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 3pdi_1_H DATA FIRST_RESID 4 DATA SEQUENCE IINRNKALAV SPLKASQTMG AALAILGLAR SMPLFHGSQG CTAFAKVFFV DATA SEQUENCE RHFREPVPLQ TTAMDQVSSV MGADENVVEA LKTICERQNP SVIGLLTTGL DATA SEQUENCE SETQGCDLHT ALHEFRTQYE EYKDVPIVPV NTPDFSGCFE SGFAAAVKAI DATA SEQUENCE VETLVPERRD QVGKRPRQVN VLCSANLTPG DLEYIAESIE SFGLRPLLIP DATA SEQUENCE DLSGSLDGHL DENRFNALTT GGLSVAELAT AGQSVATLVV GQSLAGAADA DATA SEQUENCE LAERTGVPDR RFGMLYGLDA VDAWLMALAE ISGNPVPDRY KRQRAQLQDA DATA SEQUENCE MLDTHFMLSS ARTAIAADPD LLLGFDALLR SMGAHTVAAV VPARAAALVD DATA SEQUENCE SPLPSVRVGD LEDLEHAARA GQAQLVIGNS HALASARRLG VPLLRAGFPQ DATA SEQUENCE YDLLGGFQRC WSGYRGSSQV LFDLANLLVE HH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.122 176.117 0.009 0.000 1.063 4 I CA 0.000 61.305 61.300 0.008 0.000 1.566 4 I CB 0.000 38.005 38.000 0.008 0.000 1.214 5 I N 1.839 122.414 120.570 0.010 0.000 2.312 5 I HA 0.841 5.011 4.170 -0.000 0.000 0.291 5 I C 0.311 176.434 176.117 0.011 0.000 1.031 5 I CA -0.197 61.110 61.300 0.011 0.000 1.293 5 I CB 0.138 38.145 38.000 0.012 0.000 1.403 5 I HN 2.199 nan 8.210 nan 0.000 0.484 6 N N 3.695 122.402 118.700 0.012 0.000 2.498 6 N HA 0.982 5.721 4.740 -0.000 0.000 0.287 6 N C 0.086 175.603 175.510 0.012 0.000 1.097 6 N CA 0.293 53.350 53.050 0.011 0.000 0.973 6 N CB 0.926 39.420 38.487 0.011 0.000 1.153 6 N HN 1.677 nan 8.380 nan 0.000 0.472 7 R N -1.654 118.853 120.500 0.011 0.000 2.885 7 R HA 0.929 5.269 4.340 -0.000 0.000 0.260 7 R C 0.607 176.914 176.300 0.010 0.000 1.107 7 R CA 0.582 56.689 56.100 0.012 0.000 0.978 7 R CB -0.195 30.112 30.300 0.012 0.000 1.227 7 R HN 1.546 nan 8.270 nan 0.000 0.473 8 N N -2.178 116.527 118.700 0.010 0.000 2.451 8 N HA 0.596 5.336 4.740 -0.000 0.000 0.308 8 N C 0.665 176.179 175.510 0.006 0.000 0.699 8 N CA 1.748 54.803 53.050 0.008 0.000 1.060 8 N CB -0.150 38.342 38.487 0.009 0.000 1.865 8 N HN 2.301 nan 8.380 nan 0.000 1.333 9 K N -2.451 117.953 120.400 0.006 0.000 10.560 9 K HA 0.634 4.954 4.320 -0.000 0.000 1.172 9 K C 0.347 176.950 176.600 0.005 0.000 2.467 9 K CA 0.798 57.088 56.287 0.004 0.000 0.772 9 K CB -1.634 30.866 32.500 0.001 0.000 1.387 9 K HN 2.128 nan 8.250 nan 0.000 0.434 10 A N -0.789 122.032 122.820 0.003 0.000 2.533 10 A HA 0.599 4.919 4.320 -0.000 0.000 0.180 10 A C 0.284 177.867 177.584 -0.001 0.000 1.566 10 A CA 1.170 53.207 52.037 0.000 0.000 1.153 10 A CB 0.278 19.277 19.000 -0.002 0.000 1.462 10 A HN 2.156 nan 8.150 nan 0.000 0.523 11 L N 0.355 121.578 121.223 0.000 0.000 2.346 11 L HA 0.877 5.217 4.340 -0.000 0.000 0.276 11 L C -0.331 176.538 176.870 -0.001 0.000 1.006 11 L CA -0.465 54.374 54.840 -0.002 0.000 0.817 11 L CB 1.757 43.815 42.059 -0.001 0.000 1.272 11 L HN 0.215 nan 8.230 nan 0.000 0.421 12 A N 5.126 127.942 122.820 -0.007 0.000 2.252 12 A HA 0.665 4.985 4.320 -0.000 0.000 0.309 12 A C -0.906 176.666 177.584 -0.019 0.000 1.285 12 A CA -0.471 51.559 52.037 -0.011 0.000 0.900 12 A CB 0.647 19.637 19.000 -0.017 0.000 1.157 12 A HN 0.534 nan 8.150 nan 0.000 0.536 13 V N 2.881 122.787 119.914 -0.014 0.000 2.347 13 V HA 0.338 4.458 4.120 -0.000 0.000 0.280 13 V C 0.202 176.273 176.094 -0.037 0.000 1.021 13 V CA -0.065 62.224 62.300 -0.019 0.000 0.847 13 V CB 0.630 32.455 31.823 0.003 0.000 0.990 13 V HN 1.189 nan 8.190 nan 0.000 0.444 14 S N 5.821 121.486 115.700 -0.060 0.000 3.341 14 S HA -0.103 4.366 4.470 -0.000 0.000 0.414 14 S C -1.933 172.607 174.600 -0.099 0.000 0.869 14 S CA -0.298 57.844 58.200 -0.096 0.000 1.349 14 S CB -1.206 61.950 63.200 -0.073 0.000 0.938 14 S HN 0.741 nan 8.310 nan 0.000 0.615 15 P HA 0.152 nan 4.420 nan 0.000 0.268 15 P C 0.920 178.179 177.300 -0.068 0.000 1.204 15 P CA -0.548 62.505 63.100 -0.077 0.000 0.768 15 P CB 0.744 32.397 31.700 -0.078 0.000 0.842 16 L N 3.072 124.280 121.223 -0.025 0.000 2.217 16 L HA 0.057 4.397 4.340 -0.000 0.000 0.211 16 L C 0.957 177.837 176.870 0.017 0.000 1.107 16 L CA 1.608 56.452 54.840 0.007 0.000 0.783 16 L CB -0.777 41.289 42.059 0.011 0.000 0.919 16 L HN 0.298 nan 8.230 nan 0.000 0.442 17 K N 0.237 120.637 120.400 0.000 0.000 2.174 17 K HA 0.565 4.885 4.320 -0.000 0.000 0.275 17 K C -0.641 175.948 176.600 -0.019 0.000 1.015 17 K CA 0.029 56.321 56.287 0.007 0.000 0.933 17 K CB 1.130 33.636 32.500 0.009 0.000 1.025 17 K HN 0.227 nan 8.250 nan 0.000 0.463 18 A N 1.618 124.429 122.820 -0.015 0.000 2.346 18 A HA 0.436 4.756 4.320 -0.000 0.000 0.313 18 A C -0.665 176.922 177.584 0.004 0.000 1.140 18 A CA -0.738 51.251 52.037 -0.079 0.000 0.826 18 A CB 1.023 19.875 19.000 -0.248 0.000 1.332 18 A HN 0.777 nan 8.150 nan 0.000 0.457 19 S N 0.057 115.725 115.700 -0.053 0.000 2.549 19 S HA 0.126 4.596 4.470 -0.000 0.000 0.283 19 S C 0.915 175.489 174.600 -0.044 0.000 1.320 19 S CA 0.447 58.610 58.200 -0.060 0.000 1.058 19 S CB 0.962 64.090 63.200 -0.120 0.000 0.882 19 S HN 0.868 nan 8.310 nan 0.000 0.498 20 Q N 2.201 121.955 119.800 -0.076 0.000 2.103 20 Q HA -0.266 4.074 4.340 -0.000 0.000 0.213 20 Q C 2.060 177.968 176.000 -0.153 0.000 1.008 20 Q CA 2.586 58.323 55.803 -0.110 0.000 0.879 20 Q CB -0.865 27.796 28.738 -0.127 0.000 0.946 20 Q HN 1.006 nan 8.270 nan 0.000 0.413 21 T N -1.313 113.116 114.554 -0.208 0.000 3.007 21 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 21 T C 1.621 176.255 174.700 -0.109 0.000 1.107 21 T CA 1.186 63.113 62.100 -0.288 0.000 1.118 21 T CB -0.092 68.417 68.868 -0.598 0.000 0.889 21 T HN 0.328 nan 8.240 nan 0.000 0.506 22 M N 0.254 119.859 119.600 0.008 0.000 2.160 22 M HA 0.176 4.656 4.480 -0.000 0.000 0.264 22 M C 2.796 179.139 176.300 0.071 0.000 1.073 22 M CA 1.496 56.928 55.300 0.219 0.000 1.142 22 M CB -0.743 31.898 32.600 0.068 0.000 1.358 22 M HN 0.463 nan 8.290 nan 0.000 0.422 23 G N 0.347 108.894 108.800 -0.423 0.000 2.446 23 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 23 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 23 G C 1.580 176.357 174.900 -0.206 0.000 1.168 23 G CA 1.030 45.540 45.100 -0.983 0.000 0.771 23 G HN 0.531 nan 8.290 nan 0.000 0.551 24 A N 0.824 123.578 122.820 -0.110 0.000 2.076 24 A HA 0.274 4.594 4.320 -0.000 0.000 0.220 24 A C 2.641 180.251 177.584 0.043 0.000 1.160 24 A CA 2.122 54.129 52.037 -0.050 0.000 0.653 24 A CB -0.443 18.514 19.000 -0.072 0.000 0.801 24 A HN 0.783 nan 8.150 nan 0.000 0.455 25 A N -0.307 122.600 122.820 0.146 0.000 2.072 25 A HA 0.230 4.550 4.320 -0.000 0.000 0.216 25 A C 1.825 179.472 177.584 0.105 0.000 1.156 25 A CA 1.216 53.382 52.037 0.215 0.000 0.701 25 A CB -0.318 18.937 19.000 0.425 0.000 0.816 25 A HN 0.925 nan 8.150 nan 0.000 0.458 26 L N -2.593 118.668 121.223 0.064 0.000 2.446 26 L HA 0.414 4.754 4.340 -0.000 0.000 0.219 26 L C 1.975 178.943 176.870 0.163 0.000 1.116 26 L CA 1.255 56.051 54.840 -0.072 0.000 0.844 26 L CB -1.731 40.097 42.059 -0.384 0.000 0.970 26 L HN 0.138 nan 8.230 nan 0.000 0.457 27 A N 1.722 124.727 122.820 0.307 0.000 1.858 27 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 27 A C 2.279 179.852 177.584 -0.017 0.000 1.190 27 A CA 2.315 54.391 52.037 0.064 0.000 0.617 27 A CB -0.935 17.732 19.000 -0.555 0.000 0.827 27 A HN 0.648 nan 8.150 nan 0.000 0.443 28 I N -1.289 119.264 120.570 -0.027 0.000 2.226 28 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 28 I C 1.909 178.014 176.117 -0.021 0.000 1.100 28 I CA 1.623 62.908 61.300 -0.025 0.000 1.374 28 I CB -0.459 37.533 38.000 -0.013 0.000 1.057 28 I HN 0.246 nan 8.210 nan 0.000 0.413 29 L N 1.037 122.244 121.223 -0.027 0.000 2.456 29 L HA -0.155 4.185 4.340 -0.000 0.000 0.225 29 L C 2.106 178.938 176.870 -0.063 0.000 1.142 29 L CA 1.183 55.982 54.840 -0.068 0.000 0.796 29 L CB -1.006 40.965 42.059 -0.147 0.000 0.920 29 L HN 0.655 nan 8.230 nan 0.000 0.446 30 G N -1.474 107.317 108.800 -0.015 0.000 3.277 30 G HA2 0.236 4.196 3.960 -0.000 0.000 0.243 30 G HA3 0.236 4.196 3.960 -0.000 0.000 0.243 30 G C 0.231 175.129 174.900 -0.003 0.000 1.107 30 G CA -0.348 44.754 45.100 0.003 0.000 0.771 30 G HN -0.042 nan 8.290 nan 0.000 0.544 31 L N 1.675 122.889 121.223 -0.016 0.000 2.371 31 L HA 0.650 4.990 4.340 -0.000 0.000 0.272 31 L C 0.875 177.731 176.870 -0.023 0.000 1.124 31 L CA -1.147 53.682 54.840 -0.018 0.000 0.816 31 L CB 1.070 43.117 42.059 -0.020 0.000 1.129 31 L HN 0.093 nan 8.230 nan 0.000 0.448 32 A N 3.339 126.146 122.820 -0.022 0.000 2.407 32 A HA 0.353 4.672 4.320 -0.000 0.000 0.248 32 A C 0.753 178.328 177.584 -0.014 0.000 1.082 32 A CA -0.292 51.730 52.037 -0.025 0.000 0.785 32 A CB -0.205 18.779 19.000 -0.027 0.000 1.020 32 A HN 0.758 nan 8.150 nan 0.000 0.489 33 R N -0.659 119.835 120.500 -0.010 0.000 3.225 33 R HA -0.172 4.168 4.340 -0.000 0.000 0.245 33 R C 0.195 176.494 176.300 -0.002 0.000 0.928 33 R CA 0.896 56.997 56.100 0.001 0.000 0.632 33 R CB -1.922 28.382 30.300 0.007 0.000 1.038 33 R HN 1.110 nan 8.270 nan 0.000 0.461 34 S N -0.364 115.331 115.700 -0.009 0.000 2.715 34 S HA 0.813 5.283 4.470 -0.000 0.000 0.307 34 S C -0.342 174.247 174.600 -0.018 0.000 1.119 34 S CA -0.996 57.196 58.200 -0.014 0.000 0.937 34 S CB 2.481 65.671 63.200 -0.018 0.000 1.150 34 S HN 0.290 nan 8.310 nan 0.000 0.521 35 M N 1.158 120.745 119.600 -0.022 0.000 2.215 35 M HA 0.531 5.011 4.480 -0.000 0.000 0.251 35 M C -3.217 173.067 176.300 -0.027 0.000 0.987 35 M CA -1.304 53.979 55.300 -0.029 0.000 1.025 35 M CB 1.880 34.459 32.600 -0.036 0.000 2.064 35 M HN 0.391 nan 8.290 nan 0.000 0.473 36 P HA 0.427 nan 4.420 nan 0.000 0.275 36 P C -1.568 175.726 177.300 -0.011 0.000 1.228 36 P CA -0.418 62.684 63.100 0.003 0.000 0.786 36 P CB 0.917 32.627 31.700 0.016 0.000 0.927 37 L N 3.952 125.210 121.223 0.058 0.000 2.406 37 L HA 0.487 4.827 4.340 -0.000 0.000 0.270 37 L C -1.371 175.649 176.870 0.250 0.000 0.982 37 L CA -0.575 54.309 54.840 0.074 0.000 0.843 37 L CB 0.310 42.376 42.059 0.012 0.000 1.225 37 L HN 0.070 nan 8.230 nan 0.000 0.412 38 F N 3.814 123.780 119.950 0.026 0.000 2.467 38 F HA 0.192 4.719 4.527 -0.000 0.000 0.362 38 F C 0.926 176.775 175.800 0.081 0.000 1.090 38 F CA -0.125 57.899 58.000 0.040 0.000 1.202 38 F CB 0.169 39.185 39.000 0.027 0.000 1.113 38 F HN 0.507 nan 8.300 nan 0.000 0.541 39 H N 3.181 122.313 119.070 0.103 0.000 2.908 39 H HA 0.508 5.064 4.556 -0.000 0.000 0.269 39 H C 0.176 175.518 175.328 0.022 0.000 1.303 39 H CA 0.005 56.078 56.048 0.040 0.000 1.341 39 H CB -0.200 29.564 29.762 0.004 0.000 1.519 39 H HN 0.809 nan 8.280 nan 0.000 0.505 40 G N 2.170 110.927 108.800 -0.073 0.000 2.428 40 G HA2 0.065 4.025 3.960 -0.000 0.000 0.304 40 G HA3 0.065 4.025 3.960 -0.000 0.000 0.304 40 G C -1.349 173.533 174.900 -0.029 0.000 1.303 40 G CA -0.663 44.370 45.100 -0.113 0.000 0.825 40 G HN 0.456 nan 8.290 nan 0.000 0.484 41 S N -1.121 114.570 115.700 -0.015 0.000 2.624 41 S HA 0.263 4.733 4.470 -0.000 0.000 0.263 41 S C 1.838 176.455 174.600 0.028 0.000 1.287 41 S CA 0.611 58.813 58.200 0.003 0.000 0.990 41 S CB 1.154 64.352 63.200 -0.004 0.000 0.950 41 S HN 0.737 nan 8.310 nan 0.000 0.561 42 Q N 1.489 121.290 119.800 0.002 0.000 2.172 42 Q HA 0.037 4.377 4.340 -0.000 0.000 0.200 42 Q C 1.885 177.856 176.000 -0.049 0.000 0.964 42 Q CA 1.433 57.229 55.803 -0.013 0.000 0.855 42 Q CB -0.845 27.873 28.738 -0.033 0.000 0.918 42 Q HN 0.783 nan 8.270 nan 0.000 0.444 43 G N 1.218 109.966 108.800 -0.086 0.000 2.469 43 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.219 43 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.219 43 G C 1.441 176.286 174.900 -0.091 0.000 1.150 43 G CA 1.008 45.975 45.100 -0.223 0.000 0.763 43 G HN 0.503 nan 8.290 nan 0.000 0.561 44 C N 0.940 120.304 119.300 0.106 0.000 2.403 44 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 44 C C 3.405 178.625 174.990 0.384 0.000 1.248 44 C CA 2.035 61.218 59.018 0.275 0.000 1.762 44 C CB -1.013 26.870 27.740 0.237 0.000 2.014 44 C HN 0.696 nan 8.230 nan 0.000 0.486 45 T N -1.228 113.457 114.554 0.219 0.000 2.976 45 T HA 0.120 4.470 4.350 -0.000 0.000 0.257 45 T C 1.902 176.587 174.700 -0.025 0.000 1.051 45 T CA 1.160 63.246 62.100 -0.023 0.000 1.141 45 T CB -0.423 68.347 68.868 -0.165 0.000 0.881 45 T HN 0.421 nan 8.240 nan 0.000 0.461 46 A N 0.183 122.970 122.820 -0.055 0.000 2.121 46 A HA 0.223 4.543 4.320 -0.000 0.000 0.218 46 A C 1.831 179.406 177.584 -0.015 0.000 1.154 46 A CA 0.698 52.681 52.037 -0.091 0.000 0.679 46 A CB -0.939 17.946 19.000 -0.192 0.000 0.795 46 A HN 0.458 nan 8.150 nan 0.000 0.458 47 F N -0.315 119.663 119.950 0.048 0.000 2.179 47 F HA 0.158 4.685 4.527 -0.000 0.000 0.292 47 F C 2.726 178.562 175.800 0.060 0.000 1.089 47 F CA 0.177 58.210 58.000 0.055 0.000 1.295 47 F CB -1.022 38.008 39.000 0.050 0.000 1.041 47 F HN 0.231 nan 8.300 nan 0.000 0.487 48 A N -0.294 122.680 122.820 0.256 0.000 1.978 48 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 48 A C 2.305 179.966 177.584 0.128 0.000 1.170 48 A CA 1.875 53.979 52.037 0.111 0.000 0.636 48 A CB -0.727 18.378 19.000 0.175 0.000 0.810 48 A HN 0.339 nan 8.150 nan 0.000 0.448 49 K N -0.458 120.027 120.400 0.141 0.000 2.007 49 K HA -0.050 4.270 4.320 -0.000 0.000 0.206 49 K C 1.899 178.628 176.600 0.214 0.000 1.047 49 K CA 1.395 57.784 56.287 0.171 0.000 0.937 49 K CB -0.301 32.244 32.500 0.075 0.000 0.718 49 K HN 0.202 nan 8.250 nan 0.000 0.438 50 V N 1.525 121.552 119.914 0.188 0.000 2.252 50 V HA -0.284 3.836 4.120 -0.000 0.000 0.249 50 V C 2.078 178.295 176.094 0.205 0.000 1.056 50 V CA 2.175 64.583 62.300 0.179 0.000 1.022 50 V CB -0.593 31.341 31.823 0.185 0.000 0.641 50 V HN 0.355 nan 8.190 nan 0.000 0.445 51 F N 0.252 120.224 119.950 0.038 0.000 2.043 51 F HA -0.292 4.235 4.527 -0.000 0.000 0.297 51 F C 2.079 177.918 175.800 0.065 0.000 1.118 51 F CA 2.255 60.235 58.000 -0.033 0.000 1.202 51 F CB -0.509 38.357 39.000 -0.223 0.000 0.965 51 F HN 0.138 nan 8.300 nan 0.000 0.482 52 F N 0.333 120.544 119.950 0.436 0.000 2.075 52 F HA -0.170 4.357 4.527 -0.000 0.000 0.297 52 F C 2.702 178.673 175.800 0.285 0.000 1.113 52 F CA 1.604 59.838 58.000 0.391 0.000 1.218 52 F CB -1.727 37.572 39.000 0.497 0.000 0.984 52 F HN 0.057 nan 8.300 nan 0.000 0.472 53 V N 0.490 120.644 119.914 0.401 0.000 2.324 53 V HA -0.297 3.823 4.120 -0.000 0.000 0.250 53 V C 2.414 178.609 176.094 0.167 0.000 1.060 53 V CA 2.119 64.570 62.300 0.252 0.000 1.042 53 V CB -0.619 31.300 31.823 0.160 0.000 0.650 53 V HN 0.349 nan 8.190 nan 0.000 0.450 54 R N -1.321 119.255 120.500 0.127 0.000 2.200 54 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 54 R C 2.252 178.586 176.300 0.057 0.000 1.127 54 R CA 1.852 57.999 56.100 0.078 0.000 0.989 54 R CB -0.402 29.926 30.300 0.046 0.000 0.869 54 R HN 0.858 nan 8.270 nan 0.000 0.459 55 H N -0.862 118.151 119.070 -0.096 0.000 2.276 55 H HA -0.039 4.517 4.556 -0.000 0.000 0.307 55 H C 1.324 176.469 175.328 -0.305 0.000 1.061 55 H CA 1.850 57.736 56.048 -0.271 0.000 1.336 55 H CB -0.126 29.358 29.762 -0.463 0.000 1.396 55 H HN 0.023 nan 8.280 nan 0.000 0.503 56 F N 0.385 120.342 119.950 0.012 0.000 2.502 56 F HA 0.134 4.661 4.527 -0.000 0.000 0.298 56 F C 0.879 176.369 175.800 -0.517 0.000 1.111 56 F CA 0.782 58.408 58.000 -0.623 0.000 1.445 56 F CB -0.142 38.603 39.000 -0.424 0.000 1.081 56 F HN 0.053 nan 8.300 nan 0.000 0.558 57 R N 0.747 121.243 120.500 -0.007 0.000 3.264 57 R HA -0.204 4.136 4.340 -0.000 0.000 0.251 57 R C -0.893 175.430 176.300 0.038 0.000 0.971 57 R CA 0.360 56.486 56.100 0.044 0.000 0.658 57 R CB -1.828 28.522 30.300 0.084 0.000 1.095 57 R HN 0.249 nan 8.270 nan 0.000 0.443 58 E N -0.699 119.534 120.200 0.055 0.000 2.412 58 E HA 0.404 4.754 4.350 -0.000 0.000 0.279 58 E C -2.568 174.062 176.600 0.051 0.000 0.984 58 E CA -1.824 54.603 56.400 0.045 0.000 0.788 58 E CB 1.561 31.274 29.700 0.022 0.000 1.277 58 E HN -0.105 nan 8.360 nan 0.000 0.455 59 P HA 0.258 nan 4.420 nan 0.000 0.274 59 P C -0.818 176.491 177.300 0.014 0.000 1.237 59 P CA -0.314 62.775 63.100 -0.018 0.000 0.793 59 P CB 0.718 32.342 31.700 -0.127 0.000 0.977 60 V N 2.777 122.714 119.914 0.038 0.000 2.668 60 V HA 0.309 4.429 4.120 -0.000 0.000 0.304 60 V C -2.252 173.855 176.094 0.022 0.000 1.071 60 V CA -1.660 60.667 62.300 0.045 0.000 0.894 60 V CB 1.876 33.783 31.823 0.139 0.000 1.008 60 V HN 0.597 nan 8.190 nan 0.000 0.425 61 P HA 0.505 nan 4.420 nan 0.000 0.276 61 P C -1.268 176.009 177.300 -0.039 0.000 1.235 61 P CA -0.224 62.861 63.100 -0.025 0.000 0.772 61 P CB 1.773 33.458 31.700 -0.025 0.000 0.871 62 L N 2.586 123.769 121.223 -0.066 0.000 2.705 62 L HA 0.333 4.673 4.340 -0.000 0.000 0.260 62 L C -1.027 175.765 176.870 -0.131 0.000 0.921 62 L CA -0.249 54.511 54.840 -0.133 0.000 0.948 62 L CB 1.872 43.829 42.059 -0.170 0.000 1.427 62 L HN 0.362 nan 8.230 nan 0.000 0.432 63 Q N 1.239 120.959 119.800 -0.133 0.000 2.633 63 Q HA 0.790 5.130 4.340 -0.000 0.000 0.292 63 Q C -1.130 174.835 176.000 -0.058 0.000 1.089 63 Q CA -0.656 55.096 55.803 -0.086 0.000 0.811 63 Q CB 2.447 31.148 28.738 -0.061 0.000 1.472 63 Q HN 0.659 nan 8.270 nan 0.000 0.464 64 T N 0.067 114.610 114.554 -0.018 0.000 2.841 64 T HA 0.232 4.582 4.350 -0.000 0.000 0.285 64 T C 0.873 175.601 174.700 0.046 0.000 0.991 64 T CA -0.412 61.707 62.100 0.032 0.000 0.966 64 T CB 1.355 70.233 68.868 0.016 0.000 0.962 64 T HN 0.415 nan 8.240 nan 0.000 0.438 65 T N 2.372 116.987 114.554 0.102 0.000 2.778 65 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 65 T C 1.621 176.365 174.700 0.074 0.000 1.050 65 T CA 1.647 63.822 62.100 0.126 0.000 1.137 65 T CB -0.455 68.606 68.868 0.321 0.000 0.860 65 T HN 1.165 nan 8.240 nan 0.000 0.468 66 A N 0.197 123.046 122.820 0.048 0.000 2.996 66 A HA -0.178 4.141 4.320 -0.000 0.000 0.257 66 A C 0.580 178.171 177.584 0.013 0.000 1.394 66 A CA 0.497 52.546 52.037 0.020 0.000 0.820 66 A CB -2.636 16.370 19.000 0.010 0.000 1.054 66 A HN 0.549 nan 8.150 nan 0.000 0.619 67 M N 0.530 120.133 119.600 0.004 0.000 2.226 67 M HA 0.002 4.482 4.480 -0.000 0.000 0.352 67 M C 0.700 176.995 176.300 -0.008 0.000 1.226 67 M CA 1.016 56.309 55.300 -0.012 0.000 0.943 67 M CB -0.041 32.519 32.600 -0.067 0.000 1.805 67 M HN 0.554 nan 8.290 nan 0.000 0.465 68 D N 1.571 121.970 120.400 -0.002 0.000 2.529 68 D HA 0.137 4.777 4.640 -0.000 0.000 0.273 68 D C 0.707 177.005 176.300 -0.003 0.000 1.197 68 D CA -0.200 53.800 54.000 -0.001 0.000 1.070 68 D CB 0.820 41.622 40.800 0.004 0.000 1.134 68 D HN 0.525 nan 8.370 nan 0.000 0.590 69 Q N -0.602 119.198 119.800 -0.001 0.000 2.364 69 Q HA -0.060 4.280 4.340 -0.000 0.000 0.209 69 Q C 1.518 177.518 176.000 0.001 0.000 0.977 69 Q CA 0.857 56.660 55.803 -0.000 0.000 0.885 69 Q CB -0.486 28.252 28.738 0.000 0.000 0.941 69 Q HN 0.313 nan 8.270 nan 0.000 0.464 70 V N -1.409 118.507 119.914 0.003 0.000 3.563 70 V HA 0.128 4.248 4.120 -0.000 0.000 0.299 70 V C 1.371 177.470 176.094 0.008 0.000 1.290 70 V CA 0.523 62.826 62.300 0.006 0.000 1.201 70 V CB -0.712 31.116 31.823 0.008 0.000 1.045 70 V HN 0.336 nan 8.190 nan 0.000 0.425 71 S N 0.552 116.254 115.700 0.003 0.000 2.660 71 S HA -0.041 4.429 4.470 -0.000 0.000 0.223 71 S C 1.730 176.332 174.600 0.004 0.000 0.963 71 S CA 0.662 58.862 58.200 0.001 0.000 0.932 71 S CB -0.482 62.707 63.200 -0.018 0.000 0.775 71 S HN 0.940 nan 8.310 nan 0.000 0.531 72 S N 0.486 116.190 115.700 0.005 0.000 2.456 72 S HA 0.148 4.618 4.470 -0.000 0.000 0.224 72 S C 1.291 175.897 174.600 0.010 0.000 1.035 72 S CA 0.348 58.552 58.200 0.007 0.000 0.940 72 S CB -0.555 62.647 63.200 0.004 0.000 0.799 72 S HN 0.340 nan 8.310 nan 0.000 0.508 73 V N 1.567 121.488 119.914 0.012 0.000 2.865 73 V HA 0.242 4.362 4.120 -0.000 0.000 0.163 73 V C 1.361 177.467 176.094 0.020 0.000 1.150 73 V CA -0.121 62.188 62.300 0.014 0.000 1.413 73 V CB -0.494 31.336 31.823 0.012 0.000 1.014 73 V HN 0.390 nan 8.190 nan 0.000 0.453 74 M N 2.037 121.650 119.600 0.021 0.000 2.685 74 M HA 0.068 4.548 4.480 -0.000 0.000 0.344 74 M C 1.525 177.849 176.300 0.040 0.000 1.754 74 M CA 0.553 55.870 55.300 0.028 0.000 1.263 74 M CB -0.784 31.831 32.600 0.026 0.000 2.042 74 M HN 0.741 nan 8.290 nan 0.000 0.459 75 G N 4.423 113.250 108.800 0.045 0.000 2.917 75 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.249 75 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.249 75 G C 0.804 175.764 174.900 0.099 0.000 1.101 75 G CA 1.889 47.028 45.100 0.066 0.000 0.732 75 G HN 1.187 nan 8.290 nan 0.000 0.650 76 A N -2.733 120.154 122.820 0.111 0.000 2.454 76 A HA 0.114 4.434 4.320 -0.000 0.000 0.219 76 A C 1.070 178.718 177.584 0.106 0.000 2.875 76 A CA 1.196 53.329 52.037 0.160 0.000 1.571 76 A CB -1.154 18.065 19.000 0.365 0.000 0.160 76 A HN 0.263 nan 8.150 nan 0.000 0.550 77 D N 0.980 121.414 120.400 0.057 0.000 2.984 77 D HA -0.298 4.342 4.640 -0.000 0.000 0.266 77 D C 1.716 178.026 176.300 0.017 0.000 1.083 77 D CA 2.071 56.082 54.000 0.018 0.000 0.985 77 D CB -0.063 40.750 40.800 0.021 0.000 1.137 77 D HN 0.618 nan 8.370 nan 0.000 0.495 78 E N 0.646 120.863 120.200 0.028 0.000 2.086 78 E HA -0.228 4.122 4.350 -0.000 0.000 0.200 78 E C 1.832 178.443 176.600 0.018 0.000 1.012 78 E CA 1.787 58.202 56.400 0.025 0.000 0.812 78 E CB -0.433 29.282 29.700 0.026 0.000 0.743 78 E HN 0.467 nan 8.360 nan 0.000 0.453 79 N N -0.143 118.579 118.700 0.035 0.000 2.058 79 N HA -0.154 4.586 4.740 -0.000 0.000 0.191 79 N C 2.114 177.626 175.510 0.004 0.000 1.037 79 N CA 1.941 55.015 53.050 0.040 0.000 0.848 79 N CB -0.260 38.283 38.487 0.093 0.000 1.021 79 N HN -0.019 nan 8.380 nan 0.000 0.422 80 V N 0.761 120.657 119.914 -0.030 0.000 2.287 80 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 80 V C 2.288 178.282 176.094 -0.167 0.000 1.053 80 V CA 1.419 63.626 62.300 -0.156 0.000 1.027 80 V CB -0.751 30.884 31.823 -0.312 0.000 0.646 80 V HN 0.164 nan 8.190 nan 0.000 0.447 81 V N -0.046 119.807 119.914 -0.102 0.000 2.255 81 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 81 V C 2.510 178.533 176.094 -0.118 0.000 1.051 81 V CA 2.515 64.768 62.300 -0.077 0.000 1.018 81 V CB -0.596 31.260 31.823 0.056 0.000 0.641 81 V HN 0.665 nan 8.190 nan 0.000 0.445 82 E N -0.388 119.776 120.200 -0.059 0.000 2.265 82 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 82 E C 2.103 178.639 176.600 -0.107 0.000 0.996 82 E CA 0.999 57.367 56.400 -0.054 0.000 0.832 82 E CB -0.134 29.555 29.700 -0.019 0.000 0.756 82 E HN 0.609 nan 8.360 nan 0.000 0.491 83 A N 0.518 123.254 122.820 -0.141 0.000 1.897 83 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 83 A C 2.075 179.507 177.584 -0.255 0.000 1.181 83 A CA 0.725 52.672 52.037 -0.151 0.000 0.620 83 A CB -0.421 18.512 19.000 -0.111 0.000 0.821 83 A HN 0.269 nan 8.150 nan 0.000 0.443 84 L N -1.057 119.897 121.223 -0.448 0.000 2.056 84 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 84 L C 2.585 179.054 176.870 -0.670 0.000 1.078 84 L CA 1.695 56.080 54.840 -0.759 0.000 0.749 84 L CB -0.355 40.806 42.059 -1.497 0.000 0.901 84 L HN 0.258 nan 8.230 nan 0.000 0.433 85 K N -0.453 119.659 120.400 -0.479 0.000 2.057 85 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 85 K C 2.047 178.594 176.600 -0.088 0.000 1.050 85 K CA 1.644 57.882 56.287 -0.082 0.000 0.935 85 K CB -0.194 32.365 32.500 0.100 0.000 0.715 85 K HN 0.223 nan 8.250 nan 0.000 0.439 86 T N 0.969 115.456 114.554 -0.110 0.000 2.622 86 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 86 T C 1.825 176.475 174.700 -0.084 0.000 1.047 86 T CA 1.659 63.712 62.100 -0.078 0.000 1.159 86 T CB -0.300 68.525 68.868 -0.073 0.000 0.863 86 T HN 0.103 nan 8.240 nan 0.000 0.422 87 I N 0.714 121.217 120.570 -0.112 0.000 2.127 87 I HA -0.217 3.953 4.170 -0.000 0.000 0.241 87 I C 2.850 178.909 176.117 -0.096 0.000 1.075 87 I CA 0.952 62.193 61.300 -0.099 0.000 1.334 87 I CB -0.536 37.396 38.000 -0.114 0.000 1.040 87 I HN 0.333 nan 8.210 nan 0.000 0.405 88 C N 0.760 119.987 119.300 -0.121 0.000 2.385 88 C HA -0.184 4.276 4.460 -0.000 0.000 0.275 88 C C 2.703 177.612 174.990 -0.135 0.000 1.207 88 C CA 1.080 60.028 59.018 -0.118 0.000 1.760 88 C CB -1.024 26.666 27.740 -0.084 0.000 2.051 88 C HN 0.504 nan 8.230 nan 0.000 0.467 89 E N -0.177 119.959 120.200 -0.107 0.000 2.299 89 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 89 E C 2.108 178.674 176.600 -0.057 0.000 0.998 89 E CA 0.573 56.918 56.400 -0.093 0.000 0.851 89 E CB -0.314 29.352 29.700 -0.057 0.000 0.795 89 E HN 0.513 nan 8.360 nan 0.000 0.492 90 R N 1.018 121.487 120.500 -0.052 0.000 2.064 90 R HA 0.033 4.373 4.340 -0.000 0.000 0.221 90 R C 1.435 177.720 176.300 -0.025 0.000 1.136 90 R CA 1.431 57.512 56.100 -0.033 0.000 0.980 90 R CB 0.099 30.379 30.300 -0.033 0.000 0.876 90 R HN -0.015 nan 8.270 nan 0.000 0.437 91 Q N -0.749 119.032 119.800 -0.032 0.000 2.245 91 Q HA 0.276 4.615 4.340 -0.000 0.000 0.236 91 Q C -0.592 175.399 176.000 -0.015 0.000 0.842 91 Q CA 0.254 56.048 55.803 -0.016 0.000 0.945 91 Q CB 0.659 29.389 28.738 -0.013 0.000 1.122 91 Q HN 0.270 nan 8.270 nan 0.000 0.506 92 N N 0.985 119.662 118.700 -0.039 0.000 2.699 92 N HA -0.096 4.644 4.740 -0.000 0.000 0.257 92 N C -2.663 172.842 175.510 -0.009 0.000 1.077 92 N CA 0.226 53.253 53.050 -0.039 0.000 0.702 92 N CB -0.189 38.291 38.487 -0.012 0.000 0.886 92 N HN 0.143 nan 8.380 nan 0.000 0.549 93 P HA 0.042 nan 4.420 nan 0.000 0.269 93 P C 0.408 177.715 177.300 0.012 0.000 1.217 93 P CA -0.159 62.938 63.100 -0.005 0.000 0.783 93 P CB 0.755 32.444 31.700 -0.019 0.000 0.898 94 S N -0.347 115.362 115.700 0.014 0.000 2.461 94 S HA 0.106 4.576 4.470 -0.000 0.000 0.228 94 S C 0.690 175.299 174.600 0.015 0.000 1.005 94 S CA 0.296 58.508 58.200 0.020 0.000 0.942 94 S CB -0.047 63.161 63.200 0.014 0.000 0.776 94 S HN 0.355 nan 8.310 nan 0.000 0.514 95 V N 0.903 120.819 119.914 0.004 0.000 3.077 95 V HA 0.478 4.598 4.120 -0.000 0.000 0.299 95 V C -1.165 174.923 176.094 -0.010 0.000 1.276 95 V CA -0.838 61.462 62.300 0.000 0.000 0.993 95 V CB 2.146 33.966 31.823 -0.005 0.000 1.076 95 V HN 0.079 nan 8.190 nan 0.000 0.434 96 I N 1.565 122.127 120.570 -0.014 0.000 2.569 96 I HA 0.688 4.858 4.170 -0.000 0.000 0.296 96 I C 0.484 176.589 176.117 -0.020 0.000 1.028 96 I CA -0.598 60.685 61.300 -0.028 0.000 1.082 96 I CB 2.327 40.294 38.000 -0.055 0.000 1.264 96 I HN 0.798 nan 8.210 nan 0.000 0.429 97 G N 5.486 114.279 108.800 -0.012 0.000 2.319 97 G HA2 0.549 4.509 3.960 -0.000 0.000 0.308 97 G HA3 0.549 4.509 3.960 -0.000 0.000 0.308 97 G C -1.261 173.650 174.900 0.018 0.000 1.117 97 G CA -0.317 44.786 45.100 0.006 0.000 0.903 97 G HN 0.380 nan 8.290 nan 0.000 0.436 98 L N 3.570 124.798 121.223 0.009 0.000 2.277 98 L HA 0.640 4.980 4.340 -0.000 0.000 0.284 98 L C -0.781 176.106 176.870 0.029 0.000 1.028 98 L CA -0.504 54.342 54.840 0.009 0.000 0.835 98 L CB 0.922 42.965 42.059 -0.027 0.000 1.215 98 L HN 0.367 nan 8.230 nan 0.000 0.425 99 L N 3.891 125.157 121.223 0.072 0.000 2.356 99 L HA 0.520 4.860 4.340 -0.000 0.000 0.277 99 L C 0.264 177.138 176.870 0.006 0.000 0.996 99 L CA -0.407 54.451 54.840 0.031 0.000 0.822 99 L CB 2.017 44.114 42.059 0.064 0.000 1.256 99 L HN 0.418 nan 8.230 nan 0.000 0.413 100 T N 1.359 115.889 114.554 -0.040 0.000 2.856 100 T HA 0.466 4.816 4.350 -0.000 0.000 0.292 100 T C 0.304 174.894 174.700 -0.184 0.000 0.980 100 T CA -0.299 61.783 62.100 -0.031 0.000 1.091 100 T CB 0.592 69.456 68.868 -0.007 0.000 0.936 100 T HN 0.796 nan 8.240 nan 0.000 0.503 101 T N 1.671 116.108 114.554 -0.194 0.000 2.888 101 T HA 0.523 4.873 4.350 -0.000 0.000 0.283 101 T C 1.761 176.309 174.700 -0.253 0.000 1.013 101 T CA -0.124 61.810 62.100 -0.277 0.000 0.938 101 T CB 0.547 69.279 68.868 -0.227 0.000 1.298 101 T HN 0.520 nan 8.240 nan 0.000 0.580 102 G N -0.566 108.096 108.800 -0.230 0.000 2.408 102 G HA2 -0.054 3.905 3.960 -0.000 0.000 0.217 102 G HA3 -0.054 3.905 3.960 -0.000 0.000 0.217 102 G C 1.390 176.409 174.900 0.198 0.000 1.150 102 G CA 0.470 45.518 45.100 -0.086 0.000 0.776 102 G HN 0.645 nan 8.290 nan 0.000 0.542 103 L N 1.202 122.453 121.223 0.047 0.000 1.988 103 L HA -0.116 4.223 4.340 -0.000 0.000 0.207 103 L C 3.283 180.153 176.870 -0.000 0.000 1.071 103 L CA 2.239 57.096 54.840 0.028 0.000 0.744 103 L CB -0.469 41.569 42.059 -0.036 0.000 0.893 103 L HN 0.457 nan 8.230 nan 0.000 0.433 104 S N -1.215 114.428 115.700 -0.094 0.000 2.402 104 S HA -0.243 4.227 4.470 -0.000 0.000 0.229 104 S C 1.741 176.358 174.600 0.027 0.000 1.021 104 S CA 1.259 59.386 58.200 -0.122 0.000 0.974 104 S CB -0.321 62.635 63.200 -0.406 0.000 0.800 104 S HN 0.465 nan 8.310 nan 0.000 0.484 105 E N 1.297 121.530 120.200 0.055 0.000 2.338 105 E HA -0.023 4.327 4.350 -0.000 0.000 0.197 105 E C 1.702 178.419 176.600 0.195 0.000 1.007 105 E CA 1.170 57.641 56.400 0.119 0.000 0.849 105 E CB -0.886 28.858 29.700 0.073 0.000 0.774 105 E HN 0.571 nan 8.360 nan 0.000 0.506 106 T N 0.171 114.835 114.554 0.184 0.000 2.977 106 T HA -0.129 4.221 4.350 -0.000 0.000 0.271 106 T C 1.185 175.924 174.700 0.065 0.000 1.105 106 T CA 1.284 63.455 62.100 0.118 0.000 1.116 106 T CB -0.057 68.850 68.868 0.066 0.000 0.878 106 T HN 0.203 nan 8.240 nan 0.000 0.509 107 Q N -0.767 119.076 119.800 0.071 0.000 2.304 107 Q HA 0.372 4.712 4.340 -0.000 0.000 0.204 107 Q C 2.064 178.106 176.000 0.070 0.000 0.936 107 Q CA 0.984 56.822 55.803 0.059 0.000 0.878 107 Q CB 0.187 28.960 28.738 0.057 0.000 0.983 107 Q HN 0.485 nan 8.270 nan 0.000 0.516 108 G N -0.250 108.604 108.800 0.089 0.000 2.796 108 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.198 108 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.198 108 G C 0.719 175.685 174.900 0.110 0.000 1.062 108 G CA -0.099 45.057 45.100 0.094 0.000 0.752 108 G HN 0.880 nan 8.290 nan 0.000 0.487 109 C N 1.008 120.373 119.300 0.108 0.000 4.456 109 C HA -0.065 4.395 4.460 -0.000 0.000 0.288 109 C C 0.917 175.971 174.990 0.106 0.000 1.374 109 C CA 0.486 59.586 59.018 0.136 0.000 1.956 109 C CB -2.589 25.265 27.740 0.190 0.000 1.255 109 C HN 2.648 nan 8.230 nan 0.000 0.788 110 D N -1.352 119.097 120.400 0.081 0.000 2.730 110 D HA -0.289 4.351 4.640 -0.000 0.000 0.227 110 D C 0.516 176.763 176.300 -0.088 0.000 1.196 110 D CA 1.128 55.114 54.000 -0.023 0.000 0.620 110 D CB -0.964 39.799 40.800 -0.062 0.000 1.012 110 D HN 0.862 nan 8.370 nan 0.000 0.411 111 L N 1.345 122.611 121.223 0.071 0.000 1.924 111 L HA -0.233 4.107 4.340 -0.000 0.000 0.222 111 L C 2.755 179.637 176.870 0.020 0.000 1.081 111 L CA 2.845 57.718 54.840 0.055 0.000 0.780 111 L CB -1.438 40.696 42.059 0.124 0.000 0.891 111 L HN 0.614 nan 8.230 nan 0.000 0.434 112 H N -3.078 116.003 119.070 0.019 0.000 2.375 112 H HA -0.223 4.333 4.556 -0.000 0.000 0.289 112 H C 1.825 177.199 175.328 0.077 0.000 1.121 112 H CA 2.018 58.087 56.048 0.034 0.000 1.207 112 H CB -1.394 28.379 29.762 0.018 0.000 1.355 112 H HN 0.382 nan 8.280 nan 0.000 0.486 113 T N 0.507 114.649 114.554 -0.686 0.000 2.668 113 T HA -0.081 4.269 4.350 -0.000 0.000 0.262 113 T C 2.483 177.132 174.700 -0.085 0.000 1.045 113 T CA 1.580 63.468 62.100 -0.354 0.000 1.152 113 T CB -0.747 67.871 68.868 -0.417 0.000 0.864 113 T HN 0.646 nan 8.240 nan 0.000 0.419 114 A N 0.908 123.666 122.820 -0.104 0.000 2.042 114 A HA -0.055 4.265 4.320 -0.000 0.000 0.222 114 A C 2.217 179.819 177.584 0.030 0.000 1.167 114 A CA 1.232 53.241 52.037 -0.046 0.000 0.649 114 A CB -0.805 18.125 19.000 -0.117 0.000 0.809 114 A HN 0.512 nan 8.150 nan 0.000 0.457 115 L N -2.219 119.034 121.223 0.051 0.000 2.375 115 L HA -0.020 4.320 4.340 -0.000 0.000 0.215 115 L C 2.228 179.248 176.870 0.250 0.000 1.108 115 L CA 1.253 56.178 54.840 0.140 0.000 0.830 115 L CB -0.204 41.919 42.059 0.106 0.000 0.959 115 L HN 0.637 nan 8.230 nan 0.000 0.457 116 H N -0.418 118.706 119.070 0.090 0.000 2.563 116 H HA 0.037 4.593 4.556 -0.000 0.000 0.264 116 H C 1.871 177.283 175.328 0.140 0.000 0.957 116 H CA 0.626 56.738 56.048 0.107 0.000 1.173 116 H CB 0.461 30.251 29.762 0.047 0.000 1.420 116 H HN 0.271 nan 8.280 nan 0.000 0.551 117 E N -0.762 119.497 120.200 0.100 0.000 2.230 117 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 117 E C 0.328 177.112 176.600 0.307 0.000 0.987 117 E CA 0.325 56.774 56.400 0.083 0.000 0.841 117 E CB 0.133 29.865 29.700 0.053 0.000 0.783 117 E HN 0.402 nan 8.360 nan 0.000 0.481 118 F N 0.804 120.845 119.950 0.151 0.000 2.730 118 F HA 0.203 4.730 4.527 -0.000 0.000 0.295 118 F C 0.625 176.462 175.800 0.062 0.000 1.143 118 F CA -0.160 57.757 58.000 -0.139 0.000 1.367 118 F CB 0.287 39.083 39.000 -0.340 0.000 0.970 118 F HN -0.296 nan 8.300 nan 0.000 0.514 119 R N -0.469 120.429 120.500 0.663 0.000 2.659 119 R HA 0.308 4.648 4.340 -0.000 0.000 0.418 119 R C 0.626 176.816 176.300 -0.183 0.000 1.076 119 R CA 0.219 56.769 56.100 0.750 0.000 1.093 119 R CB -0.263 30.301 30.300 0.441 0.000 1.400 119 R HN 0.173 nan 8.270 nan 0.000 0.583 120 T N -1.329 112.636 114.554 -0.982 0.000 3.393 120 T HA 0.077 4.427 4.350 -0.000 0.000 0.231 120 T C 1.081 174.865 174.700 -1.528 0.000 0.983 120 T CA -0.087 61.383 62.100 -1.051 0.000 1.272 120 T CB 0.050 68.603 68.868 -0.525 0.000 1.214 120 T HN -0.043 nan 8.240 nan 0.000 0.368 121 Q N 1.023 120.215 119.800 -1.014 0.000 1.703 121 Q HA -0.146 4.194 4.340 -0.000 0.000 0.380 121 Q C -0.045 175.910 176.000 -0.075 0.000 1.022 121 Q CA 2.003 57.655 55.803 -0.252 0.000 0.888 121 Q CB -0.621 28.243 28.738 0.210 0.000 0.960 121 Q HN 0.578 nan 8.270 nan 0.000 0.404 122 Y N -1.524 118.657 120.300 -0.198 0.000 3.689 122 Y HA -0.244 4.306 4.550 -0.000 0.000 0.221 122 Y C 0.743 176.571 175.900 -0.121 0.000 1.247 122 Y CA 0.582 58.524 58.100 -0.265 0.000 1.671 122 Y CB -2.947 35.271 38.460 -0.404 0.000 1.521 122 Y HN 0.348 nan 8.280 nan 0.000 0.632 123 E N 0.278 120.543 120.200 0.109 0.000 2.169 123 E HA -0.226 4.124 4.350 -0.000 0.000 0.202 123 E C 1.205 177.873 176.600 0.113 0.000 1.016 123 E CA 1.434 57.888 56.400 0.089 0.000 0.817 123 E CB -0.002 29.741 29.700 0.071 0.000 0.736 123 E HN 0.494 nan 8.360 nan 0.000 0.462 124 E N 0.552 120.792 120.200 0.067 0.000 2.652 124 E HA -0.169 4.181 4.350 -0.000 0.000 0.255 124 E C 0.213 176.878 176.600 0.109 0.000 0.952 124 E CA 0.006 56.411 56.400 0.008 0.000 0.947 124 E CB 0.236 29.931 29.700 -0.008 0.000 0.912 124 E HN 0.173 nan 8.360 nan 0.000 0.489 125 Y N 4.080 124.402 120.300 0.037 0.000 2.024 125 Y HA -0.372 4.178 4.550 -0.000 0.000 0.257 125 Y C 1.717 177.632 175.900 0.025 0.000 1.233 125 Y CA 2.100 60.218 58.100 0.030 0.000 1.087 125 Y CB -1.330 37.150 38.460 0.033 0.000 0.905 125 Y HN 0.783 nan 8.280 nan 0.000 0.503 126 K N -1.293 119.215 120.400 0.180 0.000 2.646 126 K HA -0.252 4.068 4.320 -0.000 0.000 0.854 126 K C -0.036 176.664 176.600 0.166 0.000 2.141 126 K CA 0.982 57.345 56.287 0.126 0.000 1.426 126 K CB -1.310 31.254 32.500 0.107 0.000 2.695 126 K HN 0.358 nan 8.250 nan 0.000 0.191 127 D N -2.584 117.888 120.400 0.120 0.000 2.792 127 D HA -0.152 4.488 4.640 -0.000 0.000 0.192 127 D C -0.633 175.733 176.300 0.110 0.000 1.007 127 D CA 1.431 55.495 54.000 0.107 0.000 1.020 127 D CB -0.791 40.075 40.800 0.111 0.000 1.089 127 D HN 0.329 nan 8.370 nan 0.000 0.438 128 V N 2.733 122.718 119.914 0.119 0.000 2.356 128 V HA 0.245 4.365 4.120 -0.000 0.000 0.258 128 V C -1.714 174.427 176.094 0.078 0.000 1.065 128 V CA -0.928 61.426 62.300 0.089 0.000 0.935 128 V CB 1.118 32.985 31.823 0.073 0.000 1.061 128 V HN -0.031 nan 8.190 nan 0.000 0.484 129 P HA 0.283 nan 4.420 nan 0.000 0.270 129 P C -0.527 176.798 177.300 0.042 0.000 1.227 129 P CA -0.008 63.120 63.100 0.048 0.000 0.788 129 P CB 0.810 32.528 31.700 0.030 0.000 0.926 130 I N 0.402 120.996 120.570 0.041 0.000 2.512 130 I HA 0.180 4.350 4.170 -0.000 0.000 0.287 130 I C -0.833 175.294 176.117 0.016 0.000 1.069 130 I CA -1.010 60.306 61.300 0.025 0.000 1.056 130 I CB 2.181 40.205 38.000 0.041 0.000 1.229 130 I HN -0.061 nan 8.210 nan 0.000 0.429 131 V N 8.108 128.022 119.914 -0.000 0.000 2.406 131 V HA 0.396 4.516 4.120 -0.000 0.000 0.272 131 V C -2.321 173.769 176.094 -0.007 0.000 1.043 131 V CA -1.542 60.754 62.300 -0.007 0.000 0.915 131 V CB 1.076 32.886 31.823 -0.022 0.000 0.988 131 V HN 0.508 nan 8.190 nan 0.000 0.466 132 P HA 0.570 nan 4.420 nan 0.000 0.303 132 P C -1.149 176.144 177.300 -0.011 0.000 1.350 132 P CA -0.596 62.505 63.100 0.001 0.000 0.880 132 P CB 1.888 33.599 31.700 0.019 0.000 1.018 133 V N 3.534 123.438 119.914 -0.016 0.000 2.789 133 V HA 0.397 4.517 4.120 -0.000 0.000 0.311 133 V C -0.233 175.838 176.094 -0.039 0.000 1.073 133 V CA -0.619 61.660 62.300 -0.034 0.000 0.921 133 V CB 2.352 34.145 31.823 -0.050 0.000 1.009 133 V HN 0.424 nan 8.190 nan 0.000 0.426 134 N N 3.005 121.676 118.700 -0.048 0.000 2.527 134 N HA 0.432 5.172 4.740 -0.000 0.000 0.236 134 N C -0.211 175.238 175.510 -0.102 0.000 0.999 134 N CA -0.050 52.965 53.050 -0.059 0.000 0.935 134 N CB 1.464 39.929 38.487 -0.037 0.000 1.132 134 N HN 0.915 nan 8.380 nan 0.000 0.511 135 T N -0.705 113.760 114.554 -0.149 0.000 3.428 135 T HA 0.331 4.681 4.350 -0.000 0.000 0.301 135 T C -2.964 171.554 174.700 -0.304 0.000 1.323 135 T CA -1.707 60.273 62.100 -0.200 0.000 1.647 135 T CB 1.079 69.837 68.868 -0.184 0.000 0.871 135 T HN 0.038 nan 8.240 nan 0.000 0.627 136 P HA 0.145 nan 4.420 nan 0.000 0.262 136 P C 0.810 177.724 177.300 -0.643 0.000 1.199 136 P CA 0.001 62.656 63.100 -0.741 0.000 0.763 136 P CB 0.612 31.567 31.700 -1.241 0.000 0.790 137 D N 3.407 123.503 120.400 -0.507 0.000 2.218 137 D HA -0.234 4.406 4.640 -0.000 0.000 0.194 137 D C 1.391 177.579 176.300 -0.187 0.000 1.007 137 D CA 1.722 55.559 54.000 -0.271 0.000 0.879 137 D CB -0.576 40.137 40.800 -0.145 0.000 0.918 137 D HN 0.567 nan 8.370 nan 0.000 0.449 138 F N 0.631 120.552 119.950 -0.049 0.000 2.802 138 F HA 0.183 4.710 4.527 -0.000 0.000 0.300 138 F C 0.759 176.543 175.800 -0.027 0.000 1.168 138 F CA -0.323 57.656 58.000 -0.035 0.000 1.433 138 F CB -0.228 38.755 39.000 -0.030 0.000 1.115 138 F HN -0.212 nan 8.300 nan 0.000 0.582 139 S N -0.998 114.687 115.700 -0.026 0.000 2.632 139 S HA 0.801 5.270 4.470 -0.000 0.000 0.289 139 S C 0.226 174.811 174.600 -0.024 0.000 1.115 139 S CA -0.601 57.613 58.200 0.023 0.000 0.889 139 S CB 1.263 64.491 63.200 0.047 0.000 1.116 139 S HN 0.845 nan 8.310 nan 0.000 0.486 140 G N 0.114 108.916 108.800 0.004 0.000 2.578 140 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.275 140 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.275 140 G C 0.257 175.161 174.900 0.006 0.000 1.271 140 G CA 0.647 45.749 45.100 0.002 0.000 0.941 140 G HN 2.398 nan 8.290 nan 0.000 0.564 141 C N -4.458 114.851 119.300 0.016 0.000 3.272 141 C HA 0.701 5.161 4.460 -0.000 0.000 0.363 141 C C 1.223 176.263 174.990 0.082 0.000 1.514 141 C CA 0.059 59.109 59.018 0.054 0.000 1.185 141 C CB 0.480 28.268 27.740 0.081 0.000 1.716 141 C HN 1.438 nan 8.230 nan 0.000 0.440 142 F N 1.668 121.603 119.950 -0.024 0.000 2.065 142 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 142 F C 2.476 178.299 175.800 0.038 0.000 1.112 142 F CA 2.698 60.686 58.000 -0.020 0.000 1.212 142 F CB -0.111 38.863 39.000 -0.043 0.000 0.975 142 F HN 0.917 nan 8.300 nan 0.000 0.476 143 E N -0.213 120.131 120.200 0.240 0.000 2.072 143 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 143 E C 2.255 178.931 176.600 0.127 0.000 0.985 143 E CA 1.518 58.027 56.400 0.183 0.000 0.801 143 E CB -0.281 29.536 29.700 0.196 0.000 0.750 143 E HN 0.514 nan 8.360 nan 0.000 0.452 144 S N -0.059 115.689 115.700 0.080 0.000 2.368 144 S HA -0.053 4.416 4.470 -0.000 0.000 0.224 144 S C 2.210 176.811 174.600 0.001 0.000 1.029 144 S CA 0.967 59.193 58.200 0.042 0.000 0.988 144 S CB -0.993 62.223 63.200 0.026 0.000 0.838 144 S HN 0.408 nan 8.310 nan 0.000 0.462 145 G N 1.346 110.127 108.800 -0.031 0.000 2.553 145 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 145 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 145 G C 1.191 176.046 174.900 -0.075 0.000 1.195 145 G CA 1.137 46.186 45.100 -0.085 0.000 0.779 145 G HN 0.517 nan 8.290 nan 0.000 0.577 146 F N 2.481 122.279 119.950 -0.254 0.000 2.043 146 F HA -0.045 4.482 4.527 -0.000 0.000 0.297 146 F C 2.878 178.611 175.800 -0.113 0.000 1.121 146 F CA 1.838 59.704 58.000 -0.223 0.000 1.199 146 F CB -0.590 38.243 39.000 -0.278 0.000 0.968 146 F HN 0.237 nan 8.300 nan 0.000 0.478 147 A N -0.073 122.734 122.820 -0.022 0.000 2.139 147 A HA -0.088 4.232 4.320 -0.000 0.000 0.221 147 A C 2.218 179.716 177.584 -0.144 0.000 1.159 147 A CA 1.781 53.760 52.037 -0.096 0.000 0.662 147 A CB -1.455 17.567 19.000 0.037 0.000 0.796 147 A HN 0.568 nan 8.150 nan 0.000 0.463 148 A N -1.074 121.667 122.820 -0.132 0.000 2.030 148 A HA 0.493 4.812 4.320 -0.000 0.000 0.215 148 A C 2.159 179.658 177.584 -0.141 0.000 1.164 148 A CA 1.132 53.103 52.037 -0.111 0.000 0.697 148 A CB -0.435 18.515 19.000 -0.083 0.000 0.827 148 A HN 0.954 nan 8.150 nan 0.000 0.457 149 A N -0.658 122.041 122.820 -0.201 0.000 2.218 149 A HA 0.332 4.652 4.320 -0.000 0.000 0.209 149 A C 1.792 179.231 177.584 -0.241 0.000 1.168 149 A CA 1.010 52.931 52.037 -0.195 0.000 0.804 149 A CB -0.256 18.633 19.000 -0.185 0.000 0.834 149 A HN 0.251 nan 8.150 nan 0.000 0.482 150 V N -0.362 119.369 119.914 -0.306 0.000 2.500 150 V HA -0.116 4.004 4.120 -0.000 0.000 0.243 150 V C 2.371 178.373 176.094 -0.152 0.000 1.039 150 V CA 1.707 63.849 62.300 -0.264 0.000 1.053 150 V CB -0.381 31.254 31.823 -0.313 0.000 0.695 150 V HN 0.522 nan 8.190 nan 0.000 0.463 151 K N 0.430 120.753 120.400 -0.129 0.000 2.020 151 K HA -0.227 4.093 4.320 -0.000 0.000 0.212 151 K C 2.224 178.779 176.600 -0.076 0.000 1.050 151 K CA 1.815 58.051 56.287 -0.085 0.000 0.929 151 K CB -0.346 32.112 32.500 -0.070 0.000 0.714 151 K HN 0.441 nan 8.250 nan 0.000 0.443 152 A N 1.101 123.871 122.820 -0.083 0.000 1.933 152 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 152 A C 2.070 179.618 177.584 -0.061 0.000 1.175 152 A CA 1.275 53.274 52.037 -0.064 0.000 0.628 152 A CB -0.483 18.480 19.000 -0.061 0.000 0.814 152 A HN 0.282 nan 8.150 nan 0.000 0.444 153 I N -0.687 119.834 120.570 -0.081 0.000 2.142 153 I HA -0.228 3.942 4.170 -0.000 0.000 0.240 153 I C 2.396 178.482 176.117 -0.052 0.000 1.078 153 I CA 1.199 62.458 61.300 -0.068 0.000 1.343 153 I CB -0.465 37.480 38.000 -0.090 0.000 1.046 153 I HN 0.153 nan 8.210 nan 0.000 0.405 154 V N 0.945 120.824 119.914 -0.058 0.000 2.250 154 V HA -0.346 3.774 4.120 -0.000 0.000 0.250 154 V C 2.387 178.461 176.094 -0.034 0.000 1.060 154 V CA 2.287 64.561 62.300 -0.043 0.000 1.030 154 V CB -0.682 31.114 31.823 -0.045 0.000 0.643 154 V HN 0.469 nan 8.190 nan 0.000 0.445 155 E N -0.670 119.508 120.200 -0.036 0.000 2.150 155 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 155 E C 2.188 178.776 176.600 -0.020 0.000 0.985 155 E CA 1.579 57.963 56.400 -0.028 0.000 0.814 155 E CB -0.246 29.436 29.700 -0.030 0.000 0.752 155 E HN 0.575 nan 8.360 nan 0.000 0.466 156 T N 0.806 115.348 114.554 -0.020 0.000 3.023 156 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 156 T C 0.245 174.942 174.700 -0.006 0.000 1.093 156 T CA 0.592 62.686 62.100 -0.010 0.000 1.129 156 T CB 0.191 69.054 68.868 -0.008 0.000 0.899 156 T HN -0.101 nan 8.240 nan 0.000 0.491 157 L N 1.779 122.995 121.223 -0.012 0.000 2.387 157 L HA 0.448 4.788 4.340 -0.000 0.000 0.259 157 L C 0.722 177.587 176.870 -0.008 0.000 1.050 157 L CA -0.582 54.254 54.840 -0.008 0.000 0.922 157 L CB 0.226 42.279 42.059 -0.009 0.000 1.280 157 L HN -0.074 nan 8.230 nan 0.000 0.449 158 V N 2.704 122.614 119.914 -0.005 0.000 1.951 158 V HA -0.231 3.889 4.120 -0.000 0.000 0.110 158 V C -0.695 175.394 176.094 -0.008 0.000 1.487 158 V CA 1.325 63.622 62.300 -0.005 0.000 2.150 158 V CB -0.938 30.882 31.823 -0.004 0.000 1.501 158 V HN 0.572 nan 8.190 nan 0.000 1.002 159 P HA -0.190 nan 4.420 nan 0.000 0.218 159 P C 1.238 178.531 177.300 -0.013 0.000 1.146 159 P CA 2.325 65.416 63.100 -0.014 0.000 0.813 159 P CB 0.140 31.829 31.700 -0.017 0.000 0.778 160 E N 0.000 120.194 120.200 -0.011 0.000 2.062 160 E HA -0.046 4.304 4.350 -0.000 0.000 0.196 160 E C 2.153 178.747 176.600 -0.010 0.000 0.949 160 E CA 0.228 56.621 56.400 -0.011 0.000 0.889 160 E CB -1.219 28.474 29.700 -0.011 0.000 0.928 160 E HN -0.182 nan 8.360 nan 0.000 0.476 161 R N 1.261 121.756 120.500 -0.008 0.000 2.222 161 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 161 R C 0.895 177.190 176.300 -0.008 0.000 1.112 161 R CA 1.529 57.624 56.100 -0.008 0.000 0.897 161 R CB -0.687 29.610 30.300 -0.006 0.000 0.882 161 R HN 0.167 nan 8.270 nan 0.000 0.429 162 R N 1.407 121.902 120.500 -0.008 0.000 2.774 162 R HA 0.125 4.465 4.340 -0.000 0.000 0.269 162 R C 0.295 176.588 176.300 -0.010 0.000 1.068 162 R CA 0.203 56.297 56.100 -0.008 0.000 1.180 162 R CB -0.028 30.267 30.300 -0.008 0.000 1.077 162 R HN 0.499 nan 8.270 nan 0.000 0.513 163 D N -1.325 119.069 120.400 -0.011 0.000 2.808 163 D HA -0.029 4.611 4.640 -0.000 0.000 0.294 163 D C 0.356 176.649 176.300 -0.012 0.000 1.278 163 D CA -0.381 53.612 54.000 -0.012 0.000 0.756 163 D CB 0.944 41.737 40.800 -0.012 0.000 1.271 163 D HN 0.480 nan 8.370 nan 0.000 0.425 164 Q N -0.550 119.242 119.800 -0.014 0.000 1.790 164 Q HA -0.380 3.960 4.340 -0.000 0.000 0.172 164 Q C 1.108 177.100 176.000 -0.012 0.000 2.943 164 Q CA 3.202 58.997 55.803 -0.013 0.000 0.194 164 Q CB -1.268 27.463 28.738 -0.012 0.000 0.229 164 Q HN 0.340 nan 8.270 nan 0.000 0.360 165 V N -0.055 119.853 119.914 -0.011 0.000 3.306 165 V HA 0.106 4.226 4.120 -0.000 0.000 0.264 165 V C 1.379 177.467 176.094 -0.010 0.000 1.149 165 V CA 1.130 63.424 62.300 -0.010 0.000 1.143 165 V CB 0.126 31.944 31.823 -0.008 0.000 0.767 165 V HN 0.466 nan 8.190 nan 0.000 0.476 166 G N 2.448 111.242 108.800 -0.010 0.000 3.064 166 G HA2 0.422 4.382 3.960 -0.000 0.000 0.286 166 G HA3 0.422 4.382 3.960 -0.000 0.000 0.286 166 G C 0.272 175.165 174.900 -0.012 0.000 0.834 166 G CA -0.292 44.802 45.100 -0.010 0.000 1.856 166 G HN 0.734 nan 8.290 nan 0.000 0.559 167 K N 0.432 120.825 120.400 -0.012 0.000 3.204 167 K HA 0.251 4.571 4.320 -0.000 0.000 0.196 167 K C 0.464 177.056 176.600 -0.013 0.000 1.229 167 K CA -0.754 55.525 56.287 -0.014 0.000 0.820 167 K CB 0.291 32.781 32.500 -0.017 0.000 1.130 167 K HN 0.326 nan 8.250 nan 0.000 0.569 168 R N -0.184 120.309 120.500 -0.011 0.000 2.009 168 R HA 0.284 4.624 4.340 -0.000 0.000 0.206 168 R C -1.182 175.112 176.300 -0.009 0.000 1.356 168 R CA -0.230 55.865 56.100 -0.009 0.000 1.088 168 R CB -1.829 28.467 30.300 -0.007 0.000 0.959 168 R HN 0.203 nan 8.270 nan 0.000 0.469 169 P HA -0.078 nan 4.420 nan 0.000 0.317 169 P C -0.075 177.219 177.300 -0.009 0.000 1.427 169 P CA 0.433 63.529 63.100 -0.006 0.000 0.820 169 P CB 0.216 31.913 31.700 -0.005 0.000 1.894 170 R N -0.860 119.635 120.500 -0.008 0.000 2.615 170 R HA 0.171 4.510 4.340 -0.000 0.000 0.448 170 R C -0.150 176.142 176.300 -0.013 0.000 1.009 170 R CA -0.172 55.921 56.100 -0.011 0.000 1.111 170 R CB -0.573 29.725 30.300 -0.003 0.000 1.461 170 R HN 0.431 nan 8.270 nan 0.000 0.587 171 Q N 1.928 121.721 119.800 -0.012 0.000 2.288 171 Q HA 0.314 4.654 4.340 -0.000 0.000 0.258 171 Q C -0.680 175.308 176.000 -0.020 0.000 0.957 171 Q CA -0.454 55.342 55.803 -0.011 0.000 0.919 171 Q CB 1.447 30.182 28.738 -0.006 0.000 1.185 171 Q HN 0.240 nan 8.270 nan 0.000 0.408 172 V N 2.648 122.548 119.914 -0.024 0.000 2.347 172 V HA 0.396 4.516 4.120 -0.000 0.000 0.280 172 V C -0.278 175.808 176.094 -0.013 0.000 1.021 172 V CA -1.252 61.026 62.300 -0.037 0.000 0.847 172 V CB 1.101 32.880 31.823 -0.073 0.000 0.990 172 V HN 0.722 nan 8.190 nan 0.000 0.444 173 N N 2.883 121.576 118.700 -0.011 0.000 2.520 173 N HA 0.446 5.186 4.740 -0.000 0.000 0.273 173 N C -0.569 174.956 175.510 0.026 0.000 1.155 173 N CA -0.092 52.962 53.050 0.007 0.000 0.967 173 N CB 1.908 40.394 38.487 -0.001 0.000 1.092 173 N HN 0.620 nan 8.380 nan 0.000 0.457 174 V N 3.405 123.349 119.914 0.050 0.000 2.407 174 V HA 0.315 4.435 4.120 -0.000 0.000 0.291 174 V C 0.215 176.355 176.094 0.077 0.000 1.018 174 V CA -0.721 61.630 62.300 0.085 0.000 0.842 174 V CB 1.584 33.489 31.823 0.135 0.000 0.996 174 V HN 0.437 nan 8.190 nan 0.000 0.426 175 L N 4.512 125.779 121.223 0.072 0.000 2.283 175 L HA 0.382 4.722 4.340 -0.000 0.000 0.287 175 L C -0.270 176.661 176.870 0.101 0.000 1.073 175 L CA -0.058 54.821 54.840 0.064 0.000 0.822 175 L CB 0.761 42.843 42.059 0.039 0.000 1.186 175 L HN 0.660 nan 8.230 nan 0.000 0.436 176 C N 2.101 121.481 119.300 0.132 0.000 2.365 176 C HA 0.512 4.972 4.460 -0.000 0.000 0.351 176 C C 0.970 176.142 174.990 0.304 0.000 1.240 176 C CA -0.748 58.381 59.018 0.185 0.000 2.062 176 C CB 1.062 28.922 27.740 0.199 0.000 2.387 176 C HN 0.887 nan 8.230 nan 0.000 0.537 177 S N 2.128 117.985 115.700 0.262 0.000 2.694 177 S HA 0.608 5.078 4.470 -0.000 0.000 0.278 177 S C 0.947 175.640 174.600 0.155 0.000 1.152 177 S CA 0.027 58.437 58.200 0.349 0.000 1.010 177 S CB 0.852 64.157 63.200 0.174 0.000 1.104 177 S HN 0.913 nan 8.310 nan 0.000 0.547 178 A N 0.505 123.234 122.820 -0.152 0.000 2.014 178 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 178 A C 1.541 179.060 177.584 -0.109 0.000 1.163 178 A CA 1.242 52.805 52.037 -0.790 0.000 0.652 178 A CB -1.139 17.556 19.000 -0.509 0.000 0.808 178 A HN 0.871 nan 8.150 nan 0.000 0.449 179 N N -0.758 117.973 118.700 0.051 0.000 2.235 179 N HA 0.221 4.961 4.740 -0.000 0.000 0.209 179 N C -0.961 174.600 175.510 0.085 0.000 1.122 179 N CA -0.354 52.776 53.050 0.132 0.000 0.845 179 N CB 0.325 38.851 38.487 0.065 0.000 1.004 179 N HN 0.179 nan 8.380 nan 0.000 0.499 180 L N 1.843 123.125 121.223 0.098 0.000 2.369 180 L HA 0.134 4.473 4.340 -0.000 0.000 0.279 180 L C 1.022 178.025 176.870 0.222 0.000 1.108 180 L CA 0.012 54.934 54.840 0.136 0.000 0.852 180 L CB -0.021 42.107 42.059 0.114 0.000 1.169 180 L HN 0.163 nan 8.230 nan 0.000 0.452 181 T N 1.748 116.459 114.554 0.262 0.000 2.874 181 T HA 0.346 4.696 4.350 -0.000 0.000 0.281 181 T C -1.744 173.131 174.700 0.291 0.000 0.994 181 T CA -1.739 60.556 62.100 0.325 0.000 1.015 181 T CB 0.814 69.895 68.868 0.354 0.000 1.028 181 T HN 0.356 nan 8.240 nan 0.000 0.523 182 P HA -0.098 nan 4.420 nan 0.000 0.218 182 P C 1.742 179.172 177.300 0.216 0.000 1.154 182 P CA 1.590 64.850 63.100 0.266 0.000 0.872 182 P CB -0.430 31.464 31.700 0.324 0.000 0.790 183 G N -1.222 107.695 108.800 0.195 0.000 2.534 183 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 183 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 183 G C 1.233 176.235 174.900 0.171 0.000 1.128 183 G CA 0.505 45.692 45.100 0.145 0.000 0.784 183 G HN 0.202 nan 8.290 nan 0.000 0.542 184 D N 0.282 120.803 120.400 0.200 0.000 2.194 184 D HA 0.034 4.674 4.640 -0.000 0.000 0.204 184 D C 2.607 179.021 176.300 0.191 0.000 0.964 184 D CA 0.265 54.382 54.000 0.194 0.000 0.846 184 D CB 0.145 41.058 40.800 0.190 0.000 0.962 184 D HN 0.287 nan 8.370 nan 0.000 0.490 185 L N 0.661 121.992 121.223 0.180 0.000 2.095 185 L HA -0.047 4.293 4.340 -0.000 0.000 0.204 185 L C 2.388 179.352 176.870 0.157 0.000 1.080 185 L CA 0.802 55.736 54.840 0.158 0.000 0.759 185 L CB -0.217 41.938 42.059 0.160 0.000 0.914 185 L HN -0.054 nan 8.230 nan 0.000 0.439 186 E N -0.324 119.980 120.200 0.173 0.000 2.051 186 E HA -0.285 4.065 4.350 -0.000 0.000 0.192 186 E C 2.080 178.793 176.600 0.188 0.000 0.991 186 E CA 1.609 58.109 56.400 0.168 0.000 0.799 186 E CB -0.196 29.604 29.700 0.166 0.000 0.748 186 E HN 0.382 nan 8.360 nan 0.000 0.449 187 Y N 1.176 121.534 120.300 0.095 0.000 2.151 187 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 187 Y C 1.963 177.923 175.900 0.100 0.000 1.166 187 Y CA 1.598 59.752 58.100 0.090 0.000 1.163 187 Y CB -0.244 38.234 38.460 0.030 0.000 0.974 187 Y HN 0.003 nan 8.280 nan 0.000 0.511 188 I N -0.191 120.395 120.570 0.027 0.000 2.315 188 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 188 I C 2.581 178.796 176.117 0.164 0.000 1.117 188 I CA 1.163 62.450 61.300 -0.021 0.000 1.404 188 I CB -0.520 37.483 38.000 0.005 0.000 1.071 188 I HN 0.384 nan 8.210 nan 0.000 0.419 189 A N 0.323 123.212 122.820 0.115 0.000 1.854 189 A HA -0.135 4.185 4.320 -0.000 0.000 0.214 189 A C 2.180 179.822 177.584 0.098 0.000 1.192 189 A CA 1.129 53.234 52.037 0.113 0.000 0.611 189 A CB -0.419 18.645 19.000 0.106 0.000 0.832 189 A HN 0.283 nan 8.150 nan 0.000 0.442 190 E N 0.266 120.523 120.200 0.095 0.000 2.070 190 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 190 E C 2.226 178.902 176.600 0.127 0.000 1.004 190 E CA 1.411 57.880 56.400 0.117 0.000 0.805 190 E CB -1.051 28.738 29.700 0.148 0.000 0.744 190 E HN 0.497 nan 8.360 nan 0.000 0.451 191 S N 0.267 115.970 115.700 0.006 0.000 2.374 191 S HA -0.146 4.324 4.470 -0.000 0.000 0.227 191 S C 2.043 176.731 174.600 0.146 0.000 1.037 191 S CA 1.011 59.204 58.200 -0.011 0.000 1.024 191 S CB -0.230 62.804 63.200 -0.276 0.000 0.861 191 S HN 0.189 nan 8.310 nan 0.000 0.456 192 I N 1.191 121.809 120.570 0.080 0.000 2.110 192 I HA -0.164 4.006 4.170 -0.000 0.000 0.236 192 I C 2.539 178.734 176.117 0.131 0.000 1.068 192 I CA 1.588 62.896 61.300 0.013 0.000 1.333 192 I CB -0.552 37.441 38.000 -0.013 0.000 1.054 192 I HN 0.367 nan 8.210 nan 0.000 0.402 193 E N 0.535 120.803 120.200 0.113 0.000 2.208 193 E HA -0.288 4.062 4.350 -0.000 0.000 0.202 193 E C 2.075 178.755 176.600 0.133 0.000 1.014 193 E CA 1.768 58.233 56.400 0.108 0.000 0.819 193 E CB -0.266 29.487 29.700 0.088 0.000 0.735 193 E HN 0.525 nan 8.360 nan 0.000 0.469 194 S N -0.277 115.535 115.700 0.187 0.000 2.515 194 S HA -0.065 4.405 4.470 -0.000 0.000 0.231 194 S C 1.309 175.932 174.600 0.039 0.000 0.987 194 S CA 0.395 58.676 58.200 0.134 0.000 0.936 194 S CB -0.175 63.162 63.200 0.227 0.000 0.766 194 S HN 0.195 nan 8.310 nan 0.000 0.528 195 F N 1.315 121.285 119.950 0.032 0.000 2.727 195 F HA 0.400 4.927 4.527 -0.000 0.000 0.302 195 F C 1.900 177.696 175.800 -0.007 0.000 1.097 195 F CA 0.231 58.234 58.000 0.005 0.000 1.330 195 F CB 0.424 39.396 39.000 -0.046 0.000 1.084 195 F HN 0.391 nan 8.300 nan 0.000 0.578 196 G N 0.773 109.654 108.800 0.134 0.000 2.179 196 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 196 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 196 G C 0.428 175.370 174.900 0.070 0.000 0.977 196 G CA 0.142 45.289 45.100 0.079 0.000 0.641 196 G HN 0.253 nan 8.290 nan 0.000 0.533 197 L N -0.546 120.727 121.223 0.084 0.000 2.505 197 L HA 0.711 5.051 4.340 -0.000 0.000 0.226 197 L C 1.085 177.975 176.870 0.032 0.000 1.211 197 L CA -0.324 54.536 54.840 0.034 0.000 0.828 197 L CB 0.509 42.563 42.059 -0.009 0.000 1.331 197 L HN 0.444 nan 8.230 nan 0.000 0.513 198 R N 0.347 120.856 120.500 0.015 0.000 2.510 198 R HA 0.466 4.805 4.340 -0.000 0.000 0.294 198 R C -2.967 173.343 176.300 0.017 0.000 1.056 198 R CA -1.533 54.580 56.100 0.022 0.000 0.918 198 R CB 1.257 31.570 30.300 0.020 0.000 1.187 198 R HN 0.122 nan 8.270 nan 0.000 0.437 199 P HA 0.107 nan 4.420 nan 0.000 0.285 199 P C -0.815 176.506 177.300 0.034 0.000 1.259 199 P CA -0.446 62.675 63.100 0.035 0.000 0.794 199 P CB 1.234 32.971 31.700 0.060 0.000 0.940 200 L N 5.044 126.285 121.223 0.029 0.000 2.313 200 L HA 0.341 4.681 4.340 -0.000 0.000 0.273 200 L C -0.384 176.509 176.870 0.039 0.000 1.028 200 L CA -0.855 54.002 54.840 0.028 0.000 0.871 200 L CB 0.181 42.249 42.059 0.016 0.000 1.242 200 L HN 0.291 nan 8.230 nan 0.000 0.434 201 L N 5.698 126.951 121.223 0.050 0.000 2.360 201 L HA 0.334 4.674 4.340 -0.000 0.000 0.276 201 L C -0.287 176.615 176.870 0.054 0.000 1.121 201 L CA 0.045 54.925 54.840 0.066 0.000 0.845 201 L CB 1.149 43.257 42.059 0.081 0.000 1.143 201 L HN 0.542 nan 8.230 nan 0.000 0.452 202 I N 5.938 126.541 120.570 0.056 0.000 2.439 202 I HA 0.338 4.507 4.170 -0.000 0.000 0.283 202 I C -2.108 174.036 176.117 0.045 0.000 1.023 202 I CA -1.683 59.637 61.300 0.033 0.000 1.100 202 I CB 2.049 40.054 38.000 0.008 0.000 1.238 202 I HN 0.403 nan 8.210 nan 0.000 0.445 203 P HA 0.251 nan 4.420 nan 0.000 0.328 203 P C -1.087 176.273 177.300 0.099 0.000 1.305 203 P CA -0.207 62.926 63.100 0.055 0.000 0.745 203 P CB 1.112 32.832 31.700 0.033 0.000 1.462 204 D N -0.618 119.829 120.400 0.078 0.000 2.358 204 D HA 0.231 4.871 4.640 -0.000 0.000 0.253 204 D C 0.837 177.172 176.300 0.059 0.000 1.288 204 D CA -0.314 53.732 54.000 0.076 0.000 0.950 204 D CB 0.188 41.017 40.800 0.049 0.000 1.197 204 D HN 0.059 nan 8.370 nan 0.000 0.550 205 L N 1.424 122.703 121.223 0.092 0.000 2.291 205 L HA -0.063 4.277 4.340 -0.000 0.000 0.214 205 L C 2.210 179.119 176.870 0.066 0.000 1.120 205 L CA 0.480 55.354 54.840 0.056 0.000 0.799 205 L CB -0.086 42.039 42.059 0.111 0.000 0.925 205 L HN 0.231 nan 8.230 nan 0.000 0.446 206 S N 0.326 116.090 115.700 0.108 0.000 2.387 206 S HA -0.185 4.285 4.470 -0.000 0.000 0.230 206 S C 2.038 176.681 174.600 0.072 0.000 1.035 206 S CA 1.477 59.759 58.200 0.137 0.000 1.014 206 S CB -0.634 62.649 63.200 0.138 0.000 0.836 206 S HN 0.631 nan 8.310 nan 0.000 0.466 207 G N 1.056 109.832 108.800 -0.040 0.000 2.408 207 G HA2 -0.086 3.873 3.960 -0.000 0.000 0.215 207 G HA3 -0.086 3.873 3.960 -0.000 0.000 0.215 207 G C 1.631 176.347 174.900 -0.306 0.000 1.156 207 G CA 0.985 45.949 45.100 -0.226 0.000 0.793 207 G HN 0.657 nan 8.290 nan 0.000 0.535 208 S N -0.315 115.302 115.700 -0.139 0.000 2.404 208 S HA 0.273 4.742 4.470 -0.000 0.000 0.223 208 S C 0.923 175.471 174.600 -0.086 0.000 1.040 208 S CA -0.069 58.061 58.200 -0.116 0.000 0.957 208 S CB -0.055 63.075 63.200 -0.116 0.000 0.826 208 S HN 0.081 nan 8.310 nan 0.000 0.491 209 L N 2.938 124.103 121.223 -0.096 0.000 2.335 209 L HA 0.608 4.948 4.340 -0.000 0.000 0.268 209 L C -0.768 176.158 176.870 0.094 0.000 1.037 209 L CA -0.317 54.425 54.840 -0.165 0.000 0.895 209 L CB 0.619 42.248 42.059 -0.717 0.000 1.266 209 L HN 0.314 nan 8.230 nan 0.000 0.439 210 D N 1.301 121.822 120.400 0.201 0.000 3.650 210 D HA 0.173 4.813 4.640 -0.000 0.000 0.341 210 D C -0.248 176.168 176.300 0.194 0.000 1.479 210 D CA -0.715 53.444 54.000 0.266 0.000 0.963 210 D CB 1.185 42.164 40.800 0.299 0.000 1.449 210 D HN 0.270 nan 8.370 nan 0.000 0.601 211 G N -0.053 108.839 108.800 0.153 0.000 2.391 211 G HA2 0.315 4.275 3.960 -0.000 0.000 0.305 211 G HA3 0.315 4.275 3.960 -0.000 0.000 0.305 211 G C -0.142 174.774 174.900 0.026 0.000 1.072 211 G CA 0.224 45.393 45.100 0.116 0.000 1.016 211 G HN 0.376 nan 8.290 nan 0.000 0.418 212 H N 2.381 121.483 119.070 0.054 0.000 3.398 212 H HA 0.321 4.877 4.556 -0.000 0.000 0.260 212 H C 0.030 175.295 175.328 -0.105 0.000 1.189 212 H CA 0.000 56.046 56.048 -0.003 0.000 1.145 212 H CB 0.732 30.502 29.762 0.013 0.000 1.599 212 H HN 0.335 nan 8.280 nan 0.000 0.615 213 L N 0.549 121.709 121.223 -0.106 0.000 2.309 213 L HA 0.230 4.570 4.340 -0.000 0.000 0.261 213 L C 0.134 176.799 176.870 -0.342 0.000 1.021 213 L CA -0.415 54.186 54.840 -0.397 0.000 0.823 213 L CB 2.160 43.558 42.059 -1.101 0.000 1.366 213 L HN 0.063 nan 8.230 nan 0.000 0.423 214 D N -1.899 118.308 120.400 -0.321 0.000 2.520 214 D HA 0.110 4.750 4.640 -0.000 0.000 0.223 214 D C -0.066 176.157 176.300 -0.129 0.000 1.186 214 D CA -0.254 53.649 54.000 -0.161 0.000 0.821 214 D CB 0.348 41.094 40.800 -0.089 0.000 1.072 214 D HN 0.215 nan 8.370 nan 0.000 0.518 215 E N 0.213 120.287 120.200 -0.210 0.000 2.349 215 E HA 0.299 4.649 4.350 -0.000 0.000 0.265 215 E C 0.603 177.285 176.600 0.136 0.000 1.064 215 E CA -0.323 56.054 56.400 -0.038 0.000 0.886 215 E CB 0.708 30.413 29.700 0.008 0.000 1.036 215 E HN -0.128 nan 8.360 nan 0.000 0.413 216 N N 0.947 119.761 118.700 0.190 0.000 2.309 216 N HA -0.072 4.668 4.740 -0.000 0.000 0.182 216 N C -0.205 175.517 175.510 0.354 0.000 1.018 216 N CA 0.889 54.085 53.050 0.244 0.000 0.876 216 N CB 0.245 38.808 38.487 0.127 0.000 0.972 216 N HN 0.161 nan 8.380 nan 0.000 0.434 217 R N -0.129 120.611 120.500 0.399 0.000 2.604 217 R HA 0.182 4.522 4.340 -0.000 0.000 0.281 217 R C -1.358 175.268 176.300 0.544 0.000 1.020 217 R CA -0.409 55.856 56.100 0.275 0.000 0.899 217 R CB 0.566 30.916 30.300 0.084 0.000 1.205 217 R HN 0.064 nan 8.270 nan 0.000 0.450 218 F N 4.159 124.115 119.950 0.011 0.000 2.835 218 F HA 0.111 4.638 4.527 -0.000 0.000 0.342 218 F C 1.395 177.195 175.800 0.000 0.000 1.202 218 F CA -0.898 57.107 58.000 0.007 0.000 1.240 218 F CB 0.202 39.208 39.000 0.010 0.000 1.005 218 F HN 0.512 nan 8.300 nan 0.000 0.507 219 N N 2.676 121.415 118.700 0.066 0.000 1.978 219 N HA -0.401 4.339 4.740 -0.000 0.000 0.128 219 N C 0.796 176.318 175.510 0.020 0.000 0.186 219 N CA 2.470 55.536 53.050 0.026 0.000 1.506 219 N CB -1.097 37.411 38.487 0.036 0.000 0.919 219 N HN 0.484 nan 8.380 nan 0.000 0.935 220 A N -0.537 122.310 122.820 0.046 0.000 2.705 220 A HA 0.709 5.029 4.320 -0.000 0.000 0.294 220 A C 1.100 178.704 177.584 0.034 0.000 1.039 220 A CA 0.239 52.290 52.037 0.024 0.000 1.005 220 A CB -0.377 18.629 19.000 0.011 0.000 1.192 220 A HN 1.261 nan 8.150 nan 0.000 0.513 221 L N -2.224 119.038 121.223 0.064 0.000 4.892 221 L HA -0.307 4.033 4.340 -0.000 0.000 0.403 221 L C 1.336 178.236 176.870 0.050 0.000 0.913 221 L CA 1.927 56.799 54.840 0.055 0.000 1.653 221 L CB -2.542 39.519 42.059 0.002 0.000 1.780 221 L HN 0.453 nan 8.230 nan 0.000 0.597 222 T N -1.505 113.085 114.554 0.059 0.000 2.960 222 T HA -0.336 4.013 4.350 -0.000 0.000 0.253 222 T C 1.098 175.788 174.700 -0.016 0.000 1.014 222 T CA 2.209 64.324 62.100 0.025 0.000 1.173 222 T CB -1.321 67.568 68.868 0.036 0.000 0.815 222 T HN 0.790 nan 8.240 nan 0.000 0.502 223 T N 1.530 116.078 114.554 -0.009 0.000 4.029 223 T HA 0.464 4.814 4.350 -0.000 0.000 0.226 223 T C 0.907 175.537 174.700 -0.117 0.000 0.838 223 T CA -0.211 61.846 62.100 -0.072 0.000 0.907 223 T CB -0.301 68.564 68.868 -0.005 0.000 1.296 223 T HN 0.559 nan 8.240 nan 0.000 0.711 224 G N -0.055 108.689 108.800 -0.093 0.000 2.537 224 G HA2 0.596 4.556 3.960 -0.000 0.000 0.297 224 G HA3 0.596 4.556 3.960 -0.000 0.000 0.297 224 G C 0.728 175.571 174.900 -0.094 0.000 1.310 224 G CA -0.439 44.614 45.100 -0.078 0.000 1.027 224 G HN 0.373 nan 8.290 nan 0.000 0.505 225 G N -1.296 107.468 108.800 -0.060 0.000 2.558 225 G HA2 0.222 4.182 3.960 -0.000 0.000 0.218 225 G HA3 0.222 4.182 3.960 -0.000 0.000 0.218 225 G C 0.325 175.211 174.900 -0.023 0.000 1.567 225 G CA -0.279 44.798 45.100 -0.038 0.000 0.950 225 G HN 0.405 nan 8.290 nan 0.000 0.517 226 L N 1.943 123.160 121.223 -0.011 0.000 2.319 226 L HA 0.351 4.691 4.340 -0.000 0.000 0.280 226 L C 0.107 176.972 176.870 -0.009 0.000 1.099 226 L CA 0.073 54.910 54.840 -0.005 0.000 0.828 226 L CB 1.225 43.282 42.059 -0.003 0.000 1.150 226 L HN 0.128 nan 8.230 nan 0.000 0.442 227 S N 1.811 117.507 115.700 -0.006 0.000 2.499 227 S HA 0.111 4.581 4.470 -0.000 0.000 0.275 227 S C 1.439 176.038 174.600 -0.001 0.000 1.257 227 S CA -0.653 57.545 58.200 -0.003 0.000 1.050 227 S CB 1.349 64.548 63.200 -0.001 0.000 0.937 227 S HN 0.505 nan 8.310 nan 0.000 0.490 228 V N 4.077 123.991 119.914 0.001 0.000 2.317 228 V HA -0.241 3.879 4.120 -0.000 0.000 0.251 228 V C 2.266 178.362 176.094 0.004 0.000 1.065 228 V CA 2.185 64.487 62.300 0.002 0.000 1.049 228 V CB -1.762 30.066 31.823 0.008 0.000 0.651 228 V HN 0.893 nan 8.190 nan 0.000 0.450 229 A N 0.563 123.386 122.820 0.006 0.000 1.870 229 A HA -0.370 3.950 4.320 -0.000 0.000 0.219 229 A C 2.205 179.792 177.584 0.004 0.000 1.224 229 A CA 2.917 54.958 52.037 0.006 0.000 0.650 229 A CB -0.939 18.065 19.000 0.007 0.000 0.836 229 A HN 0.698 nan 8.150 nan 0.000 0.454 230 E N -1.145 119.057 120.200 0.003 0.000 2.435 230 E HA 0.015 4.365 4.350 -0.000 0.000 0.195 230 E C 1.600 178.201 176.600 0.002 0.000 1.029 230 E CA 0.429 56.831 56.400 0.003 0.000 0.865 230 E CB -0.152 29.551 29.700 0.005 0.000 0.833 230 E HN 0.443 nan 8.360 nan 0.000 0.510 231 L N 0.141 121.364 121.223 0.000 0.000 2.109 231 L HA 0.124 4.464 4.340 -0.000 0.000 0.207 231 L C 2.057 178.925 176.870 -0.003 0.000 1.086 231 L CA 1.932 56.770 54.840 -0.003 0.000 0.760 231 L CB -1.071 40.984 42.059 -0.006 0.000 0.910 231 L HN 0.120 nan 8.230 nan 0.000 0.437 232 A N -0.938 121.881 122.820 -0.002 0.000 2.009 232 A HA -0.311 4.009 4.320 -0.000 0.000 0.222 232 A C 2.202 179.785 177.584 -0.003 0.000 1.175 232 A CA 2.489 54.525 52.037 -0.001 0.000 0.651 232 A CB -1.470 17.531 19.000 0.001 0.000 0.815 232 A HN 0.647 nan 8.150 nan 0.000 0.459 233 T N -3.729 110.824 114.554 -0.002 0.000 3.188 233 T HA 0.518 4.867 4.350 -0.000 0.000 0.250 233 T C 1.313 176.011 174.700 -0.004 0.000 1.077 233 T CA 0.871 62.970 62.100 -0.002 0.000 0.967 233 T CB 0.022 68.889 68.868 -0.001 0.000 1.006 233 T HN 0.539 nan 8.240 nan 0.000 0.552 234 A N 0.941 123.758 122.820 -0.005 0.000 2.168 234 A HA 0.398 4.718 4.320 -0.000 0.000 0.215 234 A C 2.418 179.996 177.584 -0.010 0.000 1.152 234 A CA 0.910 52.943 52.037 -0.007 0.000 0.716 234 A CB -1.258 17.737 19.000 -0.007 0.000 0.794 234 A HN 0.601 nan 8.150 nan 0.000 0.465 235 G N 0.249 109.043 108.800 -0.010 0.000 2.491 235 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 235 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 235 G C 0.954 175.847 174.900 -0.012 0.000 1.180 235 G CA 0.930 46.023 45.100 -0.011 0.000 0.774 235 G HN 0.726 nan 8.290 nan 0.000 0.562 236 Q N 0.192 119.986 119.800 -0.010 0.000 2.271 236 Q HA 0.538 4.878 4.340 -0.000 0.000 0.258 236 Q C -1.293 174.699 176.000 -0.012 0.000 0.936 236 Q CA -0.355 55.441 55.803 -0.011 0.000 0.909 236 Q CB 1.805 30.537 28.738 -0.009 0.000 1.253 236 Q HN 0.412 nan 8.270 nan 0.000 0.440 237 S N 0.116 115.807 115.700 -0.015 0.000 2.756 237 S HA 0.075 4.545 4.470 -0.000 0.000 0.295 237 S C 0.331 174.916 174.600 -0.024 0.000 0.945 237 S CA -0.418 57.772 58.200 -0.018 0.000 0.838 237 S CB 0.120 63.310 63.200 -0.017 0.000 1.042 237 S HN 0.294 nan 8.310 nan 0.000 0.467 238 V N 0.989 120.886 119.914 -0.028 0.000 2.219 238 V HA 0.087 4.207 4.120 -0.000 0.000 0.248 238 V C 1.496 177.565 176.094 -0.042 0.000 1.053 238 V CA 2.656 64.935 62.300 -0.035 0.000 1.009 238 V CB -0.996 30.803 31.823 -0.040 0.000 0.636 238 V HN 1.357 nan 8.190 nan 0.000 0.445 239 A N -1.102 121.687 122.820 -0.051 0.000 2.530 239 A HA 0.726 5.046 4.320 -0.000 0.000 0.288 239 A C -0.305 177.249 177.584 -0.049 0.000 1.172 239 A CA 0.182 52.185 52.037 -0.056 0.000 0.733 239 A CB 1.719 20.674 19.000 -0.075 0.000 1.320 239 A HN 0.383 nan 8.150 nan 0.000 0.419 240 T N -0.404 114.123 114.554 -0.045 0.000 2.812 240 T HA 0.661 5.011 4.350 -0.000 0.000 0.282 240 T C -0.679 174.005 174.700 -0.026 0.000 0.990 240 T CA -0.408 61.674 62.100 -0.030 0.000 0.960 240 T CB 0.473 69.327 68.868 -0.023 0.000 0.948 240 T HN 0.495 nan 8.240 nan 0.000 0.438 241 L N 3.154 124.378 121.223 0.000 0.000 2.289 241 L HA 0.594 4.934 4.340 -0.000 0.000 0.285 241 L C -0.387 176.532 176.870 0.082 0.000 1.049 241 L CA -1.221 53.646 54.840 0.045 0.000 0.804 241 L CB 1.614 43.729 42.059 0.094 0.000 1.195 241 L HN 0.486 nan 8.230 nan 0.000 0.428 242 V N 4.664 124.621 119.914 0.071 0.000 2.328 242 V HA 0.232 4.352 4.120 -0.000 0.000 0.278 242 V C 0.091 176.253 176.094 0.112 0.000 1.021 242 V CA -0.559 61.781 62.300 0.067 0.000 0.838 242 V CB 1.696 33.522 31.823 0.006 0.000 0.999 242 V HN 0.424 nan 8.190 nan 0.000 0.447 243 V N 4.735 124.714 119.914 0.108 0.000 2.288 243 V HA 0.814 4.934 4.120 -0.000 0.000 0.266 243 V C 0.647 176.772 176.094 0.052 0.000 1.048 243 V CA 0.330 62.671 62.300 0.068 0.000 0.842 243 V CB 0.590 32.419 31.823 0.011 0.000 1.064 243 V HN 1.215 nan 8.190 nan 0.000 0.472 244 G N 3.957 112.796 108.800 0.066 0.000 3.444 244 G HA2 -0.126 3.833 3.960 -0.000 0.000 0.685 244 G HA3 -0.126 3.833 3.960 -0.000 0.000 0.685 244 G C -0.001 174.972 174.900 0.122 0.000 1.145 244 G CA 0.029 45.157 45.100 0.047 0.000 0.973 244 G HN 0.626 nan 8.290 nan 0.000 0.525 245 Q N 1.344 121.221 119.800 0.128 0.000 2.248 245 Q HA -0.169 4.170 4.340 -0.000 0.000 0.208 245 Q C 2.777 178.857 176.000 0.134 0.000 0.984 245 Q CA 2.511 58.435 55.803 0.201 0.000 0.875 245 Q CB -0.085 28.718 28.738 0.110 0.000 0.910 245 Q HN 1.357 nan 8.270 nan 0.000 0.433 246 S N -0.517 115.240 115.700 0.095 0.000 2.462 246 S HA -0.131 4.339 4.470 -0.000 0.000 0.243 246 S C 1.400 176.053 174.600 0.088 0.000 1.003 246 S CA 0.787 59.042 58.200 0.091 0.000 0.970 246 S CB -0.182 63.082 63.200 0.108 0.000 0.762 246 S HN 0.485 nan 8.310 nan 0.000 0.510 247 L N 0.533 121.813 121.223 0.095 0.000 2.685 247 L HA 0.373 4.712 4.340 -0.000 0.000 0.233 247 L C 2.432 179.327 176.870 0.041 0.000 1.173 247 L CA 0.323 55.201 54.840 0.064 0.000 0.961 247 L CB -0.481 41.621 42.059 0.072 0.000 1.217 247 L HN 0.429 nan 8.230 nan 0.000 0.478 248 A N 0.601 123.454 122.820 0.055 0.000 1.877 248 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 248 A C 2.309 179.896 177.584 0.004 0.000 1.186 248 A CA 1.710 53.764 52.037 0.029 0.000 0.620 248 A CB -0.881 18.153 19.000 0.056 0.000 0.822 248 A HN 0.430 nan 8.150 nan 0.000 0.443 249 G N -0.930 107.874 108.800 0.007 0.000 2.501 249 G HA2 0.042 4.002 3.960 -0.000 0.000 0.220 249 G HA3 0.042 4.002 3.960 -0.000 0.000 0.220 249 G C 1.451 176.339 174.900 -0.020 0.000 1.114 249 G CA 1.371 46.466 45.100 -0.008 0.000 0.757 249 G HN 0.806 nan 8.290 nan 0.000 0.559 250 A N 0.549 123.356 122.820 -0.021 0.000 1.997 250 A HA 0.593 4.913 4.320 -0.000 0.000 0.212 250 A C 2.681 180.247 177.584 -0.030 0.000 1.178 250 A CA 1.417 53.433 52.037 -0.034 0.000 0.698 250 A CB -0.410 18.562 19.000 -0.046 0.000 0.842 250 A HN 0.571 nan 8.150 nan 0.000 0.458 251 A N 0.544 123.350 122.820 -0.024 0.000 1.972 251 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 251 A C 1.660 179.222 177.584 -0.036 0.000 1.169 251 A CA 1.782 53.800 52.037 -0.031 0.000 0.635 251 A CB -0.444 18.530 19.000 -0.042 0.000 0.810 251 A HN 0.463 nan 8.150 nan 0.000 0.446 252 D N 0.332 120.713 120.400 -0.032 0.000 2.097 252 D HA -0.041 4.599 4.640 -0.000 0.000 0.197 252 D C 2.289 178.572 176.300 -0.029 0.000 0.984 252 D CA 1.505 55.486 54.000 -0.031 0.000 0.826 252 D CB -0.562 40.223 40.800 -0.025 0.000 0.973 252 D HN 0.414 nan 8.370 nan 0.000 0.460 253 A N 2.161 124.964 122.820 -0.029 0.000 1.845 253 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 253 A C 2.177 179.743 177.584 -0.029 0.000 1.195 253 A CA 0.982 53.002 52.037 -0.030 0.000 0.616 253 A CB -0.943 18.037 19.000 -0.034 0.000 0.832 253 A HN 0.252 nan 8.150 nan 0.000 0.443 254 L N -0.211 120.993 121.223 -0.031 0.000 2.021 254 L HA -0.245 4.095 4.340 -0.000 0.000 0.215 254 L C 2.534 179.388 176.870 -0.027 0.000 1.074 254 L CA 2.930 57.753 54.840 -0.028 0.000 0.760 254 L CB -1.281 40.761 42.059 -0.028 0.000 0.889 254 L HN 0.417 nan 8.230 nan 0.000 0.433 255 A N -0.619 122.183 122.820 -0.030 0.000 1.929 255 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 255 A C 1.957 179.525 177.584 -0.028 0.000 1.176 255 A CA 1.084 53.102 52.037 -0.031 0.000 0.628 255 A CB -0.292 18.686 19.000 -0.037 0.000 0.816 255 A HN 0.566 nan 8.150 nan 0.000 0.444 256 E N 0.655 120.840 120.200 -0.026 0.000 2.047 256 E HA -0.189 4.160 4.350 -0.000 0.000 0.191 256 E C 2.194 178.781 176.600 -0.021 0.000 0.987 256 E CA 1.475 57.861 56.400 -0.023 0.000 0.799 256 E CB -0.533 29.154 29.700 -0.022 0.000 0.752 256 E HN 0.843 nan 8.360 nan 0.000 0.449 257 R N 1.194 121.681 120.500 -0.021 0.000 2.115 257 R HA -0.006 4.333 4.340 -0.000 0.000 0.226 257 R C 1.614 177.903 176.300 -0.018 0.000 1.100 257 R CA 1.322 57.410 56.100 -0.019 0.000 0.980 257 R CB -0.795 29.494 30.300 -0.019 0.000 0.875 257 R HN 0.218 nan 8.270 nan 0.000 0.445 258 T N -3.348 111.195 114.554 -0.020 0.000 2.876 258 T HA 0.527 4.877 4.350 -0.000 0.000 0.277 258 T C 0.973 175.661 174.700 -0.020 0.000 0.997 258 T CA -0.344 61.745 62.100 -0.019 0.000 0.966 258 T CB 1.865 70.721 68.868 -0.019 0.000 1.312 258 T HN 0.119 nan 8.240 nan 0.000 0.598 259 G N -0.193 108.595 108.800 -0.021 0.000 3.228 259 G HA2 0.382 4.341 3.960 -0.000 0.000 0.245 259 G HA3 0.382 4.341 3.960 -0.000 0.000 0.245 259 G C 0.140 175.024 174.900 -0.026 0.000 1.051 259 G CA -0.249 44.837 45.100 -0.022 0.000 0.809 259 G HN 0.770 nan 8.290 nan 0.000 0.531 260 V N 2.614 122.513 119.914 -0.026 0.000 2.509 260 V HA 0.139 4.259 4.120 -0.000 0.000 0.297 260 V C -1.949 174.124 176.094 -0.035 0.000 1.014 260 V CA -1.090 61.192 62.300 -0.030 0.000 1.127 260 V CB 0.479 32.285 31.823 -0.028 0.000 0.925 260 V HN 0.117 nan 8.190 nan 0.000 0.480 261 P HA 0.265 nan 4.420 nan 0.000 0.287 261 P C -0.540 176.727 177.300 -0.055 0.000 1.294 261 P CA -0.366 62.707 63.100 -0.046 0.000 0.776 261 P CB 0.513 32.186 31.700 -0.045 0.000 0.889 262 D N 3.608 123.971 120.400 -0.061 0.000 2.341 262 D HA 0.171 4.810 4.640 -0.000 0.000 0.245 262 D C 0.084 176.332 176.300 -0.087 0.000 1.106 262 D CA 0.063 54.020 54.000 -0.071 0.000 0.905 262 D CB 1.439 42.189 40.800 -0.083 0.000 1.202 262 D HN 0.295 nan 8.370 nan 0.000 0.426 263 R N 1.192 121.642 120.500 -0.083 0.000 2.472 263 R HA 0.185 4.525 4.340 -0.000 0.000 0.294 263 R C -0.509 175.750 176.300 -0.068 0.000 1.243 263 R CA -0.603 55.445 56.100 -0.087 0.000 1.023 263 R CB 0.934 31.187 30.300 -0.079 0.000 1.157 263 R HN 0.490 nan 8.270 nan 0.000 0.530 264 R N 2.225 122.637 120.500 -0.147 0.000 2.758 264 R HA 0.658 4.998 4.340 -0.000 0.000 0.265 264 R C -0.547 175.762 176.300 0.016 0.000 1.016 264 R CA -0.585 55.440 56.100 -0.125 0.000 1.040 264 R CB 0.868 30.988 30.300 -0.299 0.000 1.152 264 R HN 0.260 nan 8.270 nan 0.000 0.503 265 F N -1.468 118.505 119.950 0.039 0.000 2.871 265 F HA 0.072 4.599 4.527 -0.000 0.000 0.286 265 F C 0.089 175.864 175.800 -0.041 0.000 1.154 265 F CA 0.253 58.254 58.000 0.002 0.000 0.899 265 F CB -0.942 38.059 39.000 0.001 0.000 3.249 265 F HN 0.805 nan 8.300 nan 0.000 0.188 266 G N 2.195 111.083 108.800 0.147 0.000 2.559 266 G HA2 0.327 4.287 3.960 -0.000 0.000 0.235 266 G HA3 0.327 4.287 3.960 -0.000 0.000 0.235 266 G C -0.015 174.765 174.900 -0.199 0.000 1.266 266 G CA -0.154 44.885 45.100 -0.102 0.000 0.847 266 G HN 0.361 nan 8.290 nan 0.000 0.583 267 M N 0.469 119.859 119.600 -0.351 0.000 2.248 267 M HA 0.023 4.502 4.480 -0.000 0.000 0.343 267 M C 0.786 176.693 176.300 -0.654 0.000 1.243 267 M CA 0.082 55.002 55.300 -0.633 0.000 1.025 267 M CB 0.200 32.197 32.600 -1.006 0.000 1.759 267 M HN 0.322 nan 8.290 nan 0.000 0.452 268 L N 6.709 127.589 121.223 -0.571 0.000 2.583 268 L HA 0.131 4.471 4.340 -0.000 0.000 0.239 268 L C -1.067 175.799 176.870 -0.007 0.000 1.347 268 L CA -0.360 54.291 54.840 -0.316 0.000 1.246 268 L CB -1.221 40.591 42.059 -0.411 0.000 1.496 268 L HN 0.446 nan 8.230 nan 0.000 0.413 269 Y N 0.468 120.644 120.300 -0.207 0.000 2.364 269 Y HA 0.756 5.306 4.550 -0.000 0.000 0.340 269 Y C 0.830 176.657 175.900 -0.123 0.000 0.975 269 Y CA -1.468 56.525 58.100 -0.178 0.000 1.089 269 Y CB 1.665 40.001 38.460 -0.207 0.000 1.192 269 Y HN 0.420 nan 8.280 nan 0.000 0.454 270 G N 1.570 110.403 108.800 0.055 0.000 2.661 270 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.685 270 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.685 270 G C 0.178 175.105 174.900 0.044 0.000 1.298 270 G CA -0.462 44.663 45.100 0.042 0.000 0.855 270 G HN 0.626 nan 8.290 nan 0.000 0.560 271 L N 0.117 121.392 121.223 0.087 0.000 1.932 271 L HA -0.086 4.254 4.340 -0.000 0.000 0.217 271 L C 2.852 179.784 176.870 0.103 0.000 1.077 271 L CA 2.311 57.241 54.840 0.149 0.000 0.765 271 L CB -0.664 41.472 42.059 0.129 0.000 0.888 271 L HN 0.766 nan 8.230 nan 0.000 0.433 272 D N 0.235 120.680 120.400 0.074 0.000 2.126 272 D HA -0.263 4.377 4.640 -0.000 0.000 0.190 272 D C 2.054 178.384 176.300 0.050 0.000 1.001 272 D CA 1.740 55.777 54.000 0.063 0.000 0.841 272 D CB -0.288 40.539 40.800 0.045 0.000 0.949 272 D HN 0.421 nan 8.370 nan 0.000 0.446 273 A N 0.811 123.644 122.820 0.022 0.000 1.917 273 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 273 A C 2.610 180.195 177.584 0.002 0.000 1.182 273 A CA 2.186 54.222 52.037 -0.000 0.000 0.633 273 A CB -0.711 18.263 19.000 -0.042 0.000 0.819 273 A HN 0.221 nan 8.150 nan 0.000 0.448 274 V N -0.288 119.587 119.914 -0.066 0.000 2.535 274 V HA -0.124 3.996 4.120 -0.000 0.000 0.246 274 V C 2.016 178.107 176.094 -0.005 0.000 1.045 274 V CA 1.537 63.750 62.300 -0.145 0.000 1.058 274 V CB -0.966 30.471 31.823 -0.645 0.000 0.689 274 V HN 0.382 nan 8.190 nan 0.000 0.461 275 D N 1.750 122.193 120.400 0.070 0.000 2.205 275 D HA -0.241 4.399 4.640 -0.000 0.000 0.190 275 D C 2.222 178.602 176.300 0.134 0.000 1.002 275 D CA 2.303 56.403 54.000 0.167 0.000 0.848 275 D CB -0.570 40.324 40.800 0.158 0.000 0.975 275 D HN 0.417 nan 8.370 nan 0.000 0.449 276 A N -0.553 122.335 122.820 0.114 0.000 2.024 276 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 276 A C 2.078 179.738 177.584 0.127 0.000 1.164 276 A CA 1.365 53.464 52.037 0.103 0.000 0.643 276 A CB -1.029 18.031 19.000 0.100 0.000 0.806 276 A HN 0.402 nan 8.150 nan 0.000 0.451 277 W N 0.328 121.600 121.300 -0.048 0.000 2.409 277 W HA -0.035 4.625 4.660 -0.000 0.000 0.299 277 W C 1.896 178.337 176.519 -0.130 0.000 1.203 277 W CA 1.539 58.833 57.345 -0.084 0.000 1.298 277 W CB -0.305 29.105 29.460 -0.082 0.000 1.127 277 W HN 0.262 nan 8.180 nan 0.000 0.528 278 L N -0.585 120.675 121.223 0.062 0.000 2.044 278 L HA -0.269 4.071 4.340 -0.000 0.000 0.205 278 L C 2.480 179.277 176.870 -0.121 0.000 1.075 278 L CA 0.866 55.679 54.840 -0.045 0.000 0.747 278 L CB -1.119 41.086 42.059 0.244 0.000 0.903 278 L HN -0.070 nan 8.230 nan 0.000 0.435 279 M N 0.387 119.984 119.600 -0.005 0.000 2.151 279 M HA -0.282 4.198 4.480 -0.000 0.000 0.256 279 M C 2.540 178.758 176.300 -0.136 0.000 1.072 279 M CA 2.361 57.645 55.300 -0.025 0.000 1.090 279 M CB -1.671 30.938 32.600 0.016 0.000 1.294 279 M HN 0.327 nan 8.290 nan 0.000 0.415 280 A N -0.748 121.959 122.820 -0.188 0.000 2.076 280 A HA -0.112 4.207 4.320 -0.000 0.000 0.220 280 A C 2.401 179.752 177.584 -0.387 0.000 1.160 280 A CA 1.306 53.197 52.037 -0.242 0.000 0.653 280 A CB -0.806 18.055 19.000 -0.231 0.000 0.801 280 A HN 0.510 nan 8.150 nan 0.000 0.455 281 L N -1.469 119.388 121.223 -0.610 0.000 2.162 281 L HA -0.046 4.294 4.340 -0.000 0.000 0.205 281 L C 3.006 179.446 176.870 -0.716 0.000 1.086 281 L CA 0.782 55.073 54.840 -0.914 0.000 0.778 281 L CB -0.346 40.744 42.059 -1.614 0.000 0.928 281 L HN 0.421 nan 8.230 nan 0.000 0.446 282 A N -0.356 122.234 122.820 -0.385 0.000 1.930 282 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 282 A C 2.189 179.777 177.584 0.006 0.000 1.175 282 A CA 1.653 53.732 52.037 0.069 0.000 0.627 282 A CB -0.346 18.770 19.000 0.194 0.000 0.815 282 A HN 0.428 nan 8.150 nan 0.000 0.443 283 E N -0.269 119.890 120.200 -0.069 0.000 2.028 283 E HA -0.122 4.227 4.350 -0.000 0.000 0.191 283 E C 1.832 178.390 176.600 -0.071 0.000 0.988 283 E CA 0.988 57.355 56.400 -0.056 0.000 0.799 283 E CB -0.207 29.452 29.700 -0.068 0.000 0.755 283 E HN 0.603 nan 8.360 nan 0.000 0.447 284 I N 0.250 120.743 120.570 -0.128 0.000 2.315 284 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 284 I C 2.166 178.238 176.117 -0.075 0.000 1.125 284 I CA 1.115 62.343 61.300 -0.121 0.000 1.392 284 I CB 0.033 37.920 38.000 -0.188 0.000 1.065 284 I HN 0.069 nan 8.210 nan 0.000 0.424 285 S N -1.207 114.464 115.700 -0.048 0.000 2.666 285 S HA 0.297 4.767 4.470 -0.000 0.000 0.239 285 S C 1.223 175.852 174.600 0.049 0.000 1.031 285 S CA 0.454 58.663 58.200 0.015 0.000 1.015 285 S CB 0.263 63.505 63.200 0.069 0.000 0.981 285 S HN 0.643 nan 8.310 nan 0.000 0.547 286 G N 2.903 111.726 108.800 0.040 0.000 3.639 286 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.224 286 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.224 286 G C 0.115 175.057 174.900 0.071 0.000 1.339 286 G CA 0.410 45.536 45.100 0.044 0.000 0.933 286 G HN 0.770 nan 8.290 nan 0.000 0.568 287 N N 2.924 121.676 118.700 0.086 0.000 2.307 287 N HA 0.367 5.107 4.740 -0.000 0.000 0.230 287 N C -2.384 173.199 175.510 0.122 0.000 1.297 287 N CA -0.248 52.849 53.050 0.078 0.000 0.884 287 N CB 0.573 39.091 38.487 0.051 0.000 1.115 287 N HN 0.450 nan 8.380 nan 0.000 0.436 288 P HA 0.095 nan 4.420 nan 0.000 0.284 288 P C -0.295 176.989 177.300 -0.027 0.000 1.287 288 P CA -0.625 62.514 63.100 0.066 0.000 0.824 288 P CB 0.815 32.530 31.700 0.025 0.000 1.180 289 V N -2.389 117.572 119.914 0.079 0.000 2.458 289 V HA 0.161 4.281 4.120 -0.000 0.000 0.287 289 V C -2.263 173.787 176.094 -0.074 0.000 1.009 289 V CA -1.560 60.771 62.300 0.052 0.000 1.091 289 V CB -1.297 30.687 31.823 0.269 0.000 0.960 289 V HN 0.416 nan 8.190 nan 0.000 0.476 290 P HA 0.055 nan 4.420 nan 0.000 0.266 290 P C 0.491 177.728 177.300 -0.106 0.000 1.186 290 P CA 0.121 63.106 63.100 -0.192 0.000 0.767 290 P CB 0.489 32.041 31.700 -0.247 0.000 0.820 291 D N 1.931 122.267 120.400 -0.107 0.000 2.228 291 D HA -0.162 4.478 4.640 -0.000 0.000 0.203 291 D C 1.812 178.046 176.300 -0.110 0.000 0.988 291 D CA 1.285 55.237 54.000 -0.079 0.000 0.864 291 D CB -0.116 40.643 40.800 -0.069 0.000 0.928 291 D HN 0.420 nan 8.370 nan 0.000 0.469 292 R N -0.076 120.295 120.500 -0.214 0.000 2.082 292 R HA -0.169 4.171 4.340 -0.000 0.000 0.234 292 R C 2.240 178.396 176.300 -0.239 0.000 1.136 292 R CA 1.216 57.135 56.100 -0.302 0.000 0.935 292 R CB -0.608 29.385 30.300 -0.511 0.000 0.842 292 R HN 0.318 nan 8.270 nan 0.000 0.430 293 Y N 1.270 121.633 120.300 0.105 0.000 2.571 293 Y HA -0.015 4.535 4.550 -0.000 0.000 0.294 293 Y C 2.025 177.958 175.900 0.055 0.000 1.141 293 Y CA 0.484 58.699 58.100 0.191 0.000 1.308 293 Y CB -0.167 38.522 38.460 0.382 0.000 1.002 293 Y HN -0.062 nan 8.280 nan 0.000 0.551 294 K N 0.294 120.752 120.400 0.097 0.000 2.217 294 K HA -0.105 4.215 4.320 -0.000 0.000 0.202 294 K C 2.109 178.678 176.600 -0.052 0.000 1.051 294 K CA 0.828 57.128 56.287 0.023 0.000 0.952 294 K CB -0.081 32.429 32.500 0.017 0.000 0.736 294 K HN 0.346 nan 8.250 nan 0.000 0.453 295 R N 1.545 122.014 120.500 -0.053 0.000 2.066 295 R HA -0.040 4.300 4.340 -0.000 0.000 0.224 295 R C 2.168 178.411 176.300 -0.094 0.000 1.122 295 R CA 0.900 56.963 56.100 -0.061 0.000 0.974 295 R CB 0.095 30.367 30.300 -0.047 0.000 0.871 295 R HN 0.161 nan 8.270 nan 0.000 0.435 296 Q N 0.021 119.768 119.800 -0.089 0.000 2.124 296 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 296 Q C 2.186 177.950 176.000 -0.393 0.000 0.977 296 Q CA 1.579 57.320 55.803 -0.103 0.000 0.850 296 Q CB -0.166 28.652 28.738 0.134 0.000 0.901 296 Q HN 0.277 nan 8.270 nan 0.000 0.429 297 R N 0.354 120.384 120.500 -0.783 0.000 2.105 297 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 297 R C 2.097 178.204 176.300 -0.322 0.000 1.135 297 R CA 1.309 56.854 56.100 -0.925 0.000 0.967 297 R CB -0.181 29.691 30.300 -0.713 0.000 0.861 297 R HN 0.258 nan 8.270 nan 0.000 0.442 298 A N 0.218 122.920 122.820 -0.198 0.000 1.968 298 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 298 A C 1.957 179.506 177.584 -0.059 0.000 1.169 298 A CA 0.985 52.968 52.037 -0.091 0.000 0.638 298 A CB -0.246 18.719 19.000 -0.059 0.000 0.812 298 A HN 0.434 nan 8.150 nan 0.000 0.446 299 Q N -0.973 118.788 119.800 -0.064 0.000 2.046 299 Q HA -0.153 4.187 4.340 -0.000 0.000 0.200 299 Q C 2.102 178.096 176.000 -0.011 0.000 0.975 299 Q CA 1.413 57.210 55.803 -0.010 0.000 0.836 299 Q CB -0.378 28.366 28.738 0.011 0.000 0.896 299 Q HN 0.568 nan 8.270 nan 0.000 0.428 300 L N 1.310 122.506 121.223 -0.045 0.000 2.012 300 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 300 L C 2.056 178.915 176.870 -0.019 0.000 1.073 300 L CA 1.910 56.735 54.840 -0.024 0.000 0.748 300 L CB -0.671 41.429 42.059 0.069 0.000 0.891 300 L HN 0.188 nan 8.230 nan 0.000 0.431 301 Q N -0.918 118.870 119.800 -0.020 0.000 2.181 301 Q HA -0.269 4.071 4.340 -0.000 0.000 0.205 301 Q C 1.906 177.911 176.000 0.007 0.000 0.980 301 Q CA 1.921 57.721 55.803 -0.006 0.000 0.862 301 Q CB -0.231 28.500 28.738 -0.011 0.000 0.905 301 Q HN 0.679 nan 8.270 nan 0.000 0.429 302 D N -0.182 120.229 120.400 0.019 0.000 2.149 302 D HA -0.065 4.575 4.640 -0.000 0.000 0.201 302 D C 1.701 178.053 176.300 0.085 0.000 0.972 302 D CA 1.052 55.084 54.000 0.053 0.000 0.835 302 D CB 0.011 40.849 40.800 0.063 0.000 0.966 302 D HN 0.232 nan 8.370 nan 0.000 0.476 303 A N -0.180 122.679 122.820 0.066 0.000 2.070 303 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 303 A C 2.131 179.728 177.584 0.022 0.000 1.159 303 A CA 1.163 53.231 52.037 0.052 0.000 0.656 303 A CB -0.555 18.306 19.000 -0.232 0.000 0.800 303 A HN 0.320 nan 8.150 nan 0.000 0.453 304 M N -1.026 118.579 119.600 0.008 0.000 2.236 304 M HA 0.069 4.549 4.480 -0.000 0.000 0.266 304 M C 1.941 178.268 176.300 0.045 0.000 1.070 304 M CA 0.945 56.251 55.300 0.010 0.000 1.137 304 M CB -0.323 32.272 32.600 -0.008 0.000 1.378 304 M HN 0.314 nan 8.290 nan 0.000 0.426 305 L N 0.097 121.351 121.223 0.052 0.000 2.093 305 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 305 L C 1.774 178.726 176.870 0.137 0.000 1.085 305 L CA 0.932 55.821 54.840 0.082 0.000 0.755 305 L CB -0.643 41.452 42.059 0.061 0.000 0.904 305 L HN 0.265 nan 8.230 nan 0.000 0.435 306 D N -0.951 119.551 120.400 0.169 0.000 2.183 306 D HA -0.111 4.529 4.640 -0.000 0.000 0.203 306 D C 2.066 178.516 176.300 0.250 0.000 0.969 306 D CA 1.720 55.874 54.000 0.257 0.000 0.842 306 D CB -0.027 40.917 40.800 0.240 0.000 0.957 306 D HN 0.374 nan 8.370 nan 0.000 0.484 307 T N -2.112 112.533 114.554 0.152 0.000 3.069 307 T HA -0.007 4.343 4.350 -0.000 0.000 0.252 307 T C 1.629 176.344 174.700 0.026 0.000 1.053 307 T CA 0.225 62.398 62.100 0.121 0.000 0.964 307 T CB -0.302 68.633 68.868 0.111 0.000 1.005 307 T HN 0.250 nan 8.240 nan 0.000 0.532 308 H N 0.917 119.922 119.070 -0.108 0.000 2.387 308 H HA 0.052 4.608 4.556 -0.000 0.000 0.299 308 H C 1.484 176.699 175.328 -0.188 0.000 1.090 308 H CA 1.208 57.132 56.048 -0.207 0.000 1.332 308 H CB -1.038 28.530 29.762 -0.323 0.000 1.386 308 H HN 0.361 nan 8.280 nan 0.000 0.516 309 F N 1.468 120.961 119.950 -0.761 0.000 2.065 309 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 309 F C 2.774 178.464 175.800 -0.184 0.000 1.112 309 F CA 1.873 59.587 58.000 -0.476 0.000 1.212 309 F CB -0.561 38.209 39.000 -0.384 0.000 0.975 309 F HN 0.292 nan 8.300 nan 0.000 0.476 310 M N -0.371 119.279 119.600 0.084 0.000 2.193 310 M HA -0.010 4.470 4.480 -0.000 0.000 0.265 310 M C 2.038 178.352 176.300 0.024 0.000 1.071 310 M CA 1.854 57.175 55.300 0.036 0.000 1.140 310 M CB -1.547 31.071 32.600 0.029 0.000 1.369 310 M HN 0.264 nan 8.290 nan 0.000 0.423 311 L N 0.708 121.944 121.223 0.022 0.000 2.209 311 L HA 0.098 4.438 4.340 -0.000 0.000 0.207 311 L C 1.579 178.450 176.870 0.002 0.000 1.094 311 L CA -0.007 54.840 54.840 0.012 0.000 0.790 311 L CB -0.509 41.556 42.059 0.009 0.000 0.932 311 L HN 0.286 nan 8.230 nan 0.000 0.447 312 S N 0.108 115.818 115.700 0.016 0.000 2.714 312 S HA -0.028 4.442 4.470 -0.000 0.000 0.318 312 S C 1.107 175.713 174.600 0.010 0.000 1.219 312 S CA 0.745 58.951 58.200 0.010 0.000 1.175 312 S CB -0.162 63.081 63.200 0.072 0.000 0.961 312 S HN 0.404 nan 8.310 nan 0.000 0.518 313 S N 1.827 117.499 115.700 -0.046 0.000 2.709 313 S HA -0.169 4.301 4.470 -0.000 0.000 0.267 313 S C 0.287 174.954 174.600 0.111 0.000 1.341 313 S CA 0.397 58.619 58.200 0.037 0.000 1.165 313 S CB -2.062 61.212 63.200 0.123 0.000 1.432 313 S HN 1.679 nan 8.310 nan 0.000 0.678 314 A N 1.092 123.938 122.820 0.043 0.000 2.546 314 A HA 0.507 4.827 4.320 -0.000 0.000 0.243 314 A C 0.416 178.052 177.584 0.088 0.000 1.063 314 A CA 0.546 52.617 52.037 0.056 0.000 0.757 314 A CB 0.091 19.105 19.000 0.023 0.000 0.991 314 A HN 0.504 nan 8.150 nan 0.000 0.503 315 R N 1.635 122.189 120.500 0.089 0.000 2.316 315 R HA 0.411 4.751 4.340 -0.000 0.000 0.314 315 R C 0.539 176.861 176.300 0.037 0.000 1.069 315 R CA 0.725 56.873 56.100 0.080 0.000 0.959 315 R CB 0.704 31.040 30.300 0.060 0.000 0.987 315 R HN 0.849 nan 8.270 nan 0.000 0.446 316 T N -0.793 113.780 114.554 0.031 0.000 2.942 316 T HA 0.848 5.198 4.350 -0.000 0.000 0.289 316 T C -0.589 174.106 174.700 -0.007 0.000 1.044 316 T CA -1.058 61.039 62.100 -0.005 0.000 1.023 316 T CB 2.175 71.033 68.868 -0.017 0.000 1.123 316 T HN 0.469 nan 8.240 nan 0.000 0.512 317 A N 1.829 124.629 122.820 -0.034 0.000 2.402 317 A HA 0.743 5.063 4.320 -0.000 0.000 0.291 317 A C -0.818 176.732 177.584 -0.057 0.000 1.051 317 A CA -0.906 51.112 52.037 -0.031 0.000 0.716 317 A CB 0.815 19.798 19.000 -0.028 0.000 1.223 317 A HN 0.887 nan 8.150 nan 0.000 0.425 318 I N 1.698 122.241 120.570 -0.045 0.000 2.509 318 I HA 0.640 4.810 4.170 -0.000 0.000 0.293 318 I C 0.266 176.361 176.117 -0.037 0.000 1.020 318 I CA -0.691 60.569 61.300 -0.066 0.000 1.088 318 I CB 2.266 40.237 38.000 -0.047 0.000 1.267 318 I HN 0.731 nan 8.210 nan 0.000 0.430 319 A N 5.335 128.128 122.820 -0.047 0.000 2.646 319 A HA 0.886 5.206 4.320 -0.000 0.000 0.312 319 A C -0.540 177.037 177.584 -0.011 0.000 1.245 319 A CA -0.308 51.717 52.037 -0.021 0.000 0.755 319 A CB 0.799 19.785 19.000 -0.022 0.000 1.132 319 A HN 0.867 nan 8.150 nan 0.000 0.458 320 A N 1.752 124.579 122.820 0.013 0.000 2.610 320 A HA 0.704 5.024 4.320 -0.000 0.000 0.291 320 A C -1.257 176.356 177.584 0.048 0.000 1.086 320 A CA -0.754 51.302 52.037 0.032 0.000 0.677 320 A CB 0.646 19.680 19.000 0.056 0.000 1.278 320 A HN 0.514 nan 8.150 nan 0.000 0.414 321 D N 1.109 121.546 120.400 0.060 0.000 2.390 321 D HA 0.229 4.869 4.640 -0.000 0.000 0.236 321 D C -1.478 174.856 176.300 0.056 0.000 1.189 321 D CA -0.927 53.117 54.000 0.072 0.000 0.887 321 D CB 0.424 41.288 40.800 0.107 0.000 1.198 321 D HN 0.152 nan 8.370 nan 0.000 0.444 322 P HA -0.140 nan 4.420 nan 0.000 0.215 322 P C 0.780 178.084 177.300 0.006 0.000 1.153 322 P CA 1.140 64.256 63.100 0.028 0.000 0.853 322 P CB 0.335 32.050 31.700 0.026 0.000 0.788 323 D N -0.437 119.964 120.400 0.002 0.000 2.088 323 D HA -0.131 4.509 4.640 -0.000 0.000 0.191 323 D C 2.130 178.380 176.300 -0.082 0.000 0.992 323 D CA 1.134 55.104 54.000 -0.050 0.000 0.831 323 D CB -0.933 39.842 40.800 -0.041 0.000 0.973 323 D HN 0.115 nan 8.370 nan 0.000 0.447 324 L N 0.786 121.982 121.223 -0.046 0.000 2.089 324 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 324 L C 2.681 179.635 176.870 0.139 0.000 1.079 324 L CA 0.658 55.496 54.840 -0.004 0.000 0.758 324 L CB -0.419 41.705 42.059 0.108 0.000 0.891 324 L HN 0.109 nan 8.230 nan 0.000 0.433 325 L N -0.313 120.977 121.223 0.110 0.000 1.970 325 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 325 L C 2.536 179.461 176.870 0.091 0.000 1.071 325 L CA 1.607 56.521 54.840 0.122 0.000 0.751 325 L CB -0.179 41.917 42.059 0.061 0.000 0.889 325 L HN 0.238 nan 8.230 nan 0.000 0.432 326 L N -0.747 120.480 121.223 0.007 0.000 2.131 326 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 326 L C 2.608 179.443 176.870 -0.058 0.000 1.092 326 L CA 1.309 56.127 54.840 -0.038 0.000 0.759 326 L CB -1.384 40.617 42.059 -0.096 0.000 0.903 326 L HN 0.430 nan 8.230 nan 0.000 0.435 327 G N -0.367 108.359 108.800 -0.123 0.000 2.402 327 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 327 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 327 G C 1.343 176.295 174.900 0.087 0.000 1.162 327 G CA 0.341 45.313 45.100 -0.212 0.000 0.777 327 G HN 0.187 nan 8.290 nan 0.000 0.539 328 F N 0.844 120.899 119.950 0.175 0.000 2.335 328 F HA 0.115 4.642 4.527 -0.000 0.000 0.296 328 F C 2.236 178.072 175.800 0.060 0.000 1.091 328 F CA 0.825 58.902 58.000 0.129 0.000 1.399 328 F CB -0.069 38.962 39.000 0.052 0.000 1.067 328 F HN 0.132 nan 8.300 nan 0.000 0.520 329 D N 0.313 120.834 120.400 0.202 0.000 2.097 329 D HA -0.156 4.484 4.640 -0.000 0.000 0.195 329 D C 2.253 178.600 176.300 0.077 0.000 0.989 329 D CA 1.469 55.537 54.000 0.112 0.000 0.827 329 D CB -0.277 40.564 40.800 0.068 0.000 0.966 329 D HN 0.125 nan 8.370 nan 0.000 0.456 330 A N 1.401 124.256 122.820 0.058 0.000 1.851 330 A HA -0.131 4.188 4.320 -0.000 0.000 0.216 330 A C 2.411 180.027 177.584 0.052 0.000 1.195 330 A CA 1.564 53.621 52.037 0.034 0.000 0.622 330 A CB -1.170 17.831 19.000 0.001 0.000 0.831 330 A HN 0.428 nan 8.150 nan 0.000 0.444 331 L N -0.177 121.101 121.223 0.090 0.000 1.978 331 L HA -0.225 4.114 4.340 -0.000 0.000 0.218 331 L C 2.467 179.372 176.870 0.058 0.000 1.075 331 L CA 2.419 57.308 54.840 0.081 0.000 0.767 331 L CB -0.848 41.273 42.059 0.102 0.000 0.890 331 L HN 0.491 nan 8.230 nan 0.000 0.434 332 L N -0.366 120.904 121.223 0.078 0.000 2.083 332 L HA -0.243 4.097 4.340 -0.000 0.000 0.209 332 L C 2.861 179.730 176.870 -0.001 0.000 1.083 332 L CA 1.479 56.343 54.840 0.040 0.000 0.752 332 L CB -0.541 41.549 42.059 0.051 0.000 0.899 332 L HN 0.369 nan 8.230 nan 0.000 0.433 333 R N 0.119 120.623 120.500 0.006 0.000 2.189 333 R HA -0.134 4.206 4.340 -0.000 0.000 0.223 333 R C 2.327 178.613 176.300 -0.024 0.000 1.092 333 R CA 1.328 57.417 56.100 -0.019 0.000 0.989 333 R CB -0.057 30.244 30.300 0.001 0.000 0.876 333 R HN 0.405 nan 8.270 nan 0.000 0.457 334 S N -0.817 114.879 115.700 -0.008 0.000 2.603 334 S HA -0.007 4.463 4.470 -0.000 0.000 0.229 334 S C 1.503 176.089 174.600 -0.022 0.000 0.972 334 S CA 0.386 58.581 58.200 -0.009 0.000 0.935 334 S CB 0.274 63.478 63.200 0.007 0.000 0.769 334 S HN 0.239 nan 8.310 nan 0.000 0.536 335 M N -0.081 119.500 119.600 -0.032 0.000 2.331 335 M HA 0.330 4.810 4.480 -0.000 0.000 0.266 335 M C 1.567 177.829 176.300 -0.063 0.000 1.055 335 M CA 0.866 56.144 55.300 -0.036 0.000 1.048 335 M CB -0.028 32.559 32.600 -0.021 0.000 1.460 335 M HN 0.597 nan 8.290 nan 0.000 0.519 336 G N 1.154 109.891 108.800 -0.105 0.000 2.159 336 G HA2 -0.139 3.820 3.960 -0.000 0.000 0.227 336 G HA3 -0.139 3.820 3.960 -0.000 0.000 0.227 336 G C 0.269 174.979 174.900 -0.317 0.000 0.986 336 G CA 0.166 45.159 45.100 -0.177 0.000 0.651 336 G HN 0.711 nan 8.290 nan 0.000 0.523 337 A N 1.065 123.754 122.820 -0.218 0.000 2.363 337 A HA 0.641 4.961 4.320 -0.000 0.000 0.270 337 A C 0.190 177.620 177.584 -0.256 0.000 1.121 337 A CA -0.287 51.631 52.037 -0.199 0.000 0.800 337 A CB 0.216 19.175 19.000 -0.068 0.000 1.052 337 A HN 0.432 nan 8.150 nan 0.000 0.493 338 H N 1.545 120.626 119.070 0.018 0.000 2.517 338 H HA 0.300 4.855 4.556 -0.000 0.000 0.317 338 H C 0.287 175.623 175.328 0.013 0.000 1.080 338 H CA 0.288 56.346 56.048 0.016 0.000 1.301 338 H CB 1.411 31.182 29.762 0.015 0.000 1.425 338 H HN 0.670 nan 8.280 nan 0.000 0.471 339 T N 1.183 115.811 114.554 0.123 0.000 2.747 339 T HA 0.174 4.524 4.350 -0.000 0.000 0.301 339 T C 0.972 175.714 174.700 0.069 0.000 0.952 339 T CA -0.621 61.523 62.100 0.075 0.000 0.983 339 T CB -0.146 68.753 68.868 0.053 0.000 0.930 339 T HN 0.279 nan 8.240 nan 0.000 0.494 340 V N 3.372 123.319 119.914 0.055 0.000 3.623 340 V HA 0.497 4.617 4.120 -0.000 0.000 0.271 340 V C 1.061 177.167 176.094 0.020 0.000 1.248 340 V CA 0.705 63.026 62.300 0.034 0.000 1.156 340 V CB -1.083 30.758 31.823 0.030 0.000 0.870 340 V HN 1.171 nan 8.190 nan 0.000 0.453 341 A N 0.152 122.983 122.820 0.019 0.000 2.498 341 A HA 0.742 5.061 4.320 -0.000 0.000 0.305 341 A C -0.726 176.863 177.584 0.008 0.000 1.031 341 A CA 0.297 52.341 52.037 0.011 0.000 0.998 341 A CB 0.326 19.329 19.000 0.006 0.000 1.429 341 A HN 0.518 nan 8.150 nan 0.000 0.387 342 A N 1.684 124.511 122.820 0.012 0.000 2.343 342 A HA 0.798 5.118 4.320 -0.000 0.000 0.308 342 A C -0.906 176.685 177.584 0.012 0.000 1.092 342 A CA -0.550 51.495 52.037 0.013 0.000 0.751 342 A CB 1.394 20.407 19.000 0.021 0.000 1.203 342 A HN 1.565 nan 8.150 nan 0.000 0.452 343 V N 3.120 123.039 119.914 0.009 0.000 2.483 343 V HA 0.525 4.645 4.120 -0.000 0.000 0.297 343 V C -0.321 175.781 176.094 0.014 0.000 1.027 343 V CA -0.534 61.772 62.300 0.010 0.000 0.855 343 V CB 1.446 33.270 31.823 0.002 0.000 0.995 343 V HN 0.754 nan 8.190 nan 0.000 0.424 344 V N 7.014 126.939 119.914 0.018 0.000 2.994 344 V HA 0.544 4.664 4.120 -0.000 0.000 0.318 344 V C -1.553 174.556 176.094 0.025 0.000 1.085 344 V CA -1.742 60.572 62.300 0.024 0.000 0.998 344 V CB 3.185 35.024 31.823 0.026 0.000 1.063 344 V HN 0.737 nan 8.190 nan 0.000 0.447 345 P HA 0.186 nan 4.420 nan 0.000 0.221 345 P C -0.184 177.134 177.300 0.031 0.000 1.155 345 P CA 0.828 63.947 63.100 0.032 0.000 0.812 345 P CB 0.584 32.310 31.700 0.044 0.000 0.801 346 A N -1.630 121.210 122.820 0.033 0.000 2.601 346 A HA 0.481 4.800 4.320 -0.000 0.000 0.291 346 A C 0.938 178.539 177.584 0.029 0.000 1.075 346 A CA -0.508 51.547 52.037 0.031 0.000 0.671 346 A CB 0.512 19.532 19.000 0.033 0.000 1.277 346 A HN -0.150 nan 8.150 nan 0.000 0.417 347 R N 1.009 121.524 120.500 0.025 0.000 2.143 347 R HA 0.073 4.413 4.340 -0.000 0.000 0.239 347 R C 0.973 177.287 176.300 0.024 0.000 1.126 347 R CA 2.815 58.929 56.100 0.022 0.000 0.927 347 R CB -0.698 29.615 30.300 0.020 0.000 0.860 347 R HN 2.657 nan 8.270 nan 0.000 0.433 348 A N -2.108 120.728 122.820 0.026 0.000 2.443 348 A HA -0.036 4.284 4.320 -0.000 0.000 0.685 348 A C 0.962 178.560 177.584 0.025 0.000 0.261 348 A CA 0.508 52.562 52.037 0.029 0.000 0.268 348 A CB -1.594 17.426 19.000 0.034 0.000 3.947 348 A HN 0.932 nan 8.150 nan 0.000 0.548 349 A N 3.447 126.284 122.820 0.028 0.000 3.102 349 A HA 0.413 4.733 4.320 -0.000 0.000 0.189 349 A C 2.452 180.046 177.584 0.017 0.000 0.842 349 A CA 2.949 55.003 52.037 0.028 0.000 1.137 349 A CB -1.388 17.638 19.000 0.043 0.000 0.746 349 A HN 2.973 nan 8.150 nan 0.000 0.537 350 A N -2.203 120.622 122.820 0.007 0.000 2.352 350 A HA -0.039 4.281 4.320 -0.000 0.000 0.286 350 A C 0.466 178.044 177.584 -0.011 0.000 1.415 350 A CA 1.235 53.259 52.037 -0.021 0.000 0.784 350 A CB -2.463 16.519 19.000 -0.030 0.000 1.065 350 A HN 1.490 nan 8.150 nan 0.000 0.378 351 L N -3.209 118.015 121.223 0.001 0.000 2.598 351 L HA 0.661 5.001 4.340 -0.000 0.000 0.202 351 L C 1.994 178.863 176.870 -0.002 0.000 1.190 351 L CA 0.146 54.989 54.840 0.005 0.000 0.869 351 L CB -0.612 41.455 42.059 0.013 0.000 1.529 351 L HN 0.987 nan 8.230 nan 0.000 0.520 352 V N -0.501 119.415 119.914 0.003 0.000 1.705 352 V HA -0.457 3.662 4.120 -0.000 0.000 0.053 352 V C 0.768 176.861 176.094 -0.002 0.000 0.495 352 V CA 2.041 64.342 62.300 0.001 0.000 1.481 352 V CB -1.433 30.390 31.823 -0.000 0.000 1.731 352 V HN 1.043 nan 8.190 nan 0.000 0.795 353 D N -0.897 119.501 120.400 -0.004 0.000 2.946 353 D HA -0.243 4.397 4.640 -0.000 0.000 0.202 353 D C 0.579 176.871 176.300 -0.013 0.000 1.068 353 D CA 1.908 55.905 54.000 -0.004 0.000 1.011 353 D CB -1.627 39.175 40.800 0.003 0.000 1.105 353 D HN 2.196 nan 8.370 nan 0.000 0.425 354 S N -1.415 114.271 115.700 -0.024 0.000 3.701 354 S HA -0.188 4.282 4.470 -0.000 0.000 0.633 354 S C -2.237 172.355 174.600 -0.014 0.000 2.263 354 S CA 0.701 58.881 58.200 -0.033 0.000 2.658 354 S CB -1.506 61.670 63.200 -0.040 0.000 0.323 354 S HN 0.083 nan 8.310 nan 0.000 1.605 355 P HA 0.359 nan 4.420 nan 0.000 0.255 355 P C 0.198 177.507 177.300 0.014 0.000 1.248 355 P CA -0.050 63.052 63.100 0.004 0.000 0.807 355 P CB -0.208 31.496 31.700 0.007 0.000 1.150 356 L N 2.137 123.368 121.223 0.014 0.000 2.499 356 L HA 0.092 4.432 4.340 -0.000 0.000 0.273 356 L C -0.946 175.933 176.870 0.015 0.000 1.195 356 L CA -1.309 53.543 54.840 0.020 0.000 0.882 356 L CB -0.462 41.610 42.059 0.021 0.000 1.133 356 L HN -0.117 nan 8.230 nan 0.000 0.483 357 P HA -0.107 nan 4.420 nan 0.000 0.217 357 P C -0.226 177.080 177.300 0.010 0.000 1.148 357 P CA 1.053 64.160 63.100 0.012 0.000 0.828 357 P CB 0.328 32.033 31.700 0.010 0.000 0.783 358 S N -3.354 112.353 115.700 0.012 0.000 2.595 358 S HA 0.567 5.037 4.470 -0.000 0.000 0.270 358 S C -1.311 173.297 174.600 0.014 0.000 1.145 358 S CA -0.720 57.487 58.200 0.011 0.000 0.825 358 S CB 1.634 64.840 63.200 0.010 0.000 1.107 358 S HN 0.001 nan 8.310 nan 0.000 0.461 359 V N 0.253 120.175 119.914 0.013 0.000 3.120 359 V HA 0.766 4.886 4.120 -0.000 0.000 0.303 359 V C -1.749 174.354 176.094 0.015 0.000 1.238 359 V CA -0.775 61.534 62.300 0.015 0.000 1.008 359 V CB 2.200 34.032 31.823 0.015 0.000 1.064 359 V HN 1.129 nan 8.190 nan 0.000 0.434 360 R N 2.353 122.862 120.500 0.016 0.000 2.664 360 R HA 0.741 5.081 4.340 -0.000 0.000 0.286 360 R C -1.132 175.177 176.300 0.017 0.000 0.967 360 R CA -0.594 55.516 56.100 0.016 0.000 0.933 360 R CB 2.186 32.496 30.300 0.017 0.000 1.146 360 R HN 0.812 nan 8.270 nan 0.000 0.468 361 V N 1.119 121.043 119.914 0.017 0.000 2.334 361 V HA 0.715 4.835 4.120 -0.000 0.000 0.281 361 V C 0.229 176.333 176.094 0.016 0.000 1.016 361 V CA 0.354 62.664 62.300 0.017 0.000 0.832 361 V CB 0.804 32.639 31.823 0.018 0.000 0.999 361 V HN 1.022 nan 8.190 nan 0.000 0.439 362 G N 3.719 112.528 108.800 0.014 0.000 4.589 362 G HA2 0.230 4.190 3.960 -0.000 0.000 0.218 362 G HA3 0.230 4.190 3.960 -0.000 0.000 0.218 362 G C -0.260 174.645 174.900 0.008 0.000 0.678 362 G CA 0.212 45.320 45.100 0.013 0.000 0.859 362 G HN 1.021 nan 8.290 nan 0.000 0.650 363 D N -1.304 119.098 120.400 0.004 0.000 4.808 363 D HA -0.198 4.441 4.640 -0.000 0.000 0.304 363 D C 1.432 177.723 176.300 -0.015 0.000 2.360 363 D CA 0.769 54.766 54.000 -0.005 0.000 1.222 363 D CB -0.831 39.962 40.800 -0.011 0.000 1.085 363 D HN 0.135 nan 8.370 nan 0.000 1.266 364 L N -0.077 121.130 121.223 -0.027 0.000 2.141 364 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 364 L C 2.432 179.258 176.870 -0.074 0.000 1.094 364 L CA 1.351 56.166 54.840 -0.041 0.000 0.763 364 L CB -0.339 41.700 42.059 -0.033 0.000 0.908 364 L HN 0.425 nan 8.230 nan 0.000 0.437 365 E N 0.459 120.622 120.200 -0.062 0.000 2.153 365 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 365 E C 1.395 177.939 176.600 -0.092 0.000 0.988 365 E CA 1.531 57.878 56.400 -0.089 0.000 0.811 365 E CB 0.142 29.846 29.700 0.006 0.000 0.746 365 E HN 0.484 nan 8.360 nan 0.000 0.466 366 D N 0.691 121.086 120.400 -0.009 0.000 2.149 366 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 366 D C 1.863 178.160 176.300 -0.005 0.000 0.972 366 D CA 0.301 54.323 54.000 0.038 0.000 0.835 366 D CB -0.267 40.552 40.800 0.033 0.000 0.966 366 D HN 0.169 nan 8.370 nan 0.000 0.476 367 L N 1.124 122.321 121.223 -0.045 0.000 2.017 367 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 367 L C 2.079 178.900 176.870 -0.082 0.000 1.073 367 L CA 1.794 56.606 54.840 -0.047 0.000 0.745 367 L CB -0.579 41.453 42.059 -0.045 0.000 0.894 367 L HN 0.070 nan 8.230 nan 0.000 0.432 368 E N -0.859 119.237 120.200 -0.172 0.000 2.097 368 E HA -0.291 4.059 4.350 -0.000 0.000 0.196 368 E C 1.958 178.442 176.600 -0.194 0.000 1.000 368 E CA 1.950 58.210 56.400 -0.234 0.000 0.804 368 E CB -0.110 29.369 29.700 -0.368 0.000 0.740 368 E HN 0.694 nan 8.360 nan 0.000 0.454 369 H N -1.014 118.056 119.070 -0.001 0.000 2.415 369 H HA 0.130 4.685 4.556 -0.000 0.000 0.297 369 H C 1.993 177.320 175.328 -0.001 0.000 1.048 369 H CA 0.717 56.764 56.048 -0.001 0.000 1.365 369 H CB 0.077 29.838 29.762 -0.001 0.000 1.421 369 H HN 0.243 nan 8.280 nan 0.000 0.533 370 A N 1.352 124.230 122.820 0.097 0.000 1.902 370 A HA -0.136 4.183 4.320 -0.000 0.000 0.217 370 A C 2.507 180.109 177.584 0.030 0.000 1.181 370 A CA 1.452 53.520 52.037 0.052 0.000 0.623 370 A CB -1.042 17.978 19.000 0.034 0.000 0.818 370 A HN 0.459 nan 8.150 nan 0.000 0.443 371 A N -0.215 122.612 122.820 0.011 0.000 1.908 371 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 371 A C 2.257 179.849 177.584 0.014 0.000 1.181 371 A CA 1.933 53.972 52.037 0.002 0.000 0.627 371 A CB -0.511 18.478 19.000 -0.018 0.000 0.818 371 A HN 0.570 nan 8.150 nan 0.000 0.445 372 R N -0.506 120.010 120.500 0.027 0.000 2.115 372 R HA -0.039 4.301 4.340 -0.000 0.000 0.230 372 R C 2.210 178.532 176.300 0.037 0.000 1.111 372 R CA 1.293 57.416 56.100 0.038 0.000 0.976 372 R CB -0.364 29.977 30.300 0.069 0.000 0.870 372 R HN 0.453 nan 8.270 nan 0.000 0.445 373 A N -0.013 122.831 122.820 0.041 0.000 1.855 373 A HA -0.032 4.288 4.320 -0.000 0.000 0.215 373 A C 2.148 179.742 177.584 0.017 0.000 1.191 373 A CA 1.570 53.625 52.037 0.030 0.000 0.613 373 A CB -0.928 18.092 19.000 0.032 0.000 0.829 373 A HN 0.517 nan 8.150 nan 0.000 0.442 374 G N -2.294 106.515 108.800 0.015 0.000 3.042 374 G HA2 0.349 4.308 3.960 -0.000 0.000 0.212 374 G HA3 0.349 4.308 3.960 -0.000 0.000 0.212 374 G C 0.299 175.205 174.900 0.010 0.000 1.166 374 G CA 0.508 45.612 45.100 0.007 0.000 0.767 374 G HN 0.562 nan 8.290 nan 0.000 0.546 375 Q N -1.122 118.686 119.800 0.014 0.000 2.434 375 Q HA -0.136 4.204 4.340 -0.000 0.000 0.288 375 Q C 0.563 176.573 176.000 0.018 0.000 1.372 375 Q CA -0.107 55.706 55.803 0.016 0.000 0.731 375 Q CB -2.121 26.627 28.738 0.017 0.000 1.126 375 Q HN 0.691 nan 8.270 nan 0.000 0.398 376 A N 0.590 123.417 122.820 0.012 0.000 2.603 376 A HA -0.055 4.264 4.320 -0.000 0.000 0.235 376 A C 0.977 178.564 177.584 0.007 0.000 1.035 376 A CA 1.029 53.070 52.037 0.006 0.000 0.755 376 A CB 0.301 19.296 19.000 -0.009 0.000 0.954 376 A HN 0.534 nan 8.150 nan 0.000 0.511 377 Q N -0.110 119.694 119.800 0.007 0.000 2.319 377 Q HA 0.344 4.684 4.340 -0.000 0.000 0.209 377 Q C -0.411 175.571 176.000 -0.030 0.000 0.884 377 Q CA 0.094 55.901 55.803 0.007 0.000 0.938 377 Q CB 0.672 29.427 28.738 0.028 0.000 1.098 377 Q HN 0.586 nan 8.270 nan 0.000 0.517 378 L N -0.214 120.981 121.223 -0.046 0.000 2.703 378 L HA 0.384 4.724 4.340 -0.000 0.000 0.257 378 L C -2.038 174.785 176.870 -0.078 0.000 0.923 378 L CA -0.510 54.281 54.840 -0.083 0.000 0.936 378 L CB 1.809 43.823 42.059 -0.076 0.000 1.482 378 L HN -0.307 nan 8.230 nan 0.000 0.432 379 V N 5.887 125.744 119.914 -0.096 0.000 2.444 379 V HA 0.526 4.646 4.120 -0.000 0.000 0.294 379 V C 0.206 176.224 176.094 -0.128 0.000 1.022 379 V CA -0.404 61.838 62.300 -0.096 0.000 0.850 379 V CB 1.895 33.673 31.823 -0.075 0.000 0.992 379 V HN 0.599 nan 8.190 nan 0.000 0.426 380 I N 4.685 125.154 120.570 -0.169 0.000 2.353 380 I HA 0.829 4.998 4.170 -0.000 0.000 0.293 380 I C 0.810 176.808 176.117 -0.198 0.000 0.992 380 I CA 0.307 61.458 61.300 -0.248 0.000 1.268 380 I CB 1.467 39.191 38.000 -0.461 0.000 1.387 380 I HN 0.785 nan 8.210 nan 0.000 0.478 381 G N 5.107 113.807 108.800 -0.167 0.000 2.321 381 G HA2 0.130 4.090 3.960 -0.000 0.000 0.296 381 G HA3 0.130 4.090 3.960 -0.000 0.000 0.296 381 G C -1.812 173.033 174.900 -0.091 0.000 1.287 381 G CA -0.928 44.109 45.100 -0.105 0.000 0.846 381 G HN 0.699 nan 8.290 nan 0.000 0.508 382 N N -1.091 117.569 118.700 -0.067 0.000 2.491 382 N HA 0.327 5.067 4.740 -0.000 0.000 0.279 382 N C 1.119 176.534 175.510 -0.158 0.000 1.236 382 N CA 0.052 53.039 53.050 -0.104 0.000 0.982 382 N CB 1.598 40.040 38.487 -0.075 0.000 1.194 382 N HN 0.287 nan 8.380 nan 0.000 0.582 383 S N -0.256 115.247 115.700 -0.329 0.000 2.423 383 S HA -0.194 4.275 4.470 -0.000 0.000 0.238 383 S C 1.358 175.790 174.600 -0.281 0.000 1.028 383 S CA 0.996 58.895 58.200 -0.503 0.000 1.000 383 S CB -0.686 61.779 63.200 -1.226 0.000 0.797 383 S HN 0.505 nan 8.310 nan 0.000 0.487 384 H N 0.753 119.790 119.070 -0.056 0.000 2.491 384 H HA 0.160 4.716 4.556 -0.000 0.000 0.290 384 H C 2.242 177.570 175.328 -0.000 0.000 1.050 384 H CA 0.942 57.019 56.048 0.048 0.000 1.309 384 H CB -0.468 29.341 29.762 0.079 0.000 1.392 384 H HN 0.457 nan 8.280 nan 0.000 0.554 385 A N 0.813 123.671 122.820 0.063 0.000 2.067 385 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 385 A C 2.548 180.130 177.584 -0.004 0.000 1.156 385 A CA 0.088 52.135 52.037 0.016 0.000 0.683 385 A CB -0.544 18.442 19.000 -0.022 0.000 0.808 385 A HN 0.296 nan 8.150 nan 0.000 0.455 386 L N -0.388 120.826 121.223 -0.014 0.000 1.976 386 L HA -0.345 3.995 4.340 -0.000 0.000 0.223 386 L C 3.020 179.894 176.870 0.006 0.000 1.081 386 L CA 2.007 56.839 54.840 -0.014 0.000 0.784 386 L CB -0.639 41.412 42.059 -0.014 0.000 0.896 386 L HN 0.468 nan 8.230 nan 0.000 0.438 387 A N -1.041 121.797 122.820 0.030 0.000 1.903 387 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 387 A C 2.365 179.951 177.584 0.003 0.000 1.191 387 A CA 2.483 54.536 52.037 0.026 0.000 0.638 387 A CB -0.876 18.150 19.000 0.044 0.000 0.823 387 A HN 0.572 nan 8.150 nan 0.000 0.451 388 S N -0.366 115.329 115.700 -0.008 0.000 2.351 388 S HA -0.071 4.399 4.470 -0.000 0.000 0.220 388 S C 2.390 176.970 174.600 -0.032 0.000 1.035 388 S CA 1.413 59.591 58.200 -0.036 0.000 1.031 388 S CB -0.704 62.468 63.200 -0.047 0.000 0.928 388 S HN 0.893 nan 8.310 nan 0.000 0.433 389 A N 1.796 124.599 122.820 -0.027 0.000 1.884 389 A HA -0.212 4.107 4.320 -0.000 0.000 0.219 389 A C 2.142 179.722 177.584 -0.006 0.000 1.197 389 A CA 1.892 53.914 52.037 -0.025 0.000 0.637 389 A CB -0.632 18.348 19.000 -0.034 0.000 0.827 389 A HN 0.430 nan 8.150 nan 0.000 0.450 390 R N -1.522 118.979 120.500 0.002 0.000 2.148 390 R HA -0.014 4.326 4.340 -0.000 0.000 0.227 390 R C 2.405 178.712 176.300 0.011 0.000 1.103 390 R CA 1.286 57.394 56.100 0.015 0.000 0.983 390 R CB -0.167 30.143 30.300 0.017 0.000 0.874 390 R HN 0.492 nan 8.270 nan 0.000 0.451 391 R N -0.268 120.233 120.500 0.002 0.000 2.200 391 R HA 0.049 4.389 4.340 -0.000 0.000 0.208 391 R C 0.265 176.565 176.300 -0.001 0.000 1.033 391 R CA 0.269 56.369 56.100 0.000 0.000 1.000 391 R CB 0.304 30.599 30.300 -0.009 0.000 0.906 391 R HN -0.030 nan 8.270 nan 0.000 0.462 392 L N -1.479 119.740 121.223 -0.006 0.000 2.600 392 L HA 0.257 4.597 4.340 -0.000 0.000 0.221 392 L C 1.333 178.210 176.870 0.013 0.000 1.197 392 L CA 0.435 55.276 54.840 0.001 0.000 0.838 392 L CB 0.021 42.075 42.059 -0.008 0.000 1.474 392 L HN 0.062 nan 8.230 nan 0.000 0.514 393 G N -0.222 108.590 108.800 0.020 0.000 4.084 393 G HA2 0.445 4.405 3.960 -0.000 0.000 0.293 393 G HA3 0.445 4.405 3.960 -0.000 0.000 0.293 393 G C -0.549 174.389 174.900 0.063 0.000 1.303 393 G CA 0.077 45.199 45.100 0.037 0.000 1.289 393 G HN 0.177 nan 8.290 nan 0.000 0.609 394 V N 0.468 120.408 119.914 0.043 0.000 2.876 394 V HA 0.520 4.640 4.120 -0.000 0.000 0.312 394 V C -2.297 173.758 176.094 -0.065 0.000 1.085 394 V CA -1.818 60.482 62.300 -0.000 0.000 0.945 394 V CB 3.519 35.327 31.823 -0.025 0.000 1.017 394 V HN 0.147 nan 8.190 nan 0.000 0.428 395 P HA 0.310 nan 4.420 nan 0.000 0.274 395 P C -1.158 176.033 177.300 -0.180 0.000 1.231 395 P CA -0.230 62.650 63.100 -0.368 0.000 0.790 395 P CB 0.671 31.953 31.700 -0.697 0.000 0.951 396 L N 2.865 124.012 121.223 -0.127 0.000 2.346 396 L HA 0.559 4.899 4.340 -0.000 0.000 0.274 396 L C -1.271 175.544 176.870 -0.092 0.000 1.007 396 L CA -1.121 53.660 54.840 -0.097 0.000 0.818 396 L CB 1.844 43.861 42.059 -0.070 0.000 1.284 396 L HN 0.226 nan 8.230 nan 0.000 0.424 397 L N 5.596 126.762 121.223 -0.094 0.000 2.388 397 L HA 0.442 4.782 4.340 -0.000 0.000 0.267 397 L C -0.226 176.614 176.870 -0.050 0.000 0.995 397 L CA -0.418 54.385 54.840 -0.063 0.000 0.864 397 L CB 0.985 42.999 42.059 -0.074 0.000 1.216 397 L HN 0.575 nan 8.230 nan 0.000 0.430 398 R N 3.879 124.369 120.500 -0.017 0.000 2.539 398 R HA 0.866 5.205 4.340 -0.000 0.000 0.275 398 R C -0.583 175.777 176.300 0.101 0.000 1.077 398 R CA -0.224 55.865 56.100 -0.019 0.000 1.097 398 R CB 0.884 31.145 30.300 -0.065 0.000 1.018 398 R HN 0.644 nan 8.270 nan 0.000 0.483 399 A N 0.627 123.433 122.820 -0.024 0.000 2.610 399 A HA 0.748 5.068 4.320 -0.000 0.000 0.291 399 A C -0.233 177.245 177.584 -0.177 0.000 1.086 399 A CA -0.260 51.675 52.037 -0.170 0.000 0.677 399 A CB 1.588 20.420 19.000 -0.280 0.000 1.278 399 A HN 1.234 nan 8.150 nan 0.000 0.414 400 G N -1.335 107.324 108.800 -0.235 0.000 2.710 400 G HA2 0.115 4.075 3.960 -0.000 0.000 0.668 400 G HA3 0.115 4.075 3.960 -0.000 0.000 0.668 400 G C -0.090 174.747 174.900 -0.106 0.000 1.320 400 G CA 0.289 45.326 45.100 -0.105 0.000 0.860 400 G HN 1.620 nan 8.290 nan 0.000 0.538 401 F N 1.153 121.004 119.950 -0.165 0.000 2.678 401 F HA 0.337 4.864 4.527 -0.000 0.000 0.305 401 F C -1.614 173.943 175.800 -0.405 0.000 1.090 401 F CA -0.066 57.738 58.000 -0.327 0.000 1.272 401 F CB 1.027 39.718 39.000 -0.515 0.000 1.060 401 F HN 0.265 nan 8.300 nan 0.000 0.576 402 P HA 0.185 nan 4.420 nan 0.000 0.284 402 P C -1.674 175.509 177.300 -0.194 0.000 1.459 402 P CA -0.182 62.788 63.100 -0.217 0.000 0.982 402 P CB 0.898 32.564 31.700 -0.058 0.000 1.184 403 Q N 2.556 122.326 119.800 -0.051 0.000 2.798 403 Q HA 0.242 4.582 4.340 -0.000 0.000 0.250 403 Q C -0.387 175.381 176.000 -0.386 0.000 1.006 403 Q CA -0.840 54.745 55.803 -0.364 0.000 0.759 403 Q CB 0.082 28.649 28.738 -0.285 0.000 1.201 403 Q HN 0.451 nan 8.270 nan 0.000 0.486 404 Y N 0.085 120.266 120.300 -0.200 0.000 2.546 404 Y HA 0.103 4.653 4.550 -0.000 0.000 0.287 404 Y C 0.965 176.798 175.900 -0.112 0.000 1.158 404 Y CA 0.495 58.501 58.100 -0.157 0.000 1.307 404 Y CB 0.118 38.486 38.460 -0.154 0.000 1.036 404 Y HN 0.464 nan 8.280 nan 0.000 0.532 405 D N 0.155 120.354 120.400 -0.335 0.000 2.363 405 D HA 0.101 4.740 4.640 -0.000 0.000 0.214 405 D C -0.321 175.906 176.300 -0.121 0.000 1.093 405 D CA 0.009 53.925 54.000 -0.140 0.000 0.837 405 D CB 0.173 40.858 40.800 -0.192 0.000 0.948 405 D HN 0.342 nan 8.370 nan 0.000 0.507 406 L N 1.219 122.354 121.223 -0.147 0.000 2.404 406 L HA 0.211 4.551 4.340 -0.000 0.000 0.272 406 L C 0.693 177.504 176.870 -0.099 0.000 0.980 406 L CA -0.763 54.003 54.840 -0.123 0.000 0.836 406 L CB 1.681 43.648 42.059 -0.153 0.000 1.238 406 L HN -0.234 nan 8.230 nan 0.000 0.408 407 L N 3.669 124.853 121.223 -0.064 0.000 2.012 407 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 407 L C 1.985 178.802 176.870 -0.089 0.000 1.073 407 L CA 2.334 57.154 54.840 -0.034 0.000 0.748 407 L CB -1.391 40.655 42.059 -0.021 0.000 0.891 407 L HN 0.892 nan 8.230 nan 0.000 0.431 408 G N -1.196 107.512 108.800 -0.154 0.000 2.484 408 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.218 408 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.218 408 G C 1.537 176.189 174.900 -0.413 0.000 1.130 408 G CA 0.649 45.592 45.100 -0.261 0.000 0.784 408 G HN 0.515 nan 8.290 nan 0.000 0.543 409 G N 1.092 109.704 108.800 -0.314 0.000 2.484 409 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.218 409 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.218 409 G C 1.494 176.257 174.900 -0.229 0.000 1.130 409 G CA 0.710 45.660 45.100 -0.250 0.000 0.784 409 G HN 0.586 nan 8.290 nan 0.000 0.543 410 F N -0.229 119.564 119.950 -0.262 0.000 2.641 410 F HA 0.197 4.724 4.527 -0.000 0.000 0.298 410 F C 1.867 177.717 175.800 0.083 0.000 1.146 410 F CA 1.023 58.874 58.000 -0.248 0.000 1.464 410 F CB 0.212 38.999 39.000 -0.353 0.000 1.101 410 F HN 0.303 nan 8.300 nan 0.000 0.585 411 Q N 0.887 120.441 119.800 -0.409 0.000 2.140 411 Q HA 0.176 4.516 4.340 -0.000 0.000 0.227 411 Q C 0.491 176.394 176.000 -0.162 0.000 0.798 411 Q CA -0.412 55.218 55.803 -0.287 0.000 0.987 411 Q CB 0.317 28.558 28.738 -0.829 0.000 1.161 411 Q HN 0.437 nan 8.270 nan 0.000 0.480 412 R N 0.724 121.103 120.500 -0.201 0.000 2.538 412 R HA 0.007 4.347 4.340 -0.000 0.000 0.282 412 R C -0.767 175.428 176.300 -0.174 0.000 1.009 412 R CA 0.205 56.089 56.100 -0.361 0.000 1.063 412 R CB 0.459 30.236 30.300 -0.871 0.000 0.945 412 R HN 0.324 nan 8.270 nan 0.000 0.414 413 C N 7.713 126.905 119.300 -0.180 0.000 2.416 413 C HA 0.204 4.664 4.460 -0.000 0.000 0.355 413 C C 1.240 176.147 174.990 -0.138 0.000 1.211 413 C CA -0.773 58.213 59.018 -0.053 0.000 1.699 413 C CB -1.015 26.704 27.740 -0.034 0.000 2.310 413 C HN 0.990 nan 8.230 nan 0.000 0.539 414 W N 3.258 124.510 121.300 -0.079 0.000 2.576 414 W HA 0.069 4.729 4.660 -0.000 0.000 0.270 414 W C 1.241 177.613 176.519 -0.245 0.000 1.255 414 W CA 0.086 57.323 57.345 -0.180 0.000 1.314 414 W CB -0.195 29.154 29.460 -0.184 0.000 1.101 414 W HN 0.601 nan 8.180 nan 0.000 0.595 415 S N -0.603 115.128 115.700 0.050 0.000 2.632 415 S HA 0.554 5.024 4.470 -0.000 0.000 0.267 415 S C 0.528 174.794 174.600 -0.556 0.000 1.276 415 S CA 0.365 58.507 58.200 -0.097 0.000 0.998 415 S CB 1.295 64.437 63.200 -0.097 0.000 0.953 415 S HN 0.412 nan 8.310 nan 0.000 0.547 416 G N 0.419 108.881 108.800 -0.562 0.000 2.725 416 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 416 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 416 G C 0.153 174.834 174.900 -0.364 0.000 1.357 416 G CA 0.221 44.885 45.100 -0.727 0.000 0.866 416 G HN 0.699 nan 8.290 nan 0.000 0.548 417 Y N 0.181 120.409 120.300 -0.120 0.000 2.145 417 Y HA -0.133 4.417 4.550 -0.000 0.000 0.286 417 Y C 3.338 179.193 175.900 -0.076 0.000 1.145 417 Y CA 1.850 59.932 58.100 -0.030 0.000 1.148 417 Y CB -0.133 38.382 38.460 0.092 0.000 0.981 417 Y HN 0.337 nan 8.280 nan 0.000 0.507 418 R N -0.029 120.529 120.500 0.097 0.000 2.062 418 R HA -0.061 4.279 4.340 -0.000 0.000 0.229 418 R C 2.503 178.741 176.300 -0.103 0.000 1.128 418 R CA 1.015 57.119 56.100 0.007 0.000 0.960 418 R CB -1.456 28.869 30.300 0.042 0.000 0.855 418 R HN 0.464 nan 8.270 nan 0.000 0.432 419 G N 0.817 109.514 108.800 -0.172 0.000 2.628 419 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.217 419 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.217 419 G C 1.654 176.420 174.900 -0.224 0.000 1.240 419 G CA 1.488 46.450 45.100 -0.229 0.000 0.792 419 G HN 0.297 nan 8.290 nan 0.000 0.593 420 S N 0.819 116.401 115.700 -0.195 0.000 2.368 420 S HA -0.241 4.229 4.470 -0.000 0.000 0.226 420 S C 2.826 177.309 174.600 -0.194 0.000 1.044 420 S CA 2.338 60.435 58.200 -0.173 0.000 1.062 420 S CB -0.517 62.630 63.200 -0.088 0.000 0.931 420 S HN 0.740 nan 8.310 nan 0.000 0.440 421 S N 1.090 116.665 115.700 -0.209 0.000 2.368 421 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 421 S C 1.871 176.086 174.600 -0.641 0.000 1.029 421 S CA 1.325 59.281 58.200 -0.408 0.000 0.988 421 S CB -0.579 62.407 63.200 -0.357 0.000 0.838 421 S HN 0.365 nan 8.310 nan 0.000 0.462 422 Q N 1.401 120.983 119.800 -0.363 0.000 2.170 422 Q HA 0.004 4.344 4.340 -0.000 0.000 0.203 422 Q C 1.998 177.898 176.000 -0.168 0.000 0.976 422 Q CA 1.625 57.314 55.803 -0.190 0.000 0.858 422 Q CB -0.827 27.842 28.738 -0.115 0.000 0.907 422 Q HN 0.506 nan 8.270 nan 0.000 0.433 423 V N 0.048 119.845 119.914 -0.195 0.000 2.515 423 V HA -0.215 3.905 4.120 -0.000 0.000 0.250 423 V C 1.998 178.046 176.094 -0.076 0.000 1.058 423 V CA 1.267 63.509 62.300 -0.097 0.000 1.064 423 V CB -0.448 31.360 31.823 -0.025 0.000 0.675 423 V HN 0.275 nan 8.190 nan 0.000 0.461 424 L N -1.389 119.731 121.223 -0.172 0.000 2.044 424 L HA -0.058 4.282 4.340 -0.000 0.000 0.205 424 L C 2.334 179.195 176.870 -0.015 0.000 1.075 424 L CA 1.674 56.437 54.840 -0.127 0.000 0.747 424 L CB -0.814 41.131 42.059 -0.191 0.000 0.903 424 L HN 0.172 nan 8.230 nan 0.000 0.435 425 F N 0.518 120.457 119.950 -0.018 0.000 2.087 425 F HA -0.278 4.249 4.527 -0.000 0.000 0.299 425 F C 2.411 178.194 175.800 -0.029 0.000 1.100 425 F CA 1.210 59.197 58.000 -0.022 0.000 1.226 425 F CB -1.214 37.767 39.000 -0.033 0.000 0.983 425 F HN 0.170 nan 8.300 nan 0.000 0.479 426 D N 0.319 120.801 120.400 0.138 0.000 2.078 426 D HA -0.154 4.486 4.640 -0.000 0.000 0.193 426 D C 2.571 178.891 176.300 0.034 0.000 0.990 426 D CA 1.239 55.273 54.000 0.056 0.000 0.827 426 D CB -0.802 40.001 40.800 0.004 0.000 0.975 426 D HN 0.199 nan 8.370 nan 0.000 0.451 427 L N 0.885 122.121 121.223 0.020 0.000 2.013 427 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 427 L C 2.641 179.523 176.870 0.021 0.000 1.073 427 L CA 1.358 56.199 54.840 0.002 0.000 0.753 427 L CB -0.682 41.373 42.059 -0.006 0.000 0.890 427 L HN -0.027 nan 8.230 nan 0.000 0.432 428 A N 0.503 123.356 122.820 0.054 0.000 1.892 428 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 428 A C 2.138 179.754 177.584 0.053 0.000 1.188 428 A CA 2.283 54.360 52.037 0.067 0.000 0.631 428 A CB -0.709 18.363 19.000 0.119 0.000 0.822 428 A HN 0.491 nan 8.150 nan 0.000 0.447 429 N N -0.108 118.627 118.700 0.058 0.000 2.120 429 N HA -0.086 4.654 4.740 -0.000 0.000 0.188 429 N C 1.748 177.292 175.510 0.055 0.000 1.024 429 N CA 1.483 54.560 53.050 0.044 0.000 0.852 429 N CB -0.436 38.071 38.487 0.034 0.000 1.003 429 N HN 0.533 nan 8.380 nan 0.000 0.424 430 L N 0.717 121.958 121.223 0.031 0.000 2.027 430 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 430 L C 2.369 179.252 176.870 0.021 0.000 1.074 430 L CA 0.692 55.535 54.840 0.005 0.000 0.745 430 L CB -0.527 41.467 42.059 -0.110 0.000 0.898 430 L HN 0.079 nan 8.230 nan 0.000 0.433 431 L N -0.761 120.463 121.223 0.002 0.000 2.043 431 L HA -0.242 4.097 4.340 -0.000 0.000 0.212 431 L C 2.546 179.471 176.870 0.092 0.000 1.075 431 L CA 1.065 55.923 54.840 0.030 0.000 0.752 431 L CB -0.535 41.534 42.059 0.018 0.000 0.891 431 L HN 0.074 nan 8.230 nan 0.000 0.432 432 V N 0.488 120.444 119.914 0.069 0.000 2.295 432 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 432 V C 2.455 178.620 176.094 0.119 0.000 1.049 432 V CA 2.237 64.572 62.300 0.057 0.000 1.024 432 V CB -0.632 31.202 31.823 0.019 0.000 0.648 432 V HN 0.670 nan 8.190 nan 0.000 0.447 433 E N -0.958 119.331 120.200 0.149 0.000 2.299 433 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 433 E C 1.554 178.216 176.600 0.103 0.000 0.998 433 E CA 0.980 57.451 56.400 0.118 0.000 0.851 433 E CB -0.342 29.410 29.700 0.087 0.000 0.795 433 E HN 0.746 nan 8.360 nan 0.000 0.492 434 H N -0.499 118.601 119.070 0.051 0.000 2.524 434 H HA 0.116 4.672 4.556 -0.000 0.000 0.280 434 H C -0.020 175.349 175.328 0.067 0.000 1.018 434 H CA 0.043 56.116 56.048 0.041 0.000 1.165 434 H CB 0.120 29.899 29.762 0.028 0.000 1.411 434 H HN 0.298 nan 8.280 nan 0.000 0.569 435 H N 0.000 119.124 119.070 0.090 0.000 2.539 435 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 435 H CA 0.000 56.078 56.048 0.051 0.000 1.023 435 H CB 0.000 29.788 29.762 0.043 0.000 1.292 435 H HN 0.000 nan 8.280 nan 0.000 0.496