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 2wh8_1_D DATA FIRST_RESID 6 DATA SEQUENCE SHEFQLATAE TWPNPWPMYR ALRDHDPVHH VVPPQRPEYD YYVLSRHADV DATA SEQUENCE WSAARDHQTF SSAQGLTVNY GELEMIGLHD TPPMVMQDPP VHTEFRKLVS DATA SEQUENCE RGFTPRQVET VEPTVRKFVV ERLEKLRANG GGDIVTELFK PLPSMVVAHY DATA SEQUENCE LGVPEEDWTQ FDGWTQAIVA ANAXXXXXXG ALDAVGSMMA YFTGLIERRR DATA SEQUENCE TEPADDAISH LVAAGVXXXG DTAGTLSILA FTFTMVTGGN DTVTGMLGGS DATA SEQUENCE MPLLHRRPDQ RRLLLDDPEG IPDAVEELLR LTSPVQGLAR TTTRDVTIGD DATA SEQUENCE TTIPAGRRVL LLYGSANRDE RQYGPDAAEL DVTRCPRNIL TFSHGAHHCL DATA SEQUENCE GAAAARMQCR VALTELLARC PDFEVAESRI VWSGGSYVRR PLSVPFRV 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.689 174.600 0.148 0.000 1.055 6 S CA 0.000 58.207 58.200 0.012 0.000 1.107 6 S CB 0.000 63.174 63.200 -0.043 0.000 0.593 7 H N 1.074 120.113 119.070 -0.052 0.000 2.551 7 H HA 0.259 4.815 4.556 -0.000 0.000 0.271 7 H C 0.145 175.460 175.328 -0.021 0.000 0.984 7 H CA -0.309 55.722 56.048 -0.028 0.000 1.164 7 H CB 0.447 30.213 29.762 0.007 0.000 1.437 7 H HN 0.460 nan 8.280 nan 0.000 0.550 8 E N 1.242 121.490 120.200 0.079 0.000 2.360 8 E HA -0.037 4.313 4.350 -0.000 0.000 0.269 8 E C -0.479 176.121 176.600 -0.000 0.000 1.022 8 E CA -0.232 56.191 56.400 0.039 0.000 0.887 8 E CB 0.698 30.405 29.700 0.012 0.000 0.990 8 E HN 0.132 nan 8.360 nan 0.000 0.426 9 F N 3.668 123.569 119.950 -0.083 0.000 2.578 9 F HA -0.001 4.526 4.527 -0.000 0.000 0.376 9 F C 0.369 176.150 175.800 -0.032 0.000 1.085 9 F CA 0.386 58.341 58.000 -0.074 0.000 1.260 9 F CB 0.291 39.225 39.000 -0.111 0.000 1.095 9 F HN 0.285 nan 8.300 nan 0.000 0.573 10 Q N 5.506 124.535 119.800 -1.285 0.000 2.472 10 Q HA 0.457 4.797 4.340 -0.000 0.000 0.281 10 Q C -1.926 173.412 176.000 -1.104 0.000 0.997 10 Q CA -1.157 54.076 55.803 -0.951 0.000 0.828 10 Q CB 1.508 29.969 28.738 -0.462 0.000 1.443 10 Q HN 0.699 nan 8.270 nan 0.000 0.390 11 L N 1.992 122.817 121.223 -0.664 0.000 2.453 11 L HA 0.468 4.808 4.340 -0.000 0.000 0.272 11 L C 0.546 177.074 176.870 -0.570 0.000 1.182 11 L CA -0.228 54.315 54.840 -0.495 0.000 0.858 11 L CB 0.757 42.659 42.059 -0.262 0.000 1.120 11 L HN 0.859 nan 8.230 nan 0.000 0.474 12 A N 2.848 125.211 122.820 -0.762 0.000 2.425 12 A HA 0.495 4.815 4.320 -0.000 0.000 0.242 12 A C 0.358 177.438 177.584 -0.839 0.000 1.077 12 A CA 0.125 51.502 52.037 -1.099 0.000 0.781 12 A CB 0.274 17.884 19.000 -2.317 0.000 1.020 12 A HN 0.784 nan 8.150 nan 0.000 0.494 13 T N -2.751 111.357 114.554 -0.744 0.000 2.864 13 T HA 0.631 4.981 4.350 -0.000 0.000 0.289 13 T C 1.043 175.567 174.700 -0.294 0.000 1.082 13 T CA -0.009 61.853 62.100 -0.396 0.000 1.009 13 T CB 1.190 69.921 68.868 -0.229 0.000 1.234 13 T HN 1.431 nan 8.240 nan 0.000 0.526 14 A N 0.217 123.053 122.820 0.026 0.000 1.986 14 A HA -0.070 4.250 4.320 -0.000 0.000 0.220 14 A C 1.942 179.601 177.584 0.123 0.000 1.171 14 A CA 2.013 54.188 52.037 0.231 0.000 0.640 14 A CB -1.139 17.991 19.000 0.217 0.000 0.811 14 A HN 0.900 nan 8.150 nan 0.000 0.451 15 E N -0.678 119.516 120.200 -0.011 0.000 2.208 15 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 15 E C 1.998 178.524 176.600 -0.124 0.000 0.988 15 E CA 1.574 57.950 56.400 -0.040 0.000 0.828 15 E CB -0.270 29.397 29.700 -0.056 0.000 0.763 15 E HN 0.811 nan 8.360 nan 0.000 0.478 16 T N -3.847 110.557 114.554 -0.251 0.000 3.040 16 T HA 0.031 4.381 4.350 -0.000 0.000 0.250 16 T C 1.380 175.820 174.700 -0.433 0.000 1.058 16 T CA -0.413 61.472 62.100 -0.358 0.000 0.988 16 T CB -0.452 68.147 68.868 -0.448 0.000 0.993 16 T HN 0.229 nan 8.240 nan 0.000 0.519 17 W N 2.088 123.126 121.300 -0.437 0.000 2.392 17 W HA 0.079 4.739 4.660 -0.000 0.000 0.279 17 W C -1.122 174.763 176.519 -1.057 0.000 1.225 17 W CA -0.261 56.661 57.345 -0.705 0.000 1.233 17 W CB -0.777 28.314 29.460 -0.614 0.000 1.122 17 W HN 0.339 nan 8.180 nan 0.000 0.561 18 P HA -0.172 nan 4.420 nan 0.000 0.216 18 P C 0.386 177.401 177.300 -0.474 0.000 1.150 18 P CA 1.774 64.572 63.100 -0.504 0.000 0.837 18 P CB 0.087 31.710 31.700 -0.130 0.000 0.786 19 N N -2.117 116.245 118.700 -0.563 0.000 2.697 19 N HA 0.130 4.870 4.740 -0.000 0.000 0.253 19 N C -2.369 172.621 175.510 -0.867 0.000 1.604 19 N CA -1.545 51.079 53.050 -0.710 0.000 0.772 19 N CB 0.196 38.501 38.487 -0.302 0.000 1.267 19 N HN -0.086 nan 8.380 nan 0.000 0.510 20 P HA 0.094 nan 4.420 nan 0.000 0.249 20 P C 0.742 177.460 177.300 -0.970 0.000 1.229 20 P CA 0.166 62.630 63.100 -1.060 0.000 0.788 20 P CB -0.140 30.874 31.700 -1.144 0.000 1.072 21 W N 0.822 121.874 121.300 -0.414 0.000 2.388 21 W HA 0.011 4.671 4.660 -0.000 0.000 0.294 21 W C -0.708 175.695 176.519 -0.194 0.000 1.212 21 W CA 0.147 57.321 57.345 -0.284 0.000 1.271 21 W CB -2.406 26.988 29.460 -0.109 0.000 1.126 21 W HN 0.122 nan 8.180 nan 0.000 0.535 22 P HA -0.236 nan 4.420 nan 0.000 0.217 22 P C 1.827 178.919 177.300 -0.346 0.000 1.150 22 P CA 1.693 64.658 63.100 -0.225 0.000 0.832 22 P CB -0.272 31.275 31.700 -0.254 0.000 0.787 23 M N -1.838 117.599 119.600 -0.272 0.000 2.067 23 M HA -0.221 4.259 4.480 -0.000 0.000 0.260 23 M C 1.775 178.126 176.300 0.086 0.000 1.069 23 M CA 1.993 57.213 55.300 -0.133 0.000 1.117 23 M CB -0.606 31.907 32.600 -0.145 0.000 1.334 23 M HN -0.108 nan 8.290 nan 0.000 0.407 24 Y N 0.364 120.683 120.300 0.031 0.000 2.165 24 Y HA -0.218 4.332 4.550 -0.000 0.000 0.286 24 Y C 2.703 178.631 175.900 0.046 0.000 1.155 24 Y CA 1.224 59.380 58.100 0.093 0.000 1.164 24 Y CB -1.287 37.289 38.460 0.193 0.000 0.978 24 Y HN 0.287 nan 8.280 nan 0.000 0.513 25 R N 0.411 121.020 120.500 0.182 0.000 2.083 25 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 25 R C 2.367 178.671 176.300 0.008 0.000 1.137 25 R CA 1.328 57.472 56.100 0.072 0.000 0.951 25 R CB -0.873 29.442 30.300 0.025 0.000 0.851 25 R HN 0.348 nan 8.270 nan 0.000 0.434 26 A N 0.997 123.812 122.820 -0.007 0.000 1.908 26 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 26 A C 2.474 180.095 177.584 0.060 0.000 1.181 26 A CA 1.292 53.366 52.037 0.062 0.000 0.627 26 A CB -0.619 18.430 19.000 0.081 0.000 0.818 26 A HN 0.288 nan 8.150 nan 0.000 0.445 27 L N -1.145 120.108 121.223 0.050 0.000 2.012 27 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 27 L C 2.895 179.778 176.870 0.023 0.000 1.073 27 L CA 1.721 56.577 54.840 0.026 0.000 0.748 27 L CB -0.533 41.543 42.059 0.028 0.000 0.891 27 L HN 0.356 nan 8.230 nan 0.000 0.431 28 R N -0.242 120.270 120.500 0.020 0.000 2.096 28 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 28 R C 1.741 178.012 176.300 -0.049 0.000 1.127 28 R CA 1.473 57.576 56.100 0.005 0.000 0.968 28 R CB -0.260 30.053 30.300 0.022 0.000 0.861 28 R HN 0.399 nan 8.270 nan 0.000 0.440 29 D N -1.287 119.027 120.400 -0.143 0.000 2.216 29 D HA -0.022 4.618 4.640 -0.000 0.000 0.208 29 D C 1.223 177.301 176.300 -0.371 0.000 0.960 29 D CA 1.222 55.019 54.000 -0.339 0.000 0.861 29 D CB 0.145 40.590 40.800 -0.592 0.000 0.985 29 D HN 0.417 nan 8.370 nan 0.000 0.493 30 H N -1.708 117.393 119.070 0.052 0.000 3.058 30 H HA 0.243 4.799 4.556 -0.000 0.000 0.258 30 H C -0.286 175.083 175.328 0.068 0.000 1.015 30 H CA 0.012 56.094 56.048 0.056 0.000 1.210 30 H CB 1.360 31.156 29.762 0.057 0.000 1.481 30 H HN -0.168 nan 8.280 nan 0.000 0.492 31 D N -0.216 120.272 120.400 0.147 0.000 3.118 31 D HA 0.052 4.692 4.640 -0.000 0.000 0.259 31 D C -2.126 174.251 176.300 0.127 0.000 1.292 31 D CA -1.365 52.731 54.000 0.159 0.000 0.784 31 D CB 0.783 41.715 40.800 0.220 0.000 1.413 31 D HN 0.034 nan 8.370 nan 0.000 0.583 32 P HA -0.040 nan 4.420 nan 0.000 0.226 32 P C 0.399 177.753 177.300 0.091 0.000 1.153 32 P CA 0.449 63.591 63.100 0.071 0.000 0.777 32 P CB 0.607 32.338 31.700 0.051 0.000 0.794 33 V N 0.974 120.965 119.914 0.128 0.000 2.260 33 V HA 0.187 4.306 4.120 -0.000 0.000 0.263 33 V C -0.231 176.013 176.094 0.250 0.000 1.036 33 V CA -0.768 61.631 62.300 0.165 0.000 0.874 33 V CB -0.283 31.612 31.823 0.119 0.000 1.116 33 V HN 0.090 nan 8.190 nan 0.000 0.454 34 H N 2.403 121.532 119.070 0.098 0.000 2.527 34 H HA 0.389 4.945 4.556 -0.000 0.000 0.321 34 H C -0.160 175.136 175.328 -0.053 0.000 1.087 34 H CA -0.132 55.926 56.048 0.018 0.000 1.337 34 H CB 0.645 30.351 29.762 -0.092 0.000 1.440 34 H HN 0.680 nan 8.280 nan 0.000 0.490 35 H N 5.249 123.833 119.070 -0.811 0.000 2.604 35 H HA 0.358 4.913 4.556 -0.000 0.000 0.306 35 H C -0.922 173.762 175.328 -1.075 0.000 1.075 35 H CA -0.931 54.481 56.048 -1.061 0.000 1.357 35 H CB 0.622 29.928 29.762 -0.760 0.000 1.426 35 H HN 0.364 nan 8.280 nan 0.000 0.470 36 V N 7.064 126.411 119.914 -0.946 0.000 2.350 36 V HA 0.095 4.215 4.120 -0.000 0.000 0.276 36 V C -0.136 175.509 176.094 -0.750 0.000 1.028 36 V CA -0.630 61.173 62.300 -0.829 0.000 0.860 36 V CB 1.237 32.421 31.823 -1.065 0.000 0.990 36 V HN 0.515 nan 8.190 nan 0.000 0.453 37 V N 7.763 127.340 119.914 -0.561 0.000 2.275 37 V HA 0.317 4.437 4.120 -0.000 0.000 0.272 37 V C -2.317 173.680 176.094 -0.162 0.000 1.028 37 V CA -1.835 60.242 62.300 -0.371 0.000 0.810 37 V CB 1.281 32.857 31.823 -0.412 0.000 1.043 37 V HN 0.732 nan 8.190 nan 0.000 0.453 38 P HA 0.202 nan 4.420 nan 0.000 0.271 38 P C -2.031 175.263 177.300 -0.010 0.000 1.233 38 P CA -1.224 61.886 63.100 0.017 0.000 0.764 38 P CB 0.564 32.336 31.700 0.120 0.000 0.825 39 P HA -0.219 nan 4.420 nan 0.000 0.216 39 P C 1.633 178.919 177.300 -0.024 0.000 1.153 39 P CA 1.940 65.024 63.100 -0.027 0.000 0.858 39 P CB -0.415 31.270 31.700 -0.025 0.000 0.789 40 Q N -0.807 118.982 119.800 -0.019 0.000 2.472 40 Q HA 0.203 4.542 4.340 -0.000 0.000 0.208 40 Q C 1.377 177.350 176.000 -0.046 0.000 0.958 40 Q CA 1.529 57.315 55.803 -0.029 0.000 0.932 40 Q CB -0.819 27.903 28.738 -0.026 0.000 1.007 40 Q HN 0.383 nan 8.270 nan 0.000 0.508 41 R N 0.594 121.072 120.500 -0.036 0.000 3.033 41 R HA 0.391 4.731 4.340 -0.000 0.000 0.236 41 R C -2.519 173.786 176.300 0.010 0.000 1.774 41 R CA -0.228 55.835 56.100 -0.062 0.000 1.401 41 R CB -0.180 30.012 30.300 -0.180 0.000 1.539 41 R HN 0.291 nan 8.270 nan 0.000 0.618 42 P HA -0.153 nan 4.420 nan 0.000 0.226 42 P C 0.260 177.594 177.300 0.057 0.000 1.153 42 P CA 1.106 64.213 63.100 0.012 0.000 0.777 42 P CB 0.450 32.140 31.700 -0.017 0.000 0.794 43 E N -1.181 119.062 120.200 0.072 0.000 2.333 43 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 43 E C 0.647 177.380 176.600 0.221 0.000 1.007 43 E CA 0.938 57.404 56.400 0.109 0.000 0.845 43 E CB -0.829 28.936 29.700 0.109 0.000 0.766 43 E HN 0.351 nan 8.360 nan 0.000 0.507 44 Y N 1.959 122.270 120.300 0.019 0.000 2.801 44 Y HA 0.103 4.652 4.550 -0.000 0.000 0.318 44 Y C 0.014 176.142 175.900 0.379 0.000 1.073 44 Y CA -1.729 56.467 58.100 0.159 0.000 1.360 44 Y CB -0.697 37.945 38.460 0.304 0.000 1.220 44 Y HN 0.036 nan 8.280 nan 0.000 0.536 45 D N -0.025 120.572 120.400 0.329 0.000 2.400 45 D HA 0.063 4.703 4.640 -0.000 0.000 0.238 45 D C -0.147 176.440 176.300 0.478 0.000 1.157 45 D CA 0.348 54.491 54.000 0.238 0.000 0.889 45 D CB 1.105 41.972 40.800 0.112 0.000 1.199 45 D HN 0.349 nan 8.370 nan 0.000 0.436 46 Y N -2.238 118.171 120.300 0.182 0.000 2.788 46 Y HA 0.615 5.165 4.550 -0.000 0.000 0.327 46 Y C -1.654 174.253 175.900 0.011 0.000 1.314 46 Y CA -1.445 56.788 58.100 0.220 0.000 1.072 46 Y CB 0.927 39.496 38.460 0.181 0.000 1.326 46 Y HN 0.307 nan 8.280 nan 0.000 0.459 47 Y N -0.272 120.209 120.300 0.301 0.000 2.602 47 Y HA 0.760 5.309 4.550 -0.000 0.000 0.342 47 Y C -0.923 175.053 175.900 0.127 0.000 1.029 47 Y CA -1.367 56.799 58.100 0.110 0.000 1.080 47 Y CB 2.569 41.078 38.460 0.081 0.000 1.284 47 Y HN 0.486 nan 8.280 nan 0.000 0.485 48 V N 3.219 123.233 119.914 0.166 0.000 2.623 48 V HA 0.393 4.513 4.120 -0.000 0.000 0.304 48 V C -0.914 175.205 176.094 0.042 0.000 1.054 48 V CA -0.899 61.413 62.300 0.019 0.000 0.882 48 V CB 1.754 33.398 31.823 -0.299 0.000 1.002 48 V HN 0.505 nan 8.190 nan 0.000 0.424 49 L N 3.890 125.114 121.223 0.003 0.000 2.296 49 L HA 0.541 4.881 4.340 -0.000 0.000 0.286 49 L C 0.868 177.710 176.870 -0.046 0.000 1.023 49 L CA -0.143 54.689 54.840 -0.013 0.000 0.812 49 L CB 2.002 44.031 42.059 -0.050 0.000 1.223 49 L HN 0.838 nan 8.230 nan 0.000 0.421 50 S N 0.967 116.652 115.700 -0.025 0.000 2.589 50 S HA 0.237 4.707 4.470 -0.000 0.000 0.235 50 S C 0.707 175.310 174.600 0.004 0.000 1.051 50 S CA -0.578 57.596 58.200 -0.042 0.000 0.978 50 S CB 0.341 63.526 63.200 -0.025 0.000 0.929 50 S HN 0.524 nan 8.310 nan 0.000 0.523 51 R N 1.356 121.871 120.500 0.025 0.000 2.490 51 R HA 0.311 4.651 4.340 -0.000 0.000 0.278 51 R C 1.175 177.526 176.300 0.086 0.000 1.069 51 R CA -0.423 55.711 56.100 0.056 0.000 1.080 51 R CB 0.293 30.620 30.300 0.046 0.000 1.030 51 R HN 0.305 nan 8.270 nan 0.000 0.491 52 H N 2.530 121.613 119.070 0.023 0.000 2.319 52 H HA -0.173 4.383 4.556 -0.000 0.000 0.299 52 H C 1.479 176.841 175.328 0.057 0.000 1.092 52 H CA 2.502 58.571 56.048 0.035 0.000 1.302 52 H CB 0.298 30.022 29.762 -0.064 0.000 1.373 52 H HN 0.743 nan 8.280 nan 0.000 0.497 53 A N 0.978 123.887 122.820 0.148 0.000 1.902 53 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 53 A C 2.201 179.845 177.584 0.099 0.000 1.181 53 A CA 1.781 53.890 52.037 0.120 0.000 0.623 53 A CB -0.315 18.731 19.000 0.077 0.000 0.818 53 A HN 0.493 nan 8.150 nan 0.000 0.443 54 D N -0.270 120.162 120.400 0.055 0.000 2.117 54 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 54 D C 2.093 178.373 176.300 -0.032 0.000 0.982 54 D CA 1.461 55.469 54.000 0.013 0.000 0.828 54 D CB -0.479 40.323 40.800 0.004 0.000 0.967 54 D HN 0.236 nan 8.370 nan 0.000 0.464 55 V N 0.949 120.857 119.914 -0.011 0.000 2.427 55 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 55 V C 2.181 178.307 176.094 0.054 0.000 1.051 55 V CA 1.089 63.382 62.300 -0.012 0.000 1.048 55 V CB -0.422 31.433 31.823 0.052 0.000 0.666 55 V HN 0.372 nan 8.190 nan 0.000 0.456 56 W N 1.128 122.332 121.300 -0.160 0.000 2.354 56 W HA -0.222 4.438 4.660 -0.000 0.000 0.315 56 W C 2.575 179.120 176.519 0.043 0.000 1.206 56 W CA 2.112 59.397 57.345 -0.100 0.000 1.290 56 W CB -0.358 28.948 29.460 -0.257 0.000 1.152 56 W HN 0.328 nan 8.180 nan 0.000 0.489 57 S N 1.081 116.900 115.700 0.198 0.000 2.359 57 S HA -0.230 4.240 4.470 -0.000 0.000 0.223 57 S C 2.081 176.641 174.600 -0.067 0.000 1.039 57 S CA 2.077 60.325 58.200 0.081 0.000 1.042 57 S CB -1.038 62.222 63.200 0.100 0.000 0.915 57 S HN 0.385 nan 8.310 nan 0.000 0.439 58 A N 1.537 124.217 122.820 -0.235 0.000 1.902 58 A HA 0.132 4.452 4.320 -0.000 0.000 0.217 58 A C 2.380 179.761 177.584 -0.338 0.000 1.181 58 A CA 1.729 53.370 52.037 -0.660 0.000 0.623 58 A CB -1.132 17.143 19.000 -1.209 0.000 0.818 58 A HN 0.529 nan 8.150 nan 0.000 0.443 59 A N -0.118 122.597 122.820 -0.176 0.000 1.902 59 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 59 A C 2.186 179.699 177.584 -0.117 0.000 1.181 59 A CA 2.180 54.179 52.037 -0.063 0.000 0.623 59 A CB -0.447 18.562 19.000 0.016 0.000 0.818 59 A HN 0.478 nan 8.150 nan 0.000 0.443 60 R N 0.683 121.043 120.500 -0.233 0.000 2.081 60 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 60 R C 0.203 176.412 176.300 -0.152 0.000 1.131 60 R CA 1.568 57.472 56.100 -0.327 0.000 0.960 60 R CB -0.562 29.521 30.300 -0.361 0.000 0.856 60 R HN 0.370 nan 8.270 nan 0.000 0.436 61 D N 0.582 120.941 120.400 -0.069 0.000 2.608 61 D HA -0.026 4.614 4.640 -0.000 0.000 0.224 61 D C 0.472 176.775 176.300 0.006 0.000 1.123 61 D CA -0.101 53.867 54.000 -0.053 0.000 1.030 61 D CB -0.195 40.676 40.800 0.119 0.000 1.093 61 D HN 0.505 nan 8.370 nan 0.000 0.497 62 H N 0.345 119.446 119.070 0.053 0.000 2.489 62 H HA -0.082 4.474 4.556 -0.000 0.000 0.293 62 H C 1.406 176.756 175.328 0.037 0.000 1.066 62 H CA 1.128 57.210 56.048 0.057 0.000 1.305 62 H CB -0.131 29.635 29.762 0.007 0.000 1.386 62 H HN 0.226 nan 8.280 nan 0.000 0.551 63 Q N 0.299 119.967 119.800 -0.220 0.000 2.119 63 Q HA -0.028 4.312 4.340 -0.000 0.000 0.201 63 Q C 1.963 177.913 176.000 -0.084 0.000 0.972 63 Q CA 2.057 57.816 55.803 -0.073 0.000 0.847 63 Q CB 0.119 28.774 28.738 -0.138 0.000 0.903 63 Q HN 0.552 nan 8.270 nan 0.000 0.433 64 T N -0.622 113.854 114.554 -0.130 0.000 3.010 64 T HA 0.111 4.461 4.350 -0.000 0.000 0.252 64 T C -0.243 174.168 174.700 -0.482 0.000 1.047 64 T CA 0.451 62.360 62.100 -0.319 0.000 1.140 64 T CB 0.107 68.731 68.868 -0.407 0.000 0.885 64 T HN 0.018 nan 8.240 nan 0.000 0.464 65 F N 2.342 122.272 119.950 -0.033 0.000 2.291 65 F HA 0.510 5.037 4.527 0.000 0.000 0.368 65 F C 0.548 176.349 175.800 0.000 0.000 1.085 65 F CA -0.945 57.044 58.000 -0.019 0.000 1.165 65 F CB 0.756 39.744 39.000 -0.021 0.000 1.429 65 F HN -0.067 nan 8.300 nan 0.000 0.503 66 S N 0.931 116.685 115.700 0.090 0.000 2.584 66 S HA 0.252 4.722 4.470 -0.000 0.000 0.273 66 S C 1.032 175.651 174.600 0.031 0.000 1.311 66 S CA -0.477 57.761 58.200 0.064 0.000 1.034 66 S CB 1.051 64.264 63.200 0.022 0.000 0.939 66 S HN 0.511 nan 8.310 nan 0.000 0.513 67 S N 3.299 118.998 115.700 -0.001 0.000 2.556 67 S HA 0.202 4.672 4.470 -0.000 0.000 0.216 67 S C 1.714 176.268 174.600 -0.077 0.000 0.970 67 S CA 0.236 58.383 58.200 -0.089 0.000 0.912 67 S CB 0.086 63.138 63.200 -0.246 0.000 0.790 67 S HN 0.813 nan 8.310 nan 0.000 0.504 68 A N 1.012 123.811 122.820 -0.036 0.000 2.119 68 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 68 A C 1.853 179.419 177.584 -0.031 0.000 1.153 68 A CA 0.807 52.826 52.037 -0.031 0.000 0.692 68 A CB -0.075 18.919 19.000 -0.010 0.000 0.799 68 A HN 0.295 nan 8.150 nan 0.000 0.458 69 Q N -0.721 119.058 119.800 -0.036 0.000 2.319 69 Q HA 0.339 4.679 4.340 -0.000 0.000 0.202 69 Q C 0.758 176.717 176.000 -0.070 0.000 0.896 69 Q CA 0.736 56.519 55.803 -0.034 0.000 0.942 69 Q CB 0.321 29.045 28.738 -0.023 0.000 1.083 69 Q HN 0.782 nan 8.270 nan 0.000 0.510 70 G N 0.131 108.875 108.800 -0.093 0.000 2.423 70 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.684 70 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.684 70 G C -0.480 174.319 174.900 -0.169 0.000 1.309 70 G CA -0.743 44.280 45.100 -0.128 0.000 0.950 70 G HN 0.124 nan 8.290 nan 0.000 0.587 71 L N 0.634 121.728 121.223 -0.215 0.000 3.016 71 L HA 0.316 4.656 4.340 -0.000 0.000 0.267 71 L C 1.586 178.214 176.870 -0.403 0.000 1.182 71 L CA 0.480 55.163 54.840 -0.261 0.000 0.997 71 L CB 0.436 42.350 42.059 -0.241 0.000 1.354 71 L HN 0.922 nan 8.230 nan 0.000 0.569 72 T N -3.085 111.219 114.554 -0.416 0.000 2.923 72 T HA 0.292 4.641 4.350 -0.000 0.000 0.281 72 T C 1.092 175.614 174.700 -0.296 0.000 0.995 72 T CA -0.157 61.660 62.100 -0.472 0.000 0.985 72 T CB 1.882 70.539 68.868 -0.353 0.000 1.114 72 T HN -0.094 nan 8.240 nan 0.000 0.548 73 V N -1.367 118.419 119.914 -0.212 0.000 3.573 73 V HA 0.263 4.383 4.120 -0.000 0.000 0.270 73 V C 0.244 176.048 176.094 -0.483 0.000 1.221 73 V CA -0.292 61.699 62.300 -0.514 0.000 1.163 73 V CB -1.416 29.842 31.823 -0.943 0.000 0.847 73 V HN 0.677 nan 8.190 nan 0.000 0.468 74 N N 1.657 120.196 118.700 -0.268 0.000 2.401 74 N HA 0.273 5.013 4.740 -0.000 0.000 0.255 74 N C -0.683 174.663 175.510 -0.274 0.000 1.110 74 N CA -0.073 52.900 53.050 -0.129 0.000 0.949 74 N CB 0.428 38.929 38.487 0.023 0.000 1.110 74 N HN 0.470 nan 8.380 nan 0.000 0.490 75 Y N 0.390 120.473 120.300 -0.363 0.000 2.578 75 Y HA 0.183 4.733 4.550 -0.000 0.000 0.339 75 Y C 1.888 177.670 175.900 -0.197 0.000 1.231 75 Y CA 1.041 58.883 58.100 -0.431 0.000 1.461 75 Y CB 0.576 38.500 38.460 -0.894 0.000 1.323 75 Y HN 0.772 nan 8.280 nan 0.000 0.590 76 G N 0.986 109.811 108.800 0.042 0.000 2.176 76 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.253 76 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.253 76 G C 1.176 176.098 174.900 0.036 0.000 0.979 76 G CA 0.579 45.718 45.100 0.065 0.000 0.641 76 G HN 0.717 nan 8.290 nan 0.000 0.530 77 E N -0.225 119.972 120.200 -0.004 0.000 2.068 77 E HA -0.232 4.118 4.350 -0.000 0.000 0.207 77 E C 2.428 179.022 176.600 -0.009 0.000 1.032 77 E CA 1.880 58.267 56.400 -0.021 0.000 0.839 77 E CB -0.235 29.417 29.700 -0.079 0.000 0.758 77 E HN 0.567 nan 8.360 nan 0.000 0.457 78 L N 0.937 122.156 121.223 -0.007 0.000 2.012 78 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 78 L C 2.410 179.300 176.870 0.033 0.000 1.073 78 L CA 2.364 57.211 54.840 0.011 0.000 0.748 78 L CB -0.464 41.615 42.059 0.034 0.000 0.891 78 L HN 0.235 nan 8.230 nan 0.000 0.431 79 E N -1.499 118.723 120.200 0.037 0.000 2.086 79 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 79 E C 2.072 178.687 176.600 0.024 0.000 0.975 79 E CA 1.043 57.463 56.400 0.033 0.000 0.813 79 E CB -0.107 29.603 29.700 0.017 0.000 0.768 79 E HN 0.257 nan 8.360 nan 0.000 0.457 80 M N 0.419 120.036 119.600 0.029 0.000 2.159 80 M HA -0.080 4.399 4.480 -0.000 0.000 0.263 80 M C 2.366 178.678 176.300 0.019 0.000 1.063 80 M CA 1.174 56.492 55.300 0.030 0.000 1.110 80 M CB -0.695 31.933 32.600 0.046 0.000 1.374 80 M HN 0.289 nan 8.290 nan 0.000 0.411 81 I N -0.652 119.925 120.570 0.011 0.000 2.876 81 I HA 0.017 4.187 4.170 -0.000 0.000 0.264 81 I C 0.713 176.826 176.117 -0.006 0.000 1.204 81 I CA 1.140 62.440 61.300 -0.000 0.000 1.485 81 I CB -0.058 37.936 38.000 -0.010 0.000 1.103 81 I HN 0.505 nan 8.210 nan 0.000 0.446 82 G N 1.793 110.596 108.800 0.004 0.000 2.207 82 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 82 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 82 G C 0.029 174.931 174.900 0.004 0.000 1.053 82 G CA 0.049 45.153 45.100 0.006 0.000 0.764 82 G HN 0.286 nan 8.290 nan 0.000 0.495 83 L N 0.073 121.304 121.223 0.013 0.000 2.959 83 L HA 0.371 4.711 4.340 -0.000 0.000 0.259 83 L C 1.831 178.705 176.870 0.006 0.000 1.185 83 L CA 0.624 55.459 54.840 -0.008 0.000 0.998 83 L CB -0.483 41.558 42.059 -0.030 0.000 1.337 83 L HN 0.559 nan 8.230 nan 0.000 0.555 84 H N -0.209 118.843 119.070 -0.030 0.000 2.293 84 H HA -0.151 4.405 4.556 -0.000 0.000 0.300 84 H C 1.411 176.723 175.328 -0.026 0.000 1.082 84 H CA 2.440 58.473 56.048 -0.025 0.000 1.308 84 H CB 0.491 30.243 29.762 -0.017 0.000 1.375 84 H HN 0.236 nan 8.280 nan 0.000 0.495 85 D N -0.510 119.889 120.400 -0.002 0.000 2.144 85 D HA -0.035 4.605 4.640 -0.000 0.000 0.200 85 D C 0.298 176.527 176.300 -0.117 0.000 0.978 85 D CA 1.517 55.491 54.000 -0.044 0.000 0.833 85 D CB 0.012 40.854 40.800 0.071 0.000 0.961 85 D HN 0.320 nan 8.370 nan 0.000 0.470 86 T N 2.422 116.920 114.554 -0.094 0.000 3.209 86 T HA 0.268 4.618 4.350 -0.000 0.000 0.366 86 T C -2.632 172.003 174.700 -0.108 0.000 1.293 86 T CA -1.195 60.846 62.100 -0.099 0.000 1.417 86 T CB 2.285 71.116 68.868 -0.061 0.000 1.013 86 T HN -0.031 nan 8.240 nan 0.000 0.572 87 P HA 0.401 nan 4.420 nan 0.000 0.276 87 P C -2.647 174.580 177.300 -0.122 0.000 1.244 87 P CA -1.684 61.349 63.100 -0.111 0.000 0.801 87 P CB 0.153 31.785 31.700 -0.113 0.000 1.006 88 P HA 0.073 nan 4.420 nan 0.000 0.272 88 P C 1.234 178.497 177.300 -0.061 0.000 1.240 88 P CA -0.168 62.895 63.100 -0.061 0.000 0.791 88 P CB 0.486 32.185 31.700 -0.002 0.000 0.978 89 M N 1.102 120.683 119.600 -0.032 0.000 2.279 89 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 89 M C 1.208 177.659 176.300 0.251 0.000 1.062 89 M CA 2.093 57.443 55.300 0.083 0.000 1.099 89 M CB -1.241 31.458 32.600 0.164 0.000 1.394 89 M HN 0.059 nan 8.290 nan 0.000 0.426 90 V N -1.909 118.083 119.914 0.131 0.000 3.380 90 V HA 0.039 4.159 4.120 -0.000 0.000 0.268 90 V C 1.482 177.475 176.094 -0.168 0.000 1.168 90 V CA 0.895 63.185 62.300 -0.017 0.000 1.156 90 V CB -1.020 30.774 31.823 -0.048 0.000 0.785 90 V HN 0.626 nan 8.190 nan 0.000 0.487 91 M N 0.328 119.891 119.600 -0.061 0.000 2.673 91 M HA 0.413 4.893 4.480 -0.000 0.000 0.334 91 M C -0.107 176.174 176.300 -0.032 0.000 1.211 91 M CA 0.224 55.475 55.300 -0.082 0.000 0.962 91 M CB 0.520 33.072 32.600 -0.081 0.000 1.343 91 M HN 0.384 nan 8.290 nan 0.000 0.511 92 Q N 0.241 120.073 119.800 0.053 0.000 2.345 92 Q HA 0.411 4.751 4.340 -0.000 0.000 0.268 92 Q C -1.073 174.987 176.000 0.101 0.000 1.054 92 Q CA -0.843 55.004 55.803 0.074 0.000 0.835 92 Q CB 2.298 31.099 28.738 0.105 0.000 1.339 92 Q HN 0.071 nan 8.270 nan 0.000 0.447 93 D N 1.429 121.856 120.400 0.046 0.000 2.272 93 D HA 0.381 5.021 4.640 -0.000 0.000 0.247 93 D C -2.438 173.844 176.300 -0.030 0.000 0.990 93 D CA -1.822 52.174 54.000 -0.007 0.000 0.931 93 D CB 1.163 41.978 40.800 0.026 0.000 1.195 93 D HN 0.148 nan 8.370 nan 0.000 0.477 94 P HA 0.102 nan 4.420 nan 0.000 0.269 94 P C -1.666 175.613 177.300 -0.036 0.000 1.209 94 P CA -0.786 62.242 63.100 -0.120 0.000 0.776 94 P CB 0.198 31.699 31.700 -0.332 0.000 0.876 95 P HA -0.024 nan 4.420 nan 0.000 0.230 95 P C 1.191 178.498 177.300 0.011 0.000 1.168 95 P CA 0.602 63.700 63.100 -0.003 0.000 0.793 95 P CB 0.088 31.791 31.700 0.004 0.000 0.851 96 V N 0.678 120.605 119.914 0.021 0.000 2.332 96 V HA -0.259 3.860 4.120 -0.000 0.000 0.248 96 V C 2.711 178.837 176.094 0.053 0.000 1.055 96 V CA 2.338 64.653 62.300 0.026 0.000 1.038 96 V CB -1.707 30.122 31.823 0.010 0.000 0.651 96 V HN 0.240 nan 8.190 nan 0.000 0.450 97 H N 0.406 119.449 119.070 -0.044 0.000 2.421 97 H HA -0.146 4.410 4.556 -0.000 0.000 0.298 97 H C 2.215 177.526 175.328 -0.028 0.000 1.087 97 H CA 2.079 58.104 56.048 -0.038 0.000 1.330 97 H CB -0.165 29.537 29.762 -0.101 0.000 1.388 97 H HN 0.401 nan 8.280 nan 0.000 0.526 98 T N 0.021 114.543 114.554 -0.055 0.000 2.674 98 T HA -0.189 4.161 4.350 -0.000 0.000 0.265 98 T C 1.814 176.437 174.700 -0.128 0.000 1.039 98 T CA 1.629 63.663 62.100 -0.110 0.000 1.150 98 T CB -0.253 68.589 68.868 -0.043 0.000 0.864 98 T HN 0.364 nan 8.240 nan 0.000 0.427 99 E N 0.644 120.807 120.200 -0.062 0.000 2.072 99 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 99 E C 1.778 178.341 176.600 -0.063 0.000 0.985 99 E CA 0.982 57.351 56.400 -0.051 0.000 0.801 99 E CB -0.584 29.109 29.700 -0.012 0.000 0.750 99 E HN 0.494 nan 8.360 nan 0.000 0.452 100 F N 1.004 120.850 119.950 -0.174 0.000 2.102 100 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 100 F C 2.520 178.168 175.800 -0.252 0.000 1.105 100 F CA 1.992 59.880 58.000 -0.186 0.000 1.239 100 F CB -0.158 38.748 39.000 -0.157 0.000 0.991 100 F HN -0.033 nan 8.300 nan 0.000 0.474 101 R N 0.746 121.143 120.500 -0.172 0.000 2.105 101 R HA -0.213 4.127 4.340 -0.000 0.000 0.239 101 R C 2.469 178.621 176.300 -0.246 0.000 1.135 101 R CA 1.765 57.699 56.100 -0.277 0.000 0.967 101 R CB -0.398 29.607 30.300 -0.493 0.000 0.861 101 R HN 0.268 nan 8.270 nan 0.000 0.442 102 K N 0.602 120.875 120.400 -0.212 0.000 2.063 102 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 102 K C 2.013 178.491 176.600 -0.203 0.000 1.048 102 K CA 1.598 57.784 56.287 -0.169 0.000 0.928 102 K CB -0.108 32.315 32.500 -0.128 0.000 0.713 102 K HN 0.251 nan 8.250 nan 0.000 0.442 103 L N 0.876 121.935 121.223 -0.272 0.000 2.072 103 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 103 L C 2.486 179.150 176.870 -0.343 0.000 1.079 103 L CA 1.030 55.688 54.840 -0.303 0.000 0.752 103 L CB -0.518 41.318 42.059 -0.372 0.000 0.906 103 L HN 0.128 nan 8.230 nan 0.000 0.436 104 V N -3.556 116.084 119.914 -0.456 0.000 2.871 104 V HA -0.095 4.025 4.120 -0.000 0.000 0.256 104 V C 2.539 178.633 176.094 -0.001 0.000 1.082 104 V CA 1.280 63.371 62.300 -0.348 0.000 1.105 104 V CB -0.634 30.811 31.823 -0.630 0.000 0.713 104 V HN 0.499 nan 8.190 nan 0.000 0.473 105 S N 1.046 116.719 115.700 -0.045 0.000 2.474 105 S HA -0.145 4.325 4.470 -0.000 0.000 0.235 105 S C 1.999 176.635 174.600 0.060 0.000 0.997 105 S CA 1.129 59.385 58.200 0.093 0.000 0.949 105 S CB -0.739 62.440 63.200 -0.034 0.000 0.766 105 S HN 0.665 nan 8.310 nan 0.000 0.517 106 R N 0.919 121.316 120.500 -0.172 0.000 2.200 106 R HA -0.008 4.332 4.340 -0.000 0.000 0.234 106 R C 2.243 178.344 176.300 -0.331 0.000 1.127 106 R CA 1.127 56.979 56.100 -0.413 0.000 0.989 106 R CB -0.711 29.006 30.300 -0.972 0.000 0.869 106 R HN 0.595 nan 8.270 nan 0.000 0.459 107 G N -0.404 108.317 108.800 -0.131 0.000 2.985 107 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.209 107 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.209 107 G C 0.000 174.728 174.900 -0.287 0.000 1.165 107 G CA -0.243 44.775 45.100 -0.138 0.000 0.776 107 G HN 0.096 nan 8.290 nan 0.000 0.541 108 F N 2.072 122.084 119.950 0.103 0.000 2.449 108 F HA 0.375 4.902 4.527 -0.000 0.000 0.344 108 F C 0.507 176.371 175.800 0.108 0.000 1.180 108 F CA -0.841 57.279 58.000 0.200 0.000 1.209 108 F CB 1.139 40.220 39.000 0.134 0.000 1.440 108 F HN -0.019 nan 8.300 nan 0.000 0.526 109 T N -2.110 112.558 114.554 0.190 0.000 2.907 109 T HA 0.441 4.791 4.350 -0.000 0.000 0.290 109 T C -2.206 172.564 174.700 0.116 0.000 1.066 109 T CA -2.397 59.775 62.100 0.120 0.000 1.012 109 T CB 2.173 71.073 68.868 0.053 0.000 1.184 109 T HN -0.119 nan 8.240 nan 0.000 0.522 110 P HA -0.128 nan 4.420 nan 0.000 0.216 110 P C 1.629 178.969 177.300 0.066 0.000 1.150 110 P CA 1.034 64.181 63.100 0.079 0.000 0.843 110 P CB 0.026 31.759 31.700 0.056 0.000 0.787 111 R N 0.013 120.541 120.500 0.046 0.000 2.105 111 R HA -0.218 4.122 4.340 -0.000 0.000 0.239 111 R C 2.045 178.363 176.300 0.029 0.000 1.135 111 R CA 1.722 57.840 56.100 0.031 0.000 0.967 111 R CB -0.455 29.855 30.300 0.016 0.000 0.861 111 R HN 0.117 nan 8.270 nan 0.000 0.442 112 Q N 0.018 119.821 119.800 0.005 0.000 2.119 112 Q HA -0.110 4.230 4.340 -0.000 0.000 0.201 112 Q C 2.126 178.158 176.000 0.054 0.000 0.972 112 Q CA 1.852 57.617 55.803 -0.064 0.000 0.847 112 Q CB -0.099 28.405 28.738 -0.391 0.000 0.903 112 Q HN 0.443 nan 8.270 nan 0.000 0.433 113 V N -2.002 117.998 119.914 0.143 0.000 2.453 113 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 113 V C 1.652 177.793 176.094 0.078 0.000 1.048 113 V CA 1.744 64.158 62.300 0.189 0.000 1.049 113 V CB -0.583 31.354 31.823 0.189 0.000 0.672 113 V HN 0.224 nan 8.190 nan 0.000 0.457 114 E N 1.456 121.691 120.200 0.058 0.000 2.106 114 E HA -0.146 4.203 4.350 -0.000 0.000 0.192 114 E C 2.410 179.010 176.600 0.000 0.000 0.984 114 E CA 1.913 58.331 56.400 0.030 0.000 0.806 114 E CB -0.365 29.354 29.700 0.032 0.000 0.750 114 E HN 0.891 nan 8.360 nan 0.000 0.458 115 T N -1.291 113.262 114.554 -0.003 0.000 2.915 115 T HA -0.060 4.290 4.350 -0.000 0.000 0.269 115 T C 1.887 176.501 174.700 -0.143 0.000 1.071 115 T CA 0.684 62.769 62.100 -0.025 0.000 1.132 115 T CB 0.038 68.941 68.868 0.058 0.000 0.878 115 T HN 0.029 nan 8.240 nan 0.000 0.479 116 V N 0.793 120.525 119.914 -0.303 0.000 3.590 116 V HA 0.183 4.303 4.120 -0.000 0.000 0.265 116 V C 2.391 178.411 176.094 -0.124 0.000 1.239 116 V CA 0.854 62.922 62.300 -0.387 0.000 1.117 116 V CB -0.052 31.271 31.823 -0.833 0.000 0.818 116 V HN 0.579 nan 8.190 nan 0.000 0.451 117 E N 0.955 121.120 120.200 -0.058 0.000 2.085 117 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 117 E C -0.445 176.164 176.600 0.015 0.000 0.994 117 E CA 1.864 58.264 56.400 -0.000 0.000 0.801 117 E CB -0.633 29.078 29.700 0.018 0.000 0.743 117 E HN 0.528 nan 8.360 nan 0.000 0.453 118 P HA -0.108 nan 4.420 nan 0.000 0.216 118 P C 1.122 178.449 177.300 0.044 0.000 1.150 118 P CA 1.620 64.734 63.100 0.024 0.000 0.837 118 P CB -0.055 31.652 31.700 0.012 0.000 0.786 119 T N -0.978 113.602 114.554 0.044 0.000 2.821 119 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 119 T C 1.855 176.631 174.700 0.127 0.000 1.046 119 T CA 0.940 63.096 62.100 0.093 0.000 1.139 119 T CB -0.946 68.001 68.868 0.131 0.000 0.871 119 T HN -0.109 nan 8.240 nan 0.000 0.454 120 V N 1.473 121.441 119.914 0.090 0.000 2.343 120 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 120 V C 2.657 178.842 176.094 0.152 0.000 1.051 120 V CA 1.721 64.091 62.300 0.116 0.000 1.036 120 V CB -0.546 31.320 31.823 0.071 0.000 0.654 120 V HN 0.361 nan 8.190 nan 0.000 0.451 121 R N 0.094 120.656 120.500 0.103 0.000 2.081 121 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 121 R C 2.447 178.802 176.300 0.090 0.000 1.131 121 R CA 1.941 58.093 56.100 0.086 0.000 0.960 121 R CB -0.248 30.087 30.300 0.058 0.000 0.856 121 R HN 0.427 nan 8.270 nan 0.000 0.436 122 K N -0.515 119.946 120.400 0.102 0.000 2.063 122 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 122 K C 1.913 178.589 176.600 0.127 0.000 1.048 122 K CA 1.631 57.976 56.287 0.097 0.000 0.928 122 K CB -0.228 32.329 32.500 0.096 0.000 0.713 122 K HN 0.118 nan 8.250 nan 0.000 0.442 123 F N 0.952 120.922 119.950 0.032 0.000 2.113 123 F HA -0.198 4.329 4.527 -0.000 0.000 0.297 123 F C 1.876 177.682 175.800 0.010 0.000 1.103 123 F CA 1.119 59.136 58.000 0.028 0.000 1.248 123 F CB -0.399 38.628 39.000 0.045 0.000 0.999 123 F HN -0.225 nan 8.300 nan 0.000 0.475 124 V N -0.183 119.758 119.914 0.045 0.000 2.252 124 V HA -0.363 3.756 4.120 -0.000 0.000 0.249 124 V C 2.443 178.463 176.094 -0.124 0.000 1.056 124 V CA 1.901 64.169 62.300 -0.053 0.000 1.022 124 V CB -1.122 30.734 31.823 0.055 0.000 0.641 124 V HN 0.274 nan 8.190 nan 0.000 0.445 125 V N -0.050 119.829 119.914 -0.059 0.000 2.252 125 V HA -0.349 3.771 4.120 -0.000 0.000 0.249 125 V C 2.448 178.481 176.094 -0.102 0.000 1.056 125 V CA 2.512 64.778 62.300 -0.056 0.000 1.022 125 V CB -0.788 31.026 31.823 -0.015 0.000 0.641 125 V HN 0.654 nan 8.190 nan 0.000 0.445 126 E N -0.515 119.605 120.200 -0.134 0.000 2.118 126 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 126 E C 2.462 178.926 176.600 -0.227 0.000 0.992 126 E CA 1.065 57.371 56.400 -0.157 0.000 0.804 126 E CB -0.157 29.457 29.700 -0.144 0.000 0.741 126 E HN 0.426 nan 8.360 nan 0.000 0.458 127 R N 0.310 120.595 120.500 -0.359 0.000 2.100 127 R HA 0.057 4.397 4.340 -0.000 0.000 0.220 127 R C 2.429 178.586 176.300 -0.238 0.000 1.091 127 R CA 0.526 56.410 56.100 -0.360 0.000 0.986 127 R CB -0.564 29.405 30.300 -0.551 0.000 0.888 127 R HN 0.248 nan 8.270 nan 0.000 0.444 128 L N 1.132 122.233 121.223 -0.203 0.000 2.131 128 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 128 L C 2.146 178.987 176.870 -0.050 0.000 1.092 128 L CA 1.160 55.929 54.840 -0.118 0.000 0.759 128 L CB -0.266 41.743 42.059 -0.083 0.000 0.903 128 L HN 0.088 nan 8.230 nan 0.000 0.435 129 E N 0.389 120.550 120.200 -0.064 0.000 2.152 129 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 129 E C 2.456 179.033 176.600 -0.037 0.000 0.983 129 E CA 1.393 57.772 56.400 -0.036 0.000 0.818 129 E CB -0.093 29.586 29.700 -0.035 0.000 0.758 129 E HN 0.478 nan 8.360 nan 0.000 0.467 130 K N 1.350 121.711 120.400 -0.065 0.000 2.025 130 K HA -0.043 4.277 4.320 -0.000 0.000 0.207 130 K C 2.334 178.915 176.600 -0.032 0.000 1.049 130 K CA 1.114 57.368 56.287 -0.055 0.000 0.933 130 K CB -1.122 31.329 32.500 -0.081 0.000 0.714 130 K HN 0.052 nan 8.250 nan 0.000 0.438 131 L N 0.197 121.403 121.223 -0.028 0.000 1.971 131 L HA -0.271 4.069 4.340 -0.000 0.000 0.215 131 L C 3.402 180.305 176.870 0.054 0.000 1.072 131 L CA 2.324 57.188 54.840 0.040 0.000 0.758 131 L CB -0.879 41.245 42.059 0.109 0.000 0.889 131 L HN 0.607 nan 8.230 nan 0.000 0.433 132 R N 0.212 120.744 120.500 0.053 0.000 2.112 132 R HA -0.206 4.134 4.340 -0.000 0.000 0.242 132 R C 2.292 178.597 176.300 0.008 0.000 1.137 132 R CA 2.071 58.192 56.100 0.034 0.000 0.944 132 R CB -1.942 28.377 30.300 0.032 0.000 0.857 132 R HN 0.551 nan 8.270 nan 0.000 0.435 133 A N 1.166 123.987 122.820 0.001 0.000 1.978 133 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 133 A C 1.761 179.340 177.584 -0.008 0.000 1.170 133 A CA 1.542 53.575 52.037 -0.006 0.000 0.636 133 A CB -0.216 18.778 19.000 -0.010 0.000 0.810 133 A HN 0.626 nan 8.150 nan 0.000 0.448 134 N N -0.850 117.847 118.700 -0.006 0.000 2.336 134 N HA 0.158 4.898 4.740 -0.000 0.000 0.189 134 N C 1.096 176.598 175.510 -0.013 0.000 1.113 134 N CA 0.901 53.946 53.050 -0.009 0.000 0.858 134 N CB 0.217 38.700 38.487 -0.007 0.000 0.970 134 N HN 0.601 nan 8.380 nan 0.000 0.471 135 G N 0.159 108.948 108.800 -0.018 0.000 2.203 135 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.263 135 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.263 135 G C 0.562 175.427 174.900 -0.059 0.000 1.012 135 G CA 0.909 45.986 45.100 -0.039 0.000 0.749 135 G HN 0.806 nan 8.290 nan 0.000 0.512 136 G N -2.587 106.201 108.800 -0.021 0.000 2.270 136 G HA2 0.651 4.611 3.960 -0.000 0.000 0.268 136 G HA3 0.651 4.611 3.960 -0.000 0.000 0.268 136 G C 0.498 175.441 174.900 0.072 0.000 1.312 136 G CA 0.936 46.043 45.100 0.011 0.000 1.050 136 G HN 2.557 nan 8.290 nan 0.000 0.474 137 G N -1.327 107.537 108.800 0.107 0.000 2.356 137 G HA2 0.490 4.450 3.960 -0.000 0.000 0.288 137 G HA3 0.490 4.450 3.960 -0.000 0.000 0.288 137 G C -1.969 172.967 174.900 0.060 0.000 1.302 137 G CA 0.452 45.584 45.100 0.052 0.000 0.887 137 G HN 1.131 nan 8.290 nan 0.000 0.521 138 D N 0.304 120.695 120.400 -0.014 0.000 2.365 138 D HA 0.248 4.887 4.640 -0.000 0.000 0.237 138 D C 1.446 177.643 176.300 -0.172 0.000 1.190 138 D CA -0.426 53.539 54.000 -0.058 0.000 0.867 138 D CB 1.183 41.946 40.800 -0.061 0.000 1.050 138 D HN 0.382 nan 8.370 nan 0.000 0.491 139 I N 3.779 124.177 120.570 -0.286 0.000 2.614 139 I HA -0.200 3.970 4.170 -0.000 0.000 0.258 139 I C 1.557 177.281 176.117 -0.656 0.000 1.189 139 I CA 0.545 61.446 61.300 -0.665 0.000 1.462 139 I CB 0.479 37.766 38.000 -1.189 0.000 1.092 139 I HN 0.236 nan 8.210 nan 0.000 0.442 140 V N 0.924 120.647 119.914 -0.320 0.000 2.255 140 V HA -0.262 3.858 4.120 -0.000 0.000 0.243 140 V C 2.657 178.685 176.094 -0.109 0.000 1.038 140 V CA 2.414 64.638 62.300 -0.127 0.000 1.008 140 V CB -1.097 30.698 31.823 -0.047 0.000 0.645 140 V HN 0.621 nan 8.190 nan 0.000 0.449 141 T N -2.122 112.368 114.554 -0.105 0.000 2.821 141 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 141 T C 1.685 176.341 174.700 -0.072 0.000 1.046 141 T CA 1.318 63.378 62.100 -0.066 0.000 1.139 141 T CB -0.282 68.555 68.868 -0.052 0.000 0.871 141 T HN 0.376 nan 8.240 nan 0.000 0.454 142 E N 0.233 120.352 120.200 -0.136 0.000 2.216 142 E HA 0.159 4.509 4.350 -0.000 0.000 0.192 142 E C 1.666 178.159 176.600 -0.178 0.000 0.988 142 E CA 0.597 56.906 56.400 -0.151 0.000 0.834 142 E CB 0.163 29.747 29.700 -0.192 0.000 0.772 142 E HN 0.481 nan 8.360 nan 0.000 0.479 143 L N -2.240 118.849 121.223 -0.223 0.000 2.437 143 L HA 0.144 4.484 4.340 -0.000 0.000 0.188 143 L C 1.287 178.210 176.870 0.088 0.000 1.123 143 L CA 0.494 55.232 54.840 -0.169 0.000 0.981 143 L CB -0.471 41.326 42.059 -0.437 0.000 1.935 143 L HN -0.181 nan 8.230 nan 0.000 0.494 144 F N 1.178 121.094 119.950 -0.056 0.000 2.456 144 F HA 0.121 4.648 4.527 -0.000 0.000 0.298 144 F C 2.380 178.165 175.800 -0.025 0.000 1.104 144 F CA 1.158 59.130 58.000 -0.047 0.000 1.435 144 F CB -0.742 38.198 39.000 -0.100 0.000 1.078 144 F HN 0.201 nan 8.300 nan 0.000 0.546 145 K N 1.136 121.626 120.400 0.149 0.000 1.991 145 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 145 K C -0.706 175.929 176.600 0.059 0.000 1.045 145 K CA 1.206 57.536 56.287 0.072 0.000 0.937 145 K CB -1.190 31.328 32.500 0.029 0.000 0.720 145 K HN 0.018 nan 8.250 nan 0.000 0.438 146 P HA -0.144 nan 4.420 nan 0.000 0.219 146 P C 1.524 178.796 177.300 -0.046 0.000 1.150 146 P CA 0.817 63.944 63.100 0.046 0.000 0.814 146 P CB -0.037 31.773 31.700 0.184 0.000 0.787 147 L N 1.734 123.021 121.223 0.106 0.000 1.989 147 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 147 L C -0.866 175.961 176.870 -0.073 0.000 1.071 147 L CA 2.829 57.690 54.840 0.035 0.000 0.749 147 L CB -2.439 39.786 42.059 0.277 0.000 0.890 147 L HN -0.004 nan 8.230 nan 0.000 0.431 148 P HA -0.121 nan 4.420 nan 0.000 0.220 148 P C 1.956 179.205 177.300 -0.086 0.000 1.148 148 P CA 1.524 64.598 63.100 -0.043 0.000 0.803 148 P CB -0.132 31.555 31.700 -0.021 0.000 0.782 149 S N -0.784 114.846 115.700 -0.117 0.000 2.382 149 S HA -0.136 4.333 4.470 -0.000 0.000 0.228 149 S C 1.888 176.366 174.600 -0.205 0.000 1.027 149 S CA 1.234 59.363 58.200 -0.118 0.000 0.991 149 S CB -0.817 62.290 63.200 -0.155 0.000 0.823 149 S HN -0.002 nan 8.310 nan 0.000 0.469 150 M N 0.445 119.812 119.600 -0.388 0.000 2.117 150 M HA -0.070 4.410 4.480 -0.000 0.000 0.262 150 M C 2.100 178.003 176.300 -0.662 0.000 1.065 150 M CA 1.280 56.111 55.300 -0.782 0.000 1.114 150 M CB -0.573 31.655 32.600 -0.620 0.000 1.361 150 M HN 0.198 nan 8.290 nan 0.000 0.408 151 V N -0.258 119.494 119.914 -0.270 0.000 2.358 151 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 151 V C 2.405 178.571 176.094 0.120 0.000 1.047 151 V CA 1.470 63.755 62.300 -0.025 0.000 1.035 151 V CB -0.625 31.231 31.823 0.054 0.000 0.658 151 V HN 0.272 nan 8.190 nan 0.000 0.452 152 V N 0.494 120.424 119.914 0.027 0.000 2.287 152 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 152 V C 2.755 178.850 176.094 0.003 0.000 1.053 152 V CA 2.195 64.538 62.300 0.072 0.000 1.027 152 V CB -1.227 30.646 31.823 0.084 0.000 0.646 152 V HN 0.567 nan 8.190 nan 0.000 0.447 153 A N -0.397 122.293 122.820 -0.217 0.000 1.883 153 A HA -0.341 3.979 4.320 -0.000 0.000 0.217 153 A C 2.107 179.562 177.584 -0.216 0.000 1.186 153 A CA 2.502 54.182 52.037 -0.596 0.000 0.624 153 A CB -0.953 17.325 19.000 -1.204 0.000 0.822 153 A HN 0.778 nan 8.150 nan 0.000 0.444 154 H N -1.935 116.990 119.070 -0.243 0.000 2.319 154 H HA -0.222 4.334 4.556 -0.000 0.000 0.297 154 H C 1.699 176.975 175.328 -0.088 0.000 1.097 154 H CA 2.403 58.446 56.048 -0.009 0.000 1.285 154 H CB -0.442 29.297 29.762 -0.039 0.000 1.368 154 H HN 0.556 nan 8.280 nan 0.000 0.495 155 Y N -0.311 119.891 120.300 -0.163 0.000 2.421 155 Y HA -0.017 4.532 4.550 -0.000 0.000 0.292 155 Y C 2.043 177.843 175.900 -0.167 0.000 1.136 155 Y CA 0.770 58.707 58.100 -0.272 0.000 1.255 155 Y CB 0.132 38.472 38.460 -0.201 0.000 0.991 155 Y HN 0.218 nan 8.280 nan 0.000 0.552 156 L N -1.282 119.972 121.223 0.052 0.000 2.592 156 L HA 0.191 4.531 4.340 -0.000 0.000 0.227 156 L C 1.602 178.552 176.870 0.133 0.000 1.127 156 L CA 0.593 55.504 54.840 0.118 0.000 0.884 156 L CB -0.413 41.711 42.059 0.108 0.000 1.065 156 L HN 0.353 nan 8.230 nan 0.000 0.457 157 G N 0.576 109.385 108.800 0.016 0.000 2.160 157 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.251 157 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.251 157 G C 0.203 175.161 174.900 0.096 0.000 1.008 157 G CA 0.135 45.252 45.100 0.028 0.000 0.724 157 G HN 0.132 nan 8.290 nan 0.000 0.514 158 V N 1.496 121.491 119.914 0.135 0.000 2.488 158 V HA 0.315 4.434 4.120 -0.000 0.000 0.277 158 V C -1.257 174.999 176.094 0.270 0.000 1.046 158 V CA -1.274 61.126 62.300 0.166 0.000 0.986 158 V CB 1.216 33.009 31.823 -0.049 0.000 0.989 158 V HN 0.139 nan 8.190 nan 0.000 0.475 159 P HA 0.052 nan 4.420 nan 0.000 0.264 159 P C 0.886 178.002 177.300 -0.307 0.000 1.193 159 P CA 0.158 63.233 63.100 -0.041 0.000 0.763 159 P CB 0.497 32.182 31.700 -0.025 0.000 0.810 160 E N 2.353 122.116 120.200 -0.728 0.000 2.233 160 E HA -0.283 4.067 4.350 -0.000 0.000 0.199 160 E C 1.370 177.521 176.600 -0.748 0.000 1.004 160 E CA 1.489 57.002 56.400 -1.478 0.000 0.819 160 E CB 0.043 29.016 29.700 -1.212 0.000 0.738 160 E HN 0.674 nan 8.360 nan 0.000 0.478 161 E N 0.426 120.404 120.200 -0.370 0.000 2.347 161 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 161 E C 0.902 177.437 176.600 -0.107 0.000 1.008 161 E CA 0.903 57.190 56.400 -0.188 0.000 0.852 161 E CB 0.108 29.737 29.700 -0.117 0.000 0.783 161 E HN 0.123 nan 8.360 nan 0.000 0.505 162 D N -0.514 119.839 120.400 -0.079 0.000 2.369 162 D HA -0.002 4.638 4.640 -0.000 0.000 0.211 162 D C 0.578 176.902 176.300 0.040 0.000 1.077 162 D CA -0.023 53.954 54.000 -0.039 0.000 0.842 162 D CB -0.064 40.721 40.800 -0.025 0.000 0.947 162 D HN 0.279 nan 8.370 nan 0.000 0.509 163 W N 1.462 122.677 121.300 -0.142 0.000 2.402 163 W HA -0.051 4.609 4.660 -0.000 0.000 0.286 163 W C 2.145 178.593 176.519 -0.119 0.000 1.221 163 W CA 0.675 57.963 57.345 -0.094 0.000 1.257 163 W CB -1.089 28.322 29.460 -0.081 0.000 1.120 163 W HN -0.062 nan 8.180 nan 0.000 0.551 164 T N -0.337 114.258 114.554 0.069 0.000 2.737 164 T HA -0.254 4.096 4.350 -0.000 0.000 0.265 164 T C 1.759 176.328 174.700 -0.218 0.000 1.038 164 T CA 1.829 63.899 62.100 -0.051 0.000 1.144 164 T CB -0.237 68.609 68.868 -0.037 0.000 0.866 164 T HN 0.177 nan 8.240 nan 0.000 0.434 165 Q N -0.368 119.232 119.800 -0.334 0.000 2.046 165 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 165 Q C 2.057 177.278 176.000 -1.298 0.000 0.975 165 Q CA 1.365 56.760 55.803 -0.679 0.000 0.836 165 Q CB -0.279 28.091 28.738 -0.613 0.000 0.896 165 Q HN 0.531 nan 8.270 nan 0.000 0.428 166 F N 1.552 120.801 119.950 -1.169 0.000 2.126 166 F HA -0.239 4.288 4.527 -0.000 0.000 0.299 166 F C 1.729 177.238 175.800 -0.484 0.000 1.096 166 F CA 2.167 59.620 58.000 -0.912 0.000 1.255 166 F CB -0.436 38.301 39.000 -0.439 0.000 0.997 166 F HN 0.222 nan 8.300 nan 0.000 0.479 167 D N -0.330 119.833 120.400 -0.395 0.000 2.123 167 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 167 D C 2.495 178.595 176.300 -0.334 0.000 0.992 167 D CA 1.635 55.427 54.000 -0.346 0.000 0.833 167 D CB -0.782 39.911 40.800 -0.179 0.000 0.954 167 D HN 0.361 nan 8.370 nan 0.000 0.455 168 G N -0.019 108.564 108.800 -0.362 0.000 2.459 168 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.217 168 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.217 168 G C 1.246 176.068 174.900 -0.130 0.000 1.183 168 G CA 0.929 45.884 45.100 -0.241 0.000 0.776 168 G HN 0.288 nan 8.290 nan 0.000 0.552 169 W N 1.158 122.351 121.300 -0.178 0.000 2.363 169 W HA 0.003 4.663 4.660 -0.000 0.000 0.296 169 W C 2.733 179.102 176.519 -0.249 0.000 1.212 169 W CA 1.296 58.537 57.345 -0.174 0.000 1.260 169 W CB -1.621 27.740 29.460 -0.165 0.000 1.131 169 W HN 0.141 nan 8.180 nan 0.000 0.530 170 T N 0.909 115.323 114.554 -0.233 0.000 2.652 170 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 170 T C 1.865 176.475 174.700 -0.150 0.000 1.039 170 T CA 1.907 63.820 62.100 -0.311 0.000 1.153 170 T CB -0.275 68.277 68.868 -0.527 0.000 0.863 170 T HN 0.002 nan 8.240 nan 0.000 0.428 171 Q N 0.811 120.536 119.800 -0.124 0.000 2.084 171 Q HA 0.032 4.372 4.340 -0.000 0.000 0.202 171 Q C 2.663 178.652 176.000 -0.017 0.000 0.978 171 Q CA 1.588 57.353 55.803 -0.063 0.000 0.844 171 Q CB -0.937 27.766 28.738 -0.058 0.000 0.898 171 Q HN 0.588 nan 8.270 nan 0.000 0.426 172 A N 0.723 123.549 122.820 0.009 0.000 1.902 172 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 172 A C 2.216 179.826 177.584 0.043 0.000 1.181 172 A CA 1.259 53.320 52.037 0.040 0.000 0.623 172 A CB -0.680 18.365 19.000 0.074 0.000 0.818 172 A HN 0.325 nan 8.150 nan 0.000 0.443 173 I N -0.534 120.060 120.570 0.040 0.000 2.252 173 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 173 I C 2.326 178.467 176.117 0.041 0.000 1.102 173 I CA 1.070 62.404 61.300 0.057 0.000 1.385 173 I CB -0.282 37.748 38.000 0.051 0.000 1.064 173 I HN 0.152 nan 8.210 nan 0.000 0.414 174 V N 0.994 120.912 119.914 0.007 0.000 2.358 174 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 174 V C 2.716 178.829 176.094 0.031 0.000 1.047 174 V CA 1.900 64.207 62.300 0.011 0.000 1.035 174 V CB -1.031 30.784 31.823 -0.014 0.000 0.658 174 V HN 0.480 nan 8.190 nan 0.000 0.452 175 A N 0.295 123.131 122.820 0.028 0.000 1.865 175 A HA -0.186 4.133 4.320 -0.000 0.000 0.217 175 A C 2.475 180.089 177.584 0.050 0.000 1.191 175 A CA 2.371 54.430 52.037 0.038 0.000 0.623 175 A CB -1.021 17.998 19.000 0.031 0.000 0.826 175 A HN 0.584 nan 8.150 nan 0.000 0.444 176 A N -0.377 122.473 122.820 0.051 0.000 1.917 176 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 176 A C 2.072 179.695 177.584 0.064 0.000 1.182 176 A CA 2.540 54.611 52.037 0.056 0.000 0.633 176 A CB -1.706 17.330 19.000 0.059 0.000 0.819 176 A HN 0.989 nan 8.150 nan 0.000 0.448 177 N N -0.079 118.662 118.700 0.068 0.000 2.550 177 N HA 0.416 5.156 4.740 -0.000 0.000 0.186 177 N C 1.074 176.637 175.510 0.089 0.000 1.110 177 N CA 1.266 54.361 53.050 0.076 0.000 0.912 177 N CB -0.693 37.839 38.487 0.075 0.000 0.968 177 N HN 0.962 nan 8.380 nan 0.000 0.448 186 A N 0.302 123.151 122.820 0.049 0.000 2.843 186 A HA 0.643 4.963 4.320 -0.000 0.000 0.248 186 A C 1.226 178.841 177.584 0.052 0.000 0.904 186 A CA -0.132 51.941 52.037 0.059 0.000 1.091 186 A CB -0.035 19.015 19.000 0.082 0.000 1.208 186 A HN 0.219 nan 8.150 nan 0.000 0.476 187 L N -0.038 121.206 121.223 0.035 0.000 2.013 187 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 187 L C 1.979 178.857 176.870 0.014 0.000 1.073 187 L CA 2.258 57.110 54.840 0.020 0.000 0.753 187 L CB -0.398 41.669 42.059 0.013 0.000 0.890 187 L HN 0.452 nan 8.230 nan 0.000 0.432 188 D N -0.779 119.632 120.400 0.018 0.000 2.117 188 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 188 D C 2.187 178.466 176.300 -0.035 0.000 0.987 188 D CA 1.555 55.556 54.000 0.002 0.000 0.829 188 D CB -0.098 40.718 40.800 0.028 0.000 0.961 188 D HN 0.358 nan 8.370 nan 0.000 0.460 189 A N 0.454 123.280 122.820 0.010 0.000 1.968 189 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 189 A C 2.516 180.062 177.584 -0.062 0.000 1.169 189 A CA 0.830 52.860 52.037 -0.011 0.000 0.638 189 A CB -0.546 18.536 19.000 0.137 0.000 0.812 189 A HN 0.129 nan 8.150 nan 0.000 0.446 190 V N -0.003 119.946 119.914 0.058 0.000 2.295 190 V HA -0.195 3.924 4.120 -0.000 0.000 0.246 190 V C 2.833 178.964 176.094 0.062 0.000 1.049 190 V CA 2.037 64.435 62.300 0.164 0.000 1.024 190 V CB -1.453 30.442 31.823 0.120 0.000 0.648 190 V HN 0.588 nan 8.190 nan 0.000 0.447 191 G N -0.700 108.083 108.800 -0.029 0.000 2.421 191 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 191 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 191 G C 1.863 176.678 174.900 -0.141 0.000 1.171 191 G CA 1.194 46.262 45.100 -0.054 0.000 0.775 191 G HN 0.497 nan 8.290 nan 0.000 0.543 192 S N 0.021 115.528 115.700 -0.321 0.000 2.359 192 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 192 S C 2.258 176.352 174.600 -0.843 0.000 1.035 192 S CA 1.674 59.471 58.200 -0.671 0.000 1.018 192 S CB -0.312 62.163 63.200 -1.209 0.000 0.876 192 S HN 0.426 nan 8.310 nan 0.000 0.448 193 M N 0.707 119.894 119.600 -0.689 0.000 2.132 193 M HA -0.067 4.412 4.480 -0.000 0.000 0.263 193 M C 2.006 178.486 176.300 0.301 0.000 1.065 193 M CA 1.464 56.687 55.300 -0.129 0.000 1.122 193 M CB -0.228 32.455 32.600 0.138 0.000 1.365 193 M HN 0.305 nan 8.290 nan 0.000 0.411 194 M N -0.548 119.206 119.600 0.257 0.000 2.159 194 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 194 M C 2.266 178.677 176.300 0.185 0.000 1.063 194 M CA 1.647 57.114 55.300 0.279 0.000 1.110 194 M CB -0.639 32.060 32.600 0.165 0.000 1.374 194 M HN 0.444 nan 8.290 nan 0.000 0.411 195 A N -0.552 122.314 122.820 0.076 0.000 1.929 195 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 195 A C 2.011 179.640 177.584 0.076 0.000 1.176 195 A CA 1.173 53.241 52.037 0.052 0.000 0.628 195 A CB -0.915 18.088 19.000 0.005 0.000 0.816 195 A HN 0.549 nan 8.150 nan 0.000 0.444 196 Y N -0.710 119.560 120.300 -0.049 0.000 2.133 196 Y HA -0.176 4.374 4.550 -0.000 0.000 0.287 196 Y C 1.933 177.770 175.900 -0.106 0.000 1.134 196 Y CA 1.935 59.999 58.100 -0.059 0.000 1.133 196 Y CB -0.438 38.006 38.460 -0.026 0.000 0.987 196 Y HN 0.261 nan 8.280 nan 0.000 0.502 197 F N 0.037 120.117 119.950 0.218 0.000 2.171 197 F HA -0.202 4.325 4.527 -0.000 0.000 0.300 197 F C 2.480 178.305 175.800 0.042 0.000 1.090 197 F CA 1.938 60.018 58.000 0.133 0.000 1.293 197 F CB -1.103 38.051 39.000 0.257 0.000 1.013 197 F HN -0.033 nan 8.300 nan 0.000 0.486 198 T N -0.612 114.052 114.554 0.184 0.000 2.720 198 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 198 T C 2.358 177.067 174.700 0.015 0.000 1.037 198 T CA 1.513 63.674 62.100 0.102 0.000 1.144 198 T CB -1.038 67.880 68.868 0.083 0.000 0.864 198 T HN 0.451 nan 8.240 nan 0.000 0.444 199 G N 1.170 109.929 108.800 -0.067 0.000 2.402 199 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.216 199 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.216 199 G C 1.507 176.300 174.900 -0.179 0.000 1.162 199 G CA 0.645 45.666 45.100 -0.131 0.000 0.777 199 G HN 0.411 nan 8.290 nan 0.000 0.539 200 L N 0.726 121.772 121.223 -0.295 0.000 2.083 200 L HA 0.095 4.435 4.340 -0.000 0.000 0.209 200 L C 2.644 179.480 176.870 -0.057 0.000 1.083 200 L CA 1.262 55.953 54.840 -0.249 0.000 0.752 200 L CB -0.410 41.422 42.059 -0.379 0.000 0.899 200 L HN 0.259 nan 8.230 nan 0.000 0.433 201 I N -0.532 120.054 120.570 0.026 0.000 2.226 201 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 201 I C 2.492 178.620 176.117 0.017 0.000 1.100 201 I CA 1.439 62.778 61.300 0.063 0.000 1.374 201 I CB -0.269 37.797 38.000 0.110 0.000 1.057 201 I HN 0.320 nan 8.210 nan 0.000 0.413 202 E N 1.236 121.436 120.200 -0.002 0.000 2.077 202 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 202 E C 2.226 178.811 176.600 -0.026 0.000 0.989 202 E CA 1.461 57.854 56.400 -0.012 0.000 0.800 202 E CB -0.201 29.490 29.700 -0.015 0.000 0.746 202 E HN 0.247 nan 8.360 nan 0.000 0.452 203 R N -0.267 120.206 120.500 -0.045 0.000 2.096 203 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 203 R C 1.904 178.179 176.300 -0.042 0.000 1.127 203 R CA 1.186 57.256 56.100 -0.050 0.000 0.968 203 R CB -0.026 30.229 30.300 -0.074 0.000 0.861 203 R HN 0.006 nan 8.270 nan 0.000 0.440 204 R N 0.651 121.130 120.500 -0.035 0.000 2.293 204 R HA -0.055 4.285 4.340 -0.000 0.000 0.219 204 R C 1.884 178.160 176.300 -0.039 0.000 1.091 204 R CA 0.805 56.883 56.100 -0.036 0.000 1.004 204 R CB -0.327 29.960 30.300 -0.022 0.000 0.865 204 R HN 0.394 nan 8.270 nan 0.000 0.469 205 R N -0.221 120.261 120.500 -0.029 0.000 2.189 205 R HA -0.034 4.306 4.340 -0.000 0.000 0.218 205 R C 1.604 177.885 176.300 -0.032 0.000 1.074 205 R CA 1.703 57.786 56.100 -0.027 0.000 0.991 205 R CB 0.003 30.293 30.300 -0.017 0.000 0.883 205 R HN 0.303 nan 8.270 nan 0.000 0.457 206 T N -2.870 111.664 114.554 -0.033 0.000 2.971 206 T HA 0.137 4.487 4.350 -0.000 0.000 0.252 206 T C 0.382 175.058 174.700 -0.039 0.000 1.022 206 T CA -0.270 61.810 62.100 -0.033 0.000 0.980 206 T CB 0.455 69.306 68.868 -0.028 0.000 1.044 206 T HN 0.119 nan 8.240 nan 0.000 0.501 207 E N 3.001 123.174 120.200 -0.045 0.000 3.108 207 E HA 0.319 4.669 4.350 -0.000 0.000 0.228 207 E C -2.889 173.674 176.600 -0.061 0.000 1.176 207 E CA -2.103 54.267 56.400 -0.049 0.000 0.881 207 E CB 1.429 31.102 29.700 -0.045 0.000 1.354 207 E HN 0.358 nan 8.360 nan 0.000 0.400 208 P HA 0.165 nan 4.420 nan 0.000 0.272 208 P C -0.545 176.692 177.300 -0.105 0.000 1.230 208 P CA 0.012 63.050 63.100 -0.104 0.000 0.788 208 P CB 1.394 33.019 31.700 -0.125 0.000 0.949 209 A N 1.307 124.049 122.820 -0.129 0.000 2.681 209 A HA 0.507 4.827 4.320 -0.000 0.000 0.278 209 A C 0.193 177.680 177.584 -0.161 0.000 1.272 209 A CA -0.315 51.653 52.037 -0.115 0.000 0.750 209 A CB 0.186 19.134 19.000 -0.087 0.000 1.351 209 A HN 0.374 nan 8.150 nan 0.000 0.514 210 D N 0.766 121.095 120.400 -0.119 0.000 2.349 210 D HA 0.084 4.724 4.640 -0.000 0.000 0.214 210 D C -0.162 176.127 176.300 -0.020 0.000 1.063 210 D CA 0.174 54.134 54.000 -0.066 0.000 0.847 210 D CB 0.071 40.849 40.800 -0.036 0.000 0.933 210 D HN 0.646 nan 8.370 nan 0.000 0.513 211 D N -0.251 120.094 120.400 -0.092 0.000 2.398 211 D HA 0.166 4.806 4.640 -0.000 0.000 0.247 211 D C 1.136 177.461 176.300 0.042 0.000 1.227 211 D CA -0.480 53.461 54.000 -0.099 0.000 0.980 211 D CB 1.519 42.237 40.800 -0.137 0.000 1.106 211 D HN -0.109 nan 8.370 nan 0.000 0.493 212 A N 0.676 123.511 122.820 0.025 0.000 1.898 212 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 212 A C 2.412 180.036 177.584 0.066 0.000 1.181 212 A CA 0.860 52.942 52.037 0.075 0.000 0.620 212 A CB -0.722 18.394 19.000 0.194 0.000 0.819 212 A HN 0.660 nan 8.150 nan 0.000 0.442 213 I N -0.063 120.594 120.570 0.146 0.000 2.127 213 I HA -0.264 3.906 4.170 -0.000 0.000 0.241 213 I C 2.669 178.808 176.117 0.036 0.000 1.075 213 I CA 1.726 63.105 61.300 0.133 0.000 1.334 213 I CB -0.595 37.532 38.000 0.213 0.000 1.040 213 I HN 0.254 nan 8.210 nan 0.000 0.405 214 S N -0.444 115.248 115.700 -0.013 0.000 2.383 214 S HA -0.221 4.249 4.470 -0.000 0.000 0.229 214 S C 1.907 176.402 174.600 -0.175 0.000 1.030 214 S CA 1.159 59.293 58.200 -0.110 0.000 1.002 214 S CB -0.529 62.566 63.200 -0.175 0.000 0.829 214 S HN 0.443 nan 8.310 nan 0.000 0.467 215 H N 0.880 119.902 119.070 -0.079 0.000 2.389 215 H HA 0.072 4.628 4.556 -0.000 0.000 0.299 215 H C 2.143 177.388 175.328 -0.139 0.000 1.081 215 H CA 1.087 57.071 56.048 -0.108 0.000 1.345 215 H CB -0.359 29.328 29.762 -0.125 0.000 1.393 215 H HN 0.322 nan 8.280 nan 0.000 0.520 216 L N -0.158 121.026 121.223 -0.065 0.000 2.046 216 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 216 L C 2.693 179.531 176.870 -0.054 0.000 1.077 216 L CA 0.594 55.357 54.840 -0.128 0.000 0.747 216 L CB -0.321 41.635 42.059 -0.171 0.000 0.896 216 L HN 0.033 nan 8.230 nan 0.000 0.432 217 V N -0.041 119.853 119.914 -0.032 0.000 2.358 217 V HA -0.247 3.872 4.120 -0.000 0.000 0.246 217 V C 2.714 178.789 176.094 -0.032 0.000 1.047 217 V CA 1.688 63.978 62.300 -0.017 0.000 1.035 217 V CB -0.796 31.021 31.823 -0.009 0.000 0.658 217 V HN 0.473 nan 8.190 nan 0.000 0.452 218 A N -0.081 122.706 122.820 -0.056 0.000 2.024 218 A HA -0.055 4.264 4.320 -0.000 0.000 0.220 218 A C 2.139 179.703 177.584 -0.033 0.000 1.164 218 A CA 1.798 53.802 52.037 -0.056 0.000 0.643 218 A CB -0.491 18.454 19.000 -0.093 0.000 0.806 218 A HN 0.604 nan 8.150 nan 0.000 0.451 219 A N -2.013 120.789 122.820 -0.030 0.000 2.278 219 A HA 0.438 4.758 4.320 -0.000 0.000 0.212 219 A C 1.713 179.286 177.584 -0.018 0.000 1.213 219 A CA 1.069 53.090 52.037 -0.026 0.000 0.840 219 A CB -0.854 18.121 19.000 -0.042 0.000 0.866 219 A HN 1.816 nan 8.150 nan 0.000 0.489 220 G N -1.367 107.425 108.800 -0.013 0.000 2.176 220 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.253 220 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.253 220 G C 0.466 175.372 174.900 0.010 0.000 0.979 220 G CA 0.184 45.282 45.100 -0.002 0.000 0.641 220 G HN 0.705 nan 8.290 nan 0.000 0.530 226 D N 0.309 120.727 120.400 0.029 0.000 3.541 226 D HA -0.325 4.315 4.640 -0.000 0.000 0.160 226 D C 2.112 178.431 176.300 0.032 0.000 0.995 226 D CA 2.736 56.752 54.000 0.027 0.000 0.931 226 D CB -0.611 40.202 40.800 0.021 0.000 0.465 226 D HN 0.262 nan 8.370 nan 0.000 0.432 227 T N -0.609 113.961 114.554 0.027 0.000 2.720 227 T HA -0.062 4.287 4.350 -0.000 0.000 0.268 227 T C 1.809 176.528 174.700 0.032 0.000 1.037 227 T CA 2.891 65.008 62.100 0.029 0.000 1.144 227 T CB -0.765 68.116 68.868 0.022 0.000 0.864 227 T HN 0.548 nan 8.240 nan 0.000 0.444 228 A N 1.323 124.158 122.820 0.026 0.000 1.933 228 A HA 0.136 4.456 4.320 -0.000 0.000 0.218 228 A C 2.629 180.236 177.584 0.037 0.000 1.175 228 A CA 1.789 53.840 52.037 0.023 0.000 0.628 228 A CB -1.320 17.689 19.000 0.015 0.000 0.814 228 A HN 0.516 nan 8.150 nan 0.000 0.444 229 G N -0.984 107.845 108.800 0.047 0.000 2.421 229 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 229 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 229 G C 1.573 176.530 174.900 0.094 0.000 1.171 229 G CA 1.637 46.781 45.100 0.072 0.000 0.775 229 G HN 0.423 nan 8.290 nan 0.000 0.543 230 T N 1.073 115.675 114.554 0.080 0.000 2.788 230 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 230 T C 2.230 176.996 174.700 0.110 0.000 1.044 230 T CA 1.139 63.298 62.100 0.097 0.000 1.139 230 T CB -0.211 68.705 68.868 0.079 0.000 0.867 230 T HN 0.121 nan 8.240 nan 0.000 0.454 231 L N 2.048 123.317 121.223 0.077 0.000 2.046 231 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 231 L C 2.619 179.533 176.870 0.073 0.000 1.077 231 L CA 2.120 56.995 54.840 0.059 0.000 0.747 231 L CB -1.031 41.040 42.059 0.020 0.000 0.896 231 L HN 0.354 nan 8.230 nan 0.000 0.432 232 S N -0.811 114.935 115.700 0.077 0.000 2.382 232 S HA -0.199 4.271 4.470 -0.000 0.000 0.228 232 S C 2.049 176.790 174.600 0.234 0.000 1.027 232 S CA 1.593 59.833 58.200 0.066 0.000 0.991 232 S CB -0.985 62.250 63.200 0.059 0.000 0.823 232 S HN 0.526 nan 8.310 nan 0.000 0.469 233 I N 1.355 122.097 120.570 0.287 0.000 2.252 233 I HA -0.101 4.068 4.170 -0.000 0.000 0.245 233 I C 2.453 178.768 176.117 0.331 0.000 1.102 233 I CA 1.044 62.558 61.300 0.357 0.000 1.385 233 I CB -0.467 37.689 38.000 0.261 0.000 1.064 233 I HN 0.264 nan 8.210 nan 0.000 0.414 234 L N 0.726 122.096 121.223 0.246 0.000 2.083 234 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 234 L C 2.872 179.918 176.870 0.294 0.000 1.083 234 L CA 1.325 56.318 54.840 0.255 0.000 0.752 234 L CB -0.756 41.424 42.059 0.201 0.000 0.899 234 L HN 0.251 nan 8.230 nan 0.000 0.433 235 A N -0.205 122.733 122.820 0.197 0.000 1.930 235 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 235 A C 2.158 179.883 177.584 0.236 0.000 1.175 235 A CA 1.362 53.492 52.037 0.155 0.000 0.627 235 A CB -0.740 18.279 19.000 0.032 0.000 0.815 235 A HN 0.408 nan 8.150 nan 0.000 0.443 236 F N 1.612 121.653 119.950 0.151 0.000 2.134 236 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 236 F C 2.380 178.259 175.800 0.132 0.000 1.097 236 F CA 2.190 60.309 58.000 0.200 0.000 1.264 236 F CB -0.875 38.349 39.000 0.374 0.000 1.001 236 F HN 0.205 nan 8.300 nan 0.000 0.479 237 T N 0.750 115.270 114.554 -0.057 0.000 2.665 237 T HA -0.250 4.100 4.350 -0.000 0.000 0.268 237 T C 1.839 176.330 174.700 -0.348 0.000 1.035 237 T CA 2.107 63.987 62.100 -0.368 0.000 1.151 237 T CB -0.822 67.727 68.868 -0.532 0.000 0.862 237 T HN 0.255 nan 8.240 nan 0.000 0.438 238 F N 1.519 121.380 119.950 -0.149 0.000 2.146 238 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 238 F C 2.869 178.612 175.800 -0.096 0.000 1.096 238 F CA 1.014 58.961 58.000 -0.090 0.000 1.275 238 F CB -1.071 37.903 39.000 -0.043 0.000 1.008 238 F HN 0.087 nan 8.300 nan 0.000 0.480 239 T N 0.352 114.930 114.554 0.040 0.000 2.665 239 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 239 T C 2.095 176.723 174.700 -0.119 0.000 1.035 239 T CA 1.495 63.582 62.100 -0.021 0.000 1.151 239 T CB -0.218 68.665 68.868 0.023 0.000 0.862 239 T HN 0.091 nan 8.240 nan 0.000 0.438 240 M N 0.578 120.009 119.600 -0.281 0.000 2.099 240 M HA -0.035 4.445 4.480 -0.000 0.000 0.262 240 M C 2.554 178.766 176.300 -0.147 0.000 1.067 240 M CA 1.167 56.312 55.300 -0.258 0.000 1.124 240 M CB -1.268 31.077 32.600 -0.424 0.000 1.353 240 M HN 0.147 nan 8.290 nan 0.000 0.410 241 V N 0.631 120.439 119.914 -0.175 0.000 2.295 241 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 241 V C 2.584 178.617 176.094 -0.101 0.000 1.049 241 V CA 2.342 64.547 62.300 -0.159 0.000 1.024 241 V CB -1.316 30.326 31.823 -0.302 0.000 0.648 241 V HN 0.617 nan 8.190 nan 0.000 0.447 242 T N -2.386 112.131 114.554 -0.061 0.000 3.067 242 T HA 0.065 4.415 4.350 -0.000 0.000 0.261 242 T C 1.644 176.344 174.700 0.000 0.000 1.110 242 T CA 1.125 63.221 62.100 -0.006 0.000 1.113 242 T CB 0.072 68.968 68.868 0.046 0.000 0.917 242 T HN 0.474 nan 8.240 nan 0.000 0.499 243 G N 0.242 109.034 108.800 -0.015 0.000 2.850 243 G HA2 0.412 4.372 3.960 -0.000 0.000 0.211 243 G HA3 0.412 4.372 3.960 -0.000 0.000 0.211 243 G C 1.330 176.225 174.900 -0.008 0.000 1.124 243 G CA 0.194 45.293 45.100 -0.002 0.000 0.769 243 G HN 0.578 nan 8.290 nan 0.000 0.535 244 G N -0.198 108.584 108.800 -0.029 0.000 3.159 244 G HA2 0.101 4.061 3.960 -0.000 0.000 0.232 244 G HA3 0.101 4.061 3.960 -0.000 0.000 0.232 244 G C 1.116 176.001 174.900 -0.025 0.000 1.116 244 G CA 0.005 45.087 45.100 -0.030 0.000 0.767 244 G HN 0.225 nan 8.290 nan 0.000 0.547 245 N N 1.259 119.943 118.700 -0.026 0.000 2.638 245 N HA -0.036 4.703 4.740 -0.000 0.000 0.220 245 N C 1.736 177.238 175.510 -0.014 0.000 1.031 245 N CA 1.143 54.176 53.050 -0.028 0.000 1.062 245 N CB -0.069 38.389 38.487 -0.049 0.000 1.406 245 N HN 0.249 nan 8.380 nan 0.000 0.495 246 D N 1.293 121.690 120.400 -0.006 0.000 2.182 246 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 246 D C 1.725 178.025 176.300 0.000 0.000 0.986 246 D CA 1.806 55.808 54.000 0.003 0.000 0.847 246 D CB -1.032 39.778 40.800 0.017 0.000 0.942 246 D HN 0.345 nan 8.370 nan 0.000 0.467 247 T N -0.899 113.659 114.554 0.007 0.000 2.708 247 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 247 T C 2.266 176.962 174.700 -0.007 0.000 1.037 247 T CA 1.608 63.713 62.100 0.008 0.000 1.146 247 T CB -0.998 67.890 68.868 0.033 0.000 0.865 247 T HN 0.085 nan 8.240 nan 0.000 0.435 248 V N 2.024 121.933 119.914 -0.008 0.000 2.427 248 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 248 V C 3.061 179.107 176.094 -0.080 0.000 1.051 248 V CA 2.219 64.501 62.300 -0.031 0.000 1.048 248 V CB -1.345 30.467 31.823 -0.019 0.000 0.666 248 V HN 0.600 nan 8.190 nan 0.000 0.456 249 T N 0.446 114.971 114.554 -0.048 0.000 2.759 249 T HA -0.136 4.214 4.350 -0.000 0.000 0.269 249 T C 1.889 176.542 174.700 -0.079 0.000 1.042 249 T CA 1.571 63.644 62.100 -0.045 0.000 1.140 249 T CB -0.575 68.297 68.868 0.006 0.000 0.864 249 T HN 0.624 nan 8.240 nan 0.000 0.455 250 G N 0.893 109.663 108.800 -0.050 0.000 2.403 250 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.216 250 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.216 250 G C 1.524 176.397 174.900 -0.045 0.000 1.154 250 G CA 0.630 45.717 45.100 -0.023 0.000 0.784 250 G HN 0.433 nan 8.290 nan 0.000 0.538 251 M N -0.054 119.494 119.600 -0.087 0.000 2.077 251 M HA 0.050 4.530 4.480 -0.000 0.000 0.261 251 M C 2.468 178.644 176.300 -0.208 0.000 1.070 251 M CA 1.332 56.567 55.300 -0.108 0.000 1.125 251 M CB -0.216 32.331 32.600 -0.089 0.000 1.339 251 M HN 0.206 nan 8.290 nan 0.000 0.409 252 L N -0.311 120.678 121.223 -0.390 0.000 1.994 252 L HA -0.108 4.231 4.340 -0.000 0.000 0.208 252 L C 2.732 179.148 176.870 -0.757 0.000 1.071 252 L CA 1.509 55.839 54.840 -0.850 0.000 0.745 252 L CB -1.504 39.597 42.059 -1.597 0.000 0.892 252 L HN 0.485 nan 8.230 nan 0.000 0.431 253 G N -0.415 108.122 108.800 -0.438 0.000 2.418 253 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 253 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 253 G C 1.567 176.456 174.900 -0.018 0.000 1.158 253 G CA 0.720 45.799 45.100 -0.035 0.000 0.771 253 G HN 0.501 nan 8.290 nan 0.000 0.545 254 G N 0.150 108.957 108.800 0.012 0.000 2.471 254 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.219 254 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.219 254 G C 1.938 176.919 174.900 0.134 0.000 1.125 254 G CA 1.212 46.422 45.100 0.183 0.000 0.775 254 G HN 0.418 nan 8.290 nan 0.000 0.548 255 S N 0.320 116.039 115.700 0.032 0.000 2.461 255 S HA 0.045 4.515 4.470 -0.000 0.000 0.228 255 S C 2.405 177.077 174.600 0.120 0.000 1.005 255 S CA 0.369 58.596 58.200 0.045 0.000 0.942 255 S CB -0.090 63.091 63.200 -0.030 0.000 0.776 255 S HN 0.188 nan 8.310 nan 0.000 0.514 256 M N 1.638 121.315 119.600 0.129 0.000 2.067 256 M HA -0.033 4.447 4.480 -0.000 0.000 0.260 256 M C -0.856 175.660 176.300 0.361 0.000 1.069 256 M CA 1.492 56.923 55.300 0.219 0.000 1.117 256 M CB -2.690 30.015 32.600 0.174 0.000 1.334 256 M HN 0.129 nan 8.290 nan 0.000 0.407 257 P HA -0.089 nan 4.420 nan 0.000 0.217 257 P C 1.971 179.439 177.300 0.280 0.000 1.150 257 P CA 1.225 64.512 63.100 0.311 0.000 0.832 257 P CB -0.262 31.608 31.700 0.284 0.000 0.787 258 L N -1.177 120.180 121.223 0.222 0.000 2.012 258 L HA -0.165 4.174 4.340 -0.000 0.000 0.210 258 L C 2.795 179.760 176.870 0.158 0.000 1.073 258 L CA 1.478 56.410 54.840 0.153 0.000 0.748 258 L CB -1.143 40.975 42.059 0.099 0.000 0.891 258 L HN -0.073 nan 8.230 nan 0.000 0.431 259 L N -1.350 120.009 121.223 0.226 0.000 2.131 259 L HA -0.183 4.157 4.340 -0.000 0.000 0.206 259 L C 2.666 179.673 176.870 0.228 0.000 1.087 259 L CA 0.822 55.809 54.840 0.246 0.000 0.767 259 L CB -0.589 41.686 42.059 0.360 0.000 0.917 259 L HN 0.247 nan 8.230 nan 0.000 0.441 260 H N 0.738 119.943 119.070 0.224 0.000 2.352 260 H HA -0.197 4.359 4.556 -0.000 0.000 0.299 260 H C 2.304 177.625 175.328 -0.012 0.000 1.097 260 H CA 2.440 58.496 56.048 0.013 0.000 1.311 260 H CB 0.096 29.934 29.762 0.127 0.000 1.377 260 H HN 0.161 nan 8.280 nan 0.000 0.504 261 R N 0.823 121.328 120.500 0.007 0.000 2.285 261 R HA 0.125 4.465 4.340 -0.000 0.000 0.213 261 R C 0.790 177.047 176.300 -0.071 0.000 1.068 261 R CA 1.227 57.300 56.100 -0.046 0.000 1.004 261 R CB -0.412 29.923 30.300 0.057 0.000 0.873 261 R HN 0.167 nan 8.270 nan 0.000 0.467 262 R N -0.008 120.457 120.500 -0.058 0.000 2.629 262 R HA 0.220 4.560 4.340 -0.000 0.000 0.277 262 R C -2.419 173.848 176.300 -0.053 0.000 1.637 262 R CA -2.394 53.681 56.100 -0.041 0.000 1.663 262 R CB 1.360 31.657 30.300 -0.005 0.000 1.228 262 R HN 0.157 nan 8.270 nan 0.000 0.632 263 P HA -0.198 nan 4.420 nan 0.000 0.218 263 P C 0.983 178.259 177.300 -0.041 0.000 1.146 263 P CA 1.289 64.339 63.100 -0.083 0.000 0.813 263 P CB 0.290 31.930 31.700 -0.101 0.000 0.778 264 D N -0.828 119.553 120.400 -0.032 0.000 2.144 264 D HA -0.198 4.442 4.640 -0.000 0.000 0.199 264 D C 1.579 177.875 176.300 -0.006 0.000 0.984 264 D CA 1.215 55.204 54.000 -0.018 0.000 0.834 264 D CB -0.707 40.083 40.800 -0.016 0.000 0.955 264 D HN 0.159 nan 8.370 nan 0.000 0.465 265 Q N 0.530 120.329 119.800 -0.002 0.000 2.137 265 Q HA 0.030 4.370 4.340 -0.000 0.000 0.198 265 Q C 2.466 178.481 176.000 0.025 0.000 0.960 265 Q CA 0.674 56.483 55.803 0.010 0.000 0.847 265 Q CB -0.226 28.519 28.738 0.013 0.000 0.915 265 Q HN 0.482 nan 8.270 nan 0.000 0.448 266 R N 0.574 121.091 120.500 0.028 0.000 2.096 266 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 266 R C 2.299 178.621 176.300 0.036 0.000 1.127 266 R CA 1.240 57.371 56.100 0.052 0.000 0.968 266 R CB -0.280 30.055 30.300 0.057 0.000 0.861 266 R HN 0.040 nan 8.270 nan 0.000 0.440 267 R N 1.453 121.962 120.500 0.015 0.000 2.105 267 R HA -0.124 4.216 4.340 -0.000 0.000 0.239 267 R C 1.887 178.198 176.300 0.017 0.000 1.135 267 R CA 1.340 57.448 56.100 0.012 0.000 0.967 267 R CB -0.713 29.587 30.300 -0.000 0.000 0.861 267 R HN 0.079 nan 8.270 nan 0.000 0.442 268 L N 0.239 121.472 121.223 0.016 0.000 2.042 268 L HA -0.123 4.216 4.340 -0.000 0.000 0.210 268 L C 2.161 179.045 176.870 0.023 0.000 1.076 268 L CA 1.672 56.522 54.840 0.016 0.000 0.749 268 L CB -0.540 41.527 42.059 0.013 0.000 0.893 268 L HN 0.254 nan 8.230 nan 0.000 0.432 269 L N -2.211 119.031 121.223 0.032 0.000 2.270 269 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 269 L C 2.301 179.197 176.870 0.043 0.000 1.104 269 L CA 0.299 55.163 54.840 0.039 0.000 0.804 269 L CB -0.370 41.720 42.059 0.051 0.000 0.937 269 L HN 0.204 nan 8.230 nan 0.000 0.450 270 L N -0.126 121.124 121.223 0.044 0.000 2.046 270 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 270 L C 1.978 178.867 176.870 0.032 0.000 1.077 270 L CA 1.144 56.009 54.840 0.042 0.000 0.747 270 L CB -0.409 41.674 42.059 0.040 0.000 0.896 270 L HN 0.270 nan 8.230 nan 0.000 0.432 271 D N -1.166 119.249 120.400 0.025 0.000 2.249 271 D HA -0.061 4.579 4.640 -0.000 0.000 0.205 271 D C 0.338 176.650 176.300 0.020 0.000 0.962 271 D CA 0.966 54.977 54.000 0.020 0.000 0.860 271 D CB 0.148 40.957 40.800 0.015 0.000 0.955 271 D HN 0.137 nan 8.370 nan 0.000 0.505 272 D N -1.055 119.358 120.400 0.022 0.000 2.429 272 D HA 0.172 4.812 4.640 -0.000 0.000 0.255 272 D C -2.204 174.112 176.300 0.026 0.000 1.257 272 D CA -1.789 52.224 54.000 0.022 0.000 0.890 272 D CB 1.452 42.263 40.800 0.018 0.000 1.267 272 D HN -0.218 nan 8.370 nan 0.000 0.521 273 P HA -0.070 nan 4.420 nan 0.000 0.225 273 P C 0.758 178.076 177.300 0.030 0.000 1.148 273 P CA 0.716 63.836 63.100 0.032 0.000 0.779 273 P CB 0.476 32.196 31.700 0.033 0.000 0.780 274 E N -0.847 119.368 120.200 0.026 0.000 2.418 274 E HA -0.003 4.346 4.350 -0.000 0.000 0.197 274 E C 2.071 178.685 176.600 0.024 0.000 1.026 274 E CA 0.784 57.199 56.400 0.024 0.000 0.862 274 E CB -1.280 28.433 29.700 0.021 0.000 0.799 274 E HN 0.221 nan 8.360 nan 0.000 0.518 275 G N 0.062 108.876 108.800 0.024 0.000 2.744 275 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.211 275 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.211 275 G C 1.415 176.330 174.900 0.025 0.000 1.143 275 G CA -0.005 45.108 45.100 0.023 0.000 0.788 275 G HN 0.229 nan 8.290 nan 0.000 0.534 276 I N 1.068 121.655 120.570 0.030 0.000 2.226 276 I HA -0.100 4.070 4.170 -0.000 0.000 0.245 276 I C -0.155 175.981 176.117 0.031 0.000 1.100 276 I CA 0.891 62.210 61.300 0.032 0.000 1.374 276 I CB -0.576 37.445 38.000 0.036 0.000 1.057 276 I HN 0.104 nan 8.210 nan 0.000 0.413 277 P HA -0.138 nan 4.420 nan 0.000 0.216 277 P C 1.018 178.339 177.300 0.034 0.000 1.153 277 P CA 1.400 64.522 63.100 0.036 0.000 0.848 277 P CB -0.018 31.704 31.700 0.037 0.000 0.787 278 D N -0.791 119.625 120.400 0.027 0.000 2.178 278 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 278 D C 1.940 178.248 176.300 0.013 0.000 0.980 278 D CA 1.383 55.396 54.000 0.021 0.000 0.842 278 D CB -0.632 40.178 40.800 0.016 0.000 0.948 278 D HN 0.059 nan 8.370 nan 0.000 0.472 279 A N 0.592 123.421 122.820 0.015 0.000 1.933 279 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 279 A C 2.511 180.098 177.584 0.005 0.000 1.175 279 A CA 0.911 52.953 52.037 0.009 0.000 0.628 279 A CB -0.630 18.382 19.000 0.020 0.000 0.814 279 A HN 0.141 nan 8.150 nan 0.000 0.444 280 V N 0.286 120.210 119.914 0.017 0.000 2.407 280 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 280 V C 2.552 178.656 176.094 0.016 0.000 1.055 280 V CA 2.086 64.398 62.300 0.019 0.000 1.049 280 V CB -0.615 31.231 31.823 0.038 0.000 0.662 280 V HN 0.509 nan 8.190 nan 0.000 0.455 281 E N -0.045 120.168 120.200 0.022 0.000 2.077 281 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 281 E C 2.189 178.762 176.600 -0.045 0.000 0.989 281 E CA 1.446 57.855 56.400 0.015 0.000 0.800 281 E CB -0.170 29.547 29.700 0.029 0.000 0.746 281 E HN 0.721 nan 8.360 nan 0.000 0.452 282 E N 0.763 120.931 120.200 -0.053 0.000 2.106 282 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 282 E C 2.106 178.644 176.600 -0.102 0.000 0.984 282 E CA 0.636 56.978 56.400 -0.096 0.000 0.806 282 E CB -0.187 29.469 29.700 -0.074 0.000 0.750 282 E HN 0.174 nan 8.360 nan 0.000 0.458 283 L N -0.085 121.099 121.223 -0.065 0.000 2.109 283 L HA -0.059 4.280 4.340 -0.000 0.000 0.207 283 L C 2.399 179.218 176.870 -0.085 0.000 1.086 283 L CA 0.589 55.391 54.840 -0.063 0.000 0.760 283 L CB -0.275 41.763 42.059 -0.036 0.000 0.910 283 L HN 0.219 nan 8.230 nan 0.000 0.437 284 L N -0.473 120.698 121.223 -0.088 0.000 2.083 284 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 284 L C 2.832 179.596 176.870 -0.176 0.000 1.083 284 L CA 1.091 55.848 54.840 -0.138 0.000 0.752 284 L CB -0.412 41.569 42.059 -0.131 0.000 0.899 284 L HN 0.254 nan 8.230 nan 0.000 0.433 285 R N 0.402 120.799 120.500 -0.172 0.000 2.073 285 R HA -0.176 4.163 4.340 -0.000 0.000 0.234 285 R C 2.258 178.435 176.300 -0.206 0.000 1.134 285 R CA 1.562 57.532 56.100 -0.217 0.000 0.952 285 R CB -0.168 29.942 30.300 -0.318 0.000 0.850 285 R HN 0.304 nan 8.270 nan 0.000 0.433 286 L N -0.253 120.848 121.223 -0.203 0.000 2.179 286 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 286 L C 2.555 179.314 176.870 -0.186 0.000 1.096 286 L CA 1.476 56.167 54.840 -0.248 0.000 0.779 286 L CB -0.256 41.668 42.059 -0.225 0.000 0.922 286 L HN 0.436 nan 8.230 nan 0.000 0.443 287 T N -4.970 109.532 114.554 -0.087 0.000 2.978 287 T HA -0.015 4.335 4.350 -0.000 0.000 0.262 287 T C 1.084 175.797 174.700 0.022 0.000 1.063 287 T CA 0.444 62.547 62.100 0.005 0.000 1.140 287 T CB -0.191 68.680 68.868 0.005 0.000 0.886 287 T HN 0.137 nan 8.240 nan 0.000 0.470 288 S N 3.066 118.741 115.700 -0.043 0.000 3.247 288 S HA -0.078 4.392 4.470 -0.000 0.000 0.341 288 S C -1.544 173.063 174.600 0.011 0.000 0.924 288 S CA 0.395 58.577 58.200 -0.030 0.000 1.323 288 S CB -1.014 62.217 63.200 0.053 0.000 0.918 288 S HN 0.493 nan 8.310 nan 0.000 0.523 289 P HA -0.074 nan 4.420 nan 0.000 0.216 289 P C 0.462 177.765 177.300 0.004 0.000 1.153 289 P CA 0.789 63.871 63.100 -0.030 0.000 0.858 289 P CB 0.137 31.818 31.700 -0.031 0.000 0.789 290 V N 2.036 121.987 119.914 0.061 0.000 2.352 290 V HA 0.009 4.129 4.120 -0.000 0.000 0.253 290 V C 1.562 177.805 176.094 0.248 0.000 1.083 290 V CA 0.442 62.845 62.300 0.171 0.000 0.993 290 V CB 0.324 32.280 31.823 0.221 0.000 1.111 290 V HN 0.114 nan 8.190 nan 0.000 0.490 291 Q N 3.125 123.064 119.800 0.232 0.000 2.187 291 Q HA 0.134 4.474 4.340 -0.000 0.000 0.199 291 Q C 0.992 177.133 176.000 0.234 0.000 0.957 291 Q CA 0.964 56.947 55.803 0.300 0.000 0.857 291 Q CB 0.723 29.715 28.738 0.423 0.000 0.929 291 Q HN 0.863 nan 8.270 nan 0.000 0.453 292 G N -0.370 108.552 108.800 0.203 0.000 2.703 292 G HA2 0.598 4.558 3.960 -0.000 0.000 0.294 292 G HA3 0.598 4.558 3.960 -0.000 0.000 0.294 292 G C -1.663 173.278 174.900 0.067 0.000 1.451 292 G CA -0.576 44.520 45.100 -0.006 0.000 0.869 292 G HN 0.029 nan 8.290 nan 0.000 0.516 293 L N 0.257 121.345 121.223 -0.226 0.000 2.465 293 L HA 0.787 5.126 4.340 -0.000 0.000 0.257 293 L C 0.361 177.124 176.870 -0.180 0.000 0.988 293 L CA -1.129 53.633 54.840 -0.129 0.000 0.827 293 L CB 2.292 44.301 42.059 -0.084 0.000 1.397 293 L HN 0.817 nan 8.230 nan 0.000 0.410 294 A N 1.834 124.559 122.820 -0.157 0.000 2.252 294 A HA 0.944 5.263 4.320 -0.000 0.000 0.305 294 A C -0.630 176.894 177.584 -0.100 0.000 1.097 294 A CA -0.494 51.469 52.037 -0.124 0.000 0.849 294 A CB 1.040 19.944 19.000 -0.159 0.000 1.142 294 A HN 0.661 nan 8.150 nan 0.000 0.499 295 R N -0.824 119.657 120.500 -0.031 0.000 2.817 295 R HA 0.656 4.996 4.340 -0.000 0.000 0.268 295 R C -1.438 174.890 176.300 0.047 0.000 1.027 295 R CA -0.526 55.593 56.100 0.032 0.000 0.928 295 R CB 1.506 31.902 30.300 0.160 0.000 1.228 295 R HN 0.703 nan 8.270 nan 0.000 0.469 296 T N 1.224 115.804 114.554 0.042 0.000 2.792 296 T HA 0.275 4.625 4.350 -0.000 0.000 0.280 296 T C -0.165 174.532 174.700 -0.005 0.000 0.990 296 T CA -0.640 61.475 62.100 0.026 0.000 0.960 296 T CB 1.503 70.372 68.868 0.002 0.000 0.939 296 T HN 0.625 nan 8.240 nan 0.000 0.439 297 T N -0.057 114.471 114.554 -0.044 0.000 2.901 297 T HA 0.208 4.558 4.350 -0.000 0.000 0.301 297 T C 1.452 176.065 174.700 -0.145 0.000 1.012 297 T CA -0.328 61.645 62.100 -0.212 0.000 1.135 297 T CB 0.733 69.455 68.868 -0.244 0.000 0.936 297 T HN 0.681 nan 8.240 nan 0.000 0.539 298 T N -0.293 114.150 114.554 -0.184 0.000 3.060 298 T HA 0.246 4.596 4.350 -0.000 0.000 0.249 298 T C 0.553 175.183 174.700 -0.116 0.000 1.079 298 T CA -0.525 61.506 62.100 -0.114 0.000 1.013 298 T CB -0.283 68.527 68.868 -0.097 0.000 0.975 298 T HN 0.996 nan 8.240 nan 0.000 0.518 299 R N -0.792 119.610 120.500 -0.162 0.000 2.728 299 R HA 0.565 4.905 4.340 -0.000 0.000 0.274 299 R C -2.189 174.013 176.300 -0.162 0.000 1.030 299 R CA -1.070 54.950 56.100 -0.134 0.000 0.876 299 R CB -0.076 30.149 30.300 -0.124 0.000 1.259 299 R HN -0.184 nan 8.270 nan 0.000 0.468 300 D N 0.561 120.886 120.400 -0.125 0.000 2.455 300 D HA 0.268 4.908 4.640 -0.000 0.000 0.241 300 D C -0.811 175.400 176.300 -0.149 0.000 1.138 300 D CA 0.191 54.114 54.000 -0.128 0.000 0.877 300 D CB 1.505 42.250 40.800 -0.091 0.000 1.187 300 D HN 0.350 nan 8.370 nan 0.000 0.451 301 V N 1.968 121.784 119.914 -0.163 0.000 2.686 301 V HA 0.425 4.545 4.120 -0.000 0.000 0.306 301 V C -0.832 175.212 176.094 -0.084 0.000 1.065 301 V CA -0.385 61.839 62.300 -0.127 0.000 0.894 301 V CB 2.304 34.022 31.823 -0.175 0.000 1.004 301 V HN 0.534 nan 8.190 nan 0.000 0.424 302 T N 8.270 122.798 114.554 -0.044 0.000 2.758 302 T HA 0.620 4.970 4.350 -0.000 0.000 0.285 302 T C -0.348 174.354 174.700 0.004 0.000 0.981 302 T CA 0.000 62.082 62.100 -0.031 0.000 0.965 302 T CB 0.697 69.550 68.868 -0.026 0.000 0.927 302 T HN 0.539 nan 8.240 nan 0.000 0.448 303 I N 3.380 123.954 120.570 0.006 0.000 2.382 303 I HA 0.490 4.659 4.170 -0.000 0.000 0.285 303 I C 1.166 177.297 176.117 0.024 0.000 1.007 303 I CA -0.339 60.978 61.300 0.029 0.000 1.142 303 I CB 0.945 38.971 38.000 0.043 0.000 1.289 303 I HN 0.899 nan 8.210 nan 0.000 0.453 304 G N 4.422 113.237 108.800 0.025 0.000 2.591 304 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.298 304 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.298 304 G C 0.518 175.430 174.900 0.020 0.000 1.195 304 G CA 0.613 45.728 45.100 0.025 0.000 0.989 304 G HN 0.680 nan 8.290 nan 0.000 0.551 305 D N -0.006 120.410 120.400 0.026 0.000 2.358 305 D HA 0.527 5.167 4.640 -0.000 0.000 0.224 305 D C 0.843 177.155 176.300 0.021 0.000 1.123 305 D CA 1.476 55.490 54.000 0.023 0.000 0.833 305 D CB 0.030 40.848 40.800 0.030 0.000 0.946 305 D HN 0.677 nan 8.370 nan 0.000 0.505 306 T N 0.155 114.718 114.554 0.015 0.000 2.812 306 T HA 0.487 4.837 4.350 -0.000 0.000 0.282 306 T C -0.309 174.361 174.700 -0.051 0.000 0.990 306 T CA -0.317 61.785 62.100 0.003 0.000 0.960 306 T CB 1.743 70.631 68.868 0.034 0.000 0.948 306 T HN 0.108 nan 8.240 nan 0.000 0.438 307 T N 4.281 118.790 114.554 -0.076 0.000 2.749 307 T HA 0.472 4.822 4.350 -0.000 0.000 0.287 307 T C 0.391 174.939 174.700 -0.254 0.000 0.970 307 T CA -0.438 61.587 62.100 -0.126 0.000 0.980 307 T CB 0.131 68.948 68.868 -0.084 0.000 0.924 307 T HN 0.422 nan 8.240 nan 0.000 0.456 308 I N 6.247 126.602 120.570 -0.358 0.000 2.352 308 I HA 0.266 4.436 4.170 -0.000 0.000 0.290 308 I C -2.107 173.832 176.117 -0.297 0.000 1.036 308 I CA -2.512 58.436 61.300 -0.586 0.000 1.336 308 I CB 1.122 38.762 38.000 -0.600 0.000 1.407 308 I HN 0.285 nan 8.210 nan 0.000 0.497 309 P HA 0.075 nan 4.420 nan 0.000 0.271 309 P C -0.393 176.852 177.300 -0.091 0.000 1.218 309 P CA -0.336 62.704 63.100 -0.100 0.000 0.780 309 P CB 0.591 32.272 31.700 -0.031 0.000 0.901 310 A N 2.631 125.402 122.820 -0.083 0.000 2.603 310 A HA 0.328 4.648 4.320 -0.000 0.000 0.235 310 A C 1.537 179.106 177.584 -0.025 0.000 1.035 310 A CA 0.995 52.990 52.037 -0.070 0.000 0.755 310 A CB -1.589 17.375 19.000 -0.060 0.000 0.954 310 A HN 0.925 nan 8.150 nan 0.000 0.511 311 G N 1.609 110.403 108.800 -0.010 0.000 2.143 311 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.249 311 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.249 311 G C 0.297 175.278 174.900 0.136 0.000 0.981 311 G CA 0.431 45.556 45.100 0.043 0.000 0.665 311 G HN 0.848 nan 8.290 nan 0.000 0.528 312 R N -0.045 120.545 120.500 0.150 0.000 2.598 312 R HA 0.570 4.909 4.340 -0.000 0.000 0.279 312 R C 0.722 177.181 176.300 0.265 0.000 0.984 312 R CA -0.831 55.455 56.100 0.311 0.000 0.999 312 R CB 0.839 31.334 30.300 0.326 0.000 1.114 312 R HN 0.325 nan 8.270 nan 0.000 0.493 313 R N 0.301 120.965 120.500 0.273 0.000 2.582 313 R HA 0.379 4.719 4.340 -0.000 0.000 0.271 313 R C -0.431 176.006 176.300 0.228 0.000 1.078 313 R CA -0.300 55.839 56.100 0.064 0.000 1.127 313 R CB 0.846 30.962 30.300 -0.308 0.000 1.038 313 R HN 0.209 nan 8.270 nan 0.000 0.500 314 V N 3.935 123.949 119.914 0.167 0.000 2.524 314 V HA 0.174 4.294 4.120 -0.000 0.000 0.297 314 V C -0.937 175.214 176.094 0.096 0.000 1.035 314 V CA -0.872 61.559 62.300 0.217 0.000 0.867 314 V CB 1.648 33.627 31.823 0.261 0.000 1.004 314 V HN 0.481 nan 8.190 nan 0.000 0.426 315 L N 6.456 127.743 121.223 0.106 0.000 2.315 315 L HA 0.451 4.791 4.340 -0.000 0.000 0.283 315 L C -0.270 176.560 176.870 -0.066 0.000 1.089 315 L CA 0.340 55.194 54.840 0.024 0.000 0.833 315 L CB 0.512 42.636 42.059 0.107 0.000 1.170 315 L HN 0.549 nan 8.230 nan 0.000 0.442 316 L N 7.069 128.174 121.223 -0.197 0.000 2.295 316 L HA 0.238 4.578 4.340 -0.000 0.000 0.288 316 L C -0.070 176.543 176.870 -0.429 0.000 1.079 316 L CA -0.257 54.390 54.840 -0.322 0.000 0.830 316 L CB 0.298 42.090 42.059 -0.446 0.000 1.200 316 L HN 0.543 nan 8.230 nan 0.000 0.438 317 L N 4.748 125.831 121.223 -0.233 0.000 2.384 317 L HA 0.057 4.396 4.340 -0.000 0.000 0.258 317 L C 0.829 177.642 176.870 -0.095 0.000 1.266 317 L CA -0.374 54.343 54.840 -0.206 0.000 1.162 317 L CB -0.295 41.605 42.059 -0.266 0.000 1.375 317 L HN 0.587 nan 8.230 nan 0.000 0.420 318 Y N 1.721 122.019 120.300 -0.002 0.000 2.139 318 Y HA -0.257 4.293 4.550 -0.000 0.000 0.282 318 Y C 2.354 178.270 175.900 0.027 0.000 1.179 318 Y CA 1.277 59.390 58.100 0.021 0.000 1.161 318 Y CB -1.072 37.407 38.460 0.032 0.000 0.970 318 Y HN 0.545 nan 8.280 nan 0.000 0.511 319 G N -1.827 107.093 108.800 0.199 0.000 2.432 319 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.219 319 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.219 319 G C 2.002 176.996 174.900 0.157 0.000 1.135 319 G CA 1.238 46.485 45.100 0.245 0.000 0.767 319 G HN 0.451 nan 8.290 nan 0.000 0.550 320 S N 0.282 115.877 115.700 -0.174 0.000 2.388 320 S HA 0.250 4.720 4.470 -0.000 0.000 0.223 320 S C 2.750 177.392 174.600 0.069 0.000 1.034 320 S CA 1.249 59.356 58.200 -0.154 0.000 0.963 320 S CB -0.403 62.533 63.200 -0.439 0.000 0.827 320 S HN 0.482 nan 8.310 nan 0.000 0.481 321 A N 2.388 125.265 122.820 0.094 0.000 1.917 321 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 321 A C 1.931 179.738 177.584 0.373 0.000 1.182 321 A CA 1.918 54.083 52.037 0.212 0.000 0.633 321 A CB -0.993 18.114 19.000 0.177 0.000 0.819 321 A HN 0.601 nan 8.150 nan 0.000 0.448 322 N N -0.606 118.263 118.700 0.281 0.000 2.520 322 N HA -0.060 4.680 4.740 -0.000 0.000 0.185 322 N C 1.204 176.760 175.510 0.076 0.000 1.068 322 N CA 0.803 53.976 53.050 0.205 0.000 0.911 322 N CB -0.188 38.324 38.487 0.041 0.000 0.961 322 N HN 0.529 nan 8.380 nan 0.000 0.446 323 R N -0.165 120.421 120.500 0.143 0.000 2.577 323 R HA 0.116 4.456 4.340 -0.000 0.000 0.344 323 R C -0.569 175.827 176.300 0.161 0.000 1.037 323 R CA -0.309 55.841 56.100 0.084 0.000 1.102 323 R CB 0.525 30.852 30.300 0.045 0.000 1.313 323 R HN -0.019 nan 8.270 nan 0.000 0.561 324 D N 1.081 121.622 120.400 0.235 0.000 2.338 324 D HA -0.007 4.633 4.640 -0.000 0.000 0.255 324 D C 0.473 176.822 176.300 0.081 0.000 1.237 324 D CA 0.167 54.249 54.000 0.136 0.000 0.883 324 D CB 1.201 42.073 40.800 0.121 0.000 1.087 324 D HN -0.007 nan 8.370 nan 0.000 0.485 325 E N 2.439 122.668 120.200 0.047 0.000 2.273 325 E HA -0.174 4.176 4.350 -0.000 0.000 0.198 325 E C 1.709 178.281 176.600 -0.048 0.000 1.002 325 E CA 1.018 57.426 56.400 0.013 0.000 0.828 325 E CB 0.111 29.816 29.700 0.008 0.000 0.747 325 E HN 0.461 nan 8.360 nan 0.000 0.491 326 R N -0.345 120.114 120.500 -0.068 0.000 2.148 326 R HA -0.111 4.229 4.340 -0.000 0.000 0.227 326 R C 2.098 178.266 176.300 -0.222 0.000 1.103 326 R CA 1.294 57.329 56.100 -0.110 0.000 0.983 326 R CB -0.008 30.248 30.300 -0.074 0.000 0.874 326 R HN 0.103 nan 8.270 nan 0.000 0.451 327 Q N -0.804 118.778 119.800 -0.363 0.000 2.387 327 Q HA 0.013 4.353 4.340 -0.000 0.000 0.212 327 Q C 0.625 176.133 176.000 -0.819 0.000 0.925 327 Q CA 1.151 56.495 55.803 -0.764 0.000 0.901 327 Q CB 0.350 28.258 28.738 -1.383 0.000 1.020 327 Q HN 0.384 nan 8.270 nan 0.000 0.545 328 Y N -0.371 119.822 120.300 -0.179 0.000 2.467 328 Y HA 0.515 5.065 4.550 -0.000 0.000 0.250 328 Y C 0.771 176.612 175.900 -0.098 0.000 1.155 328 Y CA -0.033 57.983 58.100 -0.140 0.000 1.249 328 Y CB 1.182 39.567 38.460 -0.125 0.000 1.146 328 Y HN 0.222 nan 8.280 nan 0.000 0.524 329 G N 0.954 109.750 108.800 -0.007 0.000 2.756 329 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.678 329 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.678 329 G C -2.334 172.571 174.900 0.008 0.000 1.349 329 G CA -0.787 44.308 45.100 -0.009 0.000 0.847 329 G HN 0.027 nan 8.290 nan 0.000 0.548 330 P HA 0.082 nan 4.420 nan 0.000 0.230 330 P C 0.893 178.196 177.300 0.004 0.000 1.158 330 P CA 1.643 64.745 63.100 0.002 0.000 0.769 330 P CB 0.054 31.754 31.700 -0.000 0.000 0.807 331 D N -1.515 118.886 120.400 0.003 0.000 2.427 331 D HA 0.148 4.788 4.640 -0.000 0.000 0.224 331 D C 1.404 177.695 176.300 -0.015 0.000 1.157 331 D CA -0.341 53.655 54.000 -0.006 0.000 0.828 331 D CB -0.688 40.107 40.800 -0.009 0.000 0.974 331 D HN -0.033 nan 8.370 nan 0.000 0.498 332 A N 0.959 123.781 122.820 0.002 0.000 1.997 332 A HA -0.070 4.250 4.320 -0.000 0.000 0.221 332 A C 2.282 179.816 177.584 -0.083 0.000 1.172 332 A CA 1.816 53.849 52.037 -0.007 0.000 0.645 332 A CB -0.654 18.381 19.000 0.058 0.000 0.813 332 A HN 0.421 nan 8.150 nan 0.000 0.454 333 A N -1.004 121.769 122.820 -0.078 0.000 2.206 333 A HA 0.175 4.495 4.320 -0.000 0.000 0.211 333 A C 0.772 178.267 177.584 -0.148 0.000 1.158 333 A CA 0.378 52.332 52.037 -0.139 0.000 0.761 333 A CB -0.073 18.877 19.000 -0.083 0.000 0.801 333 A HN 0.631 nan 8.150 nan 0.000 0.473 334 E N -1.022 119.117 120.200 -0.101 0.000 2.212 334 E HA 0.468 4.818 4.350 -0.000 0.000 0.270 334 E C -1.224 175.326 176.600 -0.084 0.000 0.956 334 E CA -1.026 55.329 56.400 -0.075 0.000 0.825 334 E CB 1.717 31.391 29.700 -0.042 0.000 1.167 334 E HN 0.202 nan 8.360 nan 0.000 0.400 335 L N 2.526 123.711 121.223 -0.063 0.000 2.361 335 L HA 0.215 4.555 4.340 -0.000 0.000 0.278 335 L C -0.893 175.953 176.870 -0.041 0.000 1.113 335 L CA 0.433 55.239 54.840 -0.055 0.000 0.849 335 L CB 0.424 42.468 42.059 -0.026 0.000 1.155 335 L HN 0.383 nan 8.230 nan 0.000 0.452 336 D N 3.296 123.667 120.400 -0.048 0.000 2.358 336 D HA 0.127 4.766 4.640 -0.000 0.000 0.253 336 D C 0.759 177.042 176.300 -0.030 0.000 1.288 336 D CA -0.257 53.724 54.000 -0.032 0.000 0.950 336 D CB 1.263 42.045 40.800 -0.031 0.000 1.197 336 D HN 0.344 nan 8.370 nan 0.000 0.550 337 V N 2.008 121.912 119.914 -0.016 0.000 3.241 337 V HA -0.034 4.086 4.120 -0.000 0.000 0.269 337 V C 1.412 177.502 176.094 -0.007 0.000 1.151 337 V CA 1.986 64.280 62.300 -0.010 0.000 1.158 337 V CB -1.177 30.649 31.823 0.004 0.000 0.764 337 V HN 0.635 nan 8.190 nan 0.000 0.508 338 T N -3.213 111.337 114.554 -0.007 0.000 3.069 338 T HA 0.161 4.511 4.350 -0.000 0.000 0.252 338 T C 1.717 176.414 174.700 -0.006 0.000 1.053 338 T CA 0.434 62.532 62.100 -0.003 0.000 0.964 338 T CB -0.220 68.647 68.868 -0.001 0.000 1.005 338 T HN 0.502 nan 8.240 nan 0.000 0.532 339 R N 0.599 121.091 120.500 -0.014 0.000 2.103 339 R HA -0.066 4.274 4.340 -0.000 0.000 0.242 339 R C 0.426 176.725 176.300 -0.001 0.000 1.142 339 R CA 1.315 57.409 56.100 -0.011 0.000 0.960 339 R CB -1.003 29.279 30.300 -0.031 0.000 0.858 339 R HN 0.525 nan 8.270 nan 0.000 0.439 340 C N 0.858 120.156 119.300 -0.003 0.000 3.896 340 C HA -0.067 4.392 4.460 -0.000 0.000 0.300 340 C C -2.206 172.796 174.990 0.021 0.000 1.322 340 C CA -0.675 58.348 59.018 0.008 0.000 2.130 340 C CB -2.061 25.687 27.740 0.012 0.000 1.363 340 C HN 0.466 nan 8.230 nan 0.000 0.642 341 P HA 0.259 nan 4.420 nan 0.000 0.268 341 P C 0.207 177.574 177.300 0.113 0.000 1.204 341 P CA 0.775 63.917 63.100 0.069 0.000 0.768 341 P CB 0.585 32.200 31.700 -0.142 0.000 0.842 342 R N 2.412 123.003 120.500 0.151 0.000 2.643 342 R HA 0.270 4.610 4.340 -0.000 0.000 0.272 342 R C 0.501 176.820 176.300 0.032 0.000 0.995 342 R CA -0.863 55.268 56.100 0.051 0.000 1.032 342 R CB -0.037 30.243 30.300 -0.034 0.000 1.126 342 R HN 0.452 nan 8.270 nan 0.000 0.505 343 N N 0.555 119.242 118.700 -0.022 0.000 2.727 343 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 343 N C 0.113 175.734 175.510 0.185 0.000 1.048 343 N CA 0.876 53.825 53.050 -0.169 0.000 0.714 343 N CB -1.542 36.399 38.487 -0.911 0.000 0.959 343 N HN 0.645 nan 8.380 nan 0.000 0.544 344 I N -3.390 117.345 120.570 0.274 0.000 2.938 344 I HA 0.056 4.226 4.170 -0.000 0.000 0.285 344 I C 1.236 177.533 176.117 0.300 0.000 1.182 344 I CA -0.164 61.298 61.300 0.270 0.000 1.388 344 I CB 0.442 38.489 38.000 0.080 0.000 1.390 344 I HN -0.002 nan 8.210 nan 0.000 0.600 345 L N 3.211 124.545 121.223 0.185 0.000 2.667 345 L HA 0.100 4.440 4.340 -0.000 0.000 0.232 345 L C 1.955 178.676 176.870 -0.248 0.000 1.138 345 L CA 0.214 55.079 54.840 0.041 0.000 0.921 345 L CB -0.125 42.005 42.059 0.119 0.000 1.180 345 L HN 0.848 nan 8.230 nan 0.000 0.487 346 T N -0.189 114.203 114.554 -0.271 0.000 2.803 346 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 346 T C 0.897 175.189 174.700 -0.680 0.000 1.052 346 T CA 1.569 63.352 62.100 -0.529 0.000 1.136 346 T CB -0.216 68.179 68.868 -0.788 0.000 0.864 346 T HN 0.145 nan 8.240 nan 0.000 0.467 347 F N 1.197 121.037 119.950 -0.184 0.000 2.639 347 F HA 0.545 5.072 4.527 -0.000 0.000 0.300 347 F C 1.244 176.837 175.800 -0.345 0.000 1.109 347 F CA -0.724 57.100 58.000 -0.293 0.000 1.335 347 F CB -0.938 37.830 39.000 -0.387 0.000 1.014 347 F HN 0.012 nan 8.300 nan 0.000 0.537 348 S N 0.345 115.807 115.700 -0.398 0.000 3.307 348 S HA -0.299 4.171 4.470 -0.000 0.000 0.634 348 S C -0.817 173.782 174.600 -0.002 0.000 2.711 348 S CA 0.872 58.823 58.200 -0.415 0.000 2.940 348 S CB -0.590 62.456 63.200 -0.255 0.000 0.331 348 S HN 0.739 nan 8.310 nan 0.000 1.766 349 H N -0.071 118.895 119.070 -0.173 0.000 3.085 349 H HA 0.576 5.132 4.556 -0.000 0.000 0.356 349 H C 0.001 175.193 175.328 -0.226 0.000 1.178 349 H CA 1.585 57.451 56.048 -0.304 0.000 1.214 349 H CB 0.839 30.033 29.762 -0.946 0.000 1.881 349 H HN 1.940 nan 8.280 nan 0.000 0.538 350 G N 1.748 110.200 108.800 -0.580 0.000 2.466 350 G HA2 0.071 4.031 3.960 -0.000 0.000 0.218 350 G HA3 0.071 4.031 3.960 -0.000 0.000 0.218 350 G C 1.028 175.829 174.900 -0.165 0.000 1.237 350 G CA 0.581 45.410 45.100 -0.453 0.000 0.954 350 G HN 1.368 nan 8.290 nan 0.000 0.580 351 A N -1.447 121.287 122.820 -0.144 0.000 1.940 351 A HA 0.003 4.323 4.320 -0.000 0.000 0.219 351 A C 1.732 179.154 177.584 -0.270 0.000 1.176 351 A CA 2.398 54.285 52.037 -0.250 0.000 0.631 351 A CB -0.600 18.082 19.000 -0.529 0.000 0.814 351 A HN 0.811 nan 8.150 nan 0.000 0.446 352 H N -1.510 117.516 119.070 -0.072 0.000 2.529 352 H HA 0.044 4.599 4.556 -0.000 0.000 0.277 352 H C 0.260 175.600 175.328 0.021 0.000 1.004 352 H CA -0.107 55.929 56.048 -0.020 0.000 1.167 352 H CB -0.454 29.263 29.762 -0.074 0.000 1.445 352 H HN 0.653 nan 8.280 nan 0.000 0.554 353 H N 1.342 120.420 119.070 0.014 0.000 3.173 353 H HA -0.118 4.438 4.556 -0.000 0.000 0.311 353 H C 0.089 175.412 175.328 -0.009 0.000 0.972 353 H CA 0.251 56.304 56.048 0.008 0.000 1.384 353 H CB 0.539 30.295 29.762 -0.010 0.000 1.349 353 H HN 0.282 nan 8.280 nan 0.000 0.582 354 C N 6.920 125.925 119.300 -0.492 0.000 2.523 354 C HA -0.049 4.411 4.460 -0.000 0.000 0.406 354 C C 2.157 176.897 174.990 -0.417 0.000 1.449 354 C CA -0.343 58.466 59.018 -0.349 0.000 1.588 354 C CB -1.681 25.893 27.740 -0.277 0.000 2.514 354 C HN 0.902 nan 8.230 nan 0.000 0.606 355 L N 4.928 125.922 121.223 -0.383 0.000 2.201 355 L HA 0.065 4.405 4.340 -0.000 0.000 0.212 355 L C 2.423 178.960 176.870 -0.555 0.000 1.105 355 L CA 1.533 56.010 54.840 -0.605 0.000 0.775 355 L CB -0.370 41.025 42.059 -1.108 0.000 0.913 355 L HN 0.990 nan 8.230 nan 0.000 0.440 356 G N -1.414 107.136 108.800 -0.416 0.000 3.181 356 G HA2 0.157 4.117 3.960 -0.000 0.000 0.219 356 G HA3 0.157 4.117 3.960 -0.000 0.000 0.219 356 G C 1.549 176.213 174.900 -0.393 0.000 1.182 356 G CA 0.516 45.439 45.100 -0.294 0.000 0.791 356 G HN 0.365 nan 8.290 nan 0.000 0.537 357 A N 1.324 123.775 122.820 -0.615 0.000 1.892 357 A HA 0.095 4.414 4.320 -0.000 0.000 0.218 357 A C 2.783 180.037 177.584 -0.550 0.000 1.188 357 A CA 2.319 53.679 52.037 -1.127 0.000 0.631 357 A CB -0.728 17.620 19.000 -1.088 0.000 0.822 357 A HN 0.739 nan 8.150 nan 0.000 0.447 358 A N -0.427 122.251 122.820 -0.236 0.000 1.902 358 A HA 0.176 4.495 4.320 -0.000 0.000 0.217 358 A C 2.506 180.084 177.584 -0.010 0.000 1.181 358 A CA 2.133 54.136 52.037 -0.057 0.000 0.623 358 A CB -0.993 18.032 19.000 0.041 0.000 0.818 358 A HN 1.115 nan 8.150 nan 0.000 0.443 359 A N -0.227 122.581 122.820 -0.020 0.000 1.930 359 A HA 0.206 4.525 4.320 -0.000 0.000 0.217 359 A C 2.478 180.064 177.584 0.004 0.000 1.175 359 A CA 1.937 53.992 52.037 0.030 0.000 0.627 359 A CB -0.914 18.048 19.000 -0.063 0.000 0.815 359 A HN 0.993 nan 8.150 nan 0.000 0.443 360 A N -0.135 122.658 122.820 -0.045 0.000 1.873 360 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 360 A C 2.234 179.857 177.584 0.065 0.000 1.186 360 A CA 1.504 53.558 52.037 0.028 0.000 0.616 360 A CB -0.463 18.606 19.000 0.116 0.000 0.823 360 A HN 0.530 nan 8.150 nan 0.000 0.442 361 R N -1.269 119.266 120.500 0.059 0.000 2.091 361 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 361 R C 2.366 178.700 176.300 0.056 0.000 1.136 361 R CA 1.636 57.785 56.100 0.081 0.000 0.959 361 R CB -0.389 29.953 30.300 0.071 0.000 0.856 361 R HN 0.599 nan 8.270 nan 0.000 0.437 362 M N 1.149 120.779 119.600 0.050 0.000 2.117 362 M HA -0.228 4.252 4.480 -0.000 0.000 0.262 362 M C 1.728 178.056 176.300 0.047 0.000 1.065 362 M CA 1.893 57.225 55.300 0.053 0.000 1.114 362 M CB -0.275 32.366 32.600 0.068 0.000 1.361 362 M HN 0.187 nan 8.290 nan 0.000 0.408 363 Q N -0.907 118.919 119.800 0.043 0.000 2.050 363 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 363 Q C 2.393 178.401 176.000 0.012 0.000 0.980 363 Q CA 1.858 57.681 55.803 0.034 0.000 0.840 363 Q CB -0.496 28.257 28.738 0.025 0.000 0.898 363 Q HN 0.659 nan 8.270 nan 0.000 0.424 364 C N 0.952 120.251 119.300 -0.000 0.000 2.398 364 C HA -0.213 4.247 4.460 -0.000 0.000 0.276 364 C C 2.837 177.828 174.990 0.001 0.000 1.222 364 C CA 1.274 60.278 59.018 -0.024 0.000 1.746 364 C CB -0.815 26.922 27.740 -0.005 0.000 2.039 364 C HN 0.497 nan 8.230 nan 0.000 0.470 365 R N -0.069 120.445 120.500 0.024 0.000 2.080 365 R HA -0.123 4.217 4.340 -0.000 0.000 0.236 365 R C 2.037 178.358 176.300 0.035 0.000 1.137 365 R CA 2.526 58.645 56.100 0.032 0.000 0.943 365 R CB -0.483 29.841 30.300 0.039 0.000 0.846 365 R HN 0.440 nan 8.270 nan 0.000 0.431 366 V N 1.217 121.155 119.914 0.040 0.000 2.392 366 V HA -0.249 3.871 4.120 -0.000 0.000 0.249 366 V C 2.519 178.644 176.094 0.052 0.000 1.059 366 V CA 1.969 64.297 62.300 0.048 0.000 1.051 366 V CB -0.848 31.009 31.823 0.056 0.000 0.658 366 V HN 0.592 nan 8.190 nan 0.000 0.455 367 A N -0.157 122.692 122.820 0.050 0.000 1.873 367 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 367 A C 2.146 179.761 177.584 0.052 0.000 1.186 367 A CA 1.900 53.979 52.037 0.069 0.000 0.616 367 A CB -0.558 18.476 19.000 0.057 0.000 0.823 367 A HN 0.440 nan 8.150 nan 0.000 0.442 368 L N -0.044 121.198 121.223 0.031 0.000 2.093 368 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 368 L C 2.385 179.289 176.870 0.056 0.000 1.085 368 L CA 2.758 57.621 54.840 0.039 0.000 0.755 368 L CB -1.160 40.918 42.059 0.032 0.000 0.904 368 L HN 0.379 nan 8.230 nan 0.000 0.435 369 T N -0.234 114.350 114.554 0.050 0.000 2.652 369 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 369 T C 1.675 176.407 174.700 0.055 0.000 1.039 369 T CA 1.744 63.875 62.100 0.051 0.000 1.153 369 T CB -0.207 68.687 68.868 0.044 0.000 0.863 369 T HN 0.381 nan 8.240 nan 0.000 0.428 370 E N 0.785 121.015 120.200 0.050 0.000 2.152 370 E HA 0.028 4.378 4.350 -0.000 0.000 0.192 370 E C 2.214 178.846 176.600 0.053 0.000 0.983 370 E CA 0.339 56.766 56.400 0.045 0.000 0.818 370 E CB -0.519 29.201 29.700 0.033 0.000 0.758 370 E HN 0.319 nan 8.360 nan 0.000 0.467 371 L N 0.831 122.086 121.223 0.054 0.000 2.017 371 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 371 L C 2.194 179.146 176.870 0.137 0.000 1.073 371 L CA 1.438 56.316 54.840 0.063 0.000 0.745 371 L CB -0.462 41.602 42.059 0.007 0.000 0.894 371 L HN 0.048 nan 8.230 nan 0.000 0.432 372 L N -0.786 120.515 121.223 0.130 0.000 2.141 372 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 372 L C 2.534 179.473 176.870 0.115 0.000 1.094 372 L CA 1.012 55.941 54.840 0.148 0.000 0.763 372 L CB -0.737 41.393 42.059 0.118 0.000 0.908 372 L HN 0.396 nan 8.230 nan 0.000 0.437 373 A N -0.293 122.579 122.820 0.088 0.000 2.021 373 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 373 A C 2.272 179.898 177.584 0.069 0.000 1.163 373 A CA 0.874 52.952 52.037 0.068 0.000 0.676 373 A CB -0.103 18.928 19.000 0.052 0.000 0.818 373 A HN 0.335 nan 8.150 nan 0.000 0.453 374 R N -2.552 117.996 120.500 0.081 0.000 2.369 374 R HA 0.188 4.528 4.340 -0.000 0.000 0.210 374 R C -0.335 176.030 176.300 0.109 0.000 0.881 374 R CA 0.607 56.753 56.100 0.077 0.000 1.031 374 R CB 0.579 30.913 30.300 0.058 0.000 1.184 374 R HN 0.411 nan 8.270 nan 0.000 0.581 375 C N 1.127 120.526 119.300 0.164 0.000 3.158 375 C HA 0.285 4.744 4.460 -0.000 0.000 0.228 375 C C -1.847 173.353 174.990 0.350 0.000 2.110 375 C CA -1.093 58.070 59.018 0.243 0.000 1.407 375 C CB 0.886 28.833 27.740 0.345 0.000 2.635 375 C HN 0.187 nan 8.230 nan 0.000 0.509 376 P HA -0.044 nan 4.420 nan 0.000 0.215 376 P C 0.543 177.921 177.300 0.131 0.000 1.153 376 P CA 2.175 65.400 63.100 0.209 0.000 0.853 376 P CB 0.051 31.817 31.700 0.109 0.000 0.788 377 D N 0.395 120.845 120.400 0.084 0.000 2.619 377 D HA 0.309 4.948 4.640 -0.000 0.000 0.224 377 D C -0.025 176.287 176.300 0.021 0.000 1.133 377 D CA -0.706 53.295 54.000 0.001 0.000 1.017 377 D CB -1.717 39.078 40.800 -0.009 0.000 1.077 377 D HN 0.196 nan 8.370 nan 0.000 0.503 378 F N -1.715 118.239 119.950 0.007 0.000 2.432 378 F HA 0.790 5.317 4.527 -0.000 0.000 0.329 378 F C -0.001 175.753 175.800 -0.077 0.000 1.076 378 F CA -1.455 56.462 58.000 -0.138 0.000 1.018 378 F CB 1.607 40.593 39.000 -0.023 0.000 1.201 378 F HN 0.042 nan 8.300 nan 0.000 0.489 379 E N 1.718 121.850 120.200 -0.114 0.000 2.248 379 E HA 0.611 4.961 4.350 -0.000 0.000 0.267 379 E C -1.567 174.890 176.600 -0.238 0.000 0.877 379 E CA -1.064 55.159 56.400 -0.294 0.000 0.759 379 E CB 2.964 32.556 29.700 -0.180 0.000 1.182 379 E HN 0.560 nan 8.360 nan 0.000 0.418 380 V N 1.481 121.103 119.914 -0.488 0.000 2.735 380 V HA 0.629 4.749 4.120 -0.000 0.000 0.310 380 V C -0.633 175.359 176.094 -0.170 0.000 1.061 380 V CA -0.767 61.448 62.300 -0.142 0.000 0.913 380 V CB 1.869 33.738 31.823 0.076 0.000 1.005 380 V HN 0.781 nan 8.190 nan 0.000 0.428 381 A N 2.425 125.223 122.820 -0.037 0.000 2.260 381 A HA 0.549 4.869 4.320 -0.000 0.000 0.314 381 A C 0.787 178.409 177.584 0.063 0.000 1.257 381 A CA -0.428 51.620 52.037 0.018 0.000 0.871 381 A CB 0.380 19.391 19.000 0.019 0.000 1.166 381 A HN 0.937 nan 8.150 nan 0.000 0.522 382 E N 2.400 122.667 120.200 0.111 0.000 2.110 382 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 382 E C 2.353 179.041 176.600 0.147 0.000 0.988 382 E CA 1.283 57.778 56.400 0.158 0.000 0.804 382 E CB -0.094 29.726 29.700 0.200 0.000 0.745 382 E HN 0.914 nan 8.360 nan 0.000 0.458 383 S N 1.525 117.291 115.700 0.110 0.000 2.419 383 S HA -0.156 4.314 4.470 -0.000 0.000 0.235 383 S C 2.013 176.660 174.600 0.078 0.000 1.019 383 S CA 1.211 59.467 58.200 0.093 0.000 0.982 383 S CB -0.275 62.966 63.200 0.068 0.000 0.789 383 S HN 0.067 nan 8.310 nan 0.000 0.490 384 R N -0.303 120.232 120.500 0.058 0.000 2.362 384 R HA 0.365 4.705 4.340 -0.000 0.000 0.227 384 R C -0.283 176.018 176.300 0.001 0.000 0.905 384 R CA -0.256 55.862 56.100 0.030 0.000 1.067 384 R CB 0.193 30.503 30.300 0.016 0.000 1.078 384 R HN 0.422 nan 8.270 nan 0.000 0.516 385 I N 1.790 122.359 120.570 -0.001 0.000 2.618 385 I HA -0.012 4.158 4.170 -0.000 0.000 0.284 385 I C 0.019 176.038 176.117 -0.165 0.000 1.146 385 I CA 0.094 61.309 61.300 -0.141 0.000 1.425 385 I CB 0.987 38.865 38.000 -0.204 0.000 1.383 385 I HN -0.236 nan 8.210 nan 0.000 0.562 386 V N 6.301 126.068 119.914 -0.246 0.000 2.398 386 V HA 0.269 4.389 4.120 -0.000 0.000 0.286 386 V C -0.641 175.287 176.094 -0.277 0.000 1.026 386 V CA -0.567 61.653 62.300 -0.134 0.000 0.868 386 V CB 1.288 33.082 31.823 -0.049 0.000 0.982 386 V HN 0.565 nan 8.190 nan 0.000 0.443 387 W N 2.378 123.718 121.300 0.068 0.000 2.438 387 W HA 0.564 5.224 4.660 -0.000 0.000 0.324 387 W C 0.890 177.469 176.519 0.100 0.000 1.119 387 W CA -0.186 57.206 57.345 0.078 0.000 1.221 387 W CB 1.511 31.058 29.460 0.145 0.000 1.253 387 W HN 0.560 nan 8.180 nan 0.000 0.555 388 S N 1.822 117.689 115.700 0.279 0.000 2.579 388 S HA 0.443 4.913 4.470 -0.000 0.000 0.275 388 S C 0.677 175.478 174.600 0.334 0.000 1.345 388 S CA -0.115 58.218 58.200 0.221 0.000 1.031 388 S CB 0.153 63.440 63.200 0.144 0.000 0.892 388 S HN 0.650 nan 8.310 nan 0.000 0.529 389 G N 1.159 110.107 108.800 0.246 0.000 2.684 389 G HA2 0.526 4.486 3.960 -0.000 0.000 0.255 389 G HA3 0.526 4.486 3.960 -0.000 0.000 0.255 389 G C 0.426 175.497 174.900 0.285 0.000 1.219 389 G CA -0.051 45.193 45.100 0.239 0.000 0.901 389 G HN 1.685 nan 8.290 nan 0.000 0.548 390 G N -1.847 107.096 108.800 0.238 0.000 2.885 390 G HA2 0.168 4.128 3.960 -0.000 0.000 0.685 390 G HA3 0.168 4.128 3.960 -0.000 0.000 0.685 390 G C 0.296 175.366 174.900 0.284 0.000 1.216 390 G CA 0.175 45.420 45.100 0.242 0.000 0.790 390 G HN 1.114 nan 8.290 nan 0.000 0.631 391 S N 0.551 116.260 115.700 0.016 0.000 2.575 391 S HA 0.220 4.690 4.470 -0.000 0.000 0.215 391 S C 1.183 175.597 174.600 -0.311 0.000 0.966 391 S CA 1.008 59.019 58.200 -0.315 0.000 0.911 391 S CB 0.019 62.838 63.200 -0.635 0.000 0.780 391 S HN 0.572 nan 8.310 nan 0.000 0.514 392 Y N 0.160 120.687 120.300 0.377 0.000 2.607 392 Y HA 0.372 4.922 4.550 -0.000 0.000 0.276 392 Y C 0.678 176.732 175.900 0.257 0.000 1.117 392 Y CA -0.230 58.042 58.100 0.286 0.000 1.273 392 Y CB 0.305 38.850 38.460 0.141 0.000 1.282 392 Y HN -0.049 nan 8.280 nan 0.000 0.514 393 V N 2.063 122.166 119.914 0.314 0.000 2.398 393 V HA 0.381 4.501 4.120 -0.000 0.000 0.286 393 V C -0.339 175.590 176.094 -0.276 0.000 1.026 393 V CA -1.024 61.313 62.300 0.062 0.000 0.868 393 V CB 1.629 33.506 31.823 0.090 0.000 0.982 393 V HN 0.086 nan 8.190 nan 0.000 0.443 394 R N 5.241 125.375 120.500 -0.610 0.000 2.215 394 R HA 0.690 5.030 4.340 -0.000 0.000 0.336 394 R C -0.490 175.651 176.300 -0.264 0.000 0.996 394 R CA -0.597 54.865 56.100 -1.064 0.000 0.847 394 R CB 0.565 30.128 30.300 -1.228 0.000 1.127 394 R HN 0.911 nan 8.270 nan 0.000 0.465 395 R N 3.284 123.776 120.500 -0.013 0.000 2.594 395 R HA 0.499 4.839 4.340 -0.000 0.000 0.265 395 R C -3.076 173.258 176.300 0.056 0.000 1.070 395 R CA -1.957 54.204 56.100 0.101 0.000 0.909 395 R CB 1.436 31.738 30.300 0.004 0.000 1.243 395 R HN 0.308 nan 8.270 nan 0.000 0.455 396 P HA 0.188 nan 4.420 nan 0.000 0.284 396 P C 0.106 177.270 177.300 -0.227 0.000 1.253 396 P CA -0.662 62.117 63.100 -0.535 0.000 0.800 396 P CB 1.060 32.290 31.700 -0.784 0.000 0.961 397 L N 0.528 121.646 121.223 -0.176 0.000 2.270 397 L HA 0.074 4.414 4.340 -0.000 0.000 0.210 397 L C 1.144 177.951 176.870 -0.104 0.000 1.104 397 L CA 1.172 55.960 54.840 -0.086 0.000 0.804 397 L CB -0.019 42.018 42.059 -0.037 0.000 0.937 397 L HN 0.458 nan 8.230 nan 0.000 0.450 398 S N -0.693 114.907 115.700 -0.167 0.000 2.566 398 S HA 0.487 4.957 4.470 -0.000 0.000 0.273 398 S C -1.079 173.418 174.600 -0.171 0.000 1.157 398 S CA -0.531 57.589 58.200 -0.133 0.000 0.938 398 S CB 1.860 65.006 63.200 -0.090 0.000 1.087 398 S HN -0.201 nan 8.310 nan 0.000 0.474 399 V N 6.015 125.856 119.914 -0.121 0.000 2.380 399 V HA 0.410 4.530 4.120 -0.000 0.000 0.272 399 V C -2.550 173.533 176.094 -0.018 0.000 1.011 399 V CA -1.750 60.499 62.300 -0.084 0.000 0.826 399 V CB 1.171 32.955 31.823 -0.065 0.000 1.040 399 V HN 0.718 nan 8.190 nan 0.000 0.441 400 P HA 0.075 nan 4.420 nan 0.000 0.262 400 P C -0.907 176.464 177.300 0.119 0.000 1.182 400 P CA 0.452 63.575 63.100 0.038 0.000 0.761 400 P CB 0.130 31.836 31.700 0.010 0.000 0.795 401 F N 2.879 122.788 119.950 -0.069 0.000 2.569 401 F HA 0.719 5.246 4.527 -0.000 0.000 0.312 401 F C -0.347 175.434 175.800 -0.031 0.000 1.109 401 F CA -0.536 57.430 58.000 -0.056 0.000 0.919 401 F CB 1.450 40.381 39.000 -0.116 0.000 1.211 401 F HN 0.209 nan 8.300 nan 0.000 0.446 402 R N 4.097 124.247 120.500 -0.584 0.000 2.628 402 R HA 0.902 5.242 4.340 -0.000 0.000 0.288 402 R C -1.877 174.064 176.300 -0.599 0.000 0.980 402 R CA -0.111 55.716 56.100 -0.455 0.000 0.891 402 R CB 0.853 31.024 30.300 -0.216 0.000 1.188 402 R HN 1.001 nan 8.270 nan 0.000 0.450 403 V N 0.000 119.667 119.914 -0.412 0.000 2.409 403 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 403 V CA 0.000 62.153 62.300 -0.245 0.000 1.235 403 V CB 0.000 31.724 31.823 -0.164 0.000 1.184 403 V HN 0.000 nan 8.190 nan 0.000 0.556