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 1vrp_1_B DATA FIRST_RESID 8 DATA SEQUENCE NKWKLNYSAA EEFPDLSKHN NHMAKALTLD IYKKLRDKET PSGFTLDDII DATA SEQUENCE QTGVDNPGHP FIMTVGCVAG DEECYEVFKD LFDPVIEDRH GGYKPTDKHK DATA SEQUENCE TDLNQENLKG GDDLDPNYVL SSRVRTGRSI KGIALPPHCS RGERRLVEKL DATA SEQUENCE CIDGLATLTG EFQGKYYPLS SMSDAEQQQL IDDHFLFDKP ISPLLLASGM DATA SEQUENCE ARDWPDGRGI WHNNDKTFLV WVNEEDHLRV ISMQKGGNMK EVFRRFCVGL DATA SEQUENCE KKIEDIFVKA GRGFMWNEHL GYVLTCPSNL GTGLRGGVHV KIPHLCKHEK DATA SEQUENCE FSEVLKRTRL QKRGTGGVDT AAVGSIYDIS NADRLGFSEV EQVQMVVDGV DATA SEQUENCE KLMVEMEKRL ENGKSIDDLM PAQK 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 8 N HA 0.000 nan 4.740 nan 0.000 0.220 8 N C 0.000 175.587 175.510 0.128 0.000 1.280 8 N CA 0.000 53.111 53.050 0.102 0.000 0.885 8 N CB 0.000 38.525 38.487 0.063 0.000 1.341 9 K N 1.048 121.530 120.400 0.138 0.000 2.147 9 K HA -0.130 4.190 4.320 0.001 0.000 0.205 9 K C 1.592 178.302 176.600 0.184 0.000 1.049 9 K CA 1.257 57.623 56.287 0.133 0.000 0.936 9 K CB 0.030 32.607 32.500 0.127 0.000 0.722 9 K HN 0.345 nan 8.250 nan 0.000 0.446 10 W N 1.929 123.263 121.300 0.056 0.000 2.409 10 W HA -0.117 4.543 4.660 0.001 0.000 0.299 10 W C 1.070 177.675 176.519 0.143 0.000 1.203 10 W CA 1.167 58.561 57.345 0.082 0.000 1.298 10 W CB 0.078 29.584 29.460 0.077 0.000 1.127 10 W HN 0.004 nan 8.180 nan 0.000 0.528 11 K N 0.484 121.067 120.400 0.305 0.000 2.365 11 K HA -0.154 4.167 4.320 0.001 0.000 0.199 11 K C 1.775 178.489 176.600 0.191 0.000 1.045 11 K CA 0.583 57.032 56.287 0.269 0.000 0.962 11 K CB -0.475 32.157 32.500 0.220 0.000 0.759 11 K HN 0.074 nan 8.250 nan 0.000 0.469 12 L N 1.727 123.006 121.223 0.094 0.000 2.450 12 L HA -0.123 4.218 4.340 0.001 0.000 0.224 12 L C 1.458 178.295 176.870 -0.055 0.000 1.149 12 L CA 1.310 56.168 54.840 0.031 0.000 0.816 12 L CB -0.521 41.548 42.059 0.017 0.000 0.932 12 L HN 0.122 nan 8.230 nan 0.000 0.449 13 N N -2.102 116.506 118.700 -0.152 0.000 2.512 13 N HA -0.085 4.656 4.740 0.001 0.000 0.183 13 N C -0.574 174.577 175.510 -0.598 0.000 1.073 13 N CA 0.429 53.230 53.050 -0.416 0.000 0.911 13 N CB 0.092 38.181 38.487 -0.662 0.000 0.964 13 N HN 0.333 nan 8.380 nan 0.000 0.447 14 Y N -0.662 119.587 120.300 -0.084 0.000 2.509 14 Y HA 0.363 4.914 4.550 0.001 0.000 0.341 14 Y C 0.584 176.486 175.900 0.003 0.000 1.038 14 Y CA -1.355 56.723 58.100 -0.036 0.000 1.089 14 Y CB 1.363 39.812 38.460 -0.017 0.000 1.241 14 Y HN -0.142 nan 8.280 nan 0.000 0.468 15 S N 0.509 116.298 115.700 0.148 0.000 2.614 15 S HA 0.468 4.939 4.470 0.001 0.000 0.265 15 S C 1.193 175.893 174.600 0.168 0.000 1.303 15 S CA -0.237 58.029 58.200 0.110 0.000 1.000 15 S CB 1.313 64.555 63.200 0.069 0.000 0.935 15 S HN 0.906 nan 8.310 nan 0.000 0.551 16 A N 1.716 124.632 122.820 0.160 0.000 1.908 16 A HA 0.063 4.383 4.320 0.001 0.000 0.218 16 A C 2.416 180.143 177.584 0.240 0.000 1.181 16 A CA 2.062 54.263 52.037 0.272 0.000 0.627 16 A CB -1.756 17.367 19.000 0.206 0.000 0.818 16 A HN 1.410 nan 8.150 nan 0.000 0.445 17 A N -0.332 122.560 122.820 0.119 0.000 1.933 17 A HA -0.165 4.156 4.320 0.001 0.000 0.218 17 A C 1.893 179.539 177.584 0.103 0.000 1.175 17 A CA 1.601 53.685 52.037 0.078 0.000 0.628 17 A CB -0.502 18.514 19.000 0.028 0.000 0.814 17 A HN 0.660 nan 8.150 nan 0.000 0.444 18 E N -0.511 119.758 120.200 0.114 0.000 2.204 18 E HA -0.130 4.221 4.350 0.001 0.000 0.194 18 E C 1.425 178.064 176.600 0.065 0.000 0.989 18 E CA 0.982 57.443 56.400 0.101 0.000 0.824 18 E CB -0.002 29.800 29.700 0.170 0.000 0.756 18 E HN 0.540 nan 8.360 nan 0.000 0.477 19 E N -0.041 120.226 120.200 0.110 0.000 2.415 19 E HA 0.010 4.361 4.350 0.001 0.000 0.197 19 E C 0.027 176.540 176.600 -0.145 0.000 1.007 19 E CA -0.152 56.286 56.400 0.064 0.000 0.890 19 E CB 0.012 29.873 29.700 0.269 0.000 0.891 19 E HN 0.092 nan 8.360 nan 0.000 0.496 20 F N 4.849 124.585 119.950 -0.356 0.000 2.571 20 F HA 0.082 4.609 4.527 0.001 0.000 0.384 20 F C -1.710 173.844 175.800 -0.411 0.000 1.058 20 F CA -2.385 55.235 58.000 -0.633 0.000 1.200 20 F CB 0.400 39.167 39.000 -0.388 0.000 1.077 20 F HN -0.143 nan 8.300 nan 0.000 0.558 21 P HA -0.020 nan 4.420 nan 0.000 0.269 21 P C -0.945 175.960 177.300 -0.658 0.000 1.209 21 P CA -0.235 62.436 63.100 -0.715 0.000 0.776 21 P CB 0.715 31.998 31.700 -0.695 0.000 0.876 22 D N 2.609 122.782 120.400 -0.379 0.000 2.393 22 D HA 0.113 4.753 4.640 0.001 0.000 0.232 22 D C 0.357 176.455 176.300 -0.336 0.000 1.192 22 D CA -0.157 53.696 54.000 -0.245 0.000 0.882 22 D CB -0.082 40.647 40.800 -0.118 0.000 1.038 22 D HN 0.266 nan 8.370 nan 0.000 0.499 23 L N 2.860 123.876 121.223 -0.345 0.000 2.872 23 L HA 0.105 4.445 4.340 0.001 0.000 0.245 23 L C 1.972 178.816 176.870 -0.043 0.000 1.211 23 L CA -0.300 54.295 54.840 -0.408 0.000 1.013 23 L CB 0.132 41.940 42.059 -0.417 0.000 1.326 23 L HN 0.195 nan 8.230 nan 0.000 0.525 24 S N 0.763 116.467 115.700 0.006 0.000 2.374 24 S HA -0.175 4.295 4.470 0.001 0.000 0.227 24 S C 1.472 176.120 174.600 0.081 0.000 1.037 24 S CA 1.564 59.793 58.200 0.047 0.000 1.024 24 S CB -0.093 63.126 63.200 0.032 0.000 0.861 24 S HN 0.480 nan 8.310 nan 0.000 0.456 25 K N 0.665 121.151 120.400 0.142 0.000 2.498 25 K HA 0.216 4.536 4.320 0.001 0.000 0.207 25 K C -0.807 175.821 176.600 0.048 0.000 1.033 25 K CA -0.086 56.246 56.287 0.075 0.000 1.138 25 K CB 0.338 32.850 32.500 0.019 0.000 0.860 25 K HN 0.338 nan 8.250 nan 0.000 0.490 26 H N 0.582 119.628 119.070 -0.041 0.000 2.467 26 H HA 0.255 4.811 4.556 0.001 0.000 0.331 26 H C -0.525 174.779 175.328 -0.040 0.000 1.120 26 H CA -0.585 55.436 56.048 -0.046 0.000 1.270 26 H CB 1.001 30.727 29.762 -0.059 0.000 1.466 26 H HN -0.063 nan 8.280 nan 0.000 0.504 27 N N 2.242 120.947 118.700 0.009 0.000 2.399 27 N HA 0.293 5.034 4.740 0.001 0.000 0.280 27 N C -1.673 173.818 175.510 -0.032 0.000 1.008 27 N CA -0.763 52.276 53.050 -0.018 0.000 0.894 27 N CB 0.560 39.019 38.487 -0.047 0.000 1.273 27 N HN 0.908 nan 8.380 nan 0.000 0.486 28 N N -0.140 118.527 118.700 -0.055 0.000 4.455 28 N HA 0.061 4.801 4.740 0.001 0.000 0.204 28 N C -0.454 175.006 175.510 -0.083 0.000 1.182 28 N CA -0.553 52.432 53.050 -0.109 0.000 0.916 28 N CB 0.173 38.652 38.487 -0.014 0.000 1.543 28 N HN 0.382 nan 8.380 nan 0.000 0.536 29 H N -0.203 118.899 119.070 0.054 0.000 2.387 29 H HA -0.088 4.469 4.556 0.001 0.000 0.299 29 H C 1.673 177.037 175.328 0.060 0.000 1.099 29 H CA 2.033 58.118 56.048 0.060 0.000 1.315 29 H CB 0.080 29.885 29.762 0.072 0.000 1.380 29 H HN 0.516 nan 8.280 nan 0.000 0.513 30 M N 0.929 120.623 119.600 0.156 0.000 2.080 30 M HA -0.161 4.319 4.480 0.001 0.000 0.260 30 M C 2.361 178.689 176.300 0.047 0.000 1.068 30 M CA 1.929 57.279 55.300 0.082 0.000 1.109 30 M CB -0.627 31.997 32.600 0.039 0.000 1.342 30 M HN 0.352 nan 8.290 nan 0.000 0.405 31 A N 0.263 123.104 122.820 0.035 0.000 1.969 31 A HA -0.179 4.142 4.320 0.001 0.000 0.218 31 A C 2.102 179.714 177.584 0.048 0.000 1.169 31 A CA 1.742 53.785 52.037 0.011 0.000 0.635 31 A CB -0.535 18.479 19.000 0.024 0.000 0.810 31 A HN 0.647 nan 8.150 nan 0.000 0.445 32 K N -0.387 120.056 120.400 0.072 0.000 2.148 32 K HA 0.019 4.340 4.320 0.001 0.000 0.204 32 K C 2.112 178.764 176.600 0.088 0.000 1.050 32 K CA 1.106 57.443 56.287 0.083 0.000 0.942 32 K CB -0.187 32.378 32.500 0.107 0.000 0.724 32 K HN 0.444 nan 8.250 nan 0.000 0.446 33 A N 0.982 123.859 122.820 0.095 0.000 1.956 33 A HA 0.063 4.383 4.320 0.001 0.000 0.212 33 A C 0.818 178.457 177.584 0.091 0.000 1.188 33 A CA -0.148 51.943 52.037 0.090 0.000 0.675 33 A CB -0.085 18.973 19.000 0.096 0.000 0.845 33 A HN 0.199 nan 8.150 nan 0.000 0.455 34 L N 2.662 123.941 121.223 0.095 0.000 2.562 34 L HA 0.291 4.632 4.340 0.001 0.000 0.271 34 L C 0.543 177.552 176.870 0.232 0.000 1.167 34 L CA 0.794 55.720 54.840 0.143 0.000 0.917 34 L CB 0.077 42.197 42.059 0.102 0.000 1.187 34 L HN 0.451 nan 8.230 nan 0.000 0.482 35 T N 1.583 116.257 114.554 0.201 0.000 2.949 35 T HA 0.336 4.686 4.350 0.001 0.000 0.287 35 T C 0.793 175.475 174.700 -0.030 0.000 1.034 35 T CA -0.647 61.515 62.100 0.104 0.000 1.018 35 T CB 1.089 69.970 68.868 0.023 0.000 1.135 35 T HN 0.527 nan 8.240 nan 0.000 0.532 36 L N 0.769 121.717 121.223 -0.459 0.000 2.093 36 L HA 0.079 4.420 4.340 0.001 0.000 0.208 36 L C 2.149 178.918 176.870 -0.167 0.000 1.085 36 L CA 2.300 56.728 54.840 -0.686 0.000 0.755 36 L CB -1.075 40.534 42.059 -0.750 0.000 0.904 36 L HN 0.969 nan 8.230 nan 0.000 0.435 37 D N -0.498 119.839 120.400 -0.106 0.000 2.104 37 D HA -0.246 4.395 4.640 0.001 0.000 0.194 37 D C 2.105 178.416 176.300 0.019 0.000 0.994 37 D CA 2.059 56.038 54.000 -0.034 0.000 0.830 37 D CB -0.194 40.588 40.800 -0.029 0.000 0.959 37 D HN 0.486 nan 8.370 nan 0.000 0.452 38 I N -0.627 119.974 120.570 0.051 0.000 2.226 38 I HA -0.237 3.934 4.170 0.001 0.000 0.245 38 I C 2.061 178.251 176.117 0.122 0.000 1.100 38 I CA 0.926 62.275 61.300 0.083 0.000 1.374 38 I CB -0.417 37.642 38.000 0.099 0.000 1.057 38 I HN 0.134 nan 8.210 nan 0.000 0.413 39 Y N 1.886 122.231 120.300 0.076 0.000 2.145 39 Y HA -0.326 4.224 4.550 0.001 0.000 0.286 39 Y C 2.655 178.600 175.900 0.075 0.000 1.145 39 Y CA 1.975 60.148 58.100 0.123 0.000 1.148 39 Y CB -0.257 38.379 38.460 0.294 0.000 0.981 39 Y HN -0.024 nan 8.280 nan 0.000 0.507 40 K N 0.270 120.735 120.400 0.110 0.000 2.074 40 K HA -0.245 4.075 4.320 0.001 0.000 0.209 40 K C 2.006 178.583 176.600 -0.038 0.000 1.048 40 K CA 2.147 58.449 56.287 0.023 0.000 0.926 40 K CB -0.143 32.375 32.500 0.030 0.000 0.713 40 K HN 0.288 nan 8.250 nan 0.000 0.444 41 K N -0.025 120.363 120.400 -0.020 0.000 2.167 41 K HA 0.004 4.325 4.320 0.001 0.000 0.203 41 K C 1.747 178.327 176.600 -0.033 0.000 1.052 41 K CA 0.877 57.150 56.287 -0.024 0.000 0.956 41 K CB 0.188 32.682 32.500 -0.010 0.000 0.735 41 K HN 0.192 nan 8.250 nan 0.000 0.451 42 L N 0.590 121.794 121.223 -0.032 0.000 2.590 42 L HA 0.135 4.475 4.340 0.001 0.000 0.227 42 L C 2.006 178.882 176.870 0.011 0.000 1.099 42 L CA -0.030 54.831 54.840 0.034 0.000 0.872 42 L CB -0.129 42.036 42.059 0.176 0.000 1.088 42 L HN 0.119 nan 8.230 nan 0.000 0.479 43 R N 0.012 120.379 120.500 -0.222 0.000 2.200 43 R HA -0.197 4.143 4.340 0.001 0.000 0.234 43 R C 1.052 177.283 176.300 -0.116 0.000 1.127 43 R CA 1.859 57.755 56.100 -0.341 0.000 0.989 43 R CB -0.478 29.451 30.300 -0.619 0.000 0.869 43 R HN 0.175 nan 8.270 nan 0.000 0.459 44 D N 0.146 120.517 120.400 -0.049 0.000 2.349 44 D HA 0.066 4.707 4.640 0.001 0.000 0.214 44 D C -0.256 176.062 176.300 0.030 0.000 1.063 44 D CA 0.049 54.046 54.000 -0.004 0.000 0.847 44 D CB 0.398 41.192 40.800 -0.010 0.000 0.933 44 D HN 0.010 nan 8.370 nan 0.000 0.513 45 K N 0.654 121.096 120.400 0.069 0.000 2.109 45 K HA 0.438 4.758 4.320 0.001 0.000 0.243 45 K C 0.271 176.998 176.600 0.212 0.000 1.006 45 K CA -0.402 55.921 56.287 0.059 0.000 0.917 45 K CB 1.217 33.636 32.500 -0.135 0.000 1.081 45 K HN 0.296 nan 8.250 nan 0.000 0.468 46 E N -1.431 118.864 120.200 0.160 0.000 2.388 46 E HA 0.243 4.593 4.350 0.001 0.000 0.280 46 E C -1.063 175.646 176.600 0.182 0.000 1.019 46 E CA -0.826 55.721 56.400 0.244 0.000 0.806 46 E CB 1.101 30.890 29.700 0.150 0.000 1.246 46 E HN 0.542 nan 8.360 nan 0.000 0.443 47 T N -1.524 113.184 114.554 0.257 0.000 2.881 47 T HA 0.355 4.706 4.350 0.001 0.000 0.278 47 T C -1.847 172.942 174.700 0.149 0.000 0.982 47 T CA -1.655 60.561 62.100 0.192 0.000 0.989 47 T CB 1.074 70.093 68.868 0.250 0.000 1.058 47 T HN 0.266 nan 8.240 nan 0.000 0.529 48 P HA -0.082 nan 4.420 nan 0.000 0.218 48 P C 1.417 178.793 177.300 0.127 0.000 1.146 48 P CA 1.142 64.304 63.100 0.103 0.000 0.813 48 P CB -0.051 31.700 31.700 0.085 0.000 0.778 49 S N -2.862 112.936 115.700 0.164 0.000 2.575 49 S HA 0.341 4.812 4.470 0.001 0.000 0.215 49 S C 1.523 176.306 174.600 0.305 0.000 0.966 49 S CA 0.362 58.694 58.200 0.219 0.000 0.911 49 S CB -0.644 62.705 63.200 0.249 0.000 0.780 49 S HN 0.256 nan 8.310 nan 0.000 0.514 50 G N 0.395 109.335 108.800 0.233 0.000 2.159 50 G HA2 -0.229 3.732 3.960 0.001 0.000 0.227 50 G HA3 -0.229 3.732 3.960 0.001 0.000 0.227 50 G C -0.238 174.757 174.900 0.157 0.000 0.986 50 G CA -0.238 44.989 45.100 0.213 0.000 0.651 50 G HN 0.466 nan 8.290 nan 0.000 0.523 51 F N 3.022 122.902 119.950 -0.117 0.000 2.443 51 F HA 0.591 5.119 4.527 0.001 0.000 0.353 51 F C 1.218 176.979 175.800 -0.064 0.000 1.101 51 F CA 0.465 58.314 58.000 -0.252 0.000 1.226 51 F CB 1.225 40.054 39.000 -0.283 0.000 1.140 51 F HN 0.297 nan 8.300 nan 0.000 0.557 52 T N 2.818 117.087 114.554 -0.474 0.000 2.927 52 T HA 0.324 4.675 4.350 0.001 0.000 0.286 52 T C 0.696 174.899 174.700 -0.828 0.000 1.040 52 T CA -0.840 61.020 62.100 -0.400 0.000 1.010 52 T CB 1.260 69.984 68.868 -0.240 0.000 1.177 52 T HN 0.540 nan 8.240 nan 0.000 0.546 53 L N 0.696 121.460 121.223 -0.764 0.000 2.042 53 L HA 0.002 4.342 4.340 0.001 0.000 0.210 53 L C 1.927 178.522 176.870 -0.458 0.000 1.076 53 L CA 2.052 56.438 54.840 -0.757 0.000 0.749 53 L CB -1.122 40.698 42.059 -0.397 0.000 0.893 53 L HN 0.734 nan 8.230 nan 0.000 0.432 54 D N -0.241 119.972 120.400 -0.312 0.000 2.123 54 D HA -0.182 4.458 4.640 0.001 0.000 0.196 54 D C 1.790 177.905 176.300 -0.309 0.000 0.992 54 D CA 1.415 55.297 54.000 -0.196 0.000 0.833 54 D CB -0.171 40.567 40.800 -0.104 0.000 0.954 54 D HN 0.450 nan 8.370 nan 0.000 0.455 55 D N 0.383 120.462 120.400 -0.534 0.000 2.097 55 D HA -0.099 4.541 4.640 0.001 0.000 0.195 55 D C 2.390 178.358 176.300 -0.553 0.000 0.989 55 D CA 0.411 53.986 54.000 -0.707 0.000 0.827 55 D CB -0.236 39.613 40.800 -1.584 0.000 0.966 55 D HN 0.273 nan 8.370 nan 0.000 0.456 56 I N 1.516 121.716 120.570 -0.617 0.000 2.127 56 I HA -0.248 3.923 4.170 0.001 0.000 0.241 56 I C 2.489 178.528 176.117 -0.131 0.000 1.075 56 I CA 1.118 62.284 61.300 -0.224 0.000 1.334 56 I CB -0.307 37.468 38.000 -0.375 0.000 1.040 56 I HN 0.052 nan 8.210 nan 0.000 0.405 57 I N -1.793 118.663 120.570 -0.191 0.000 3.578 57 I HA -0.081 4.090 4.170 0.001 0.000 0.295 57 I C 2.266 178.331 176.117 -0.086 0.000 1.280 57 I CA 0.500 61.728 61.300 -0.120 0.000 1.347 57 I CB -0.300 37.620 38.000 -0.133 0.000 1.051 57 I HN 0.162 nan 8.210 nan 0.000 0.460 58 Q N 1.766 121.512 119.800 -0.090 0.000 2.133 58 Q HA -0.253 4.087 4.340 0.001 0.000 0.208 58 Q C 2.324 178.313 176.000 -0.018 0.000 0.991 58 Q CA 3.001 58.768 55.803 -0.060 0.000 0.867 58 Q CB -0.784 27.921 28.738 -0.056 0.000 0.911 58 Q HN 0.567 nan 8.270 nan 0.000 0.417 59 T N -1.705 112.857 114.554 0.014 0.000 2.867 59 T HA -0.061 4.289 4.350 0.001 0.000 0.268 59 T C 1.466 176.192 174.700 0.044 0.000 1.057 59 T CA 1.386 63.509 62.100 0.038 0.000 1.136 59 T CB -0.506 68.401 68.868 0.065 0.000 0.874 59 T HN 0.518 nan 8.240 nan 0.000 0.466 60 G N -0.027 108.794 108.800 0.034 0.000 2.511 60 G HA2 0.005 3.965 3.960 0.001 0.000 0.217 60 G HA3 0.005 3.965 3.960 0.001 0.000 0.217 60 G C 1.545 176.493 174.900 0.080 0.000 1.133 60 G CA 0.708 45.841 45.100 0.055 0.000 0.792 60 G HN 0.503 nan 8.290 nan 0.000 0.539 61 V N 0.983 120.898 119.914 0.000 0.000 2.535 61 V HA -0.037 4.083 4.120 0.001 0.000 0.246 61 V C 2.262 178.438 176.094 0.137 0.000 1.045 61 V CA 1.648 63.925 62.300 -0.039 0.000 1.058 61 V CB -0.071 31.663 31.823 -0.149 0.000 0.689 61 V HN 0.190 nan 8.190 nan 0.000 0.461 62 D N 0.206 120.646 120.400 0.066 0.000 2.194 62 D HA -0.029 4.612 4.640 0.001 0.000 0.204 62 D C 0.734 177.054 176.300 0.033 0.000 0.964 62 D CA 0.836 54.865 54.000 0.047 0.000 0.846 62 D CB -0.152 40.658 40.800 0.017 0.000 0.962 62 D HN 0.372 nan 8.370 nan 0.000 0.490 63 N N 1.606 120.330 118.700 0.040 0.000 2.816 63 N HA 0.125 4.866 4.740 0.001 0.000 0.236 63 N C -1.921 173.563 175.510 -0.044 0.000 1.076 63 N CA -1.040 52.007 53.050 -0.005 0.000 0.902 63 N CB 1.950 40.456 38.487 0.031 0.000 1.149 63 N HN 0.080 nan 8.380 nan 0.000 0.506 64 P HA -0.011 nan 4.420 nan 0.000 0.226 64 P C 0.562 177.725 177.300 -0.229 0.000 1.153 64 P CA 0.814 63.602 63.100 -0.519 0.000 0.777 64 P CB 0.819 31.935 31.700 -0.973 0.000 0.794 65 G N -1.822 106.895 108.800 -0.138 0.000 2.749 65 G HA2 0.437 4.398 3.960 0.001 0.000 0.300 65 G HA3 0.437 4.398 3.960 0.001 0.000 0.300 65 G C -2.059 172.842 174.900 0.002 0.000 1.352 65 G CA -0.278 44.778 45.100 -0.072 0.000 0.789 65 G HN 0.129 nan 8.290 nan 0.000 0.509 66 H N 0.206 119.213 119.070 -0.105 0.000 3.029 66 H HA 0.344 4.900 4.556 0.001 0.000 0.358 66 H C -1.695 173.528 175.328 -0.175 0.000 1.129 66 H CA -1.123 54.863 56.048 -0.103 0.000 1.230 66 H CB 2.988 32.725 29.762 -0.041 0.000 1.827 66 H HN 0.369 nan 8.280 nan 0.000 0.530 67 P HA -0.070 nan 4.420 nan 0.000 0.219 67 P C 0.463 177.319 177.300 -0.739 0.000 1.146 67 P CA 1.103 63.773 63.100 -0.716 0.000 0.808 67 P CB 0.205 31.300 31.700 -1.008 0.000 0.779 68 F N -0.502 119.606 119.950 0.264 0.000 2.789 68 F HA 0.352 4.880 4.527 0.001 0.000 0.320 68 F C 1.347 177.266 175.800 0.199 0.000 1.079 68 F CA -0.565 57.577 58.000 0.237 0.000 1.205 68 F CB 0.297 39.428 39.000 0.218 0.000 1.046 68 F HN -0.147 nan 8.300 nan 0.000 0.586 69 I N -2.843 117.940 120.570 0.355 0.000 3.181 69 I HA 0.567 4.738 4.170 0.001 0.000 0.311 69 I C -0.992 175.120 176.117 -0.007 0.000 1.287 69 I CA -1.572 59.778 61.300 0.082 0.000 0.958 69 I CB 2.001 39.974 38.000 -0.046 0.000 1.294 69 I HN -0.140 nan 8.210 nan 0.000 0.467 70 M N 3.856 123.437 119.600 -0.032 0.000 2.120 70 M HA 0.406 4.886 4.480 0.001 0.000 0.354 70 M C -0.162 176.079 176.300 -0.098 0.000 1.287 70 M CA 0.284 55.537 55.300 -0.079 0.000 1.103 70 M CB 0.400 32.950 32.600 -0.083 0.000 1.623 70 M HN 0.799 nan 8.290 nan 0.000 0.471 71 T N 1.725 116.212 114.554 -0.112 0.000 2.944 71 T HA 0.536 4.886 4.350 0.001 0.000 0.284 71 T C 0.864 175.564 174.700 0.000 0.000 1.010 71 T CA -1.055 61.014 62.100 -0.051 0.000 1.025 71 T CB 1.138 69.992 68.868 -0.024 0.000 1.079 71 T HN 0.441 nan 8.240 nan 0.000 0.516 72 V N 1.162 121.158 119.914 0.136 0.000 2.407 72 V HA 0.227 4.348 4.120 0.001 0.000 0.245 72 V C 2.389 178.584 176.094 0.167 0.000 1.041 72 V CA 1.663 64.114 62.300 0.252 0.000 1.040 72 V CB -1.428 30.541 31.823 0.243 0.000 0.671 72 V HN 1.403 nan 8.190 nan 0.000 0.455 73 G N 0.120 108.991 108.800 0.118 0.000 2.148 73 G HA2 -0.281 3.680 3.960 0.001 0.000 0.254 73 G HA3 -0.281 3.680 3.960 0.001 0.000 0.254 73 G C 0.183 175.137 174.900 0.089 0.000 0.981 73 G CA 0.362 45.517 45.100 0.092 0.000 0.670 73 G HN 1.034 nan 8.290 nan 0.000 0.528 74 C N -1.853 117.529 119.300 0.136 0.000 3.291 74 C HA 0.986 5.447 4.460 0.001 0.000 0.316 74 C C 0.053 175.186 174.990 0.238 0.000 1.391 74 C CA -0.574 58.529 59.018 0.143 0.000 1.394 74 C CB 1.729 29.524 27.740 0.090 0.000 1.744 74 C HN 1.861 nan 8.230 nan 0.000 0.461 75 V N -2.208 117.872 119.914 0.276 0.000 3.216 75 V HA 0.982 5.103 4.120 0.001 0.000 0.302 75 V C -0.350 175.938 176.094 0.323 0.000 1.286 75 V CA -0.162 62.298 62.300 0.267 0.000 1.048 75 V CB 1.159 33.095 31.823 0.188 0.000 1.081 75 V HN 2.232 nan 8.190 nan 0.000 0.442 76 A N 0.974 123.825 122.820 0.051 0.000 2.305 76 A HA 0.824 5.144 4.320 0.001 0.000 0.322 76 A C 0.975 178.373 177.584 -0.310 0.000 1.187 76 A CA -0.016 51.929 52.037 -0.152 0.000 0.825 76 A CB 1.311 19.892 19.000 -0.697 0.000 1.164 76 A HN 2.036 nan 8.150 nan 0.000 0.498 77 G N 0.640 108.941 108.800 -0.833 0.000 2.744 77 G HA2 0.383 4.343 3.960 0.001 0.000 0.211 77 G HA3 0.383 4.343 3.960 0.001 0.000 0.211 77 G C 0.043 174.606 174.900 -0.561 0.000 1.146 77 G CA 0.858 45.118 45.100 -1.400 0.000 0.787 77 G HN 0.925 nan 8.290 nan 0.000 0.534 78 D N -3.151 117.058 120.400 -0.318 0.000 2.713 78 D HA 0.170 4.811 4.640 0.001 0.000 0.306 78 D C 0.649 176.941 176.300 -0.014 0.000 1.299 78 D CA -0.726 53.223 54.000 -0.086 0.000 0.823 78 D CB 0.649 41.447 40.800 -0.003 0.000 1.353 78 D HN -0.145 nan 8.370 nan 0.000 0.447 79 E N -0.584 119.651 120.200 0.058 0.000 2.051 79 E HA -0.202 4.149 4.350 0.001 0.000 0.192 79 E C 1.377 178.054 176.600 0.128 0.000 0.991 79 E CA 1.390 57.855 56.400 0.108 0.000 0.799 79 E CB 0.105 29.869 29.700 0.107 0.000 0.748 79 E HN 0.533 nan 8.360 nan 0.000 0.449 80 E N 0.182 120.448 120.200 0.110 0.000 2.409 80 E HA -0.158 4.193 4.350 0.001 0.000 0.198 80 E C 2.106 178.805 176.600 0.164 0.000 1.024 80 E CA 0.518 56.990 56.400 0.119 0.000 0.861 80 E CB -0.710 29.048 29.700 0.096 0.000 0.788 80 E HN 0.335 nan 8.360 nan 0.000 0.521 81 C N 0.745 120.154 119.300 0.181 0.000 2.413 81 C HA -0.155 4.306 4.460 0.001 0.000 0.276 81 C C 2.320 177.526 174.990 0.359 0.000 1.248 81 C CA 0.664 59.904 59.018 0.371 0.000 1.742 81 C CB -1.406 26.465 27.740 0.218 0.000 2.017 81 C HN 0.396 nan 8.230 nan 0.000 0.481 82 Y N 0.723 121.106 120.300 0.138 0.000 2.403 82 Y HA -0.103 4.448 4.550 0.001 0.000 0.291 82 Y C 2.581 178.574 175.900 0.154 0.000 1.143 82 Y CA 1.235 59.355 58.100 0.034 0.000 1.257 82 Y CB -0.350 37.996 38.460 -0.190 0.000 0.984 82 Y HN 0.381 nan 8.280 nan 0.000 0.550 83 E N -0.830 119.509 120.200 0.230 0.000 2.099 83 E HA -0.039 4.312 4.350 0.001 0.000 0.191 83 E C 2.439 179.064 176.600 0.043 0.000 0.962 83 E CA 0.692 57.164 56.400 0.121 0.000 0.826 83 E CB -0.422 29.322 29.700 0.072 0.000 0.788 83 E HN 0.201 nan 8.360 nan 0.000 0.461 84 V N 0.612 120.501 119.914 -0.042 0.000 2.490 84 V HA -0.173 3.948 4.120 0.001 0.000 0.250 84 V C 1.312 177.066 176.094 -0.565 0.000 1.061 84 V CA 1.367 63.458 62.300 -0.348 0.000 1.064 84 V CB -0.410 31.085 31.823 -0.547 0.000 0.670 84 V HN 0.133 nan 8.190 nan 0.000 0.461 85 F N -0.519 119.515 119.950 0.140 0.000 2.837 85 F HA 0.295 4.823 4.527 0.001 0.000 0.298 85 F C 1.699 177.578 175.800 0.131 0.000 1.161 85 F CA -0.193 57.853 58.000 0.076 0.000 1.353 85 F CB -0.071 38.931 39.000 0.002 0.000 0.951 85 F HN -0.069 nan 8.300 nan 0.000 0.508 86 K N 0.797 121.331 120.400 0.224 0.000 2.089 86 K HA -0.257 4.064 4.320 0.001 0.000 0.210 86 K C 1.291 177.990 176.600 0.165 0.000 1.048 86 K CA 2.215 58.631 56.287 0.215 0.000 0.926 86 K CB -0.061 32.500 32.500 0.101 0.000 0.714 86 K HN 0.189 nan 8.250 nan 0.000 0.448 87 D N -0.019 120.443 120.400 0.104 0.000 2.221 87 D HA -0.153 4.488 4.640 0.001 0.000 0.204 87 D C 1.540 177.886 176.300 0.077 0.000 0.982 87 D CA 0.769 54.814 54.000 0.075 0.000 0.857 87 D CB 0.123 40.956 40.800 0.055 0.000 0.934 87 D HN 0.157 nan 8.370 nan 0.000 0.475 88 L N -1.336 119.923 121.223 0.060 0.000 2.286 88 L HA 0.162 4.503 4.340 0.001 0.000 0.203 88 L C 1.390 178.264 176.870 0.007 0.000 1.068 88 L CA 1.122 55.945 54.840 -0.029 0.000 0.811 88 L CB -0.376 41.568 42.059 -0.192 0.000 0.989 88 L HN -0.100 nan 8.230 nan 0.000 0.467 89 F N 0.319 120.366 119.950 0.162 0.000 2.259 89 F HA -0.062 4.465 4.527 0.001 0.000 0.298 89 F C 2.119 178.016 175.800 0.162 0.000 1.088 89 F CA 0.924 59.039 58.000 0.192 0.000 1.358 89 F CB -0.704 38.471 39.000 0.292 0.000 1.040 89 F HN 0.150 nan 8.300 nan 0.000 0.505 90 D N 0.518 121.095 120.400 0.297 0.000 2.084 90 D HA -0.132 4.509 4.640 0.001 0.000 0.194 90 D C -0.361 176.024 176.300 0.141 0.000 0.990 90 D CA 1.637 55.744 54.000 0.179 0.000 0.826 90 D CB -1.680 39.184 40.800 0.107 0.000 0.971 90 D HN 0.163 nan 8.370 nan 0.000 0.453 91 P HA -0.025 nan 4.420 nan 0.000 0.222 91 P C 1.681 179.049 177.300 0.113 0.000 1.153 91 P CA 0.616 63.775 63.100 0.098 0.000 0.798 91 P CB 0.262 32.012 31.700 0.082 0.000 0.796 92 V N 0.560 120.565 119.914 0.152 0.000 2.343 92 V HA -0.213 3.907 4.120 0.001 0.000 0.247 92 V C 2.673 178.842 176.094 0.126 0.000 1.051 92 V CA 1.575 63.970 62.300 0.158 0.000 1.036 92 V CB -0.959 31.009 31.823 0.241 0.000 0.654 92 V HN -0.002 nan 8.190 nan 0.000 0.451 93 I N -0.291 120.400 120.570 0.202 0.000 2.315 93 I HA -0.233 3.938 4.170 0.001 0.000 0.248 93 I C 2.567 178.807 176.117 0.206 0.000 1.117 93 I CA 1.671 63.109 61.300 0.230 0.000 1.404 93 I CB -0.220 37.900 38.000 0.200 0.000 1.071 93 I HN 0.390 nan 8.210 nan 0.000 0.419 94 E N 0.516 120.801 120.200 0.142 0.000 2.152 94 E HA -0.264 4.087 4.350 0.001 0.000 0.192 94 E C 1.697 178.342 176.600 0.075 0.000 0.983 94 E CA 1.179 57.651 56.400 0.119 0.000 0.818 94 E CB 0.123 29.869 29.700 0.076 0.000 0.758 94 E HN 0.354 nan 8.360 nan 0.000 0.467 95 D N 0.312 120.723 120.400 0.018 0.000 2.091 95 D HA -0.158 4.483 4.640 0.001 0.000 0.199 95 D C 2.094 178.262 176.300 -0.219 0.000 0.980 95 D CA 1.040 55.008 54.000 -0.053 0.000 0.831 95 D CB -0.085 40.698 40.800 -0.028 0.000 0.987 95 D HN -0.040 nan 8.370 nan 0.000 0.460 96 R N -0.204 120.026 120.500 -0.451 0.000 2.120 96 R HA -0.060 4.280 4.340 0.001 0.000 0.234 96 R C 1.639 177.749 176.300 -0.317 0.000 1.123 96 R CA 1.489 57.245 56.100 -0.573 0.000 0.975 96 R CB -0.565 29.411 30.300 -0.541 0.000 0.866 96 R HN 0.349 nan 8.270 nan 0.000 0.446 97 H N -1.432 117.612 119.070 -0.043 0.000 2.517 97 H HA 0.271 4.828 4.556 0.001 0.000 0.282 97 H C 0.892 176.275 175.328 0.092 0.000 1.023 97 H CA 0.561 56.631 56.048 0.036 0.000 1.169 97 H CB 0.887 30.674 29.762 0.042 0.000 1.454 97 H HN 0.496 nan 8.280 nan 0.000 0.556 98 G N 0.562 109.439 108.800 0.128 0.000 3.922 98 G HA2 -0.282 3.678 3.960 0.001 0.000 0.208 98 G HA3 -0.282 3.678 3.960 0.001 0.000 0.208 98 G C 1.034 176.004 174.900 0.118 0.000 1.491 98 G CA 0.010 45.185 45.100 0.126 0.000 1.017 98 G HN 0.585 nan 8.290 nan 0.000 0.603 99 G N -1.121 107.769 108.800 0.151 0.000 4.802 99 G HA2 0.421 4.382 3.960 0.001 0.000 0.238 99 G HA3 0.421 4.382 3.960 0.001 0.000 0.238 99 G C -0.129 174.830 174.900 0.098 0.000 0.974 99 G CA 0.544 45.706 45.100 0.102 0.000 0.798 99 G HN 0.944 nan 8.290 nan 0.000 0.301 100 Y N 3.290 123.614 120.300 0.039 0.000 2.677 100 Y HA 0.355 4.906 4.550 0.001 0.000 0.335 100 Y C 0.498 176.393 175.900 -0.009 0.000 1.162 100 Y CA -0.088 58.009 58.100 -0.004 0.000 1.483 100 Y CB 0.577 39.015 38.460 -0.037 0.000 1.209 100 Y HN -0.157 nan 8.280 nan 0.000 0.528 101 K N 8.468 128.628 120.400 -0.400 0.000 2.202 101 K HA 0.122 4.443 4.320 0.001 0.000 0.264 101 K C -1.637 174.773 176.600 -0.317 0.000 1.010 101 K CA -2.043 54.068 56.287 -0.292 0.000 0.940 101 K CB 0.490 32.828 32.500 -0.270 0.000 0.983 101 K HN 0.434 nan 8.250 nan 0.000 0.475 102 P HA -0.088 nan 4.420 nan 0.000 0.223 102 P C 0.684 177.801 177.300 -0.305 0.000 1.151 102 P CA 1.108 64.091 63.100 -0.195 0.000 0.787 102 P CB 0.126 31.742 31.700 -0.140 0.000 0.788 103 T N -4.791 109.643 114.554 -0.199 0.000 3.129 103 T HA 0.078 4.429 4.350 0.001 0.000 0.251 103 T C 0.560 175.272 174.700 0.020 0.000 1.117 103 T CA -0.234 61.822 62.100 -0.072 0.000 1.034 103 T CB -0.450 68.385 68.868 -0.054 0.000 0.968 103 T HN -0.074 nan 8.240 nan 0.000 0.526 104 D N 2.283 122.583 120.400 -0.166 0.000 2.329 104 D HA 0.337 4.978 4.640 0.001 0.000 0.246 104 D C 0.067 176.421 176.300 0.090 0.000 1.111 104 D CA -0.124 53.725 54.000 -0.252 0.000 0.941 104 D CB 0.989 41.204 40.800 -0.976 0.000 1.169 104 D HN 0.204 nan 8.370 nan 0.000 0.441 105 K N 0.946 121.405 120.400 0.099 0.000 2.259 105 K HA 0.315 4.636 4.320 0.001 0.000 0.252 105 K C -0.430 176.296 176.600 0.210 0.000 0.936 105 K CA -0.828 55.510 56.287 0.086 0.000 0.810 105 K CB 1.498 33.967 32.500 -0.052 0.000 1.143 105 K HN 0.450 nan 8.250 nan 0.000 0.427 106 H N 1.042 120.129 119.070 0.027 0.000 2.481 106 H HA 0.359 4.916 4.556 0.001 0.000 0.339 106 H C -0.982 174.394 175.328 0.079 0.000 1.131 106 H CA -0.001 56.041 56.048 -0.010 0.000 1.301 106 H CB 0.913 30.576 29.762 -0.165 0.000 1.476 106 H HN 0.338 nan 8.280 nan 0.000 0.529 107 K N 3.266 123.277 120.400 -0.649 0.000 2.397 107 K HA 0.302 4.623 4.320 0.001 0.000 0.253 107 K C -0.851 175.467 176.600 -0.471 0.000 0.932 107 K CA -0.878 55.188 56.287 -0.369 0.000 0.795 107 K CB 2.085 34.494 32.500 -0.152 0.000 1.159 107 K HN 0.606 nan 8.250 nan 0.000 0.424 108 T N 1.093 115.556 114.554 -0.152 0.000 2.899 108 T HA 0.227 4.578 4.350 0.001 0.000 0.284 108 T C -0.717 174.014 174.700 0.052 0.000 1.004 108 T CA -0.324 61.795 62.100 0.032 0.000 1.043 108 T CB 0.729 69.678 68.868 0.135 0.000 1.013 108 T HN 0.464 nan 8.240 nan 0.000 0.518 109 D N 1.097 121.574 120.400 0.129 0.000 2.966 109 D HA 0.282 4.923 4.640 0.001 0.000 0.222 109 D C -0.174 176.238 176.300 0.187 0.000 1.292 109 D CA -0.467 53.609 54.000 0.126 0.000 0.907 109 D CB 1.622 42.506 40.800 0.140 0.000 1.621 109 D HN 0.368 nan 8.370 nan 0.000 0.557 110 L N 2.489 123.785 121.223 0.122 0.000 2.781 110 L HA 0.202 4.542 4.340 0.001 0.000 0.245 110 L C 0.720 177.572 176.870 -0.030 0.000 1.118 110 L CA -0.173 54.716 54.840 0.081 0.000 0.918 110 L CB 0.238 42.314 42.059 0.027 0.000 1.246 110 L HN 0.242 nan 8.230 nan 0.000 0.526 111 N N 1.176 119.887 118.700 0.019 0.000 2.412 111 N HA -0.068 4.672 4.740 0.001 0.000 0.279 111 N C 1.011 176.532 175.510 0.018 0.000 1.287 111 N CA 0.190 53.238 53.050 -0.003 0.000 0.948 111 N CB 0.814 39.316 38.487 0.025 0.000 1.255 111 N HN 0.134 nan 8.380 nan 0.000 0.485 112 Q N 2.445 122.184 119.800 -0.101 0.000 2.152 112 Q HA -0.219 4.121 4.340 0.001 0.000 0.206 112 Q C 1.201 177.274 176.000 0.121 0.000 0.985 112 Q CA 1.666 57.446 55.803 -0.037 0.000 0.863 112 Q CB -0.205 28.455 28.738 -0.130 0.000 0.904 112 Q HN 0.697 nan 8.270 nan 0.000 0.422 113 E N 0.794 121.033 120.200 0.065 0.000 2.187 113 E HA -0.218 4.132 4.350 0.001 0.000 0.199 113 E C 1.239 177.894 176.600 0.091 0.000 1.004 113 E CA 1.305 57.747 56.400 0.069 0.000 0.813 113 E CB -0.277 29.448 29.700 0.041 0.000 0.736 113 E HN 0.557 nan 8.360 nan 0.000 0.468 114 N N 0.233 119.000 118.700 0.111 0.000 2.550 114 N HA -0.037 4.704 4.740 0.001 0.000 0.186 114 N C -0.084 175.502 175.510 0.127 0.000 1.110 114 N CA -0.389 52.727 53.050 0.110 0.000 0.912 114 N CB 0.162 38.716 38.487 0.113 0.000 0.968 114 N HN 0.018 nan 8.380 nan 0.000 0.448 115 L N 1.887 123.215 121.223 0.174 0.000 2.319 115 L HA 0.172 4.513 4.340 0.001 0.000 0.280 115 L C -0.547 176.380 176.870 0.094 0.000 1.099 115 L CA -0.268 54.660 54.840 0.148 0.000 0.828 115 L CB 0.540 42.746 42.059 0.245 0.000 1.150 115 L HN -0.135 nan 8.230 nan 0.000 0.442 116 K N 4.804 125.236 120.400 0.053 0.000 2.227 116 K HA 0.636 4.957 4.320 0.001 0.000 0.280 116 K C 0.748 177.365 176.600 0.029 0.000 1.041 116 K CA 0.104 56.415 56.287 0.039 0.000 0.905 116 K CB 0.787 33.302 32.500 0.025 0.000 1.068 116 K HN 0.920 nan 8.250 nan 0.000 0.470 117 G N 2.001 110.821 108.800 0.033 0.000 2.581 117 G HA2 -0.179 3.782 3.960 0.001 0.000 0.291 117 G HA3 -0.179 3.782 3.960 0.001 0.000 0.291 117 G C 0.743 175.659 174.900 0.027 0.000 1.277 117 G CA 0.234 45.350 45.100 0.026 0.000 0.959 117 G HN 1.311 nan 8.290 nan 0.000 0.554 118 G N -1.661 107.147 108.800 0.014 0.000 2.157 118 G HA2 0.027 3.988 3.960 0.001 0.000 0.239 118 G HA3 0.027 3.988 3.960 0.001 0.000 0.239 118 G C 0.391 175.304 174.900 0.023 0.000 0.982 118 G CA 1.218 46.322 45.100 0.007 0.000 0.650 118 G HN 2.244 nan 8.290 nan 0.000 0.527 119 D N 0.057 120.475 120.400 0.029 0.000 2.525 119 D HA 0.347 4.987 4.640 0.001 0.000 0.229 119 D C 0.812 177.128 176.300 0.028 0.000 1.202 119 D CA 0.342 54.364 54.000 0.035 0.000 0.828 119 D CB 0.251 41.075 40.800 0.040 0.000 1.008 119 D HN 0.260 nan 8.370 nan 0.000 0.493 120 D N -0.134 120.279 120.400 0.021 0.000 2.486 120 D HA 0.045 4.685 4.640 0.001 0.000 0.243 120 D C 0.753 177.065 176.300 0.020 0.000 1.146 120 D CA -0.286 53.725 54.000 0.019 0.000 0.821 120 D CB 0.412 41.219 40.800 0.011 0.000 1.201 120 D HN 0.205 nan 8.370 nan 0.000 0.525 121 L N 2.700 123.934 121.223 0.019 0.000 2.747 121 L HA -0.077 4.264 4.340 0.001 0.000 0.286 121 L C 0.742 177.641 176.870 0.047 0.000 1.216 121 L CA 0.500 55.354 54.840 0.024 0.000 0.930 121 L CB -0.087 41.986 42.059 0.024 0.000 1.216 121 L HN -0.088 nan 8.230 nan 0.000 0.486 122 D N 6.896 127.328 120.400 0.053 0.000 2.455 122 D HA -0.009 4.632 4.640 0.001 0.000 0.265 122 D C -1.269 175.131 176.300 0.167 0.000 1.284 122 D CA -1.124 52.945 54.000 0.116 0.000 0.944 122 D CB 1.190 42.075 40.800 0.141 0.000 1.121 122 D HN 0.317 nan 8.370 nan 0.000 0.525 123 P HA -0.084 nan 4.420 nan 0.000 0.225 123 P C 0.750 178.094 177.300 0.074 0.000 1.148 123 P CA 0.617 63.766 63.100 0.082 0.000 0.779 123 P CB 0.395 32.129 31.700 0.055 0.000 0.780 124 N N -1.711 117.058 118.700 0.115 0.000 2.446 124 N HA -0.040 4.701 4.740 0.001 0.000 0.179 124 N C 1.029 176.415 175.510 -0.206 0.000 1.054 124 N CA 0.944 53.974 53.050 -0.033 0.000 0.905 124 N CB -0.103 38.361 38.487 -0.038 0.000 0.973 124 N HN 0.306 nan 8.380 nan 0.000 0.448 125 Y N -0.382 119.928 120.300 0.016 0.000 2.638 125 Y HA 0.278 4.829 4.550 0.001 0.000 0.275 125 Y C 0.697 176.613 175.900 0.026 0.000 1.122 125 Y CA -0.156 57.957 58.100 0.021 0.000 1.266 125 Y CB 0.468 38.939 38.460 0.019 0.000 1.317 125 Y HN -0.297 nan 8.280 nan 0.000 0.501 126 V N 3.334 123.362 119.914 0.191 0.000 2.353 126 V HA 0.088 4.208 4.120 0.001 0.000 0.264 126 V C 0.749 176.889 176.094 0.076 0.000 1.049 126 V CA 0.002 62.372 62.300 0.116 0.000 0.896 126 V CB 0.748 32.624 31.823 0.087 0.000 1.025 126 V HN 0.328 nan 8.190 nan 0.000 0.475 127 L N 2.895 124.160 121.223 0.069 0.000 2.446 127 L HA 0.261 4.601 4.340 0.001 0.000 0.219 127 L C 0.954 177.839 176.870 0.025 0.000 1.116 127 L CA 0.702 55.568 54.840 0.043 0.000 0.844 127 L CB 0.181 42.263 42.059 0.038 0.000 0.970 127 L HN 0.681 nan 8.230 nan 0.000 0.457 128 S N -1.402 114.307 115.700 0.014 0.000 2.552 128 S HA 0.552 5.022 4.470 0.001 0.000 0.272 128 S C -1.200 173.357 174.600 -0.073 0.000 1.150 128 S CA -0.503 57.668 58.200 -0.049 0.000 0.849 128 S CB 1.931 65.046 63.200 -0.141 0.000 1.113 128 S HN -0.022 nan 8.310 nan 0.000 0.458 129 S N 1.751 117.412 115.700 -0.064 0.000 2.526 129 S HA 0.807 5.278 4.470 0.001 0.000 0.293 129 S C -0.914 173.647 174.600 -0.064 0.000 1.092 129 S CA -0.794 57.372 58.200 -0.058 0.000 0.980 129 S CB 1.744 64.938 63.200 -0.012 0.000 1.048 129 S HN 0.766 nan 8.310 nan 0.000 0.483 130 R N 1.458 121.906 120.500 -0.086 0.000 2.604 130 R HA 0.689 5.030 4.340 0.001 0.000 0.270 130 R C -2.397 173.841 176.300 -0.103 0.000 1.052 130 R CA -0.472 55.584 56.100 -0.073 0.000 0.902 130 R CB 1.257 31.486 30.300 -0.119 0.000 1.233 130 R HN 0.476 nan 8.270 nan 0.000 0.455 131 V N 4.830 124.686 119.914 -0.095 0.000 2.569 131 V HA 0.596 4.716 4.120 0.001 0.000 0.301 131 V C -0.623 175.330 176.094 -0.234 0.000 1.044 131 V CA -0.761 61.378 62.300 -0.267 0.000 0.874 131 V CB 1.555 33.120 31.823 -0.431 0.000 1.002 131 V HN 0.764 nan 8.190 nan 0.000 0.424 132 R N 2.900 123.268 120.500 -0.219 0.000 2.867 132 R HA 0.856 5.197 4.340 0.001 0.000 0.268 132 R C -1.291 175.030 176.300 0.035 0.000 1.014 132 R CA -0.230 55.848 56.100 -0.035 0.000 0.946 132 R CB 2.554 32.759 30.300 -0.158 0.000 1.208 132 R HN 0.695 nan 8.270 nan 0.000 0.477 133 T N -0.478 114.163 114.554 0.145 0.000 2.762 133 T HA 0.684 5.035 4.350 0.001 0.000 0.301 133 T C -1.303 173.369 174.700 -0.047 0.000 1.299 133 T CA -0.210 61.946 62.100 0.093 0.000 1.005 133 T CB 1.562 70.578 68.868 0.247 0.000 1.377 133 T HN 0.786 nan 8.240 nan 0.000 0.504 134 G N 1.362 110.096 108.800 -0.110 0.000 2.533 134 G HA2 0.754 4.714 3.960 0.001 0.000 0.304 134 G HA3 0.754 4.714 3.960 0.001 0.000 0.304 134 G C -1.591 173.116 174.900 -0.321 0.000 1.263 134 G CA -0.621 44.376 45.100 -0.171 0.000 0.964 134 G HN 0.604 nan 8.290 nan 0.000 0.479 135 R N -0.121 120.130 120.500 -0.415 0.000 2.698 135 R HA 0.666 5.006 4.340 0.001 0.000 0.275 135 R C -1.071 174.987 176.300 -0.403 0.000 1.001 135 R CA -0.715 55.005 56.100 -0.633 0.000 0.896 135 R CB 2.108 31.542 30.300 -1.443 0.000 1.218 135 R HN 0.534 nan 8.270 nan 0.000 0.462 136 S N 1.800 117.377 115.700 -0.205 0.000 2.532 136 S HA 0.598 5.068 4.470 0.001 0.000 0.301 136 S C 0.232 175.028 174.600 0.328 0.000 1.083 136 S CA -0.724 57.456 58.200 -0.033 0.000 1.025 136 S CB 1.644 64.771 63.200 -0.123 0.000 1.056 136 S HN 0.373 nan 8.310 nan 0.000 0.494 137 I N 2.399 123.342 120.570 0.622 0.000 2.342 137 I HA 0.235 4.406 4.170 0.001 0.000 0.291 137 I C 0.335 176.636 176.117 0.307 0.000 1.010 137 I CA -0.638 60.919 61.300 0.428 0.000 1.308 137 I CB 0.814 38.972 38.000 0.263 0.000 1.400 137 I HN 0.420 nan 8.210 nan 0.000 0.488 138 K N 4.258 124.799 120.400 0.235 0.000 2.524 138 K HA 0.130 4.450 4.320 0.001 0.000 0.279 138 K C 1.085 177.765 176.600 0.133 0.000 0.993 138 K CA 0.861 57.250 56.287 0.169 0.000 1.030 138 K CB 0.200 32.779 32.500 0.131 0.000 0.891 138 K HN 1.008 nan 8.250 nan 0.000 0.488 139 G N 2.244 111.115 108.800 0.119 0.000 2.162 139 G HA2 -0.265 3.696 3.960 0.001 0.000 0.260 139 G HA3 -0.265 3.696 3.960 0.001 0.000 0.260 139 G C 0.015 174.969 174.900 0.090 0.000 0.976 139 G CA -0.090 45.066 45.100 0.092 0.000 0.655 139 G HN 0.546 nan 8.290 nan 0.000 0.533 140 I N 0.603 121.250 120.570 0.128 0.000 2.533 140 I HA 0.618 4.788 4.170 0.001 0.000 0.290 140 I C 0.727 176.962 176.117 0.197 0.000 1.056 140 I CA -0.847 60.520 61.300 0.113 0.000 1.057 140 I CB 1.968 39.976 38.000 0.013 0.000 1.240 140 I HN 0.242 nan 8.210 nan 0.000 0.423 141 A N 6.885 129.787 122.820 0.137 0.000 2.466 141 A HA 0.432 4.753 4.320 0.001 0.000 0.238 141 A C 0.049 177.750 177.584 0.196 0.000 1.074 141 A CA -0.060 52.053 52.037 0.126 0.000 0.774 141 A CB 0.225 19.278 19.000 0.089 0.000 1.015 141 A HN 0.686 nan 8.150 nan 0.000 0.498 142 L N 2.142 123.396 121.223 0.052 0.000 2.466 142 L HA 0.154 4.495 4.340 0.001 0.000 0.257 142 L C -1.356 175.533 176.870 0.032 0.000 1.189 142 L CA -1.592 53.230 54.840 -0.030 0.000 0.813 142 L CB 0.168 42.142 42.059 -0.141 0.000 1.118 142 L HN 0.502 nan 8.230 nan 0.000 0.471 143 P HA -0.173 nan 4.420 nan 0.000 0.218 143 P C -1.469 175.881 177.300 0.082 0.000 1.154 143 P CA 1.632 64.779 63.100 0.079 0.000 0.872 143 P CB -0.763 30.978 31.700 0.068 0.000 0.790 144 P HA -0.149 nan 4.420 nan 0.000 0.225 144 P C 1.086 178.517 177.300 0.217 0.000 1.148 144 P CA 1.736 64.918 63.100 0.136 0.000 0.779 144 P CB -0.342 31.445 31.700 0.145 0.000 0.780 145 H N -1.809 117.249 119.070 -0.019 0.000 3.622 145 H HA 0.102 4.658 4.556 0.001 0.000 0.259 145 H C 0.207 175.556 175.328 0.034 0.000 1.145 145 H CA -0.128 55.931 56.048 0.019 0.000 1.178 145 H CB 0.653 30.296 29.762 -0.198 0.000 1.542 145 H HN 0.070 nan 8.280 nan 0.000 0.586 146 C N 3.470 122.745 119.300 -0.042 0.000 2.634 146 C HA 0.369 4.829 4.460 0.001 0.000 0.417 146 C C 1.497 176.440 174.990 -0.078 0.000 1.334 146 C CA -0.190 58.796 59.018 -0.053 0.000 1.829 146 C CB -0.171 27.594 27.740 0.042 0.000 2.665 146 C HN 0.538 nan 8.230 nan 0.000 0.614 147 S N 3.302 118.951 115.700 -0.085 0.000 2.645 147 S HA 0.350 4.820 4.470 0.001 0.000 0.266 147 S C 1.054 175.639 174.600 -0.026 0.000 1.258 147 S CA -0.541 57.624 58.200 -0.060 0.000 0.990 147 S CB 0.616 63.783 63.200 -0.055 0.000 0.967 147 S HN 0.865 nan 8.310 nan 0.000 0.556 148 R N 0.633 121.125 120.500 -0.014 0.000 2.105 148 R HA -0.053 4.288 4.340 0.001 0.000 0.239 148 R C 2.489 178.782 176.300 -0.012 0.000 1.135 148 R CA 1.446 57.543 56.100 -0.006 0.000 0.967 148 R CB -1.162 29.139 30.300 0.001 0.000 0.861 148 R HN 0.878 nan 8.270 nan 0.000 0.442 149 G N 0.839 109.630 108.800 -0.014 0.000 2.422 149 G HA2 -0.258 3.703 3.960 0.001 0.000 0.218 149 G HA3 -0.258 3.703 3.960 0.001 0.000 0.218 149 G C 1.116 176.003 174.900 -0.023 0.000 1.146 149 G CA 0.534 45.625 45.100 -0.015 0.000 0.769 149 G HN 0.341 nan 8.290 nan 0.000 0.547 150 E N -0.296 119.888 120.200 -0.028 0.000 2.072 150 E HA -0.064 4.287 4.350 0.001 0.000 0.191 150 E C 2.530 179.095 176.600 -0.060 0.000 0.985 150 E CA 0.442 56.818 56.400 -0.040 0.000 0.801 150 E CB -0.095 29.586 29.700 -0.032 0.000 0.750 150 E HN 0.334 nan 8.360 nan 0.000 0.452 151 R N 1.039 121.515 120.500 -0.040 0.000 2.081 151 R HA -0.110 4.230 4.340 0.001 0.000 0.235 151 R C 2.199 178.474 176.300 -0.040 0.000 1.131 151 R CA 1.294 57.370 56.100 -0.039 0.000 0.960 151 R CB 0.052 30.344 30.300 -0.013 0.000 0.856 151 R HN 0.011 nan 8.270 nan 0.000 0.436 152 R N 0.055 120.538 120.500 -0.029 0.000 2.148 152 R HA -0.119 4.222 4.340 0.001 0.000 0.227 152 R C 2.183 178.462 176.300 -0.034 0.000 1.103 152 R CA 0.958 57.045 56.100 -0.022 0.000 0.983 152 R CB -0.289 30.003 30.300 -0.013 0.000 0.874 152 R HN 0.185 nan 8.270 nan 0.000 0.451 153 L N 0.342 121.539 121.223 -0.043 0.000 2.109 153 L HA -0.072 4.268 4.340 0.001 0.000 0.207 153 L C 1.876 178.714 176.870 -0.053 0.000 1.086 153 L CA 1.480 56.292 54.840 -0.046 0.000 0.760 153 L CB -0.208 41.825 42.059 -0.043 0.000 0.910 153 L HN -0.117 nan 8.230 nan 0.000 0.437 154 V N -0.024 119.839 119.914 -0.085 0.000 2.295 154 V HA -0.294 3.827 4.120 0.001 0.000 0.246 154 V C 2.606 178.676 176.094 -0.040 0.000 1.049 154 V CA 2.014 64.261 62.300 -0.089 0.000 1.024 154 V CB -0.630 31.072 31.823 -0.202 0.000 0.648 154 V HN 0.594 nan 8.190 nan 0.000 0.447 155 E N 0.307 120.475 120.200 -0.053 0.000 2.085 155 E HA -0.310 4.041 4.350 0.001 0.000 0.194 155 E C 2.331 178.846 176.600 -0.141 0.000 0.994 155 E CA 1.831 58.176 56.400 -0.091 0.000 0.801 155 E CB -0.125 29.557 29.700 -0.030 0.000 0.743 155 E HN 0.567 nan 8.360 nan 0.000 0.453 156 K N 0.419 120.766 120.400 -0.088 0.000 2.026 156 K HA -0.169 4.151 4.320 0.001 0.000 0.208 156 K C 2.290 178.824 176.600 -0.111 0.000 1.048 156 K CA 1.401 57.633 56.287 -0.091 0.000 0.929 156 K CB -0.161 32.302 32.500 -0.061 0.000 0.713 156 K HN 0.172 nan 8.250 nan 0.000 0.439 157 L N 0.616 121.794 121.223 -0.074 0.000 2.042 157 L HA -0.267 4.074 4.340 0.001 0.000 0.210 157 L C 2.760 179.555 176.870 -0.124 0.000 1.076 157 L CA 1.150 55.934 54.840 -0.093 0.000 0.749 157 L CB -0.545 41.552 42.059 0.064 0.000 0.893 157 L HN 0.397 nan 8.230 nan 0.000 0.432 158 C N -0.104 119.192 119.300 -0.007 0.000 2.453 158 C HA -0.117 4.344 4.460 0.001 0.000 0.277 158 C C 2.750 177.606 174.990 -0.224 0.000 1.262 158 C CA 0.318 59.326 59.018 -0.017 0.000 1.718 158 C CB -0.545 27.169 27.740 -0.045 0.000 2.031 158 C HN 0.405 nan 8.230 nan 0.000 0.480 159 I N 1.216 121.606 120.570 -0.300 0.000 2.127 159 I HA -0.233 3.937 4.170 0.001 0.000 0.241 159 I C 2.226 178.241 176.117 -0.170 0.000 1.075 159 I CA 1.742 62.881 61.300 -0.269 0.000 1.334 159 I CB -0.661 37.199 38.000 -0.233 0.000 1.040 159 I HN 0.363 nan 8.210 nan 0.000 0.405 160 D N 0.918 121.215 120.400 -0.171 0.000 2.084 160 D HA -0.135 4.505 4.640 0.001 0.000 0.194 160 D C 2.169 178.340 176.300 -0.215 0.000 0.990 160 D CA 1.743 55.645 54.000 -0.162 0.000 0.826 160 D CB -0.718 39.983 40.800 -0.165 0.000 0.971 160 D HN 0.412 nan 8.370 nan 0.000 0.453 161 G N 0.792 109.399 108.800 -0.323 0.000 2.418 161 G HA2 -0.186 3.774 3.960 0.001 0.000 0.217 161 G HA3 -0.186 3.774 3.960 0.001 0.000 0.217 161 G C 1.759 176.478 174.900 -0.302 0.000 1.158 161 G CA 0.324 45.170 45.100 -0.423 0.000 0.771 161 G HN 0.249 nan 8.290 nan 0.000 0.545 162 L N 0.563 121.594 121.223 -0.320 0.000 2.313 162 L HA 0.156 4.497 4.340 0.001 0.000 0.214 162 L C 3.178 179.898 176.870 -0.249 0.000 1.119 162 L CA 0.517 55.068 54.840 -0.481 0.000 0.809 162 L CB -0.179 41.258 42.059 -1.036 0.000 0.933 162 L HN 0.277 nan 8.230 nan 0.000 0.449 163 A N 0.123 122.878 122.820 -0.108 0.000 2.125 163 A HA -0.162 4.158 4.320 0.001 0.000 0.219 163 A C 2.261 179.870 177.584 0.041 0.000 1.156 163 A CA 1.819 53.883 52.037 0.046 0.000 0.671 163 A CB -0.738 18.274 19.000 0.020 0.000 0.794 163 A HN 0.487 nan 8.150 nan 0.000 0.459 164 T N -2.301 112.238 114.554 -0.026 0.000 3.129 164 T HA 0.390 4.740 4.350 0.001 0.000 0.251 164 T C 0.497 175.210 174.700 0.022 0.000 1.117 164 T CA -0.239 61.852 62.100 -0.015 0.000 1.034 164 T CB -0.561 68.268 68.868 -0.065 0.000 0.968 164 T HN 0.234 nan 8.240 nan 0.000 0.526 165 L N 2.518 123.783 121.223 0.069 0.000 2.453 165 L HA 0.547 4.887 4.340 0.001 0.000 0.261 165 L C 0.823 177.818 176.870 0.208 0.000 1.179 165 L CA -0.555 54.370 54.840 0.140 0.000 0.813 165 L CB 1.023 43.216 42.059 0.224 0.000 1.110 165 L HN 0.381 nan 8.230 nan 0.000 0.466 166 T N -1.918 112.768 114.554 0.221 0.000 2.812 166 T HA 0.705 5.055 4.350 0.001 0.000 0.294 166 T C 0.246 175.059 174.700 0.188 0.000 1.159 166 T CA -0.146 62.064 62.100 0.182 0.000 1.008 166 T CB 1.609 70.542 68.868 0.109 0.000 1.289 166 T HN 1.007 nan 8.240 nan 0.000 0.514 167 G N 1.197 110.062 108.800 0.109 0.000 2.596 167 G HA2 -0.383 3.578 3.960 0.001 0.000 0.304 167 G HA3 -0.383 3.578 3.960 0.001 0.000 0.304 167 G C 0.832 175.725 174.900 -0.011 0.000 1.189 167 G CA 1.013 46.141 45.100 0.046 0.000 0.986 167 G HN 1.192 nan 8.290 nan 0.000 0.548 168 E N 0.233 120.352 120.200 -0.135 0.000 2.267 168 E HA -0.006 4.344 4.350 0.001 0.000 0.197 168 E C 1.870 178.204 176.600 -0.442 0.000 0.998 168 E CA 1.379 57.562 56.400 -0.360 0.000 0.830 168 E CB -0.150 29.177 29.700 -0.622 0.000 0.751 168 E HN 0.519 nan 8.360 nan 0.000 0.491 169 F N 0.208 120.210 119.950 0.086 0.000 2.639 169 F HA 0.201 4.729 4.527 0.001 0.000 0.302 169 F C 0.627 176.635 175.800 0.347 0.000 1.097 169 F CA -0.770 57.365 58.000 0.224 0.000 1.294 169 F CB 0.453 39.541 39.000 0.146 0.000 1.027 169 F HN -0.108 nan 8.300 nan 0.000 0.550 170 Q N 1.798 121.783 119.800 0.309 0.000 2.330 170 Q HA 0.477 4.818 4.340 0.001 0.000 0.279 170 Q C 0.093 176.224 176.000 0.219 0.000 1.024 170 Q CA 0.366 56.329 55.803 0.266 0.000 0.900 170 Q CB 0.890 29.708 28.738 0.133 0.000 1.221 170 Q HN 0.404 nan 8.270 nan 0.000 0.396 171 G N 2.517 111.481 108.800 0.273 0.000 2.663 171 G HA2 0.634 4.594 3.960 0.001 0.000 0.299 171 G HA3 0.634 4.594 3.960 0.001 0.000 0.299 171 G C -1.492 173.376 174.900 -0.053 0.000 1.372 171 G CA -0.860 44.157 45.100 -0.139 0.000 0.781 171 G HN 0.514 nan 8.290 nan 0.000 0.491 172 K N -0.916 119.240 120.400 -0.407 0.000 2.443 172 K HA 0.481 4.802 4.320 0.001 0.000 0.251 172 K C -1.936 174.498 176.600 -0.278 0.000 0.972 172 K CA -0.855 55.266 56.287 -0.276 0.000 0.833 172 K CB 2.959 35.188 32.500 -0.451 0.000 1.317 172 K HN 0.486 nan 8.250 nan 0.000 0.441 173 Y N 1.373 121.532 120.300 -0.235 0.000 2.352 173 Y HA 0.373 4.924 4.550 0.001 0.000 0.339 173 Y C -1.630 174.094 175.900 -0.293 0.000 0.992 173 Y CA -0.918 57.176 58.100 -0.010 0.000 1.100 173 Y CB 0.823 39.391 38.460 0.178 0.000 1.192 173 Y HN 0.428 nan 8.280 nan 0.000 0.458 174 Y N 7.565 127.496 120.300 -0.615 0.000 2.376 174 Y HA 0.405 4.955 4.550 0.001 0.000 0.326 174 Y C -2.422 173.017 175.900 -0.768 0.000 0.970 174 Y CA -3.009 54.763 58.100 -0.547 0.000 1.248 174 Y CB 0.947 39.248 38.460 -0.265 0.000 1.117 174 Y HN 0.475 nan 8.280 nan 0.000 0.476 175 P HA 0.038 nan 4.420 nan 0.000 0.275 175 P C 0.604 177.815 177.300 -0.148 0.000 1.227 175 P CA -0.313 62.569 63.100 -0.364 0.000 0.781 175 P CB 1.842 33.453 31.700 -0.148 0.000 0.906 176 L N 2.957 124.123 121.223 -0.094 0.000 2.129 176 L HA -0.195 4.146 4.340 0.001 0.000 0.212 176 L C 2.429 179.273 176.870 -0.043 0.000 1.087 176 L CA 2.132 56.930 54.840 -0.070 0.000 0.757 176 L CB -1.284 40.721 42.059 -0.089 0.000 0.896 176 L HN 0.367 nan 8.230 nan 0.000 0.434 177 S N -1.604 114.070 115.700 -0.044 0.000 2.481 177 S HA -0.080 4.391 4.470 0.001 0.000 0.231 177 S C 1.909 176.502 174.600 -0.012 0.000 0.996 177 S CA 0.935 59.124 58.200 -0.019 0.000 0.942 177 S CB -0.244 62.947 63.200 -0.014 0.000 0.768 177 S HN 0.664 nan 8.310 nan 0.000 0.520 178 S N 0.315 116.002 115.700 -0.022 0.000 2.548 178 S HA 0.303 4.773 4.470 0.001 0.000 0.215 178 S C 0.445 175.049 174.600 0.007 0.000 0.976 178 S CA -0.228 57.967 58.200 -0.009 0.000 0.908 178 S CB -0.254 62.934 63.200 -0.021 0.000 0.781 178 S HN 0.297 nan 8.310 nan 0.000 0.519 179 M N 3.084 122.683 119.600 -0.002 0.000 2.264 179 M HA 0.376 4.856 4.480 0.001 0.000 0.352 179 M C 0.254 176.553 176.300 -0.001 0.000 1.173 179 M CA -0.518 54.780 55.300 -0.004 0.000 1.075 179 M CB 1.856 34.439 32.600 -0.027 0.000 1.621 179 M HN 0.335 nan 8.290 nan 0.000 0.457 180 S N 0.781 116.480 115.700 -0.002 0.000 2.614 180 S HA 0.138 4.608 4.470 0.001 0.000 0.265 180 S C 0.448 175.048 174.600 -0.001 0.000 1.303 180 S CA -0.683 57.518 58.200 0.002 0.000 1.000 180 S CB 0.795 63.995 63.200 -0.000 0.000 0.935 180 S HN 0.674 nan 8.310 nan 0.000 0.551 181 D N 1.540 121.943 120.400 0.005 0.000 2.149 181 D HA -0.085 4.556 4.640 0.001 0.000 0.198 181 D C 2.155 178.450 176.300 -0.008 0.000 0.990 181 D CA 1.846 55.849 54.000 0.006 0.000 0.839 181 D CB -0.835 39.971 40.800 0.010 0.000 0.948 181 D HN 0.709 nan 8.370 nan 0.000 0.460 182 A N 0.990 123.804 122.820 -0.011 0.000 1.898 182 A HA -0.188 4.133 4.320 0.001 0.000 0.216 182 A C 2.082 179.650 177.584 -0.027 0.000 1.181 182 A CA 1.385 53.411 52.037 -0.018 0.000 0.620 182 A CB -0.481 18.510 19.000 -0.015 0.000 0.819 182 A HN 0.207 nan 8.150 nan 0.000 0.442 183 E N -0.615 119.568 120.200 -0.028 0.000 2.077 183 E HA -0.255 4.096 4.350 0.001 0.000 0.193 183 E C 2.248 178.813 176.600 -0.057 0.000 0.989 183 E CA 1.277 57.652 56.400 -0.042 0.000 0.800 183 E CB -0.196 29.479 29.700 -0.042 0.000 0.746 183 E HN 0.811 nan 8.360 nan 0.000 0.452 184 Q N 0.785 120.554 119.800 -0.051 0.000 2.020 184 Q HA -0.235 4.106 4.340 0.001 0.000 0.202 184 Q C 2.318 178.276 176.000 -0.070 0.000 0.982 184 Q CA 1.285 57.047 55.803 -0.068 0.000 0.838 184 Q CB 0.078 28.793 28.738 -0.039 0.000 0.899 184 Q HN 0.192 nan 8.270 nan 0.000 0.423 185 Q N -0.079 119.690 119.800 -0.051 0.000 2.226 185 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 185 Q C 1.968 177.928 176.000 -0.067 0.000 0.975 185 Q CA 1.417 57.186 55.803 -0.056 0.000 0.866 185 Q CB 0.033 28.745 28.738 -0.043 0.000 0.915 185 Q HN 0.359 nan 8.270 nan 0.000 0.440 186 Q N 0.332 120.098 119.800 -0.056 0.000 2.046 186 Q HA -0.109 4.232 4.340 0.001 0.000 0.200 186 Q C 1.828 177.800 176.000 -0.047 0.000 0.975 186 Q CA 0.978 56.751 55.803 -0.051 0.000 0.836 186 Q CB -0.375 28.341 28.738 -0.036 0.000 0.896 186 Q HN 0.217 nan 8.270 nan 0.000 0.428 187 L N 0.060 121.259 121.223 -0.039 0.000 2.127 187 L HA -0.089 4.252 4.340 0.001 0.000 0.211 187 L C 2.077 178.933 176.870 -0.023 0.000 1.089 187 L CA 1.479 56.323 54.840 0.006 0.000 0.757 187 L CB -0.720 41.307 42.059 -0.052 0.000 0.899 187 L HN 0.340 nan 8.230 nan 0.000 0.434 188 I N -1.137 119.380 120.570 -0.087 0.000 2.277 188 I HA -0.211 3.960 4.170 0.001 0.000 0.243 188 I C 1.951 177.946 176.117 -0.204 0.000 1.094 188 I CA 0.751 61.983 61.300 -0.113 0.000 1.393 188 I CB -0.330 37.611 38.000 -0.098 0.000 1.078 188 I HN 0.150 nan 8.210 nan 0.000 0.417 189 D N 1.037 121.317 120.400 -0.199 0.000 2.158 189 D HA -0.193 4.448 4.640 0.001 0.000 0.197 189 D C 1.300 177.314 176.300 -0.478 0.000 0.995 189 D CA 1.297 55.130 54.000 -0.279 0.000 0.846 189 D CB -0.406 40.295 40.800 -0.165 0.000 0.941 189 D HN 0.296 nan 8.370 nan 0.000 0.456 190 D N -0.427 119.763 120.400 -0.351 0.000 2.324 190 D HA -0.017 4.624 4.640 0.001 0.000 0.235 190 D C -0.139 175.786 176.300 -0.625 0.000 1.095 190 D CA 0.084 53.838 54.000 -0.411 0.000 0.871 190 D CB -0.338 40.348 40.800 -0.189 0.000 0.906 190 D HN 0.386 nan 8.370 nan 0.000 0.522 191 H N -2.384 116.513 119.070 -0.288 0.000 2.820 191 H HA -0.207 4.349 4.556 0.001 0.000 0.295 191 H C 0.516 175.737 175.328 -0.178 0.000 1.187 191 H CA 0.362 56.291 56.048 -0.199 0.000 1.144 191 H CB -2.097 27.544 29.762 -0.201 0.000 1.354 191 H HN 0.176 nan 8.280 nan 0.000 0.395 192 F N -0.866 119.177 119.950 0.155 0.000 2.490 192 F HA 0.274 4.802 4.527 0.001 0.000 0.280 192 F C 1.232 177.239 175.800 0.345 0.000 1.030 192 F CA -0.062 58.042 58.000 0.173 0.000 1.367 192 F CB 0.228 39.233 39.000 0.007 0.000 1.131 192 F HN 0.153 nan 8.300 nan 0.000 0.632 193 L N 0.984 122.384 121.223 0.295 0.000 2.343 193 L HA 0.412 4.753 4.340 0.001 0.000 0.275 193 L C -0.306 176.385 176.870 -0.298 0.000 1.056 193 L CA -1.160 53.632 54.840 -0.081 0.000 0.804 193 L CB 0.361 42.230 42.059 -0.316 0.000 1.203 193 L HN 0.047 nan 8.230 nan 0.000 0.440 194 F N 0.857 120.369 119.950 -0.730 0.000 2.553 194 F HA 0.268 4.795 4.527 0.001 0.000 0.356 194 F C 0.667 176.313 175.800 -0.257 0.000 1.142 194 F CA -0.620 56.894 58.000 -0.810 0.000 1.322 194 F CB -0.407 37.825 39.000 -1.280 0.000 1.126 194 F HN 0.494 nan 8.300 nan 0.000 0.599 195 D N 1.630 122.060 120.400 0.050 0.000 2.349 195 D HA 0.081 4.722 4.640 0.001 0.000 0.239 195 D C -0.156 176.196 176.300 0.088 0.000 1.315 195 D CA -0.201 53.823 54.000 0.040 0.000 0.937 195 D CB 0.608 41.427 40.800 0.032 0.000 1.133 195 D HN 0.570 nan 8.370 nan 0.000 0.489 196 K N 0.630 121.029 120.400 -0.002 0.000 2.336 196 K HA 0.100 4.421 4.320 0.001 0.000 0.262 196 K C -1.998 174.429 176.600 -0.287 0.000 0.992 196 K CA -0.953 55.279 56.287 -0.092 0.000 0.927 196 K CB 0.016 32.462 32.500 -0.091 0.000 0.956 196 K HN 0.257 nan 8.250 nan 0.000 0.495 197 P HA -0.024 nan 4.420 nan 0.000 0.258 197 P C -0.199 176.876 177.300 -0.376 0.000 1.563 197 P CA 0.663 63.293 63.100 -0.783 0.000 1.241 197 P CB -0.515 30.426 31.700 -1.265 0.000 1.811 198 I N -1.480 118.962 120.570 -0.213 0.000 4.439 198 I HA 0.207 4.378 4.170 0.001 0.000 0.331 198 I C 0.639 176.721 176.117 -0.058 0.000 1.345 198 I CA -0.325 60.901 61.300 -0.122 0.000 1.193 198 I CB 0.266 38.214 38.000 -0.086 0.000 1.221 198 I HN 0.022 nan 8.210 nan 0.000 0.429 199 S N 4.287 119.965 115.700 -0.036 0.000 2.546 199 S HA 0.186 4.657 4.470 0.001 0.000 0.290 199 S C -0.790 173.822 174.600 0.021 0.000 1.290 199 S CA -0.697 57.521 58.200 0.030 0.000 1.069 199 S CB 0.481 63.716 63.200 0.057 0.000 0.846 199 S HN 0.201 nan 8.310 nan 0.000 0.495 200 P HA -0.102 nan 4.420 nan 0.000 0.220 200 P C 1.535 178.865 177.300 0.049 0.000 1.148 200 P CA 0.572 63.691 63.100 0.030 0.000 0.803 200 P CB 0.035 31.750 31.700 0.025 0.000 0.782 201 L N -0.309 120.961 121.223 0.078 0.000 2.023 201 L HA -0.034 4.307 4.340 0.001 0.000 0.205 201 L C 2.490 179.398 176.870 0.062 0.000 1.073 201 L CA 1.427 56.314 54.840 0.078 0.000 0.745 201 L CB -1.709 40.406 42.059 0.092 0.000 0.900 201 L HN -0.198 nan 8.230 nan 0.000 0.435 202 L N -0.716 120.536 121.223 0.049 0.000 2.043 202 L HA -0.234 4.106 4.340 0.001 0.000 0.212 202 L C 2.291 179.172 176.870 0.019 0.000 1.075 202 L CA 1.924 56.783 54.840 0.031 0.000 0.752 202 L CB -0.496 41.556 42.059 -0.012 0.000 0.891 202 L HN 0.339 nan 8.230 nan 0.000 0.432 203 L N -1.250 119.972 121.223 -0.001 0.000 2.007 203 L HA -0.117 4.224 4.340 0.001 0.000 0.205 203 L C 2.602 179.485 176.870 0.021 0.000 1.073 203 L CA 1.178 56.014 54.840 -0.006 0.000 0.744 203 L CB -0.867 41.175 42.059 -0.027 0.000 0.898 203 L HN 0.313 nan 8.230 nan 0.000 0.435 204 A N -0.207 122.629 122.820 0.027 0.000 2.067 204 A HA -0.158 4.163 4.320 0.001 0.000 0.219 204 A C 2.327 179.942 177.584 0.052 0.000 1.158 204 A CA 1.659 53.715 52.037 0.032 0.000 0.661 204 A CB -0.508 18.509 19.000 0.029 0.000 0.801 204 A HN 0.533 nan 8.150 nan 0.000 0.452 205 S N -2.200 113.543 115.700 0.072 0.000 2.593 205 S HA 0.382 4.853 4.470 0.001 0.000 0.217 205 S C 1.375 176.056 174.600 0.134 0.000 0.966 205 S CA 1.003 59.268 58.200 0.108 0.000 0.914 205 S CB -0.219 63.054 63.200 0.122 0.000 0.776 205 S HN 1.851 nan 8.310 nan 0.000 0.523 206 G N 1.389 110.252 108.800 0.105 0.000 2.157 206 G HA2 -0.265 3.695 3.960 0.001 0.000 0.248 206 G HA3 -0.265 3.695 3.960 0.001 0.000 0.248 206 G C 0.565 175.538 174.900 0.123 0.000 0.979 206 G CA 0.386 45.557 45.100 0.118 0.000 0.650 206 G HN 0.508 nan 8.290 nan 0.000 0.529 207 M N 0.187 119.855 119.600 0.113 0.000 2.659 207 M HA 0.273 4.753 4.480 0.001 0.000 0.243 207 M C 2.226 178.623 176.300 0.161 0.000 1.111 207 M CA 1.232 56.607 55.300 0.124 0.000 1.070 207 M CB 0.190 32.854 32.600 0.107 0.000 1.525 207 M HN 0.517 nan 8.290 nan 0.000 0.517 208 A N 0.141 123.040 122.820 0.131 0.000 2.348 208 A HA 0.200 4.521 4.320 0.001 0.000 0.224 208 A C 0.562 178.280 177.584 0.223 0.000 1.227 208 A CA -0.371 51.765 52.037 0.164 0.000 0.885 208 A CB 0.011 19.003 19.000 -0.013 0.000 0.933 208 A HN 0.315 nan 8.150 nan 0.000 0.506 209 R N 1.594 122.197 120.500 0.172 0.000 2.538 209 R HA 0.139 4.480 4.340 0.001 0.000 0.282 209 R C -0.356 176.042 176.300 0.163 0.000 1.009 209 R CA 0.593 56.779 56.100 0.142 0.000 1.063 209 R CB -0.003 30.358 30.300 0.102 0.000 0.945 209 R HN 0.403 nan 8.270 nan 0.000 0.414 210 D N -0.042 120.445 120.400 0.145 0.000 3.059 210 D HA -0.249 4.392 4.640 0.001 0.000 0.220 210 D C -0.350 176.043 176.300 0.156 0.000 1.169 210 D CA 0.830 54.903 54.000 0.122 0.000 0.902 210 D CB -0.850 39.991 40.800 0.069 0.000 1.116 210 D HN 0.598 nan 8.370 nan 0.000 0.417 211 W N 1.977 123.296 121.300 0.032 0.000 2.231 211 W HA 0.061 4.722 4.660 0.001 0.000 0.341 211 W C -1.543 175.003 176.519 0.044 0.000 1.298 211 W CA -0.416 56.954 57.345 0.041 0.000 1.266 211 W CB 0.300 29.783 29.460 0.039 0.000 1.172 211 W HN -0.045 nan 8.180 nan 0.000 0.568 212 P HA -0.028 nan 4.420 nan 0.000 0.262 212 P C -0.047 177.043 177.300 -0.350 0.000 1.304 212 P CA 0.282 63.014 63.100 -0.613 0.000 0.859 212 P CB -0.113 31.401 31.700 -0.309 0.000 1.310 213 D N 1.336 121.649 120.400 -0.146 0.000 2.581 213 D HA -0.005 4.636 4.640 0.001 0.000 0.238 213 D C 1.467 177.709 176.300 -0.097 0.000 1.145 213 D CA 2.042 55.995 54.000 -0.078 0.000 0.866 213 D CB 0.073 40.860 40.800 -0.021 0.000 1.151 213 D HN 0.287 nan 8.370 nan 0.000 0.500 214 G N 3.710 112.480 108.800 -0.049 0.000 2.205 214 G HA2 -0.317 3.643 3.960 0.001 0.000 0.261 214 G HA3 -0.317 3.643 3.960 0.001 0.000 0.261 214 G C 0.559 175.456 174.900 -0.005 0.000 0.980 214 G CA 0.440 45.532 45.100 -0.013 0.000 0.632 214 G HN 0.581 nan 8.290 nan 0.000 0.533 215 R N 0.436 120.867 120.500 -0.115 0.000 2.500 215 R HA 0.723 5.063 4.340 0.001 0.000 0.277 215 R C 0.776 177.153 176.300 0.128 0.000 1.026 215 R CA 0.863 56.910 56.100 -0.089 0.000 1.058 215 R CB 1.509 31.523 30.300 -0.477 0.000 1.078 215 R HN 1.015 nan 8.270 nan 0.000 0.509 216 G N 0.222 109.229 108.800 0.345 0.000 2.342 216 G HA2 0.407 4.367 3.960 0.001 0.000 0.297 216 G HA3 0.407 4.367 3.960 0.001 0.000 0.297 216 G C -1.843 173.338 174.900 0.467 0.000 1.313 216 G CA -0.659 44.603 45.100 0.270 0.000 0.830 216 G HN 0.536 nan 8.290 nan 0.000 0.506 217 I N -0.657 120.098 120.570 0.308 0.000 2.686 217 I HA 0.778 4.948 4.170 0.001 0.000 0.295 217 I C -1.745 174.717 176.117 0.575 0.000 1.114 217 I CA -1.238 60.352 61.300 0.484 0.000 1.038 217 I CB 2.106 40.292 38.000 0.310 0.000 1.238 217 I HN 0.784 nan 8.210 nan 0.000 0.420 218 W N 7.904 129.490 121.300 0.476 0.000 2.666 218 W HA 0.695 5.356 4.660 0.001 0.000 0.334 218 W C -1.430 175.283 176.519 0.323 0.000 1.051 218 W CA 0.030 57.609 57.345 0.390 0.000 1.224 218 W CB 0.956 30.633 29.460 0.361 0.000 1.405 218 W HN 0.702 nan 8.180 nan 0.000 0.513 219 H N 1.442 120.041 119.070 -0.785 0.000 2.987 219 H HA 0.410 4.966 4.556 0.001 0.000 0.316 219 H C -0.918 173.877 175.328 -0.888 0.000 1.380 219 H CA -1.182 54.390 56.048 -0.793 0.000 1.160 219 H CB 0.156 29.731 29.762 -0.311 0.000 1.865 219 H HN 0.450 nan 8.280 nan 0.000 0.521 220 N N 0.332 118.839 118.700 -0.321 0.000 2.327 220 N HA 0.100 4.841 4.740 0.001 0.000 0.257 220 N C 0.275 175.817 175.510 0.053 0.000 1.281 220 N CA -0.469 52.495 53.050 -0.145 0.000 0.942 220 N CB 0.238 38.723 38.487 -0.003 0.000 1.199 220 N HN 0.687 nan 8.380 nan 0.000 0.532 221 N N -0.252 118.452 118.700 0.006 0.000 2.223 221 N HA -0.109 4.632 4.740 0.001 0.000 0.185 221 N C 0.060 175.558 175.510 -0.019 0.000 1.016 221 N CA 1.008 54.072 53.050 0.023 0.000 0.863 221 N CB -0.278 38.212 38.487 0.004 0.000 0.983 221 N HN 0.583 nan 8.380 nan 0.000 0.429 222 D N 0.739 121.113 120.400 -0.043 0.000 2.363 222 D HA -0.006 4.635 4.640 0.001 0.000 0.220 222 D C 0.267 176.466 176.300 -0.168 0.000 0.994 222 D CA 0.258 54.214 54.000 -0.073 0.000 0.890 222 D CB 0.120 40.894 40.800 -0.043 0.000 0.906 222 D HN 0.225 nan 8.370 nan 0.000 0.530 223 K N -0.634 119.612 120.400 -0.257 0.000 3.069 223 K HA -0.174 4.147 4.320 0.001 0.000 0.267 223 K C 0.937 177.338 176.600 -0.332 0.000 1.082 223 K CA 1.060 56.989 56.287 -0.595 0.000 0.782 223 K CB -2.340 29.460 32.500 -1.167 0.000 1.230 223 K HN 0.343 nan 8.250 nan 0.000 0.488 224 T N -2.774 111.747 114.554 -0.055 0.000 3.014 224 T HA 0.193 4.543 4.350 0.001 0.000 0.250 224 T C 0.105 174.958 174.700 0.255 0.000 1.060 224 T CA -0.119 62.041 62.100 0.100 0.000 1.040 224 T CB 0.132 69.057 68.868 0.095 0.000 0.971 224 T HN 0.217 nan 8.240 nan 0.000 0.497 225 F N 1.700 121.705 119.950 0.092 0.000 2.579 225 F HA 0.701 5.229 4.527 0.001 0.000 0.325 225 F C -1.940 174.020 175.800 0.266 0.000 1.162 225 F CA -2.020 56.126 58.000 0.242 0.000 0.946 225 F CB 1.352 40.587 39.000 0.393 0.000 1.211 225 F HN -0.065 nan 8.300 nan 0.000 0.447 226 L N 5.402 126.479 121.223 -0.243 0.000 2.359 226 L HA 0.830 5.171 4.340 0.001 0.000 0.256 226 L C -1.148 175.709 176.870 -0.021 0.000 1.026 226 L CA -1.161 53.685 54.840 0.010 0.000 0.828 226 L CB 2.073 44.194 42.059 0.104 0.000 1.406 226 L HN 0.276 nan 8.230 nan 0.000 0.413 227 V N -0.096 120.020 119.914 0.336 0.000 2.524 227 V HA 0.380 4.501 4.120 0.001 0.000 0.297 227 V C -1.309 175.101 176.094 0.527 0.000 1.035 227 V CA -0.494 61.978 62.300 0.286 0.000 0.867 227 V CB 1.755 33.736 31.823 0.264 0.000 1.004 227 V HN 0.544 nan 8.190 nan 0.000 0.426 228 W N 3.969 125.434 121.300 0.274 0.000 2.287 228 W HA 0.555 5.215 4.660 0.001 0.000 0.313 228 W C -0.161 176.523 176.519 0.275 0.000 1.267 228 W CA -0.954 56.621 57.345 0.385 0.000 1.201 228 W CB 1.234 30.928 29.460 0.389 0.000 1.196 228 W HN 0.265 nan 8.180 nan 0.000 0.536 229 V N 5.839 126.070 119.914 0.529 0.000 2.334 229 V HA 0.188 4.308 4.120 0.001 0.000 0.281 229 V C -0.001 176.195 176.094 0.169 0.000 1.016 229 V CA -1.142 61.346 62.300 0.313 0.000 0.832 229 V CB 0.657 32.672 31.823 0.321 0.000 0.999 229 V HN 0.631 nan 8.190 nan 0.000 0.439 230 N N 3.898 122.660 118.700 0.104 0.000 2.663 230 N HA -0.152 4.588 4.740 0.001 0.000 0.263 230 N C 0.549 175.986 175.510 -0.122 0.000 1.109 230 N CA 1.187 54.255 53.050 0.029 0.000 0.701 230 N CB -0.250 38.242 38.487 0.007 0.000 0.879 230 N HN 0.940 nan 8.380 nan 0.000 0.550 231 E N 0.606 120.728 120.200 -0.129 0.000 2.645 231 E HA 0.084 4.435 4.350 0.001 0.000 0.198 231 E C 0.944 177.530 176.600 -0.023 0.000 1.091 231 E CA 0.057 56.294 56.400 -0.272 0.000 1.096 231 E CB 0.301 29.626 29.700 -0.625 0.000 2.013 231 E HN 0.414 nan 8.360 nan 0.000 0.537 232 E N -0.314 119.912 120.200 0.043 0.000 2.340 232 E HA 0.042 4.392 4.350 0.001 0.000 0.198 232 E C -0.379 176.252 176.600 0.051 0.000 0.961 232 E CA 0.124 56.569 56.400 0.076 0.000 0.905 232 E CB 0.611 30.381 29.700 0.116 0.000 0.884 232 E HN 0.091 nan 8.360 nan 0.000 0.491 233 D N -1.749 118.683 120.400 0.053 0.000 2.523 233 D HA 0.162 4.802 4.640 0.001 0.000 0.236 233 D C 0.181 176.514 176.300 0.054 0.000 1.094 233 D CA -0.534 53.456 54.000 -0.016 0.000 0.942 233 D CB 0.931 41.705 40.800 -0.043 0.000 1.447 233 D HN 0.135 nan 8.370 nan 0.000 0.479 234 H N -0.412 118.650 119.070 -0.012 0.000 2.289 234 H HA -0.089 4.468 4.556 0.001 0.000 0.296 234 H C 0.054 175.372 175.328 -0.016 0.000 1.091 234 H CA 0.913 56.952 56.048 -0.015 0.000 1.274 234 H CB 0.252 29.997 29.762 -0.029 0.000 1.364 234 H HN 0.010 nan 8.280 nan 0.000 0.490 235 L N 0.100 121.352 121.223 0.047 0.000 2.401 235 L HA 0.391 4.732 4.340 0.001 0.000 0.266 235 L C -0.535 176.314 176.870 -0.035 0.000 0.991 235 L CA -0.576 54.260 54.840 -0.007 0.000 0.818 235 L CB 2.273 44.230 42.059 -0.169 0.000 1.321 235 L HN 0.032 nan 8.230 nan 0.000 0.413 236 R N 1.937 122.464 120.500 0.044 0.000 2.435 236 R HA 0.585 4.926 4.340 0.001 0.000 0.308 236 R C -1.416 174.804 176.300 -0.133 0.000 0.975 236 R CA -0.646 55.425 56.100 -0.047 0.000 0.867 236 R CB 1.902 32.207 30.300 0.007 0.000 1.171 236 R HN 0.345 nan 8.270 nan 0.000 0.470 237 V N 5.892 125.715 119.914 -0.151 0.000 2.406 237 V HA 0.473 4.593 4.120 0.001 0.000 0.272 237 V C 0.656 176.684 176.094 -0.109 0.000 1.043 237 V CA -0.385 61.810 62.300 -0.176 0.000 0.915 237 V CB 1.181 32.904 31.823 -0.168 0.000 0.988 237 V HN 0.519 nan 8.190 nan 0.000 0.466 238 I N 3.543 123.973 120.570 -0.234 0.000 2.646 238 I HA 0.631 4.802 4.170 0.001 0.000 0.299 238 I C -0.134 175.994 176.117 0.019 0.000 1.036 238 I CA -0.373 60.865 61.300 -0.104 0.000 1.074 238 I CB 2.289 40.150 38.000 -0.232 0.000 1.258 238 I HN 0.595 nan 8.210 nan 0.000 0.430 239 S N 7.229 123.068 115.700 0.232 0.000 2.614 239 S HA 0.874 5.345 4.470 0.001 0.000 0.288 239 S C -0.822 173.909 174.600 0.218 0.000 1.137 239 S CA -0.595 57.825 58.200 0.367 0.000 0.992 239 S CB 0.932 64.481 63.200 0.581 0.000 1.026 239 S HN 0.662 nan 8.310 nan 0.000 0.486 240 M N 3.017 122.740 119.600 0.205 0.000 2.732 240 M HA 0.620 5.100 4.480 0.001 0.000 0.272 240 M C -2.237 174.158 176.300 0.159 0.000 1.203 240 M CA -0.828 54.559 55.300 0.146 0.000 0.841 240 M CB 1.912 34.585 32.600 0.122 0.000 1.685 240 M HN 0.662 nan 8.290 nan 0.000 0.492 241 Q N 0.032 119.897 119.800 0.108 0.000 2.594 241 Q HA 0.507 4.847 4.340 0.001 0.000 0.278 241 Q C -1.813 174.219 176.000 0.054 0.000 0.961 241 Q CA -1.357 54.508 55.803 0.104 0.000 0.844 241 Q CB 1.570 30.363 28.738 0.092 0.000 1.475 241 Q HN 0.596 nan 8.270 nan 0.000 0.389 242 K N 0.727 121.160 120.400 0.055 0.000 2.380 242 K HA 0.577 4.897 4.320 0.001 0.000 0.267 242 K C 0.632 177.249 176.600 0.028 0.000 0.990 242 K CA 1.617 57.920 56.287 0.028 0.000 0.946 242 K CB 0.475 32.996 32.500 0.036 0.000 0.937 242 K HN 0.977 nan 8.250 nan 0.000 0.491 243 G N -0.005 108.808 108.800 0.022 0.000 2.592 243 G HA2 -0.055 3.906 3.960 0.001 0.000 0.684 243 G HA3 -0.055 3.906 3.960 0.001 0.000 0.684 243 G C 0.124 175.041 174.900 0.028 0.000 1.291 243 G CA -0.420 44.697 45.100 0.029 0.000 0.891 243 G HN 0.675 nan 8.290 nan 0.000 0.544 244 G N -0.619 108.202 108.800 0.035 0.000 4.222 244 G HA2 0.403 4.364 3.960 0.001 0.000 0.301 244 G HA3 0.403 4.364 3.960 0.001 0.000 0.301 244 G C 0.354 175.272 174.900 0.030 0.000 1.171 244 G CA 0.515 45.634 45.100 0.032 0.000 0.937 244 G HN 0.740 nan 8.290 nan 0.000 0.557 245 N N 1.162 119.883 118.700 0.035 0.000 3.209 245 N HA 0.077 4.818 4.740 0.001 0.000 0.309 245 N C 1.688 177.229 175.510 0.052 0.000 1.384 245 N CA -0.618 52.458 53.050 0.043 0.000 1.173 245 N CB 0.436 38.951 38.487 0.047 0.000 1.460 245 N HN 0.144 nan 8.380 nan 0.000 0.534 246 M N 0.926 120.548 119.600 0.037 0.000 2.331 246 M HA -0.196 4.284 4.480 0.001 0.000 0.260 246 M C 1.809 178.158 176.300 0.081 0.000 1.072 246 M CA 1.603 56.922 55.300 0.033 0.000 1.065 246 M CB -0.078 32.515 32.600 -0.012 0.000 1.392 246 M HN 0.367 nan 8.290 nan 0.000 0.427 247 K N -0.624 119.832 120.400 0.093 0.000 2.116 247 K HA -0.180 4.141 4.320 0.001 0.000 0.203 247 K C 1.995 178.696 176.600 0.169 0.000 1.052 247 K CA 1.539 57.914 56.287 0.146 0.000 0.952 247 K CB -0.333 32.231 32.500 0.107 0.000 0.729 247 K HN 0.579 nan 8.250 nan 0.000 0.446 248 E N 0.485 120.758 120.200 0.122 0.000 2.106 248 E HA -0.125 4.226 4.350 0.001 0.000 0.192 248 E C 1.857 178.549 176.600 0.153 0.000 0.984 248 E CA 0.907 57.375 56.400 0.114 0.000 0.806 248 E CB 0.178 29.926 29.700 0.080 0.000 0.750 248 E HN 0.157 nan 8.360 nan 0.000 0.458 249 V N 0.907 120.921 119.914 0.167 0.000 2.295 249 V HA -0.234 3.887 4.120 0.001 0.000 0.246 249 V C 2.152 178.438 176.094 0.321 0.000 1.049 249 V CA 1.839 64.263 62.300 0.207 0.000 1.024 249 V CB -0.673 31.238 31.823 0.147 0.000 0.648 249 V HN 0.359 nan 8.190 nan 0.000 0.447 250 F N 1.374 121.399 119.950 0.124 0.000 2.171 250 F HA -0.129 4.398 4.527 0.001 0.000 0.300 250 F C 2.595 178.544 175.800 0.249 0.000 1.090 250 F CA 1.799 59.902 58.000 0.172 0.000 1.293 250 F CB -0.480 38.571 39.000 0.084 0.000 1.013 250 F HN 0.000 nan 8.300 nan 0.000 0.486 251 R N 1.134 121.726 120.500 0.153 0.000 2.073 251 R HA -0.178 4.163 4.340 0.001 0.000 0.234 251 R C 2.383 178.723 176.300 0.067 0.000 1.134 251 R CA 1.833 57.950 56.100 0.028 0.000 0.952 251 R CB -0.883 29.455 30.300 0.063 0.000 0.850 251 R HN 0.321 nan 8.270 nan 0.000 0.433 252 R N -0.644 119.952 120.500 0.159 0.000 2.092 252 R HA -0.142 4.198 4.340 0.001 0.000 0.231 252 R C 2.281 178.724 176.300 0.240 0.000 1.119 252 R CA 1.457 57.678 56.100 0.201 0.000 0.970 252 R CB -0.454 29.977 30.300 0.218 0.000 0.864 252 R HN 0.246 nan 8.270 nan 0.000 0.440 253 F N 0.770 120.824 119.950 0.173 0.000 2.051 253 F HA -0.286 4.241 4.527 0.001 0.000 0.296 253 F C 2.230 178.060 175.800 0.050 0.000 1.122 253 F CA 1.764 59.900 58.000 0.225 0.000 1.201 253 F CB -0.746 38.399 39.000 0.242 0.000 0.978 253 F HN 0.046 nan 8.300 nan 0.000 0.472 254 C N -0.254 118.958 119.300 -0.146 0.000 2.413 254 C HA -0.150 4.310 4.460 0.001 0.000 0.276 254 C C 2.863 177.688 174.990 -0.275 0.000 1.236 254 C CA 1.024 59.859 59.018 -0.305 0.000 1.735 254 C CB -1.301 26.232 27.740 -0.345 0.000 2.031 254 C HN 0.449 nan 8.230 nan 0.000 0.474 255 V N 1.384 121.175 119.914 -0.205 0.000 2.261 255 V HA -0.095 4.025 4.120 0.001 0.000 0.246 255 V C 2.698 178.481 176.094 -0.518 0.000 1.047 255 V CA 2.482 64.646 62.300 -0.226 0.000 1.015 255 V CB -1.550 30.256 31.823 -0.028 0.000 0.642 255 V HN 0.646 nan 8.190 nan 0.000 0.446 256 G N -0.379 107.933 108.800 -0.813 0.000 2.418 256 G HA2 -0.240 3.721 3.960 0.001 0.000 0.217 256 G HA3 -0.240 3.721 3.960 0.001 0.000 0.217 256 G C 1.589 176.190 174.900 -0.498 0.000 1.158 256 G CA 1.114 45.403 45.100 -1.352 0.000 0.771 256 G HN 0.410 nan 8.290 nan 0.000 0.545 257 L N 0.645 121.682 121.223 -0.309 0.000 1.994 257 L HA 0.032 4.373 4.340 0.001 0.000 0.208 257 L C 2.782 179.535 176.870 -0.195 0.000 1.071 257 L CA 2.084 56.774 54.840 -0.250 0.000 0.745 257 L CB -0.518 41.231 42.059 -0.517 0.000 0.892 257 L HN 0.132 nan 8.230 nan 0.000 0.431 258 K N -0.571 119.695 120.400 -0.223 0.000 2.063 258 K HA -0.221 4.099 4.320 0.001 0.000 0.208 258 K C 2.112 178.632 176.600 -0.133 0.000 1.048 258 K CA 1.869 58.068 56.287 -0.146 0.000 0.928 258 K CB -0.178 32.234 32.500 -0.145 0.000 0.713 258 K HN 0.353 nan 8.250 nan 0.000 0.442 259 K N 0.756 121.029 120.400 -0.211 0.000 2.009 259 K HA -0.124 4.196 4.320 0.001 0.000 0.210 259 K C 2.169 178.709 176.600 -0.100 0.000 1.049 259 K CA 1.437 57.609 56.287 -0.192 0.000 0.929 259 K CB -0.263 32.040 32.500 -0.329 0.000 0.714 259 K HN 0.105 nan 8.250 nan 0.000 0.440 260 I N 1.600 122.126 120.570 -0.074 0.000 2.151 260 I HA -0.316 3.854 4.170 0.001 0.000 0.243 260 I C 2.290 178.545 176.117 0.230 0.000 1.080 260 I CA 1.499 62.853 61.300 0.091 0.000 1.339 260 I CB -0.309 37.748 38.000 0.094 0.000 1.039 260 I HN 0.276 nan 8.210 nan 0.000 0.409 261 E N 0.443 120.743 120.200 0.166 0.000 2.153 261 E HA -0.220 4.131 4.350 0.001 0.000 0.194 261 E C 1.583 178.189 176.600 0.010 0.000 0.988 261 E CA 1.151 57.650 56.400 0.164 0.000 0.811 261 E CB -0.091 29.704 29.700 0.158 0.000 0.746 261 E HN 0.543 nan 8.360 nan 0.000 0.466 262 D N 0.570 120.964 120.400 -0.009 0.000 2.162 262 D HA -0.056 4.584 4.640 0.001 0.000 0.203 262 D C 2.061 178.327 176.300 -0.057 0.000 0.967 262 D CA 0.555 54.526 54.000 -0.048 0.000 0.840 262 D CB -0.067 40.697 40.800 -0.060 0.000 0.972 262 D HN 0.206 nan 8.370 nan 0.000 0.482 263 I N 0.160 120.706 120.570 -0.041 0.000 2.179 263 I HA -0.261 3.909 4.170 0.001 0.000 0.242 263 I C 2.190 178.200 176.117 -0.177 0.000 1.088 263 I CA 0.986 62.221 61.300 -0.108 0.000 1.357 263 I CB -0.296 37.631 38.000 -0.121 0.000 1.051 263 I HN -0.120 nan 8.210 nan 0.000 0.409 264 F N 0.363 120.194 119.950 -0.198 0.000 2.113 264 F HA -0.187 4.340 4.527 0.001 0.000 0.297 264 F C 2.508 178.139 175.800 -0.282 0.000 1.103 264 F CA 1.346 59.180 58.000 -0.278 0.000 1.248 264 F CB -0.642 38.047 39.000 -0.519 0.000 0.999 264 F HN -0.219 nan 8.300 nan 0.000 0.475 265 V N 0.098 119.944 119.914 -0.113 0.000 2.287 265 V HA -0.357 3.763 4.120 0.001 0.000 0.248 265 V C 2.366 178.401 176.094 -0.100 0.000 1.053 265 V CA 2.094 64.321 62.300 -0.122 0.000 1.027 265 V CB -0.547 31.209 31.823 -0.112 0.000 0.646 265 V HN 0.240 nan 8.190 nan 0.000 0.447 266 K N -0.211 120.128 120.400 -0.102 0.000 2.147 266 K HA -0.097 4.223 4.320 0.001 0.000 0.205 266 K C 1.865 178.400 176.600 -0.108 0.000 1.049 266 K CA 1.320 57.549 56.287 -0.096 0.000 0.936 266 K CB -0.251 32.191 32.500 -0.096 0.000 0.722 266 K HN 0.490 nan 8.250 nan 0.000 0.446 267 A N -0.025 122.708 122.820 -0.144 0.000 2.238 267 A HA 0.192 4.513 4.320 0.001 0.000 0.208 267 A C 1.043 178.562 177.584 -0.108 0.000 1.177 267 A CA 0.672 52.617 52.037 -0.153 0.000 0.804 267 A CB -0.364 18.487 19.000 -0.249 0.000 0.823 267 A HN 0.435 nan 8.150 nan 0.000 0.482 268 G N -0.753 107.995 108.800 -0.087 0.000 2.225 268 G HA2 -0.232 3.729 3.960 0.001 0.000 0.264 268 G HA3 -0.232 3.729 3.960 0.001 0.000 0.264 268 G C 0.611 175.487 174.900 -0.040 0.000 1.060 268 G CA 0.386 45.451 45.100 -0.058 0.000 0.833 268 G HN 0.350 nan 8.290 nan 0.000 0.498 269 R N -0.014 120.462 120.500 -0.040 0.000 2.476 269 R HA 0.271 4.611 4.340 0.001 0.000 0.276 269 R C 1.761 178.046 176.300 -0.025 0.000 0.941 269 R CA 0.248 56.361 56.100 0.022 0.000 1.088 269 R CB -0.110 30.259 30.300 0.116 0.000 1.216 269 R HN 0.884 nan 8.270 nan 0.000 0.533 270 G N 1.461 110.185 108.800 -0.125 0.000 4.099 270 G HA2 -0.218 3.743 3.960 0.001 0.000 0.309 270 G HA3 -0.218 3.743 3.960 0.001 0.000 0.309 270 G C -0.356 174.421 174.900 -0.205 0.000 1.297 270 G CA 0.111 45.061 45.100 -0.250 0.000 0.878 270 G HN 0.077 nan 8.290 nan 0.000 0.607 271 F N -0.803 119.212 119.950 0.108 0.000 2.432 271 F HA 0.472 5.000 4.527 0.001 0.000 0.329 271 F C 1.124 177.055 175.800 0.219 0.000 1.076 271 F CA -1.167 56.914 58.000 0.135 0.000 1.018 271 F CB 1.359 40.437 39.000 0.130 0.000 1.201 271 F HN 0.246 nan 8.300 nan 0.000 0.489 272 M N 2.185 122.038 119.600 0.421 0.000 2.356 272 M HA 0.014 4.494 4.480 0.001 0.000 0.348 272 M C -1.163 175.347 176.300 0.351 0.000 1.595 272 M CA 0.933 56.412 55.300 0.299 0.000 1.095 272 M CB 0.114 32.831 32.600 0.194 0.000 1.963 272 M HN 0.667 nan 8.290 nan 0.000 0.459 273 W N 5.089 126.417 121.300 0.047 0.000 3.256 273 W HA 0.466 5.127 4.660 0.001 0.000 0.324 273 W C -1.410 175.060 176.519 -0.082 0.000 1.196 273 W CA -0.579 56.708 57.345 -0.097 0.000 1.206 273 W CB 1.397 30.747 29.460 -0.184 0.000 1.385 273 W HN 0.708 nan 8.180 nan 0.000 0.522 274 N N 2.172 120.339 118.700 -0.887 0.000 2.277 274 N HA 0.262 5.003 4.740 0.001 0.000 0.286 274 N C 0.231 174.954 175.510 -1.311 0.000 1.140 274 N CA -0.634 51.993 53.050 -0.704 0.000 0.799 274 N CB 2.120 40.399 38.487 -0.346 0.000 1.596 274 N HN 0.357 nan 8.380 nan 0.000 0.473 275 E N 0.241 119.949 120.200 -0.820 0.000 2.171 275 E HA -0.218 4.133 4.350 0.001 0.000 0.197 275 E C 0.611 176.900 176.600 -0.519 0.000 0.997 275 E CA 1.532 57.542 56.400 -0.650 0.000 0.810 275 E CB -0.198 29.290 29.700 -0.353 0.000 0.738 275 E HN 0.612 nan 8.360 nan 0.000 0.467 276 H N -0.287 118.609 119.070 -0.291 0.000 2.320 276 H HA 0.130 4.686 4.556 0.001 0.000 0.309 276 H C 2.203 177.429 175.328 -0.171 0.000 1.057 276 H CA 0.647 56.622 56.048 -0.123 0.000 1.374 276 H CB -0.029 29.684 29.762 -0.083 0.000 1.421 276 H HN 0.080 nan 8.280 nan 0.000 0.532 277 L N 0.493 121.582 121.223 -0.223 0.000 2.591 277 L HA 0.138 4.479 4.340 0.001 0.000 0.228 277 L C 1.511 178.004 176.870 -0.628 0.000 1.133 277 L CA 0.354 54.939 54.840 -0.425 0.000 0.880 277 L CB -0.301 41.453 42.059 -0.509 0.000 1.033 277 L HN 0.387 nan 8.230 nan 0.000 0.450 278 G N -0.120 108.219 108.800 -0.769 0.000 2.556 278 G HA2 -0.358 3.603 3.960 0.001 0.000 0.283 278 G HA3 -0.358 3.603 3.960 0.001 0.000 0.283 278 G C -0.342 174.023 174.900 -0.891 0.000 1.177 278 G CA -0.100 44.426 45.100 -0.957 0.000 0.978 278 G HN 0.116 nan 8.290 nan 0.000 0.554 279 Y N 0.413 120.530 120.300 -0.306 0.000 2.465 279 Y HA 0.427 4.978 4.550 0.001 0.000 0.331 279 Y C 1.131 176.902 175.900 -0.215 0.000 1.102 279 Y CA -0.054 57.992 58.100 -0.090 0.000 1.358 279 Y CB 1.141 39.623 38.460 0.036 0.000 1.213 279 Y HN 0.382 nan 8.280 nan 0.000 0.525 280 V N 6.675 126.588 119.914 -0.002 0.000 2.432 280 V HA 0.304 4.425 4.120 0.001 0.000 0.271 280 V C 0.105 176.192 176.094 -0.011 0.000 1.046 280 V CA -0.374 61.874 62.300 -0.086 0.000 0.945 280 V CB 0.342 32.145 31.823 -0.034 0.000 0.992 280 V HN 0.609 nan 8.190 nan 0.000 0.471 281 L N 3.147 124.362 121.223 -0.014 0.000 2.322 281 L HA 0.447 4.788 4.340 0.001 0.000 0.252 281 L C 1.423 178.332 176.870 0.064 0.000 1.055 281 L CA -0.644 54.191 54.840 -0.008 0.000 0.849 281 L CB 2.008 44.053 42.059 -0.023 0.000 1.446 281 L HN 0.504 nan 8.230 nan 0.000 0.416 282 T N -0.922 113.641 114.554 0.015 0.000 2.607 282 T HA -0.201 4.150 4.350 0.001 0.000 0.267 282 T C 0.588 175.347 174.700 0.098 0.000 1.049 282 T CA 1.282 63.401 62.100 0.032 0.000 1.162 282 T CB -0.145 68.734 68.868 0.019 0.000 0.863 282 T HN 0.545 nan 8.240 nan 0.000 0.424 283 C N 2.649 122.016 119.300 0.111 0.000 2.388 283 C HA 0.369 4.829 4.460 0.001 0.000 0.362 283 C C -1.332 173.764 174.990 0.176 0.000 1.266 283 C CA -2.138 56.968 59.018 0.148 0.000 2.028 283 C CB 0.882 28.694 27.740 0.119 0.000 2.440 283 C HN 0.309 nan 8.230 nan 0.000 0.547 284 P HA -0.124 nan 4.420 nan 0.000 0.221 284 P C 1.546 178.995 177.300 0.249 0.000 1.145 284 P CA 1.846 65.093 63.100 0.246 0.000 0.795 284 P CB 0.052 31.959 31.700 0.345 0.000 0.775 285 S N -1.983 113.817 115.700 0.167 0.000 2.481 285 S HA -0.030 4.441 4.470 0.001 0.000 0.231 285 S C 1.532 176.211 174.600 0.132 0.000 0.996 285 S CA 0.748 58.990 58.200 0.070 0.000 0.942 285 S CB -0.861 62.340 63.200 0.002 0.000 0.768 285 S HN 0.072 nan 8.310 nan 0.000 0.520 286 N N 1.045 119.812 118.700 0.113 0.000 2.235 286 N HA 0.348 5.089 4.740 0.001 0.000 0.209 286 N C -0.619 174.896 175.510 0.009 0.000 1.122 286 N CA 0.035 53.125 53.050 0.067 0.000 0.845 286 N CB 0.285 38.799 38.487 0.045 0.000 1.004 286 N HN 0.468 nan 8.380 nan 0.000 0.499 287 L N -0.639 120.559 121.223 -0.041 0.000 2.334 287 L HA 0.574 4.914 4.340 0.001 0.000 0.277 287 L C 1.428 178.069 176.870 -0.383 0.000 1.075 287 L CA -0.201 54.494 54.840 -0.241 0.000 0.804 287 L CB 1.429 43.251 42.059 -0.395 0.000 1.174 287 L HN 0.137 nan 8.230 nan 0.000 0.438 288 G N 1.321 109.831 108.800 -0.484 0.000 2.680 288 G HA2 -0.285 3.676 3.960 0.001 0.000 0.222 288 G HA3 -0.285 3.676 3.960 0.001 0.000 0.222 288 G C 0.671 175.279 174.900 -0.486 0.000 1.460 288 G CA 0.197 44.781 45.100 -0.861 0.000 1.275 288 G HN 0.660 nan 8.290 nan 0.000 0.506 289 T N -0.350 114.152 114.554 -0.087 0.000 3.067 289 T HA 0.410 4.761 4.350 0.001 0.000 0.257 289 T C 2.611 177.415 174.700 0.173 0.000 1.105 289 T CA 1.867 64.124 62.100 0.262 0.000 1.104 289 T CB 0.062 69.110 68.868 0.301 0.000 0.925 289 T HN 2.685 nan 8.240 nan 0.000 0.498 290 G N 1.445 110.286 108.800 0.069 0.000 2.186 290 G HA2 -0.281 3.680 3.960 0.001 0.000 0.266 290 G HA3 -0.281 3.680 3.960 0.001 0.000 0.266 290 G C -0.014 174.913 174.900 0.046 0.000 0.982 290 G CA 0.599 45.721 45.100 0.038 0.000 0.670 290 G HN 0.818 nan 8.290 nan 0.000 0.533 291 L N -0.059 121.207 121.223 0.072 0.000 2.305 291 L HA 0.746 5.087 4.340 0.001 0.000 0.281 291 L C 0.519 177.371 176.870 -0.031 0.000 1.085 291 L CA -1.011 53.843 54.840 0.024 0.000 0.813 291 L CB 0.841 42.924 42.059 0.040 0.000 1.157 291 L HN 0.175 nan 8.230 nan 0.000 0.436 292 R N 4.221 124.675 120.500 -0.077 0.000 2.358 292 R HA 0.521 4.861 4.340 0.001 0.000 0.309 292 R C -0.725 175.494 176.300 -0.136 0.000 1.026 292 R CA -0.451 55.601 56.100 -0.079 0.000 0.909 292 R CB 1.296 31.568 30.300 -0.046 0.000 1.153 292 R HN 0.820 nan 8.270 nan 0.000 0.515 293 G N 1.340 110.046 108.800 -0.158 0.000 2.379 293 G HA2 0.677 4.637 3.960 0.001 0.000 0.327 293 G HA3 0.677 4.637 3.960 0.001 0.000 0.327 293 G C -0.673 174.145 174.900 -0.136 0.000 1.145 293 G CA -0.410 44.575 45.100 -0.192 0.000 0.905 293 G HN 0.740 nan 8.290 nan 0.000 0.466 294 G N -1.074 107.655 108.800 -0.119 0.000 2.561 294 G HA2 0.816 4.776 3.960 0.001 0.000 0.310 294 G HA3 0.816 4.776 3.960 0.001 0.000 0.310 294 G C -1.090 173.764 174.900 -0.077 0.000 1.292 294 G CA 0.279 45.331 45.100 -0.079 0.000 0.811 294 G HN 1.769 nan 8.290 nan 0.000 0.482 295 V N -3.584 116.308 119.914 -0.037 0.000 3.206 295 V HA 0.739 4.859 4.120 0.001 0.000 0.305 295 V C -1.216 174.916 176.094 0.062 0.000 1.257 295 V CA -1.136 61.145 62.300 -0.031 0.000 1.057 295 V CB 1.655 33.484 31.823 0.010 0.000 1.075 295 V HN 0.920 nan 8.190 nan 0.000 0.443 296 H N 0.580 119.634 119.070 -0.026 0.000 2.581 296 H HA 0.752 5.309 4.556 0.001 0.000 0.308 296 H C -0.530 174.807 175.328 0.015 0.000 1.040 296 H CA -0.570 55.461 56.048 -0.029 0.000 1.231 296 H CB 1.831 31.526 29.762 -0.110 0.000 1.396 296 H HN 0.834 nan 8.280 nan 0.000 0.467 297 V N 1.319 121.339 119.914 0.177 0.000 2.769 297 V HA 0.404 4.524 4.120 0.001 0.000 0.312 297 V C -0.292 175.890 176.094 0.147 0.000 1.061 297 V CA -1.265 61.128 62.300 0.154 0.000 0.931 297 V CB 2.187 34.104 31.823 0.157 0.000 1.010 297 V HN 0.608 nan 8.190 nan 0.000 0.433 298 K N 3.932 124.412 120.400 0.134 0.000 2.266 298 K HA 0.616 4.936 4.320 0.001 0.000 0.274 298 K C -0.357 176.331 176.600 0.148 0.000 1.090 298 K CA -0.521 55.825 56.287 0.098 0.000 0.925 298 K CB 0.626 33.130 32.500 0.007 0.000 1.225 298 K HN 0.901 nan 8.250 nan 0.000 0.458 299 I N 2.688 123.325 120.570 0.113 0.000 2.905 299 I HA 0.349 4.520 4.170 0.001 0.000 0.297 299 I C -2.234 173.870 176.117 -0.022 0.000 1.358 299 I CA -2.494 58.839 61.300 0.055 0.000 0.975 299 I CB 1.151 39.112 38.000 -0.064 0.000 1.857 299 I HN 0.343 nan 8.210 nan 0.000 0.612 300 P HA -0.142 nan 4.420 nan 0.000 0.215 300 P C 0.989 178.161 177.300 -0.213 0.000 1.153 300 P CA 1.786 64.811 63.100 -0.126 0.000 0.853 300 P CB 0.147 31.722 31.700 -0.209 0.000 0.788 301 H N -1.196 117.848 119.070 -0.044 0.000 2.276 301 H HA 0.007 4.563 4.556 0.001 0.000 0.307 301 H C 1.943 177.220 175.328 -0.085 0.000 1.061 301 H CA 0.831 56.856 56.048 -0.038 0.000 1.336 301 H CB -1.179 28.586 29.762 0.005 0.000 1.396 301 H HN -0.064 nan 8.280 nan 0.000 0.503 302 L N 1.289 122.510 121.223 -0.003 0.000 2.081 302 L HA -0.205 4.136 4.340 0.001 0.000 0.212 302 L C 2.352 178.894 176.870 -0.548 0.000 1.080 302 L CA 1.740 56.478 54.840 -0.170 0.000 0.754 302 L CB -0.768 41.175 42.059 -0.194 0.000 0.893 302 L HN 0.645 nan 8.230 nan 0.000 0.433 303 C N -1.508 117.304 119.300 -0.814 0.000 2.422 303 C HA -0.024 4.436 4.460 0.001 0.000 0.286 303 C C 2.238 176.956 174.990 -0.453 0.000 1.412 303 C CA 0.191 58.470 59.018 -1.231 0.000 1.786 303 C CB -1.066 26.120 27.740 -0.924 0.000 1.835 303 C HN 0.404 nan 8.230 nan 0.000 0.533 304 K N -0.138 120.138 120.400 -0.207 0.000 2.361 304 K HA 0.140 4.461 4.320 0.001 0.000 0.194 304 K C 0.584 177.195 176.600 0.018 0.000 1.032 304 K CA 0.090 56.345 56.287 -0.052 0.000 1.048 304 K CB -0.611 31.858 32.500 -0.051 0.000 0.842 304 K HN 0.658 nan 8.250 nan 0.000 0.526 305 H N 2.821 121.857 119.070 -0.055 0.000 2.803 305 H HA -0.023 4.534 4.556 0.001 0.000 0.330 305 H C 1.161 176.527 175.328 0.064 0.000 1.057 305 H CA 0.506 56.560 56.048 0.010 0.000 1.458 305 H CB 1.016 30.783 29.762 0.009 0.000 1.470 305 H HN 0.227 nan 8.280 nan 0.000 0.560 306 E N 4.305 124.617 120.200 0.186 0.000 2.333 306 E HA -0.205 4.146 4.350 0.001 0.000 0.200 306 E C 0.070 176.838 176.600 0.280 0.000 1.010 306 E CA 1.219 57.735 56.400 0.194 0.000 0.841 306 E CB 0.136 29.878 29.700 0.069 0.000 0.757 306 E HN 0.570 nan 8.360 nan 0.000 0.508 307 K N -0.382 120.282 120.400 0.439 0.000 2.397 307 K HA 0.060 4.381 4.320 0.001 0.000 0.202 307 K C 1.222 177.911 176.600 0.149 0.000 1.022 307 K CA -0.305 56.088 56.287 0.176 0.000 1.141 307 K CB 0.019 32.533 32.500 0.023 0.000 0.857 307 K HN 0.041 nan 8.250 nan 0.000 0.514 308 F N 2.801 122.763 119.950 0.021 0.000 2.069 308 F HA -0.273 4.254 4.527 0.001 0.000 0.298 308 F C 2.375 178.152 175.800 -0.038 0.000 1.113 308 F CA 1.895 59.873 58.000 -0.037 0.000 1.214 308 F CB -0.649 38.325 39.000 -0.044 0.000 0.978 308 F HN 0.051 nan 8.300 nan 0.000 0.474 309 S N -0.421 115.226 115.700 -0.088 0.000 2.370 309 S HA -0.268 4.203 4.470 0.001 0.000 0.226 309 S C 1.990 176.506 174.600 -0.139 0.000 1.033 309 S CA 1.323 59.402 58.200 -0.202 0.000 1.011 309 S CB -0.863 62.294 63.200 -0.071 0.000 0.852 309 S HN 0.509 nan 8.310 nan 0.000 0.457 310 E N 1.445 121.613 120.200 -0.053 0.000 2.077 310 E HA -0.078 4.272 4.350 0.001 0.000 0.193 310 E C 1.866 178.431 176.600 -0.058 0.000 0.989 310 E CA 1.418 57.794 56.400 -0.039 0.000 0.800 310 E CB -0.644 29.053 29.700 -0.005 0.000 0.746 310 E HN 0.408 nan 8.360 nan 0.000 0.452 311 V N 0.755 120.633 119.914 -0.059 0.000 2.407 311 V HA -0.246 3.874 4.120 0.001 0.000 0.248 311 V C 2.460 178.496 176.094 -0.097 0.000 1.055 311 V CA 1.661 63.926 62.300 -0.057 0.000 1.049 311 V CB -0.519 31.296 31.823 -0.013 0.000 0.662 311 V HN 0.306 nan 8.190 nan 0.000 0.455 312 L N -0.664 120.451 121.223 -0.181 0.000 2.046 312 L HA -0.151 4.189 4.340 0.001 0.000 0.208 312 L C 2.744 179.534 176.870 -0.132 0.000 1.077 312 L CA 1.419 56.133 54.840 -0.211 0.000 0.747 312 L CB -0.542 41.298 42.059 -0.364 0.000 0.896 312 L HN 0.210 nan 8.230 nan 0.000 0.432 313 K N 0.377 120.713 120.400 -0.107 0.000 2.057 313 K HA -0.089 4.232 4.320 0.001 0.000 0.206 313 K C 2.177 178.748 176.600 -0.048 0.000 1.050 313 K CA 1.287 57.535 56.287 -0.065 0.000 0.935 313 K CB -0.174 32.300 32.500 -0.043 0.000 0.715 313 K HN 0.303 nan 8.250 nan 0.000 0.439 314 R N 0.021 120.494 120.500 -0.046 0.000 2.120 314 R HA -0.077 4.264 4.340 0.001 0.000 0.234 314 R C 1.986 178.259 176.300 -0.045 0.000 1.123 314 R CA 1.779 57.858 56.100 -0.034 0.000 0.975 314 R CB -0.488 29.794 30.300 -0.030 0.000 0.866 314 R HN 0.305 nan 8.270 nan 0.000 0.446 315 T N -2.287 112.229 114.554 -0.062 0.000 3.081 315 T HA 0.148 4.498 4.350 0.001 0.000 0.250 315 T C 0.506 175.148 174.700 -0.097 0.000 1.100 315 T CA -0.359 61.695 62.100 -0.076 0.000 1.038 315 T CB 0.037 68.861 68.868 -0.073 0.000 0.962 315 T HN 0.206 nan 8.240 nan 0.000 0.516 316 R N 0.542 120.991 120.500 -0.086 0.000 3.423 316 R HA -0.092 4.248 4.340 0.001 0.000 0.271 316 R C -0.855 175.385 176.300 -0.100 0.000 1.093 316 R CA 0.229 56.275 56.100 -0.090 0.000 0.730 316 R CB -2.446 27.782 30.300 -0.120 0.000 1.190 316 R HN 0.501 nan 8.270 nan 0.000 0.437 317 L N 0.072 121.238 121.223 -0.095 0.000 2.333 317 L HA 0.464 4.804 4.340 0.001 0.000 0.269 317 L C 0.298 177.116 176.870 -0.086 0.000 1.010 317 L CA -0.779 54.008 54.840 -0.087 0.000 0.818 317 L CB 1.968 43.978 42.059 -0.081 0.000 1.306 317 L HN 0.148 nan 8.230 nan 0.000 0.430 318 Q N 2.750 122.514 119.800 -0.059 0.000 2.342 318 Q HA 0.425 4.766 4.340 0.001 0.000 0.267 318 Q C -1.373 174.623 176.000 -0.008 0.000 1.038 318 Q CA -0.879 54.898 55.803 -0.043 0.000 0.832 318 Q CB 2.364 31.090 28.738 -0.021 0.000 1.323 318 Q HN 0.610 nan 8.270 nan 0.000 0.448 319 K N 3.071 123.475 120.400 0.007 0.000 2.164 319 K HA 0.639 4.960 4.320 0.001 0.000 0.258 319 K C -0.882 175.808 176.600 0.150 0.000 0.951 319 K CA -0.734 55.623 56.287 0.116 0.000 0.844 319 K CB 2.065 34.648 32.500 0.139 0.000 1.099 319 K HN 0.561 nan 8.250 nan 0.000 0.435 320 R N 1.006 121.601 120.500 0.159 0.000 2.855 320 R HA 0.396 4.737 4.340 0.001 0.000 0.266 320 R C -0.057 176.218 176.300 -0.041 0.000 1.034 320 R CA -1.098 55.044 56.100 0.069 0.000 0.944 320 R CB 1.917 32.260 30.300 0.072 0.000 1.219 320 R HN 0.895 nan 8.270 nan 0.000 0.474 321 G N -0.471 108.205 108.800 -0.206 0.000 2.651 321 G HA2 0.081 4.042 3.960 0.001 0.000 0.260 321 G HA3 0.081 4.042 3.960 0.001 0.000 0.260 321 G C 0.577 175.331 174.900 -0.243 0.000 1.216 321 G CA -0.344 44.543 45.100 -0.356 0.000 0.913 321 G HN 0.506 nan 8.290 nan 0.000 0.535 322 T N 0.205 114.568 114.554 -0.319 0.000 2.881 322 T HA -0.042 4.308 4.350 0.001 0.000 0.270 322 T C 2.013 176.657 174.700 -0.093 0.000 1.068 322 T CA 1.435 63.330 62.100 -0.341 0.000 1.131 322 T CB -0.037 68.635 68.868 -0.326 0.000 0.871 322 T HN 0.620 nan 8.240 nan 0.000 0.479 323 G N 0.222 108.997 108.800 -0.041 0.000 3.523 323 G HA2 0.525 4.486 3.960 0.001 0.000 0.270 323 G HA3 0.525 4.486 3.960 0.001 0.000 0.270 323 G C 0.509 175.467 174.900 0.096 0.000 1.134 323 G CA 0.041 45.180 45.100 0.065 0.000 0.825 323 G HN 0.780 nan 8.290 nan 0.000 0.534 324 G N -1.257 107.601 108.800 0.095 0.000 2.479 324 G HA2 -0.013 3.947 3.960 0.001 0.000 0.686 324 G HA3 -0.013 3.947 3.960 0.001 0.000 0.686 324 G C 0.695 175.643 174.900 0.080 0.000 1.295 324 G CA -0.097 45.078 45.100 0.126 0.000 0.922 324 G HN 0.793 nan 8.290 nan 0.000 0.582 325 V N -0.266 119.724 119.914 0.127 0.000 2.546 325 V HA -0.079 4.042 4.120 0.001 0.000 0.254 325 V C 1.839 178.107 176.094 0.290 0.000 1.076 325 V CA 3.105 65.498 62.300 0.154 0.000 1.087 325 V CB -0.332 31.565 31.823 0.124 0.000 0.674 325 V HN 0.652 nan 8.190 nan 0.000 0.470 326 D N 0.321 120.873 120.400 0.254 0.000 2.325 326 D HA 0.160 4.801 4.640 0.001 0.000 0.225 326 D C 0.738 177.193 176.300 0.258 0.000 1.096 326 D CA 0.837 55.035 54.000 0.329 0.000 0.844 326 D CB 0.179 41.106 40.800 0.212 0.000 0.925 326 D HN 0.766 nan 8.370 nan 0.000 0.513 327 T N -3.230 111.311 114.554 -0.022 0.000 2.901 327 T HA 0.781 5.132 4.350 0.001 0.000 0.293 327 T C -0.008 174.145 174.700 -0.912 0.000 1.084 327 T CA -0.987 60.969 62.100 -0.240 0.000 1.008 327 T CB 2.297 71.084 68.868 -0.135 0.000 1.170 327 T HN -0.097 nan 8.240 nan 0.000 0.509 328 A N 0.852 123.266 122.820 -0.678 0.000 2.272 328 A HA 0.815 5.136 4.320 0.001 0.000 0.275 328 A C 0.696 177.984 177.584 -0.493 0.000 1.096 328 A CA -0.458 51.168 52.037 -0.686 0.000 0.822 328 A CB -0.329 18.550 19.000 -0.201 0.000 1.088 328 A HN 1.546 nan 8.150 nan 0.000 0.495 329 A N 0.063 122.567 122.820 -0.527 0.000 2.366 329 A HA 0.550 4.870 4.320 0.001 0.000 0.272 329 A C -0.302 177.043 177.584 -0.397 0.000 1.135 329 A CA -0.220 51.419 52.037 -0.662 0.000 0.804 329 A CB -0.001 18.152 19.000 -1.412 0.000 1.064 329 A HN 1.000 nan 8.150 nan 0.000 0.499 330 V N 1.758 121.482 119.914 -0.317 0.000 2.555 330 V HA 0.641 4.762 4.120 0.001 0.000 0.302 330 V C 1.160 177.156 176.094 -0.163 0.000 1.038 330 V CA 0.474 62.657 62.300 -0.194 0.000 0.887 330 V CB 1.213 32.947 31.823 -0.147 0.000 0.991 330 V HN 1.905 nan 8.190 nan 0.000 0.434 331 G N 3.655 112.388 108.800 -0.112 0.000 2.203 331 G HA2 -0.253 3.707 3.960 0.001 0.000 0.263 331 G HA3 -0.253 3.707 3.960 0.001 0.000 0.263 331 G C 0.468 175.324 174.900 -0.073 0.000 1.012 331 G CA 0.569 45.618 45.100 -0.084 0.000 0.749 331 G HN 1.549 nan 8.290 nan 0.000 0.512 332 S N -2.079 113.576 115.700 -0.074 0.000 3.672 332 S HA -0.212 4.259 4.470 0.001 0.000 0.319 332 S C 0.486 175.116 174.600 0.050 0.000 1.151 332 S CA 1.158 59.369 58.200 0.018 0.000 0.911 332 S CB -1.558 61.656 63.200 0.024 0.000 0.939 332 S HN 1.127 nan 8.310 nan 0.000 0.524 333 I N 1.707 122.209 120.570 -0.114 0.000 2.330 333 I HA 0.408 4.579 4.170 0.001 0.000 0.286 333 I C -0.245 175.747 176.117 -0.208 0.000 1.025 333 I CA -0.507 60.734 61.300 -0.099 0.000 1.197 333 I CB 0.667 38.558 38.000 -0.182 0.000 1.358 333 I HN 0.114 nan 8.210 nan 0.000 0.467 334 Y N 3.524 123.793 120.300 -0.053 0.000 2.387 334 Y HA 0.256 4.807 4.550 0.001 0.000 0.330 334 Y C 0.428 176.362 175.900 0.057 0.000 1.133 334 Y CA -0.775 57.326 58.100 0.001 0.000 1.152 334 Y CB 1.041 39.565 38.460 0.107 0.000 1.215 334 Y HN 0.429 nan 8.280 nan 0.000 0.466 335 D N 3.391 123.923 120.400 0.221 0.000 2.380 335 D HA 0.197 4.837 4.640 0.001 0.000 0.230 335 D C -1.027 175.391 176.300 0.197 0.000 1.154 335 D CA -0.057 54.103 54.000 0.266 0.000 0.859 335 D CB 0.287 41.218 40.800 0.217 0.000 1.045 335 D HN 0.269 nan 8.370 nan 0.000 0.495 336 I N 3.368 124.032 120.570 0.156 0.000 2.362 336 I HA 0.279 4.450 4.170 0.001 0.000 0.289 336 I C 0.374 176.508 176.117 0.028 0.000 0.994 336 I CA -0.537 60.819 61.300 0.093 0.000 1.158 336 I CB 0.830 38.887 38.000 0.095 0.000 1.315 336 I HN 0.433 nan 8.210 nan 0.000 0.451 337 S N 5.411 121.111 115.700 -0.000 0.000 2.638 337 S HA 0.511 4.981 4.470 0.001 0.000 0.274 337 S C -0.778 173.788 174.600 -0.057 0.000 1.157 337 S CA -1.053 57.124 58.200 -0.038 0.000 0.826 337 S CB 2.097 65.276 63.200 -0.035 0.000 1.139 337 S HN 0.607 nan 8.310 nan 0.000 0.474 338 N N 0.475 119.126 118.700 -0.081 0.000 2.483 338 N HA 0.243 4.984 4.740 0.001 0.000 0.264 338 N C 0.821 176.292 175.510 -0.064 0.000 1.197 338 N CA 0.056 53.050 53.050 -0.093 0.000 0.927 338 N CB 1.259 39.677 38.487 -0.116 0.000 1.065 338 N HN 0.839 nan 8.380 nan 0.000 0.461 339 A N 1.716 124.497 122.820 -0.065 0.000 2.081 339 A HA 0.043 4.364 4.320 0.001 0.000 0.214 339 A C -0.032 177.523 177.584 -0.048 0.000 1.158 339 A CA 0.476 52.482 52.037 -0.052 0.000 0.724 339 A CB 0.126 19.094 19.000 -0.053 0.000 0.826 339 A HN 0.701 nan 8.150 nan 0.000 0.463 340 D N -0.873 119.520 120.400 -0.011 0.000 2.278 340 D HA 0.472 5.112 4.640 0.001 0.000 0.245 340 D C 0.392 176.812 176.300 0.201 0.000 1.052 340 D CA -0.380 53.682 54.000 0.102 0.000 0.834 340 D CB 1.317 42.222 40.800 0.176 0.000 1.194 340 D HN 0.192 nan 8.370 nan 0.000 0.481 341 R N 0.869 121.574 120.500 0.342 0.000 2.404 341 R HA 0.306 4.647 4.340 0.001 0.000 0.237 341 R C 0.194 176.513 176.300 0.031 0.000 0.907 341 R CA -0.173 56.045 56.100 0.197 0.000 1.063 341 R CB 0.908 31.300 30.300 0.154 0.000 1.134 341 R HN 0.224 nan 8.270 nan 0.000 0.529 342 L N -0.037 121.102 121.223 -0.140 0.000 2.334 342 L HA 0.476 4.816 4.340 0.001 0.000 0.276 342 L C 0.796 177.495 176.870 -0.286 0.000 1.014 342 L CA -0.070 54.434 54.840 -0.560 0.000 0.815 342 L CB 1.994 43.306 42.059 -1.245 0.000 1.268 342 L HN 0.378 nan 8.230 nan 0.000 0.428 343 G N 1.884 110.495 108.800 -0.315 0.000 2.218 343 G HA2 -0.213 3.747 3.960 0.001 0.000 0.216 343 G HA3 -0.213 3.747 3.960 0.001 0.000 0.216 343 G C -0.330 174.104 174.900 -0.777 0.000 0.994 343 G CA -0.443 44.471 45.100 -0.311 0.000 0.637 343 G HN 0.388 nan 8.290 nan 0.000 0.505 344 F N 0.749 120.750 119.950 0.083 0.000 2.686 344 F HA 0.697 5.225 4.527 0.001 0.000 0.311 344 F C 0.560 176.415 175.800 0.092 0.000 1.128 344 F CA -0.435 57.608 58.000 0.072 0.000 0.946 344 F CB 1.360 40.395 39.000 0.057 0.000 1.336 344 F HN 0.289 nan 8.300 nan 0.000 0.457 345 S N -0.506 115.344 115.700 0.250 0.000 2.707 345 S HA 0.384 4.855 4.470 0.001 0.000 0.276 345 S C 0.576 175.313 174.600 0.229 0.000 1.179 345 S CA -0.522 57.794 58.200 0.194 0.000 0.992 345 S CB 1.307 64.584 63.200 0.128 0.000 1.030 345 S HN 0.631 nan 8.310 nan 0.000 0.554 346 E N 0.175 120.534 120.200 0.264 0.000 2.153 346 E HA -0.058 4.293 4.350 0.001 0.000 0.194 346 E C 1.847 178.537 176.600 0.150 0.000 0.988 346 E CA 0.993 57.550 56.400 0.263 0.000 0.811 346 E CB -0.579 29.402 29.700 0.469 0.000 0.746 346 E HN 0.457 nan 8.360 nan 0.000 0.466 347 V N 1.183 121.237 119.914 0.232 0.000 2.379 347 V HA -0.226 3.894 4.120 0.001 0.000 0.245 347 V C 1.927 178.024 176.094 0.005 0.000 1.044 347 V CA 1.872 64.254 62.300 0.137 0.000 1.036 347 V CB -0.445 31.514 31.823 0.227 0.000 0.664 347 V HN 0.259 nan 8.190 nan 0.000 0.453 348 E N -0.141 120.102 120.200 0.071 0.000 2.150 348 E HA -0.251 4.099 4.350 0.001 0.000 0.193 348 E C 2.281 178.848 176.600 -0.054 0.000 0.985 348 E CA 1.197 57.630 56.400 0.055 0.000 0.814 348 E CB -0.127 29.692 29.700 0.199 0.000 0.752 348 E HN 0.680 nan 8.360 nan 0.000 0.466 349 Q N 0.278 120.046 119.800 -0.053 0.000 2.083 349 Q HA -0.074 4.267 4.340 0.001 0.000 0.198 349 Q C 2.329 178.206 176.000 -0.206 0.000 0.969 349 Q CA 0.989 56.709 55.803 -0.140 0.000 0.838 349 Q CB 0.144 28.845 28.738 -0.062 0.000 0.900 349 Q HN 0.115 nan 8.270 nan 0.000 0.436 350 V N 0.848 120.587 119.914 -0.292 0.000 2.759 350 V HA -0.226 3.895 4.120 0.001 0.000 0.256 350 V C 2.064 177.981 176.094 -0.295 0.000 1.080 350 V CA 1.615 63.660 62.300 -0.424 0.000 1.101 350 V CB -0.323 30.940 31.823 -0.932 0.000 0.698 350 V HN 0.296 nan 8.190 nan 0.000 0.477 351 Q N -0.519 119.153 119.800 -0.213 0.000 2.245 351 Q HA -0.038 4.302 4.340 0.001 0.000 0.201 351 Q C 2.070 177.996 176.000 -0.123 0.000 0.955 351 Q CA 1.548 57.271 55.803 -0.133 0.000 0.870 351 Q CB -0.224 28.468 28.738 -0.076 0.000 0.945 351 Q HN 0.562 nan 8.270 nan 0.000 0.461 352 M N -1.397 118.112 119.600 -0.152 0.000 2.200 352 M HA -0.119 4.361 4.480 0.001 0.000 0.265 352 M C 1.698 177.919 176.300 -0.133 0.000 1.066 352 M CA 0.916 56.123 55.300 -0.154 0.000 1.127 352 M CB 0.185 32.653 32.600 -0.220 0.000 1.379 352 M HN 0.100 nan 8.290 nan 0.000 0.420 353 V N -0.696 119.133 119.914 -0.143 0.000 2.358 353 V HA -0.207 3.913 4.120 0.001 0.000 0.246 353 V C 2.234 178.272 176.094 -0.094 0.000 1.047 353 V CA 1.332 63.562 62.300 -0.116 0.000 1.035 353 V CB -0.640 31.105 31.823 -0.131 0.000 0.658 353 V HN 0.259 nan 8.190 nan 0.000 0.452 354 V N 0.564 120.415 119.914 -0.104 0.000 2.233 354 V HA -0.293 3.827 4.120 0.001 0.000 0.247 354 V C 2.356 178.412 176.094 -0.062 0.000 1.050 354 V CA 2.454 64.707 62.300 -0.077 0.000 1.010 354 V CB -0.738 31.038 31.823 -0.078 0.000 0.637 354 V HN 0.562 nan 8.190 nan 0.000 0.444 355 D N 0.517 120.877 120.400 -0.066 0.000 2.097 355 D HA -0.125 4.516 4.640 0.001 0.000 0.195 355 D C 2.183 178.450 176.300 -0.055 0.000 0.989 355 D CA 1.726 55.693 54.000 -0.055 0.000 0.827 355 D CB -0.814 39.953 40.800 -0.054 0.000 0.966 355 D HN 0.479 nan 8.370 nan 0.000 0.456 356 G N 0.729 109.492 108.800 -0.063 0.000 2.418 356 G HA2 -0.204 3.756 3.960 0.001 0.000 0.217 356 G HA3 -0.204 3.756 3.960 0.001 0.000 0.217 356 G C 1.863 176.738 174.900 -0.042 0.000 1.158 356 G CA 0.789 45.856 45.100 -0.055 0.000 0.771 356 G HN 0.249 nan 8.290 nan 0.000 0.545 357 V N 0.669 120.559 119.914 -0.040 0.000 2.427 357 V HA -0.128 3.992 4.120 0.001 0.000 0.248 357 V C 2.759 178.828 176.094 -0.041 0.000 1.051 357 V CA 2.133 64.418 62.300 -0.026 0.000 1.048 357 V CB -0.365 31.447 31.823 -0.019 0.000 0.666 357 V HN 0.369 nan 8.190 nan 0.000 0.456 358 K N -0.094 120.277 120.400 -0.049 0.000 2.057 358 K HA -0.182 4.139 4.320 0.001 0.000 0.207 358 K C 2.093 178.647 176.600 -0.076 0.000 1.049 358 K CA 1.409 57.658 56.287 -0.063 0.000 0.931 358 K CB -0.397 32.072 32.500 -0.052 0.000 0.714 358 K HN 0.264 nan 8.250 nan 0.000 0.440 359 L N 1.038 122.225 121.223 -0.061 0.000 2.093 359 L HA -0.085 4.256 4.340 0.001 0.000 0.208 359 L C 2.031 178.861 176.870 -0.066 0.000 1.085 359 L CA 1.582 56.386 54.840 -0.061 0.000 0.755 359 L CB -0.177 41.852 42.059 -0.049 0.000 0.904 359 L HN 0.184 nan 8.230 nan 0.000 0.435 360 M N -2.231 117.337 119.600 -0.053 0.000 2.254 360 M HA -0.144 4.336 4.480 0.001 0.000 0.265 360 M C 1.988 178.234 176.300 -0.091 0.000 1.066 360 M CA 1.122 56.398 55.300 -0.040 0.000 1.123 360 M CB -0.208 32.398 32.600 0.010 0.000 1.388 360 M HN 0.130 nan 8.290 nan 0.000 0.425 361 V N 0.286 120.114 119.914 -0.142 0.000 2.237 361 V HA -0.277 3.843 4.120 0.001 0.000 0.245 361 V C 2.153 178.068 176.094 -0.297 0.000 1.046 361 V CA 2.213 64.327 62.300 -0.309 0.000 1.007 361 V CB -0.869 30.744 31.823 -0.350 0.000 0.638 361 V HN 0.506 nan 8.190 nan 0.000 0.445 362 E N -0.365 119.715 120.200 -0.199 0.000 2.130 362 E HA -0.279 4.072 4.350 0.001 0.000 0.196 362 E C 2.223 178.748 176.600 -0.125 0.000 0.998 362 E CA 1.816 58.126 56.400 -0.150 0.000 0.806 362 E CB -0.145 29.493 29.700 -0.102 0.000 0.738 362 E HN 0.558 nan 8.360 nan 0.000 0.459 363 M N -0.164 119.370 119.600 -0.110 0.000 2.132 363 M HA -0.143 4.337 4.480 0.001 0.000 0.263 363 M C 2.301 178.552 176.300 -0.081 0.000 1.065 363 M CA 1.419 56.666 55.300 -0.088 0.000 1.122 363 M CB -0.127 32.426 32.600 -0.077 0.000 1.365 363 M HN 0.013 nan 8.290 nan 0.000 0.411 364 E N 0.962 121.112 120.200 -0.084 0.000 2.110 364 E HA -0.165 4.186 4.350 0.001 0.000 0.193 364 E C 1.705 178.274 176.600 -0.052 0.000 0.988 364 E CA 1.527 57.913 56.400 -0.023 0.000 0.804 364 E CB 0.049 29.785 29.700 0.059 0.000 0.745 364 E HN 0.332 nan 8.360 nan 0.000 0.458 365 K N -0.233 120.105 120.400 -0.103 0.000 2.057 365 K HA -0.088 4.232 4.320 0.001 0.000 0.207 365 K C 2.240 178.793 176.600 -0.079 0.000 1.049 365 K CA 0.966 57.207 56.287 -0.076 0.000 0.931 365 K CB -0.043 32.394 32.500 -0.104 0.000 0.714 365 K HN -0.001 nan 8.250 nan 0.000 0.440 366 R N 1.146 121.598 120.500 -0.079 0.000 2.088 366 R HA -0.105 4.235 4.340 0.001 0.000 0.232 366 R C 2.379 178.632 176.300 -0.078 0.000 1.136 366 R CA 1.385 57.447 56.100 -0.064 0.000 0.926 366 R CB -1.160 29.109 30.300 -0.053 0.000 0.837 366 R HN 0.237 nan 8.270 nan 0.000 0.429 367 L N 1.048 122.218 121.223 -0.089 0.000 2.081 367 L HA -0.206 4.135 4.340 0.001 0.000 0.212 367 L C 2.352 179.029 176.870 -0.320 0.000 1.080 367 L CA 1.480 56.248 54.840 -0.119 0.000 0.754 367 L CB -0.567 41.473 42.059 -0.032 0.000 0.893 367 L HN 0.303 nan 8.230 nan 0.000 0.433 368 E N 0.350 120.293 120.200 -0.429 0.000 2.118 368 E HA -0.219 4.132 4.350 0.001 0.000 0.195 368 E C 1.401 177.880 176.600 -0.201 0.000 0.992 368 E CA 1.508 57.620 56.400 -0.479 0.000 0.804 368 E CB -0.241 29.323 29.700 -0.228 0.000 0.741 368 E HN 0.530 nan 8.360 nan 0.000 0.458 369 N N -0.460 118.167 118.700 -0.122 0.000 2.449 369 N HA 0.063 4.804 4.740 0.001 0.000 0.191 369 N C 0.410 175.892 175.510 -0.046 0.000 1.161 369 N CA 0.694 53.707 53.050 -0.062 0.000 0.863 369 N CB 0.868 39.330 38.487 -0.042 0.000 0.980 369 N HN 0.241 nan 8.380 nan 0.000 0.458 370 G N 0.333 109.098 108.800 -0.058 0.000 2.221 370 G HA2 -0.341 3.620 3.960 0.001 0.000 0.265 370 G HA3 -0.341 3.620 3.960 0.001 0.000 0.265 370 G C 0.065 174.959 174.900 -0.009 0.000 1.041 370 G CA 0.318 45.404 45.100 -0.022 0.000 0.807 370 G HN 0.317 nan 8.290 nan 0.000 0.502 371 K N -0.489 119.902 120.400 -0.015 0.000 2.177 371 K HA 0.656 4.977 4.320 0.001 0.000 0.238 371 K C 0.588 177.196 176.600 0.013 0.000 1.015 371 K CA -0.306 55.978 56.287 -0.006 0.000 0.922 371 K CB 1.163 33.652 32.500 -0.018 0.000 1.127 371 K HN 0.130 nan 8.250 nan 0.000 0.469 372 S N 0.433 116.141 115.700 0.013 0.000 2.616 372 S HA 0.319 4.790 4.470 0.001 0.000 0.277 372 S C 0.652 175.252 174.600 0.000 0.000 1.234 372 S CA -0.726 57.490 58.200 0.026 0.000 1.028 372 S CB 0.375 63.588 63.200 0.022 0.000 0.988 372 S HN 0.583 nan 8.310 nan 0.000 0.522 373 I N -0.245 120.317 120.570 -0.013 0.000 4.240 373 I HA 0.387 4.557 4.170 0.001 0.000 0.331 373 I C 0.649 176.735 176.117 -0.051 0.000 1.381 373 I CA -0.195 61.072 61.300 -0.055 0.000 1.136 373 I CB 0.130 38.058 38.000 -0.120 0.000 1.137 373 I HN 0.371 nan 8.210 nan 0.000 0.411 374 D N 3.210 123.596 120.400 -0.024 0.000 2.158 374 D HA -0.237 4.404 4.640 0.001 0.000 0.197 374 D C 1.603 177.893 176.300 -0.017 0.000 0.995 374 D CA 2.134 56.125 54.000 -0.014 0.000 0.846 374 D CB -0.163 40.641 40.800 0.007 0.000 0.941 374 D HN 0.678 nan 8.370 nan 0.000 0.456 375 D N 0.500 120.890 120.400 -0.016 0.000 2.269 375 D HA -0.122 4.518 4.640 0.001 0.000 0.208 375 D C 2.074 178.361 176.300 -0.022 0.000 0.963 375 D CA 0.249 54.240 54.000 -0.015 0.000 0.864 375 D CB -0.496 40.297 40.800 -0.013 0.000 0.936 375 D HN 0.278 nan 8.370 nan 0.000 0.505 376 L N -0.724 120.480 121.223 -0.031 0.000 2.558 376 L HA 0.160 4.501 4.340 0.001 0.000 0.225 376 L C 1.036 177.883 176.870 -0.038 0.000 1.128 376 L CA -0.340 54.478 54.840 -0.037 0.000 0.868 376 L CB -0.140 41.891 42.059 -0.047 0.000 1.006 376 L HN -0.035 nan 8.230 nan 0.000 0.454 377 M N 2.809 122.388 119.600 -0.036 0.000 2.364 377 M HA 0.181 4.662 4.480 0.001 0.000 0.342 377 M C -1.998 174.287 176.300 -0.024 0.000 1.601 377 M CA -1.835 53.445 55.300 -0.033 0.000 1.156 377 M CB 0.051 32.634 32.600 -0.030 0.000 1.912 377 M HN -0.194 nan 8.290 nan 0.000 0.460 378 P HA 0.335 nan 4.420 nan 0.000 0.276 378 P C -1.231 176.061 177.300 -0.015 0.000 1.252 378 P CA -0.569 62.519 63.100 -0.020 0.000 0.802 378 P CB 0.612 32.297 31.700 -0.025 0.000 1.035 379 A N 1.380 124.195 122.820 -0.008 0.000 2.386 379 A HA 0.142 4.463 4.320 0.001 0.000 0.248 379 A C 0.534 178.118 177.584 -0.000 0.000 1.082 379 A CA -0.243 51.793 52.037 -0.001 0.000 0.789 379 A CB -0.318 18.684 19.000 0.004 0.000 1.025 379 A HN 0.574 nan 8.150 nan 0.000 0.490 380 Q N 1.223 121.026 119.800 0.005 0.000 2.257 380 Q HA 0.161 4.501 4.340 0.001 0.000 0.273 380 Q C 0.231 176.241 176.000 0.018 0.000 1.153 380 Q CA 0.728 56.536 55.803 0.007 0.000 0.922 380 Q CB -0.101 28.645 28.738 0.013 0.000 1.242 380 Q HN 0.629 nan 8.270 nan 0.000 0.409 381 K N 0.000 120.405 120.400 0.009 0.000 2.780 381 K HA 0.000 4.321 4.320 0.001 0.000 0.191 381 K CA 0.000 56.301 56.287 0.023 0.000 0.838 381 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 381 K HN 0.000 nan 8.250 nan 0.000 0.543