.023 53 T HN -0.080 nan 8.240 nan 0.000 0.447 54 P HA 0.017 nan 4.420 nan 0.000 0.222 54 P C 0.473 177.732 177.300 -0.068 0.000 1.147 54 P CA 0.405 63.445 63.100 -0.101 0.000 0.790 54 P CB 0.296 31.927 31.700 -0.115 0.000 0.780 55 L N 1.872 123.072 121.223 -0.039 0.000 2.679 55 L HA 0.482 4.822 4.340 -0.000 0.000 0.238 55 L C -2.553 174.311 176.870 -0.010 0.000 1.330 55 L CA -2.955 51.872 54.840 -0.022 0.000 0.935 55 L CB 0.431 42.481 42.059 -0.014 0.000 1.243 55 L HN -0.230 nan 8.230 nan 0.000 0.484 56 P HA -0.019 nan 4.420 nan 0.000 0.265 56 P C 0.178 177.481 177.300 0.005 0.000 1.187 56 P CA 0.261 63.360 63.100 -0.001 0.000 0.766 56 P CB 0.889 32.589 31.700 0.000 0.000 0.820 57 E N 1.937 122.141 120.200 0.007 0.000 2.130 57 E HA -0.241 4.108 4.350 -0.000 0.000 0.196 57 E C 1.744 178.352 176.600 0.012 0.000 0.998 57 E CA 1.741 58.146 56.400 0.009 0.000 0.806 57 E CB -0.380 29.325 29.700 0.008 0.000 0.738 57 E HN 0.639 nan 8.360 nan 0.000 0.459 58 E N 0.314 120.522 120.200 0.014 0.000 2.371 58 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 58 E C 1.441 178.055 176.600 0.024 0.000 1.012 58 E CA 0.954 57.365 56.400 0.019 0.000 0.860 58 E CB -0.299 29.413 29.700 0.019 0.000 0.811 58 E HN 0.132 nan 8.360 nan 0.000 0.502 59 T N 2.314 116.881 114.554 0.022 0.000 2.821 59 T HA -0.021 4.329 4.350 -0.000 0.000 0.267 59 T C 2.035 176.757 174.700 0.038 0.000 1.046 59 T CA 1.065 63.183 62.100 0.029 0.000 1.139 59 T CB -0.197 68.683 68.868 0.021 0.000 0.871 59 T HN 0.131 nan 8.240 nan 0.000 0.454 60 L N 0.824 122.065 121.223 0.029 0.000 2.083 60 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 60 L C 2.279 179.170 176.870 0.035 0.000 1.083 60 L CA 1.377 56.235 54.840 0.030 0.000 0.752 60 L CB -0.780 41.287 42.059 0.014 0.000 0.899 60 L HN 0.208 nan 8.230 nan 0.000 0.433 61 D N 0.657 121.076 120.400 0.030 0.000 2.084 61 D HA -0.178 4.462 4.640 -0.000 0.000 0.194 61 D C 2.238 178.567 176.300 0.049 0.000 0.990 61 D CA 1.262 55.282 54.000 0.033 0.000 0.826 61 D CB -0.196 40.620 40.800 0.027 0.000 0.971 61 D HN 0.244 nan 8.370 nan 0.000 0.453 62 I N 0.500 121.101 120.570 0.053 0.000 2.399 62 I HA -0.313 3.857 4.170 -0.000 0.000 0.254 62 I C 1.797 177.969 176.117 0.092 0.000 1.146 62 I CA 0.618 61.957 61.300 0.064 0.000 1.412 62 I CB -0.200 37.835 38.000 0.059 0.000 1.076 62 I HN 0.215 nan 8.210 nan 0.000 0.432 63 C N 0.195 119.559 119.300 0.106 0.000 2.631 63 C HA -0.019 4.441 4.460 -0.000 0.000 0.283 63 C C 2.818 177.932 174.990 0.208 0.000 1.295 63 C CA 0.138 59.263 59.018 0.178 0.000 1.697 63 C CB -1.032 26.813 27.740 0.175 0.000 2.128 63 C HN 0.410 nan 8.230 nan 0.000 0.503 64 R N 1.007 121.564 120.500 0.096 0.000 2.113 64 R HA -0.214 4.126 4.340 -0.000 0.000 0.244 64 R C 2.289 178.642 176.300 0.088 0.000 1.142 64 R CA 1.783 57.904 56.100 0.035 0.000 0.953 64 R CB -0.504 29.791 30.300 -0.008 0.000 0.860 64 R HN 0.533 nan 8.270 nan 0.000 0.438 65 R N 0.731 121.282 120.500 0.086 0.000 2.357 65 R HA 0.005 4.345 4.340 -0.000 0.000 0.202 65 R C 0.122 176.485 176.300 0.105 0.000 1.047 65 R CA 0.506 56.654 56.100 0.080 0.000 1.034 65 R CB 0.171 30.506 30.300 0.059 0.000 0.875 65 R HN 0.012 nan 8.270 nan 0.000 0.473 66 S N -1.188 114.606 115.700 0.157 0.000 2.689 66 S HA 0.225 4.695 4.470 -0.000 0.000 0.306 66 S C -0.192 174.539 174.600 0.220 0.000 1.104 66 S CA -1.076 57.214 58.200 0.149 0.000 0.973 66 S CB 1.668 64.932 63.200 0.106 0.000 1.121 66 S HN 0.170 nan 8.310 nan 0.000 0.523 67 D N 1.558 122.054 120.400 0.159 0.000 2.107 67 D HA 0.254 4.894 4.640 -0.000 0.000 0.204 67 D C 0.567 176.770 176.300 -0.162 0.000 0.978 67 D CA 1.170 55.268 54.000 0.163 0.000 0.852 67 D CB -0.307 40.707 40.800 0.357 0.000 1.008 67 D HN 0.564 nan 8.370 nan 0.000 0.458 68 A N -0.225 122.497 122.820 -0.163 0.000 2.413 68 A HA 0.685 5.005 4.320 -0.000 0.000 0.307 68 A C -0.831 176.613 177.584 -0.234 0.000 1.087 68 A CA -0.584 51.218 52.037 -0.391 0.000 0.750 68 A CB 1.406 20.310 19.000 -0.160 0.000 1.296 68 A HN 0.075 nan 8.150 nan 0.000 0.423 69 I N 1.303 121.730 120.570 -0.239 0.000 2.404 69 I HA 0.332 4.502 4.170 -0.000 0.000 0.293 69 I C -0.943 175.208 176.117 0.057 0.000 0.992 69 I CA -0.348 60.923 61.300 -0.047 0.000 1.149 69 I CB 1.619 39.617 38.000 -0.003 0.000 1.315 69 I HN 0.445 nan 8.210 nan 0.000 0.446 70 L N 6.967 128.234 121.223 0.074 0.000 2.276 70 L HA 0.462 4.802 4.340 -0.000 0.000 0.286 70 L C -0.718 176.200 176.870 0.081 0.000 1.024 70 L CA -0.546 54.355 54.840 0.102 0.000 0.826 70 L CB 1.510 43.629 42.059 0.100 0.000 1.211 70 L HN 0.403 nan 8.230 nan 0.000 0.422 71 L N 1.999 123.264 121.223 0.070 0.000 2.331 71 L HA 0.705 5.045 4.340 -0.000 0.000 0.275 71 L C 0.667 177.558 176.870 0.035 0.000 1.022 71 L CA 0.212 55.077 54.840 0.043 0.000 0.812 71 L CB 1.909 43.981 42.059 0.022 0.000 1.257 71 L HN 0.518 nan 8.230 nan 0.000 0.435 72 G N 1.763 110.581 108.800 0.030 0.000 2.571 72 G HA2 0.658 4.618 3.960 -0.000 0.000 0.225 72 G HA3 0.658 4.618 3.960 -0.000 0.000 0.225 72 G C -0.534 174.377 174.900 0.019 0.000 1.731 72 G CA 0.525 45.647 45.100 0.037 0.000 0.858 72 G HN 0.971 nan 8.290 nan 0.000 0.611 73 A N -1.671 121.164 122.820 0.025 0.000 2.567 73 A HA 0.610 4.930 4.320 -0.000 0.000 0.291 73 A C -1.285 176.299 177.584 -0.001 0.000 1.048 73 A CA 0.110 52.158 52.037 0.018 0.000 0.661 73 A CB 0.917 19.955 19.000 0.064 0.000 1.288 73 A HN 1.675 nan 8.150 nan 0.000 0.424 74 V N -1.578 118.325 119.914 -0.019 0.000 2.962 74 V HA 1.062 5.181 4.120 -0.000 0.000 0.313 74 V C 0.263 176.332 176.094 -0.041 0.000 1.099 74 V CA 0.027 62.287 62.300 -0.067 0.000 0.971 74 V CB 0.997 32.756 31.823 -0.108 0.000 1.028 74 V HN 2.872 nan 8.190 nan 0.000 0.430 75 G N -0.065 108.695 108.800 -0.066 0.000 0.000 75 G HA2 0.670 4.630 3.960 -0.000 0.000 0.000 75 G HA3 0.670 4.630 3.960 -0.000 0.000 0.000 75 G C -0.261 174.764 174.900 0.207 0.000 0.000 75 G CA -0.010 45.113 45.100 0.039 0.000 0.000 75 G HN 2.787 nan 8.290 nan 0.000 0.000 76 G N -1.221 107.747 108.800 0.281 0.000 2.306 76 G HA2 0.552 4.512 3.960 -0.000 0.000 0.340 76 G HA3 0.552 4.512 3.960 -0.000 0.000 0.340 76 G C -1.981 173.048 174.900 0.214 0.000 1.630 76 G CA 0.446 45.762 45.100 0.361 0.000 0.937 76 G HN 0.657 nan 8.290 nan 0.000 0.693 77 P HA -0.104 nan 4.420 nan 0.000 0.218 77 P C 1.885 179.082 177.300 -0.172 0.000 1.148 77 P CA 1.429 64.492 63.100 -0.061 0.000 0.822 77 P CB 0.252 31.934 31.700 -0.029 0.000 0.784 78 K N -0.134 120.080 120.400 -0.311 0.000 1.974 78 K HA -0.186 4.134 4.320 -0.000 0.000 0.229 78 K C 1.706 178.056 176.600 -0.416 0.000 1.038 78 K CA 2.100 58.037 56.287 -0.583 0.000 1.034 78 K CB -0.802 30.841 32.500 -1.427 0.000 0.742 78 K HN 0.091 nan 8.250 nan 0.000 0.446 79 W N 1.395 122.683 121.300 -0.019 0.000 2.662 79 W HA -0.132 4.528 4.660 -0.000 0.000 0.249 79 W C 0.897 177.350 176.519 -0.109 0.000 1.251 79 W CA 0.374 57.703 57.345 -0.027 0.000 1.277 79 W CB -0.744 28.707 29.460 -0.016 0.000 1.140 79 W HN 0.433 nan 8.180 nan 0.000 0.645 80 D N -0.845 119.510 120.400 -0.076 0.000 2.411 80 D HA -0.133 4.507 4.640 -0.000 0.000 0.226 80 D C 1.670 177.703 176.300 -0.446 0.000 0.988 80 D CA 1.080 54.915 54.000 -0.275 0.000 0.938 80 D CB -0.069 40.483 40.800 -0.414 0.000 0.883 80 D HN 0.222 nan 8.370 nan 0.000 0.525 81 H N -1.727 117.380 119.070 0.060 0.000 3.017 81 H HA 0.193 4.749 4.556 -0.000 0.000 0.255 81 H C 0.523 175.880 175.328 0.048 0.000 0.990 81 H CA -0.222 55.847 56.048 0.035 0.000 1.205 81 H CB -0.022 29.741 29.762 0.003 0.000 1.460 81 H HN 0.007 nan 8.280 nan 0.000 0.478 82 N N 4.166 122.963 118.700 0.162 0.000 2.265 82 N HA -0.018 4.722 4.740 -0.000 0.000 0.231 82 N C -2.289 173.277 175.510 0.094 0.000 1.266 82 N CA -0.405 52.726 53.050 0.134 0.000 0.862 82 N CB 0.047 38.635 38.487 0.168 0.000 1.100 82 N HN 0.170 nan 8.380 nan 0.000 0.439 83 P HA 0.092 nan 4.420 nan 0.000 0.279 83 P C 0.125 177.448 177.300 0.038 0.000 1.318 83 P CA -0.074 63.056 63.100 0.049 0.000 0.819 83 P CB 0.734 32.459 31.700 0.041 0.000 0.927 84 A N 5.516 128.354 122.820 0.029 0.000 1.616 84 A HA -0.411 3.909 4.320 -0.000 0.000 0.338 84 A C 2.362 179.953 177.584 0.013 0.000 4.110 84 A CA 3.969 56.015 52.037 0.015 0.000 0.983 84 A CB -2.510 16.492 19.000 0.005 0.000 0.701 84 A HN 0.652 nan 8.150 nan 0.000 0.513 85 S N -0.718 114.989 115.700 0.012 0.000 2.414 85 S HA -0.172 4.298 4.470 -0.000 0.000 0.241 85 S C 0.937 175.543 174.600 0.011 0.000 1.079 85 S CA 1.792 59.998 58.200 0.009 0.000 1.087 85 S CB -0.559 62.648 63.200 0.012 0.000 0.927 85 S HN 1.245 nan 8.310 nan 0.000 0.456 86 L N 1.757 122.994 121.223 0.024 0.000 2.356 86 L HA 0.561 4.901 4.340 -0.000 0.000 0.264 86 L C -0.400 176.494 176.870 0.040 0.000 1.029 86 L CA -0.496 54.361 54.840 0.028 0.000 0.897 86 L CB 0.457 42.543 42.059 0.045 0.000 1.256 86 L HN 0.234 nan 8.230 nan 0.000 0.444 87 R N 3.053 123.557 120.500 0.007 0.000 2.734 87 R HA 0.396 4.736 4.340 -0.000 0.000 0.271 87 R C -2.366 173.890 176.300 -0.074 0.000 1.021 87 R CA -1.584 54.519 56.100 0.005 0.000 0.893 87 R CB 1.173 31.486 30.300 0.022 0.000 1.244 87 R HN 0.121 nan 8.270 nan 0.000 0.464 88 P HA -0.172 nan 4.420 nan 0.000 0.211 88 P C 0.461 177.696 177.300 -0.107 0.000 1.179 88 P CA 1.394 64.378 63.100 -0.194 0.000 0.910 88 P CB 0.283 31.850 31.700 -0.222 0.000 0.785 89 E N -0.129 120.033 120.200 -0.065 0.000 2.147 89 E HA -0.229 4.121 4.350 -0.000 0.000 0.199 89 E C 2.290 178.869 176.600 -0.036 0.000 1.005 89 E CA 2.322 58.697 56.400 -0.042 0.000 0.810 89 E CB -1.280 28.403 29.700 -0.028 0.000 0.736 89 E HN 0.237 nan 8.360 nan 0.000 0.460 90 K N 0.647 121.026 120.400 -0.035 0.000 2.063 90 K HA -0.060 4.260 4.320 -0.000 0.000 0.208 90 K C 2.427 179.012 176.600 -0.026 0.000 1.048 90 K CA 1.679 57.951 56.287 -0.025 0.000 0.928 90 K CB -1.758 30.730 32.500 -0.021 0.000 0.713 90 K HN 0.319 nan 8.250 nan 0.000 0.442 91 G N 0.377 109.152 108.800 -0.042 0.000 2.450 91 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.220 91 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.220 91 G C 1.637 176.519 174.900 -0.030 0.000 1.130 91 G CA 1.103 46.178 45.100 -0.042 0.000 0.760 91 G HN 0.400 nan 8.290 nan 0.000 0.557 92 L N 0.235 121.439 121.223 -0.032 0.000 2.068 92 L HA 0.299 4.639 4.340 -0.000 0.000 0.204 92 L C 2.657 179.527 176.870 -0.000 0.000 1.076 92 L CA 1.088 55.917 54.840 -0.018 0.000 0.753 92 L CB -0.595 41.450 42.059 -0.024 0.000 0.910 92 L HN 0.164 nan 8.230 nan 0.000 0.439 93 L N -0.591 120.633 121.223 0.001 0.000 2.187 93 L HA -0.146 4.193 4.340 -0.000 0.000 0.213 93 L C 2.343 179.229 176.870 0.027 0.000 1.100 93 L CA 1.048 55.899 54.840 0.019 0.000 0.765 93 L CB -1.196 40.871 42.059 0.012 0.000 0.904 93 L HN 0.482 nan 8.230 nan 0.000 0.437 94 G N 1.262 110.070 108.800 0.014 0.000 2.524 94 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.215 94 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.215 94 G C 1.417 176.329 174.900 0.019 0.000 1.239 94 G CA 0.971 46.081 45.100 0.016 0.000 0.798 94 G HN 0.405 nan 8.290 nan 0.000 0.557 95 L N -0.258 120.974 121.223 0.016 0.000 2.349 95 L HA 0.136 4.476 4.340 -0.000 0.000 0.220 95 L C 2.382 179.270 176.870 0.030 0.000 1.130 95 L CA 2.008 56.861 54.840 0.022 0.000 0.791 95 L CB -0.672 41.405 42.059 0.030 0.000 0.918 95 L HN 0.205 nan 8.230 nan 0.000 0.444 96 R N 1.108 121.628 120.500 0.032 0.000 2.066 96 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 96 R C 2.254 178.577 176.300 0.038 0.000 1.131 96 R CA 1.795 57.918 56.100 0.038 0.000 0.955 96 R CB -0.090 30.237 30.300 0.045 0.000 0.851 96 R HN 0.682 nan 8.270 nan 0.000 0.432 97 K N -0.722 119.705 120.400 0.045 0.000 2.305 97 K HA -0.006 4.314 4.320 -0.000 0.000 0.199 97 K C 1.501 178.108 176.600 0.011 0.000 1.047 97 K CA 0.555 56.868 56.287 0.043 0.000 0.976 97 K CB 0.136 32.677 32.500 0.069 0.000 0.765 97 K HN 0.022 nan 8.250 nan 0.000 0.474 98 E N 1.121 121.323 120.200 0.003 0.000 2.106 98 E HA -0.030 4.320 4.350 -0.000 0.000 0.192 98 E C 1.827 178.392 176.600 -0.058 0.000 0.984 98 E CA 1.043 57.432 56.400 -0.020 0.000 0.806 98 E CB -0.024 29.669 29.700 -0.012 0.000 0.750 98 E HN 0.284 nan 8.360 nan 0.000 0.458 99 M N -1.092 118.470 119.600 -0.064 0.000 2.558 99 M HA 0.122 4.602 4.480 -0.000 0.000 0.255 99 M C 1.107 177.325 176.300 -0.138 0.000 1.113 99 M CA 0.810 56.013 55.300 -0.162 0.000 1.097 99 M CB -0.737 31.803 32.600 -0.101 0.000 1.426 99 M HN 0.171 nan 8.290 nan 0.000 0.488 100 G N 1.869 110.638 108.800 -0.051 0.000 2.221 100 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.265 100 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.265 100 G C -0.024 174.892 174.900 0.026 0.000 1.041 100 G CA -0.123 44.974 45.100 -0.005 0.000 0.807 100 G HN 0.455 nan 8.290 nan 0.000 0.502 101 L N 0.122 121.341 121.223 -0.005 0.000 2.361 101 L HA 0.451 4.791 4.340 -0.000 0.000 0.278 101 L C 1.649 178.507 176.870 -0.021 0.000 1.113 101 L CA -0.498 54.300 54.840 -0.070 0.000 0.849 101 L CB 0.168 42.196 42.059 -0.052 0.000 1.155 101 L HN 0.333 nan 8.230 nan 0.000 0.452 102 F N 1.022 120.954 119.950 -0.030 0.000 2.724 102 F HA 0.600 5.127 4.527 -0.000 0.000 0.306 102 F C 0.607 176.397 175.800 -0.017 0.000 1.100 102 F CA -0.740 57.241 58.000 -0.031 0.000 1.255 102 F CB 0.079 39.051 39.000 -0.047 0.000 1.072 102 F HN 0.266 nan 8.300 nan 0.000 0.589 103 A N 1.283 123.909 122.820 -0.323 0.000 2.355 103 A HA 0.630 4.949 4.320 -0.000 0.000 0.317 103 A C -1.397 176.093 177.584 -0.157 0.000 1.094 103 A CA -0.633 51.315 52.037 -0.148 0.000 0.764 103 A CB 0.686 19.532 19.000 -0.257 0.000 1.230 103 A HN 0.319 nan 8.150 nan 0.000 0.448 104 N N 1.869 120.528 118.700 -0.069 0.000 2.407 104 N HA 0.552 5.292 4.740 -0.000 0.000 0.277 104 N C -1.161 174.306 175.510 -0.072 0.000 0.995 104 N CA -0.388 52.616 53.050 -0.077 0.000 0.903 104 N CB 0.747 39.218 38.487 -0.026 0.000 1.218 104 N HN 0.557 nan 8.380 nan 0.000 0.487 105 L N 2.453 123.616 121.223 -0.099 0.000 2.307 105 L HA 0.551 4.891 4.340 -0.000 0.000 0.282 105 L C 0.186 177.051 176.870 -0.010 0.000 1.051 105 L CA -0.838 53.958 54.840 -0.073 0.000 0.804 105 L CB 1.290 43.268 42.059 -0.134 0.000 1.197 105 L HN 0.426 nan 8.230 nan 0.000 0.431 106 R N 3.377 123.879 120.500 0.003 0.000 2.407 106 R HA 0.382 4.722 4.340 -0.000 0.000 0.298 106 R C -2.679 173.643 176.300 0.036 0.000 1.166 106 R CA -1.782 54.331 56.100 0.021 0.000 1.006 106 R CB 1.237 31.540 30.300 0.005 0.000 1.145 106 R HN 0.208 nan 8.270 nan 0.000 0.538 107 P HA 0.158 nan 4.420 nan 0.000 0.286 107 P C -0.907 176.424 177.300 0.051 0.000 1.321 107 P CA -0.322 62.821 63.100 0.071 0.000 0.790 107 P CB 1.308 33.074 31.700 0.109 0.000 0.897 108 V N 5.223 125.156 119.914 0.031 0.000 2.257 108 V HA 0.300 4.420 4.120 -0.000 0.000 0.269 108 V C 0.312 176.403 176.094 -0.004 0.000 1.040 108 V CA -0.378 61.936 62.300 0.024 0.000 0.813 108 V CB 0.570 32.406 31.823 0.022 0.000 1.065 108 V HN 0.380 nan 8.190 nan 0.000 0.457 109 K N 3.750 124.123 120.400 -0.045 0.000 2.207 109 K HA 0.843 5.163 4.320 -0.000 0.000 0.255 109 K C -0.052 176.412 176.600 -0.227 0.000 0.941 109 K CA -0.438 55.768 56.287 -0.135 0.000 0.825 109 K CB 1.937 34.320 32.500 -0.194 0.000 1.119 109 K HN 0.619 nan 8.250 nan 0.000 0.430 110 A N 2.964 125.664 122.820 -0.199 0.000 2.322 110 A HA 0.409 4.729 4.320 -0.000 0.000 0.269 110 A C -1.388 176.001 177.584 -0.325 0.000 1.094 110 A CA -0.237 51.703 52.037 -0.162 0.000 0.807 110 A CB 0.123 19.090 19.000 -0.055 0.000 1.047 110 A HN 0.671 nan 8.150 nan 0.000 0.487 111 Y N 0.434 120.749 120.300 0.025 0.000 2.376 111 Y HA 0.468 5.018 4.550 -0.000 0.000 0.340 111 Y C 1.252 177.163 175.900 0.019 0.000 0.965 111 Y CA 0.059 58.173 58.100 0.023 0.000 1.078 111 Y CB 1.986 40.461 38.460 0.025 0.000 1.193 111 Y HN 0.805 nan 8.280 nan 0.000 0.452 112 A N 1.315 124.235 122.820 0.168 0.000 1.917 112 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 112 A C 1.995 179.632 177.584 0.088 0.000 1.182 112 A CA 2.511 54.607 52.037 0.099 0.000 0.633 112 A CB -1.079 17.967 19.000 0.077 0.000 0.819 112 A HN 0.823 nan 8.150 nan 0.000 0.448 113 T N -3.021 111.593 114.554 0.100 0.000 3.194 113 T HA 0.395 4.745 4.350 -0.000 0.000 0.251 113 T C 1.032 175.765 174.700 0.055 0.000 1.132 113 T CA 0.777 62.911 62.100 0.058 0.000 1.028 113 T CB -0.161 68.726 68.868 0.033 0.000 0.976 113 T HN 0.318 nan 8.240 nan 0.000 0.535 114 L N -0.631 120.644 121.223 0.087 0.000 2.840 114 L HA 0.404 4.744 4.340 -0.000 0.000 0.249 114 L C 2.042 178.954 176.870 0.070 0.000 1.119 114 L CA -0.090 54.796 54.840 0.078 0.000 0.930 114 L CB -0.038 42.087 42.059 0.110 0.000 1.295 114 L HN 0.164 nan 8.230 nan 0.000 0.534 115 L N 1.559 122.824 121.223 0.069 0.000 2.151 115 L HA -0.273 4.067 4.340 -0.000 0.000 0.215 115 L C 2.168 179.061 176.870 0.038 0.000 1.084 115 L CA 1.659 56.529 54.840 0.051 0.000 0.764 115 L CB -0.839 41.245 42.059 0.042 0.000 0.891 115 L HN 0.600 nan 8.230 nan 0.000 0.435 116 N N 0.811 119.531 118.700 0.033 0.000 2.573 116 N HA -0.115 4.625 4.740 -0.000 0.000 0.187 116 N C 1.450 176.975 175.510 0.025 0.000 1.107 116 N CA 1.190 54.255 53.050 0.025 0.000 0.918 116 N CB -0.064 38.435 38.487 0.019 0.000 0.966 116 N HN 0.339 nan 8.380 nan 0.000 0.448 117 A N -0.076 122.764 122.820 0.032 0.000 2.195 117 A HA 0.125 4.445 4.320 -0.000 0.000 0.210 117 A C 1.179 178.783 177.584 0.034 0.000 1.165 117 A CA -0.177 51.879 52.037 0.032 0.000 0.806 117 A CB -0.069 18.953 19.000 0.037 0.000 0.847 117 A HN 0.303 nan 8.150 nan 0.000 0.482 118 S N -0.025 115.696 115.700 0.035 0.000 2.584 118 S HA 0.395 4.865 4.470 -0.000 0.000 0.273 118 S C -1.713 172.903 174.600 0.027 0.000 1.311 118 S CA -1.106 57.114 58.200 0.034 0.000 1.034 118 S CB 0.894 64.116 63.200 0.035 0.000 0.939 118 S HN 0.136 nan 8.310 nan 0.000 0.513 119 P HA 0.223 nan 4.420 nan 0.000 0.240 119 P C -0.524 176.787 177.300 0.019 0.000 1.190 119 P CA 0.421 63.533 63.100 0.021 0.000 0.781 119 P CB 0.108 31.820 31.700 0.021 0.000 0.931 120 L N -0.266 120.970 121.223 0.021 0.000 2.379 120 L HA 0.284 4.624 4.340 -0.000 0.000 0.269 120 L C 0.727 177.608 176.870 0.017 0.000 1.084 120 L CA -1.057 53.795 54.840 0.019 0.000 0.802 120 L CB 0.746 42.819 42.059 0.022 0.000 1.175 120 L HN -0.228 nan 8.230 nan 0.000 0.448 121 K N 1.132 121.541 120.400 0.014 0.000 2.436 121 K HA 0.022 4.342 4.320 -0.000 0.000 0.275 121 K C 1.014 177.621 176.600 0.013 0.000 0.999 121 K CA -0.104 56.190 56.287 0.012 0.000 0.980 121 K CB 0.740 33.245 32.500 0.009 0.000 0.919 121 K HN 0.478 nan 8.250 nan 0.000 0.484 122 R N 2.382 122.889 120.500 0.012 0.000 2.153 122 R HA -0.235 4.105 4.340 -0.000 0.000 0.252 122 R C 1.577 177.883 176.300 0.010 0.000 1.158 122 R CA 2.199 58.306 56.100 0.013 0.000 0.975 122 R CB 0.045 30.352 30.300 0.012 0.000 0.871 122 R HN 0.726 nan 8.270 nan 0.000 0.450 123 E N -0.160 120.044 120.200 0.007 0.000 2.358 123 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 123 E C 1.238 177.840 176.600 0.002 0.000 1.010 123 E CA 0.632 57.034 56.400 0.003 0.000 0.856 123 E CB 0.019 29.719 29.700 0.001 0.000 0.795 123 E HN 0.404 nan 8.360 nan 0.000 0.504 124 R N 0.435 120.938 120.500 0.006 0.000 2.225 124 R HA 0.164 4.504 4.340 -0.000 0.000 0.194 124 R C 2.133 178.441 176.300 0.014 0.000 0.957 124 R CA 0.576 56.681 56.100 0.008 0.000 1.042 124 R CB 0.037 30.344 30.300 0.011 0.000 1.004 124 R HN 0.109 nan 8.270 nan 0.000 0.509 125 V N 1.378 121.302 119.914 0.016 0.000 3.263 125 V HA 0.050 4.170 4.120 -0.000 0.000 0.248 125 V C 0.948 177.049 176.094 0.012 0.000 1.145 125 V CA 0.123 62.435 62.300 0.020 0.000 1.107 125 V CB 0.221 32.059 31.823 0.025 0.000 0.797 125 V HN 0.213 nan 8.190 nan 0.000 0.467 126 E N 2.153 122.359 120.200 0.009 0.000 2.459 126 E HA -0.127 4.223 4.350 -0.000 0.000 0.264 126 E C 0.191 176.788 176.600 -0.005 0.000 1.055 126 E CA 0.450 56.852 56.400 0.004 0.000 0.957 126 E CB 0.104 29.807 29.700 0.005 0.000 0.952 126 E HN 0.765 nan 8.360 nan 0.000 0.448 127 N N 1.104 119.795 118.700 -0.015 0.000 2.696 127 N HA -0.201 4.539 4.740 -0.000 0.000 0.271 127 N C -1.292 174.207 175.510 -0.019 0.000 0.997 127 N CA 0.434 53.470 53.050 -0.023 0.000 0.801 127 N CB -1.574 36.903 38.487 -0.017 0.000 0.913 127 N HN 0.114 nan 8.380 nan 0.000 0.557 128 V N 0.601 120.501 119.914 -0.022 0.000 2.513 128 V HA 0.431 4.551 4.120 -0.000 0.000 0.299 128 V C -0.034 176.048 176.094 -0.020 0.000 1.035 128 V CA -0.352 61.947 62.300 -0.002 0.000 0.889 128 V CB 1.883 33.714 31.823 0.013 0.000 0.988 128 V HN 0.542 nan 8.190 nan 0.000 0.440 129 D N 3.909 124.312 120.400 0.004 0.000 2.527 129 D HA 0.458 5.098 4.640 -0.000 0.000 0.242 129 D C -1.038 175.280 176.300 0.030 0.000 1.285 129 D CA -0.302 53.695 54.000 -0.005 0.000 0.886 129 D CB 0.664 41.453 40.800 -0.019 0.000 1.402 129 D HN 0.361 nan 8.370 nan 0.000 0.528 130 L N -0.017 121.229 121.223 0.037 0.000 2.277 130 L HA 0.946 5.286 4.340 -0.000 0.000 0.254 130 L C -1.263 175.625 176.870 0.030 0.000 1.044 130 L CA -1.140 53.730 54.840 0.051 0.000 0.842 130 L CB 1.598 43.704 42.059 0.078 0.000 1.422 130 L HN -0.080 nan 8.230 nan 0.000 0.422 131 V N 1.687 121.611 119.914 0.016 0.000 2.567 131 V HA 0.444 4.564 4.120 -0.000 0.000 0.298 131 V C -0.519 175.555 176.094 -0.033 0.000 1.047 131 V CA -0.364 61.941 62.300 0.007 0.000 0.880 131 V CB 1.506 33.346 31.823 0.029 0.000 1.009 131 V HN 0.618 nan 8.190 nan 0.000 0.429 132 I N 4.832 125.377 120.570 -0.042 0.000 2.352 132 I HA 0.295 4.465 4.170 -0.000 0.000 0.290 132 I C 0.014 176.106 176.117 -0.041 0.000 1.036 132 I CA -0.127 61.135 61.300 -0.064 0.000 1.336 132 I CB 1.529 39.494 38.000 -0.059 0.000 1.407 132 I HN 0.296 nan 8.210 nan 0.000 0.497 133 V N 7.871 127.762 119.914 -0.038 0.000 2.313 133 V HA 0.347 4.467 4.120 -0.000 0.000 0.278 133 V C 0.495 176.606 176.094 0.028 0.000 1.017 133 V CA -0.747 61.541 62.300 -0.019 0.000 0.823 133 V CB 1.348 33.153 31.823 -0.029 0.000 1.010 133 V HN 0.686 nan 8.190 nan 0.000 0.443 134 R N 3.635 124.155 120.500 0.033 0.000 2.428 134 R HA 0.369 4.709 4.340 -0.000 0.000 0.294 134 R C -0.133 176.238 176.300 0.119 0.000 1.000 134 R CA -0.568 55.572 56.100 0.068 0.000 0.960 134 R CB 1.210 31.538 30.300 0.047 0.000 1.076 134 R HN 0.645 nan 8.270 nan 0.000 0.475 135 E N 4.477 124.781 120.200 0.173 0.000 2.313 135 E HA 0.049 4.399 4.350 -0.000 0.000 0.276 135 E C 0.042 176.762 176.600 0.199 0.000 1.031 135 E CA 0.044 56.586 56.400 0.237 0.000 0.857 135 E CB 1.200 31.096 29.700 0.327 0.000 1.040 135 E HN 0.707 nan 8.360 nan 0.000 0.408 136 L N 2.526 123.873 121.223 0.207 0.000 2.642 136 L HA 0.025 4.365 4.340 -0.000 0.000 0.233 136 L C 2.035 178.966 176.870 0.102 0.000 1.077 136 L CA 0.781 55.740 54.840 0.197 0.000 0.879 136 L CB 0.188 42.349 42.059 0.169 0.000 1.151 136 L HN 0.551 nan 8.230 nan 0.000 0.495 137 T N -3.170 111.329 114.554 -0.091 0.000 3.039 137 T HA 0.189 4.539 4.350 -0.000 0.000 0.250 137 T C 1.095 175.194 174.700 -1.002 0.000 1.052 137 T CA 0.520 62.267 62.100 -0.589 0.000 1.125 137 T CB 0.053 68.737 68.868 -0.307 0.000 0.908 137 T HN 0.170 nan 8.240 nan 0.000 0.473 138 G N -0.040 108.512 108.800 -0.413 0.000 2.641 138 G HA2 0.607 4.567 3.960 -0.000 0.000 0.239 138 G HA3 0.607 4.567 3.960 -0.000 0.000 0.239 138 G C 0.415 175.031 174.900 -0.472 0.000 1.402 138 G CA -0.299 44.426 45.100 -0.625 0.000 1.046 138 G HN 1.148 nan 8.290 nan 0.000 0.565 139 G N -1.987 106.168 108.800 -1.074 0.000 2.526 139 G HA2 0.070 4.030 3.960 -0.000 0.000 0.250 139 G HA3 0.070 4.030 3.960 -0.000 0.000 0.250 139 G C 0.387 175.178 174.900 -0.182 0.000 1.289 139 G CA 0.140 44.974 45.100 -0.443 0.000 0.947 139 G HN 1.374 nan 8.290 nan 0.000 0.517 140 L N -0.201 120.943 121.223 -0.131 0.000 2.492 140 L HA 0.329 4.669 4.340 -0.000 0.000 0.223 140 L C 2.345 179.322 176.870 0.178 0.000 1.132 140 L CA 1.378 56.218 54.840 0.001 0.000 0.850 140 L CB -0.418 41.640 42.059 -0.002 0.000 0.966 140 L HN 0.596 nan 8.230 nan 0.000 0.454 141 Y N -1.447 118.803 120.300 -0.082 0.000 2.243 141 Y HA -0.007 4.543 4.550 -0.000 0.000 0.293 141 Y C 2.017 177.698 175.900 -0.365 0.000 1.124 141 Y CA 0.747 58.676 58.100 -0.285 0.000 1.159 141 Y CB -0.881 37.279 38.460 -0.501 0.000 1.008 141 Y HN 0.145 nan 8.280 nan 0.000 0.527 142 F N -0.570 119.421 119.950 0.068 0.000 2.619 142 F HA 0.322 4.849 4.527 -0.000 0.000 0.293 142 F C 1.851 177.628 175.800 -0.040 0.000 1.119 142 F CA -0.343 57.656 58.000 -0.003 0.000 1.445 142 F CB -0.962 38.017 39.000 -0.034 0.000 1.119 142 F HN -0.161 nan 8.300 nan 0.000 0.573 143 G N 2.275 111.153 108.800 0.130 0.000 2.265 143 G HA2 0.235 4.195 3.960 -0.000 0.000 0.240 143 G HA3 0.235 4.195 3.960 -0.000 0.000 0.240 143 G C 0.092 175.009 174.900 0.027 0.000 1.270 143 G CA -0.404 44.718 45.100 0.036 0.000 0.901 143 G HN 0.113 nan 8.290 nan 0.000 0.507 144 R N 2.737 123.247 120.500 0.018 0.000 2.732 144 R HA 0.420 4.760 4.340 -0.000 0.000 0.278 144 R C -2.171 174.132 176.300 0.004 0.000 0.976 144 R CA -1.521 54.585 56.100 0.011 0.000 0.963 144 R CB 2.014 32.322 30.300 0.012 0.000 1.150 144 R HN 0.484 nan 8.270 nan 0.000 0.478 145 P HA 0.084 nan 4.420 nan 0.000 0.274 145 P C -0.716 176.584 177.300 -0.000 0.000 1.231 145 P CA -0.293 62.808 63.100 0.001 0.000 0.790 145 P CB 1.233 32.934 31.700 0.001 0.000 0.951 146 S N 0.515 116.212 115.700 -0.004 0.000 2.293 146 S HA 0.279 4.749 4.470 -0.000 0.000 0.154 146 S C -0.642 173.951 174.600 -0.011 0.000 1.602 146 S CA -0.615 57.579 58.200 -0.009 0.000 1.260 146 S CB -0.304 62.887 63.200 -0.016 0.000 1.270 146 S HN 0.615 nan 8.310 nan 0.000 0.416 147 E N 1.863 122.058 120.200 -0.008 0.000 2.449 147 E HA 0.496 4.846 4.350 -0.000 0.000 0.278 147 E C -1.225 175.371 176.600 -0.006 0.000 0.992 147 E CA -1.338 55.057 56.400 -0.008 0.000 0.807 147 E CB 1.222 30.919 29.700 -0.006 0.000 1.350 147 E HN 0.281 nan 8.360 nan 0.000 0.462 148 R N 0.921 121.417 120.500 -0.007 0.000 2.255 148 R HA 0.322 4.662 4.340 -0.000 0.000 0.326 148 R C 0.448 176.746 176.300 -0.004 0.000 0.986 148 R CA -0.550 55.547 56.100 -0.005 0.000 0.847 148 R CB 1.214 31.511 30.300 -0.006 0.000 1.111 148 R HN 0.468 nan 8.270 nan 0.000 0.452 149 R N 1.397 121.895 120.500 -0.002 0.000 2.075 149 R HA 0.138 4.478 4.340 -0.000 0.000 0.220 149 R C 0.803 177.102 176.300 -0.001 0.000 1.118 149 R CA 1.132 57.231 56.100 -0.001 0.000 0.986 149 R CB -0.152 30.148 30.300 -0.000 0.000 0.884 149 R HN 1.001 nan 8.270 nan 0.000 0.439 150 G N 0.100 108.899 108.800 -0.001 0.000 2.750 150 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.228 150 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.228 150 G C -2.145 172.755 174.900 -0.000 0.000 1.367 150 G CA -0.695 44.404 45.100 -0.001 0.000 0.871 150 G HN 0.185 nan 8.290 nan 0.000 0.560 151 P HA 0.264 nan 4.420 nan 0.000 0.264 151 P C 1.256 178.556 177.300 -0.000 0.000 1.156 151 P CA 2.467 65.567 63.100 -0.000 0.000 0.756 151 P CB -0.093 31.607 31.700 0.000 0.000 0.764 152 G N 2.317 111.116 108.800 -0.001 0.000 2.205 152 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.269 152 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.269 152 G C 0.338 175.237 174.900 -0.001 0.000 0.977 152 G CA 0.653 45.752 45.100 -0.001 0.000 0.652 152 G HN 0.685 nan 8.290 nan 0.000 0.539 153 E N -1.859 118.340 120.200 -0.001 0.000 2.358 153 E HA -0.188 4.162 4.350 -0.000 0.000 0.246 153 E C 0.041 176.640 176.600 -0.002 0.000 1.127 153 E CA 0.557 56.956 56.400 -0.002 0.000 0.726 153 E CB -1.272 28.426 29.700 -0.003 0.000 1.272 153 E HN 0.535 nan 8.360 nan 0.000 0.390 154 N N 1.384 120.083 118.700 -0.001 0.000 2.455 154 N HA 0.146 4.886 4.740 -0.000 0.000 0.258 154 N C -0.718 174.792 175.510 0.000 0.000 1.158 154 N CA 0.333 53.383 53.050 -0.000 0.000 0.893 154 N CB 0.537 39.025 38.487 0.000 0.000 1.173 154 N HN 0.423 nan 8.380 nan 0.000 0.503 155 E N -0.684 119.516 120.200 -0.000 0.000 2.388 155 E HA 0.479 4.829 4.350 -0.000 0.000 0.280 155 E C -2.019 174.581 176.600 -0.001 0.000 1.019 155 E CA -0.666 55.734 56.400 0.000 0.000 0.806 155 E CB 1.739 31.439 29.700 0.001 0.000 1.246 155 E HN -0.106 nan 8.360 nan 0.000 0.443 156 V N 2.753 122.667 119.914 0.000 0.000 3.178 156 V HA 0.829 4.949 4.120 -0.000 0.000 0.302 156 V C -1.744 174.351 176.094 0.001 0.000 1.262 156 V CA -0.148 62.152 62.300 -0.001 0.000 1.030 156 V CB 2.076 33.897 31.823 -0.003 0.000 1.074 156 V HN 0.682 nan 8.190 nan 0.000 0.438 157 V N 0.799 120.713 119.914 0.000 0.000 3.120 157 V HA 0.807 4.927 4.120 -0.000 0.000 0.303 157 V C -1.551 174.544 176.094 0.002 0.000 1.238 157 V CA -0.577 61.724 62.300 0.003 0.000 1.008 157 V CB 2.224 34.049 31.823 0.003 0.000 1.064 157 V HN 0.903 nan 8.190 nan 0.000 0.434 158 D N 1.179 121.583 120.400 0.006 0.000 2.601 158 D HA 0.704 5.344 4.640 -0.000 0.000 0.230 158 D C -1.032 175.273 176.300 0.009 0.000 1.106 158 D CA -0.246 53.759 54.000 0.008 0.000 0.873 158 D CB 2.688 43.496 40.800 0.014 0.000 1.515 158 D HN 0.811 nan 8.370 nan 0.000 0.468 159 T N 0.876 115.435 114.554 0.009 0.000 2.876 159 T HA 0.385 4.735 4.350 -0.000 0.000 0.289 159 T C -0.549 174.146 174.700 -0.008 0.000 1.014 159 T CA -0.591 61.511 62.100 0.003 0.000 0.986 159 T CB 1.636 70.504 68.868 0.000 0.000 1.021 159 T HN 0.136 nan 8.240 nan 0.000 0.458 160 L N 3.373 124.586 121.223 -0.016 0.000 2.335 160 L HA 0.771 5.111 4.340 -0.000 0.000 0.268 160 L C -0.351 176.492 176.870 -0.045 0.000 1.037 160 L CA -0.385 54.429 54.840 -0.044 0.000 0.895 160 L CB -0.312 41.734 42.059 -0.021 0.000 1.266 160 L HN 0.802 nan 8.230 nan 0.000 0.439 161 A N 3.969 126.714 122.820 -0.125 0.000 2.318 161 A HA 0.765 5.085 4.320 -0.000 0.000 0.324 161 A C -1.559 175.871 177.584 -0.258 0.000 1.170 161 A CA -0.316 51.658 52.037 -0.106 0.000 0.810 161 A CB 0.613 19.570 19.000 -0.072 0.000 1.198 161 A HN 0.594 nan 8.150 nan 0.000 0.484 162 Y N -0.177 120.124 120.300 0.001 0.000 2.609 162 Y HA 0.668 5.218 4.550 -0.000 0.000 0.342 162 Y C 0.684 176.570 175.900 -0.022 0.000 1.058 162 Y CA -0.172 57.924 58.100 -0.007 0.000 1.055 162 Y CB 2.612 41.093 38.460 0.035 0.000 1.292 162 Y HN 0.830 nan 8.280 nan 0.000 0.476 163 T N -2.216 112.445 114.554 0.179 0.000 2.916 163 T HA 0.372 4.722 4.350 -0.000 0.000 0.292 163 T C 0.750 175.459 174.700 0.016 0.000 1.055 163 T CA -0.972 61.162 62.100 0.057 0.000 1.009 163 T CB 2.037 70.904 68.868 -0.001 0.000 1.118 163 T HN 0.753 nan 8.240 nan 0.000 0.497 164 R N 0.444 120.932 120.500 -0.019 0.000 2.117 164 R HA -0.150 4.190 4.340 -0.000 0.000 0.243 164 R C 2.045 178.285 176.300 -0.099 0.000 1.143 164 R CA 1.956 58.021 56.100 -0.058 0.000 0.968 164 R CB -0.237 30.035 30.300 -0.048 0.000 0.863 164 R HN 0.868 nan 8.270 nan 0.000 0.444 165 E N 0.384 120.528 120.200 -0.093 0.000 2.072 165 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 165 E C 1.549 178.031 176.600 -0.196 0.000 0.985 165 E CA 1.392 57.713 56.400 -0.131 0.000 0.801 165 E CB 0.086 29.717 29.700 -0.114 0.000 0.750 165 E HN 0.523 nan 8.360 nan 0.000 0.452 166 E N 0.340 120.442 120.200 -0.162 0.000 2.106 166 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 166 E C 2.219 178.667 176.600 -0.255 0.000 0.984 166 E CA 1.034 57.314 56.400 -0.200 0.000 0.806 166 E CB -0.023 29.671 29.700 -0.009 0.000 0.750 166 E HN 0.335 nan 8.360 nan 0.000 0.458 167 I N 1.235 121.647 120.570 -0.264 0.000 2.202 167 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 167 I C 2.162 177.976 176.117 -0.506 0.000 1.091 167 I CA 1.178 62.165 61.300 -0.521 0.000 1.368 167 I CB -0.220 37.495 38.000 -0.475 0.000 1.058 167 I HN 0.073 nan 8.210 nan 0.000 0.410 168 E N 0.777 120.785 120.200 -0.320 0.000 2.204 168 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 168 E C 2.200 178.690 176.600 -0.182 0.000 0.990 168 E CA 0.910 57.173 56.400 -0.228 0.000 0.821 168 E CB -0.028 29.583 29.700 -0.148 0.000 0.750 168 E HN 0.586 nan 8.360 nan 0.000 0.477 169 R N 0.375 120.730 120.500 -0.241 0.000 2.112 169 R HA 0.016 4.356 4.340 -0.000 0.000 0.216 169 R C 2.268 178.545 176.300 -0.039 0.000 1.080 169 R CA 0.500 56.491 56.100 -0.182 0.000 0.996 169 R CB -0.478 29.576 30.300 -0.411 0.000 0.902 169 R HN 0.036 nan 8.270 nan 0.000 0.449 170 I N 1.841 122.341 120.570 -0.116 0.000 2.252 170 I HA -0.097 4.073 4.170 -0.000 0.000 0.245 170 I C 2.003 178.112 176.117 -0.013 0.000 1.102 170 I CA 1.052 62.415 61.300 0.106 0.000 1.385 170 I CB -0.011 38.028 38.000 0.064 0.000 1.064 170 I HN 0.188 nan 8.210 nan 0.000 0.414 171 I N 0.052 120.509 120.570 -0.189 0.000 2.394 171 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 171 I C 2.391 178.507 176.117 -0.002 0.000 1.136 171 I CA 1.320 62.511 61.300 -0.180 0.000 1.425 171 I CB -0.353 37.437 38.000 -0.351 0.000 1.079 171 I HN 0.343 nan 8.210 nan 0.000 0.425 172 E N 1.100 121.330 120.200 0.049 0.000 2.072 172 E HA -0.265 4.085 4.350 -0.000 0.000 0.190 172 E C 2.076 178.728 176.600 0.088 0.000 0.982 172 E CA 0.952 57.442 56.400 0.150 0.000 0.803 172 E CB 0.165 29.953 29.700 0.146 0.000 0.755 172 E HN 0.073 nan 8.360 nan 0.000 0.453 173 K N 0.662 121.108 120.400 0.076 0.000 2.152 173 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 173 K C 1.612 178.187 176.600 -0.041 0.000 1.048 173 K CA 1.291 57.600 56.287 0.036 0.000 0.933 173 K CB -0.340 32.198 32.500 0.063 0.000 0.721 173 K HN 0.190 nan 8.250 nan 0.000 0.447 174 A N -0.302 122.482 122.820 -0.060 0.000 1.855 174 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 174 A C 2.055 179.518 177.584 -0.203 0.000 1.191 174 A CA 1.401 53.353 52.037 -0.142 0.000 0.613 174 A CB -0.892 17.999 19.000 -0.181 0.000 0.829 174 A HN 0.312 nan 8.150 nan 0.000 0.442 175 F N 0.504 120.269 119.950 -0.307 0.000 2.095 175 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 175 F C 2.779 178.268 175.800 -0.518 0.000 1.104 175 F CA 2.081 59.747 58.000 -0.557 0.000 1.232 175 F CB -0.611 37.687 39.000 -1.171 0.000 0.987 175 F HN 0.323 nan 8.300 nan 0.000 0.475 176 Q N -0.545 119.131 119.800 -0.206 0.000 2.135 176 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 176 Q C 2.275 178.267 176.000 -0.014 0.000 0.981 176 Q CA 1.097 56.873 55.803 -0.045 0.000 0.856 176 Q CB -0.377 28.385 28.738 0.039 0.000 0.902 176 Q HN 0.341 nan 8.270 nan 0.000 0.425 177 L N 0.521 121.713 121.223 -0.051 0.000 1.976 177 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 177 L C 2.312 179.182 176.870 -0.000 0.000 1.071 177 L CA 2.110 56.930 54.840 -0.032 0.000 0.746 177 L CB -1.377 40.630 42.059 -0.088 0.000 0.890 177 L HN 0.216 nan 8.230 nan 0.000 0.432 178 A N -0.697 122.102 122.820 -0.035 0.000 1.908 178 A HA -0.332 3.987 4.320 -0.000 0.000 0.218 178 A C 2.124 179.726 177.584 0.030 0.000 1.181 178 A CA 2.011 54.042 52.037 -0.010 0.000 0.627 178 A CB -0.677 18.294 19.000 -0.048 0.000 0.818 178 A HN 0.587 nan 8.150 nan 0.000 0.445 179 Q N 0.468 120.289 119.800 0.036 0.000 2.103 179 Q HA -0.222 4.118 4.340 -0.000 0.000 0.213 179 Q C 1.643 177.687 176.000 0.074 0.000 1.008 179 Q CA 2.657 58.506 55.803 0.077 0.000 0.879 179 Q CB -0.627 28.170 28.738 0.098 0.000 0.946 179 Q HN 0.867 nan 8.270 nan 0.000 0.413 180 I N -2.947 117.665 120.570 0.071 0.000 3.812 180 I HA 0.202 4.372 4.170 -0.000 0.000 0.320 180 I C 0.973 177.130 176.117 0.067 0.000 1.276 180 I CA -0.115 61.228 61.300 0.073 0.000 1.164 180 I CB 0.101 38.152 38.000 0.085 0.000 1.009 180 I HN -0.007 nan 8.210 nan 0.000 0.431 181 R N 1.399 121.935 120.500 0.060 0.000 2.261 181 R HA 0.458 4.798 4.340 -0.000 0.000 0.116 181 R C 0.578 176.903 176.300 0.042 0.000 1.533 181 R CA -0.783 55.348 56.100 0.053 0.000 1.423 181 R CB 0.097 30.429 30.300 0.054 0.000 1.225 181 R HN 0.073 nan 8.270 nan 0.000 0.476 182 R N 1.599 122.121 120.500 0.036 0.000 2.555 182 R HA 0.140 4.480 4.340 -0.000 0.000 0.272 182 R C -0.350 175.970 176.300 0.033 0.000 1.089 182 R CA 0.027 56.146 56.100 0.031 0.000 1.126 182 R CB -0.036 30.279 30.300 0.024 0.000 1.250 182 R HN 0.366 nan 8.270 nan 0.000 0.551 183 K N 1.014 121.439 120.400 0.041 0.000 2.938 183 K HA -0.249 4.070 4.320 -0.000 0.000 0.250 183 K C -0.158 176.471 176.600 0.049 0.000 0.939 183 K CA 1.123 57.441 56.287 0.053 0.000 0.694 183 K CB -0.835 31.704 32.500 0.064 0.000 1.267 183 K HN 0.216 nan 8.250 nan 0.000 0.483 184 K N 1.362 121.779 120.400 0.029 0.000 2.483 184 K HA 0.349 4.669 4.320 -0.000 0.000 0.256 184 K C -1.327 175.270 176.600 -0.005 0.000 0.961 184 K CA -0.813 55.486 56.287 0.020 0.000 0.873 184 K CB 0.880 33.391 32.500 0.018 0.000 1.107 184 K HN 0.068 nan 8.250 nan 0.000 0.432 185 L N 3.331 124.527 121.223 -0.045 0.000 2.334 185 L HA 0.769 5.109 4.340 -0.000 0.000 0.273 185 L C -1.423 175.392 176.870 -0.093 0.000 1.013 185 L CA -0.212 54.549 54.840 -0.132 0.000 0.816 185 L CB 2.010 43.839 42.059 -0.383 0.000 1.278 185 L HN 0.726 nan 8.230 nan 0.000 0.431 186 A N 2.805 125.593 122.820 -0.054 0.000 2.410 186 A HA 0.574 4.894 4.320 -0.000 0.000 0.289 186 A C -0.654 176.934 177.584 0.007 0.000 1.200 186 A CA -0.389 51.654 52.037 0.011 0.000 0.751 186 A CB 0.923 20.016 19.000 0.155 0.000 1.161 186 A HN 0.662 nan 8.150 nan 0.000 0.459 187 S N 2.026 117.748 115.700 0.037 0.000 2.505 187 S HA 0.465 4.935 4.470 -0.000 0.000 0.276 187 S C -0.178 174.501 174.600 0.131 0.000 1.274 187 S CA -0.142 58.156 58.200 0.164 0.000 1.053 187 S CB 0.040 63.441 63.200 0.336 0.000 0.919 187 S HN 0.773 nan 8.310 nan 0.000 0.490 188 V N 6.154 126.081 119.914 0.022 0.000 2.417 188 V HA 0.560 4.679 4.120 -0.000 0.000 0.291 188 V C -0.287 175.656 176.094 -0.252 0.000 1.024 188 V CA -0.624 61.616 62.300 -0.101 0.000 0.861 188 V CB 1.321 33.060 31.823 -0.140 0.000 0.985 188 V HN 1.043 nan 8.190 nan 0.000 0.436 189 D N 3.675 123.943 120.400 -0.220 0.000 2.812 189 D HA 0.543 5.183 4.640 -0.000 0.000 0.318 189 D C -0.621 175.588 176.300 -0.151 0.000 1.234 189 D CA -0.887 52.996 54.000 -0.195 0.000 0.989 189 D CB 1.545 42.196 40.800 -0.249 0.000 1.442 189 D HN 0.218 nan 8.370 nan 0.000 0.537 190 K N -0.776 119.626 120.400 0.004 0.000 3.271 190 K HA 0.643 4.963 4.320 -0.000 0.000 0.192 190 K C 0.278 176.887 176.600 0.016 0.000 1.108 190 K CA -0.046 56.228 56.287 -0.021 0.000 0.902 190 K CB 0.240 32.781 32.500 0.068 0.000 0.889 190 K HN 0.500 nan 8.250 nan 0.000 0.520 191 A N 0.904 123.716 122.820 -0.015 0.000 2.070 191 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 191 A C 1.426 179.006 177.584 -0.007 0.000 1.159 191 A CA 1.706 53.737 52.037 -0.010 0.000 0.656 191 A CB -0.840 18.136 19.000 -0.041 0.000 0.800 191 A HN 0.806 nan 8.150 nan 0.000 0.453 192 N N -1.327 117.365 118.700 -0.012 0.000 2.461 192 N HA 0.052 4.792 4.740 -0.000 0.000 0.188 192 N C 0.780 176.292 175.510 0.003 0.000 1.134 192 N CA 0.904 53.949 53.050 -0.007 0.000 0.878 192 N CB 0.233 38.712 38.487 -0.013 0.000 0.972 192 N HN 0.234 nan 8.380 nan 0.000 0.456 193 V N 0.106 120.028 119.914 0.013 0.000 3.177 193 V HA 0.192 4.312 4.120 -0.000 0.000 0.219 193 V C 0.535 176.648 176.094 0.031 0.000 1.344 193 V CA -0.101 62.212 62.300 0.022 0.000 1.324 193 V CB 0.132 31.971 31.823 0.026 0.000 1.165 193 V HN 0.090 nan 8.190 nan 0.000 0.510 194 L N 1.336 122.585 121.223 0.044 0.000 2.349 194 L HA 0.354 4.694 4.340 -0.000 0.000 0.275 194 L C 1.440 178.338 176.870 0.046 0.000 1.115 194 L CA 0.089 54.959 54.840 0.050 0.000 0.820 194 L CB 0.840 42.939 42.059 0.066 0.000 1.135 194 L HN 0.170 nan 8.230 nan 0.000 0.445 195 E N 1.061 121.289 120.200 0.046 0.000 2.274 195 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 195 E C 1.937 178.576 176.600 0.066 0.000 0.996 195 E CA 1.346 57.774 56.400 0.047 0.000 0.840 195 E CB 0.196 29.921 29.700 0.041 0.000 0.772 195 E HN 0.742 nan 8.360 nan 0.000 0.491 196 S N -1.074 114.673 115.700 0.079 0.000 2.368 196 S HA -0.094 4.376 4.470 -0.000 0.000 0.224 196 S C 2.148 176.818 174.600 0.118 0.000 1.029 196 S CA 1.223 59.492 58.200 0.114 0.000 0.988 196 S CB -0.402 62.885 63.200 0.145 0.000 0.838 196 S HN 0.135 nan 8.310 nan 0.000 0.462 197 S N 1.768 117.516 115.700 0.080 0.000 2.453 197 S HA 0.106 4.576 4.470 -0.000 0.000 0.231 197 S C 1.956 176.617 174.600 0.102 0.000 1.005 197 S CA 0.679 58.921 58.200 0.070 0.000 0.949 197 S CB -0.191 63.029 63.200 0.034 0.000 0.774 197 S HN 0.542 nan 8.310 nan 0.000 0.510 198 R N 0.856 121.401 120.500 0.074 0.000 2.073 198 R HA 0.139 4.479 4.340 -0.000 0.000 0.229 198 R C 2.418 178.763 176.300 0.076 0.000 1.120 198 R CA 1.147 57.278 56.100 0.053 0.000 0.967 198 R CB -0.283 30.037 30.300 0.035 0.000 0.862 198 R HN 0.352 nan 8.270 nan 0.000 0.436 199 M N -0.131 119.524 119.600 0.091 0.000 2.175 199 M HA -0.181 4.299 4.480 -0.000 0.000 0.264 199 M C 1.840 178.202 176.300 0.104 0.000 1.063 199 M CA 1.499 56.845 55.300 0.077 0.000 1.119 199 M CB -0.165 32.476 32.600 0.068 0.000 1.377 199 M HN 0.353 nan 8.290 nan 0.000 0.415 200 W N 1.353 122.618 121.300 -0.057 0.000 2.332 200 W HA -0.253 4.407 4.660 -0.000 0.000 0.321 200 W C 2.299 178.804 176.519 -0.023 0.000 1.219 200 W CA 1.934 59.236 57.345 -0.070 0.000 1.277 200 W CB -0.848 28.551 29.460 -0.102 0.000 1.161 200 W HN 0.272 nan 8.180 nan 0.000 0.476 201 R N 0.675 121.372 120.500 0.329 0.000 2.127 201 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 201 R C 2.238 178.601 176.300 0.106 0.000 1.134 201 R CA 2.017 58.218 56.100 0.168 0.000 0.975 201 R CB -0.411 29.843 30.300 -0.076 0.000 0.865 201 R HN 0.241 nan 8.270 nan 0.000 0.447 202 E N 0.099 120.341 120.200 0.071 0.000 2.072 202 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 202 E C 2.032 178.659 176.600 0.044 0.000 0.985 202 E CA 1.289 57.719 56.400 0.050 0.000 0.801 202 E CB -0.012 29.706 29.700 0.030 0.000 0.750 202 E HN 0.435 nan 8.360 nan 0.000 0.452 203 I N 1.018 121.593 120.570 0.007 0.000 2.133 203 I HA -0.218 3.952 4.170 -0.000 0.000 0.238 203 I C 2.599 178.715 176.117 -0.001 0.000 1.074 203 I CA 0.883 62.155 61.300 -0.046 0.000 1.342 203 I CB -0.441 37.462 38.000 -0.162 0.000 1.053 203 I HN 0.040 nan 8.210 nan 0.000 0.404 204 A N 0.259 123.082 122.820 0.005 0.000 2.032 204 A HA -0.275 4.045 4.320 -0.000 0.000 0.221 204 A C 2.136 179.882 177.584 0.270 0.000 1.165 204 A CA 2.084 54.209 52.037 0.147 0.000 0.645 204 A CB -0.542 18.571 19.000 0.188 0.000 0.807 204 A HN 0.439 nan 8.150 nan 0.000 0.453 205 E N 0.043 120.378 120.200 0.225 0.000 2.112 205 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 205 E C 1.907 178.578 176.600 0.119 0.000 0.979 205 E CA 1.401 57.926 56.400 0.209 0.000 0.814 205 E CB -0.162 29.657 29.700 0.198 0.000 0.762 205 E HN 0.722 nan 8.360 nan 0.000 0.460 206 E N -0.681 119.563 120.200 0.075 0.000 2.028 206 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 206 E C 1.966 178.563 176.600 -0.004 0.000 0.988 206 E CA 1.656 58.070 56.400 0.024 0.000 0.799 206 E CB -0.136 29.566 29.700 0.003 0.000 0.755 206 E HN 0.221 nan 8.360 nan 0.000 0.447 207 T N 1.205 115.770 114.554 0.019 0.000 2.849 207 T HA -0.174 4.176 4.350 -0.000 0.000 0.270 207 T C 1.945 176.499 174.700 -0.243 0.000 1.066 207 T CA 0.980 63.061 62.100 -0.032 0.000 1.130 207 T CB -0.247 68.694 68.868 0.122 0.000 0.864 207 T HN 0.248 nan 8.240 nan 0.000 0.481 208 A N 2.708 125.453 122.820 -0.124 0.000 1.917 208 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 208 A C 2.132 179.616 177.584 -0.167 0.000 1.182 208 A CA 1.815 53.754 52.037 -0.164 0.000 0.633 208 A CB -0.524 18.556 19.000 0.133 0.000 0.819 208 A HN 0.719 nan 8.150 nan 0.000 0.448 209 K N -0.681 119.652 120.400 -0.111 0.000 2.525 209 K HA 0.051 4.371 4.320 -0.000 0.000 0.192 209 K C 0.548 177.040 176.600 -0.179 0.000 1.029 209 K CA 0.761 56.985 56.287 -0.106 0.000 1.029 209 K CB 0.053 32.514 32.500 -0.066 0.000 0.814 209 K HN 0.284 nan 8.250 nan 0.000 0.503 210 K N 0.533 120.758 120.400 -0.291 0.000 2.440 210 K HA 0.096 4.416 4.320 -0.000 0.000 0.206 210 K C -0.880 175.208 176.600 -0.853 0.000 1.025 210 K CA -0.043 55.945 56.287 -0.499 0.000 1.135 210 K CB 0.423 32.593 32.500 -0.550 0.000 0.856 210 K HN 0.201 nan 8.250 nan 0.000 0.502 211 Y N 0.016 120.142 120.300 -0.290 0.000 2.911 211 Y HA 0.113 4.663 4.550 -0.000 0.000 0.257 211 Y C -1.904 173.919 175.900 -0.128 0.000 0.920 211 Y CA -1.444 56.521 58.100 -0.224 0.000 1.134 211 Y CB 0.768 39.016 38.460 -0.354 0.000 1.200 211 Y HN -0.018 nan 8.280 nan 0.000 0.625 212 P HA -0.245 nan 4.420 nan 0.000 0.219 212 P C 0.490 177.820 177.300 0.051 0.000 1.151 212 P CA 2.047 65.154 63.100 0.012 0.000 0.850 212 P CB 0.255 31.946 31.700 -0.015 0.000 0.784 213 D N -0.965 119.479 120.400 0.074 0.000 2.336 213 D HA 0.095 4.735 4.640 -0.000 0.000 0.228 213 D C 0.102 176.465 176.300 0.104 0.000 1.120 213 D CA -0.419 53.627 54.000 0.077 0.000 0.839 213 D CB -0.515 40.324 40.800 0.066 0.000 0.932 213 D HN 0.033 nan 8.370 nan 0.000 0.509 214 V N 1.116 121.117 119.914 0.146 0.000 2.378 214 V HA 0.123 4.243 4.120 -0.000 0.000 0.288 214 V C 0.152 176.352 176.094 0.177 0.000 1.016 214 V CA -1.050 61.361 62.300 0.185 0.000 0.840 214 V CB 1.679 33.701 31.823 0.331 0.000 0.994 214 V HN 0.164 nan 8.190 nan 0.000 0.431 215 E N 5.049 125.313 120.200 0.106 0.000 1.944 215 E HA 0.116 4.466 4.350 -0.000 0.000 0.272 215 E C -0.736 175.897 176.600 0.055 0.000 1.195 215 E CA -0.582 55.861 56.400 0.070 0.000 0.926 215 E CB 0.827 30.547 29.700 0.035 0.000 1.051 215 E HN 0.542 nan 8.360 nan 0.000 0.404 216 L N 3.952 125.221 121.223 0.076 0.000 2.371 216 L HA 0.280 4.620 4.340 -0.000 0.000 0.272 216 L C -0.985 175.819 176.870 -0.110 0.000 1.124 216 L CA 0.286 55.122 54.840 -0.007 0.000 0.816 216 L CB 1.501 43.606 42.059 0.076 0.000 1.129 216 L HN 0.345 nan 8.230 nan 0.000 0.448 217 S N 3.414 119.019 115.700 -0.159 0.000 2.540 217 S HA 0.590 5.060 4.470 -0.000 0.000 0.275 217 S C -1.034 173.468 174.600 -0.163 0.000 1.123 217 S CA -0.751 57.361 58.200 -0.147 0.000 0.907 217 S CB 1.291 64.471 63.200 -0.034 0.000 1.081 217 S HN 0.622 nan 8.310 nan 0.000 0.476 218 H N 1.472 120.576 119.070 0.056 0.000 2.508 218 H HA 0.678 5.234 4.556 -0.000 0.000 0.344 218 H C -0.420 174.931 175.328 0.038 0.000 1.192 218 H CA -0.631 55.449 56.048 0.053 0.000 1.290 218 H CB 1.161 30.956 29.762 0.055 0.000 1.571 218 H HN 0.444 nan 8.280 nan 0.000 0.555 219 M N 1.642 121.337 119.600 0.158 0.000 2.426 219 M HA 0.177 4.657 4.480 -0.000 0.000 0.289 219 M C -1.220 175.074 176.300 -0.010 0.000 1.168 219 M CA -0.474 54.868 55.300 0.070 0.000 0.933 219 M CB 2.753 35.405 32.600 0.085 0.000 1.750 219 M HN 0.214 nan 8.290 nan 0.000 0.494 220 L N 1.886 123.084 121.223 -0.043 0.000 2.417 220 L HA 0.224 4.564 4.340 -0.000 0.000 0.268 220 L C 1.365 178.117 176.870 -0.198 0.000 1.158 220 L CA -0.260 54.509 54.840 -0.119 0.000 0.819 220 L CB 1.136 43.139 42.059 -0.093 0.000 1.112 220 L HN 0.661 nan 8.230 nan 0.000 0.458 221 V N 2.012 121.702 119.914 -0.374 0.000 2.469 221 V HA -0.295 3.825 4.120 -0.000 0.000 0.251 221 V C 1.809 177.700 176.094 -0.338 0.000 1.064 221 V CA 2.696 64.679 62.300 -0.529 0.000 1.066 221 V CB -0.447 30.640 31.823 -1.226 0.000 0.667 221 V HN 1.085 nan 8.190 nan 0.000 0.461 222 D N -1.010 119.241 120.400 -0.250 0.000 2.183 222 D HA -0.138 4.502 4.640 -0.000 0.000 0.203 222 D C 2.189 178.434 176.300 -0.092 0.000 0.969 222 D CA 1.389 55.298 54.000 -0.151 0.000 0.842 222 D CB -0.553 40.179 40.800 -0.113 0.000 0.957 222 D HN 0.445 nan 8.370 nan 0.000 0.484 223 S N -0.932 114.722 115.700 -0.076 0.000 2.436 223 S HA -0.081 4.389 4.470 -0.000 0.000 0.228 223 S C 1.761 176.366 174.600 0.008 0.000 1.014 223 S CA 1.186 59.370 58.200 -0.026 0.000 0.950 223 S CB -0.653 62.538 63.200 -0.014 0.000 0.784 223 S HN 0.312 nan 8.310 nan 0.000 0.504 224 T N 1.680 116.221 114.554 -0.021 0.000 2.951 224 T HA 0.149 4.499 4.350 -0.000 0.000 0.268 224 T C 1.983 176.675 174.700 -0.013 0.000 1.073 224 T CA 0.987 63.096 62.100 0.014 0.000 1.134 224 T CB -0.390 68.418 68.868 -0.099 0.000 0.884 224 T HN 0.479 nan 8.240 nan 0.000 0.479 225 A N 1.260 124.050 122.820 -0.050 0.000 1.969 225 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 225 A C 2.238 179.823 177.584 0.001 0.000 1.169 225 A CA 1.109 53.122 52.037 -0.040 0.000 0.635 225 A CB -0.518 18.448 19.000 -0.057 0.000 0.810 225 A HN 0.451 nan 8.150 nan 0.000 0.445 226 M N -1.208 118.399 119.600 0.012 0.000 2.236 226 M HA -0.081 4.399 4.480 -0.000 0.000 0.266 226 M C 2.143 178.475 176.300 0.054 0.000 1.070 226 M CA 0.864 56.178 55.300 0.024 0.000 1.137 226 M CB -0.216 32.391 32.600 0.012 0.000 1.378 226 M HN 0.303 nan 8.290 nan 0.000 0.426 227 Q N 0.463 120.322 119.800 0.098 0.000 2.297 227 Q HA -0.003 4.337 4.340 -0.000 0.000 0.204 227 Q C 2.039 178.180 176.000 0.235 0.000 0.962 227 Q CA 1.052 56.942 55.803 0.145 0.000 0.879 227 Q CB -0.149 28.708 28.738 0.199 0.000 0.947 227 Q HN 0.568 nan 8.270 nan 0.000 0.462 228 L N -0.059 121.293 121.223 0.215 0.000 2.217 228 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 228 L C 1.874 178.807 176.870 0.105 0.000 1.107 228 L CA 0.538 55.483 54.840 0.176 0.000 0.783 228 L CB -0.012 42.069 42.059 0.036 0.000 0.919 228 L HN 0.187 nan 8.230 nan 0.000 0.442 229 I N -1.210 119.403 120.570 0.072 0.000 3.081 229 I HA 0.009 4.179 4.170 -0.000 0.000 0.274 229 I C 2.535 178.676 176.117 0.039 0.000 1.178 229 I CA 0.929 62.256 61.300 0.045 0.000 1.460 229 I CB -1.026 36.991 38.000 0.029 0.000 1.137 229 I HN 0.074 nan 8.210 nan 0.000 0.443 230 A N 0.844 123.687 122.820 0.039 0.000 1.874 230 A HA -0.070 4.250 4.320 -0.000 0.000 0.214 230 A C 1.251 178.842 177.584 0.011 0.000 1.189 230 A CA 1.461 53.510 52.037 0.020 0.000 0.615 230 A CB -0.282 18.726 19.000 0.013 0.000 0.830 230 A HN 0.430 nan 8.150 nan 0.000 0.443 231 N N -1.306 117.403 118.700 0.014 0.000 2.700 231 N HA 0.182 4.922 4.740 -0.000 0.000 0.242 231 N C -2.399 173.100 175.510 -0.018 0.000 1.541 231 N CA -1.128 51.909 53.050 -0.021 0.000 0.764 231 N CB 1.107 39.554 38.487 -0.067 0.000 1.319 231 N HN 0.011 nan 8.380 nan 0.000 0.518 232 P HA 0.015 nan 4.420 nan 0.000 0.225 232 P C 1.258 178.634 177.300 0.127 0.000 1.148 232 P CA 0.685 63.905 63.100 0.201 0.000 0.779 232 P CB 0.099 31.898 31.700 0.165 0.000 0.780 233 G N 1.125 109.934 108.800 0.016 0.000 2.559 233 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 233 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 233 G C 1.582 176.442 174.900 -0.068 0.000 1.126 233 G CA 0.374 45.469 45.100 -0.008 0.000 0.778 233 G HN 0.485 nan 8.290 nan 0.000 0.543 234 Q N -0.835 118.845 119.800 -0.200 0.000 2.297 234 Q HA 0.094 4.434 4.340 -0.000 0.000 0.204 234 Q C 0.240 176.036 176.000 -0.339 0.000 0.962 234 Q CA 0.099 55.706 55.803 -0.328 0.000 0.879 234 Q CB -0.200 28.224 28.738 -0.524 0.000 0.947 234 Q HN 0.308 nan 8.270 nan 0.000 0.462 235 F N 1.122 121.061 119.950 -0.019 0.000 2.380 235 F HA 0.218 4.745 4.527 -0.000 0.000 0.325 235 F C 0.890 176.678 175.800 -0.021 0.000 1.136 235 F CA -0.493 57.494 58.000 -0.022 0.000 1.171 235 F CB 1.016 40.003 39.000 -0.022 0.000 1.230 235 F HN 0.034 nan 8.300 nan 0.000 0.554 236 D N -0.231 120.298 120.400 0.214 0.000 3.054 236 D HA 0.201 4.841 4.640 -0.000 0.000 0.209 236 D C -0.987 175.358 176.300 0.076 0.000 1.527 236 D CA 0.542 54.604 54.000 0.102 0.000 1.427 236 D CB 0.306 41.142 40.800 0.059 0.000 1.059 236 D HN 0.087 nan 8.370 nan 0.000 0.243 237 V N 1.811 121.751 119.914 0.043 0.000 2.513 237 V HA 0.499 4.619 4.120 -0.000 0.000 0.299 237 V C -0.212 175.860 176.094 -0.036 0.000 1.035 237 V CA -0.638 61.654 62.300 -0.013 0.000 0.889 237 V CB 1.759 33.550 31.823 -0.054 0.000 0.988 237 V HN 0.228 nan 8.190 nan 0.000 0.440 238 I N 4.380 124.904 120.570 -0.076 0.000 2.466 238 I HA 0.542 4.712 4.170 -0.000 0.000 0.289 238 I C -0.868 175.208 176.117 -0.069 0.000 1.026 238 I CA -0.821 60.413 61.300 -0.109 0.000 1.078 238 I CB 2.184 40.038 38.000 -0.242 0.000 1.249 238 I HN 0.385 nan 8.210 nan 0.000 0.429 239 V N 5.996 125.897 119.914 -0.021 0.000 2.487 239 V HA 0.721 4.841 4.120 -0.000 0.000 0.298 239 V C -0.582 175.606 176.094 0.156 0.000 1.028 239 V CA 0.185 62.530 62.300 0.075 0.000 0.860 239 V CB 2.025 33.898 31.823 0.083 0.000 0.991 239 V HN 0.866 nan 8.190 nan 0.000 0.427 240 T N 3.703 118.336 114.554 0.132 0.000 2.816 240 T HA 0.527 4.877 4.350 -0.000 0.000 0.299 240 T C -0.647 173.972 174.700 -0.134 0.000 1.230 240 T CA -0.128 61.924 62.100 -0.080 0.000 1.007 240 T CB 1.795 70.621 68.868 -0.070 0.000 1.289 240 T HN 1.023 nan 8.240 nan 0.000 0.508 241 E N 1.729 121.583 120.200 -0.575 0.000 2.397 241 E HA 0.271 4.621 4.350 -0.000 0.000 0.254 241 E C 1.126 177.654 176.600 -0.120 0.000 1.231 241 E CA -0.327 55.848 56.400 -0.374 0.000 0.954 241 E CB 0.293 29.602 29.700 -0.652 0.000 1.024 241 E HN 0.552 nan 8.360 nan 0.000 0.481 242 N N 0.127 118.835 118.700 0.013 0.000 2.027 242 N HA -0.302 4.438 4.740 -0.000 0.000 0.200 242 N C 1.534 176.887 175.510 -0.263 0.000 1.042 242 N CA 2.437 55.444 53.050 -0.071 0.000 0.871 242 N CB -0.239 38.209 38.487 -0.065 0.000 1.063 242 N HN 0.691 nan 8.380 nan 0.000 0.438 243 M N -0.617 118.714 119.600 -0.449 0.000 2.067 243 M HA -0.014 4.466 4.480 -0.000 0.000 0.260 243 M C 1.484 177.736 176.300 -0.080 0.000 1.069 243 M CA 1.495 56.560 55.300 -0.391 0.000 1.117 243 M CB -0.719 31.631 32.600 -0.416 0.000 1.334 243 M HN 0.190 nan 8.290 nan 0.000 0.407 244 F N 0.016 119.882 119.950 -0.139 0.000 2.202 244 F HA -0.006 4.521 4.527 -0.000 0.000 0.301 244 F C 2.465 178.199 175.800 -0.109 0.000 1.082 244 F CA 1.115 59.036 58.000 -0.131 0.000 1.313 244 F CB -2.047 36.835 39.000 -0.196 0.000 1.024 244 F HN 0.320 nan 8.300 nan 0.000 0.495 245 G N -0.696 108.147 108.800 0.073 0.000 2.396 245 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.214 245 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.214 245 G C 1.163 176.086 174.900 0.038 0.000 1.166 245 G CA 0.763 45.883 45.100 0.033 0.000 0.793 245 G HN 0.330 nan 8.290 nan 0.000 0.533 246 D N -0.239 120.188 120.400 0.044 0.000 2.420 246 D HA 0.003 4.643 4.640 -0.000 0.000 0.233 246 D C 1.819 178.165 176.300 0.078 0.000 1.017 246 D CA 0.451 54.499 54.000 0.080 0.000 0.951 246 D CB -0.156 40.732 40.800 0.146 0.000 0.877 246 D HN 0.433 nan 8.370 nan 0.000 0.528 247 I N -1.432 119.175 120.570 0.062 0.000 3.746 247 I HA -0.030 4.140 4.170 -0.000 0.000 0.262 247 I C 2.001 178.127 176.117 0.015 0.000 1.153 247 I CA -0.207 61.122 61.300 0.049 0.000 1.395 247 I CB 0.012 38.051 38.000 0.065 0.000 1.589 247 I HN -0.076 nan 8.210 nan 0.000 0.441 248 L N 0.734 121.954 121.223 -0.004 0.000 2.129 248 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 248 L C 2.569 179.415 176.870 -0.040 0.000 1.087 248 L CA 1.251 56.062 54.840 -0.048 0.000 0.757 248 L CB -0.682 41.325 42.059 -0.087 0.000 0.896 248 L HN 0.239 nan 8.230 nan 0.000 0.434 249 S N -0.076 115.615 115.700 -0.015 0.000 2.344 249 S HA -0.197 4.273 4.470 -0.000 0.000 0.217 249 S C 1.530 176.132 174.600 0.003 0.000 1.033 249 S CA 1.553 59.749 58.200 -0.007 0.000 1.017 249 S CB -0.321 62.885 63.200 0.010 0.000 0.941 249 S HN 0.418 nan 8.310 nan 0.000 0.430 250 D N 1.126 121.535 120.400 0.015 0.000 2.126 250 D HA -0.126 4.514 4.640 -0.000 0.000 0.190 250 D C 1.902 178.210 176.300 0.014 0.000 1.001 250 D CA 0.833 54.846 54.000 0.020 0.000 0.841 250 D CB -0.563 40.254 40.800 0.027 0.000 0.949 250 D HN 0.122 nan 8.370 nan 0.000 0.446 251 L N 0.707 121.933 121.223 0.006 0.000 1.971 251 L HA -0.193 4.147 4.340 -0.000 0.000 0.215 251 L C 2.108 178.979 176.870 0.003 0.000 1.072 251 L CA 2.268 57.109 54.840 0.002 0.000 0.758 251 L CB -0.903 41.150 42.059 -0.010 0.000 0.889 251 L HN 0.057 nan 8.230 nan 0.000 0.433 252 A N -1.839 120.974 122.820 -0.011 0.000 2.076 252 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 252 A C 2.195 179.786 177.584 0.012 0.000 1.160 252 A CA 1.839 53.871 52.037 -0.009 0.000 0.653 252 A CB -0.768 18.211 19.000 -0.035 0.000 0.801 252 A HN 0.561 nan 8.150 nan 0.000 0.455 253 S N -1.005 114.705 115.700 0.017 0.000 2.603 253 S HA 0.115 4.585 4.470 -0.000 0.000 0.220 253 S C 1.349 175.971 174.600 0.036 0.000 0.967 253 S CA 0.876 59.094 58.200 0.030 0.000 0.920 253 S CB 0.058 63.276 63.200 0.032 0.000 0.773 253 S HN 0.951 nan 8.310 nan 0.000 0.529 254 V N -1.161 118.771 119.914 0.031 0.000 3.562 254 V HA 0.238 4.358 4.120 -0.000 0.000 0.270 254 V C 1.446 177.560 176.094 0.033 0.000 1.418 254 V CA -0.206 62.114 62.300 0.033 0.000 1.033 254 V CB -0.629 31.210 31.823 0.028 0.000 0.820 254 V HN 0.366 nan 8.190 nan 0.000 0.441 255 I N 1.896 122.484 120.570 0.031 0.000 2.850 255 I HA 0.008 4.178 4.170 -0.000 0.000 0.266 255 I C 1.780 177.919 176.117 0.036 0.000 1.257 255 I CA 2.107 63.426 61.300 0.032 0.000 1.465 255 I CB -1.674 36.347 38.000 0.034 0.000 1.091 255 I HN 0.434 nan 8.210 nan 0.000 0.467 256 T N -3.105 111.475 114.554 0.042 0.000 2.971 256 T HA 0.413 4.763 4.350 -0.000 0.000 0.252 256 T C 1.650 176.385 174.700 0.058 0.000 1.022 256 T CA 0.205 62.336 62.100 0.051 0.000 0.980 256 T CB -0.285 68.619 68.868 0.059 0.000 1.044 256 T HN 0.583 nan 8.240 nan 0.000 0.501 257 G N 2.492 111.323 108.800 0.052 0.000 2.361 257 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.294 257 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.294 257 G C 0.381 175.317 174.900 0.060 0.000 1.004 257 G CA 0.604 45.734 45.100 0.050 0.000 0.870 257 G HN 1.262 nan 8.290 nan 0.000 0.510 258 S N -1.233 114.514 115.700 0.077 0.000 2.384 258 S HA 0.627 5.097 4.470 -0.000 0.000 0.227 258 S C 0.448 175.106 174.600 0.097 0.000 1.257 258 S CA -0.479 57.777 58.200 0.093 0.000 1.249 258 S CB 1.162 64.448 63.200 0.143 0.000 1.018 258 S HN 0.770 nan 8.310 nan 0.000 0.478 259 L N 2.168 123.440 121.223 0.082 0.000 2.506 259 L HA 0.703 5.043 4.340 -0.000 0.000 0.199 259 L C 1.592 178.529 176.870 0.111 0.000 1.178 259 L CA 1.874 56.772 54.840 0.097 0.000 0.868 259 L CB -1.090 41.021 42.059 0.087 0.000 1.451 259 L HN 0.785 nan 8.230 nan 0.000 0.526 260 G N 0.299 109.201 108.800 0.170 0.000 2.225 260 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.272 260 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.272 260 G C 0.600 175.609 174.900 0.181 0.000 0.996 260 G CA 1.353 46.572 45.100 0.198 0.000 0.710 260 G HN 0.739 nan 8.290 nan 0.000 0.522 261 M N -1.415 118.279 119.600 0.157 0.000 2.114 261 M HA 0.482 4.962 4.480 -0.000 0.000 0.325 261 M C 0.598 176.980 176.300 0.137 0.000 0.946 261 M CA 0.190 55.561 55.300 0.118 0.000 1.137 261 M CB 0.529 33.185 32.600 0.092 0.000 2.041 261 M HN 0.035 nan 8.290 nan 0.000 0.692 262 L N 4.098 125.399 121.223 0.130 0.000 2.367 262 L HA 0.416 4.756 4.340 -0.000 0.000 0.275 262 L C -2.171 174.743 176.870 0.074 0.000 1.129 262 L CA -1.671 53.232 54.840 0.105 0.000 0.839 262 L CB 0.284 42.394 42.059 0.085 0.000 1.133 262 L HN 0.098 nan 8.230 nan 0.000 0.453 263 P HA 0.255 nan 4.420 nan 0.000 0.287 263 P C -1.206 176.135 177.300 0.068 0.000 1.279 263 P CA -0.607 62.537 63.100 0.074 0.000 0.867 263 P CB 2.211 33.971 31.700 0.100 0.000 1.127 264 S N 0.291 116.029 115.700 0.063 0.000 2.547 264 S HA 0.747 5.217 4.470 -0.000 0.000 0.281 264 S C -1.399 173.218 174.600 0.029 0.000 1.118 264 S CA -0.576 57.646 58.200 0.036 0.000 0.947 264 S CB 0.711 63.906 63.200 -0.009 0.000 1.053 264 S HN 0.643 nan 8.310 nan 0.000 0.482 265 A N 2.690 125.496 122.820 -0.023 0.000 2.414 265 A HA 0.833 5.153 4.320 -0.000 0.000 0.306 265 A C -0.817 176.611 177.584 -0.260 0.000 1.054 265 A CA -0.666 51.251 52.037 -0.200 0.000 0.724 265 A CB 1.840 20.828 19.000 -0.021 0.000 1.267 265 A HN 0.733 nan 8.150 nan 0.000 0.418 266 S N 1.776 117.241 115.700 -0.391 0.000 2.733 266 S HA 0.623 5.093 4.470 -0.000 0.000 0.307 266 S C -0.328 174.078 174.600 -0.323 0.000 1.127 266 S CA -0.417 57.615 58.200 -0.279 0.000 1.097 266 S CB 0.303 63.393 63.200 -0.184 0.000 1.003 266 S HN 0.581 nan 8.310 nan 0.000 0.477 267 L N 2.854 123.874 121.223 -0.337 0.000 2.293 267 L HA 0.782 5.122 4.340 -0.000 0.000 0.264 267 L C 0.424 176.988 176.870 -0.511 0.000 1.029 267 L CA -1.364 53.272 54.840 -0.340 0.000 0.897 267 L CB 1.092 42.952 42.059 -0.331 0.000 1.497 267 L HN 0.632 nan 8.230 nan 0.000 0.495 268 R N -2.025 118.189 120.500 -0.476 0.000 3.174 268 R HA 0.422 4.762 4.340 -0.000 0.000 0.261 268 R C 0.384 176.537 176.300 -0.245 0.000 1.071 268 R CA -0.422 55.283 56.100 -0.659 0.000 0.936 268 R CB 0.699 30.856 30.300 -0.239 0.000 1.436 268 R HN 0.340 nan 8.270 nan 0.000 0.424 269 S N 0.791 116.545 115.700 0.090 0.000 2.377 269 S HA -0.211 4.259 4.470 -0.000 0.000 0.224 269 S C 0.626 175.261 174.600 0.057 0.000 1.042 269 S CA 2.253 60.541 58.200 0.147 0.000 1.086 269 S CB -0.700 62.601 63.200 0.168 0.000 0.995 269 S HN 0.713 nan 8.310 nan 0.000 0.428 270 D N 0.086 120.512 120.400 0.044 0.000 2.182 270 D HA 0.121 4.761 4.640 -0.000 0.000 0.284 270 D C 0.951 177.265 176.300 0.023 0.000 1.152 270 D CA 0.038 54.062 54.000 0.039 0.000 1.032 270 D CB -0.109 40.719 40.800 0.048 0.000 1.140 270 D HN -0.029 nan 8.370 nan 0.000 0.505 271 R N -2.254 118.263 120.500 0.029 0.000 2.397 271 R HA 0.276 4.616 4.340 -0.000 0.000 0.241 271 R C -0.368 175.911 176.300 -0.034 0.000 0.914 271 R CA -0.549 55.537 56.100 -0.023 0.000 1.071 271 R CB -0.361 29.897 30.300 -0.070 0.000 1.116 271 R HN 0.270 nan 8.270 nan 0.000 0.524 272 F N 0.343 120.234 119.950 -0.098 0.000 2.484 272 F HA 0.487 5.013 4.527 -0.000 0.000 0.360 272 F C 0.551 176.294 175.800 -0.095 0.000 1.101 272 F CA 0.114 58.064 58.000 -0.084 0.000 1.251 272 F CB 0.605 39.574 39.000 -0.051 0.000 1.132 272 F HN 0.022 nan 8.300 nan 0.000 0.570 273 G N 5.798 114.298 108.800 -0.500 0.000 2.692 273 G HA2 0.500 4.460 3.960 -0.000 0.000 0.291 273 G HA3 0.500 4.460 3.960 -0.000 0.000 0.291 273 G C -2.044 172.535 174.900 -0.535 0.000 1.423 273 G CA -1.046 43.821 45.100 -0.388 0.000 0.843 273 G HN 0.796 nan 8.290 nan 0.000 0.486 274 M N 1.425 120.702 119.600 -0.538 0.000 2.134 274 M HA 0.617 5.097 4.480 -0.000 0.000 0.310 274 M C -1.805 174.212 176.300 -0.472 0.000 0.966 274 M CA -0.779 54.338 55.300 -0.306 0.000 0.922 274 M CB 1.132 33.670 32.600 -0.103 0.000 1.537 274 M HN 0.492 nan 8.290 nan 0.000 0.424 275 Y N 3.053 123.314 120.300 -0.064 0.000 2.387 275 Y HA 0.653 5.203 4.550 -0.000 0.000 0.336 275 Y C -0.050 175.834 175.900 -0.025 0.000 1.067 275 Y CA -0.621 57.460 58.100 -0.032 0.000 1.114 275 Y CB 1.247 39.692 38.460 -0.025 0.000 1.208 275 Y HN 0.616 nan 8.280 nan 0.000 0.458 276 E N 2.909 123.157 120.200 0.081 0.000 2.390 276 E HA 0.432 4.782 4.350 -0.000 0.000 0.280 276 E C -3.455 173.123 176.600 -0.036 0.000 0.992 276 E CA -2.334 54.074 56.400 0.014 0.000 0.790 276 E CB 2.937 32.624 29.700 -0.022 0.000 1.248 276 E HN 0.220 nan 8.360 nan 0.000 0.447 277 P HA 0.032 nan 4.420 nan 0.000 0.274 277 P C 0.777 177.907 177.300 -0.283 0.000 1.256 277 P CA -0.453 62.502 63.100 -0.242 0.000 0.795 277 P CB 1.266 32.664 31.700 -0.503 0.000 1.038 278 V N -0.107 119.680 119.914 -0.212 0.000 2.346 278 V HA -0.115 4.005 4.120 -0.000 0.000 0.244 278 V C 1.318 177.345 176.094 -0.111 0.000 1.037 278 V CA 1.516 63.752 62.300 -0.106 0.000 1.029 278 V CB -1.994 29.825 31.823 -0.008 0.000 0.663 278 V HN 0.742 nan 8.190 nan 0.000 0.454 279 H N 0.451 119.541 119.070 0.034 0.000 2.983 279 H HA 0.367 4.923 4.556 -0.000 0.000 0.361 279 H C 0.695 176.039 175.328 0.027 0.000 1.145 279 H CA 0.158 56.224 56.048 0.030 0.000 1.404 279 H CB -0.229 29.551 29.762 0.029 0.000 1.356 279 H HN 0.195 nan 8.280 nan 0.000 0.612 280 G N -0.202 108.743 108.800 0.242 0.000 2.516 280 G HA2 0.198 4.158 3.960 -0.000 0.000 0.276 280 G HA3 0.198 4.158 3.960 -0.000 0.000 0.276 280 G C 0.878 175.915 174.900 0.229 0.000 1.390 280 G CA -0.262 44.937 45.100 0.166 0.000 1.050 280 G HN 0.920 nan 8.290 nan 0.000 0.519 281 S N -1.312 114.466 115.700 0.130 0.000 2.562 281 S HA 0.308 4.778 4.470 -0.000 0.000 0.221 281 S C 1.492 176.147 174.600 0.091 0.000 0.975 281 S CA 1.022 59.290 58.200 0.114 0.000 0.918 281 S CB -0.420 62.827 63.200 0.079 0.000 0.772 281 S HN 2.111 nan 8.310 nan 0.000 0.531 282 A N 2.939 125.805 122.820 0.077 0.000 1.897 282 A HA -0.106 4.214 4.320 -0.000 0.000 0.251 282 A C -0.317 177.294 177.584 0.045 0.000 1.288 282 A CA 0.595 52.657 52.037 0.042 0.000 0.747 282 A CB -1.290 17.709 19.000 -0.002 0.000 1.182 282 A HN 0.580 nan 8.150 nan 0.000 0.292 283 P HA -0.111 nan 4.420 nan 0.000 0.214 283 P C 0.440 177.767 177.300 0.045 0.000 1.162 283 P CA 1.466 64.608 63.100 0.070 0.000 0.874 283 P CB -0.119 31.637 31.700 0.092 0.000 0.784 284 D N -0.286 120.133 120.400 0.033 0.000 2.813 284 D HA 0.082 4.722 4.640 -0.000 0.000 0.248 284 D C 1.076 177.384 176.300 0.014 0.000 1.254 284 D CA 0.445 54.457 54.000 0.020 0.000 0.921 284 D CB -0.858 39.952 40.800 0.016 0.000 1.118 284 D HN 0.276 nan 8.370 nan 0.000 0.450 285 I N -2.297 118.281 120.570 0.015 0.000 5.143 285 I HA 0.146 4.316 4.170 -0.000 0.000 0.390 285 I C -0.117 176.004 176.117 0.008 0.000 1.080 285 I CA 0.038 61.341 61.300 0.006 0.000 1.551 285 I CB -0.057 37.940 38.000 -0.004 0.000 2.242 285 I HN -0.033 nan 8.210 nan 0.000 0.724 286 A N 0.953 123.784 122.820 0.018 0.000 2.492 286 A HA 0.416 4.736 4.320 -0.000 0.000 0.236 286 A C 1.601 179.196 177.584 0.018 0.000 1.078 286 A CA 1.264 53.315 52.037 0.023 0.000 0.773 286 A CB -0.432 18.593 19.000 0.041 0.000 1.023 286 A HN 1.340 nan 8.150 nan 0.000 0.504 287 G N -0.085 108.725 108.800 0.016 0.000 2.417 287 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.233 287 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.233 287 G C 0.946 175.849 174.900 0.006 0.000 1.103 287 G CA 0.926 46.033 45.100 0.012 0.000 0.647 287 G HN 0.812 nan 8.290 nan 0.000 0.512 288 Q N 0.378 120.180 119.800 0.004 0.000 2.369 288 Q HA 0.349 4.689 4.340 -0.000 0.000 0.206 288 Q C 1.962 177.960 176.000 -0.003 0.000 0.963 288 Q CA 1.014 56.817 55.803 -0.000 0.000 0.894 288 Q CB -0.064 28.673 28.738 -0.001 0.000 0.965 288 Q HN 1.762 nan 8.270 nan 0.000 0.475 289 G N 1.120 109.918 108.800 -0.004 0.000 2.221 289 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.265 289 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.265 289 G C 0.636 175.528 174.900 -0.012 0.000 1.041 289 G CA 0.482 45.578 45.100 -0.008 0.000 0.807 289 G HN 0.126 nan 8.290 nan 0.000 0.502 290 K N -0.107 120.284 120.400 -0.015 0.000 2.356 290 K HA 0.442 4.762 4.320 -0.000 0.000 0.195 290 K C 1.630 178.209 176.600 -0.035 0.000 1.037 290 K CA 0.707 56.982 56.287 -0.020 0.000 1.014 290 K CB -0.140 32.349 32.500 -0.019 0.000 0.815 290 K HN 1.051 nan 8.250 nan 0.000 0.507 291 A N 3.022 125.818 122.820 -0.040 0.000 2.584 291 A HA -0.081 4.238 4.320 -0.000 0.000 0.239 291 A C 0.367 177.915 177.584 -0.061 0.000 1.043 291 A CA 0.008 52.006 52.037 -0.065 0.000 0.756 291 A CB -0.288 18.687 19.000 -0.041 0.000 0.963 291 A HN 0.239 nan 8.150 nan 0.000 0.511 292 N N 3.800 122.441 118.700 -0.098 0.000 2.406 292 N HA 0.194 4.934 4.740 -0.000 0.000 0.251 292 N C -1.619 173.887 175.510 -0.007 0.000 1.069 292 N CA -2.015 51.003 53.050 -0.054 0.000 0.947 292 N CB 1.286 39.736 38.487 -0.062 0.000 1.111 292 N HN 0.377 nan 8.380 nan 0.000 0.497 293 P HA -0.031 nan 4.420 nan 0.000 0.236 293 P C 1.490 178.825 177.300 0.058 0.000 1.177 293 P CA 0.422 63.547 63.100 0.042 0.000 0.773 293 P CB 0.574 32.285 31.700 0.018 0.000 0.878 294 L N -0.249 120.998 121.223 0.040 0.000 2.042 294 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 294 L C 2.826 179.740 176.870 0.073 0.000 1.076 294 L CA 2.063 56.924 54.840 0.034 0.000 0.749 294 L CB -1.773 40.279 42.059 -0.010 0.000 0.893 294 L HN 0.071 nan 8.230 nan 0.000 0.432 295 G N -0.793 108.085 108.800 0.130 0.000 2.432 295 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.219 295 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.219 295 G C 1.550 176.507 174.900 0.095 0.000 1.135 295 G CA 1.258 46.443 45.100 0.141 0.000 0.767 295 G HN 0.340 nan 8.290 nan 0.000 0.550 296 T N 0.313 114.939 114.554 0.120 0.000 2.978 296 T HA 0.046 4.396 4.350 -0.000 0.000 0.262 296 T C 2.490 177.230 174.700 0.066 0.000 1.063 296 T CA 0.620 62.770 62.100 0.084 0.000 1.140 296 T CB 0.090 69.023 68.868 0.108 0.000 0.886 296 T HN 0.055 nan 8.240 nan 0.000 0.470 297 V N 1.910 121.860 119.914 0.060 0.000 2.244 297 V HA -0.085 4.035 4.120 -0.000 0.000 0.244 297 V C 2.513 178.628 176.094 0.034 0.000 1.042 297 V CA 1.480 63.805 62.300 0.040 0.000 1.006 297 V CB -0.655 31.186 31.823 0.030 0.000 0.641 297 V HN 0.424 nan 8.190 nan 0.000 0.446 298 L N 0.156 121.407 121.223 0.047 0.000 2.127 298 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 298 L C 2.720 179.617 176.870 0.045 0.000 1.089 298 L CA 1.828 56.700 54.840 0.053 0.000 0.757 298 L CB -0.707 41.405 42.059 0.088 0.000 0.899 298 L HN 0.459 nan 8.230 nan 0.000 0.434 299 S N -0.073 115.663 115.700 0.060 0.000 2.370 299 S HA -0.223 4.247 4.470 -0.000 0.000 0.226 299 S C 2.133 176.749 174.600 0.027 0.000 1.033 299 S CA 1.360 59.612 58.200 0.087 0.000 1.011 299 S CB -0.062 63.196 63.200 0.095 0.000 0.852 299 S HN 0.454 nan 8.310 nan 0.000 0.457 300 A N 1.413 124.226 122.820 -0.012 0.000 1.898 300 A HA 0.243 4.563 4.320 -0.000 0.000 0.216 300 A C 2.521 180.020 177.584 -0.142 0.000 1.181 300 A CA 1.820 53.807 52.037 -0.082 0.000 0.620 300 A CB -1.470 17.519 19.000 -0.018 0.000 0.819 300 A HN 0.837 nan 8.150 nan 0.000 0.442 301 A N -0.164 122.605 122.820 -0.086 0.000 1.940 301 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 301 A C 2.170 179.641 177.584 -0.189 0.000 1.176 301 A CA 1.596 53.572 52.037 -0.101 0.000 0.631 301 A CB -0.624 18.345 19.000 -0.053 0.000 0.814 301 A HN 0.493 nan 8.150 nan 0.000 0.446 302 L N -1.313 119.793 121.223 -0.195 0.000 2.046 302 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 302 L C 2.837 179.441 176.870 -0.443 0.000 1.077 302 L CA 1.833 56.506 54.840 -0.280 0.000 0.747 302 L CB -0.471 41.617 42.059 0.048 0.000 0.896 302 L HN 0.618 nan 8.230 nan 0.000 0.432 303 M N -0.102 119.004 119.600 -0.823 0.000 2.108 303 M HA -0.261 4.219 4.480 -0.000 0.000 0.261 303 M C 2.248 178.256 176.300 -0.485 0.000 1.066 303 M CA 1.890 56.397 55.300 -1.322 0.000 1.107 303 M CB -0.081 31.787 32.600 -1.220 0.000 1.356 303 M HN 0.197 nan 8.290 nan 0.000 0.406 304 L N -0.470 120.595 121.223 -0.263 0.000 2.046 304 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 304 L C 2.838 179.651 176.870 -0.095 0.000 1.077 304 L CA 1.533 56.331 54.840 -0.070 0.000 0.747 304 L CB -0.737 41.273 42.059 -0.082 0.000 0.896 304 L HN 0.394 nan 8.230 nan 0.000 0.432 305 R N -0.871 119.498 120.500 -0.217 0.000 2.062 305 R HA -0.154 4.186 4.340 -0.000 0.000 0.229 305 R C 2.377 178.586 176.300 -0.153 0.000 1.128 305 R CA 1.554 57.511 56.100 -0.240 0.000 0.960 305 R CB -0.125 29.923 30.300 -0.420 0.000 0.855 305 R HN 0.232 nan 8.270 nan 0.000 0.432 306 Y N -0.909 119.367 120.300 -0.039 0.000 2.347 306 Y HA 0.114 4.664 4.550 -0.000 0.000 0.294 306 Y C 2.522 178.364 175.900 -0.096 0.000 1.117 306 Y CA 0.683 58.771 58.100 -0.020 0.000 1.184 306 Y CB -0.419 38.080 38.460 0.065 0.000 1.047 306 Y HN 0.029 nan 8.280 nan 0.000 0.546 307 S N -1.350 114.302 115.700 -0.080 0.000 2.501 307 S HA 0.080 4.550 4.470 -0.000 0.000 0.220 307 S C 0.587 174.679 174.600 -0.847 0.000 0.997 307 S CA 0.541 58.454 58.200 -0.478 0.000 0.919 307 S CB -0.182 62.602 63.200 -0.693 0.000 0.778 307 S HN 0.312 nan 8.310 nan 0.000 0.523 308 F N -0.043 119.876 119.950 -0.052 0.000 2.960 308 F HA 0.374 4.901 4.527 -0.000 0.000 0.345 308 F C 1.195 176.947 175.800 -0.080 0.000 1.147 308 F CA -0.297 57.654 58.000 -0.082 0.000 1.099 308 F CB 0.092 39.004 39.000 -0.148 0.000 1.219 308 F HN 0.078 nan 8.300 nan 0.000 0.525 309 G N 2.045 110.885 108.800 0.067 0.000 2.366 309 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.299 309 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.299 309 G C 0.089 174.999 174.900 0.016 0.000 1.020 309 G CA 0.266 45.390 45.100 0.040 0.000 1.026 309 G HN 0.409 nan 8.290 nan 0.000 0.512 310 L N -0.213 121.006 121.223 -0.007 0.000 2.959 310 L HA 0.288 4.628 4.340 -0.000 0.000 0.236 310 L C 1.713 178.569 176.870 -0.024 0.000 1.296 310 L CA -0.365 54.452 54.840 -0.038 0.000 1.047 310 L CB 0.717 42.705 42.059 -0.117 0.000 1.395 310 L HN 0.330 nan 8.230 nan 0.000 0.492 311 E N 1.530 121.721 120.200 -0.016 0.000 2.068 311 E HA -0.315 4.035 4.350 -0.000 0.000 0.207 311 E C 2.024 178.620 176.600 -0.007 0.000 1.032 311 E CA 2.093 58.481 56.400 -0.021 0.000 0.839 311 E CB 0.110 29.806 29.700 -0.006 0.000 0.758 311 E HN 0.408 nan 8.360 nan 0.000 0.457 312 K N 0.089 120.498 120.400 0.014 0.000 2.013 312 K HA -0.349 3.971 4.320 -0.000 0.000 0.225 312 K C 2.010 178.621 176.600 0.018 0.000 1.056 312 K CA 2.415 58.716 56.287 0.022 0.000 0.971 312 K CB -0.377 32.147 32.500 0.040 0.000 0.731 312 K HN 0.116 nan 8.250 nan 0.000 0.450 313 E N 0.379 120.597 120.200 0.030 0.000 2.065 313 E HA -0.226 4.124 4.350 -0.000 0.000 0.201 313 E C 1.981 178.579 176.600 -0.003 0.000 1.016 313 E CA 1.749 58.164 56.400 0.025 0.000 0.818 313 E CB -0.542 29.184 29.700 0.042 0.000 0.749 313 E HN 0.523 nan 8.360 nan 0.000 0.453 314 A N 1.124 123.928 122.820 -0.028 0.000 1.896 314 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 314 A C 2.417 179.980 177.584 -0.035 0.000 1.206 314 A CA 2.715 54.718 52.037 -0.058 0.000 0.647 314 A CB -1.183 17.756 19.000 -0.102 0.000 0.828 314 A HN 0.330 nan 8.150 nan 0.000 0.455 315 A N -0.825 121.983 122.820 -0.021 0.000 1.968 315 A HA 0.290 4.610 4.320 -0.000 0.000 0.217 315 A C 2.461 180.053 177.584 0.013 0.000 1.169 315 A CA 1.753 53.789 52.037 -0.002 0.000 0.638 315 A CB -0.909 18.092 19.000 0.001 0.000 0.812 315 A HN 1.133 nan 8.150 nan 0.000 0.446 316 A N 0.683 123.509 122.820 0.011 0.000 1.883 316 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 316 A C 1.995 179.590 177.584 0.019 0.000 1.186 316 A CA 1.762 53.809 52.037 0.016 0.000 0.624 316 A CB -0.560 18.450 19.000 0.016 0.000 0.822 316 A HN 0.418 nan 8.150 nan 0.000 0.444 317 I N 0.962 121.540 120.570 0.014 0.000 2.099 317 I HA -0.288 3.882 4.170 -0.000 0.000 0.239 317 I C 2.505 178.640 176.117 0.031 0.000 1.066 317 I CA 2.122 63.432 61.300 0.016 0.000 1.324 317 I CB -1.983 36.020 38.000 0.006 0.000 1.037 317 I HN 0.680 nan 8.210 nan 0.000 0.401 318 E N 1.180 121.406 120.200 0.043 0.000 2.204 318 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 318 E C 2.020 178.681 176.600 0.102 0.000 0.989 318 E CA 0.862 57.315 56.400 0.088 0.000 0.824 318 E CB -0.296 29.464 29.700 0.100 0.000 0.756 318 E HN 0.489 nan 8.360 nan 0.000 0.477 319 K N 0.872 121.312 120.400 0.067 0.000 2.025 319 K HA -0.043 4.277 4.320 -0.000 0.000 0.207 319 K C 2.352 178.987 176.600 0.058 0.000 1.049 319 K CA 1.080 57.407 56.287 0.065 0.000 0.933 319 K CB -0.183 32.343 32.500 0.043 0.000 0.714 319 K HN 0.169 nan 8.250 nan 0.000 0.438 320 A N 1.069 123.913 122.820 0.040 0.000 1.865 320 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 320 A C 2.264 179.861 177.584 0.022 0.000 1.191 320 A CA 1.636 53.690 52.037 0.027 0.000 0.623 320 A CB -0.835 18.175 19.000 0.017 0.000 0.826 320 A HN 0.095 nan 8.150 nan 0.000 0.444 321 V N 0.504 120.428 119.914 0.017 0.000 2.828 321 V HA -0.246 3.874 4.120 -0.000 0.000 0.260 321 V C 2.102 178.163 176.094 -0.054 0.000 1.101 321 V CA 2.418 64.703 62.300 -0.024 0.000 1.123 321 V CB -0.885 30.922 31.823 -0.027 0.000 0.704 321 V HN 0.678 nan 8.190 nan 0.000 0.493 322 D N -0.398 120.021 120.400 0.032 0.000 2.197 322 D HA -0.099 4.541 4.640 -0.000 0.000 0.212 322 D C 1.870 178.198 176.300 0.047 0.000 0.963 322 D CA 0.896 54.939 54.000 0.071 0.000 0.864 322 D CB 0.005 40.915 40.800 0.184 0.000 1.009 322 D HN 0.359 nan 8.370 nan 0.000 0.479 323 D N 0.158 120.588 120.400 0.049 0.000 2.088 323 D HA -0.149 4.491 4.640 -0.000 0.000 0.191 323 D C 2.323 178.655 176.300 0.054 0.000 0.992 323 D CA 1.076 55.105 54.000 0.049 0.000 0.831 323 D CB -0.454 40.373 40.800 0.046 0.000 0.973 323 D HN 0.095 nan 8.370 nan 0.000 0.447 324 V N 1.672 121.619 119.914 0.056 0.000 2.313 324 V HA -0.271 3.849 4.120 -0.000 0.000 0.253 324 V C 2.680 178.832 176.094 0.095 0.000 1.070 324 V CA 1.442 63.799 62.300 0.095 0.000 1.057 324 V CB -0.581 31.272 31.823 0.049 0.000 0.653 324 V HN 0.222 nan 8.190 nan 0.000 0.450 325 L N -0.956 120.280 121.223 0.021 0.000 2.201 325 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 325 L C 2.547 179.418 176.870 0.001 0.000 1.105 325 L CA 1.279 56.114 54.840 -0.009 0.000 0.775 325 L CB -0.394 41.612 42.059 -0.087 0.000 0.913 325 L HN 0.358 nan 8.230 nan 0.000 0.440 326 Q N 0.409 120.219 119.800 0.016 0.000 2.083 326 Q HA -0.184 4.156 4.340 -0.000 0.000 0.198 326 Q C 1.545 177.533 176.000 -0.020 0.000 0.969 326 Q CA 1.555 57.363 55.803 0.009 0.000 0.838 326 Q CB 0.030 28.783 28.738 0.025 0.000 0.900 326 Q HN 0.349 nan 8.270 nan 0.000 0.436 327 D N -1.090 119.303 120.400 -0.011 0.000 2.271 327 D HA -0.042 4.598 4.640 -0.000 0.000 0.207 327 D C 0.966 177.119 176.300 -0.246 0.000 0.983 327 D CA 1.612 55.562 54.000 -0.084 0.000 0.878 327 D CB -0.106 40.714 40.800 0.032 0.000 0.920 327 D HN 0.511 nan 8.370 nan 0.000 0.479 328 G N -1.759 106.933 108.800 -0.179 0.000 2.184 328 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.206 328 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.206 328 G C -0.347 174.431 174.900 -0.202 0.000 0.995 328 G CA -0.518 44.459 45.100 -0.206 0.000 0.651 328 G HN 0.214 nan 8.290 nan 0.000 0.511 329 Y N 1.396 121.685 120.300 -0.018 0.000 2.393 329 Y HA 0.528 5.078 4.550 -0.000 0.000 0.338 329 Y C 1.241 177.124 175.900 -0.029 0.000 1.029 329 Y CA -0.524 57.564 58.100 -0.021 0.000 1.239 329 Y CB 0.446 38.895 38.460 -0.020 0.000 1.170 329 Y HN 0.769 nan 8.280 nan 0.000 0.515 330 C N -0.378 119.007 119.300 0.141 0.000 3.321 330 C HA 0.650 5.110 4.460 -0.000 0.000 0.329 330 C C 0.339 175.355 174.990 0.044 0.000 1.394 330 C CA -0.841 58.213 59.018 0.059 0.000 1.291 330 C CB 1.349 29.102 27.740 0.021 0.000 1.606 330 C HN 0.840 nan 8.230 nan 0.000 0.463 331 T N -1.083 113.480 114.554 0.015 0.000 3.379 331 T HA 0.544 4.894 4.350 -0.000 0.000 0.274 331 T C 1.373 176.073 174.700 -0.001 0.000 1.555 331 T CA 0.868 62.971 62.100 0.006 0.000 1.297 331 T CB -0.299 68.564 68.868 -0.008 0.000 1.132 331 T HN 2.764 nan 8.240 nan 0.000 0.722 332 G N 3.672 112.476 108.800 0.006 0.000 3.815 332 G HA2 -0.513 3.447 3.960 -0.000 0.000 0.223 332 G HA3 -0.513 3.447 3.960 -0.000 0.000 0.223 332 G C 1.085 175.984 174.900 -0.003 0.000 1.393 332 G CA 0.975 46.076 45.100 0.001 0.000 1.209 332 G HN 0.740 nan 8.290 nan 0.000 0.635 333 D N 1.802 122.196 120.400 -0.010 0.000 2.149 333 D HA -0.101 4.539 4.640 -0.000 0.000 0.194 333 D C 1.642 177.940 176.300 -0.004 0.000 1.001 333 D CA 1.393 55.386 54.000 -0.011 0.000 0.849 333 D CB -0.668 40.117 40.800 -0.025 0.000 0.939 333 D HN 0.587 nan 8.370 nan 0.000 0.449 334 L N 0.283 121.504 121.223 -0.005 0.000 2.436 334 L HA 0.136 4.476 4.340 -0.000 0.000 0.265 334 L C 0.899 177.771 176.870 0.002 0.000 1.168 334 L CA -0.138 54.701 54.840 -0.001 0.000 0.815 334 L CB 0.561 42.613 42.059 -0.012 0.000 1.109 334 L HN -0.045 nan 8.230 nan 0.000 0.462 335 Q N 1.833 121.637 119.800 0.007 0.000 2.936 335 Q HA 0.230 4.570 4.340 -0.000 0.000 0.383 335 Q C -0.561 175.442 176.000 0.005 0.000 1.167 335 Q CA -0.449 55.357 55.803 0.006 0.000 1.038 335 Q CB 0.768 29.513 28.738 0.011 0.000 1.409 335 Q HN 0.419 nan 8.270 nan 0.000 0.448 336 V N 1.047 120.960 119.914 -0.002 0.000 3.032 336 V HA -0.120 4.000 4.120 -0.000 0.000 0.307 336 V C 1.596 177.684 176.094 -0.010 0.000 1.097 336 V CA 0.809 63.106 62.300 -0.007 0.000 1.191 336 V CB 0.428 32.242 31.823 -0.016 0.000 0.964 336 V HN 0.756 nan 8.190 nan 0.000 0.494 337 A N 3.810 126.625 122.820 -0.009 0.000 2.827 337 A HA -0.345 3.975 4.320 -0.000 0.000 0.215 337 A C 2.013 179.585 177.584 -0.021 0.000 1.127 337 A CA 2.750 54.779 52.037 -0.012 0.000 1.064 337 A CB -1.277 17.713 19.000 -0.015 0.000 0.693 337 A HN 1.022 nan 8.150 nan 0.000 0.535 338 N N -1.225 117.455 118.700 -0.034 0.000 2.171 338 N HA 0.227 4.967 4.740 -0.000 0.000 0.184 338 N C 0.739 176.223 175.510 -0.042 0.000 1.021 338 N CA 1.089 54.116 53.050 -0.039 0.000 0.854 338 N CB -0.001 38.454 38.487 -0.054 0.000 0.994 338 N HN 1.345 nan 8.380 nan 0.000 0.426 339 G N 0.478 109.245 108.800 -0.055 0.000 2.662 339 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.686 339 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.686 339 G C -0.752 174.103 174.900 -0.074 0.000 1.271 339 G CA -0.264 44.807 45.100 -0.049 0.000 0.816 339 G HN 0.340 nan 8.290 nan 0.000 0.608 340 K N 0.258 120.630 120.400 -0.046 0.000 2.642 340 K HA 0.240 4.560 4.320 -0.000 0.000 0.229 340 K C 0.007 176.647 176.600 0.068 0.000 1.576 340 K CA -0.477 55.792 56.287 -0.031 0.000 0.768 340 K CB 0.230 32.620 32.500 -0.184 0.000 1.363 340 K HN 0.835 nan 8.250 nan 0.000 0.443 341 V N 3.406 123.348 119.914 0.047 0.000 2.509 341 V HA -0.009 4.111 4.120 -0.000 0.000 0.297 341 V C 1.019 177.155 176.094 0.070 0.000 1.014 341 V CA 0.284 62.615 62.300 0.053 0.000 1.127 341 V CB 0.145 31.983 31.823 0.026 0.000 0.925 341 V HN 0.383 nan 8.190 nan 0.000 0.480 342 V N 2.514 122.470 119.914 0.070 0.000 3.707 342 V HA 0.910 5.030 4.120 -0.000 0.000 0.293 342 V C 0.120 176.223 176.094 0.014 0.000 1.307 342 V CA -0.129 62.197 62.300 0.045 0.000 0.971 342 V CB 1.837 33.678 31.823 0.031 0.000 1.263 342 V HN 0.820 nan 8.190 nan 0.000 0.473 343 S N -2.004 113.693 115.700 -0.005 0.000 2.648 343 S HA 0.425 4.895 4.470 -0.000 0.000 0.305 343 S C 0.796 175.385 174.600 -0.019 0.000 1.094 343 S CA 0.249 58.443 58.200 -0.011 0.000 0.983 343 S CB 1.100 64.292 63.200 -0.013 0.000 1.101 343 S HN 0.845 nan 8.310 nan 0.000 0.514 344 T N 1.721 116.265 114.554 -0.017 0.000 2.624 344 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 344 T C 1.668 176.354 174.700 -0.023 0.000 1.041 344 T CA 2.169 64.258 62.100 -0.018 0.000 1.159 344 T CB -0.703 68.157 68.868 -0.014 0.000 0.863 344 T HN 0.593 nan 8.240 nan 0.000 0.434 345 I N 0.525 121.080 120.570 -0.025 0.000 2.202 345 I HA -0.129 4.041 4.170 -0.000 0.000 0.242 345 I C 2.776 178.866 176.117 -0.046 0.000 1.091 345 I CA 1.297 62.578 61.300 -0.032 0.000 1.368 345 I CB -0.424 37.559 38.000 -0.029 0.000 1.058 345 I HN 0.195 nan 8.210 nan 0.000 0.410 346 E N 1.417 121.587 120.200 -0.051 0.000 2.130 346 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 346 E C 1.985 178.521 176.600 -0.107 0.000 0.998 346 E CA 1.496 57.849 56.400 -0.079 0.000 0.806 346 E CB -0.314 29.343 29.700 -0.072 0.000 0.738 346 E HN 0.311 nan 8.360 nan 0.000 0.459 347 L N 0.001 121.177 121.223 -0.079 0.000 2.072 347 L HA -0.071 4.269 4.340 -0.000 0.000 0.205 347 L C 2.175 179.005 176.870 -0.067 0.000 1.079 347 L CA 2.092 56.885 54.840 -0.077 0.000 0.752 347 L CB -0.887 41.150 42.059 -0.037 0.000 0.906 347 L HN 0.131 nan 8.230 nan 0.000 0.436 348 T N -0.512 114.012 114.554 -0.049 0.000 2.803 348 T HA -0.180 4.169 4.350 -0.000 0.000 0.269 348 T C 1.336 176.006 174.700 -0.049 0.000 1.052 348 T CA 1.663 63.740 62.100 -0.039 0.000 1.136 348 T CB -0.392 68.458 68.868 -0.031 0.000 0.864 348 T HN 0.399 nan 8.240 nan 0.000 0.467 349 D N 0.717 121.078 120.400 -0.066 0.000 2.084 349 D HA -0.020 4.620 4.640 -0.000 0.000 0.196 349 D C 2.452 178.701 176.300 -0.085 0.000 0.985 349 D CA 0.677 54.634 54.000 -0.072 0.000 0.826 349 D CB -0.110 40.641 40.800 -0.082 0.000 0.978 349 D HN 0.093 nan 8.370 nan 0.000 0.456 350 R N 0.337 120.762 120.500 -0.126 0.000 2.117 350 R HA -0.098 4.242 4.340 -0.000 0.000 0.243 350 R C 2.427 178.684 176.300 -0.072 0.000 1.143 350 R CA 0.538 56.553 56.100 -0.142 0.000 0.968 350 R CB -0.932 29.225 30.300 -0.238 0.000 0.863 350 R HN 0.328 nan 8.270 nan 0.000 0.444 351 L N 0.311 121.501 121.223 -0.055 0.000 2.093 351 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 351 L C 2.315 179.171 176.870 -0.022 0.000 1.085 351 L CA 1.026 55.849 54.840 -0.028 0.000 0.755 351 L CB -0.238 41.808 42.059 -0.022 0.000 0.904 351 L HN 0.112 nan 8.230 nan 0.000 0.435 352 I N -0.917 119.636 120.570 -0.029 0.000 2.928 352 I HA -0.195 3.975 4.170 -0.000 0.000 0.266 352 I C 2.204 178.307 176.117 -0.023 0.000 1.234 352 I CA 0.699 61.985 61.300 -0.022 0.000 1.483 352 I CB -0.145 37.840 38.000 -0.026 0.000 1.097 352 I HN 0.321 nan 8.210 nan 0.000 0.455 353 E N 1.121 121.303 120.200 -0.031 0.000 2.016 353 E HA -0.170 4.180 4.350 -0.000 0.000 0.190 353 E C 2.158 178.751 176.600 -0.012 0.000 0.985 353 E CA 0.902 57.287 56.400 -0.026 0.000 0.802 353 E CB 0.200 29.877 29.700 -0.039 0.000 0.762 353 E HN 0.245 nan 8.360 nan 0.000 0.448 354 K N 0.684 121.080 120.400 -0.007 0.000 2.044 354 K HA -0.151 4.169 4.320 -0.000 0.000 0.210 354 K C 2.124 178.726 176.600 0.003 0.000 1.049 354 K CA 0.931 57.221 56.287 0.004 0.000 0.927 354 K CB -0.571 31.936 32.500 0.011 0.000 0.713 354 K HN 0.242 nan 8.250 nan 0.000 0.443 355 L N 0.853 122.077 121.223 0.001 0.000 2.651 355 L HA -0.155 4.185 4.340 -0.000 0.000 0.236 355 L C 1.117 177.986 176.870 -0.001 0.000 1.173 355 L CA 0.902 55.743 54.840 0.002 0.000 0.843 355 L CB -0.477 41.583 42.059 0.001 0.000 0.964 355 L HN 0.318 nan 8.230 nan 0.000 0.454 356 N N -0.949 117.749 118.700 -0.004 0.000 2.129 356 N HA 0.098 4.838 4.740 -0.000 0.000 0.222 356 N C -0.427 175.081 175.510 -0.004 0.000 1.303 356 N CA -0.077 52.969 53.050 -0.006 0.000 0.897 356 N CB 0.799 39.280 38.487 -0.009 0.000 1.093 356 N HN 0.427 nan 8.380 nan 0.000 0.501 357 N N 0.000 118.699 118.700 -0.001 0.000 1.763 357 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 357 N CA 0.000 53.050 53.050 0.001 0.000 0.885 357 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 357 N HN 0.000 nan 8.380 nan 0.000 0.667