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 3a0h_1_C DATA FIRST_RESID 27 DATA SEQUENCE DQESSGFAWW AGNARLINLS GKLLGAHVAH AGLIVFWAGA MTLFELAHFI DATA SEQUENCE PEKPMYEQGL ILIPHIATLG WGVGPGGEVV DTFPFFVVGV VHLISSAVLG DATA SEQUENCE FGGVYHAIRG PETLEEYSSF FGYDWKDKNK MTTILGFHLI VLGIGALLLV DATA SEQUENCE AKAMFFGGLY DTWAPGGGDV RVITNPTLDP RVIFGYLLKS PFGGEGWIVS DATA SEQUENCE VNNLEDVVGG HIWIGLICIA GGIWHILTTP FGWARRAFIW SGEAYLSYSL DATA SEQUENCE GALSMMGFIA TCFVWFNNTV YPSEFYGPTG PEASQAQAMT FLIRDQKLGA DATA SEQUENCE NVGSAQGPTG LGKYLMRSPT GEIIFGGETM RFWDFRGPWL EPLRGPNGLD DATA SEQUENCE LNKIKNDIQP WQERRAAEYM THAPLGSLNS VGGVATEINS VNFVSPRSWL DATA SEQUENCE ATSHFVLAFF FLVGHLWHAG RARAAAAGFE KGIDRESEPV LSMPSLD 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.310 176.300 0.016 0.000 2.045 27 D CA 0.000 54.012 54.000 0.021 0.000 0.868 27 D CB 0.000 40.815 40.800 0.025 0.000 0.688 28 Q N 0.724 120.535 119.800 0.019 0.000 2.286 28 Q HA 0.341 4.680 4.340 -0.000 0.000 0.169 28 Q C 1.170 177.184 176.000 0.023 0.000 1.082 28 Q CA -0.336 55.477 55.803 0.017 0.000 1.101 28 Q CB 0.327 29.075 28.738 0.016 0.000 1.877 28 Q HN 0.433 nan 8.270 nan 0.000 0.561 29 E N 0.229 120.444 120.200 0.024 0.000 1.997 29 E HA -0.051 4.298 4.350 -0.000 0.000 0.196 29 E C 0.034 176.651 176.600 0.027 0.000 0.990 29 E CA 0.546 56.963 56.400 0.029 0.000 0.845 29 E CB -0.570 29.150 29.700 0.032 0.000 0.795 29 E HN 0.392 nan 8.360 nan 0.000 0.479 30 S N -0.153 115.559 115.700 0.021 0.000 2.561 30 S HA -0.023 4.446 4.470 -0.000 0.000 0.294 30 S C 0.344 174.953 174.600 0.015 0.000 1.294 30 S CA 1.169 59.376 58.200 0.012 0.000 1.055 30 S CB -0.057 63.149 63.200 0.011 0.000 0.819 30 S HN 0.434 nan 8.310 nan 0.000 0.503 31 S N 1.141 116.844 115.700 0.005 0.000 3.576 31 S HA -0.096 4.374 4.470 -0.000 0.000 0.294 31 S C 0.037 174.665 174.600 0.047 0.000 1.224 31 S CA 0.798 59.006 58.200 0.013 0.000 0.866 31 S CB -1.497 61.715 63.200 0.020 0.000 1.017 31 S HN 1.372 nan 8.310 nan 0.000 0.597 32 G N -0.884 107.948 108.800 0.053 0.000 2.731 32 G HA2 0.701 4.660 3.960 -0.000 0.000 0.309 32 G HA3 0.701 4.660 3.960 -0.000 0.000 0.309 32 G C -0.967 174.030 174.900 0.162 0.000 1.273 32 G CA -0.610 44.601 45.100 0.186 0.000 0.798 32 G HN 0.152 nan 8.290 nan 0.000 0.509 33 F N 0.276 120.124 119.950 -0.169 0.000 2.456 33 F HA 0.831 5.358 4.527 -0.000 0.000 0.364 33 F C 1.205 176.809 175.800 -0.327 0.000 1.092 33 F CA -0.430 57.410 58.000 -0.266 0.000 1.125 33 F CB 0.415 39.183 39.000 -0.386 0.000 1.543 33 F HN 0.619 nan 8.300 nan 0.000 0.504 34 A N 0.781 123.376 122.820 -0.375 0.000 2.275 34 A HA 0.241 4.561 4.320 -0.000 0.000 0.282 34 A C 0.903 178.156 177.584 -0.553 0.000 1.275 34 A CA -0.141 51.628 52.037 -0.447 0.000 0.842 34 A CB -0.380 18.312 19.000 -0.513 0.000 1.280 34 A HN 0.918 nan 8.150 nan 0.000 0.508 35 W N -0.226 120.822 121.300 -0.421 0.000 2.409 35 W HA -0.130 4.530 4.660 -0.000 0.000 0.299 35 W C 1.791 178.131 176.519 -0.299 0.000 1.203 35 W CA 1.402 58.588 57.345 -0.265 0.000 1.298 35 W CB -1.077 28.341 29.460 -0.070 0.000 1.127 35 W HN 0.853 nan 8.180 nan 0.000 0.528 36 W N 1.272 121.985 121.300 -0.978 0.000 2.392 36 W HA 0.210 4.870 4.660 -0.000 0.000 0.279 36 W C 1.375 177.695 176.519 -0.332 0.000 1.225 36 W CA 1.134 57.944 57.345 -0.892 0.000 1.233 36 W CB -1.562 27.206 29.460 -1.154 0.000 1.122 36 W HN 0.004 nan 8.180 nan 0.000 0.561 37 A N 1.648 123.837 122.820 -1.051 0.000 2.684 37 A HA 0.485 4.805 4.320 -0.000 0.000 0.288 37 A C 1.942 179.214 177.584 -0.519 0.000 1.337 37 A CA 0.383 52.026 52.037 -0.657 0.000 0.946 37 A CB -1.027 17.400 19.000 -0.955 0.000 1.093 37 A HN 0.249 nan 8.150 nan 0.000 0.543 38 G N 1.628 110.221 108.800 -0.346 0.000 2.672 38 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.218 38 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.218 38 G C 1.171 175.905 174.900 -0.277 0.000 1.238 38 G CA 1.394 46.359 45.100 -0.224 0.000 0.791 38 G HN 0.736 nan 8.290 nan 0.000 0.606 39 N N 1.326 119.880 118.700 -0.243 0.000 2.659 39 N HA 0.041 4.781 4.740 -0.000 0.000 0.194 39 N C 2.165 177.445 175.510 -0.383 0.000 1.140 39 N CA 0.337 53.235 53.050 -0.253 0.000 0.936 39 N CB -0.078 38.293 38.487 -0.193 0.000 0.970 39 N HN 0.424 nan 8.380 nan 0.000 0.449 40 A N 1.279 123.711 122.820 -0.647 0.000 1.929 40 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 40 A C 2.062 179.134 177.584 -0.852 0.000 1.176 40 A CA 0.743 52.132 52.037 -1.081 0.000 0.628 40 A CB -0.115 17.447 19.000 -2.397 0.000 0.816 40 A HN 0.170 nan 8.150 nan 0.000 0.444 41 R N -1.101 119.054 120.500 -0.576 0.000 2.357 41 R HA 0.043 4.382 4.340 -0.000 0.000 0.202 41 R C 1.283 177.516 176.300 -0.113 0.000 1.047 41 R CA 0.488 56.466 56.100 -0.203 0.000 1.034 41 R CB -0.208 30.042 30.300 -0.084 0.000 0.875 41 R HN 0.467 nan 8.270 nan 0.000 0.473 42 L N -0.170 120.962 121.223 -0.152 0.000 2.607 42 L HA 0.163 4.503 4.340 -0.000 0.000 0.228 42 L C 1.115 178.005 176.870 0.033 0.000 1.123 42 L CA 0.767 55.581 54.840 -0.043 0.000 0.890 42 L CB 0.365 42.389 42.059 -0.059 0.000 1.103 42 L HN 0.112 nan 8.230 nan 0.000 0.468 43 I N 0.030 120.566 120.570 -0.057 0.000 3.861 43 I HA 0.099 4.269 4.170 -0.000 0.000 0.329 43 I C 0.048 176.210 176.117 0.075 0.000 1.321 43 I CA 0.085 61.366 61.300 -0.031 0.000 1.126 43 I CB -0.234 37.618 38.000 -0.246 0.000 1.018 43 I HN 0.318 nan 8.210 nan 0.000 0.407 44 N N 1.654 120.416 118.700 0.103 0.000 2.372 44 N HA 0.283 5.022 4.740 -0.000 0.000 0.291 44 N C 0.386 175.989 175.510 0.155 0.000 1.024 44 N CA -0.278 52.844 53.050 0.122 0.000 0.873 44 N CB 2.112 40.655 38.487 0.093 0.000 1.206 44 N HN 0.155 nan 8.380 nan 0.000 0.486 45 L N 0.720 122.040 121.223 0.161 0.000 7.140 45 L HA -0.311 4.029 4.340 -0.000 0.000 0.053 45 L C -0.363 176.654 176.870 0.244 0.000 1.700 45 L CA 0.882 55.820 54.840 0.164 0.000 1.567 45 L CB -1.327 40.804 42.059 0.120 0.000 2.821 45 L HN 0.539 nan 8.230 nan 0.000 1.118 46 S N -0.782 115.054 115.700 0.227 0.000 2.472 46 S HA 0.578 5.048 4.470 -0.000 0.000 0.303 46 S C 0.037 174.779 174.600 0.236 0.000 1.099 46 S CA 0.057 58.454 58.200 0.328 0.000 1.077 46 S CB 1.469 64.809 63.200 0.235 0.000 1.031 46 S HN 0.809 nan 8.310 nan 0.000 0.487 47 G N 2.727 111.695 108.800 0.280 0.000 2.305 47 G HA2 0.081 4.040 3.960 -0.000 0.000 0.243 47 G HA3 0.081 4.040 3.960 -0.000 0.000 0.243 47 G C 0.934 175.818 174.900 -0.026 0.000 1.288 47 G CA -0.192 44.990 45.100 0.137 0.000 0.901 47 G HN 0.881 nan 8.290 nan 0.000 0.516 48 K N 1.153 121.554 120.400 0.002 0.000 2.097 48 K HA -0.068 4.251 4.320 -0.000 0.000 0.206 48 K C 0.658 177.209 176.600 -0.081 0.000 1.049 48 K CA 0.651 56.918 56.287 -0.033 0.000 0.933 48 K CB -0.363 32.125 32.500 -0.020 0.000 0.717 48 K HN 0.366 nan 8.250 nan 0.000 0.442 49 L N 0.338 121.517 121.223 -0.074 0.000 2.376 49 L HA 0.314 4.653 4.340 -0.000 0.000 0.275 49 L C 0.637 177.458 176.870 -0.082 0.000 0.987 49 L CA -1.115 53.668 54.840 -0.096 0.000 0.828 49 L CB 0.763 42.779 42.059 -0.071 0.000 1.249 49 L HN 0.123 nan 8.230 nan 0.000 0.409 50 L N 2.928 124.041 121.223 -0.182 0.000 2.083 50 L HA 0.039 4.379 4.340 -0.000 0.000 0.209 50 L C 1.947 178.793 176.870 -0.039 0.000 1.083 50 L CA 1.951 56.718 54.840 -0.122 0.000 0.752 50 L CB -0.347 41.529 42.059 -0.304 0.000 0.899 50 L HN 0.816 nan 8.230 nan 0.000 0.433 51 G N 0.129 108.857 108.800 -0.120 0.000 2.545 51 G HA2 -0.423 3.536 3.960 -0.000 0.000 0.222 51 G HA3 -0.423 3.536 3.960 -0.000 0.000 0.222 51 G C 1.649 176.546 174.900 -0.005 0.000 1.126 51 G CA 1.443 46.533 45.100 -0.017 0.000 0.754 51 G HN 0.694 nan 8.290 nan 0.000 0.583 52 A N 0.955 123.748 122.820 -0.045 0.000 1.859 52 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 52 A C 2.052 179.537 177.584 -0.164 0.000 1.209 52 A CA 2.315 54.282 52.037 -0.117 0.000 0.639 52 A CB -1.137 17.734 19.000 -0.215 0.000 0.835 52 A HN 0.541 nan 8.150 nan 0.000 0.450 53 H N -1.148 117.832 119.070 -0.152 0.000 2.357 53 H HA -0.114 4.442 4.556 -0.000 0.000 0.296 53 H C 2.027 177.263 175.328 -0.153 0.000 1.108 53 H CA 1.813 57.721 56.048 -0.234 0.000 1.273 53 H CB -0.327 29.367 29.762 -0.112 0.000 1.367 53 H HN 0.256 nan 8.280 nan 0.000 0.498 54 V N 0.496 120.459 119.914 0.082 0.000 2.323 54 V HA -0.230 3.890 4.120 -0.000 0.000 0.244 54 V C 2.602 178.768 176.094 0.120 0.000 1.041 54 V CA 1.268 63.628 62.300 0.101 0.000 1.025 54 V CB -1.082 30.790 31.823 0.083 0.000 0.656 54 V HN 0.615 nan 8.190 nan 0.000 0.451 55 A N 0.854 123.725 122.820 0.084 0.000 1.893 55 A HA -0.385 3.935 4.320 -0.000 0.000 0.222 55 A C 2.182 179.868 177.584 0.170 0.000 1.309 55 A CA 2.908 55.005 52.037 0.100 0.000 0.681 55 A CB -1.289 17.740 19.000 0.049 0.000 0.842 55 A HN 0.911 nan 8.150 nan 0.000 0.468 56 H N -2.126 116.988 119.070 0.073 0.000 2.482 56 H HA 0.414 4.970 4.556 -0.000 0.000 0.286 56 H C 1.839 177.237 175.328 0.117 0.000 1.017 56 H CA 0.728 56.829 56.048 0.088 0.000 1.322 56 H CB -0.172 29.628 29.762 0.064 0.000 1.426 56 H HN 0.432 nan 8.280 nan 0.000 0.546 57 A N 1.157 124.337 122.820 0.601 0.000 2.285 57 A HA -0.087 4.233 4.320 -0.000 0.000 0.214 57 A C 2.279 180.029 177.584 0.276 0.000 1.188 57 A CA 1.304 53.608 52.037 0.445 0.000 0.707 57 A CB -0.990 18.166 19.000 0.259 0.000 0.771 57 A HN 0.726 nan 8.150 nan 0.000 0.488 58 G N -0.857 108.102 108.800 0.265 0.000 2.645 58 G HA2 0.173 4.133 3.960 -0.000 0.000 0.207 58 G HA3 0.173 4.133 3.960 -0.000 0.000 0.207 58 G C 1.254 176.326 174.900 0.287 0.000 1.145 58 G CA 0.487 45.724 45.100 0.228 0.000 0.831 58 G HN 0.331 nan 8.290 nan 0.000 0.563 59 L N 1.772 123.156 121.223 0.269 0.000 2.043 59 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 59 L C 2.825 179.904 176.870 0.349 0.000 1.075 59 L CA 1.694 56.763 54.840 0.382 0.000 0.752 59 L CB -0.625 41.572 42.059 0.231 0.000 0.891 59 L HN 0.502 nan 8.230 nan 0.000 0.432 60 I N -3.209 117.455 120.570 0.156 0.000 2.208 60 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 60 I C 2.416 178.690 176.117 0.262 0.000 1.097 60 I CA 1.830 63.202 61.300 0.119 0.000 1.363 60 I CB -0.523 37.484 38.000 0.012 0.000 1.051 60 I HN 0.091 nan 8.210 nan 0.000 0.413 61 V N 0.613 120.684 119.914 0.262 0.000 2.788 61 V HA -0.148 3.972 4.120 -0.000 0.000 0.251 61 V C 2.261 178.540 176.094 0.308 0.000 1.068 61 V CA 1.376 63.835 62.300 0.265 0.000 1.090 61 V CB -0.429 31.478 31.823 0.140 0.000 0.710 61 V HN 0.621 nan 8.190 nan 0.000 0.467 62 F N -0.144 119.920 119.950 0.189 0.000 2.259 62 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 62 F C 1.822 177.732 175.800 0.182 0.000 1.088 62 F CA 1.754 59.850 58.000 0.160 0.000 1.358 62 F CB -0.684 38.398 39.000 0.137 0.000 1.040 62 F HN 0.376 nan 8.300 nan 0.000 0.505 63 W N 1.615 122.699 121.300 -0.359 0.000 2.363 63 W HA -0.116 4.544 4.660 -0.000 0.000 0.296 63 W C 2.304 178.633 176.519 -0.316 0.000 1.212 63 W CA 2.676 59.736 57.345 -0.476 0.000 1.260 63 W CB -0.693 28.656 29.460 -0.185 0.000 1.131 63 W HN 0.114 nan 8.180 nan 0.000 0.530 64 A N 0.632 123.394 122.820 -0.098 0.000 1.933 64 A HA -0.047 4.272 4.320 -0.000 0.000 0.218 64 A C 2.247 179.642 177.584 -0.316 0.000 1.175 64 A CA 1.977 53.855 52.037 -0.264 0.000 0.628 64 A CB -1.668 17.320 19.000 -0.019 0.000 0.814 64 A HN 0.424 nan 8.150 nan 0.000 0.444 65 G N -0.623 108.071 108.800 -0.176 0.000 2.418 65 G HA2 0.025 3.985 3.960 -0.000 0.000 0.217 65 G HA3 0.025 3.985 3.960 -0.000 0.000 0.217 65 G C 1.684 176.454 174.900 -0.218 0.000 1.158 65 G CA 1.536 46.561 45.100 -0.124 0.000 0.771 65 G HN 0.759 nan 8.290 nan 0.000 0.545 66 A N 0.581 123.135 122.820 -0.443 0.000 1.831 66 A HA 0.188 4.508 4.320 -0.000 0.000 0.213 66 A C 2.427 179.840 177.584 -0.285 0.000 1.223 66 A CA 1.654 53.482 52.037 -0.347 0.000 0.604 66 A CB -0.457 18.220 19.000 -0.538 0.000 0.878 66 A HN 0.222 nan 8.150 nan 0.000 0.450 67 M N -0.060 119.199 119.600 -0.569 0.000 2.106 67 M HA -0.157 4.323 4.480 -0.000 0.000 0.259 67 M C 2.243 178.364 176.300 -0.299 0.000 1.068 67 M CA 2.185 57.156 55.300 -0.549 0.000 1.100 67 M CB -1.607 30.335 32.600 -1.096 0.000 1.351 67 M HN 0.506 nan 8.290 nan 0.000 0.404 68 T N 1.380 115.733 114.554 -0.336 0.000 2.684 68 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 68 T C 1.985 176.655 174.700 -0.049 0.000 1.036 68 T CA 1.083 63.069 62.100 -0.190 0.000 1.148 68 T CB -0.286 68.443 68.868 -0.232 0.000 0.863 68 T HN 0.310 nan 8.240 nan 0.000 0.436 69 L N -0.317 120.888 121.223 -0.031 0.000 1.994 69 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 69 L C 2.290 179.232 176.870 0.121 0.000 1.071 69 L CA 1.589 56.480 54.840 0.085 0.000 0.745 69 L CB -0.557 41.551 42.059 0.082 0.000 0.892 69 L HN 0.244 nan 8.230 nan 0.000 0.431 70 F N 0.854 120.774 119.950 -0.050 0.000 2.120 70 F HA -0.272 4.255 4.527 -0.000 0.000 0.300 70 F C 2.560 178.352 175.800 -0.014 0.000 1.095 70 F CA 1.608 59.592 58.000 -0.026 0.000 1.249 70 F CB -0.001 38.900 39.000 -0.167 0.000 0.995 70 F HN 0.092 nan 8.300 nan 0.000 0.480 71 E N 0.522 120.847 120.200 0.208 0.000 2.007 71 E HA -0.316 4.033 4.350 -0.000 0.000 0.203 71 E C 2.289 178.963 176.600 0.123 0.000 1.020 71 E CA 1.828 58.295 56.400 0.113 0.000 0.845 71 E CB -1.027 28.672 29.700 -0.001 0.000 0.779 71 E HN 0.517 nan 8.360 nan 0.000 0.466 72 L N 0.881 122.152 121.223 0.080 0.000 2.137 72 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 72 L C 2.327 179.255 176.870 0.097 0.000 1.085 72 L CA 1.681 56.581 54.840 0.099 0.000 0.760 72 L CB -0.283 41.841 42.059 0.109 0.000 0.893 72 L HN 0.111 nan 8.230 nan 0.000 0.434 73 A N -1.308 121.564 122.820 0.085 0.000 2.131 73 A HA -0.243 4.076 4.320 -0.000 0.000 0.220 73 A C 1.413 178.924 177.584 -0.122 0.000 1.158 73 A CA 2.035 54.060 52.037 -0.020 0.000 0.665 73 A CB -0.752 18.220 19.000 -0.047 0.000 0.795 73 A HN 0.776 nan 8.150 nan 0.000 0.460 74 H N -3.886 115.104 119.070 -0.134 0.000 3.360 74 H HA 0.281 4.837 4.556 -0.000 0.000 0.262 74 H C -0.180 175.139 175.328 -0.015 0.000 1.149 74 H CA -1.007 54.979 56.048 -0.104 0.000 1.181 74 H CB 0.062 29.765 29.762 -0.098 0.000 1.564 74 H HN 0.412 nan 8.280 nan 0.000 0.565 75 F N 1.968 121.902 119.950 -0.027 0.000 2.504 75 F HA 0.327 4.853 4.527 -0.000 0.000 0.369 75 F C -0.364 175.369 175.800 -0.113 0.000 1.082 75 F CA -1.029 56.917 58.000 -0.091 0.000 1.216 75 F CB 0.120 39.018 39.000 -0.171 0.000 1.108 75 F HN -0.158 nan 8.300 nan 0.000 0.554 76 I N 8.986 129.005 120.570 -0.918 0.000 2.525 76 I HA 0.345 4.515 4.170 -0.000 0.000 0.301 76 I C -1.471 173.846 176.117 -1.334 0.000 0.992 76 I CA -2.604 58.220 61.300 -0.795 0.000 1.162 76 I CB 1.719 39.481 38.000 -0.397 0.000 1.332 76 I HN 0.408 nan 8.210 nan 0.000 0.458 77 P HA -0.098 nan 4.420 nan 0.000 0.220 77 P C 0.673 177.811 177.300 -0.270 0.000 1.152 77 P CA 1.214 63.982 63.100 -0.553 0.000 0.812 77 P CB 0.313 31.876 31.700 -0.229 0.000 0.792 78 E N 1.437 121.500 120.200 -0.228 0.000 2.016 78 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 78 E C 0.942 177.475 176.600 -0.111 0.000 0.985 78 E CA 0.514 56.841 56.400 -0.121 0.000 0.802 78 E CB -1.229 28.414 29.700 -0.095 0.000 0.762 78 E HN 0.170 nan 8.360 nan 0.000 0.448 79 K N 2.914 123.230 120.400 -0.140 0.000 2.477 79 K HA -0.008 4.311 4.320 -0.000 0.000 0.275 79 K C -2.282 174.262 176.600 -0.092 0.000 1.054 79 K CA -1.004 55.226 56.287 -0.096 0.000 1.135 79 K CB 0.035 32.484 32.500 -0.085 0.000 0.854 79 K HN -0.089 nan 8.250 nan 0.000 0.484 80 P HA -0.171 nan 4.420 nan 0.000 0.257 80 P C 0.649 177.744 177.300 -0.343 0.000 1.162 80 P CA 0.486 63.363 63.100 -0.371 0.000 0.762 80 P CB 0.428 31.696 31.700 -0.720 0.000 0.753 81 M N 5.113 124.640 119.600 -0.121 0.000 2.153 81 M HA -0.302 4.178 4.480 -0.000 0.000 0.253 81 M C 1.178 177.495 176.300 0.028 0.000 1.081 81 M CA 2.193 57.515 55.300 0.037 0.000 1.076 81 M CB -0.411 32.215 32.600 0.043 0.000 1.350 81 M HN 0.424 nan 8.290 nan 0.000 0.401 82 Y N -1.381 119.047 120.300 0.214 0.000 2.516 82 Y HA 0.149 4.699 4.550 -0.000 0.000 0.291 82 Y C 1.660 177.805 175.900 0.408 0.000 1.131 82 Y CA 0.603 58.862 58.100 0.265 0.000 1.281 82 Y CB -1.227 37.423 38.460 0.316 0.000 1.013 82 Y HN 0.317 nan 8.280 nan 0.000 0.554 83 E N 0.693 121.111 120.200 0.364 0.000 2.358 83 E HA -0.067 4.283 4.350 -0.000 0.000 0.195 83 E C 0.133 176.934 176.600 0.335 0.000 1.010 83 E CA 0.484 57.213 56.400 0.548 0.000 0.856 83 E CB 0.019 29.896 29.700 0.294 0.000 0.795 83 E HN 0.682 nan 8.360 nan 0.000 0.504 84 Q N 0.158 120.089 119.800 0.218 0.000 2.721 84 Q HA 0.253 4.593 4.340 -0.000 0.000 0.257 84 Q C -0.007 176.075 176.000 0.138 0.000 1.070 84 Q CA -0.413 55.493 55.803 0.170 0.000 0.910 84 Q CB 1.233 30.072 28.738 0.168 0.000 1.163 84 Q HN 0.131 nan 8.270 nan 0.000 0.501 85 G N 2.504 111.370 108.800 0.110 0.000 2.121 85 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.254 85 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.254 85 G C -0.082 174.825 174.900 0.013 0.000 0.763 85 G CA 0.528 45.643 45.100 0.024 0.000 1.006 85 G HN 0.523 nan 8.290 nan 0.000 0.415 86 L N 1.101 122.354 121.223 0.049 0.000 2.287 86 L HA 0.347 4.687 4.340 -0.000 0.000 0.280 86 L C 1.757 178.635 176.870 0.013 0.000 1.055 86 L CA -0.822 54.017 54.840 -0.001 0.000 0.863 86 L CB 0.631 42.655 42.059 -0.059 0.000 1.245 86 L HN 0.443 nan 8.230 nan 0.000 0.432 87 I N 0.081 120.683 120.570 0.053 0.000 2.512 87 I HA -0.077 4.093 4.170 -0.000 0.000 0.247 87 I C 1.879 178.152 176.117 0.259 0.000 1.094 87 I CA 0.316 61.726 61.300 0.184 0.000 1.427 87 I CB -0.076 38.066 38.000 0.236 0.000 1.149 87 I HN 0.414 nan 8.210 nan 0.000 0.438 88 L N 1.516 122.832 121.223 0.153 0.000 1.994 88 L HA -0.109 4.230 4.340 -0.000 0.000 0.208 88 L C 2.666 179.647 176.870 0.184 0.000 1.071 88 L CA 2.016 56.957 54.840 0.170 0.000 0.745 88 L CB -0.700 41.303 42.059 -0.094 0.000 0.892 88 L HN 0.322 nan 8.230 nan 0.000 0.431 89 I N 0.792 121.381 120.570 0.031 0.000 2.194 89 I HA -0.245 3.924 4.170 -0.000 0.000 0.246 89 I C -0.345 175.781 176.117 0.015 0.000 1.093 89 I CA 1.410 62.746 61.300 0.060 0.000 1.355 89 I CB -1.300 36.571 38.000 -0.216 0.000 1.046 89 I HN 0.236 nan 8.210 nan 0.000 0.413 90 P HA -0.188 nan 4.420 nan 0.000 0.221 90 P C 0.943 177.989 177.300 -0.423 0.000 1.145 90 P CA 1.785 64.584 63.100 -0.501 0.000 0.795 90 P CB -0.316 30.884 31.700 -0.833 0.000 0.775 91 H N -0.654 118.385 119.070 -0.050 0.000 2.395 91 H HA -0.012 4.544 4.556 -0.000 0.000 0.299 91 H C 1.970 177.285 175.328 -0.023 0.000 1.070 91 H CA 0.869 56.943 56.048 0.043 0.000 1.356 91 H CB -0.726 29.088 29.762 0.086 0.000 1.401 91 H HN 0.070 nan 8.280 nan 0.000 0.524 92 I N 0.966 121.520 120.570 -0.027 0.000 2.179 92 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 92 I C 2.610 178.645 176.117 -0.138 0.000 1.088 92 I CA 1.357 62.547 61.300 -0.183 0.000 1.357 92 I CB -0.950 36.614 38.000 -0.728 0.000 1.051 92 I HN 0.287 nan 8.210 nan 0.000 0.409 93 A N 0.612 123.268 122.820 -0.273 0.000 1.892 93 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 93 A C 2.454 179.978 177.584 -0.101 0.000 1.188 93 A CA 2.925 54.749 52.037 -0.355 0.000 0.631 93 A CB -1.663 16.596 19.000 -1.234 0.000 0.822 93 A HN 0.551 nan 8.150 nan 0.000 0.447 94 T N -1.641 112.908 114.554 -0.007 0.000 2.946 94 T HA -0.053 4.297 4.350 -0.000 0.000 0.271 94 T C 1.364 176.198 174.700 0.222 0.000 1.104 94 T CA 1.494 63.761 62.100 0.279 0.000 1.114 94 T CB -0.424 68.604 68.868 0.267 0.000 0.867 94 T HN 0.303 nan 8.240 nan 0.000 0.513 95 L N 0.218 121.536 121.223 0.158 0.000 2.592 95 L HA 0.419 4.758 4.340 -0.000 0.000 0.227 95 L C 2.064 178.927 176.870 -0.012 0.000 1.127 95 L CA 0.411 55.315 54.840 0.106 0.000 0.884 95 L CB -0.088 42.103 42.059 0.221 0.000 1.065 95 L HN 0.584 nan 8.230 nan 0.000 0.457 96 G N -1.819 107.028 108.800 0.079 0.000 2.195 96 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.224 96 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.224 96 G C -0.008 174.882 174.900 -0.016 0.000 0.990 96 G CA -0.665 44.443 45.100 0.014 0.000 0.639 96 G HN 0.115 nan 8.290 nan 0.000 0.514 97 W N 1.193 122.477 121.300 -0.027 0.000 2.272 97 W HA 0.478 5.137 4.660 -0.000 0.000 0.318 97 W C 1.302 177.781 176.519 -0.067 0.000 1.255 97 W CA 1.040 58.328 57.345 -0.096 0.000 1.200 97 W CB 0.850 30.159 29.460 -0.252 0.000 1.170 97 W HN 1.212 nan 8.180 nan 0.000 0.549 98 G N 2.020 111.027 108.800 0.345 0.000 2.341 98 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.292 98 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.292 98 G C 0.160 175.291 174.900 0.384 0.000 1.021 98 G CA 0.549 45.894 45.100 0.408 0.000 0.905 98 G HN 0.376 nan 8.290 nan 0.000 0.508 99 V N -1.222 118.873 119.914 0.301 0.000 4.197 99 V HA 0.789 4.909 4.120 -0.000 0.000 0.176 99 V C 2.284 178.553 176.094 0.291 0.000 1.208 99 V CA 1.356 63.853 62.300 0.329 0.000 1.306 99 V CB -0.498 31.589 31.823 0.441 0.000 1.585 99 V HN 2.070 nan 8.190 nan 0.000 0.552 100 G N 1.192 110.151 108.800 0.265 0.000 2.569 100 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.259 100 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.259 100 G C -2.636 172.354 174.900 0.150 0.000 1.263 100 G CA -0.231 44.965 45.100 0.161 0.000 0.928 100 G HN 0.499 nan 8.290 nan 0.000 0.572 101 P HA 0.288 nan 4.420 nan 0.000 0.264 101 P C 1.102 178.476 177.300 0.123 0.000 1.156 101 P CA 2.415 65.550 63.100 0.059 0.000 0.756 101 P CB -0.226 31.500 31.700 0.044 0.000 0.764 102 G N 3.268 112.126 108.800 0.096 0.000 2.707 102 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.279 102 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.279 102 G C 1.045 176.180 174.900 0.392 0.000 1.345 102 G CA -0.157 45.050 45.100 0.179 0.000 0.912 102 G HN 0.747 nan 8.290 nan 0.000 0.563 103 G N -0.652 108.379 108.800 0.385 0.000 3.181 103 G HA2 0.356 4.315 3.960 -0.000 0.000 0.219 103 G HA3 0.356 4.315 3.960 -0.000 0.000 0.219 103 G C 0.558 175.733 174.900 0.457 0.000 1.182 103 G CA 0.786 46.175 45.100 0.483 0.000 0.791 103 G HN 0.750 nan 8.290 nan 0.000 0.537 104 E N 0.746 121.134 120.200 0.314 0.000 2.413 104 E HA 0.172 4.522 4.350 -0.000 0.000 0.263 104 E C -0.014 176.735 176.600 0.249 0.000 1.015 104 E CA -0.129 56.410 56.400 0.231 0.000 0.916 104 E CB 1.449 31.243 29.700 0.157 0.000 0.947 104 E HN 0.104 nan 8.360 nan 0.000 0.440 105 V N 3.432 123.477 119.914 0.219 0.000 2.383 105 V HA 0.190 4.309 4.120 -0.000 0.000 0.275 105 V C 0.620 176.826 176.094 0.186 0.000 1.036 105 V CA -0.319 62.115 62.300 0.224 0.000 0.889 105 V CB 1.164 33.142 31.823 0.258 0.000 0.985 105 V HN 0.548 nan 8.190 nan 0.000 0.459 106 V N 1.320 121.352 119.914 0.197 0.000 3.085 106 V HA 0.422 4.542 4.120 -0.000 0.000 0.245 106 V C 0.642 176.842 176.094 0.176 0.000 1.114 106 V CA 0.594 62.988 62.300 0.158 0.000 1.108 106 V CB -0.218 31.689 31.823 0.139 0.000 0.798 106 V HN 0.780 nan 8.190 nan 0.000 0.471 107 D N 1.563 122.107 120.400 0.241 0.000 2.472 107 D HA 0.286 4.926 4.640 -0.000 0.000 0.234 107 D C 1.115 177.631 176.300 0.361 0.000 1.088 107 D CA 0.437 54.607 54.000 0.284 0.000 0.882 107 D CB 1.733 42.711 40.800 0.297 0.000 1.037 107 D HN 0.259 nan 8.370 nan 0.000 0.520 108 T N 1.533 116.259 114.554 0.287 0.000 3.007 108 T HA -0.129 4.220 4.350 -0.000 0.000 0.270 108 T C 1.649 176.537 174.700 0.314 0.000 1.107 108 T CA 0.845 63.096 62.100 0.252 0.000 1.118 108 T CB -0.250 68.697 68.868 0.132 0.000 0.889 108 T HN 0.289 nan 8.240 nan 0.000 0.506 109 F N 2.256 122.335 119.950 0.215 0.000 2.014 109 F HA 0.103 4.629 4.527 -0.000 0.000 0.295 109 F C -0.638 175.295 175.800 0.222 0.000 1.145 109 F CA 1.346 59.478 58.000 0.221 0.000 1.178 109 F CB -0.951 38.144 39.000 0.159 0.000 0.972 109 F HN 0.188 nan 8.300 nan 0.000 0.476 110 P HA -0.259 nan 4.420 nan 0.000 0.219 110 P C 1.476 178.700 177.300 -0.128 0.000 1.158 110 P CA 2.056 65.214 63.100 0.097 0.000 0.895 110 P CB -0.304 31.433 31.700 0.060 0.000 0.792 111 F N -2.160 117.764 119.950 -0.045 0.000 2.046 111 F HA -0.169 4.358 4.527 -0.000 0.000 0.297 111 F C 2.292 178.037 175.800 -0.091 0.000 1.123 111 F CA 1.365 59.297 58.000 -0.114 0.000 1.199 111 F CB -1.631 37.302 39.000 -0.112 0.000 0.972 111 F HN -0.148 nan 8.300 nan 0.000 0.474 112 F N 0.996 120.959 119.950 0.023 0.000 2.087 112 F HA -0.283 4.244 4.527 -0.000 0.000 0.299 112 F C 2.297 178.000 175.800 -0.161 0.000 1.100 112 F CA 1.420 59.351 58.000 -0.115 0.000 1.226 112 F CB -1.038 37.820 39.000 -0.236 0.000 0.983 112 F HN -0.182 nan 8.300 nan 0.000 0.479 113 V N 0.236 119.990 119.914 -0.268 0.000 2.222 113 V HA -0.420 3.700 4.120 -0.000 0.000 0.252 113 V C 2.476 178.373 176.094 -0.329 0.000 1.060 113 V CA 2.342 64.453 62.300 -0.315 0.000 1.027 113 V CB -1.330 30.426 31.823 -0.112 0.000 0.644 113 V HN 0.320 nan 8.190 nan 0.000 0.448 114 V N 0.796 120.516 119.914 -0.322 0.000 2.380 114 V HA -0.233 3.887 4.120 -0.000 0.000 0.251 114 V C 2.530 178.449 176.094 -0.290 0.000 1.063 114 V CA 2.299 64.408 62.300 -0.318 0.000 1.055 114 V CB -1.599 29.961 31.823 -0.439 0.000 0.657 114 V HN 0.638 nan 8.190 nan 0.000 0.455 115 G N -0.420 108.204 108.800 -0.294 0.000 2.396 115 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.214 115 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.214 115 G C 1.631 176.419 174.900 -0.187 0.000 1.166 115 G CA 0.922 45.876 45.100 -0.244 0.000 0.793 115 G HN 0.367 nan 8.290 nan 0.000 0.533 116 V N 0.472 120.188 119.914 -0.331 0.000 2.324 116 V HA -0.190 3.929 4.120 -0.000 0.000 0.250 116 V C 2.871 178.872 176.094 -0.155 0.000 1.060 116 V CA 1.599 63.693 62.300 -0.345 0.000 1.042 116 V CB -0.545 30.874 31.823 -0.673 0.000 0.650 116 V HN 0.226 nan 8.190 nan 0.000 0.450 117 V N -0.946 118.895 119.914 -0.122 0.000 2.270 117 V HA -0.276 3.843 4.120 -0.000 0.000 0.245 117 V C 2.384 178.517 176.094 0.064 0.000 1.043 117 V CA 2.372 64.659 62.300 -0.022 0.000 1.014 117 V CB -0.579 31.242 31.823 -0.003 0.000 0.645 117 V HN 0.609 nan 8.190 nan 0.000 0.447 118 H N -0.824 118.208 119.070 -0.063 0.000 2.265 118 H HA -0.184 4.371 4.556 -0.000 0.000 0.295 118 H C 1.863 177.213 175.328 0.037 0.000 1.084 118 H CA 2.309 58.351 56.048 -0.010 0.000 1.261 118 H CB -0.677 29.067 29.762 -0.031 0.000 1.360 118 H HN 0.290 nan 8.280 nan 0.000 0.487 119 L N 0.783 122.109 121.223 0.171 0.000 1.965 119 L HA -0.225 4.114 4.340 -0.000 0.000 0.226 119 L C 2.233 179.207 176.870 0.173 0.000 1.083 119 L CA 1.835 56.784 54.840 0.182 0.000 0.790 119 L CB -1.238 40.886 42.059 0.109 0.000 0.898 119 L HN 0.399 nan 8.230 nan 0.000 0.439 120 I N -0.649 119.980 120.570 0.098 0.000 2.151 120 I HA -0.368 3.802 4.170 -0.000 0.000 0.243 120 I C 2.723 178.890 176.117 0.083 0.000 1.080 120 I CA 1.745 63.092 61.300 0.079 0.000 1.339 120 I CB -0.644 37.379 38.000 0.038 0.000 1.039 120 I HN 0.553 nan 8.210 nan 0.000 0.409 121 S N 0.598 116.336 115.700 0.064 0.000 2.407 121 S HA -0.279 4.190 4.470 -0.000 0.000 0.235 121 S C 2.264 176.907 174.600 0.072 0.000 1.036 121 S CA 2.219 60.442 58.200 0.039 0.000 1.013 121 S CB -0.494 62.687 63.200 -0.033 0.000 0.820 121 S HN 0.634 nan 8.310 nan 0.000 0.476 122 S N 1.508 117.282 115.700 0.124 0.000 2.382 122 S HA -0.008 4.462 4.470 -0.000 0.000 0.228 122 S C 2.123 176.805 174.600 0.137 0.000 1.027 122 S CA 1.384 59.682 58.200 0.164 0.000 0.991 122 S CB -1.118 62.254 63.200 0.287 0.000 0.823 122 S HN 0.838 nan 8.310 nan 0.000 0.469 123 A N 2.537 125.430 122.820 0.123 0.000 1.869 123 A HA -0.109 4.210 4.320 -0.000 0.000 0.218 123 A C 2.651 180.359 177.584 0.207 0.000 1.203 123 A CA 2.965 55.080 52.037 0.130 0.000 0.638 123 A CB -1.820 17.253 19.000 0.122 0.000 0.831 123 A HN 1.354 nan 8.150 nan 0.000 0.450 124 V N -1.752 118.267 119.914 0.174 0.000 2.324 124 V HA -0.286 3.834 4.120 -0.000 0.000 0.250 124 V C 2.334 178.505 176.094 0.127 0.000 1.060 124 V CA 2.439 64.819 62.300 0.133 0.000 1.042 124 V CB -1.058 30.797 31.823 0.054 0.000 0.650 124 V HN 0.391 nan 8.190 nan 0.000 0.450 125 L N 1.314 122.612 121.223 0.124 0.000 2.056 125 L HA 0.101 4.441 4.340 -0.000 0.000 0.207 125 L C 2.786 179.751 176.870 0.158 0.000 1.078 125 L CA 2.078 56.995 54.840 0.128 0.000 0.749 125 L CB -1.049 41.085 42.059 0.125 0.000 0.901 125 L HN 0.492 nan 8.230 nan 0.000 0.433 126 G N -1.695 107.203 108.800 0.164 0.000 2.411 126 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.213 126 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.213 126 G C 1.631 176.664 174.900 0.222 0.000 1.166 126 G CA 0.080 45.272 45.100 0.154 0.000 0.802 126 G HN 0.351 nan 8.290 nan 0.000 0.533 127 F N 1.863 121.840 119.950 0.046 0.000 2.192 127 F HA -0.132 4.395 4.527 -0.000 0.000 0.301 127 F C 2.371 178.219 175.800 0.081 0.000 1.079 127 F CA 1.054 59.079 58.000 0.043 0.000 1.303 127 F CB 0.299 39.313 39.000 0.024 0.000 1.024 127 F HN 0.217 nan 8.300 nan 0.000 0.494 128 G N -0.911 108.069 108.800 0.301 0.000 2.490 128 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.211 128 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.211 128 G C 1.716 176.801 174.900 0.308 0.000 1.159 128 G CA 0.487 45.738 45.100 0.251 0.000 0.819 128 G HN 0.470 nan 8.290 nan 0.000 0.539 129 G N 0.642 109.587 108.800 0.242 0.000 2.440 129 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 129 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 129 G C 1.784 176.765 174.900 0.134 0.000 1.154 129 G CA 1.195 46.403 45.100 0.180 0.000 0.767 129 G HN 0.359 nan 8.290 nan 0.000 0.552 130 V N 0.039 120.044 119.914 0.151 0.000 2.469 130 V HA -0.195 3.925 4.120 -0.000 0.000 0.251 130 V C 2.219 178.386 176.094 0.122 0.000 1.064 130 V CA 2.431 64.801 62.300 0.116 0.000 1.066 130 V CB -0.481 31.412 31.823 0.117 0.000 0.667 130 V HN 0.575 nan 8.190 nan 0.000 0.461 131 Y N 0.408 120.759 120.300 0.084 0.000 2.144 131 Y HA -0.119 4.431 4.550 -0.000 0.000 0.279 131 Y C 2.560 178.464 175.900 0.006 0.000 1.099 131 Y CA 1.769 59.880 58.100 0.019 0.000 1.087 131 Y CB -1.340 37.093 38.460 -0.045 0.000 1.007 131 Y HN 0.397 nan 8.280 nan 0.000 0.482 132 H N 0.254 118.697 119.070 -1.045 0.000 2.509 132 H HA -0.241 4.315 4.556 -0.000 0.000 0.293 132 H C 1.996 177.017 175.328 -0.512 0.000 1.125 132 H CA 1.536 57.027 56.048 -0.928 0.000 1.188 132 H CB -0.486 29.042 29.762 -0.391 0.000 1.349 132 H HN 0.570 nan 8.280 nan 0.000 0.528 133 A N -0.437 122.260 122.820 -0.206 0.000 2.095 133 A HA 0.125 4.445 4.320 -0.000 0.000 0.212 133 A C 2.252 179.775 177.584 -0.101 0.000 1.162 133 A CA 0.565 52.533 52.037 -0.115 0.000 0.753 133 A CB 0.246 19.212 19.000 -0.056 0.000 0.840 133 A HN 0.302 nan 8.150 nan 0.000 0.468 134 I N -3.441 117.063 120.570 -0.110 0.000 3.812 134 I HA 0.233 4.403 4.170 -0.000 0.000 0.292 134 I C 1.918 178.025 176.117 -0.018 0.000 1.206 134 I CA 0.091 61.365 61.300 -0.042 0.000 1.370 134 I CB 0.052 38.053 38.000 0.001 0.000 1.328 134 I HN -0.133 nan 8.210 nan 0.000 0.453 135 R N 1.689 122.198 120.500 0.016 0.000 2.362 135 R HA 0.377 4.717 4.340 -0.000 0.000 0.227 135 R C 0.768 177.184 176.300 0.193 0.000 0.905 135 R CA 0.220 56.404 56.100 0.140 0.000 1.067 135 R CB 0.531 30.991 30.300 0.267 0.000 1.078 135 R HN 0.391 nan 8.270 nan 0.000 0.516 136 G N 1.686 110.448 108.800 -0.062 0.000 2.606 136 G HA2 0.269 4.228 3.960 -0.000 0.000 0.262 136 G HA3 0.269 4.228 3.960 -0.000 0.000 0.262 136 G C -2.263 172.629 174.900 -0.012 0.000 1.394 136 G CA -0.781 44.316 45.100 -0.005 0.000 1.044 136 G HN -0.048 nan 8.290 nan 0.000 0.553 137 P HA 0.075 nan 4.420 nan 0.000 0.264 137 P C 0.110 177.404 177.300 -0.010 0.000 1.229 137 P CA 0.264 63.378 63.100 0.023 0.000 0.780 137 P CB 1.179 32.903 31.700 0.040 0.000 0.808 138 E N 2.068 122.272 120.200 0.006 0.000 2.510 138 E HA -0.089 4.261 4.350 -0.000 0.000 0.202 138 E C -0.204 176.406 176.600 0.017 0.000 1.072 138 E CA 0.548 56.949 56.400 0.001 0.000 0.883 138 E CB 0.287 29.994 29.700 0.013 0.000 0.818 138 E HN 0.323 nan 8.360 nan 0.000 0.548 139 T N -0.266 114.306 114.554 0.030 0.000 3.355 139 T HA 0.182 4.531 4.350 -0.000 0.000 0.324 139 T C -0.300 174.440 174.700 0.068 0.000 0.932 139 T CA -0.569 61.562 62.100 0.052 0.000 1.032 139 T CB 0.874 69.783 68.868 0.068 0.000 1.027 139 T HN 0.185 nan 8.240 nan 0.000 0.456 140 L N 3.972 125.216 121.223 0.035 0.000 2.592 140 L HA 0.448 4.788 4.340 -0.000 0.000 0.227 140 L C 2.134 179.089 176.870 0.141 0.000 1.127 140 L CA 0.297 55.171 54.840 0.057 0.000 0.884 140 L CB -0.092 41.919 42.059 -0.080 0.000 1.065 140 L HN 0.696 nan 8.230 nan 0.000 0.457 141 E N 0.806 121.089 120.200 0.138 0.000 2.072 141 E HA -0.278 4.072 4.350 -0.000 0.000 0.191 141 E C 1.686 178.366 176.600 0.133 0.000 0.985 141 E CA 1.804 58.296 56.400 0.153 0.000 0.801 141 E CB 0.257 30.037 29.700 0.134 0.000 0.750 141 E HN 0.810 nan 8.360 nan 0.000 0.452 142 E N -0.099 120.176 120.200 0.125 0.000 2.033 142 E HA -0.213 4.137 4.350 -0.000 0.000 0.189 142 E C 2.081 178.760 176.600 0.132 0.000 0.979 142 E CA 1.161 57.623 56.400 0.102 0.000 0.802 142 E CB -1.243 28.503 29.700 0.077 0.000 0.763 142 E HN 0.288 nan 8.360 nan 0.000 0.449 143 Y N 1.749 122.071 120.300 0.037 0.000 2.465 143 Y HA -0.187 4.363 4.550 -0.000 0.000 0.289 143 Y C 2.061 178.003 175.900 0.071 0.000 1.150 143 Y CA 0.512 58.629 58.100 0.029 0.000 1.293 143 Y CB -0.637 37.826 38.460 0.006 0.000 0.977 143 Y HN 0.227 nan 8.280 nan 0.000 0.556 144 S N 0.043 115.937 115.700 0.323 0.000 1.931 144 S HA -0.483 3.987 4.470 -0.000 0.000 0.521 144 S C 1.934 176.719 174.600 0.307 0.000 0.931 144 S CA 4.049 62.407 58.200 0.263 0.000 3.252 144 S CB -1.632 61.646 63.200 0.131 0.000 2.277 144 S HN 1.233 nan 8.310 nan 0.000 0.559 145 S N 1.630 117.418 115.700 0.147 0.000 4.157 145 S HA -0.392 4.078 4.470 -0.000 0.000 0.538 145 S C 0.856 175.445 174.600 -0.018 0.000 1.384 145 S CA 2.260 60.502 58.200 0.069 0.000 3.765 145 S CB -2.433 60.807 63.200 0.067 0.000 1.819 145 S HN 2.085 nan 8.310 nan 0.000 0.455 146 F N 4.515 124.306 119.950 -0.265 0.000 2.431 146 F HA 0.386 4.913 4.527 -0.000 0.000 0.321 146 F C 0.782 176.123 175.800 -0.765 0.000 1.250 146 F CA -0.517 57.002 58.000 -0.801 0.000 1.099 146 F CB -2.140 36.558 39.000 -0.502 0.000 1.548 146 F HN 0.578 nan 8.300 nan 0.000 0.659 147 F N 0.429 120.251 119.950 -0.213 0.000 2.547 147 F HA -0.292 4.235 4.527 -0.000 0.000 0.714 147 F C 1.931 177.569 175.800 -0.269 0.000 0.486 147 F CA 1.369 59.204 58.000 -0.274 0.000 0.738 147 F CB -2.006 36.746 39.000 -0.414 0.000 1.612 147 F HN 0.966 nan 8.300 nan 0.000 0.270 148 G N -0.363 108.219 108.800 -0.364 0.000 2.553 148 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.242 148 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.242 148 G C -1.227 173.765 174.900 0.154 0.000 1.277 148 G CA 0.021 45.105 45.100 -0.028 0.000 0.910 148 G HN 1.042 nan 8.290 nan 0.000 0.576 149 Y N 1.557 121.799 120.300 -0.097 0.000 2.492 149 Y HA 0.649 5.198 4.550 -0.000 0.000 0.346 149 Y C -0.216 175.559 175.900 -0.208 0.000 0.997 149 Y CA -0.339 57.636 58.100 -0.208 0.000 1.025 149 Y CB 2.419 40.769 38.460 -0.184 0.000 1.263 149 Y HN 0.950 nan 8.280 nan 0.000 0.454 150 D N 2.713 122.755 120.400 -0.596 0.000 2.385 150 D HA -0.086 4.553 4.640 -0.000 0.000 0.153 150 D C -0.734 175.238 176.300 -0.547 0.000 0.830 150 D CA -0.218 53.509 54.000 -0.455 0.000 1.097 150 D CB 0.092 40.814 40.800 -0.129 0.000 4.800 150 D HN 0.529 nan 8.370 nan 0.000 0.527 151 W N 3.301 124.517 121.300 -0.139 0.000 2.413 151 W HA 0.072 4.731 4.660 -0.000 0.000 0.315 151 W C 2.432 179.037 176.519 0.145 0.000 1.186 151 W CA 0.599 57.946 57.345 0.004 0.000 1.326 151 W CB -0.429 29.104 29.460 0.122 0.000 1.153 151 W HN 0.326 nan 8.180 nan 0.000 0.489 152 K N 1.131 121.741 120.400 0.350 0.000 2.189 152 K HA -0.222 4.098 4.320 -0.000 0.000 0.207 152 K C 0.222 176.882 176.600 0.100 0.000 1.046 152 K CA 1.412 57.835 56.287 0.226 0.000 0.928 152 K CB -1.116 31.453 32.500 0.115 0.000 0.720 152 K HN 0.083 nan 8.250 nan 0.000 0.458 153 D N 1.801 122.225 120.400 0.041 0.000 2.449 153 D HA -0.108 4.532 4.640 -0.000 0.000 0.278 153 D C 1.013 177.304 176.300 -0.015 0.000 1.417 153 D CA 0.335 54.319 54.000 -0.026 0.000 1.192 153 D CB 0.216 40.978 40.800 -0.063 0.000 1.129 153 D HN 0.155 nan 8.370 nan 0.000 0.539 154 K N 3.140 123.506 120.400 -0.055 0.000 2.286 154 K HA -0.207 4.113 4.320 -0.000 0.000 0.203 154 K C 0.870 177.465 176.600 -0.008 0.000 1.045 154 K CA 1.308 57.559 56.287 -0.059 0.000 0.935 154 K CB 0.182 32.505 32.500 -0.295 0.000 0.737 154 K HN 0.434 nan 8.250 nan 0.000 0.460 155 N N -0.645 118.034 118.700 -0.035 0.000 2.439 155 N HA -0.037 4.703 4.740 -0.000 0.000 0.176 155 N C 1.336 176.835 175.510 -0.019 0.000 1.029 155 N CA 0.008 53.044 53.050 -0.023 0.000 0.886 155 N CB 0.153 38.617 38.487 -0.039 0.000 1.057 155 N HN -0.081 nan 8.380 nan 0.000 0.437 156 K N 0.916 121.297 120.400 -0.031 0.000 2.211 156 K HA 0.022 4.342 4.320 -0.000 0.000 0.204 156 K C 1.612 178.178 176.600 -0.057 0.000 1.047 156 K CA 1.215 57.482 56.287 -0.033 0.000 0.935 156 K CB 0.019 32.478 32.500 -0.068 0.000 0.728 156 K HN 0.179 nan 8.250 nan 0.000 0.452 157 M N -1.141 118.415 119.600 -0.072 0.000 2.287 157 M HA -0.024 4.456 4.480 -0.000 0.000 0.266 157 M C 2.165 178.445 176.300 -0.033 0.000 1.079 157 M CA 1.439 56.678 55.300 -0.102 0.000 1.146 157 M CB -1.023 31.476 32.600 -0.168 0.000 1.374 157 M HN 0.163 nan 8.290 nan 0.000 0.435 158 T N 0.686 115.259 114.554 0.032 0.000 2.746 158 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 158 T C 1.698 176.425 174.700 0.045 0.000 1.039 158 T CA 2.287 64.452 62.100 0.108 0.000 1.142 158 T CB -0.128 68.814 68.868 0.124 0.000 0.866 158 T HN 0.393 nan 8.240 nan 0.000 0.444 159 T N 1.777 116.306 114.554 -0.041 0.000 2.777 159 T HA 0.016 4.366 4.350 -0.000 0.000 0.266 159 T C 1.828 176.357 174.700 -0.284 0.000 1.040 159 T CA 1.010 62.995 62.100 -0.192 0.000 1.141 159 T CB -0.324 68.443 68.868 -0.168 0.000 0.868 159 T HN 0.210 nan 8.240 nan 0.000 0.444 160 I N 1.891 122.431 120.570 -0.051 0.000 2.058 160 I HA -0.112 4.057 4.170 -0.000 0.000 0.235 160 I C 2.381 178.601 176.117 0.171 0.000 1.053 160 I CA 0.820 62.214 61.300 0.157 0.000 1.313 160 I CB -1.016 37.017 38.000 0.054 0.000 1.039 160 I HN 0.234 nan 8.210 nan 0.000 0.396 161 L N 0.104 121.325 121.223 -0.003 0.000 2.089 161 L HA -0.193 4.146 4.340 -0.000 0.000 0.213 161 L C 2.323 179.215 176.870 0.037 0.000 1.079 161 L CA 2.144 56.969 54.840 -0.025 0.000 0.758 161 L CB -1.272 40.734 42.059 -0.088 0.000 0.891 161 L HN 0.321 nan 8.230 nan 0.000 0.433 162 G N -0.205 108.564 108.800 -0.052 0.000 2.469 162 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.219 162 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.219 162 G C 1.176 176.012 174.900 -0.106 0.000 1.150 162 G CA 1.240 46.268 45.100 -0.120 0.000 0.763 162 G HN 0.458 nan 8.290 nan 0.000 0.561 163 F N 0.914 120.896 119.950 0.054 0.000 2.051 163 F HA 0.031 4.558 4.527 -0.000 0.000 0.296 163 F C 2.630 178.402 175.800 -0.046 0.000 1.122 163 F CA 1.482 59.458 58.000 -0.040 0.000 1.201 163 F CB -1.031 37.879 39.000 -0.150 0.000 0.978 163 F HN 0.182 nan 8.300 nan 0.000 0.472 164 H N -0.359 118.809 119.070 0.162 0.000 2.566 164 H HA -0.056 4.499 4.556 -0.000 0.000 0.285 164 H C 1.989 177.347 175.328 0.050 0.000 1.041 164 H CA 0.801 56.901 56.048 0.088 0.000 1.207 164 H CB -0.547 29.253 29.762 0.063 0.000 1.353 164 H HN 0.271 nan 8.280 nan 0.000 0.604 165 L N -0.396 120.904 121.223 0.129 0.000 2.168 165 L HA -0.048 4.291 4.340 -0.000 0.000 0.203 165 L C 1.703 178.612 176.870 0.065 0.000 1.078 165 L CA 0.306 55.184 54.840 0.063 0.000 0.780 165 L CB -0.058 42.004 42.059 0.006 0.000 0.939 165 L HN 0.268 nan 8.230 nan 0.000 0.451 166 I N -0.830 119.780 120.570 0.067 0.000 2.226 166 I HA -0.206 3.963 4.170 -0.000 0.000 0.245 166 I C 2.654 178.807 176.117 0.061 0.000 1.100 166 I CA 1.092 62.430 61.300 0.064 0.000 1.374 166 I CB -1.434 36.608 38.000 0.070 0.000 1.057 166 I HN 0.027 nan 8.210 nan 0.000 0.413 167 V N 1.285 121.233 119.914 0.056 0.000 2.250 167 V HA -0.312 3.808 4.120 -0.000 0.000 0.250 167 V C 2.708 178.839 176.094 0.061 0.000 1.060 167 V CA 2.051 64.375 62.300 0.039 0.000 1.030 167 V CB -0.440 31.386 31.823 0.004 0.000 0.643 167 V HN 0.241 nan 8.190 nan 0.000 0.445 168 L N 0.363 121.631 121.223 0.076 0.000 1.961 168 L HA -0.017 4.323 4.340 -0.000 0.000 0.209 168 L C 2.686 179.605 176.870 0.080 0.000 1.075 168 L CA 2.458 57.347 54.840 0.082 0.000 0.749 168 L CB -1.822 40.286 42.059 0.081 0.000 0.890 168 L HN 0.368 nan 8.230 nan 0.000 0.433 169 G N -0.592 108.251 108.800 0.073 0.000 2.562 169 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.223 169 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.223 169 G C 1.745 176.690 174.900 0.075 0.000 1.102 169 G CA 1.169 46.313 45.100 0.074 0.000 0.742 169 G HN 0.351 nan 8.290 nan 0.000 0.587 170 I N 0.876 121.488 120.570 0.069 0.000 2.074 170 I HA -0.248 3.922 4.170 -0.000 0.000 0.238 170 I C 2.942 179.102 176.117 0.073 0.000 1.037 170 I CA 1.738 63.077 61.300 0.064 0.000 1.301 170 I CB -0.307 37.727 38.000 0.058 0.000 1.016 170 I HN 0.278 nan 8.210 nan 0.000 0.400 171 G N -0.858 107.993 108.800 0.085 0.000 2.712 171 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.212 171 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.212 171 G C 1.719 176.685 174.900 0.109 0.000 1.142 171 G CA 0.542 45.698 45.100 0.094 0.000 0.789 171 G HN 0.536 nan 8.290 nan 0.000 0.535 172 A N 0.939 123.835 122.820 0.127 0.000 1.958 172 A HA -0.096 4.224 4.320 -0.000 0.000 0.221 172 A C 2.327 179.997 177.584 0.143 0.000 1.178 172 A CA 1.554 53.700 52.037 0.182 0.000 0.642 172 A CB -0.320 18.769 19.000 0.148 0.000 0.816 172 A HN 0.411 nan 8.150 nan 0.000 0.453 173 L N -1.779 119.503 121.223 0.098 0.000 2.127 173 L HA -0.010 4.329 4.340 -0.000 0.000 0.203 173 L C 2.425 179.320 176.870 0.041 0.000 1.080 173 L CA 0.759 55.642 54.840 0.072 0.000 0.768 173 L CB -0.627 41.470 42.059 0.064 0.000 0.924 173 L HN 0.367 nan 8.230 nan 0.000 0.444 174 L N 0.292 121.546 121.223 0.050 0.000 2.064 174 L HA -0.276 4.064 4.340 -0.000 0.000 0.216 174 L C 2.474 179.350 176.870 0.009 0.000 1.077 174 L CA 1.836 56.701 54.840 0.042 0.000 0.766 174 L CB -0.263 41.850 42.059 0.090 0.000 0.890 174 L HN 0.231 nan 8.230 nan 0.000 0.435 175 L N -1.894 119.339 121.223 0.017 0.000 2.044 175 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 175 L C 2.315 179.126 176.870 -0.099 0.000 1.075 175 L CA 1.354 56.171 54.840 -0.039 0.000 0.747 175 L CB -0.280 41.730 42.059 -0.082 0.000 0.903 175 L HN 0.030 nan 8.230 nan 0.000 0.435 176 V N 0.844 120.717 119.914 -0.068 0.000 2.370 176 V HA -0.371 3.748 4.120 -0.000 0.000 0.252 176 V C 2.861 178.831 176.094 -0.207 0.000 1.068 176 V CA 1.813 64.053 62.300 -0.100 0.000 1.061 176 V CB -1.467 30.353 31.823 -0.005 0.000 0.656 176 V HN 0.661 nan 8.190 nan 0.000 0.455 177 A N -0.510 122.224 122.820 -0.143 0.000 1.841 177 A HA -0.204 4.116 4.320 -0.000 0.000 0.214 177 A C 2.338 179.693 177.584 -0.382 0.000 1.195 177 A CA 1.853 53.760 52.037 -0.216 0.000 0.611 177 A CB -0.569 18.192 19.000 -0.399 0.000 0.835 177 A HN 0.343 nan 8.150 nan 0.000 0.443 178 K N 0.130 120.368 120.400 -0.269 0.000 2.103 178 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 178 K C 2.102 178.582 176.600 -0.201 0.000 1.048 178 K CA 1.603 57.794 56.287 -0.160 0.000 0.930 178 K CB -0.653 31.787 32.500 -0.100 0.000 0.716 178 K HN 0.413 nan 8.250 nan 0.000 0.444 179 A N 0.125 122.812 122.820 -0.223 0.000 1.929 179 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 179 A C 2.036 179.436 177.584 -0.306 0.000 1.176 179 A CA 1.612 53.516 52.037 -0.222 0.000 0.628 179 A CB -0.152 18.731 19.000 -0.194 0.000 0.816 179 A HN 0.353 nan 8.150 nan 0.000 0.444 180 M N -3.113 116.171 119.600 -0.527 0.000 2.449 180 M HA 0.313 4.793 4.480 -0.000 0.000 0.262 180 M C 0.375 176.104 176.300 -0.952 0.000 1.152 180 M CA 0.442 55.227 55.300 -0.858 0.000 1.104 180 M CB 0.664 32.437 32.600 -1.379 0.000 1.416 180 M HN 0.341 nan 8.290 nan 0.000 0.519 181 F N -2.047 117.831 119.950 -0.120 0.000 2.817 181 F HA 0.363 4.889 4.527 -0.000 0.000 0.333 181 F C 1.301 177.271 175.800 0.283 0.000 1.085 181 F CA -0.362 57.617 58.000 -0.035 0.000 1.170 181 F CB 0.092 38.995 39.000 -0.161 0.000 1.066 181 F HN -0.031 nan 8.300 nan 0.000 0.564 182 F N -1.247 118.728 119.950 0.042 0.000 2.740 182 F HA 0.440 4.967 4.527 -0.000 0.000 0.304 182 F C 1.887 177.615 175.800 -0.119 0.000 1.098 182 F CA 0.449 58.440 58.000 -0.015 0.000 1.258 182 F CB 1.179 40.169 39.000 -0.016 0.000 1.061 182 F HN 0.038 nan 8.300 nan 0.000 0.598 183 G N -0.139 108.665 108.800 0.006 0.000 4.180 183 G HA2 0.356 4.316 3.960 -0.000 0.000 0.166 183 G HA3 0.356 4.316 3.960 -0.000 0.000 0.166 183 G C 0.401 175.219 174.900 -0.137 0.000 0.816 183 G CA 0.292 45.322 45.100 -0.117 0.000 0.880 183 G HN 0.605 nan 8.290 nan 0.000 0.399 184 G N -0.502 108.202 108.800 -0.159 0.000 2.526 184 G HA2 0.200 4.160 3.960 -0.000 0.000 0.250 184 G HA3 0.200 4.160 3.960 -0.000 0.000 0.250 184 G C -0.549 174.275 174.900 -0.127 0.000 1.289 184 G CA -0.270 44.751 45.100 -0.133 0.000 0.947 184 G HN 1.014 nan 8.290 nan 0.000 0.517 185 L N -1.566 119.624 121.223 -0.054 0.000 2.194 185 L HA 0.710 5.049 4.340 -0.000 0.000 0.248 185 L C -0.444 176.500 176.870 0.123 0.000 1.071 185 L CA -1.202 53.652 54.840 0.025 0.000 0.901 185 L CB 1.770 43.847 42.059 0.030 0.000 1.497 185 L HN 0.698 nan 8.230 nan 0.000 0.442 186 Y N 0.652 121.018 120.300 0.111 0.000 2.313 186 Y HA 0.347 4.897 4.550 -0.000 0.000 0.332 186 Y C -0.797 175.197 175.900 0.157 0.000 1.071 186 Y CA -0.104 58.105 58.100 0.181 0.000 1.169 186 Y CB 1.163 39.839 38.460 0.361 0.000 1.192 186 Y HN 0.418 nan 8.280 nan 0.000 0.487 187 D N 4.013 124.396 120.400 -0.028 0.000 2.473 187 D HA 0.116 4.756 4.640 -0.000 0.000 0.253 187 D C 0.575 176.918 176.300 0.072 0.000 1.233 187 D CA -0.267 53.807 54.000 0.124 0.000 0.908 187 D CB 1.499 42.346 40.800 0.077 0.000 1.170 187 D HN 0.747 nan 8.370 nan 0.000 0.558 188 T N 0.583 115.335 114.554 0.329 0.000 2.867 188 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 188 T C 1.623 176.398 174.700 0.125 0.000 1.057 188 T CA 0.702 62.963 62.100 0.269 0.000 1.136 188 T CB -0.270 68.793 68.868 0.325 0.000 0.874 188 T HN 0.414 nan 8.240 nan 0.000 0.466 189 W N 2.532 123.877 121.300 0.075 0.000 2.409 189 W HA 0.536 5.196 4.660 -0.001 0.000 0.299 189 W C 1.706 178.234 176.519 0.016 0.000 1.203 189 W CA -0.085 57.290 57.345 0.050 0.000 1.298 189 W CB -0.994 28.490 29.460 0.040 0.000 1.127 189 W HN 0.314 nan 8.180 nan 0.000 0.528 190 A N 2.116 125.067 122.820 0.218 0.000 2.591 190 A HA -0.146 4.174 4.320 -0.000 0.000 0.265 190 A C -1.260 176.346 177.584 0.036 0.000 0.946 190 A CA 0.060 52.148 52.037 0.085 0.000 0.928 190 A CB -1.014 17.981 19.000 -0.007 0.000 0.816 190 A HN 0.148 nan 8.150 nan 0.000 0.466 191 P HA -0.348 nan 4.420 nan 0.000 0.249 191 P C 1.738 179.017 177.300 -0.036 0.000 0.857 191 P CA 2.288 65.394 63.100 0.011 0.000 1.100 191 P CB -0.414 31.286 31.700 0.001 0.000 0.761 192 G N -0.748 108.015 108.800 -0.063 0.000 2.867 192 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.244 192 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.244 192 G C 0.709 175.499 174.900 -0.183 0.000 1.151 192 G CA 1.848 46.877 45.100 -0.118 0.000 0.750 192 G HN 0.907 nan 8.290 nan 0.000 0.652 193 G N -3.179 105.529 108.800 -0.153 0.000 2.342 193 G HA2 0.597 4.557 3.960 -0.000 0.000 0.297 193 G HA3 0.597 4.557 3.960 -0.000 0.000 0.297 193 G C 0.038 174.862 174.900 -0.125 0.000 1.313 193 G CA -0.079 44.923 45.100 -0.164 0.000 0.830 193 G HN 1.213 nan 8.290 nan 0.000 0.506 194 G N -0.648 108.114 108.800 -0.063 0.000 2.238 194 G HA2 0.412 4.372 3.960 -0.000 0.000 0.234 194 G HA3 0.412 4.372 3.960 -0.000 0.000 0.234 194 G C -0.263 174.382 174.900 -0.425 0.000 1.181 194 G CA 1.603 46.599 45.100 -0.172 0.000 0.871 194 G HN 1.079 nan 8.290 nan 0.000 0.490 195 D N -0.054 119.836 120.400 -0.850 0.000 2.706 195 D HA 0.076 4.716 4.640 -0.000 0.000 0.229 195 D C -0.437 175.616 176.300 -0.411 0.000 1.145 195 D CA -0.559 53.145 54.000 -0.494 0.000 0.746 195 D CB 1.241 41.914 40.800 -0.212 0.000 2.093 195 D HN 0.572 nan 8.370 nan 0.000 0.473 196 V N 4.141 123.944 119.914 -0.185 0.000 2.539 196 V HA 0.268 4.388 4.120 -0.000 0.000 0.300 196 V C -0.051 176.002 176.094 -0.069 0.000 1.019 196 V CA 0.997 63.268 62.300 -0.049 0.000 1.160 196 V CB 0.079 31.925 31.823 0.038 0.000 0.901 196 V HN 0.636 nan 8.190 nan 0.000 0.481 197 R N 4.590 125.054 120.500 -0.061 0.000 2.771 197 R HA 0.754 5.094 4.340 -0.000 0.000 0.274 197 R C -1.159 175.110 176.300 -0.052 0.000 0.987 197 R CA -0.529 55.539 56.100 -0.053 0.000 0.908 197 R CB 2.411 32.681 30.300 -0.050 0.000 1.213 197 R HN 0.722 nan 8.270 nan 0.000 0.468 198 V N 1.764 121.645 119.914 -0.055 0.000 2.407 198 V HA 0.479 4.599 4.120 -0.000 0.000 0.278 198 V C 0.007 176.052 176.094 -0.082 0.000 1.037 198 V CA -0.882 61.371 62.300 -0.079 0.000 0.900 198 V CB 1.050 32.829 31.823 -0.073 0.000 0.983 198 V HN 0.579 nan 8.190 nan 0.000 0.459 199 I N 5.991 126.495 120.570 -0.109 0.000 2.483 199 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 199 I C 1.761 177.807 176.117 -0.118 0.000 1.112 199 I CA 0.929 62.172 61.300 -0.096 0.000 1.350 199 I CB 0.545 38.483 38.000 -0.103 0.000 1.419 199 I HN 0.980 nan 8.210 nan 0.000 0.523 200 T N 1.676 116.187 114.554 -0.071 0.000 2.706 200 T HA -0.033 4.317 4.350 -0.000 0.000 0.255 200 T C 1.062 175.737 174.700 -0.042 0.000 1.048 200 T CA 0.462 62.527 62.100 -0.058 0.000 1.153 200 T CB -0.096 68.758 68.868 -0.023 0.000 0.865 200 T HN 0.439 nan 8.240 nan 0.000 0.414 201 N N 3.034 121.724 118.700 -0.016 0.000 2.817 201 N HA 0.381 5.121 4.740 -0.000 0.000 0.234 201 N C -2.769 172.751 175.510 0.017 0.000 1.066 201 N CA -1.450 51.604 53.050 0.006 0.000 0.926 201 N CB 0.971 39.468 38.487 0.018 0.000 1.176 201 N HN 0.258 nan 8.380 nan 0.000 0.506 202 P HA 0.067 nan 4.420 nan 0.000 0.274 202 P C -0.318 177.033 177.300 0.085 0.000 1.264 202 P CA 0.066 63.196 63.100 0.050 0.000 0.795 202 P CB 0.560 32.292 31.700 0.055 0.000 1.064 203 T N 0.738 115.364 114.554 0.121 0.000 2.806 203 T HA 0.200 4.550 4.350 -0.000 0.000 0.290 203 T C 0.931 175.766 174.700 0.226 0.000 0.966 203 T CA -0.210 61.971 62.100 0.134 0.000 1.060 203 T CB 0.416 69.343 68.868 0.099 0.000 0.927 203 T HN 0.255 nan 8.240 nan 0.000 0.485 204 L N 2.920 124.261 121.223 0.197 0.000 2.140 204 L HA 0.239 4.579 4.340 -0.000 0.000 0.201 204 L C 0.267 177.319 176.870 0.303 0.000 1.191 204 L CA 0.390 55.395 54.840 0.275 0.000 0.825 204 L CB -0.028 42.129 42.059 0.164 0.000 0.970 204 L HN 0.558 nan 8.230 nan 0.000 0.477 205 D N 1.965 122.456 120.400 0.152 0.000 4.262 205 D HA -0.137 4.503 4.640 -0.000 0.000 0.186 205 D C -1.707 174.583 176.300 -0.017 0.000 1.090 205 D CA 0.357 54.397 54.000 0.065 0.000 0.711 205 D CB 0.340 41.143 40.800 0.006 0.000 1.194 205 D HN 0.357 nan 8.370 nan 0.000 0.627 206 P HA -0.109 nan 4.420 nan 0.000 0.222 206 P C 1.255 178.410 177.300 -0.242 0.000 1.153 206 P CA 0.451 63.349 63.100 -0.338 0.000 0.798 206 P CB 0.457 31.874 31.700 -0.473 0.000 0.796 207 R N 0.227 120.617 120.500 -0.184 0.000 2.096 207 R HA -0.073 4.267 4.340 -0.000 0.000 0.240 207 R C 2.331 178.514 176.300 -0.196 0.000 1.139 207 R CA 1.087 57.087 56.100 -0.165 0.000 0.952 207 R CB -1.934 28.290 30.300 -0.126 0.000 0.854 207 R HN 0.189 nan 8.270 nan 0.000 0.436 208 V N 1.673 121.457 119.914 -0.217 0.000 2.221 208 V HA -0.206 3.914 4.120 -0.000 0.000 0.240 208 V C 2.543 178.349 176.094 -0.480 0.000 1.041 208 V CA 1.784 63.874 62.300 -0.351 0.000 0.991 208 V CB -0.660 31.024 31.823 -0.232 0.000 0.634 208 V HN 0.150 nan 8.190 nan 0.000 0.450 209 I N -0.744 119.649 120.570 -0.295 0.000 2.181 209 I HA -0.330 3.839 4.170 -0.000 0.000 0.247 209 I C 2.349 178.305 176.117 -0.269 0.000 1.081 209 I CA 2.079 63.231 61.300 -0.247 0.000 1.340 209 I CB -0.423 37.373 38.000 -0.339 0.000 1.036 209 I HN 0.242 nan 8.210 nan 0.000 0.417 210 F N 0.392 120.096 119.950 -0.410 0.000 2.219 210 F HA 0.076 4.603 4.527 -0.000 0.000 0.294 210 F C 2.596 178.252 175.800 -0.241 0.000 1.086 210 F CA 1.087 58.905 58.000 -0.304 0.000 1.330 210 F CB -1.340 37.457 39.000 -0.337 0.000 1.047 210 F HN -0.012 nan 8.300 nan 0.000 0.495 211 G N -0.391 108.345 108.800 -0.106 0.000 2.606 211 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.223 211 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.223 211 G C 1.442 176.279 174.900 -0.104 0.000 1.106 211 G CA 1.395 46.399 45.100 -0.160 0.000 0.745 211 G HN 0.304 nan 8.290 nan 0.000 0.597 212 Y N 0.194 120.484 120.300 -0.017 0.000 2.165 212 Y HA -0.045 4.505 4.550 -0.000 0.000 0.286 212 Y C 2.808 178.724 175.900 0.026 0.000 1.155 212 Y CA 0.844 58.951 58.100 0.012 0.000 1.164 212 Y CB -0.897 37.573 38.460 0.017 0.000 0.978 212 Y HN 0.115 nan 8.280 nan 0.000 0.513 213 L N -0.868 120.403 121.223 0.080 0.000 2.043 213 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 213 L C 1.997 178.802 176.870 -0.108 0.000 1.075 213 L CA 1.243 55.995 54.840 -0.148 0.000 0.752 213 L CB -0.908 41.009 42.059 -0.237 0.000 0.891 213 L HN 0.188 nan 8.230 nan 0.000 0.432 214 L N -0.699 120.500 121.223 -0.041 0.000 2.551 214 L HA -0.022 4.318 4.340 -0.000 0.000 0.228 214 L C 1.154 178.041 176.870 0.029 0.000 1.153 214 L CA 0.853 55.675 54.840 -0.030 0.000 0.851 214 L CB -1.518 40.518 42.059 -0.039 0.000 0.959 214 L HN 0.252 nan 8.230 nan 0.000 0.451 215 K N 0.409 120.869 120.400 0.100 0.000 2.202 215 K HA 0.141 4.461 4.320 -0.000 0.000 0.264 215 K C 0.581 177.264 176.600 0.138 0.000 1.010 215 K CA -0.219 56.142 56.287 0.123 0.000 0.940 215 K CB 0.867 33.479 32.500 0.186 0.000 0.983 215 K HN 0.001 nan 8.250 nan 0.000 0.475 216 S N 3.169 118.913 115.700 0.073 0.000 2.536 216 S HA -0.079 4.391 4.470 -0.000 0.000 0.290 216 S C -1.550 173.070 174.600 0.032 0.000 1.302 216 S CA -0.649 57.568 58.200 0.028 0.000 1.037 216 S CB 0.209 63.423 63.200 0.023 0.000 0.804 216 S HN 0.593 nan 8.310 nan 0.000 0.506 217 P HA 0.210 nan 4.420 nan 0.000 0.242 217 P C 0.077 177.370 177.300 -0.012 0.000 1.176 217 P CA 0.337 63.363 63.100 -0.122 0.000 0.859 217 P CB 0.262 31.842 31.700 -0.200 0.000 1.010 218 F N 1.570 121.455 119.950 -0.109 0.000 2.352 218 F HA 0.470 4.997 4.527 -0.000 0.000 0.304 218 F C 1.915 177.654 175.800 -0.101 0.000 1.215 218 F CA -1.218 56.716 58.000 -0.110 0.000 1.121 218 F CB -1.206 37.763 39.000 -0.050 0.000 1.329 218 F HN -0.182 nan 8.300 nan 0.000 0.528 219 G N -0.056 108.814 108.800 0.117 0.000 2.178 219 G HA2 0.359 4.319 3.960 -0.000 0.000 0.244 219 G HA3 0.359 4.319 3.960 -0.000 0.000 0.244 219 G C 0.796 175.733 174.900 0.061 0.000 1.213 219 G CA 0.421 45.554 45.100 0.055 0.000 0.912 219 G HN 1.283 nan 8.290 nan 0.000 0.474 220 G N 1.812 110.607 108.800 -0.009 0.000 2.391 220 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.204 220 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.204 220 G C 0.076 174.944 174.900 -0.052 0.000 1.012 220 G CA 0.203 45.271 45.100 -0.055 0.000 0.651 220 G HN 0.910 nan 8.290 nan 0.000 0.494 221 E N -0.046 120.137 120.200 -0.028 0.000 2.565 221 E HA 0.502 4.852 4.350 -0.000 0.000 0.343 221 E C -0.040 176.524 176.600 -0.059 0.000 0.968 221 E CA 0.017 56.398 56.400 -0.032 0.000 0.773 221 E CB 1.125 30.833 29.700 0.013 0.000 1.513 221 E HN 0.693 nan 8.360 nan 0.000 0.384 222 G N 1.350 110.062 108.800 -0.146 0.000 2.353 222 G HA2 0.235 4.195 3.960 -0.000 0.000 0.284 222 G HA3 0.235 4.195 3.960 -0.000 0.000 0.284 222 G C 0.578 175.378 174.900 -0.167 0.000 1.172 222 G CA -0.640 44.307 45.100 -0.255 0.000 0.854 222 G HN 0.668 nan 8.290 nan 0.000 0.485 223 W N 3.874 125.108 121.300 -0.111 0.000 2.321 223 W HA -0.147 4.513 4.660 -0.000 0.000 0.306 223 W C 1.062 177.517 176.519 -0.106 0.000 1.217 223 W CA 1.288 58.594 57.345 -0.065 0.000 1.257 223 W CB -0.568 28.867 29.460 -0.042 0.000 1.145 223 W HN 0.304 nan 8.180 nan 0.000 0.509 224 I N 1.043 121.670 120.570 0.095 0.000 2.499 224 I HA -0.122 4.047 4.170 -0.000 0.000 0.243 224 I C 2.852 178.753 176.117 -0.360 0.000 1.085 224 I CA 1.620 62.959 61.300 0.064 0.000 1.422 224 I CB -1.671 36.410 38.000 0.135 0.000 1.165 224 I HN 0.104 nan 8.210 nan 0.000 0.440 225 V N -0.419 119.059 119.914 -0.727 0.000 2.250 225 V HA -0.269 3.851 4.120 -0.000 0.000 0.253 225 V C 1.663 177.400 176.094 -0.595 0.000 1.065 225 V CA 1.667 63.301 62.300 -1.110 0.000 1.039 225 V CB -1.604 29.706 31.823 -0.856 0.000 0.647 225 V HN 0.338 nan 8.190 nan 0.000 0.446 226 S N 0.894 116.350 115.700 -0.406 0.000 2.611 226 S HA 0.324 4.794 4.470 -0.000 0.000 0.317 226 S C -0.344 174.021 174.600 -0.393 0.000 1.208 226 S CA 0.185 58.210 58.200 -0.292 0.000 1.217 226 S CB -0.784 62.308 63.200 -0.180 0.000 1.085 226 S HN 0.667 nan 8.310 nan 0.000 0.529 227 V N 6.406 126.161 119.914 -0.264 0.000 2.637 227 V HA 0.195 4.314 4.120 -0.000 0.000 0.274 227 V C 0.610 176.572 176.094 -0.219 0.000 1.004 227 V CA -0.964 61.185 62.300 -0.253 0.000 0.894 227 V CB 1.235 32.950 31.823 -0.181 0.000 1.046 227 V HN 0.647 nan 8.190 nan 0.000 0.467 228 N N 2.941 121.450 118.700 -0.319 0.000 2.036 228 N HA -0.141 4.598 4.740 -0.000 0.000 0.195 228 N C 0.751 175.788 175.510 -0.789 0.000 1.037 228 N CA 2.287 54.925 53.050 -0.687 0.000 0.855 228 N CB 0.083 38.150 38.487 -0.700 0.000 1.033 228 N HN 0.963 nan 8.380 nan 0.000 0.423 229 N N -1.853 116.605 118.700 -0.404 0.000 2.890 229 N HA 0.344 5.083 4.740 -0.000 0.000 0.317 229 N C 0.029 175.492 175.510 -0.078 0.000 1.355 229 N CA -0.707 52.197 53.050 -0.244 0.000 0.803 229 N CB 1.169 39.553 38.487 -0.172 0.000 1.465 229 N HN -0.164 nan 8.380 nan 0.000 0.591 230 L N -0.244 120.965 121.223 -0.024 0.000 2.209 230 L HA 0.022 4.362 4.340 -0.000 0.000 0.207 230 L C 1.973 178.851 176.870 0.014 0.000 1.094 230 L CA 0.528 55.372 54.840 0.007 0.000 0.790 230 L CB -0.394 41.672 42.059 0.012 0.000 0.932 230 L HN 0.591 nan 8.230 nan 0.000 0.447 231 E N 0.419 120.624 120.200 0.008 0.000 2.171 231 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 231 E C 1.185 177.819 176.600 0.057 0.000 0.997 231 E CA 1.401 57.814 56.400 0.022 0.000 0.810 231 E CB -0.363 29.346 29.700 0.016 0.000 0.738 231 E HN 0.569 nan 8.360 nan 0.000 0.467 232 D N 0.187 120.629 120.400 0.070 0.000 2.301 232 D HA 0.012 4.652 4.640 -0.000 0.000 0.206 232 D C 2.077 178.474 176.300 0.162 0.000 0.979 232 D CA 0.234 54.313 54.000 0.132 0.000 0.874 232 D CB 0.343 41.256 40.800 0.189 0.000 0.968 232 D HN 0.021 nan 8.370 nan 0.000 0.510 233 V N 1.162 121.152 119.914 0.126 0.000 2.239 233 V HA -0.168 3.951 4.120 -0.000 0.000 0.236 233 V C 2.526 178.756 176.094 0.227 0.000 1.040 233 V CA 1.206 63.612 62.300 0.177 0.000 0.996 233 V CB -0.748 31.132 31.823 0.095 0.000 0.640 233 V HN 0.022 nan 8.190 nan 0.000 0.456 234 V N 1.102 121.059 119.914 0.072 0.000 2.380 234 V HA -0.229 3.891 4.120 -0.000 0.000 0.251 234 V C 2.379 178.551 176.094 0.131 0.000 1.063 234 V CA 2.692 65.008 62.300 0.027 0.000 1.055 234 V CB -1.015 30.773 31.823 -0.057 0.000 0.657 234 V HN 0.629 nan 8.190 nan 0.000 0.455 235 G N -0.803 108.075 108.800 0.129 0.000 2.442 235 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.219 235 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.219 235 G C 1.530 176.582 174.900 0.253 0.000 1.141 235 G CA 0.865 46.067 45.100 0.170 0.000 0.763 235 G HN 0.729 nan 8.290 nan 0.000 0.554 236 G N -0.396 108.543 108.800 0.232 0.000 2.396 236 G HA2 -0.056 3.903 3.960 -0.000 0.000 0.214 236 G HA3 -0.056 3.903 3.960 -0.000 0.000 0.214 236 G C 1.498 176.526 174.900 0.214 0.000 1.166 236 G CA 0.947 46.165 45.100 0.197 0.000 0.793 236 G HN 0.481 nan 8.290 nan 0.000 0.533 237 H N 0.607 119.747 119.070 0.116 0.000 2.319 237 H HA -0.059 4.496 4.556 -0.000 0.000 0.297 237 H C 2.559 177.960 175.328 0.123 0.000 1.097 237 H CA 1.634 57.742 56.048 0.099 0.000 1.285 237 H CB -0.181 29.622 29.762 0.069 0.000 1.368 237 H HN 0.295 nan 8.280 nan 0.000 0.495 238 I N -0.754 119.971 120.570 0.258 0.000 2.053 238 I HA -0.396 3.773 4.170 -0.000 0.000 0.236 238 I C 1.991 178.215 176.117 0.178 0.000 1.038 238 I CA 1.749 63.153 61.300 0.173 0.000 1.304 238 I CB -0.563 37.522 38.000 0.142 0.000 1.023 238 I HN 0.380 nan 8.210 nan 0.000 0.395 239 W N 0.248 121.585 121.300 0.061 0.000 2.303 239 W HA -0.274 4.386 4.660 -0.000 0.000 0.287 239 W C 2.480 179.001 176.519 0.003 0.000 1.213 239 W CA 0.962 58.337 57.345 0.049 0.000 1.203 239 W CB -0.171 29.311 29.460 0.036 0.000 1.136 239 W HN 0.207 nan 8.180 nan 0.000 0.547 240 I N -0.269 120.424 120.570 0.205 0.000 2.480 240 I HA -0.016 4.154 4.170 -0.000 0.000 0.251 240 I C 2.351 178.517 176.117 0.082 0.000 1.124 240 I CA 1.645 62.996 61.300 0.086 0.000 1.444 240 I CB -1.411 36.569 38.000 -0.034 0.000 1.098 240 I HN 0.017 nan 8.210 nan 0.000 0.428 241 G N 1.353 110.209 108.800 0.093 0.000 2.459 241 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.217 241 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.217 241 G C 1.542 176.482 174.900 0.066 0.000 1.183 241 G CA 0.747 45.895 45.100 0.080 0.000 0.776 241 G HN 0.308 nan 8.290 nan 0.000 0.552 242 L N 0.642 121.895 121.223 0.051 0.000 2.017 242 L HA 0.070 4.409 4.340 -0.000 0.000 0.208 242 L C 2.863 179.774 176.870 0.068 0.000 1.073 242 L CA 0.999 55.858 54.840 0.031 0.000 0.745 242 L CB -0.711 41.323 42.059 -0.042 0.000 0.894 242 L HN 0.208 nan 8.230 nan 0.000 0.432 243 I N -1.166 119.468 120.570 0.106 0.000 2.208 243 I HA -0.409 3.761 4.170 -0.000 0.000 0.245 243 I C 2.742 178.921 176.117 0.103 0.000 1.097 243 I CA 1.529 62.916 61.300 0.146 0.000 1.363 243 I CB -0.359 37.762 38.000 0.203 0.000 1.051 243 I HN 0.518 nan 8.210 nan 0.000 0.413 244 C N 0.985 120.332 119.300 0.079 0.000 2.475 244 C HA -0.042 4.418 4.460 -0.000 0.000 0.279 244 C C 2.674 177.703 174.990 0.065 0.000 1.322 244 C CA 0.232 59.285 59.018 0.057 0.000 1.734 244 C CB -0.828 26.941 27.740 0.047 0.000 2.005 244 C HN 0.412 nan 8.230 nan 0.000 0.495 245 I N 1.807 122.420 120.570 0.072 0.000 2.226 245 I HA -0.125 4.045 4.170 -0.000 0.000 0.245 245 I C 2.898 179.076 176.117 0.101 0.000 1.100 245 I CA 1.541 62.886 61.300 0.075 0.000 1.374 245 I CB -0.489 37.548 38.000 0.063 0.000 1.057 245 I HN 0.425 nan 8.210 nan 0.000 0.413 246 A N 0.561 123.454 122.820 0.121 0.000 2.131 246 A HA -0.107 4.212 4.320 -0.000 0.000 0.220 246 A C 2.274 180.019 177.584 0.268 0.000 1.158 246 A CA 1.753 53.901 52.037 0.184 0.000 0.665 246 A CB -1.023 18.089 19.000 0.186 0.000 0.795 246 A HN 0.506 nan 8.150 nan 0.000 0.460 247 G N -0.961 107.951 108.800 0.186 0.000 2.490 247 G HA2 0.213 4.173 3.960 -0.000 0.000 0.211 247 G HA3 0.213 4.173 3.960 -0.000 0.000 0.211 247 G C 1.448 176.478 174.900 0.216 0.000 1.159 247 G CA 0.939 46.158 45.100 0.197 0.000 0.819 247 G HN 0.585 nan 8.290 nan 0.000 0.539 248 G N 1.255 110.117 108.800 0.104 0.000 2.402 248 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.216 248 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.216 248 G C 1.670 176.616 174.900 0.076 0.000 1.162 248 G CA 0.880 46.012 45.100 0.052 0.000 0.777 248 G HN 0.287 nan 8.290 nan 0.000 0.539 249 I N -0.319 120.318 120.570 0.111 0.000 2.208 249 I HA -0.109 4.061 4.170 -0.000 0.000 0.245 249 I C 2.354 178.555 176.117 0.139 0.000 1.097 249 I CA 0.371 61.723 61.300 0.087 0.000 1.363 249 I CB -0.387 37.669 38.000 0.093 0.000 1.051 249 I HN 0.365 nan 8.210 nan 0.000 0.413 250 W N 1.372 122.709 121.300 0.062 0.000 2.381 250 W HA -0.192 4.467 4.660 -0.000 0.000 0.323 250 W C 2.818 179.380 176.519 0.072 0.000 1.194 250 W CA 1.926 59.322 57.345 0.085 0.000 1.296 250 W CB -1.152 28.402 29.460 0.157 0.000 1.175 250 W HN 0.284 nan 8.180 nan 0.000 0.465 251 H N -0.050 119.289 119.070 0.447 0.000 2.387 251 H HA -0.202 4.354 4.556 -0.000 0.000 0.299 251 H C 2.359 177.720 175.328 0.055 0.000 1.099 251 H CA 1.757 57.958 56.048 0.255 0.000 1.315 251 H CB -0.401 29.435 29.762 0.123 0.000 1.380 251 H HN 0.190 nan 8.280 nan 0.000 0.513 252 I N 1.154 121.773 120.570 0.082 0.000 2.264 252 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 252 I C 1.840 177.900 176.117 -0.095 0.000 1.111 252 I CA 1.164 62.380 61.300 -0.140 0.000 1.382 252 I CB 0.050 37.879 38.000 -0.286 0.000 1.060 252 I HN 0.198 nan 8.210 nan 0.000 0.418 253 L N -0.319 120.869 121.223 -0.058 0.000 2.375 253 L HA 0.067 4.407 4.340 -0.000 0.000 0.215 253 L C 0.870 177.680 176.870 -0.101 0.000 1.108 253 L CA 0.410 55.193 54.840 -0.096 0.000 0.830 253 L CB -0.533 41.438 42.059 -0.148 0.000 0.959 253 L HN 0.343 nan 8.230 nan 0.000 0.457 254 T N -4.090 110.427 114.554 -0.063 0.000 2.864 254 T HA 0.424 4.774 4.350 -0.000 0.000 0.289 254 T C -0.203 174.472 174.700 -0.042 0.000 1.082 254 T CA -0.591 61.462 62.100 -0.078 0.000 1.009 254 T CB 2.171 70.971 68.868 -0.114 0.000 1.234 254 T HN -0.255 nan 8.240 nan 0.000 0.526 255 T N 2.941 117.439 114.554 -0.094 0.000 2.829 255 T HA 0.561 4.911 4.350 -0.000 0.000 0.282 255 T C -2.461 172.181 174.700 -0.096 0.000 0.990 255 T CA -0.854 61.190 62.100 -0.094 0.000 1.028 255 T CB 0.854 69.637 68.868 -0.141 0.000 0.951 255 T HN 0.458 nan 8.240 nan 0.000 0.460 256 P HA 0.155 nan 4.420 nan 0.000 0.266 256 P C -0.240 177.031 177.300 -0.047 0.000 1.195 256 P CA -0.256 62.876 63.100 0.054 0.000 0.768 256 P CB 0.238 32.014 31.700 0.128 0.000 0.838 257 F N 0.645 120.309 119.950 -0.477 0.000 2.527 257 F HA 0.185 4.712 4.527 -0.000 0.000 0.316 257 F C 2.117 177.564 175.800 -0.587 0.000 1.258 257 F CA 0.334 57.983 58.000 -0.585 0.000 1.314 257 F CB -0.946 37.524 39.000 -0.882 0.000 1.200 257 F HN 0.393 nan 8.300 nan 0.000 0.577 258 G N 0.227 108.894 108.800 -0.223 0.000 2.484 258 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.218 258 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.218 258 G C 1.096 175.999 174.900 0.005 0.000 1.130 258 G CA 0.341 45.375 45.100 -0.110 0.000 0.784 258 G HN 0.828 nan 8.290 nan 0.000 0.543 259 W N -0.130 121.239 121.300 0.116 0.000 2.770 259 W HA 0.444 5.104 4.660 -0.000 0.000 0.256 259 W C 1.964 178.520 176.519 0.061 0.000 1.291 259 W CA 0.264 57.665 57.345 0.094 0.000 1.396 259 W CB -0.523 28.985 29.460 0.081 0.000 1.114 259 W HN 0.218 nan 8.180 nan 0.000 0.637 260 A N 2.700 125.466 122.820 -0.090 0.000 1.840 260 A HA -0.146 4.173 4.320 -0.000 0.000 0.214 260 A C 2.233 179.741 177.584 -0.128 0.000 1.198 260 A CA 1.818 53.644 52.037 -0.351 0.000 0.608 260 A CB -0.875 17.726 19.000 -0.666 0.000 0.839 260 A HN 0.253 nan 8.150 nan 0.000 0.443 261 R N -0.598 119.999 120.500 0.161 0.000 2.096 261 R HA -0.171 4.169 4.340 -0.000 0.000 0.240 261 R C 2.496 179.038 176.300 0.404 0.000 1.139 261 R CA 1.660 57.992 56.100 0.386 0.000 0.952 261 R CB -0.503 29.758 30.300 -0.066 0.000 0.854 261 R HN 0.566 nan 8.270 nan 0.000 0.436 262 R N 0.926 121.577 120.500 0.251 0.000 2.096 262 R HA -0.191 4.149 4.340 -0.000 0.000 0.240 262 R C 2.205 178.706 176.300 0.336 0.000 1.139 262 R CA 1.804 58.058 56.100 0.257 0.000 0.952 262 R CB -0.275 30.166 30.300 0.235 0.000 0.854 262 R HN 0.314 nan 8.270 nan 0.000 0.436 263 A N 0.984 124.071 122.820 0.445 0.000 1.840 263 A HA 0.036 4.356 4.320 -0.000 0.000 0.214 263 A C 0.833 178.866 177.584 0.748 0.000 1.198 263 A CA 0.775 53.201 52.037 0.648 0.000 0.608 263 A CB -0.293 19.351 19.000 1.074 0.000 0.839 263 A HN 0.317 nan 8.150 nan 0.000 0.443 264 F N -0.581 119.429 119.950 0.100 0.000 2.420 264 F HA 0.517 5.044 4.527 -0.000 0.000 0.342 264 F C 0.109 175.825 175.800 -0.140 0.000 1.113 264 F CA -1.078 56.871 58.000 -0.085 0.000 1.059 264 F CB 0.950 39.736 39.000 -0.357 0.000 1.128 264 F HN 0.024 nan 8.300 nan 0.000 0.475 265 I N 2.795 123.467 120.570 0.169 0.000 2.710 265 I HA -0.066 4.104 4.170 -0.000 0.000 0.286 265 I C -1.071 174.949 176.117 -0.161 0.000 1.181 265 I CA 0.279 61.639 61.300 0.100 0.000 1.430 265 I CB 0.371 38.381 38.000 0.016 0.000 1.367 265 I HN 0.451 nan 8.210 nan 0.000 0.577 266 W N 6.862 128.108 121.300 -0.091 0.000 2.361 266 W HA 0.657 5.317 4.660 -0.000 0.000 0.314 266 W C -0.148 176.154 176.519 -0.361 0.000 1.041 266 W CA -0.643 56.539 57.345 -0.271 0.000 1.241 266 W CB 1.201 30.714 29.460 0.088 0.000 1.279 266 W HN 0.348 nan 8.180 nan 0.000 0.436 267 S N 0.922 116.267 115.700 -0.592 0.000 2.543 267 S HA 0.496 4.966 4.470 -0.000 0.000 0.274 267 S C 0.968 175.236 174.600 -0.553 0.000 1.149 267 S CA -0.052 57.922 58.200 -0.377 0.000 0.866 267 S CB 0.833 63.831 63.200 -0.337 0.000 1.111 267 S HN 0.733 nan 8.310 nan 0.000 0.457 268 G N 2.301 110.800 108.800 -0.501 0.000 2.529 268 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.219 268 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.219 268 G C 1.058 175.523 174.900 -0.725 0.000 1.177 268 G CA 1.599 46.063 45.100 -1.060 0.000 0.773 268 G HN 0.889 nan 8.290 nan 0.000 0.573 269 E N 0.572 120.380 120.200 -0.653 0.000 2.021 269 E HA -0.142 4.207 4.350 -0.000 0.000 0.200 269 E C 2.840 179.130 176.600 -0.516 0.000 1.015 269 E CA 1.391 57.466 56.400 -0.542 0.000 0.824 269 E CB -0.439 28.958 29.700 -0.504 0.000 0.762 269 E HN 0.318 nan 8.360 nan 0.000 0.454 270 A N 0.050 122.514 122.820 -0.594 0.000 2.009 270 A HA -0.241 4.079 4.320 -0.000 0.000 0.222 270 A C 1.984 178.978 177.584 -0.984 0.000 1.175 270 A CA 1.932 53.514 52.037 -0.757 0.000 0.651 270 A CB -1.073 17.474 19.000 -0.755 0.000 0.815 270 A HN 0.507 nan 8.150 nan 0.000 0.459 271 Y N -0.994 118.977 120.300 -0.547 0.000 2.200 271 Y HA -0.101 4.449 4.550 -0.000 0.000 0.290 271 Y C 2.250 177.979 175.900 -0.286 0.000 1.137 271 Y CA 1.007 58.875 58.100 -0.386 0.000 1.163 271 Y CB -0.775 37.619 38.460 -0.110 0.000 0.988 271 Y HN 0.373 nan 8.280 nan 0.000 0.518 272 L N -0.730 120.416 121.223 -0.128 0.000 2.027 272 L HA -0.132 4.208 4.340 -0.000 0.000 0.206 272 L C 2.478 179.279 176.870 -0.115 0.000 1.074 272 L CA 2.017 56.811 54.840 -0.076 0.000 0.745 272 L CB -1.491 40.518 42.059 -0.082 0.000 0.898 272 L HN 0.161 nan 8.230 nan 0.000 0.433 273 S N -1.228 114.326 115.700 -0.244 0.000 2.389 273 S HA -0.272 4.198 4.470 -0.000 0.000 0.229 273 S C 1.857 176.305 174.600 -0.253 0.000 1.048 273 S CA 1.914 59.941 58.200 -0.287 0.000 1.117 273 S CB -0.522 62.421 63.200 -0.428 0.000 1.020 273 S HN 0.568 nan 8.310 nan 0.000 0.430 274 Y N 1.513 121.717 120.300 -0.161 0.000 2.194 274 Y HA -0.044 4.506 4.550 -0.000 0.000 0.239 274 Y C 3.001 178.897 175.900 -0.005 0.000 1.040 274 Y CA 0.722 58.766 58.100 -0.093 0.000 1.036 274 Y CB -1.562 36.890 38.460 -0.015 0.000 0.992 274 Y HN 0.221 nan 8.280 nan 0.000 0.486 275 S N 0.286 116.141 115.700 0.259 0.000 2.654 275 S HA -0.337 4.132 4.470 -0.000 0.000 0.329 275 S C 2.100 176.778 174.600 0.130 0.000 1.311 275 S CA 2.076 60.375 58.200 0.165 0.000 1.122 275 S CB -1.134 62.144 63.200 0.129 0.000 1.159 275 S HN 0.527 nan 8.310 nan 0.000 0.443 276 L N 0.715 121.984 121.223 0.077 0.000 2.131 276 L HA -0.039 4.300 4.340 -0.000 0.000 0.210 276 L C 1.966 178.921 176.870 0.142 0.000 1.092 276 L CA 1.621 56.488 54.840 0.046 0.000 0.759 276 L CB -0.650 41.345 42.059 -0.108 0.000 0.903 276 L HN 0.436 nan 8.230 nan 0.000 0.435 277 G N -1.591 107.343 108.800 0.223 0.000 3.210 277 G HA2 0.198 4.158 3.960 -0.000 0.000 0.220 277 G HA3 0.198 4.158 3.960 -0.000 0.000 0.220 277 G C 1.097 176.112 174.900 0.192 0.000 1.200 277 G CA 0.443 45.727 45.100 0.306 0.000 0.834 277 G HN 0.539 nan 8.290 nan 0.000 0.524 278 A N -0.257 122.663 122.820 0.167 0.000 2.140 278 A HA 0.433 4.753 4.320 -0.000 0.000 0.209 278 A C 2.090 179.743 177.584 0.114 0.000 1.181 278 A CA 0.110 52.223 52.037 0.126 0.000 0.824 278 A CB 0.062 19.134 19.000 0.120 0.000 0.879 278 A HN 0.300 nan 8.150 nan 0.000 0.480 279 L N -1.154 120.158 121.223 0.149 0.000 2.022 279 L HA -0.066 4.274 4.340 -0.000 0.000 0.204 279 L C 2.725 179.615 176.870 0.033 0.000 1.076 279 L CA 1.257 56.179 54.840 0.138 0.000 0.749 279 L CB -0.889 41.358 42.059 0.313 0.000 0.903 279 L HN 0.407 nan 8.230 nan 0.000 0.439 280 S N 0.330 116.078 115.700 0.080 0.000 2.422 280 S HA -0.404 4.065 4.470 -0.000 0.000 0.248 280 S C 2.124 176.504 174.600 -0.368 0.000 1.069 280 S CA 2.756 60.861 58.200 -0.159 0.000 1.214 280 S CB -0.467 62.690 63.200 -0.071 0.000 1.122 280 S HN 0.423 nan 8.310 nan 0.000 0.432 281 M N 0.105 119.623 119.600 -0.137 0.000 2.110 281 M HA -0.224 4.256 4.480 -0.000 0.000 0.257 281 M C 2.323 178.649 176.300 0.043 0.000 1.071 281 M CA 2.739 58.038 55.300 -0.001 0.000 1.096 281 M CB -0.380 32.278 32.600 0.096 0.000 1.300 281 M HN 0.551 nan 8.290 nan 0.000 0.411 282 M N 0.228 119.860 119.600 0.054 0.000 2.106 282 M HA -0.137 4.342 4.480 -0.000 0.000 0.259 282 M C 2.013 178.368 176.300 0.090 0.000 1.068 282 M CA 2.377 57.734 55.300 0.097 0.000 1.100 282 M CB -0.689 31.966 32.600 0.092 0.000 1.351 282 M HN 0.568 nan 8.290 nan 0.000 0.404 283 G N -0.754 108.044 108.800 -0.003 0.000 2.422 283 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 283 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 283 G C 1.111 176.115 174.900 0.172 0.000 1.146 283 G CA 0.638 45.761 45.100 0.038 0.000 0.769 283 G HN 0.387 nan 8.290 nan 0.000 0.547 284 F N 1.215 121.193 119.950 0.046 0.000 2.102 284 F HA 0.079 4.606 4.527 -0.000 0.000 0.298 284 F C 2.719 178.499 175.800 -0.032 0.000 1.105 284 F CA -0.037 57.932 58.000 -0.051 0.000 1.239 284 F CB -0.874 38.059 39.000 -0.111 0.000 0.991 284 F HN 0.068 nan 8.300 nan 0.000 0.474 285 I N -0.319 120.390 120.570 0.232 0.000 2.623 285 I HA -0.326 3.844 4.170 -0.000 0.000 0.261 285 I C 2.329 178.584 176.117 0.230 0.000 1.204 285 I CA 1.035 62.438 61.300 0.171 0.000 1.444 285 I CB -0.802 37.326 38.000 0.213 0.000 1.094 285 I HN 0.091 nan 8.210 nan 0.000 0.451 286 A N 0.439 123.387 122.820 0.214 0.000 1.859 286 A HA -0.078 4.242 4.320 -0.000 0.000 0.212 286 A C 2.337 180.005 177.584 0.141 0.000 1.238 286 A CA 1.477 53.627 52.037 0.188 0.000 0.613 286 A CB -1.044 18.055 19.000 0.165 0.000 0.904 286 A HN 0.248 nan 8.150 nan 0.000 0.457 287 T N -0.690 113.947 114.554 0.139 0.000 2.714 287 T HA -0.256 4.093 4.350 -0.000 0.000 0.268 287 T C 1.793 176.535 174.700 0.071 0.000 1.036 287 T CA 1.801 63.960 62.100 0.099 0.000 1.148 287 T CB -0.714 68.253 68.868 0.165 0.000 0.856 287 T HN 0.519 nan 8.240 nan 0.000 0.462 288 C N -0.209 119.118 119.300 0.043 0.000 2.481 288 C HA 0.246 4.706 4.460 -0.000 0.000 0.275 288 C C 2.125 177.166 174.990 0.084 0.000 1.419 288 C CA -0.276 58.725 59.018 -0.028 0.000 1.773 288 C CB -1.567 26.057 27.740 -0.193 0.000 1.862 288 C HN 0.657 nan 8.230 nan 0.000 0.530 289 F N -1.019 118.927 119.950 -0.007 0.000 2.383 289 F HA 0.086 4.612 4.527 -0.000 0.000 0.287 289 F C 2.136 177.881 175.800 -0.092 0.000 1.069 289 F CA 0.691 58.697 58.000 0.009 0.000 1.402 289 F CB 0.017 39.046 39.000 0.048 0.000 1.116 289 F HN -0.069 nan 8.300 nan 0.000 0.549 290 V N 0.562 120.468 119.914 -0.014 0.000 3.141 290 V HA -0.237 3.882 4.120 -0.000 0.000 0.265 290 V C 1.479 177.480 176.094 -0.156 0.000 1.126 290 V CA 1.318 63.262 62.300 -0.593 0.000 1.141 290 V CB -0.451 31.029 31.823 -0.571 0.000 0.743 290 V HN 0.646 nan 8.190 nan 0.000 0.492 291 W N -1.514 119.734 121.300 -0.087 0.000 2.812 291 W HA 0.033 4.693 4.660 -0.000 0.000 0.263 291 W C 1.562 178.019 176.519 -0.104 0.000 1.284 291 W CA 0.250 57.557 57.345 -0.063 0.000 1.430 291 W CB 0.221 29.726 29.460 0.075 0.000 1.088 291 W HN 0.369 nan 8.180 nan 0.000 0.623 292 F N -0.050 119.898 119.950 -0.003 0.000 2.653 292 F HA 0.140 4.667 4.527 -0.001 0.000 0.288 292 F C 0.741 176.521 175.800 -0.033 0.000 1.121 292 F CA 0.042 57.986 58.000 -0.093 0.000 1.384 292 F CB -0.225 38.720 39.000 -0.091 0.000 1.115 292 F HN -0.348 nan 8.300 nan 0.000 0.599 293 N N 0.372 119.226 118.700 0.257 0.000 2.456 293 N HA 0.098 4.837 4.740 -0.000 0.000 0.288 293 N C 0.289 175.966 175.510 0.279 0.000 1.059 293 N CA 0.069 53.302 53.050 0.305 0.000 0.946 293 N CB 0.678 39.488 38.487 0.539 0.000 1.150 293 N HN -0.129 nan 8.380 nan 0.000 0.479 294 N N 1.388 120.252 118.700 0.273 0.000 2.325 294 N HA 0.011 4.750 4.740 -0.000 0.000 0.182 294 N C 0.594 176.309 175.510 0.343 0.000 1.088 294 N CA 0.458 53.685 53.050 0.295 0.000 0.879 294 N CB 0.467 39.162 38.487 0.347 0.000 0.983 294 N HN 0.515 nan 8.380 nan 0.000 0.471 295 T N 0.288 115.041 114.554 0.332 0.000 2.643 295 T HA -0.065 4.284 4.350 -0.000 0.000 0.256 295 T C 1.852 176.679 174.700 0.212 0.000 1.061 295 T CA 1.813 64.085 62.100 0.286 0.000 1.163 295 T CB -0.191 68.764 68.868 0.145 0.000 0.865 295 T HN 0.174 nan 8.240 nan 0.000 0.407 296 V N -1.663 118.337 119.914 0.143 0.000 3.380 296 V HA 0.215 4.335 4.120 -0.000 0.000 0.268 296 V C -0.084 175.763 176.094 -0.412 0.000 1.168 296 V CA 0.611 62.843 62.300 -0.113 0.000 1.156 296 V CB -1.113 30.566 31.823 -0.239 0.000 0.785 296 V HN 0.495 nan 8.190 nan 0.000 0.487 297 Y N -0.411 119.905 120.300 0.026 0.000 2.563 297 Y HA 0.479 5.029 4.550 -0.000 0.000 0.351 297 Y C -2.068 173.888 175.900 0.093 0.000 1.087 297 Y CA -1.957 56.016 58.100 -0.212 0.000 1.272 297 Y CB 1.517 39.575 38.460 -0.669 0.000 1.095 297 Y HN 0.067 nan 8.280 nan 0.000 0.620 298 P HA -0.215 nan 4.420 nan 0.000 0.219 298 P C 0.848 178.213 177.300 0.108 0.000 1.144 298 P CA 2.306 65.498 63.100 0.153 0.000 0.806 298 P CB 0.291 31.866 31.700 -0.207 0.000 0.771 299 S N -2.971 112.858 115.700 0.216 0.000 2.361 299 S HA -0.252 4.217 4.470 -0.000 0.000 0.247 299 S C 1.092 175.751 174.600 0.097 0.000 1.218 299 S CA 1.682 59.921 58.200 0.064 0.000 1.502 299 S CB -1.966 61.150 63.200 -0.140 0.000 1.893 299 S HN 0.389 nan 8.310 nan 0.000 0.610 300 E N -0.395 119.760 120.200 -0.075 0.000 2.435 300 E HA 0.202 4.552 4.350 -0.000 0.000 0.195 300 E C 1.081 177.690 176.600 0.016 0.000 1.029 300 E CA 0.797 57.142 56.400 -0.093 0.000 0.865 300 E CB 0.040 29.441 29.700 -0.499 0.000 0.833 300 E HN 0.696 nan 8.360 nan 0.000 0.510 301 F N -2.019 118.000 119.950 0.115 0.000 2.699 301 F HA 0.275 4.802 4.527 -0.000 0.000 0.295 301 F C 0.341 176.060 175.800 -0.136 0.000 1.052 301 F CA -0.479 57.446 58.000 -0.124 0.000 1.239 301 F CB -0.108 38.659 39.000 -0.387 0.000 1.018 301 F HN -0.143 nan 8.300 nan 0.000 0.627 302 Y N -0.374 120.131 120.300 0.341 0.000 2.699 302 Y HA 0.682 5.232 4.550 -0.000 0.000 0.326 302 Y C 1.148 177.091 175.900 0.072 0.000 1.141 302 Y CA -1.381 56.863 58.100 0.240 0.000 1.246 302 Y CB -0.123 38.437 38.460 0.167 0.000 1.426 302 Y HN -0.107 nan 8.280 nan 0.000 0.559 303 G N 0.309 109.154 108.800 0.074 0.000 2.588 303 G HA2 0.435 4.395 3.960 -0.000 0.000 0.281 303 G HA3 0.435 4.395 3.960 -0.000 0.000 0.281 303 G C -2.757 171.862 174.900 -0.468 0.000 1.236 303 G CA -1.613 43.265 45.100 -0.370 0.000 0.969 303 G HN 0.317 nan 8.290 nan 0.000 0.504 304 P HA 0.134 nan 4.420 nan 0.000 0.276 304 P C 0.135 177.107 177.300 -0.547 0.000 1.230 304 P CA -0.010 62.617 63.100 -0.788 0.000 0.776 304 P CB 1.028 32.068 31.700 -1.100 0.000 0.888 305 T N 2.551 116.808 114.554 -0.494 0.000 2.934 305 T HA 0.130 4.479 4.350 -0.000 0.000 0.306 305 T C 2.009 176.211 174.700 -0.830 0.000 1.042 305 T CA 0.920 62.630 62.100 -0.650 0.000 1.145 305 T CB -0.303 68.249 68.868 -0.526 0.000 0.982 305 T HN 0.550 nan 8.240 nan 0.000 0.544 306 G N 7.014 115.118 108.800 -1.159 0.000 2.843 306 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.232 306 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.232 306 G C -0.962 173.399 174.900 -0.898 0.000 1.186 306 G CA 1.391 45.875 45.100 -1.027 0.000 0.766 306 G HN 0.646 nan 8.290 nan 0.000 0.647 307 P HA -0.023 nan 4.420 nan 0.000 0.215 307 P C 1.638 178.504 177.300 -0.724 0.000 1.153 307 P CA 1.577 63.781 63.100 -1.495 0.000 0.853 307 P CB -0.101 30.752 31.700 -1.412 0.000 0.788 308 E N -0.249 119.393 120.200 -0.929 0.000 2.086 308 E HA -0.296 4.054 4.350 -0.000 0.000 0.200 308 E C 1.799 178.120 176.600 -0.465 0.000 1.012 308 E CA 1.546 57.253 56.400 -1.156 0.000 0.812 308 E CB -0.642 28.525 29.700 -0.889 0.000 0.743 308 E HN 0.053 nan 8.360 nan 0.000 0.453 309 A N 0.543 123.137 122.820 -0.377 0.000 1.849 309 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 309 A C 2.366 179.892 177.584 -0.097 0.000 1.225 309 A CA 2.198 54.112 52.037 -0.205 0.000 0.653 309 A CB -1.385 17.493 19.000 -0.202 0.000 0.844 309 A HN 0.356 nan 8.150 nan 0.000 0.453 310 S N -1.131 114.565 115.700 -0.006 0.000 2.571 310 S HA -0.122 4.348 4.470 -0.000 0.000 0.245 310 S C 1.736 176.357 174.600 0.035 0.000 0.976 310 S CA 1.277 59.513 58.200 0.060 0.000 0.954 310 S CB -0.402 62.904 63.200 0.176 0.000 0.756 310 S HN 0.543 nan 8.310 nan 0.000 0.535 311 Q N -0.497 119.295 119.800 -0.014 0.000 2.442 311 Q HA 0.309 4.648 4.340 -0.000 0.000 0.228 311 Q C 2.455 178.418 176.000 -0.062 0.000 0.902 311 Q CA 0.933 56.672 55.803 -0.107 0.000 0.933 311 Q CB -0.559 28.102 28.738 -0.127 0.000 1.071 311 Q HN 0.549 nan 8.270 nan 0.000 0.562 312 A N 1.369 124.224 122.820 0.057 0.000 1.902 312 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 312 A C 2.075 179.633 177.584 -0.044 0.000 1.181 312 A CA 1.781 53.789 52.037 -0.049 0.000 0.623 312 A CB -0.586 18.279 19.000 -0.226 0.000 0.818 312 A HN 0.376 nan 8.150 nan 0.000 0.443 313 Q N -0.461 119.321 119.800 -0.030 0.000 2.030 313 Q HA -0.210 4.129 4.340 -0.000 0.000 0.204 313 Q C 2.278 178.325 176.000 0.077 0.000 0.986 313 Q CA 1.861 57.666 55.803 0.003 0.000 0.843 313 Q CB -0.408 28.273 28.738 -0.095 0.000 0.904 313 Q HN 0.607 nan 8.270 nan 0.000 0.420 314 A N 1.046 123.886 122.820 0.033 0.000 1.852 314 A HA -0.327 3.992 4.320 -0.000 0.000 0.217 314 A C 2.077 179.870 177.584 0.349 0.000 1.215 314 A CA 2.319 54.462 52.037 0.177 0.000 0.641 314 A CB -1.047 18.033 19.000 0.134 0.000 0.838 314 A HN 0.590 nan 8.150 nan 0.000 0.450 315 M N -0.047 119.694 119.600 0.235 0.000 2.103 315 M HA -0.193 4.287 4.480 -0.000 0.000 0.255 315 M C 2.013 178.492 176.300 0.298 0.000 1.074 315 M CA 2.821 58.372 55.300 0.417 0.000 1.090 315 M CB -1.209 31.612 32.600 0.367 0.000 1.325 315 M HN 0.492 nan 8.290 nan 0.000 0.403 316 T N -0.126 114.557 114.554 0.216 0.000 2.684 316 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 316 T C 1.445 176.266 174.700 0.201 0.000 1.036 316 T CA 1.861 64.061 62.100 0.167 0.000 1.148 316 T CB -0.534 68.436 68.868 0.171 0.000 0.863 316 T HN 0.340 nan 8.240 nan 0.000 0.436 317 F N 0.729 120.734 119.950 0.092 0.000 2.456 317 F HA 0.275 4.802 4.527 -0.000 0.000 0.298 317 F C 2.019 177.953 175.800 0.223 0.000 1.104 317 F CA -0.384 57.682 58.000 0.110 0.000 1.435 317 F CB -0.646 38.383 39.000 0.047 0.000 1.078 317 F HN 0.070 nan 8.300 nan 0.000 0.546 318 L N -0.236 121.263 121.223 0.460 0.000 2.083 318 L HA -0.209 4.130 4.340 -0.000 0.000 0.209 318 L C 2.050 179.080 176.870 0.267 0.000 1.083 318 L CA 1.563 56.689 54.840 0.477 0.000 0.752 318 L CB -0.246 42.047 42.059 0.390 0.000 0.899 318 L HN 0.112 nan 8.230 nan 0.000 0.433 319 I N -0.753 119.932 120.570 0.191 0.000 2.277 319 I HA -0.250 3.919 4.170 -0.000 0.000 0.243 319 I C 2.723 178.860 176.117 0.033 0.000 1.094 319 I CA 0.781 62.129 61.300 0.080 0.000 1.393 319 I CB -0.461 37.567 38.000 0.047 0.000 1.078 319 I HN 0.244 nan 8.210 nan 0.000 0.417 320 R N 1.153 121.648 120.500 -0.009 0.000 2.113 320 R HA -0.247 4.093 4.340 -0.000 0.000 0.244 320 R C 1.704 177.999 176.300 -0.008 0.000 1.142 320 R CA 2.548 58.594 56.100 -0.090 0.000 0.953 320 R CB -0.232 29.886 30.300 -0.303 0.000 0.860 320 R HN 0.377 nan 8.270 nan 0.000 0.438 321 D N -0.580 119.881 120.400 0.101 0.000 2.149 321 D HA -0.150 4.489 4.640 -0.000 0.000 0.206 321 D C 1.834 178.143 176.300 0.015 0.000 0.967 321 D CA 0.711 54.783 54.000 0.120 0.000 0.848 321 D CB -0.550 40.467 40.800 0.362 0.000 0.998 321 D HN 0.316 nan 8.370 nan 0.000 0.474 322 Q N 0.764 120.548 119.800 -0.026 0.000 2.112 322 Q HA -0.230 4.109 4.340 -0.000 0.000 0.206 322 Q C 1.951 177.924 176.000 -0.045 0.000 0.987 322 Q CA 1.563 57.316 55.803 -0.084 0.000 0.858 322 Q CB 0.047 28.738 28.738 -0.078 0.000 0.905 322 Q HN 0.116 nan 8.270 nan 0.000 0.420 323 K N -0.268 120.118 120.400 -0.023 0.000 2.217 323 K HA -0.090 4.230 4.320 -0.000 0.000 0.202 323 K C 1.738 178.325 176.600 -0.022 0.000 1.051 323 K CA 0.424 56.697 56.287 -0.024 0.000 0.952 323 K CB 0.107 32.592 32.500 -0.025 0.000 0.736 323 K HN 0.189 nan 8.250 nan 0.000 0.453 324 L N -0.438 120.775 121.223 -0.015 0.000 2.554 324 L HA 0.136 4.476 4.340 -0.000 0.000 0.226 324 L C 0.809 177.672 176.870 -0.011 0.000 1.137 324 L CA 1.215 56.049 54.840 -0.010 0.000 0.863 324 L CB 0.686 42.747 42.059 0.003 0.000 0.985 324 L HN 0.434 nan 8.230 nan 0.000 0.451 325 G N -1.881 106.905 108.800 -0.023 0.000 2.159 325 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.170 325 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.170 325 G C 0.295 175.171 174.900 -0.042 0.000 1.007 325 G CA -0.151 44.932 45.100 -0.029 0.000 0.672 325 G HN 0.611 nan 8.290 nan 0.000 0.507 326 A N 0.532 123.314 122.820 -0.063 0.000 2.293 326 A HA 0.668 4.987 4.320 -0.000 0.000 0.302 326 A C 1.437 178.920 177.584 -0.169 0.000 1.119 326 A CA 0.354 52.328 52.037 -0.105 0.000 0.823 326 A CB 0.368 19.296 19.000 -0.121 0.000 1.097 326 A HN 0.708 nan 8.150 nan 0.000 0.491 327 N N 1.176 119.779 118.700 -0.162 0.000 2.396 327 N HA -0.134 4.606 4.740 -0.000 0.000 0.180 327 N C 1.018 176.384 175.510 -0.240 0.000 1.028 327 N CA 1.609 54.567 53.050 -0.154 0.000 0.893 327 N CB -0.681 37.744 38.487 -0.103 0.000 0.967 327 N HN 0.818 nan 8.380 nan 0.000 0.440 328 V N 0.179 119.827 119.914 -0.442 0.000 0.654 328 V HA -0.413 3.707 4.120 -0.000 0.000 0.092 328 V C 2.287 178.209 176.094 -0.286 0.000 1.273 328 V CA 2.209 64.104 62.300 -0.675 0.000 3.214 328 V CB -2.217 29.305 31.823 -0.503 0.000 0.444 328 V HN 0.431 nan 8.190 nan 0.000 0.438 329 G N -0.692 108.003 108.800 -0.176 0.000 2.547 329 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.221 329 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.221 329 G C 1.266 176.134 174.900 -0.054 0.000 1.140 329 G CA 1.866 46.911 45.100 -0.092 0.000 0.760 329 G HN 1.290 nan 8.290 nan 0.000 0.583 330 S N 0.306 115.970 115.700 -0.060 0.000 2.526 330 S HA 0.630 5.099 4.470 -0.000 0.000 0.247 330 S C 0.488 175.084 174.600 -0.007 0.000 1.076 330 S CA 0.197 58.379 58.200 -0.029 0.000 1.105 330 S CB -0.398 62.783 63.200 -0.032 0.000 0.793 330 S HN 0.592 nan 8.310 nan 0.000 0.458 331 A N 1.860 124.694 122.820 0.024 0.000 2.280 331 A HA 0.437 4.757 4.320 -0.000 0.000 0.320 331 A C 0.116 177.770 177.584 0.118 0.000 1.366 331 A CA -0.519 51.576 52.037 0.096 0.000 0.938 331 A CB 0.255 19.378 19.000 0.206 0.000 1.157 331 A HN 0.640 nan 8.150 nan 0.000 0.536 332 Q N 2.535 122.376 119.800 0.069 0.000 2.244 332 Q HA 0.278 4.617 4.340 -0.000 0.000 0.276 332 Q C 0.581 176.610 176.000 0.048 0.000 1.122 332 Q CA 0.193 56.024 55.803 0.047 0.000 0.920 332 Q CB 0.389 29.142 28.738 0.026 0.000 1.186 332 Q HN 0.792 nan 8.270 nan 0.000 0.393 333 G N 4.934 113.755 108.800 0.035 0.000 2.476 333 G HA2 0.204 4.164 3.960 -0.000 0.000 0.269 333 G HA3 0.204 4.164 3.960 -0.000 0.000 0.269 333 G C -1.780 173.116 174.900 -0.007 0.000 1.195 333 G CA -1.279 43.825 45.100 0.008 0.000 0.843 333 G HN 0.592 nan 8.290 nan 0.000 0.545 334 P HA -0.313 nan 4.420 nan 0.000 0.226 334 P C 2.286 179.575 177.300 -0.019 0.000 1.154 334 P CA 2.766 65.854 63.100 -0.019 0.000 0.918 334 P CB 0.144 31.826 31.700 -0.030 0.000 0.790 335 T N -4.076 110.464 114.554 -0.024 0.000 2.812 335 T HA 0.077 4.427 4.350 -0.000 0.000 0.264 335 T C 1.488 176.177 174.700 -0.019 0.000 1.042 335 T CA 2.040 64.125 62.100 -0.024 0.000 1.140 335 T CB -0.555 68.294 68.868 -0.030 0.000 0.870 335 T HN 0.284 nan 8.240 nan 0.000 0.445 336 G N -0.368 108.423 108.800 -0.016 0.000 2.902 336 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.215 336 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.215 336 G C 0.786 175.679 174.900 -0.013 0.000 0.976 336 G CA 0.244 45.337 45.100 -0.013 0.000 0.794 336 G HN 0.459 nan 8.290 nan 0.000 0.557 337 L N 0.410 121.624 121.223 -0.015 0.000 2.130 337 L HA 0.553 4.892 4.340 -0.000 0.000 0.200 337 L C 1.369 178.238 176.870 -0.002 0.000 1.075 337 L CA 1.512 56.343 54.840 -0.015 0.000 0.768 337 L CB 0.228 42.272 42.059 -0.024 0.000 0.933 337 L HN 0.806 nan 8.230 nan 0.000 0.451 338 G N -0.698 108.106 108.800 0.006 0.000 2.634 338 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.568 338 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.568 338 G C -0.297 174.619 174.900 0.027 0.000 1.495 338 G CA -0.547 44.575 45.100 0.038 0.000 0.903 338 G HN -0.038 nan 8.290 nan 0.000 0.646 339 K N 0.791 121.204 120.400 0.022 0.000 1.968 339 K HA -0.048 4.272 4.320 -0.000 0.000 0.215 339 K C 1.962 178.500 176.600 -0.104 0.000 1.040 339 K CA 2.074 58.273 56.287 -0.147 0.000 0.959 339 K CB -0.219 32.006 32.500 -0.459 0.000 0.740 339 K HN 0.639 nan 8.250 nan 0.000 0.443 340 Y N 1.036 121.359 120.300 0.039 0.000 2.181 340 Y HA -0.041 4.509 4.550 -0.000 0.000 0.288 340 Y C 1.196 177.093 175.900 -0.005 0.000 1.146 340 Y CA 0.116 58.246 58.100 0.049 0.000 1.164 340 Y CB -0.222 38.261 38.460 0.039 0.000 0.982 340 Y HN -0.068 nan 8.280 nan 0.000 0.515 341 L N 0.474 121.795 121.223 0.163 0.000 2.386 341 L HA 0.513 4.853 4.340 -0.000 0.000 0.271 341 L C -0.470 176.410 176.870 0.017 0.000 0.993 341 L CA -0.618 54.238 54.840 0.026 0.000 0.819 341 L CB 2.349 44.390 42.059 -0.031 0.000 1.294 341 L HN 0.178 nan 8.230 nan 0.000 0.414 342 M N 1.915 121.510 119.600 -0.010 0.000 2.846 342 M HA 0.572 5.052 4.480 -0.000 0.000 0.282 342 M C -1.549 174.715 176.300 -0.059 0.000 1.266 342 M CA -0.763 54.522 55.300 -0.025 0.000 0.766 342 M CB 2.954 35.545 32.600 -0.015 0.000 1.739 342 M HN 0.502 nan 8.290 nan 0.000 0.442 343 R N 0.740 121.189 120.500 -0.085 0.000 2.561 343 R HA 0.503 4.842 4.340 -0.000 0.000 0.297 343 R C -1.497 174.681 176.300 -0.203 0.000 0.969 343 R CA -0.285 55.738 56.100 -0.129 0.000 0.879 343 R CB 2.285 32.525 30.300 -0.100 0.000 1.178 343 R HN 0.777 nan 8.270 nan 0.000 0.445 344 S N 3.010 118.508 115.700 -0.337 0.000 2.651 344 S HA 0.432 4.902 4.470 -0.000 0.000 0.291 344 S C -1.418 172.943 174.600 -0.397 0.000 1.141 344 S CA -1.763 56.121 58.200 -0.528 0.000 1.027 344 S CB 1.254 63.737 63.200 -1.195 0.000 1.043 344 S HN 0.532 nan 8.310 nan 0.000 0.530 345 P HA -0.082 nan 4.420 nan 0.000 0.215 345 P C 1.330 178.551 177.300 -0.132 0.000 1.157 345 P CA 1.889 64.887 63.100 -0.170 0.000 0.863 345 P CB -0.479 31.164 31.700 -0.096 0.000 0.787 346 T N -2.232 112.243 114.554 -0.132 0.000 2.837 346 T HA 0.175 4.524 4.350 -0.000 0.000 0.242 346 T C 1.499 176.201 174.700 0.003 0.000 1.044 346 T CA 0.512 62.617 62.100 0.007 0.000 1.202 346 T CB -1.507 67.473 68.868 0.186 0.000 0.905 346 T HN 0.119 nan 8.240 nan 0.000 0.413 347 G N 1.761 110.573 108.800 0.019 0.000 2.361 347 G HA2 0.292 4.252 3.960 -0.000 0.000 0.260 347 G HA3 0.292 4.252 3.960 -0.000 0.000 0.260 347 G C 0.670 175.456 174.900 -0.189 0.000 1.261 347 G CA -0.211 44.918 45.100 0.048 0.000 0.897 347 G HN 0.575 nan 8.290 nan 0.000 0.499 348 E N 2.276 122.431 120.200 -0.076 0.000 2.077 348 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 348 E C 0.281 176.813 176.600 -0.113 0.000 0.989 348 E CA 0.745 57.085 56.400 -0.101 0.000 0.800 348 E CB 0.045 29.716 29.700 -0.048 0.000 0.746 348 E HN 0.500 nan 8.360 nan 0.000 0.452 349 I N 1.534 122.069 120.570 -0.058 0.000 2.436 349 I HA 0.316 4.486 4.170 -0.000 0.000 0.289 349 I C -0.738 175.391 176.117 0.020 0.000 1.010 349 I CA -1.048 60.228 61.300 -0.041 0.000 1.098 349 I CB 1.584 39.562 38.000 -0.037 0.000 1.266 349 I HN 0.069 nan 8.210 nan 0.000 0.434 350 I N 2.402 122.978 120.570 0.011 0.000 3.149 350 I HA 0.466 4.635 4.170 -0.000 0.000 0.310 350 I C -0.704 175.465 176.117 0.087 0.000 1.343 350 I CA -0.957 60.423 61.300 0.133 0.000 0.955 350 I CB 0.540 38.725 38.000 0.309 0.000 1.309 350 I HN 0.164 nan 8.210 nan 0.000 0.478 351 F N 1.221 121.242 119.950 0.118 0.000 2.595 351 F HA 0.508 5.034 4.527 -0.001 0.000 0.359 351 F C 1.300 177.137 175.800 0.063 0.000 1.147 351 F CA 0.845 58.908 58.000 0.104 0.000 1.341 351 F CB 0.499 39.578 39.000 0.131 0.000 1.104 351 F HN 0.668 nan 8.300 nan 0.000 0.603 352 G N 0.413 109.329 108.800 0.192 0.000 2.513 352 G HA2 0.594 4.554 3.960 -0.000 0.000 0.317 352 G HA3 0.594 4.554 3.960 -0.000 0.000 0.317 352 G C -0.323 174.601 174.900 0.040 0.000 1.277 352 G CA -0.092 45.058 45.100 0.084 0.000 0.955 352 G HN 0.984 nan 8.290 nan 0.000 0.484 353 G N 0.593 109.388 108.800 -0.009 0.000 3.262 353 G HA2 0.214 4.174 3.960 -0.000 0.000 0.148 353 G HA3 0.214 4.174 3.960 -0.000 0.000 0.148 353 G C 0.202 175.056 174.900 -0.078 0.000 1.197 353 G CA 0.438 45.504 45.100 -0.056 0.000 1.469 353 G HN 0.584 nan 8.290 nan 0.000 0.717 354 E N 0.144 120.279 120.200 -0.109 0.000 2.572 354 E HA 0.088 4.438 4.350 -0.000 0.000 0.220 354 E C 2.206 178.669 176.600 -0.228 0.000 0.945 354 E CA 0.991 57.305 56.400 -0.142 0.000 1.070 354 E CB 0.439 30.057 29.700 -0.137 0.000 1.090 354 E HN 0.440 nan 8.360 nan 0.000 0.506 355 T N 0.013 114.455 114.554 -0.185 0.000 2.822 355 T HA -0.300 4.050 4.350 -0.000 0.000 0.270 355 T C 2.047 176.630 174.700 -0.195 0.000 1.064 355 T CA 1.766 63.740 62.100 -0.210 0.000 1.131 355 T CB -0.619 68.230 68.868 -0.032 0.000 0.858 355 T HN 0.342 nan 8.240 nan 0.000 0.483 356 M N 1.193 120.743 119.600 -0.084 0.000 2.124 356 M HA -0.270 4.210 4.480 -0.000 0.000 0.253 356 M C 2.382 178.726 176.300 0.073 0.000 1.077 356 M CA 2.400 57.714 55.300 0.023 0.000 1.085 356 M CB -1.066 31.522 32.600 -0.019 0.000 1.320 356 M HN 0.176 nan 8.290 nan 0.000 0.404 357 R N 0.450 120.862 120.500 -0.147 0.000 2.204 357 R HA -0.127 4.212 4.340 -0.000 0.000 0.253 357 R C 1.097 177.552 176.300 0.258 0.000 1.172 357 R CA 1.795 57.853 56.100 -0.071 0.000 0.994 357 R CB -0.858 29.206 30.300 -0.395 0.000 0.874 357 R HN 0.571 nan 8.270 nan 0.000 0.462 358 F N 0.394 120.450 119.950 0.177 0.000 2.750 358 F HA 0.146 4.673 4.527 -0.000 0.000 0.297 358 F C 1.297 177.216 175.800 0.198 0.000 1.138 358 F CA -1.249 56.828 58.000 0.128 0.000 1.346 358 F CB 0.110 39.128 39.000 0.029 0.000 0.965 358 F HN 0.187 nan 8.300 nan 0.000 0.514 359 W N 0.950 122.399 121.300 0.248 0.000 2.848 359 W HA -0.019 4.641 4.660 -0.000 0.000 0.241 359 W C 0.011 176.643 176.519 0.187 0.000 1.289 359 W CA 0.306 57.777 57.345 0.210 0.000 1.396 359 W CB -0.695 28.854 29.460 0.148 0.000 1.138 359 W HN 0.205 nan 8.180 nan 0.000 0.677 360 D N 0.529 120.699 120.400 -0.383 0.000 2.354 360 D HA -0.051 4.589 4.640 -0.000 0.000 0.209 360 D C 0.454 176.663 176.300 -0.153 0.000 1.015 360 D CA -0.050 53.648 54.000 -0.504 0.000 0.867 360 D CB -0.255 40.298 40.800 -0.411 0.000 0.933 360 D HN 0.042 nan 8.370 nan 0.000 0.520 361 F N 3.132 123.017 119.950 -0.108 0.000 2.578 361 F HA 0.145 4.672 4.527 -0.000 0.000 0.376 361 F C 0.160 175.904 175.800 -0.094 0.000 1.085 361 F CA -0.150 57.791 58.000 -0.098 0.000 1.260 361 F CB 0.439 39.379 39.000 -0.099 0.000 1.095 361 F HN -0.367 nan 8.300 nan 0.000 0.573 362 R N 4.633 124.427 120.500 -1.175 0.000 2.538 362 R HA 0.610 4.949 4.340 -0.000 0.000 0.292 362 R C -0.548 175.120 176.300 -1.053 0.000 1.008 362 R CA -0.795 54.697 56.100 -1.013 0.000 0.896 362 R CB 1.442 31.613 30.300 -0.215 0.000 1.187 362 R HN 0.947 nan 8.270 nan 0.000 0.440 363 G N 1.992 110.095 108.800 -1.161 0.000 2.690 363 G HA2 0.458 4.418 3.960 -0.000 0.000 0.293 363 G HA3 0.458 4.418 3.960 -0.000 0.000 0.293 363 G C -2.501 171.943 174.900 -0.759 0.000 1.399 363 G CA -1.168 43.538 45.100 -0.658 0.000 0.890 363 G HN 0.117 nan 8.290 nan 0.000 0.485 364 P HA -0.051 nan 4.420 nan 0.000 0.220 364 P C 1.642 178.894 177.300 -0.080 0.000 1.148 364 P CA 1.002 63.808 63.100 -0.490 0.000 0.803 364 P CB 0.106 31.599 31.700 -0.346 0.000 0.782 365 W N -0.971 120.310 121.300 -0.032 0.000 2.825 365 W HA 0.113 4.773 4.660 -0.001 0.000 0.243 365 W C 0.451 176.873 176.519 -0.161 0.000 1.293 365 W CA 0.110 57.394 57.345 -0.102 0.000 1.403 365 W CB -0.695 28.706 29.460 -0.099 0.000 1.134 365 W HN -0.038 nan 8.180 nan 0.000 0.666 366 L N 0.614 121.540 121.223 -0.496 0.000 3.128 366 L HA 0.261 4.600 4.340 -0.000 0.000 0.277 366 L C 2.080 178.793 176.870 -0.262 0.000 1.171 366 L CA 0.706 55.276 54.840 -0.451 0.000 1.008 366 L CB -0.163 41.347 42.059 -0.915 0.000 1.442 366 L HN -0.369 nan 8.230 nan 0.000 0.584 367 E N 0.568 120.592 120.200 -0.294 0.000 2.150 367 E HA -0.061 4.288 4.350 -0.000 0.000 0.193 367 E C -0.637 175.924 176.600 -0.065 0.000 0.985 367 E CA 1.088 57.379 56.400 -0.182 0.000 0.814 367 E CB -1.255 28.293 29.700 -0.252 0.000 0.752 367 E HN 0.398 nan 8.360 nan 0.000 0.466 368 P HA -0.128 nan 4.420 nan 0.000 0.215 368 P C 0.706 178.015 177.300 0.015 0.000 1.157 368 P CA 0.951 64.068 63.100 0.028 0.000 0.874 368 P CB -0.015 31.734 31.700 0.082 0.000 0.790 369 L N -0.719 120.504 121.223 -0.000 0.000 2.650 369 L HA 0.121 4.461 4.340 -0.000 0.000 0.239 369 L C 0.886 177.765 176.870 0.013 0.000 1.412 369 L CA -0.156 54.690 54.840 0.010 0.000 1.219 369 L CB -0.876 41.198 42.059 0.025 0.000 1.534 369 L HN -0.033 nan 8.230 nan 0.000 0.430 370 R N 0.115 120.622 120.500 0.013 0.000 2.919 370 R HA 0.865 5.205 4.340 -0.000 0.000 0.260 370 R C -0.359 175.955 176.300 0.025 0.000 1.067 370 R CA -0.317 55.797 56.100 0.022 0.000 1.003 370 R CB 1.983 32.297 30.300 0.022 0.000 1.192 370 R HN 0.128 nan 8.270 nan 0.000 0.488 371 G N 0.756 109.576 108.800 0.032 0.000 2.727 371 G HA2 0.410 4.370 3.960 -0.000 0.000 0.289 371 G HA3 0.410 4.370 3.960 -0.000 0.000 0.289 371 G C -2.262 172.660 174.900 0.038 0.000 1.418 371 G CA -1.195 43.923 45.100 0.028 0.000 0.818 371 G HN 0.489 nan 8.290 nan 0.000 0.486 372 P HA -0.073 nan 4.420 nan 0.000 0.211 372 P C 1.507 178.833 177.300 0.042 0.000 1.179 372 P CA 0.940 64.061 63.100 0.035 0.000 0.910 372 P CB 0.253 31.969 31.700 0.026 0.000 0.785 373 N N -0.842 117.877 118.700 0.032 0.000 2.453 373 N HA 0.016 4.756 4.740 -0.000 0.000 0.183 373 N C 1.276 176.813 175.510 0.044 0.000 1.041 373 N CA 1.574 54.642 53.050 0.030 0.000 0.900 373 N CB 0.070 38.563 38.487 0.011 0.000 0.961 373 N HN 0.287 nan 8.380 nan 0.000 0.443 374 G N -0.327 108.503 108.800 0.050 0.000 2.292 374 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.194 374 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.194 374 G C -1.342 173.582 174.900 0.040 0.000 1.329 374 G CA -0.847 44.296 45.100 0.071 0.000 1.100 374 G HN 0.055 nan 8.290 nan 0.000 0.470 375 L N 2.026 123.262 121.223 0.021 0.000 2.513 375 L HA 0.225 4.564 4.340 -0.000 0.000 0.272 375 L C 0.188 177.032 176.870 -0.044 0.000 1.187 375 L CA -0.037 54.785 54.840 -0.031 0.000 0.895 375 L CB 0.561 42.541 42.059 -0.132 0.000 1.147 375 L HN 0.562 nan 8.230 nan 0.000 0.483 376 D N 3.679 124.058 120.400 -0.034 0.000 2.249 376 D HA 0.007 4.646 4.640 -0.000 0.000 0.246 376 D C 0.863 177.135 176.300 -0.047 0.000 1.114 376 D CA -0.541 53.440 54.000 -0.031 0.000 0.854 376 D CB 1.550 42.343 40.800 -0.012 0.000 1.132 376 D HN 0.448 nan 8.370 nan 0.000 0.461 377 L N 5.165 126.358 121.223 -0.049 0.000 2.046 377 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 377 L C 1.336 178.179 176.870 -0.044 0.000 1.077 377 L CA 1.759 56.566 54.840 -0.056 0.000 0.747 377 L CB -0.920 41.108 42.059 -0.053 0.000 0.896 377 L HN 0.440 nan 8.230 nan 0.000 0.432 378 N N 0.083 118.765 118.700 -0.031 0.000 2.084 378 N HA -0.179 4.560 4.740 -0.000 0.000 0.190 378 N C 1.711 177.210 175.510 -0.018 0.000 1.030 378 N CA 1.580 54.616 53.050 -0.022 0.000 0.849 378 N CB -0.029 38.450 38.487 -0.014 0.000 1.012 378 N HN 0.376 nan 8.380 nan 0.000 0.423 379 K N 0.391 120.782 120.400 -0.015 0.000 1.965 379 K HA -0.069 4.250 4.320 -0.000 0.000 0.214 379 K C 1.848 178.439 176.600 -0.015 0.000 1.042 379 K CA 0.910 57.192 56.287 -0.008 0.000 0.950 379 K CB -0.615 31.884 32.500 -0.002 0.000 0.733 379 K HN 0.014 nan 8.250 nan 0.000 0.441 380 I N 2.295 122.850 120.570 -0.025 0.000 2.227 380 I HA -0.365 3.804 4.170 -0.000 0.000 0.250 380 I C 1.974 178.073 176.117 -0.030 0.000 1.087 380 I CA 1.729 63.012 61.300 -0.029 0.000 1.352 380 I CB -0.098 37.862 38.000 -0.066 0.000 1.043 380 I HN 0.180 nan 8.210 nan 0.000 0.425 381 K N -0.284 120.094 120.400 -0.037 0.000 2.062 381 K HA -0.060 4.259 4.320 -0.000 0.000 0.205 381 K C 1.313 177.898 176.600 -0.025 0.000 1.051 381 K CA 1.519 57.783 56.287 -0.039 0.000 0.941 381 K CB -0.023 32.451 32.500 -0.044 0.000 0.719 381 K HN 0.481 nan 8.250 nan 0.000 0.440 382 N N -0.435 118.255 118.700 -0.016 0.000 2.297 382 N HA -0.007 4.732 4.740 -0.000 0.000 0.208 382 N C 0.210 175.721 175.510 0.001 0.000 1.176 382 N CA 0.283 53.328 53.050 -0.008 0.000 0.882 382 N CB 0.637 39.121 38.487 -0.006 0.000 1.134 382 N HN 0.039 nan 8.380 nan 0.000 0.489 383 D N 1.105 121.508 120.400 0.004 0.000 2.342 383 D HA 0.129 4.769 4.640 -0.000 0.000 0.221 383 D C 0.303 176.608 176.300 0.010 0.000 1.101 383 D CA -0.093 53.916 54.000 0.016 0.000 0.837 383 D CB 0.992 41.806 40.800 0.022 0.000 0.938 383 D HN 0.256 nan 8.370 nan 0.000 0.508 384 I N 1.955 122.521 120.570 -0.006 0.000 2.347 384 I HA -0.005 4.165 4.170 -0.000 0.000 0.294 384 I C 0.239 176.331 176.117 -0.042 0.000 1.090 384 I CA -0.240 61.043 61.300 -0.029 0.000 1.314 384 I CB 0.089 38.080 38.000 -0.014 0.000 1.423 384 I HN -0.219 nan 8.210 nan 0.000 0.503 385 Q N 7.622 127.376 119.800 -0.076 0.000 2.316 385 Q HA 0.264 4.604 4.340 -0.000 0.000 0.215 385 Q C -1.723 174.213 176.000 -0.106 0.000 1.020 385 Q CA -1.485 54.292 55.803 -0.043 0.000 0.970 385 Q CB 0.573 29.362 28.738 0.085 0.000 1.187 385 Q HN 0.478 nan 8.270 nan 0.000 0.546 386 P HA -0.169 nan 4.420 nan 0.000 0.216 386 P C 0.920 178.226 177.300 0.009 0.000 1.153 386 P CA 1.136 64.238 63.100 0.002 0.000 0.844 386 P CB -0.176 31.558 31.700 0.056 0.000 0.787 387 W N 0.732 122.027 121.300 -0.007 0.000 2.436 387 W HA -0.150 4.509 4.660 -0.000 0.000 0.261 387 W C 0.861 177.361 176.519 -0.031 0.000 1.222 387 W CA 0.837 58.170 57.345 -0.019 0.000 1.191 387 W CB -1.370 28.086 29.460 -0.007 0.000 1.132 387 W HN 0.162 nan 8.180 nan 0.000 0.596 388 Q N 0.737 120.227 119.800 -0.517 0.000 2.226 388 Q HA -0.113 4.226 4.340 -0.000 0.000 0.199 388 Q C 2.240 178.066 176.000 -0.290 0.000 0.945 388 Q CA 1.225 56.700 55.803 -0.547 0.000 0.861 388 Q CB -0.468 27.891 28.738 -0.633 0.000 0.953 388 Q HN 0.369 nan 8.270 nan 0.000 0.490 389 E N 1.748 121.832 120.200 -0.193 0.000 2.160 389 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 389 E C 1.999 178.504 176.600 -0.158 0.000 0.991 389 E CA 1.377 57.694 56.400 -0.138 0.000 0.810 389 E CB 0.125 29.774 29.700 -0.086 0.000 0.742 389 E HN 0.298 nan 8.360 nan 0.000 0.466 390 R N -0.250 120.165 120.500 -0.142 0.000 2.127 390 R HA 0.009 4.349 4.340 -0.000 0.000 0.217 390 R C 2.337 178.506 176.300 -0.219 0.000 1.074 390 R CA 0.936 56.958 56.100 -0.130 0.000 0.991 390 R CB -0.324 29.941 30.300 -0.058 0.000 0.895 390 R HN -0.041 nan 8.270 nan 0.000 0.450 391 R N 1.213 121.533 120.500 -0.299 0.000 2.093 391 R HA 0.097 4.437 4.340 -0.000 0.000 0.224 391 R C 2.277 178.050 176.300 -0.878 0.000 1.101 391 R CA 1.400 57.176 56.100 -0.541 0.000 0.979 391 R CB -0.349 29.677 30.300 -0.457 0.000 0.877 391 R HN 0.334 nan 8.270 nan 0.000 0.441 392 A N 0.298 122.667 122.820 -0.751 0.000 1.933 392 A HA -0.082 4.237 4.320 -0.000 0.000 0.218 392 A C 2.270 179.560 177.584 -0.489 0.000 1.175 392 A CA 1.711 53.243 52.037 -0.841 0.000 0.628 392 A CB -0.801 17.890 19.000 -0.515 0.000 0.814 392 A HN 0.485 nan 8.150 nan 0.000 0.444 393 A N -0.542 122.094 122.820 -0.306 0.000 1.970 393 A HA 0.017 4.337 4.320 -0.000 0.000 0.216 393 A C 1.910 179.433 177.584 -0.103 0.000 1.170 393 A CA 1.754 53.700 52.037 -0.152 0.000 0.645 393 A CB -0.332 18.607 19.000 -0.101 0.000 0.816 393 A HN 0.554 nan 8.150 nan 0.000 0.447 394 E N -0.344 119.758 120.200 -0.163 0.000 2.051 394 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 394 E C 1.626 178.283 176.600 0.095 0.000 0.991 394 E CA 1.678 58.047 56.400 -0.052 0.000 0.799 394 E CB -0.535 29.067 29.700 -0.164 0.000 0.748 394 E HN 0.758 nan 8.360 nan 0.000 0.449 395 Y N -0.368 119.756 120.300 -0.294 0.000 2.439 395 Y HA -0.121 4.429 4.550 -0.000 0.000 0.292 395 Y C 2.432 178.191 175.900 -0.235 0.000 1.130 395 Y CA 0.492 58.400 58.100 -0.319 0.000 1.254 395 Y CB -0.147 38.014 38.460 -0.499 0.000 1.000 395 Y HN 0.218 nan 8.280 nan 0.000 0.554 396 M N 0.683 120.255 119.600 -0.047 0.000 2.077 396 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 396 M C 2.469 178.761 176.300 -0.014 0.000 1.070 396 M CA 2.330 57.608 55.300 -0.038 0.000 1.125 396 M CB -0.324 32.272 32.600 -0.006 0.000 1.339 396 M HN 0.250 nan 8.290 nan 0.000 0.409 397 T N -0.802 113.762 114.554 0.018 0.000 2.523 397 T HA -0.204 4.146 4.350 -0.000 0.000 0.253 397 T C 0.424 175.057 174.700 -0.112 0.000 1.139 397 T CA 1.345 63.425 62.100 -0.033 0.000 1.230 397 T CB -1.396 67.448 68.868 -0.040 0.000 0.871 397 T HN 0.557 nan 8.240 nan 0.000 0.396 398 H N 3.111 122.019 119.070 -0.270 0.000 3.444 398 H HA 0.545 5.101 4.556 -0.000 0.000 0.224 398 H C 0.253 175.428 175.328 -0.254 0.000 1.034 398 H CA 0.420 56.147 56.048 -0.535 0.000 1.416 398 H CB -1.044 28.304 29.762 -0.691 0.000 1.591 398 H HN 0.748 nan 8.280 nan 0.000 0.522 399 A N 4.447 127.281 122.820 0.024 0.000 2.380 399 A HA 0.516 4.836 4.320 -0.000 0.000 0.315 399 A C -2.296 175.376 177.584 0.146 0.000 1.101 399 A CA -2.146 49.905 52.037 0.024 0.000 0.771 399 A CB 1.156 20.143 19.000 -0.021 0.000 1.287 399 A HN 0.316 nan 8.150 nan 0.000 0.436 400 P HA 0.137 nan 4.420 nan 0.000 0.251 400 P C -1.108 176.241 177.300 0.081 0.000 1.624 400 P CA 0.601 63.717 63.100 0.027 0.000 0.907 400 P CB -0.341 31.268 31.700 -0.151 0.000 1.867 401 L N 1.112 122.380 121.223 0.074 0.000 2.406 401 L HA 0.704 5.044 4.340 -0.000 0.000 0.270 401 L C 0.621 177.503 176.870 0.020 0.000 0.982 401 L CA 0.010 54.874 54.840 0.040 0.000 0.843 401 L CB 1.540 43.625 42.059 0.042 0.000 1.225 401 L HN 0.167 nan 8.230 nan 0.000 0.412 402 G N 1.286 110.057 108.800 -0.047 0.000 2.623 402 G HA2 0.556 4.516 3.960 -0.000 0.000 0.290 402 G HA3 0.556 4.516 3.960 -0.000 0.000 0.290 402 G C -1.066 173.784 174.900 -0.083 0.000 1.437 402 G CA -0.345 44.727 45.100 -0.046 0.000 0.798 402 G HN 0.470 nan 8.290 nan 0.000 0.488 403 S N -0.375 115.307 115.700 -0.030 0.000 2.654 403 S HA 0.495 4.965 4.470 -0.000 0.000 0.283 403 S C 1.434 176.040 174.600 0.011 0.000 1.180 403 S CA -0.843 57.344 58.200 -0.023 0.000 1.021 403 S CB 1.581 64.787 63.200 0.010 0.000 1.018 403 S HN 0.522 nan 8.310 nan 0.000 0.532 404 L N 1.393 122.629 121.223 0.021 0.000 2.081 404 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 404 L C 2.897 179.864 176.870 0.163 0.000 1.080 404 L CA 1.611 56.521 54.840 0.117 0.000 0.754 404 L CB -0.854 41.259 42.059 0.091 0.000 0.893 404 L HN 0.886 nan 8.230 nan 0.000 0.433 405 N N 0.387 119.146 118.700 0.098 0.000 2.184 405 N HA -0.262 4.477 4.740 -0.000 0.000 0.190 405 N C 0.843 176.430 175.510 0.127 0.000 1.011 405 N CA 1.598 54.704 53.050 0.093 0.000 0.867 405 N CB 0.098 38.623 38.487 0.063 0.000 0.993 405 N HN 0.275 nan 8.380 nan 0.000 0.433 406 S N -1.899 113.894 115.700 0.156 0.000 3.305 406 S HA -0.131 4.338 4.470 -0.000 0.000 0.279 406 S C -0.352 174.334 174.600 0.143 0.000 1.292 406 S CA 0.594 58.916 58.200 0.203 0.000 0.914 406 S CB -1.980 61.358 63.200 0.230 0.000 1.125 406 S HN 0.398 nan 8.310 nan 0.000 0.668 407 V N 2.643 122.617 119.914 0.101 0.000 2.299 407 V HA 0.612 4.732 4.120 -0.000 0.000 0.255 407 V C 0.984 177.130 176.094 0.086 0.000 1.100 407 V CA 0.411 62.764 62.300 0.087 0.000 0.938 407 V CB 0.044 31.904 31.823 0.062 0.000 1.139 407 V HN 0.562 nan 8.190 nan 0.000 0.490 408 G N 4.739 113.614 108.800 0.125 0.000 2.254 408 G HA2 0.504 4.463 3.960 -0.000 0.000 0.253 408 G HA3 0.504 4.463 3.960 -0.000 0.000 0.253 408 G C 0.383 175.348 174.900 0.110 0.000 1.246 408 G CA 0.668 45.860 45.100 0.152 0.000 0.946 408 G HN 1.666 nan 8.290 nan 0.000 0.474 409 G N 0.174 109.022 108.800 0.080 0.000 2.356 409 G HA2 0.399 4.359 3.960 -0.000 0.000 0.288 409 G HA3 0.399 4.359 3.960 -0.000 0.000 0.288 409 G C -0.398 174.518 174.900 0.027 0.000 1.302 409 G CA -0.278 44.850 45.100 0.047 0.000 0.887 409 G HN 1.120 nan 8.290 nan 0.000 0.521 410 V N 0.900 120.823 119.914 0.015 0.000 3.367 410 V HA 0.329 4.449 4.120 -0.000 0.000 0.304 410 V C 2.418 178.514 176.094 0.004 0.000 1.131 410 V CA 1.125 63.429 62.300 0.006 0.000 1.233 410 V CB 0.414 32.236 31.823 -0.001 0.000 1.021 410 V HN 2.026 nan 8.190 nan 0.000 0.497 411 A N 1.925 124.743 122.820 -0.002 0.000 1.948 411 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 411 A C 1.548 179.131 177.584 -0.002 0.000 1.177 411 A CA 2.188 54.221 52.037 -0.006 0.000 0.636 411 A CB -0.752 18.241 19.000 -0.011 0.000 0.815 411 A HN 1.189 nan 8.150 nan 0.000 0.449 412 T N -1.617 112.936 114.554 -0.001 0.000 3.326 412 T HA 0.529 4.879 4.350 -0.000 0.000 0.274 412 T C -0.532 174.170 174.700 0.004 0.000 1.608 412 T CA -0.357 61.743 62.100 0.001 0.000 1.433 412 T CB 0.389 69.256 68.868 -0.002 0.000 1.034 412 T HN 0.289 nan 8.240 nan 0.000 0.694 413 E N 1.313 121.519 120.200 0.009 0.000 2.222 413 E HA 0.615 4.965 4.350 -0.000 0.000 0.267 413 E C -0.252 176.357 176.600 0.014 0.000 0.963 413 E CA -1.118 55.288 56.400 0.011 0.000 0.837 413 E CB 1.099 30.808 29.700 0.015 0.000 1.183 413 E HN 0.491 nan 8.360 nan 0.000 0.403 414 I N 2.597 123.175 120.570 0.014 0.000 2.882 414 I HA 0.067 4.236 4.170 -0.000 0.000 0.286 414 I C 0.155 176.285 176.117 0.022 0.000 1.139 414 I CA -0.394 60.915 61.300 0.016 0.000 1.379 414 I CB 0.460 38.468 38.000 0.013 0.000 1.410 414 I HN 0.487 nan 8.210 nan 0.000 0.594 415 N N 2.886 121.600 118.700 0.024 0.000 2.497 415 N HA 0.246 4.985 4.740 -0.000 0.000 0.268 415 N C -0.043 175.485 175.510 0.029 0.000 1.171 415 N CA 0.148 53.216 53.050 0.030 0.000 0.948 415 N CB 1.376 39.881 38.487 0.030 0.000 1.069 415 N HN 0.619 nan 8.380 nan 0.000 0.460 416 S N -0.014 115.707 115.700 0.035 0.000 7.218 416 S HA -0.016 4.454 4.470 -0.000 0.000 0.058 416 S C -1.143 173.481 174.600 0.040 0.000 1.508 416 S CA -0.351 57.868 58.200 0.031 0.000 0.976 416 S CB -0.817 62.396 63.200 0.022 0.000 1.104 416 S HN 0.342 nan 8.310 nan 0.000 0.545 417 V N 5.277 125.210 119.914 0.033 0.000 2.446 417 V HA 0.610 4.730 4.120 -0.000 0.000 0.276 417 V C -0.641 175.497 176.094 0.074 0.000 1.030 417 V CA 0.656 62.978 62.300 0.037 0.000 1.033 417 V CB -0.199 31.622 31.823 -0.003 0.000 0.993 417 V HN 0.723 nan 8.190 nan 0.000 0.477 418 N N 5.912 124.681 118.700 0.115 0.000 2.269 418 N HA 0.752 5.492 4.740 -0.000 0.000 0.304 418 N C -1.171 174.509 175.510 0.283 0.000 1.072 418 N CA -0.743 52.405 53.050 0.164 0.000 0.802 418 N CB 1.941 40.508 38.487 0.134 0.000 1.348 418 N HN 0.810 nan 8.380 nan 0.000 0.484 419 F N 1.235 121.245 119.950 0.099 0.000 2.655 419 F HA 0.437 4.963 4.527 -0.000 0.000 0.324 419 F C -2.439 173.468 175.800 0.178 0.000 1.081 419 F CA -0.731 57.358 58.000 0.148 0.000 1.088 419 F CB 0.631 39.691 39.000 0.101 0.000 1.327 419 F HN 0.357 nan 8.300 nan 0.000 0.522 420 V N 4.104 123.756 119.914 -0.436 0.000 2.444 420 V HA 0.533 4.653 4.120 -0.000 0.000 0.294 420 V C 0.285 176.068 176.094 -0.518 0.000 1.022 420 V CA -0.797 61.299 62.300 -0.341 0.000 0.850 420 V CB 1.169 33.102 31.823 0.184 0.000 0.992 420 V HN 0.948 nan 8.190 nan 0.000 0.426 421 S N 5.402 120.734 115.700 -0.614 0.000 2.552 421 S HA 0.134 4.604 4.470 -0.000 0.000 0.289 421 S C -1.196 173.462 174.600 0.096 0.000 1.304 421 S CA -0.381 57.657 58.200 -0.270 0.000 1.063 421 S CB 1.013 64.176 63.200 -0.061 0.000 0.848 421 S HN 0.640 nan 8.310 nan 0.000 0.499 422 P HA -0.100 nan 4.420 nan 0.000 0.216 422 P C 1.189 178.703 177.300 0.357 0.000 1.150 422 P CA 1.317 64.657 63.100 0.400 0.000 0.837 422 P CB 0.079 32.024 31.700 0.408 0.000 0.786 423 R N -0.771 119.876 120.500 0.245 0.000 2.096 423 R HA -0.074 4.265 4.340 -0.000 0.000 0.235 423 R C 2.385 178.869 176.300 0.308 0.000 1.127 423 R CA 1.534 57.767 56.100 0.223 0.000 0.968 423 R CB -1.021 29.337 30.300 0.097 0.000 0.861 423 R HN 0.189 nan 8.270 nan 0.000 0.440 424 S N 0.416 116.232 115.700 0.193 0.000 2.354 424 S HA -0.185 4.285 4.470 -0.000 0.000 0.219 424 S C 1.619 176.124 174.600 -0.158 0.000 1.035 424 S CA 1.612 59.779 58.200 -0.056 0.000 1.037 424 S CB -0.426 62.517 63.200 -0.428 0.000 0.956 424 S HN 0.409 nan 8.310 nan 0.000 0.428 425 W N 1.356 122.698 121.300 0.070 0.000 2.333 425 W HA -0.086 4.573 4.660 -0.000 0.000 0.316 425 W C 2.076 178.654 176.519 0.098 0.000 1.215 425 W CA 0.065 57.452 57.345 0.070 0.000 1.278 425 W CB -1.095 28.411 29.460 0.077 0.000 1.154 425 W HN 0.190 nan 8.180 nan 0.000 0.486 426 L N 0.901 122.323 121.223 0.331 0.000 1.944 426 L HA -0.251 4.088 4.340 -0.000 0.000 0.218 426 L C 2.652 179.559 176.870 0.063 0.000 1.075 426 L CA 2.575 57.510 54.840 0.158 0.000 0.767 426 L CB -1.878 40.242 42.059 0.102 0.000 0.890 426 L HN 0.073 nan 8.230 nan 0.000 0.434 427 A N -1.925 120.925 122.820 0.050 0.000 1.917 427 A HA -0.303 4.016 4.320 -0.000 0.000 0.219 427 A C 2.412 180.013 177.584 0.029 0.000 1.182 427 A CA 2.691 54.738 52.037 0.016 0.000 0.633 427 A CB -1.222 17.772 19.000 -0.010 0.000 0.819 427 A HN 0.509 nan 8.150 nan 0.000 0.448 428 T N -0.237 114.303 114.554 -0.024 0.000 2.545 428 T HA -0.194 4.155 4.350 -0.000 0.000 0.261 428 T C 2.248 177.018 174.700 0.116 0.000 1.097 428 T CA 3.261 65.349 62.100 -0.020 0.000 1.189 428 T CB -0.785 68.015 68.868 -0.114 0.000 0.863 428 T HN 0.881 nan 8.240 nan 0.000 0.405 429 S N 1.425 117.232 115.700 0.178 0.000 2.452 429 S HA -0.368 4.101 4.470 -0.000 0.000 0.253 429 S C 1.767 176.496 174.600 0.215 0.000 1.061 429 S CA 2.492 60.815 58.200 0.205 0.000 1.273 429 S CB -1.740 61.636 63.200 0.294 0.000 1.191 429 S HN 0.767 nan 8.310 nan 0.000 0.430 430 H N 0.865 119.993 119.070 0.097 0.000 2.450 430 H HA -0.121 4.434 4.556 -0.000 0.000 0.291 430 H C 1.690 177.152 175.328 0.223 0.000 1.128 430 H CA 1.751 57.856 56.048 0.095 0.000 1.203 430 H CB -0.811 29.004 29.762 0.089 0.000 1.356 430 H HN 0.616 nan 8.280 nan 0.000 0.503 431 F N -0.177 119.895 119.950 0.203 0.000 2.098 431 F HA -0.199 4.328 4.527 -0.001 0.000 0.294 431 F C 2.497 178.439 175.800 0.237 0.000 1.107 431 F CA 0.861 59.026 58.000 0.275 0.000 1.234 431 F CB -0.333 38.723 39.000 0.095 0.000 1.002 431 F HN 0.099 nan 8.300 nan 0.000 0.472 432 V N 2.025 121.980 119.914 0.069 0.000 2.392 432 V HA -0.286 3.834 4.120 -0.000 0.000 0.249 432 V C 2.039 178.167 176.094 0.055 0.000 1.059 432 V CA 1.899 64.110 62.300 -0.147 0.000 1.051 432 V CB -0.451 31.251 31.823 -0.201 0.000 0.658 432 V HN 0.402 nan 8.190 nan 0.000 0.455 433 L N 0.045 121.319 121.223 0.084 0.000 2.007 433 L HA -0.027 4.313 4.340 -0.000 0.000 0.205 433 L C 2.911 179.766 176.870 -0.024 0.000 1.073 433 L CA 1.734 56.592 54.840 0.029 0.000 0.744 433 L CB -1.324 40.589 42.059 -0.243 0.000 0.898 433 L HN 0.401 nan 8.230 nan 0.000 0.435 434 A N 0.132 122.887 122.820 -0.108 0.000 1.986 434 A HA -0.291 4.029 4.320 -0.000 0.000 0.220 434 A C 2.130 179.591 177.584 -0.205 0.000 1.171 434 A CA 1.870 53.729 52.037 -0.296 0.000 0.640 434 A CB -0.853 17.884 19.000 -0.439 0.000 0.811 434 A HN 0.435 nan 8.150 nan 0.000 0.451 435 F N -0.453 119.604 119.950 0.179 0.000 2.000 435 F HA -0.142 4.385 4.527 -0.000 0.000 0.295 435 F C 2.015 177.982 175.800 0.277 0.000 1.159 435 F CA 1.625 59.850 58.000 0.374 0.000 1.171 435 F CB -1.038 38.113 39.000 0.252 0.000 0.971 435 F HN 0.249 nan 8.300 nan 0.000 0.479 436 F N -0.226 119.653 119.950 -0.119 0.000 2.106 436 F HA -0.385 4.142 4.527 -0.000 0.000 0.299 436 F C 2.521 178.282 175.800 -0.064 0.000 1.082 436 F CA 1.577 59.477 58.000 -0.167 0.000 1.244 436 F CB -0.761 38.321 39.000 0.136 0.000 0.997 436 F HN 0.082 nan 8.300 nan 0.000 0.486 437 F N -0.678 119.262 119.950 -0.018 0.000 2.126 437 F HA -0.293 4.233 4.527 -0.001 0.000 0.299 437 F C 2.408 178.140 175.800 -0.113 0.000 1.096 437 F CA 0.354 58.306 58.000 -0.081 0.000 1.255 437 F CB -0.357 38.591 39.000 -0.087 0.000 0.997 437 F HN -0.036 nan 8.300 nan 0.000 0.479 438 L N 0.304 121.527 121.223 0.001 0.000 2.129 438 L HA -0.195 4.144 4.340 -0.000 0.000 0.212 438 L C 2.164 178.996 176.870 -0.063 0.000 1.087 438 L CA 1.503 56.314 54.840 -0.047 0.000 0.757 438 L CB -0.800 41.230 42.059 -0.048 0.000 0.896 438 L HN 0.001 nan 8.230 nan 0.000 0.434 439 V N 0.211 120.015 119.914 -0.184 0.000 2.407 439 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 439 V C 2.756 178.830 176.094 -0.032 0.000 1.055 439 V CA 1.565 63.791 62.300 -0.123 0.000 1.049 439 V CB -1.266 30.476 31.823 -0.136 0.000 0.662 439 V HN 0.605 nan 8.190 nan 0.000 0.455 440 G N -0.524 108.215 108.800 -0.102 0.000 2.434 440 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.214 440 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.214 440 G C 1.522 176.356 174.900 -0.110 0.000 1.202 440 G CA 0.972 45.934 45.100 -0.230 0.000 0.788 440 G HN 0.574 nan 8.290 nan 0.000 0.539 441 H N 1.058 120.048 119.070 -0.132 0.000 2.437 441 H HA -0.108 4.447 4.556 -0.000 0.000 0.296 441 H C 2.345 177.688 175.328 0.026 0.000 1.121 441 H CA 1.777 57.801 56.048 -0.040 0.000 1.255 441 H CB -0.227 29.537 29.762 0.002 0.000 1.366 441 H HN 0.331 nan 8.280 nan 0.000 0.512 442 L N -1.163 120.237 121.223 0.295 0.000 2.013 442 L HA -0.113 4.227 4.340 -0.000 0.000 0.204 442 L C 2.820 179.881 176.870 0.319 0.000 1.081 442 L CA 1.319 56.336 54.840 0.295 0.000 0.751 442 L CB -0.984 41.202 42.059 0.211 0.000 0.901 442 L HN 0.278 nan 8.230 nan 0.000 0.440 443 W N -0.043 121.265 121.300 0.015 0.000 2.387 443 W HA -0.236 4.424 4.660 -0.000 0.000 0.272 443 W C 2.202 178.819 176.519 0.164 0.000 1.224 443 W CA 0.691 58.067 57.345 0.053 0.000 1.210 443 W CB 0.133 29.606 29.460 0.022 0.000 1.125 443 W HN 0.352 nan 8.180 nan 0.000 0.572 444 H N -1.043 117.967 119.070 -0.100 0.000 2.562 444 H HA 0.164 4.720 4.556 -0.000 0.000 0.267 444 H C 2.044 177.207 175.328 -0.275 0.000 0.959 444 H CA 1.202 57.066 56.048 -0.307 0.000 1.204 444 H CB -0.372 29.216 29.762 -0.290 0.000 1.430 444 H HN 0.141 nan 8.280 nan 0.000 0.545 445 A N -0.184 122.607 122.820 -0.049 0.000 1.943 445 A HA 0.138 4.458 4.320 -0.000 0.000 0.213 445 A C 2.614 180.210 177.584 0.019 0.000 1.181 445 A CA 0.967 52.954 52.037 -0.082 0.000 0.653 445 A CB -0.740 18.210 19.000 -0.083 0.000 0.833 445 A HN 0.413 nan 8.150 nan 0.000 0.451 446 G N -0.091 108.802 108.800 0.155 0.000 2.440 446 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 446 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 446 G C 1.750 176.758 174.900 0.180 0.000 1.154 446 G CA 1.088 46.360 45.100 0.286 0.000 0.767 446 G HN 0.524 nan 8.290 nan 0.000 0.552 447 R N 0.416 120.832 120.500 -0.140 0.000 2.127 447 R HA 0.249 4.588 4.340 -0.000 0.000 0.217 447 R C 2.652 178.821 176.300 -0.218 0.000 1.074 447 R CA 1.158 57.069 56.100 -0.315 0.000 0.991 447 R CB -0.215 29.618 30.300 -0.779 0.000 0.895 447 R HN 0.275 nan 8.270 nan 0.000 0.450 448 A N 0.845 123.528 122.820 -0.228 0.000 1.935 448 A HA -0.053 4.266 4.320 -0.000 0.000 0.214 448 A C 2.076 179.568 177.584 -0.153 0.000 1.178 448 A CA 0.687 52.584 52.037 -0.233 0.000 0.640 448 A CB -0.263 18.550 19.000 -0.313 0.000 0.825 448 A HN 0.198 nan 8.150 nan 0.000 0.447 449 R N 0.500 120.957 120.500 -0.071 0.000 2.285 449 R HA 0.079 4.418 4.340 -0.000 0.000 0.213 449 R C 1.765 178.055 176.300 -0.017 0.000 1.068 449 R CA 1.360 57.456 56.100 -0.007 0.000 1.004 449 R CB -0.810 29.534 30.300 0.074 0.000 0.873 449 R HN 0.411 nan 8.270 nan 0.000 0.467 450 A N -0.163 122.635 122.820 -0.037 0.000 1.898 450 A HA 0.119 4.439 4.320 -0.000 0.000 0.214 450 A C 2.308 179.636 177.584 -0.427 0.000 1.183 450 A CA 1.130 53.078 52.037 -0.148 0.000 0.622 450 A CB -0.852 18.189 19.000 0.068 0.000 0.824 450 A HN 0.378 nan 8.150 nan 0.000 0.444 451 A N 0.319 122.982 122.820 -0.261 0.000 1.892 451 A HA 0.039 4.359 4.320 -0.000 0.000 0.218 451 A C 2.477 179.895 177.584 -0.277 0.000 1.188 451 A CA 2.440 54.330 52.037 -0.245 0.000 0.631 451 A CB -1.269 17.623 19.000 -0.180 0.000 0.822 451 A HN 1.350 nan 8.150 nan 0.000 0.447 452 A N -1.221 121.463 122.820 -0.227 0.000 2.082 452 A HA -0.044 4.276 4.320 -0.000 0.000 0.224 452 A C 2.060 179.516 177.584 -0.212 0.000 1.179 452 A CA 2.832 54.773 52.037 -0.161 0.000 0.670 452 A CB -0.635 18.315 19.000 -0.084 0.000 0.817 452 A HN 1.519 nan 8.150 nan 0.000 0.475 453 A N -4.520 118.034 122.820 -0.444 0.000 2.474 453 A HA 0.485 4.805 4.320 -0.000 0.000 0.221 453 A C 1.755 179.094 177.584 -0.409 0.000 1.298 453 A CA 1.010 52.804 52.037 -0.405 0.000 1.008 453 A CB -0.102 18.643 19.000 -0.424 0.000 1.217 453 A HN 2.063 nan 8.150 nan 0.000 0.553 454 G N -0.224 108.270 108.800 -0.511 0.000 2.175 454 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.244 454 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.244 454 G C 0.469 175.255 174.900 -0.190 0.000 0.982 454 G CA 0.508 45.437 45.100 -0.285 0.000 0.641 454 G HN 1.173 nan 8.290 nan 0.000 0.527 455 F N 1.610 121.560 119.950 -0.000 0.000 2.731 455 F HA 0.467 4.993 4.527 -0.000 0.000 0.304 455 F C 1.658 177.463 175.800 0.008 0.000 1.133 455 F CA 0.086 58.089 58.000 0.005 0.000 1.380 455 F CB -0.606 38.403 39.000 0.014 0.000 1.079 455 F HN 0.312 nan 8.300 nan 0.000 0.550 456 E N 1.140 121.392 120.200 0.086 0.000 2.150 456 E HA -0.152 4.197 4.350 -0.000 0.000 0.193 456 E C 1.651 178.294 176.600 0.072 0.000 0.985 456 E CA 1.201 57.658 56.400 0.095 0.000 0.814 456 E CB -0.453 29.216 29.700 -0.053 0.000 0.752 456 E HN 0.424 nan 8.360 nan 0.000 0.466 457 K N 0.205 120.623 120.400 0.030 0.000 2.155 457 K HA 0.131 4.450 4.320 -0.000 0.000 0.203 457 K C 0.933 177.563 176.600 0.050 0.000 1.052 457 K CA 0.904 57.195 56.287 0.007 0.000 0.948 457 K CB 0.226 32.710 32.500 -0.027 0.000 0.728 457 K HN 0.263 nan 8.250 nan 0.000 0.448 458 G N 0.223 109.077 108.800 0.091 0.000 2.452 458 G HA2 0.233 4.193 3.960 -0.000 0.000 0.224 458 G HA3 0.233 4.193 3.960 -0.000 0.000 0.224 458 G C -1.703 173.263 174.900 0.111 0.000 1.208 458 G CA -0.946 44.208 45.100 0.090 0.000 0.946 458 G HN 0.004 nan 8.290 nan 0.000 0.481 459 I N 1.629 122.241 120.570 0.070 0.000 2.439 459 I HA 0.265 4.435 4.170 -0.000 0.000 0.285 459 I C -0.910 175.235 176.117 0.047 0.000 1.021 459 I CA -0.647 60.689 61.300 0.060 0.000 1.091 459 I CB 1.964 39.975 38.000 0.019 0.000 1.242 459 I HN 0.452 nan 8.210 nan 0.000 0.439 460 D N 6.748 127.181 120.400 0.055 0.000 2.426 460 D HA -0.026 4.613 4.640 -0.000 0.000 0.261 460 D C 1.259 177.575 176.300 0.026 0.000 1.245 460 D CA 0.324 54.347 54.000 0.039 0.000 0.917 460 D CB 0.936 41.761 40.800 0.042 0.000 1.123 460 D HN 0.491 nan 8.370 nan 0.000 0.508 461 R N 2.439 122.951 120.500 0.020 0.000 2.332 461 R HA -0.181 4.159 4.340 -0.000 0.000 0.239 461 R C 1.298 177.605 176.300 0.013 0.000 1.160 461 R CA 1.278 57.387 56.100 0.014 0.000 1.020 461 R CB 0.167 30.474 30.300 0.012 0.000 0.859 461 R HN 0.680 nan 8.270 nan 0.000 0.478 462 E N -1.969 118.240 120.200 0.015 0.000 2.641 462 E HA 0.043 4.392 4.350 -0.000 0.000 0.224 462 E C 0.093 176.703 176.600 0.016 0.000 0.951 462 E CA -0.032 56.376 56.400 0.013 0.000 1.102 462 E CB 0.723 30.430 29.700 0.012 0.000 1.091 462 E HN -0.068 nan 8.360 nan 0.000 0.507 463 S N 1.527 117.239 115.700 0.020 0.000 2.569 463 S HA 0.075 4.545 4.470 -0.000 0.000 0.215 463 S C -0.921 173.697 174.600 0.030 0.000 1.096 463 S CA -0.663 57.552 58.200 0.025 0.000 1.183 463 S CB 0.010 63.227 63.200 0.028 0.000 1.324 463 S HN 0.358 nan 8.310 nan 0.000 0.421 464 E N 0.924 121.136 120.200 0.021 0.000 2.200 464 E HA 0.400 4.750 4.350 -0.000 0.000 0.283 464 E C -2.171 174.434 176.600 0.009 0.000 1.015 464 E CA -1.904 54.505 56.400 0.015 0.000 0.819 464 E CB 0.982 30.684 29.700 0.004 0.000 1.081 464 E HN 0.085 nan 8.360 nan 0.000 0.397 465 P HA -0.251 nan 4.420 nan 0.000 0.217 465 P C 1.246 178.544 177.300 -0.005 0.000 1.151 465 P CA 0.982 64.085 63.100 0.005 0.000 0.849 465 P CB 0.167 31.866 31.700 -0.001 0.000 0.787 466 V N -1.023 118.882 119.914 -0.015 0.000 2.379 466 V HA -0.137 3.983 4.120 -0.000 0.000 0.245 466 V C 2.220 178.309 176.094 -0.008 0.000 1.044 466 V CA 1.147 63.438 62.300 -0.016 0.000 1.036 466 V CB -1.094 30.713 31.823 -0.026 0.000 0.664 466 V HN 0.091 nan 8.190 nan 0.000 0.453 467 L N 0.076 121.296 121.223 -0.006 0.000 2.700 467 L HA 0.058 4.398 4.340 -0.000 0.000 0.240 467 L C 0.341 177.211 176.870 0.001 0.000 1.162 467 L CA 0.551 55.390 54.840 -0.002 0.000 0.874 467 L CB 0.024 42.083 42.059 -0.001 0.000 1.001 467 L HN 0.273 nan 8.230 nan 0.000 0.447 468 S N 0.331 116.032 115.700 0.002 0.000 2.440 468 S HA 0.490 4.960 4.470 -0.000 0.000 0.142 468 S C -0.521 174.082 174.600 0.004 0.000 1.578 468 S CA -0.416 57.787 58.200 0.004 0.000 1.260 468 S CB 0.669 63.874 63.200 0.008 0.000 1.407 468 S HN 0.143 nan 8.310 nan 0.000 0.392 469 M N 2.624 122.226 119.600 0.002 0.000 2.534 469 M HA 0.364 4.844 4.480 -0.000 0.000 0.280 469 M C -2.640 173.660 176.300 0.001 0.000 1.217 469 M CA -1.518 53.783 55.300 0.002 0.000 0.893 469 M CB 2.300 34.899 32.600 -0.001 0.000 1.730 469 M HN 0.084 nan 8.290 nan 0.000 0.483 470 P HA 0.074 nan 4.420 nan 0.000 0.264 470 P C -0.384 176.916 177.300 0.000 0.000 1.236 470 P CA 0.057 63.158 63.100 0.002 0.000 0.811 470 P CB -0.088 31.614 31.700 0.003 0.000 0.840 471 S N 3.688 119.388 115.700 -0.001 0.000 2.737 471 S HA -0.075 4.394 4.470 -0.000 0.000 0.315 471 S C 1.567 176.166 174.600 -0.002 0.000 1.236 471 S CA -0.561 57.638 58.200 -0.002 0.000 1.093 471 S CB -0.200 62.998 63.200 -0.002 0.000 0.832 471 S HN 0.276 nan 8.310 nan 0.000 0.507 472 L N 1.388 122.609 121.223 -0.003 0.000 2.151 472 L HA -0.034 4.306 4.340 -0.000 0.000 0.219 472 L C 0.984 177.853 176.870 -0.002 0.000 1.083 472 L CA 1.540 56.379 54.840 -0.002 0.000 0.782 472 L CB -1.782 40.275 42.059 -0.004 0.000 0.891 472 L HN 0.834 nan 8.230 nan 0.000 0.439 473 D N 0.000 120.399 120.400 -0.002 0.000 6.856 473 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 473 D CA 0.000 53.999 54.000 -0.001 0.000 0.868 473 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 473 D HN 0.000 nan 8.370 nan 0.000 0.683