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_A 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 LVAAGVGADG 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 0.000 174.437 174.600 -0.272 0.000 1.055 6 S CA 0.000 58.129 58.200 -0.118 0.000 1.107 6 S CB 0.000 63.140 63.200 -0.099 0.000 0.593 7 H N 0.922 119.962 119.070 -0.051 0.000 2.652 7 H HA 0.244 4.827 4.556 0.045 0.000 0.274 7 H C 0.327 175.641 175.328 -0.024 0.000 1.021 7 H CA -0.098 55.932 56.048 -0.031 0.000 1.187 7 H CB 0.523 30.291 29.762 0.010 0.000 1.505 7 H HN 0.583 nan 8.280 nan 0.000 0.530 8 E N 1.191 121.424 120.200 0.055 0.000 2.392 8 E HA -0.008 4.368 4.350 0.044 0.000 0.264 8 E C -0.643 175.950 176.600 -0.011 0.000 1.024 8 E CA -0.399 56.024 56.400 0.037 0.000 0.903 8 E CB 0.195 29.907 29.700 0.019 0.000 0.963 8 E HN 0.031 nan 8.360 nan 0.000 0.432 9 F N 4.198 124.093 119.950 -0.092 0.000 2.578 9 F HA 0.128 4.678 4.527 0.038 0.000 0.376 9 F C 0.021 175.788 175.800 -0.054 0.000 1.085 9 F CA 0.596 58.537 58.000 -0.099 0.000 1.260 9 F CB 0.161 39.072 39.000 -0.148 0.000 1.095 9 F HN 0.461 nan 8.300 nan 0.000 0.573 10 Q N 5.389 124.479 119.800 -1.183 0.000 2.472 10 Q HA 0.469 4.835 4.340 0.044 0.000 0.281 10 Q C -1.857 173.456 176.000 -1.145 0.000 0.997 10 Q CA -1.179 54.092 55.803 -0.887 0.000 0.828 10 Q CB 1.680 30.146 28.738 -0.453 0.000 1.443 10 Q HN 0.661 nan 8.270 nan 0.000 0.390 11 L N 1.887 122.699 121.223 -0.686 0.000 2.416 11 L HA 0.495 4.861 4.340 0.044 0.000 0.272 11 L C 0.529 177.047 176.870 -0.587 0.000 1.161 11 L CA -0.367 54.158 54.840 -0.524 0.000 0.845 11 L CB 0.830 42.727 42.059 -0.270 0.000 1.119 11 L HN 0.879 nan 8.230 nan 0.000 0.464 12 A N 2.841 125.191 122.820 -0.783 0.000 2.466 12 A HA 0.449 4.795 4.320 0.044 0.000 0.238 12 A C 0.378 177.441 177.584 -0.868 0.000 1.074 12 A CA 0.226 51.584 52.037 -1.131 0.000 0.774 12 A CB 0.190 17.771 19.000 -2.365 0.000 1.015 12 A HN 0.790 nan 8.150 nan 0.000 0.498 13 T N -2.737 111.345 114.554 -0.786 0.000 2.864 13 T HA 0.633 5.009 4.350 0.044 0.000 0.289 13 T C 0.998 175.499 174.700 -0.331 0.000 1.082 13 T CA -0.002 61.848 62.100 -0.418 0.000 1.009 13 T CB 1.205 69.924 68.868 -0.249 0.000 1.234 13 T HN 1.452 nan 8.240 nan 0.000 0.526 14 A N 0.138 122.958 122.820 0.000 0.000 2.024 14 A HA -0.036 4.310 4.320 0.044 0.000 0.220 14 A C 1.902 179.549 177.584 0.105 0.000 1.164 14 A CA 1.842 54.007 52.037 0.213 0.000 0.643 14 A CB -1.098 18.035 19.000 0.221 0.000 0.806 14 A HN 0.874 nan 8.150 nan 0.000 0.451 15 E N -0.735 119.444 120.200 -0.034 0.000 2.274 15 E HA -0.064 4.312 4.350 0.044 0.000 0.194 15 E C 2.006 178.509 176.600 -0.162 0.000 0.996 15 E CA 1.518 57.880 56.400 -0.064 0.000 0.840 15 E CB -0.272 29.380 29.700 -0.081 0.000 0.772 15 E HN 0.812 nan 8.360 nan 0.000 0.491 16 T N -4.072 110.303 114.554 -0.298 0.000 3.001 16 T HA 0.014 4.390 4.350 0.044 0.000 0.251 16 T C 1.478 175.875 174.700 -0.505 0.000 1.040 16 T CA -0.389 61.459 62.100 -0.420 0.000 0.985 16 T CB -0.510 68.059 68.868 -0.498 0.000 1.011 16 T HN 0.228 nan 8.240 nan 0.000 0.509 17 W N 2.213 123.212 121.300 -0.502 0.000 2.364 17 W HA 0.048 4.754 4.660 0.077 0.000 0.281 17 W C -1.089 174.742 176.519 -1.147 0.000 1.219 17 W CA 0.015 56.885 57.345 -0.791 0.000 1.220 17 W CB -0.930 28.109 29.460 -0.701 0.000 1.127 17 W HN 0.350 nan 8.180 nan 0.000 0.556 18 P HA -0.179 nan 4.420 nan 0.000 0.215 18 P C 0.335 177.331 177.300 -0.506 0.000 1.153 18 P CA 1.824 64.600 63.100 -0.540 0.000 0.853 18 P CB 0.075 31.686 31.700 -0.150 0.000 0.788 19 N N -2.146 116.192 118.700 -0.603 0.000 2.716 19 N HA 0.128 4.894 4.740 0.044 0.000 0.245 19 N C -2.332 172.653 175.510 -0.876 0.000 1.495 19 N CA -1.497 51.115 53.050 -0.730 0.000 0.759 19 N CB 0.304 38.591 38.487 -0.334 0.000 1.261 19 N HN -0.084 nan 8.380 nan 0.000 0.515 20 P HA 0.084 nan 4.420 nan 0.000 0.245 20 P C 0.811 177.506 177.300 -1.008 0.000 1.206 20 P CA 0.194 62.633 63.100 -1.101 0.000 0.781 20 P CB 0.006 30.976 31.700 -1.218 0.000 0.994 21 W N 1.125 122.135 121.300 -0.484 0.000 2.374 21 W HA -0.034 4.641 4.660 0.025 0.000 0.288 21 W C -0.706 175.716 176.519 -0.162 0.000 1.218 21 W CA 0.238 57.386 57.345 -0.328 0.000 1.245 21 W CB -2.462 26.918 29.460 -0.134 0.000 1.126 21 W HN 0.159 nan 8.180 nan 0.000 0.545 22 P HA -0.200 nan 4.420 nan 0.000 0.217 22 P C 1.911 179.253 177.300 0.070 0.000 1.151 22 P CA 1.395 64.523 63.100 0.046 0.000 0.828 22 P CB -0.249 31.380 31.700 -0.118 0.000 0.788 23 M N -1.555 117.993 119.600 -0.086 0.000 2.132 23 M HA -0.153 4.353 4.480 0.044 0.000 0.263 23 M C 1.555 177.970 176.300 0.192 0.000 1.065 23 M CA 1.937 57.238 55.300 0.002 0.000 1.122 23 M CB -0.984 31.533 32.600 -0.139 0.000 1.365 23 M HN -0.077 nan 8.290 nan 0.000 0.411 24 Y N 0.435 120.789 120.300 0.091 0.000 2.165 24 Y HA -0.186 4.386 4.550 0.036 0.000 0.286 24 Y C 2.745 178.713 175.900 0.114 0.000 1.155 24 Y CA 1.285 59.468 58.100 0.137 0.000 1.164 24 Y CB -1.256 37.333 38.460 0.215 0.000 0.978 24 Y HN 0.327 nan 8.280 nan 0.000 0.513 25 R N 0.052 120.720 120.500 0.280 0.000 2.075 25 R HA -0.105 4.261 4.340 0.044 0.000 0.232 25 R C 2.374 178.722 176.300 0.080 0.000 1.126 25 R CA 1.083 57.283 56.100 0.166 0.000 0.963 25 R CB -0.378 30.012 30.300 0.151 0.000 0.858 25 R HN 0.305 nan 8.270 nan 0.000 0.435 26 A N 1.335 124.231 122.820 0.127 0.000 1.908 26 A HA -0.170 4.176 4.320 0.044 0.000 0.218 26 A C 2.283 179.906 177.584 0.066 0.000 1.181 26 A CA 1.228 53.330 52.037 0.109 0.000 0.627 26 A CB -0.617 18.513 19.000 0.217 0.000 0.818 26 A HN 0.282 nan 8.150 nan 0.000 0.445 27 L N -1.232 120.044 121.223 0.088 0.000 1.989 27 L HA -0.217 4.149 4.340 0.044 0.000 0.211 27 L C 2.912 179.811 176.870 0.048 0.000 1.071 27 L CA 1.728 56.601 54.840 0.054 0.000 0.749 27 L CB -0.503 41.597 42.059 0.067 0.000 0.890 27 L HN 0.371 nan 8.230 nan 0.000 0.431 28 R N -0.373 120.155 120.500 0.048 0.000 2.115 28 R HA -0.135 4.231 4.340 0.044 0.000 0.230 28 R C 1.667 177.954 176.300 -0.023 0.000 1.111 28 R CA 1.235 57.355 56.100 0.032 0.000 0.976 28 R CB -0.183 30.150 30.300 0.055 0.000 0.870 28 R HN 0.420 nan 8.270 nan 0.000 0.445 29 D N -1.129 119.191 120.400 -0.134 0.000 2.216 29 D HA -0.019 4.647 4.640 0.044 0.000 0.208 29 D C 1.266 177.425 176.300 -0.236 0.000 0.960 29 D CA 1.218 55.047 54.000 -0.286 0.000 0.861 29 D CB 0.128 40.569 40.800 -0.599 0.000 0.985 29 D HN 0.425 nan 8.370 nan 0.000 0.493 30 H N -1.555 117.554 119.070 0.065 0.000 2.874 30 H HA 0.223 4.806 4.556 0.045 0.000 0.264 30 H C -0.284 175.093 175.328 0.081 0.000 1.007 30 H CA 0.017 56.102 56.048 0.062 0.000 1.207 30 H CB 1.337 31.130 29.762 0.052 0.000 1.487 30 H HN -0.158 nan 8.280 nan 0.000 0.505 31 D N -0.269 120.236 120.400 0.174 0.000 3.250 31 D HA 0.044 4.710 4.640 0.044 0.000 0.252 31 D C -2.146 174.249 176.300 0.159 0.000 1.342 31 D CA -1.362 52.751 54.000 0.189 0.000 0.807 31 D CB 0.768 41.741 40.800 0.288 0.000 1.449 31 D HN 0.016 nan 8.370 nan 0.000 0.610 32 P HA -0.029 nan 4.420 nan 0.000 0.221 32 P C 0.492 177.860 177.300 0.114 0.000 1.150 32 P CA 0.406 63.563 63.100 0.096 0.000 0.800 32 P CB 0.549 32.293 31.700 0.073 0.000 0.787 33 V N 1.278 121.276 119.914 0.139 0.000 2.192 33 V HA 0.168 4.314 4.120 0.044 0.000 0.264 33 V C -0.003 176.232 176.094 0.235 0.000 1.155 33 V CA -0.719 61.689 62.300 0.180 0.000 1.005 33 V CB -0.938 30.972 31.823 0.145 0.000 1.201 33 V HN 0.106 nan 8.190 nan 0.000 0.468 34 H N 2.533 121.649 119.070 0.077 0.000 2.620 34 H HA 0.311 4.893 4.556 0.043 0.000 0.313 34 H C 0.058 175.285 175.328 -0.168 0.000 1.075 34 H CA -0.130 55.898 56.048 -0.034 0.000 1.397 34 H CB 0.459 30.151 29.762 -0.116 0.000 1.446 34 H HN 0.676 nan 8.280 nan 0.000 0.493 35 H N 5.689 124.232 119.070 -0.878 0.000 2.705 35 H HA 0.281 4.863 4.556 0.042 0.000 0.291 35 H C -0.766 173.956 175.328 -1.009 0.000 1.085 35 H CA -0.917 54.494 56.048 -1.062 0.000 1.357 35 H CB 0.429 29.716 29.762 -0.791 0.000 1.419 35 H HN 0.369 nan 8.280 nan 0.000 0.462 36 V N 7.060 126.412 119.914 -0.937 0.000 2.408 36 V HA 0.054 4.200 4.120 0.044 0.000 0.267 36 V C 0.019 175.666 176.094 -0.745 0.000 1.047 36 V CA -0.471 61.320 62.300 -0.847 0.000 0.937 36 V CB 1.076 32.204 31.823 -1.158 0.000 0.999 36 V HN 0.499 nan 8.190 nan 0.000 0.472 37 V N 7.745 127.325 119.914 -0.557 0.000 2.304 37 V HA 0.310 4.457 4.120 0.044 0.000 0.278 37 V C -2.337 173.660 176.094 -0.163 0.000 1.018 37 V CA -1.842 60.231 62.300 -0.378 0.000 0.814 37 V CB 1.442 33.006 31.823 -0.432 0.000 1.021 37 V HN 0.733 nan 8.190 nan 0.000 0.440 38 P HA 0.161 nan 4.420 nan 0.000 0.265 38 P C -1.966 175.336 177.300 0.003 0.000 1.222 38 P CA -0.926 62.196 63.100 0.037 0.000 0.767 38 P CB 0.532 32.316 31.700 0.140 0.000 0.801 39 P HA -0.263 nan 4.420 nan 0.000 0.216 39 P C 1.770 179.060 177.300 -0.015 0.000 1.157 39 P CA 2.087 65.176 63.100 -0.018 0.000 0.880 39 P CB -0.336 31.355 31.700 -0.015 0.000 0.791 40 Q N -0.833 118.960 119.800 -0.011 0.000 2.297 40 Q HA 0.070 4.436 4.340 0.044 0.000 0.204 40 Q C 1.576 177.556 176.000 -0.034 0.000 0.962 40 Q CA 1.787 57.577 55.803 -0.022 0.000 0.879 40 Q CB -0.995 27.729 28.738 -0.023 0.000 0.947 40 Q HN 0.381 nan 8.270 nan 0.000 0.462 41 R N 0.824 121.312 120.500 -0.020 0.000 2.687 41 R HA 0.421 4.787 4.340 0.044 0.000 0.264 41 R C -2.241 174.083 176.300 0.040 0.000 1.715 41 R CA -0.454 55.625 56.100 -0.034 0.000 1.633 41 R CB 0.028 30.238 30.300 -0.149 0.000 1.353 41 R HN 0.356 nan 8.270 nan 0.000 0.653 42 P HA -0.212 nan 4.420 nan 0.000 0.218 42 P C 0.365 177.702 177.300 0.063 0.000 1.148 42 P CA 1.266 64.378 63.100 0.020 0.000 0.822 42 P CB 0.432 32.127 31.700 -0.008 0.000 0.784 43 E N -0.957 119.291 120.200 0.081 0.000 2.209 43 E HA -0.182 4.194 4.350 0.044 0.000 0.196 43 E C 0.984 177.665 176.600 0.135 0.000 0.993 43 E CA 1.037 57.495 56.400 0.095 0.000 0.819 43 E CB -1.083 28.686 29.700 0.115 0.000 0.745 43 E HN 0.382 nan 8.360 nan 0.000 0.477 44 Y N 1.956 122.247 120.300 -0.015 0.000 2.718 44 Y HA 0.069 4.645 4.550 0.043 0.000 0.322 44 Y C 0.110 176.209 175.900 0.331 0.000 1.122 44 Y CA -1.356 56.799 58.100 0.092 0.000 1.348 44 Y CB -0.761 37.849 38.460 0.250 0.000 1.174 44 Y HN 0.039 nan 8.280 nan 0.000 0.523 45 D N -0.019 120.554 120.400 0.288 0.000 2.378 45 D HA 0.031 4.697 4.640 0.044 0.000 0.238 45 D C -0.158 176.432 176.300 0.482 0.000 1.180 45 D CA 0.367 54.509 54.000 0.237 0.000 0.895 45 D CB 0.985 41.865 40.800 0.133 0.000 1.192 45 D HN 0.348 nan 8.370 nan 0.000 0.438 46 Y N -2.621 117.800 120.300 0.202 0.000 2.764 46 Y HA 0.580 5.158 4.550 0.045 0.000 0.331 46 Y C -1.761 174.152 175.900 0.022 0.000 1.280 46 Y CA -1.462 56.784 58.100 0.244 0.000 1.065 46 Y CB 0.806 39.393 38.460 0.211 0.000 1.319 46 Y HN 0.297 nan 8.280 nan 0.000 0.453 47 Y N 0.072 120.534 120.300 0.270 0.000 2.587 47 Y HA 0.757 5.332 4.550 0.041 0.000 0.337 47 Y C -0.753 175.222 175.900 0.124 0.000 1.065 47 Y CA -1.247 56.911 58.100 0.096 0.000 1.126 47 Y CB 2.440 40.949 38.460 0.082 0.000 1.279 47 Y HN 0.500 nan 8.280 nan 0.000 0.489 48 V N 3.417 123.420 119.914 0.148 0.000 2.623 48 V HA 0.379 4.525 4.120 0.044 0.000 0.304 48 V C -0.917 175.216 176.094 0.065 0.000 1.054 48 V CA -0.928 61.396 62.300 0.041 0.000 0.882 48 V CB 1.756 33.423 31.823 -0.259 0.000 1.002 48 V HN 0.511 nan 8.190 nan 0.000 0.424 49 L N 4.045 125.284 121.223 0.027 0.000 2.298 49 L HA 0.483 4.849 4.340 0.044 0.000 0.284 49 L C 0.932 177.787 176.870 -0.025 0.000 1.013 49 L CA -0.142 54.700 54.840 0.004 0.000 0.824 49 L CB 1.946 43.981 42.059 -0.041 0.000 1.221 49 L HN 0.838 nan 8.230 nan 0.000 0.418 50 S N 1.310 117.010 115.700 0.000 0.000 2.520 50 S HA 0.234 4.731 4.470 0.044 0.000 0.219 50 S C 0.767 175.383 174.600 0.027 0.000 1.028 50 S CA -0.536 57.656 58.200 -0.015 0.000 0.921 50 S CB 0.315 63.525 63.200 0.016 0.000 0.844 50 S HN 0.519 nan 8.310 nan 0.000 0.495 51 R N 1.106 121.633 120.500 0.046 0.000 2.459 51 R HA 0.345 4.711 4.340 0.044 0.000 0.281 51 R C 1.042 177.403 176.300 0.102 0.000 1.050 51 R CA -0.551 55.596 56.100 0.078 0.000 1.055 51 R CB 0.367 30.708 30.300 0.069 0.000 1.045 51 R HN 0.275 nan 8.270 nan 0.000 0.495 52 H N 2.354 121.451 119.070 0.044 0.000 2.290 52 H HA -0.170 4.412 4.556 0.043 0.000 0.298 52 H C 1.530 176.907 175.328 0.081 0.000 1.087 52 H CA 2.566 58.650 56.048 0.059 0.000 1.291 52 H CB 0.302 30.041 29.762 -0.039 0.000 1.369 52 H HN 0.747 nan 8.280 nan 0.000 0.492 53 A N 0.804 123.733 122.820 0.181 0.000 1.933 53 A HA -0.154 4.193 4.320 0.044 0.000 0.218 53 A C 2.148 179.806 177.584 0.123 0.000 1.175 53 A CA 1.702 53.829 52.037 0.151 0.000 0.628 53 A CB -0.228 18.830 19.000 0.097 0.000 0.814 53 A HN 0.478 nan 8.150 nan 0.000 0.444 54 D N -0.184 120.260 120.400 0.074 0.000 2.103 54 D HA -0.077 4.589 4.640 0.044 0.000 0.199 54 D C 2.134 178.419 176.300 -0.025 0.000 0.978 54 D CA 1.424 55.442 54.000 0.029 0.000 0.829 54 D CB -0.599 40.212 40.800 0.019 0.000 0.981 54 D HN 0.213 nan 8.370 nan 0.000 0.464 55 V N 1.154 121.061 119.914 -0.012 0.000 2.287 55 V HA -0.218 3.928 4.120 0.044 0.000 0.248 55 V C 2.227 178.357 176.094 0.061 0.000 1.053 55 V CA 1.435 63.724 62.300 -0.018 0.000 1.027 55 V CB -0.534 31.310 31.823 0.035 0.000 0.646 55 V HN 0.385 nan 8.190 nan 0.000 0.447 56 W N 1.475 122.689 121.300 -0.142 0.000 2.333 56 W HA -0.265 4.416 4.660 0.035 0.000 0.316 56 W C 2.893 179.447 176.519 0.058 0.000 1.215 56 W CA 2.713 60.014 57.345 -0.075 0.000 1.278 56 W CB -0.442 28.904 29.460 -0.191 0.000 1.154 56 W HN 0.498 nan 8.180 nan 0.000 0.486 57 S N 0.745 116.566 115.700 0.202 0.000 2.402 57 S HA -0.114 4.382 4.470 0.044 0.000 0.229 57 S C 2.043 176.630 174.600 -0.021 0.000 1.021 57 S CA 1.503 59.766 58.200 0.104 0.000 0.974 57 S CB -0.783 62.507 63.200 0.150 0.000 0.800 57 S HN 0.229 nan 8.310 nan 0.000 0.484 58 A N 2.142 124.853 122.820 -0.181 0.000 1.898 58 A HA 0.354 4.700 4.320 0.044 0.000 0.216 58 A C 2.591 180.006 177.584 -0.282 0.000 1.181 58 A CA 1.687 53.384 52.037 -0.566 0.000 0.620 58 A CB -1.557 16.744 19.000 -1.164 0.000 0.819 58 A HN 0.914 nan 8.150 nan 0.000 0.442 59 A N -0.044 122.680 122.820 -0.161 0.000 1.908 59 A HA -0.191 4.155 4.320 0.044 0.000 0.218 59 A C 2.196 179.722 177.584 -0.098 0.000 1.181 59 A CA 2.263 54.269 52.037 -0.053 0.000 0.627 59 A CB -0.442 18.578 19.000 0.033 0.000 0.818 59 A HN 0.494 nan 8.150 nan 0.000 0.445 60 R N 0.590 120.973 120.500 -0.195 0.000 2.092 60 R HA -0.090 4.277 4.340 0.044 0.000 0.231 60 R C 0.236 176.483 176.300 -0.089 0.000 1.119 60 R CA 1.466 57.408 56.100 -0.264 0.000 0.970 60 R CB -0.507 29.595 30.300 -0.329 0.000 0.864 60 R HN 0.348 nan 8.270 nan 0.000 0.440 61 D N 0.753 121.143 120.400 -0.016 0.000 2.608 61 D HA -0.033 4.633 4.640 0.044 0.000 0.224 61 D C 0.464 176.783 176.300 0.031 0.000 1.123 61 D CA -0.087 53.908 54.000 -0.008 0.000 1.030 61 D CB -0.238 40.644 40.800 0.137 0.000 1.093 61 D HN 0.529 nan 8.370 nan 0.000 0.497 62 H N 0.070 119.175 119.070 0.059 0.000 2.489 62 H HA -0.050 4.532 4.556 0.042 0.000 0.293 62 H C 1.463 176.814 175.328 0.038 0.000 1.066 62 H CA 0.899 56.984 56.048 0.061 0.000 1.305 62 H CB 0.063 29.835 29.762 0.017 0.000 1.386 62 H HN 0.208 nan 8.280 nan 0.000 0.551 63 Q N 0.311 119.928 119.800 -0.306 0.000 2.079 63 Q HA -0.078 4.288 4.340 0.044 0.000 0.200 63 Q C 1.785 177.718 176.000 -0.112 0.000 0.974 63 Q CA 1.956 57.675 55.803 -0.141 0.000 0.840 63 Q CB -0.064 28.557 28.738 -0.195 0.000 0.898 63 Q HN 0.620 nan 8.270 nan 0.000 0.430 64 T N -0.256 114.202 114.554 -0.160 0.000 3.010 64 T HA 0.059 4.435 4.350 0.044 0.000 0.252 64 T C 0.109 174.529 174.700 -0.467 0.000 1.047 64 T CA 0.380 62.275 62.100 -0.342 0.000 1.140 64 T CB 0.061 68.648 68.868 -0.469 0.000 0.885 64 T HN 0.008 nan 8.240 nan 0.000 0.464 65 F N 2.264 122.192 119.950 -0.037 0.000 2.307 65 F HA 0.512 5.068 4.527 0.048 0.000 0.369 65 F C 0.515 176.312 175.800 -0.004 0.000 1.076 65 F CA -0.987 56.999 58.000 -0.023 0.000 1.149 65 F CB 0.850 39.836 39.000 -0.023 0.000 1.410 65 F HN -0.074 nan 8.300 nan 0.000 0.481 66 S N 0.951 116.710 115.700 0.097 0.000 2.584 66 S HA 0.227 4.724 4.470 0.044 0.000 0.273 66 S C 1.080 175.698 174.600 0.030 0.000 1.311 66 S CA -0.458 57.781 58.200 0.066 0.000 1.034 66 S CB 1.036 64.250 63.200 0.024 0.000 0.939 66 S HN 0.522 nan 8.310 nan 0.000 0.513 67 S N 3.268 118.965 115.700 -0.005 0.000 2.575 67 S HA 0.189 4.685 4.470 0.044 0.000 0.215 67 S C 1.646 176.197 174.600 -0.081 0.000 0.966 67 S CA 0.278 58.419 58.200 -0.097 0.000 0.911 67 S CB 0.062 63.106 63.200 -0.261 0.000 0.780 67 S HN 0.807 nan 8.310 nan 0.000 0.514 68 A N 0.764 123.562 122.820 -0.038 0.000 2.206 68 A HA 0.064 4.411 4.320 0.044 0.000 0.211 68 A C 1.801 179.363 177.584 -0.037 0.000 1.158 68 A CA 0.630 52.647 52.037 -0.034 0.000 0.761 68 A CB -0.014 18.979 19.000 -0.012 0.000 0.801 68 A HN 0.267 nan 8.150 nan 0.000 0.473 69 Q N -0.762 119.012 119.800 -0.043 0.000 2.282 69 Q HA 0.347 4.713 4.340 0.044 0.000 0.206 69 Q C 0.742 176.697 176.000 -0.075 0.000 0.878 69 Q CA 0.762 56.541 55.803 -0.041 0.000 0.944 69 Q CB 0.576 29.294 28.738 -0.034 0.000 1.100 69 Q HN 0.751 nan 8.270 nan 0.000 0.509 70 G N -0.074 108.667 108.800 -0.098 0.000 2.371 70 G HA2 -0.073 3.913 3.960 0.044 0.000 0.663 70 G HA3 -0.073 3.913 3.960 0.044 0.000 0.663 70 G C -0.642 174.156 174.900 -0.170 0.000 1.311 70 G CA -0.747 44.274 45.100 -0.132 0.000 0.985 70 G HN 0.093 nan 8.290 nan 0.000 0.566 71 L N 0.670 121.764 121.223 -0.215 0.000 3.135 71 L HA 0.300 4.666 4.340 0.044 0.000 0.279 71 L C 1.549 178.188 176.870 -0.385 0.000 1.200 71 L CA 0.541 55.229 54.840 -0.253 0.000 1.016 71 L CB 0.581 42.502 42.059 -0.230 0.000 1.391 71 L HN 0.943 nan 8.230 nan 0.000 0.588 72 T N -3.127 111.191 114.554 -0.394 0.000 2.889 72 T HA 0.272 4.648 4.350 0.044 0.000 0.278 72 T C 1.067 175.595 174.700 -0.286 0.000 0.995 72 T CA -0.064 61.758 62.100 -0.462 0.000 0.966 72 T CB 1.769 70.400 68.868 -0.395 0.000 1.237 72 T HN -0.113 nan 8.240 nan 0.000 0.591 73 V N -1.316 118.478 119.914 -0.200 0.000 3.573 73 V HA 0.288 4.435 4.120 0.044 0.000 0.270 73 V C 0.258 176.106 176.094 -0.410 0.000 1.221 73 V CA -0.271 61.753 62.300 -0.460 0.000 1.163 73 V CB -1.354 29.943 31.823 -0.876 0.000 0.847 73 V HN 0.674 nan 8.190 nan 0.000 0.468 74 N N 1.586 120.158 118.700 -0.213 0.000 2.415 74 N HA 0.279 5.046 4.740 0.044 0.000 0.246 74 N C -0.805 174.614 175.510 -0.153 0.000 1.078 74 N CA -0.191 52.841 53.050 -0.030 0.000 0.942 74 N CB 0.607 39.140 38.487 0.077 0.000 1.140 74 N HN 0.463 nan 8.380 nan 0.000 0.501 75 Y N 0.387 120.530 120.300 -0.262 0.000 2.578 75 Y HA 0.108 4.687 4.550 0.049 0.000 0.339 75 Y C 1.907 177.740 175.900 -0.111 0.000 1.231 75 Y CA 1.021 58.899 58.100 -0.370 0.000 1.461 75 Y CB 0.490 38.434 38.460 -0.860 0.000 1.323 75 Y HN 0.775 nan 8.280 nan 0.000 0.590 76 G N 0.971 109.819 108.800 0.079 0.000 2.179 76 G HA2 -0.407 3.579 3.960 0.044 0.000 0.260 76 G HA3 -0.407 3.579 3.960 0.044 0.000 0.260 76 G C 1.179 176.112 174.900 0.056 0.000 0.977 76 G CA 0.674 45.828 45.100 0.090 0.000 0.641 76 G HN 0.749 nan 8.290 nan 0.000 0.533 77 E N -0.279 119.932 120.200 0.018 0.000 2.095 77 E HA -0.242 4.134 4.350 0.044 0.000 0.212 77 E C 2.411 179.009 176.600 -0.003 0.000 1.044 77 E CA 1.908 58.303 56.400 -0.008 0.000 0.857 77 E CB -0.235 29.426 29.700 -0.065 0.000 0.764 77 E HN 0.592 nan 8.360 nan 0.000 0.462 78 L N 0.969 122.190 121.223 -0.003 0.000 2.017 78 L HA -0.178 4.188 4.340 0.044 0.000 0.208 78 L C 2.444 179.333 176.870 0.032 0.000 1.073 78 L CA 2.219 57.064 54.840 0.007 0.000 0.745 78 L CB -0.513 41.558 42.059 0.020 0.000 0.894 78 L HN 0.192 nan 8.230 nan 0.000 0.432 79 E N -0.993 119.233 120.200 0.043 0.000 2.047 79 E HA -0.210 4.167 4.350 0.044 0.000 0.191 79 E C 2.124 178.741 176.600 0.029 0.000 0.987 79 E CA 1.484 57.909 56.400 0.041 0.000 0.799 79 E CB -0.181 29.539 29.700 0.033 0.000 0.752 79 E HN 0.255 nan 8.360 nan 0.000 0.449 80 M N 0.387 120.006 119.600 0.033 0.000 2.149 80 M HA -0.121 4.385 4.480 0.044 0.000 0.261 80 M C 2.386 178.696 176.300 0.017 0.000 1.064 80 M CA 1.350 56.669 55.300 0.031 0.000 1.102 80 M CB -0.969 31.660 32.600 0.048 0.000 1.369 80 M HN 0.399 nan 8.290 nan 0.000 0.408 81 I N -3.504 117.071 120.570 0.008 0.000 3.603 81 I HA 0.330 4.526 4.170 0.044 0.000 0.297 81 I C 0.922 177.031 176.117 -0.013 0.000 1.269 81 I CA 0.820 62.116 61.300 -0.007 0.000 1.361 81 I CB -0.227 37.764 38.000 -0.017 0.000 1.063 81 I HN 0.419 nan 8.210 nan 0.000 0.448 82 G N 2.527 111.327 108.800 0.000 0.000 2.207 82 G HA2 -0.185 3.801 3.960 0.044 0.000 0.216 82 G HA3 -0.185 3.801 3.960 0.044 0.000 0.216 82 G C -0.092 174.810 174.900 0.004 0.000 1.053 82 G CA 0.070 45.172 45.100 0.004 0.000 0.764 82 G HN 0.299 nan 8.290 nan 0.000 0.495 83 L N 0.079 121.310 121.223 0.013 0.000 2.959 83 L HA 0.400 4.766 4.340 0.044 0.000 0.259 83 L C 1.849 178.721 176.870 0.004 0.000 1.185 83 L CA 0.656 55.491 54.840 -0.008 0.000 0.998 83 L CB -0.396 41.644 42.059 -0.032 0.000 1.337 83 L HN 0.530 nan 8.230 nan 0.000 0.555 84 H N -0.347 118.707 119.070 -0.026 0.000 2.293 84 H HA -0.152 4.431 4.556 0.044 0.000 0.300 84 H C 1.394 176.709 175.328 -0.021 0.000 1.082 84 H CA 2.492 58.527 56.048 -0.021 0.000 1.308 84 H CB 0.451 30.205 29.762 -0.014 0.000 1.375 84 H HN 0.254 nan 8.280 nan 0.000 0.495 85 D N -0.659 119.758 120.400 0.029 0.000 2.183 85 D HA -0.019 4.648 4.640 0.044 0.000 0.203 85 D C 0.258 176.507 176.300 -0.084 0.000 0.969 85 D CA 1.392 55.402 54.000 0.018 0.000 0.842 85 D CB 0.095 40.956 40.800 0.102 0.000 0.957 85 D HN 0.307 nan 8.370 nan 0.000 0.484 86 T N 2.385 116.894 114.554 -0.075 0.000 3.296 86 T HA 0.253 4.629 4.350 0.044 0.000 0.333 86 T C -2.650 171.995 174.700 -0.093 0.000 1.280 86 T CA -1.172 60.880 62.100 -0.080 0.000 1.558 86 T CB 2.245 71.089 68.868 -0.040 0.000 0.929 86 T HN -0.039 nan 8.240 nan 0.000 0.596 87 P HA 0.396 nan 4.420 nan 0.000 0.276 87 P C -2.676 174.557 177.300 -0.112 0.000 1.244 87 P CA -1.640 61.397 63.100 -0.105 0.000 0.801 87 P CB 0.068 31.700 31.700 -0.114 0.000 1.006 88 P HA 0.080 nan 4.420 nan 0.000 0.272 88 P C 1.251 178.514 177.300 -0.061 0.000 1.240 88 P CA -0.177 62.887 63.100 -0.060 0.000 0.791 88 P CB 0.419 32.114 31.700 -0.009 0.000 0.978 89 M N 1.094 120.668 119.600 -0.043 0.000 2.279 89 M HA -0.110 4.396 4.480 0.044 0.000 0.264 89 M C 1.257 177.707 176.300 0.250 0.000 1.062 89 M CA 2.117 57.456 55.300 0.066 0.000 1.099 89 M CB -1.371 31.300 32.600 0.118 0.000 1.394 89 M HN 0.051 nan 8.290 nan 0.000 0.426 90 V N -1.729 118.267 119.914 0.136 0.000 3.078 90 V HA -0.024 4.123 4.120 0.044 0.000 0.265 90 V C 1.591 177.586 176.094 -0.165 0.000 1.122 90 V CA 1.161 63.460 62.300 -0.001 0.000 1.141 90 V CB -1.089 30.711 31.823 -0.038 0.000 0.735 90 V HN 0.641 nan 8.190 nan 0.000 0.498 91 M N 0.137 119.701 119.600 -0.060 0.000 2.673 91 M HA 0.398 4.904 4.480 0.044 0.000 0.334 91 M C -0.061 176.219 176.300 -0.033 0.000 1.211 91 M CA 0.257 55.506 55.300 -0.085 0.000 0.962 91 M CB 0.594 33.144 32.600 -0.084 0.000 1.343 91 M HN 0.381 nan 8.290 nan 0.000 0.511 92 Q N 0.319 120.153 119.800 0.057 0.000 2.342 92 Q HA 0.376 4.742 4.340 0.044 0.000 0.267 92 Q C -1.107 174.965 176.000 0.120 0.000 1.038 92 Q CA -0.801 55.052 55.803 0.083 0.000 0.832 92 Q CB 2.428 31.236 28.738 0.118 0.000 1.323 92 Q HN 0.092 nan 8.270 nan 0.000 0.448 93 D N 1.755 122.194 120.400 0.065 0.000 2.326 93 D HA 0.390 5.056 4.640 0.044 0.000 0.251 93 D C -2.415 173.888 176.300 0.004 0.000 1.023 93 D CA -1.785 52.230 54.000 0.026 0.000 0.966 93 D CB 1.070 41.902 40.800 0.055 0.000 1.156 93 D HN 0.159 nan 8.370 nan 0.000 0.494 94 P HA 0.152 nan 4.420 nan 0.000 0.271 94 P C -1.712 175.586 177.300 -0.003 0.000 1.218 94 P CA -0.894 62.160 63.100 -0.077 0.000 0.780 94 P CB 0.296 31.841 31.700 -0.259 0.000 0.901 95 P HA -0.012 nan 4.420 nan 0.000 0.230 95 P C 1.206 178.516 177.300 0.017 0.000 1.168 95 P CA 0.518 63.624 63.100 0.009 0.000 0.793 95 P CB 0.126 31.833 31.700 0.013 0.000 0.851 96 V N 0.932 120.862 119.914 0.027 0.000 2.287 96 V HA -0.271 3.875 4.120 0.044 0.000 0.248 96 V C 2.728 178.852 176.094 0.049 0.000 1.053 96 V CA 2.451 64.769 62.300 0.029 0.000 1.027 96 V CB -1.734 30.100 31.823 0.017 0.000 0.646 96 V HN 0.253 nan 8.190 nan 0.000 0.447 97 H N 0.313 119.358 119.070 -0.042 0.000 2.456 97 H HA -0.139 4.441 4.556 0.040 0.000 0.296 97 H C 2.182 177.492 175.328 -0.030 0.000 1.079 97 H CA 2.024 58.047 56.048 -0.042 0.000 1.322 97 H CB -0.181 29.517 29.762 -0.107 0.000 1.388 97 H HN 0.418 nan 8.280 nan 0.000 0.538 98 T N -0.040 114.469 114.554 -0.075 0.000 2.708 98 T HA -0.185 4.191 4.350 0.044 0.000 0.266 98 T C 1.808 176.433 174.700 -0.125 0.000 1.037 98 T CA 1.622 63.651 62.100 -0.117 0.000 1.146 98 T CB -0.223 68.618 68.868 -0.045 0.000 0.865 98 T HN 0.384 nan 8.240 nan 0.000 0.435 99 E N 0.620 120.784 120.200 -0.059 0.000 2.072 99 E HA -0.030 4.346 4.350 0.044 0.000 0.191 99 E C 1.775 178.338 176.600 -0.062 0.000 0.985 99 E CA 0.888 57.259 56.400 -0.048 0.000 0.801 99 E CB -0.560 29.132 29.700 -0.012 0.000 0.750 99 E HN 0.482 nan 8.360 nan 0.000 0.452 100 F N 1.117 120.964 119.950 -0.173 0.000 2.075 100 F HA -0.124 4.426 4.527 0.039 0.000 0.297 100 F C 2.544 178.197 175.800 -0.245 0.000 1.113 100 F CA 2.149 60.038 58.000 -0.184 0.000 1.218 100 F CB -0.248 38.655 39.000 -0.161 0.000 0.984 100 F HN -0.026 nan 8.300 nan 0.000 0.472 101 R N 0.819 121.233 120.500 -0.143 0.000 2.103 101 R HA -0.246 4.120 4.340 0.044 0.000 0.242 101 R C 2.452 178.621 176.300 -0.218 0.000 1.142 101 R CA 2.065 58.014 56.100 -0.252 0.000 0.960 101 R CB -0.465 29.538 30.300 -0.496 0.000 0.858 101 R HN 0.321 nan 8.270 nan 0.000 0.439 102 K N 0.450 120.734 120.400 -0.194 0.000 2.063 102 K HA -0.167 4.179 4.320 0.044 0.000 0.208 102 K C 2.000 178.489 176.600 -0.186 0.000 1.048 102 K CA 1.738 57.932 56.287 -0.155 0.000 0.928 102 K CB -0.110 32.319 32.500 -0.118 0.000 0.713 102 K HN 0.266 nan 8.250 nan 0.000 0.442 103 L N 0.234 121.307 121.223 -0.251 0.000 2.044 103 L HA -0.111 4.255 4.340 0.044 0.000 0.205 103 L C 2.490 179.167 176.870 -0.323 0.000 1.075 103 L CA 0.600 55.272 54.840 -0.280 0.000 0.747 103 L CB -0.506 41.354 42.059 -0.331 0.000 0.903 103 L HN 0.035 nan 8.230 nan 0.000 0.435 104 V N 0.174 119.821 119.914 -0.445 0.000 2.626 104 V HA -0.220 3.927 4.120 0.044 0.000 0.252 104 V C 2.709 178.793 176.094 -0.018 0.000 1.067 104 V CA 1.881 63.965 62.300 -0.360 0.000 1.081 104 V CB -0.079 31.353 31.823 -0.652 0.000 0.686 104 V HN 0.668 nan 8.190 nan 0.000 0.468 105 S N -0.052 115.624 115.700 -0.040 0.000 2.469 105 S HA -0.201 4.295 4.470 0.044 0.000 0.238 105 S C 1.913 176.538 174.600 0.043 0.000 0.998 105 S CA 1.118 59.375 58.200 0.095 0.000 0.957 105 S CB -0.617 62.569 63.200 -0.023 0.000 0.764 105 S HN 0.680 nan 8.310 nan 0.000 0.514 106 R N 0.770 121.160 120.500 -0.184 0.000 2.193 106 R HA 0.033 4.399 4.340 0.044 0.000 0.229 106 R C 2.203 178.275 176.300 -0.380 0.000 1.110 106 R CA 1.014 56.850 56.100 -0.440 0.000 0.988 106 R CB -0.620 29.098 30.300 -0.970 0.000 0.871 106 R HN 0.584 nan 8.270 nan 0.000 0.458 107 G N -0.570 108.125 108.800 -0.176 0.000 3.141 107 G HA2 -0.002 3.984 3.960 0.044 0.000 0.218 107 G HA3 -0.002 3.984 3.960 0.044 0.000 0.218 107 G C -0.041 174.675 174.900 -0.306 0.000 1.170 107 G CA -0.221 44.771 45.100 -0.180 0.000 0.769 107 G HN 0.097 nan 8.290 nan 0.000 0.546 108 F N 1.968 121.975 119.950 0.095 0.000 2.449 108 F HA 0.358 4.914 4.527 0.048 0.000 0.344 108 F C 0.584 176.445 175.800 0.102 0.000 1.180 108 F CA -0.850 57.263 58.000 0.189 0.000 1.209 108 F CB 1.073 40.141 39.000 0.113 0.000 1.440 108 F HN -0.000 nan 8.300 nan 0.000 0.526 109 T N -2.482 112.184 114.554 0.187 0.000 2.910 109 T HA 0.465 4.842 4.350 0.044 0.000 0.287 109 T C -2.160 172.610 174.700 0.117 0.000 1.050 109 T CA -2.345 59.825 62.100 0.117 0.000 1.011 109 T CB 2.168 71.066 68.868 0.049 0.000 1.195 109 T HN -0.111 nan 8.240 nan 0.000 0.540 110 P HA -0.048 nan 4.420 nan 0.000 0.216 110 P C 2.038 179.377 177.300 0.065 0.000 1.153 110 P CA 2.031 65.177 63.100 0.077 0.000 0.858 110 P CB -0.230 31.503 31.700 0.055 0.000 0.789 111 R N 0.054 120.580 120.500 0.045 0.000 2.105 111 R HA -0.205 4.161 4.340 0.044 0.000 0.239 111 R C 2.178 178.497 176.300 0.031 0.000 1.135 111 R CA 2.008 58.127 56.100 0.031 0.000 0.967 111 R CB -2.184 28.127 30.300 0.019 0.000 0.861 111 R HN 0.308 nan 8.270 nan 0.000 0.442 112 Q N -0.353 119.456 119.800 0.015 0.000 2.172 112 Q HA 0.047 4.413 4.340 0.044 0.000 0.200 112 Q C 2.224 178.250 176.000 0.043 0.000 0.964 112 Q CA 1.403 57.183 55.803 -0.039 0.000 0.855 112 Q CB -0.270 28.285 28.738 -0.306 0.000 0.918 112 Q HN 0.398 nan 8.270 nan 0.000 0.444 113 V N 0.360 120.350 119.914 0.127 0.000 2.453 113 V HA -0.227 3.919 4.120 0.044 0.000 0.247 113 V C 1.528 177.657 176.094 0.059 0.000 1.048 113 V CA 1.649 64.051 62.300 0.170 0.000 1.049 113 V CB -0.047 31.909 31.823 0.222 0.000 0.672 113 V HN 0.366 nan 8.190 nan 0.000 0.457 114 E N 0.178 120.406 120.200 0.047 0.000 2.077 114 E HA -0.199 4.178 4.350 0.044 0.000 0.193 114 E C 2.149 178.744 176.600 -0.008 0.000 0.989 114 E CA 1.903 58.317 56.400 0.023 0.000 0.800 114 E CB -0.326 29.391 29.700 0.029 0.000 0.746 114 E HN 0.825 nan 8.360 nan 0.000 0.452 115 T N -1.275 113.272 114.554 -0.012 0.000 2.962 115 T HA -0.051 4.325 4.350 0.044 0.000 0.270 115 T C 1.855 176.473 174.700 -0.137 0.000 1.088 115 T CA 0.677 62.761 62.100 -0.027 0.000 1.127 115 T CB 0.129 69.030 68.868 0.056 0.000 0.883 115 T HN 0.040 nan 8.240 nan 0.000 0.493 116 V N 0.666 120.399 119.914 -0.301 0.000 3.590 116 V HA 0.185 4.331 4.120 0.044 0.000 0.265 116 V C 2.379 178.394 176.094 -0.132 0.000 1.239 116 V CA 0.866 62.931 62.300 -0.390 0.000 1.117 116 V CB -0.012 31.301 31.823 -0.850 0.000 0.818 116 V HN 0.577 nan 8.190 nan 0.000 0.451 117 E N 0.935 121.094 120.200 -0.069 0.000 2.085 117 E HA -0.207 4.169 4.350 0.044 0.000 0.194 117 E C -0.499 176.109 176.600 0.012 0.000 0.994 117 E CA 1.857 58.252 56.400 -0.009 0.000 0.801 117 E CB -0.612 29.095 29.700 0.012 0.000 0.743 117 E HN 0.520 nan 8.360 nan 0.000 0.453 118 P HA -0.070 nan 4.420 nan 0.000 0.218 118 P C 1.065 178.392 177.300 0.045 0.000 1.149 118 P CA 1.396 64.511 63.100 0.025 0.000 0.817 118 P CB 0.023 31.731 31.700 0.014 0.000 0.785 119 T N -0.894 113.686 114.554 0.044 0.000 2.777 119 T HA -0.085 4.291 4.350 0.044 0.000 0.266 119 T C 1.832 176.608 174.700 0.128 0.000 1.040 119 T CA 1.103 63.259 62.100 0.093 0.000 1.141 119 T CB -0.939 68.005 68.868 0.126 0.000 0.868 119 T HN -0.126 nan 8.240 nan 0.000 0.444 120 V N 1.468 121.435 119.914 0.087 0.000 2.287 120 V HA -0.200 3.946 4.120 0.044 0.000 0.248 120 V C 2.617 178.801 176.094 0.149 0.000 1.053 120 V CA 1.845 64.210 62.300 0.108 0.000 1.027 120 V CB -0.567 31.292 31.823 0.060 0.000 0.646 120 V HN 0.355 nan 8.190 nan 0.000 0.447 121 R N 0.093 120.655 120.500 0.103 0.000 2.081 121 R HA -0.212 4.154 4.340 0.044 0.000 0.235 121 R C 2.435 178.794 176.300 0.097 0.000 1.131 121 R CA 2.008 58.162 56.100 0.090 0.000 0.960 121 R CB -0.234 30.103 30.300 0.060 0.000 0.856 121 R HN 0.516 nan 8.270 nan 0.000 0.436 122 K N -0.480 119.986 120.400 0.109 0.000 2.057 122 K HA -0.193 4.153 4.320 0.044 0.000 0.207 122 K C 1.885 178.562 176.600 0.128 0.000 1.049 122 K CA 1.584 57.931 56.287 0.100 0.000 0.931 122 K CB -0.267 32.294 32.500 0.103 0.000 0.714 122 K HN 0.139 nan 8.250 nan 0.000 0.440 123 F N 0.986 120.958 119.950 0.038 0.000 2.113 123 F HA -0.162 4.390 4.527 0.043 0.000 0.297 123 F C 1.790 177.603 175.800 0.021 0.000 1.103 123 F CA 1.118 59.139 58.000 0.036 0.000 1.248 123 F CB -0.278 38.756 39.000 0.057 0.000 0.999 123 F HN -0.198 nan 8.300 nan 0.000 0.475 124 V N -0.224 119.759 119.914 0.116 0.000 2.287 124 V HA -0.332 3.814 4.120 0.044 0.000 0.248 124 V C 2.427 178.472 176.094 -0.082 0.000 1.053 124 V CA 1.830 64.135 62.300 0.008 0.000 1.027 124 V CB -0.950 30.929 31.823 0.093 0.000 0.646 124 V HN 0.275 nan 8.190 nan 0.000 0.447 125 V N -0.284 119.610 119.914 -0.032 0.000 2.287 125 V HA -0.321 3.825 4.120 0.044 0.000 0.248 125 V C 2.426 178.470 176.094 -0.082 0.000 1.053 125 V CA 2.336 64.614 62.300 -0.037 0.000 1.027 125 V CB -0.661 31.160 31.823 -0.003 0.000 0.646 125 V HN 0.621 nan 8.190 nan 0.000 0.447 126 E N -0.475 119.653 120.200 -0.121 0.000 2.051 126 E HA -0.199 4.177 4.350 0.044 0.000 0.192 126 E C 2.526 179.000 176.600 -0.209 0.000 0.991 126 E CA 1.065 57.375 56.400 -0.149 0.000 0.799 126 E CB -0.126 29.478 29.700 -0.161 0.000 0.748 126 E HN 0.394 nan 8.360 nan 0.000 0.449 127 R N 0.314 120.609 120.500 -0.342 0.000 2.115 127 R HA -0.005 4.361 4.340 0.044 0.000 0.226 127 R C 2.406 178.577 176.300 -0.216 0.000 1.100 127 R CA 0.610 56.504 56.100 -0.343 0.000 0.980 127 R CB -0.577 29.403 30.300 -0.532 0.000 0.875 127 R HN 0.263 nan 8.270 nan 0.000 0.445 128 L N 0.929 122.048 121.223 -0.174 0.000 2.093 128 L HA -0.114 4.252 4.340 0.044 0.000 0.208 128 L C 2.210 179.058 176.870 -0.037 0.000 1.085 128 L CA 1.091 55.874 54.840 -0.095 0.000 0.755 128 L CB -0.247 41.775 42.059 -0.063 0.000 0.904 128 L HN 0.076 nan 8.230 nan 0.000 0.435 129 E N 0.440 120.609 120.200 -0.052 0.000 2.152 129 E HA -0.177 4.199 4.350 0.044 0.000 0.192 129 E C 2.410 178.991 176.600 -0.033 0.000 0.983 129 E CA 1.438 57.821 56.400 -0.029 0.000 0.818 129 E CB -0.076 29.605 29.700 -0.032 0.000 0.758 129 E HN 0.477 nan 8.360 nan 0.000 0.467 130 K N 1.207 121.571 120.400 -0.060 0.000 2.025 130 K HA -0.036 4.310 4.320 0.044 0.000 0.207 130 K C 2.325 178.906 176.600 -0.032 0.000 1.049 130 K CA 1.085 57.339 56.287 -0.055 0.000 0.933 130 K CB -1.064 31.385 32.500 -0.086 0.000 0.714 130 K HN 0.057 nan 8.250 nan 0.000 0.438 131 L N 0.232 121.441 121.223 -0.023 0.000 2.012 131 L HA -0.223 4.143 4.340 0.044 0.000 0.210 131 L C 3.416 180.312 176.870 0.043 0.000 1.073 131 L CA 1.987 56.849 54.840 0.036 0.000 0.748 131 L CB -0.743 41.386 42.059 0.115 0.000 0.891 131 L HN 0.585 nan 8.230 nan 0.000 0.431 132 R N 0.201 120.727 120.500 0.044 0.000 2.096 132 R HA -0.152 4.214 4.340 0.044 0.000 0.240 132 R C 2.285 178.585 176.300 -0.001 0.000 1.139 132 R CA 1.886 58.000 56.100 0.024 0.000 0.952 132 R CB -1.811 28.506 30.300 0.028 0.000 0.854 132 R HN 0.527 nan 8.270 nan 0.000 0.436 133 A N 1.385 124.202 122.820 -0.005 0.000 1.902 133 A HA -0.139 4.207 4.320 0.044 0.000 0.217 133 A C 1.826 179.402 177.584 -0.014 0.000 1.181 133 A CA 1.418 53.449 52.037 -0.011 0.000 0.623 133 A CB -0.219 18.772 19.000 -0.014 0.000 0.818 133 A HN 0.597 nan 8.150 nan 0.000 0.443 134 N N -0.513 118.179 118.700 -0.014 0.000 2.461 134 N HA 0.110 4.876 4.740 0.044 0.000 0.188 134 N C 1.134 176.631 175.510 -0.021 0.000 1.134 134 N CA 1.002 54.042 53.050 -0.016 0.000 0.878 134 N CB 0.064 38.542 38.487 -0.014 0.000 0.972 134 N HN 0.659 nan 8.380 nan 0.000 0.456 135 G N -0.212 108.571 108.800 -0.027 0.000 2.153 135 G HA2 -0.134 3.853 3.960 0.044 0.000 0.252 135 G HA3 -0.134 3.853 3.960 0.044 0.000 0.252 135 G C 0.536 175.390 174.900 -0.077 0.000 0.994 135 G CA 0.785 45.856 45.100 -0.049 0.000 0.698 135 G HN 0.825 nan 8.290 nan 0.000 0.521 136 G N -2.547 106.228 108.800 -0.043 0.000 2.298 136 G HA2 0.629 4.616 3.960 0.044 0.000 0.309 136 G HA3 0.629 4.616 3.960 0.044 0.000 0.309 136 G C 0.565 175.493 174.900 0.046 0.000 1.279 136 G CA 0.896 45.981 45.100 -0.024 0.000 1.042 136 G HN 2.572 nan 8.290 nan 0.000 0.480 137 G N -1.272 107.579 108.800 0.085 0.000 2.350 137 G HA2 0.488 4.474 3.960 0.044 0.000 0.276 137 G HA3 0.488 4.474 3.960 0.044 0.000 0.276 137 G C -1.968 172.966 174.900 0.056 0.000 1.313 137 G CA 0.548 45.675 45.100 0.045 0.000 0.903 137 G HN 1.225 nan 8.290 nan 0.000 0.490 138 D N 0.421 120.810 120.400 -0.018 0.000 2.396 138 D HA 0.339 5.006 4.640 0.044 0.000 0.225 138 D C 1.350 177.540 176.300 -0.183 0.000 1.121 138 D CA -0.502 53.459 54.000 -0.065 0.000 0.853 138 D CB 1.261 42.023 40.800 -0.065 0.000 1.043 138 D HN 0.388 nan 8.370 nan 0.000 0.500 139 I N 3.673 124.053 120.570 -0.316 0.000 2.830 139 I HA -0.176 4.020 4.170 0.044 0.000 0.263 139 I C 1.417 177.109 176.117 -0.708 0.000 1.230 139 I CA 0.522 61.391 61.300 -0.719 0.000 1.480 139 I CB 0.502 37.740 38.000 -1.269 0.000 1.095 139 I HN 0.226 nan 8.210 nan 0.000 0.455 140 V N 0.930 120.639 119.914 -0.342 0.000 2.302 140 V HA -0.244 3.902 4.120 0.044 0.000 0.243 140 V C 2.599 178.629 176.094 -0.106 0.000 1.036 140 V CA 2.348 64.568 62.300 -0.133 0.000 1.020 140 V CB -1.042 30.752 31.823 -0.048 0.000 0.657 140 V HN 0.579 nan 8.190 nan 0.000 0.453 141 T N -1.275 113.216 114.554 -0.105 0.000 2.759 141 T HA -0.192 4.184 4.350 0.044 0.000 0.269 141 T C 1.556 176.215 174.700 -0.068 0.000 1.042 141 T CA 1.426 63.487 62.100 -0.065 0.000 1.140 141 T CB -0.281 68.555 68.868 -0.052 0.000 0.864 141 T HN 0.445 nan 8.240 nan 0.000 0.455 142 E N 0.069 120.190 120.200 -0.133 0.000 2.442 142 E HA 0.268 4.644 4.350 0.044 0.000 0.195 142 E C 1.457 177.964 176.600 -0.156 0.000 1.030 142 E CA 0.314 56.632 56.400 -0.136 0.000 0.869 142 E CB 0.465 30.065 29.700 -0.167 0.000 0.857 142 E HN 0.453 nan 8.360 nan 0.000 0.505 143 L N -2.273 118.848 121.223 -0.169 0.000 2.186 143 L HA 0.132 4.498 4.340 0.044 0.000 0.182 143 L C 1.161 178.128 176.870 0.162 0.000 1.190 143 L CA 0.419 55.209 54.840 -0.082 0.000 1.051 143 L CB -0.388 41.468 42.059 -0.338 0.000 2.162 143 L HN -0.204 nan 8.230 nan 0.000 0.494 144 F N 1.507 121.434 119.950 -0.037 0.000 2.325 144 F HA 0.075 4.638 4.527 0.060 0.000 0.299 144 F C 2.428 178.215 175.800 -0.022 0.000 1.090 144 F CA 1.367 59.343 58.000 -0.040 0.000 1.392 144 F CB -0.779 38.163 39.000 -0.097 0.000 1.053 144 F HN 0.233 nan 8.300 nan 0.000 0.521 145 K N 1.096 121.589 120.400 0.156 0.000 1.984 145 K HA -0.095 4.251 4.320 0.044 0.000 0.209 145 K C -0.671 175.965 176.600 0.060 0.000 1.046 145 K CA 1.386 57.719 56.287 0.076 0.000 0.934 145 K CB -1.214 31.307 32.500 0.035 0.000 0.717 145 K HN 0.057 nan 8.250 nan 0.000 0.438 146 P HA -0.142 nan 4.420 nan 0.000 0.219 146 P C 1.631 178.881 177.300 -0.083 0.000 1.150 146 P CA 0.798 63.921 63.100 0.038 0.000 0.814 146 P CB -0.045 31.757 31.700 0.171 0.000 0.787 147 L N 2.047 123.297 121.223 0.047 0.000 1.971 147 L HA -0.093 4.273 4.340 0.044 0.000 0.215 147 L C -0.832 175.959 176.870 -0.132 0.000 1.072 147 L CA 3.020 57.819 54.840 -0.069 0.000 0.758 147 L CB -2.522 39.666 42.059 0.215 0.000 0.889 147 L HN -0.002 nan 8.230 nan 0.000 0.433 148 P HA -0.157 nan 4.420 nan 0.000 0.219 148 P C 1.953 179.194 177.300 -0.098 0.000 1.146 148 P CA 1.731 64.795 63.100 -0.060 0.000 0.808 148 P CB -0.208 31.474 31.700 -0.031 0.000 0.779 149 S N -1.013 114.611 115.700 -0.127 0.000 2.399 149 S HA -0.121 4.375 4.470 0.044 0.000 0.231 149 S C 1.826 176.300 174.600 -0.209 0.000 1.022 149 S CA 1.214 59.347 58.200 -0.112 0.000 0.983 149 S CB -0.808 62.312 63.200 -0.134 0.000 0.803 149 S HN 0.033 nan 8.310 nan 0.000 0.480 150 M N 0.231 119.590 119.600 -0.401 0.000 2.175 150 M HA -0.023 4.483 4.480 0.044 0.000 0.264 150 M C 2.050 177.926 176.300 -0.708 0.000 1.063 150 M CA 1.042 55.850 55.300 -0.819 0.000 1.119 150 M CB -0.458 31.748 32.600 -0.656 0.000 1.377 150 M HN 0.159 nan 8.290 nan 0.000 0.415 151 V N -0.173 119.563 119.914 -0.297 0.000 2.307 151 V HA -0.170 3.976 4.120 0.044 0.000 0.245 151 V C 2.427 178.580 176.094 0.097 0.000 1.045 151 V CA 1.409 63.682 62.300 -0.046 0.000 1.024 151 V CB -0.567 31.284 31.823 0.046 0.000 0.651 151 V HN 0.265 nan 8.190 nan 0.000 0.449 152 V N 0.575 120.499 119.914 0.017 0.000 2.332 152 V HA -0.304 3.842 4.120 0.044 0.000 0.248 152 V C 2.751 178.832 176.094 -0.022 0.000 1.055 152 V CA 2.124 64.466 62.300 0.069 0.000 1.038 152 V CB -1.242 30.632 31.823 0.085 0.000 0.651 152 V HN 0.562 nan 8.190 nan 0.000 0.450 153 A N -0.758 121.899 122.820 -0.271 0.000 1.883 153 A HA -0.322 4.024 4.320 0.044 0.000 0.217 153 A C 2.249 179.661 177.584 -0.286 0.000 1.186 153 A CA 2.171 53.802 52.037 -0.677 0.000 0.624 153 A CB -0.994 17.231 19.000 -1.292 0.000 0.822 153 A HN 0.736 nan 8.150 nan 0.000 0.444 154 H N -2.002 116.884 119.070 -0.306 0.000 2.289 154 H HA -0.226 4.354 4.556 0.040 0.000 0.296 154 H C 1.899 177.155 175.328 -0.119 0.000 1.091 154 H CA 2.462 58.463 56.048 -0.078 0.000 1.274 154 H CB -0.255 29.444 29.762 -0.105 0.000 1.364 154 H HN 0.586 nan 8.280 nan 0.000 0.490 155 Y N 0.470 120.676 120.300 -0.158 0.000 2.497 155 Y HA -0.063 4.526 4.550 0.065 0.000 0.292 155 Y C 2.515 178.322 175.900 -0.156 0.000 1.137 155 Y CA 0.562 58.514 58.100 -0.248 0.000 1.285 155 Y CB 0.114 38.476 38.460 -0.163 0.000 0.991 155 Y HN 0.171 nan 8.280 nan 0.000 0.556 156 L N -1.152 120.098 121.223 0.044 0.000 2.592 156 L HA 0.201 4.567 4.340 0.044 0.000 0.227 156 L C 1.541 178.488 176.870 0.129 0.000 1.127 156 L CA 0.468 55.380 54.840 0.120 0.000 0.884 156 L CB -0.472 41.656 42.059 0.115 0.000 1.065 156 L HN 0.328 nan 8.230 nan 0.000 0.457 157 G N 0.987 109.786 108.800 -0.002 0.000 2.283 157 G HA2 -0.259 3.728 3.960 0.044 0.000 0.280 157 G HA3 -0.259 3.728 3.960 0.044 0.000 0.280 157 G C 0.208 175.154 174.900 0.077 0.000 1.029 157 G CA 0.175 45.277 45.100 0.004 0.000 0.840 157 G HN 0.149 nan 8.290 nan 0.000 0.505 158 V N 1.322 121.299 119.914 0.105 0.000 2.508 158 V HA 0.277 4.423 4.120 0.044 0.000 0.281 158 V C -1.164 175.083 176.094 0.256 0.000 1.041 158 V CA -1.238 61.147 62.300 0.142 0.000 1.016 158 V CB 1.073 32.851 31.823 -0.074 0.000 0.984 158 V HN 0.193 nan 8.190 nan 0.000 0.478 159 P HA 0.050 nan 4.420 nan 0.000 0.265 159 P C 0.881 178.025 177.300 -0.259 0.000 1.193 159 P CA 0.129 63.211 63.100 -0.030 0.000 0.765 159 P CB 0.596 32.282 31.700 -0.023 0.000 0.823 160 E N 2.157 121.967 120.200 -0.650 0.000 2.171 160 E HA -0.259 4.117 4.350 0.044 0.000 0.197 160 E C 1.510 177.628 176.600 -0.804 0.000 0.997 160 E CA 1.226 56.746 56.400 -1.466 0.000 0.810 160 E CB 0.133 29.119 29.700 -1.191 0.000 0.738 160 E HN 0.643 nan 8.360 nan 0.000 0.467 161 E N 0.279 120.245 120.200 -0.390 0.000 2.265 161 E HA -0.186 4.191 4.350 0.044 0.000 0.196 161 E C 0.810 177.340 176.600 -0.116 0.000 0.996 161 E CA 1.030 57.308 56.400 -0.203 0.000 0.832 161 E CB 0.019 29.645 29.700 -0.125 0.000 0.756 161 E HN 0.138 nan 8.360 nan 0.000 0.491 162 D N -0.482 119.870 120.400 -0.080 0.000 2.340 162 D HA -0.007 4.659 4.640 0.044 0.000 0.217 162 D C 0.690 177.010 176.300 0.034 0.000 1.081 162 D CA -0.004 53.976 54.000 -0.034 0.000 0.842 162 D CB -0.119 40.679 40.800 -0.004 0.000 0.934 162 D HN 0.308 nan 8.370 nan 0.000 0.511 163 W N 1.358 122.569 121.300 -0.149 0.000 2.388 163 W HA -0.047 4.647 4.660 0.056 0.000 0.294 163 W C 2.154 178.596 176.519 -0.129 0.000 1.212 163 W CA 0.639 57.919 57.345 -0.108 0.000 1.271 163 W CB -1.160 28.249 29.460 -0.084 0.000 1.126 163 W HN -0.056 nan 8.180 nan 0.000 0.535 164 T N -0.205 114.391 114.554 0.070 0.000 2.777 164 T HA -0.250 4.126 4.350 0.044 0.000 0.266 164 T C 1.754 176.330 174.700 -0.207 0.000 1.040 164 T CA 1.793 63.870 62.100 -0.038 0.000 1.141 164 T CB -0.249 68.603 68.868 -0.026 0.000 0.868 164 T HN 0.181 nan 8.240 nan 0.000 0.444 165 Q N -0.238 119.372 119.800 -0.316 0.000 2.061 165 Q HA -0.138 4.228 4.340 0.044 0.000 0.204 165 Q C 2.053 177.262 176.000 -1.318 0.000 0.984 165 Q CA 1.591 56.989 55.803 -0.674 0.000 0.846 165 Q CB -0.309 28.081 28.738 -0.580 0.000 0.902 165 Q HN 0.541 nan 8.270 nan 0.000 0.421 166 F N 1.376 120.628 119.950 -1.163 0.000 2.126 166 F HA -0.223 4.326 4.527 0.038 0.000 0.299 166 F C 1.764 177.279 175.800 -0.475 0.000 1.096 166 F CA 2.131 59.578 58.000 -0.923 0.000 1.255 166 F CB -0.357 38.357 39.000 -0.477 0.000 0.997 166 F HN 0.225 nan 8.300 nan 0.000 0.479 167 D N -0.328 119.862 120.400 -0.349 0.000 2.144 167 D HA -0.093 4.573 4.640 0.044 0.000 0.200 167 D C 2.485 178.610 176.300 -0.292 0.000 0.978 167 D CA 1.480 55.294 54.000 -0.310 0.000 0.833 167 D CB -0.746 39.962 40.800 -0.153 0.000 0.961 167 D HN 0.341 nan 8.370 nan 0.000 0.470 168 G N 0.077 108.688 108.800 -0.314 0.000 2.446 168 G HA2 -0.270 3.716 3.960 0.044 0.000 0.217 168 G HA3 -0.270 3.716 3.960 0.044 0.000 0.217 168 G C 1.269 176.132 174.900 -0.062 0.000 1.168 168 G CA 0.947 45.936 45.100 -0.185 0.000 0.771 168 G HN 0.276 nan 8.290 nan 0.000 0.551 169 W N 1.193 122.390 121.300 -0.172 0.000 2.335 169 W HA -0.034 4.650 4.660 0.039 0.000 0.311 169 W C 2.750 179.122 176.519 -0.246 0.000 1.213 169 W CA 1.381 58.619 57.345 -0.179 0.000 1.274 169 W CB -1.685 27.660 29.460 -0.191 0.000 1.148 169 W HN 0.141 nan 8.180 nan 0.000 0.498 170 T N 1.108 115.532 114.554 -0.216 0.000 2.635 170 T HA -0.241 4.136 4.350 0.044 0.000 0.267 170 T C 1.829 176.451 174.700 -0.129 0.000 1.040 170 T CA 2.141 64.067 62.100 -0.290 0.000 1.156 170 T CB -0.376 68.202 68.868 -0.483 0.000 0.863 170 T HN 0.040 nan 8.240 nan 0.000 0.430 171 Q N 0.690 120.428 119.800 -0.103 0.000 2.124 171 Q HA 0.030 4.396 4.340 0.044 0.000 0.202 171 Q C 2.631 178.627 176.000 -0.007 0.000 0.977 171 Q CA 1.532 57.306 55.803 -0.048 0.000 0.850 171 Q CB -0.814 27.900 28.738 -0.040 0.000 0.901 171 Q HN 0.610 nan 8.270 nan 0.000 0.429 172 A N 0.666 123.496 122.820 0.017 0.000 1.898 172 A HA -0.109 4.237 4.320 0.044 0.000 0.216 172 A C 2.213 179.825 177.584 0.046 0.000 1.181 172 A CA 0.965 53.028 52.037 0.043 0.000 0.620 172 A CB -0.601 18.443 19.000 0.073 0.000 0.819 172 A HN 0.296 nan 8.150 nan 0.000 0.442 173 I N -0.414 120.186 120.570 0.049 0.000 2.179 173 I HA -0.220 3.976 4.170 0.044 0.000 0.242 173 I C 2.347 178.494 176.117 0.050 0.000 1.088 173 I CA 1.182 62.525 61.300 0.070 0.000 1.357 173 I CB -0.319 37.734 38.000 0.089 0.000 1.051 173 I HN 0.147 nan 8.210 nan 0.000 0.409 174 V N 0.973 120.898 119.914 0.018 0.000 2.343 174 V HA -0.300 3.846 4.120 0.044 0.000 0.247 174 V C 2.660 178.775 176.094 0.033 0.000 1.051 174 V CA 2.024 64.335 62.300 0.018 0.000 1.036 174 V CB -0.981 30.838 31.823 -0.007 0.000 0.654 174 V HN 0.503 nan 8.190 nan 0.000 0.451 175 A N -0.101 122.738 122.820 0.031 0.000 1.898 175 A HA -0.050 4.296 4.320 0.044 0.000 0.216 175 A C 2.434 180.047 177.584 0.047 0.000 1.181 175 A CA 1.881 53.941 52.037 0.038 0.000 0.620 175 A CB -0.777 18.242 19.000 0.031 0.000 0.819 175 A HN 0.551 nan 8.150 nan 0.000 0.442 176 A N -0.194 122.655 122.820 0.047 0.000 1.902 176 A HA -0.106 4.240 4.320 0.044 0.000 0.217 176 A C 1.996 179.612 177.584 0.054 0.000 1.181 176 A CA 2.159 54.226 52.037 0.049 0.000 0.623 176 A CB -1.559 17.470 19.000 0.048 0.000 0.818 176 A HN 0.905 nan 8.150 nan 0.000 0.443 177 N N 0.021 118.757 118.700 0.059 0.000 2.515 177 N HA 0.479 5.245 4.740 0.044 0.000 0.191 177 N C 0.900 176.457 175.510 0.078 0.000 1.182 177 N CA 1.067 54.155 53.050 0.064 0.000 0.879 177 N CB -0.708 37.818 38.487 0.065 0.000 0.984 177 N HN 0.914 nan 8.380 nan 0.000 0.453 186 A N 0.404 123.244 122.820 0.034 0.000 2.676 186 A HA 0.631 4.978 4.320 0.044 0.000 0.258 186 A C 1.229 178.837 177.584 0.040 0.000 0.898 186 A CA -0.093 51.972 52.037 0.047 0.000 1.087 186 A CB -0.064 18.978 19.000 0.070 0.000 1.214 186 A HN 0.155 nan 8.150 nan 0.000 0.474 187 L N -0.086 121.151 121.223 0.023 0.000 2.042 187 L HA -0.140 4.226 4.340 0.044 0.000 0.210 187 L C 1.907 178.779 176.870 0.004 0.000 1.076 187 L CA 2.144 56.989 54.840 0.009 0.000 0.749 187 L CB -0.355 41.707 42.059 0.004 0.000 0.893 187 L HN 0.421 nan 8.230 nan 0.000 0.432 188 D N -0.771 119.634 120.400 0.009 0.000 2.117 188 D HA -0.130 4.536 4.640 0.044 0.000 0.197 188 D C 2.212 178.483 176.300 -0.048 0.000 0.987 188 D CA 1.470 55.466 54.000 -0.006 0.000 0.829 188 D CB -0.078 40.735 40.800 0.022 0.000 0.961 188 D HN 0.331 nan 8.370 nan 0.000 0.460 189 A N 0.527 123.345 122.820 -0.003 0.000 1.930 189 A HA -0.111 4.235 4.320 0.044 0.000 0.217 189 A C 2.531 180.084 177.584 -0.052 0.000 1.175 189 A CA 1.068 53.089 52.037 -0.026 0.000 0.627 189 A CB -0.678 18.383 19.000 0.101 0.000 0.815 189 A HN 0.135 nan 8.150 nan 0.000 0.443 190 V N -0.043 119.913 119.914 0.070 0.000 2.295 190 V HA -0.196 3.950 4.120 0.044 0.000 0.246 190 V C 2.832 178.981 176.094 0.093 0.000 1.049 190 V CA 2.064 64.480 62.300 0.193 0.000 1.024 190 V CB -1.459 30.405 31.823 0.070 0.000 0.648 190 V HN 0.601 nan 8.190 nan 0.000 0.447 191 G N -0.736 108.053 108.800 -0.019 0.000 2.418 191 G HA2 -0.229 3.757 3.960 0.044 0.000 0.217 191 G HA3 -0.229 3.757 3.960 0.044 0.000 0.217 191 G C 1.842 176.661 174.900 -0.135 0.000 1.158 191 G CA 1.165 46.238 45.100 -0.046 0.000 0.771 191 G HN 0.511 nan 8.290 nan 0.000 0.545 192 S N 0.083 115.581 115.700 -0.337 0.000 2.356 192 S HA -0.124 4.372 4.470 0.044 0.000 0.223 192 S C 2.261 176.414 174.600 -0.745 0.000 1.032 192 S CA 1.545 59.338 58.200 -0.679 0.000 1.005 192 S CB -0.283 62.095 63.200 -1.370 0.000 0.867 192 S HN 0.397 nan 8.310 nan 0.000 0.449 193 M N 0.565 119.810 119.600 -0.591 0.000 2.117 193 M HA -0.089 4.417 4.480 0.044 0.000 0.262 193 M C 1.967 178.455 176.300 0.314 0.000 1.065 193 M CA 1.266 56.525 55.300 -0.069 0.000 1.114 193 M CB -0.168 32.468 32.600 0.060 0.000 1.361 193 M HN 0.216 nan 8.290 nan 0.000 0.408 194 M N -0.037 119.719 119.600 0.260 0.000 2.065 194 M HA -0.172 4.334 4.480 0.044 0.000 0.259 194 M C 2.448 178.867 176.300 0.198 0.000 1.071 194 M CA 2.161 57.627 55.300 0.277 0.000 1.109 194 M CB -1.739 30.962 32.600 0.168 0.000 1.313 194 M HN 0.438 nan 8.290 nan 0.000 0.408 195 A N -1.086 121.788 122.820 0.089 0.000 1.883 195 A HA -0.244 4.102 4.320 0.044 0.000 0.217 195 A C 2.184 179.822 177.584 0.091 0.000 1.186 195 A CA 1.804 53.879 52.037 0.063 0.000 0.624 195 A CB -1.275 17.733 19.000 0.014 0.000 0.822 195 A HN 0.552 nan 8.150 nan 0.000 0.444 196 Y N -0.996 119.291 120.300 -0.023 0.000 2.114 196 Y HA -0.192 4.384 4.550 0.044 0.000 0.284 196 Y C 1.984 177.835 175.900 -0.082 0.000 1.143 196 Y CA 2.106 60.188 58.100 -0.031 0.000 1.135 196 Y CB -0.385 38.092 38.460 0.028 0.000 0.980 196 Y HN 0.261 nan 8.280 nan 0.000 0.499 197 F N -0.175 119.930 119.950 0.257 0.000 2.234 197 F HA -0.160 4.396 4.527 0.048 0.000 0.299 197 F C 2.425 178.266 175.800 0.068 0.000 1.087 197 F CA 1.755 59.859 58.000 0.174 0.000 1.340 197 F CB -0.906 38.247 39.000 0.255 0.000 1.031 197 F HN -0.039 nan 8.300 nan 0.000 0.500 198 T N -0.652 114.024 114.554 0.204 0.000 2.720 198 T HA -0.178 4.199 4.350 0.044 0.000 0.268 198 T C 2.378 177.093 174.700 0.026 0.000 1.037 198 T CA 1.498 63.667 62.100 0.116 0.000 1.144 198 T CB -1.003 67.922 68.868 0.095 0.000 0.864 198 T HN 0.444 nan 8.240 nan 0.000 0.444 199 G N 1.170 109.936 108.800 -0.056 0.000 2.402 199 G HA2 -0.123 3.864 3.960 0.044 0.000 0.216 199 G HA3 -0.123 3.864 3.960 0.044 0.000 0.216 199 G C 1.514 176.311 174.900 -0.172 0.000 1.162 199 G CA 0.687 45.710 45.100 -0.128 0.000 0.777 199 G HN 0.425 nan 8.290 nan 0.000 0.539 200 L N 0.685 121.746 121.223 -0.270 0.000 2.093 200 L HA 0.164 4.530 4.340 0.044 0.000 0.208 200 L C 2.627 179.467 176.870 -0.051 0.000 1.085 200 L CA 1.165 55.862 54.840 -0.237 0.000 0.755 200 L CB -0.361 41.471 42.059 -0.377 0.000 0.904 200 L HN 0.251 nan 8.230 nan 0.000 0.435 201 I N -0.309 120.283 120.570 0.038 0.000 2.163 201 I HA -0.331 3.866 4.170 0.044 0.000 0.243 201 I C 2.540 178.670 176.117 0.023 0.000 1.085 201 I CA 1.782 63.125 61.300 0.072 0.000 1.347 201 I CB -0.360 37.713 38.000 0.121 0.000 1.044 201 I HN 0.433 nan 8.210 nan 0.000 0.408 202 E N 1.158 121.359 120.200 0.003 0.000 2.058 202 E HA -0.301 4.075 4.350 0.044 0.000 0.194 202 E C 2.409 178.994 176.600 -0.025 0.000 0.997 202 E CA 1.341 57.735 56.400 -0.010 0.000 0.801 202 E CB -0.080 29.610 29.700 -0.017 0.000 0.746 202 E HN 0.284 nan 8.360 nan 0.000 0.450 203 R N 0.027 120.500 120.500 -0.045 0.000 2.105 203 R HA -0.114 4.252 4.340 0.044 0.000 0.239 203 R C 2.077 178.351 176.300 -0.042 0.000 1.135 203 R CA 1.198 57.267 56.100 -0.052 0.000 0.967 203 R CB 0.005 30.258 30.300 -0.079 0.000 0.861 203 R HN 0.045 nan 8.270 nan 0.000 0.442 204 R N 0.609 121.089 120.500 -0.033 0.000 2.285 204 R HA -0.036 4.330 4.340 0.044 0.000 0.213 204 R C 2.035 178.313 176.300 -0.037 0.000 1.068 204 R CA 0.740 56.819 56.100 -0.034 0.000 1.004 204 R CB -0.386 29.901 30.300 -0.020 0.000 0.873 204 R HN 0.370 nan 8.270 nan 0.000 0.467 205 R N -0.203 120.281 120.500 -0.027 0.000 2.081 205 R HA -0.090 4.276 4.340 0.044 0.000 0.235 205 R C 1.805 178.086 176.300 -0.033 0.000 1.131 205 R CA 2.060 58.144 56.100 -0.027 0.000 0.960 205 R CB -0.226 30.064 30.300 -0.017 0.000 0.856 205 R HN 0.329 nan 8.270 nan 0.000 0.436 206 T N -2.588 111.946 114.554 -0.033 0.000 2.990 206 T HA 0.121 4.497 4.350 0.044 0.000 0.250 206 T C 0.415 175.092 174.700 -0.040 0.000 1.041 206 T CA -0.155 61.925 62.100 -0.034 0.000 1.010 206 T CB 0.400 69.250 68.868 -0.028 0.000 1.003 206 T HN 0.181 nan 8.240 nan 0.000 0.499 207 E N 3.068 123.241 120.200 -0.044 0.000 3.303 207 E HA 0.292 4.668 4.350 0.044 0.000 0.215 207 E C -2.838 173.726 176.600 -0.059 0.000 1.181 207 E CA -2.096 54.274 56.400 -0.049 0.000 0.998 207 E CB 1.046 30.719 29.700 -0.046 0.000 1.312 207 E HN 0.390 nan 8.360 nan 0.000 0.412 208 P HA 0.168 nan 4.420 nan 0.000 0.275 208 P C -0.543 176.694 177.300 -0.106 0.000 1.228 208 P CA 0.023 63.063 63.100 -0.100 0.000 0.786 208 P CB 1.614 33.240 31.700 -0.122 0.000 0.927 209 A N 2.090 124.837 122.820 -0.121 0.000 2.858 209 A HA 0.488 4.834 4.320 0.044 0.000 0.232 209 A C 0.489 177.976 177.584 -0.162 0.000 1.258 209 A CA -0.288 51.680 52.037 -0.116 0.000 0.909 209 A CB 0.089 19.035 19.000 -0.089 0.000 1.491 209 A HN 0.401 nan 8.150 nan 0.000 0.472 210 D N 0.568 120.896 120.400 -0.120 0.000 2.340 210 D HA 0.082 4.749 4.640 0.044 0.000 0.217 210 D C -0.228 176.068 176.300 -0.007 0.000 1.081 210 D CA 0.129 54.088 54.000 -0.069 0.000 0.842 210 D CB 0.044 40.823 40.800 -0.035 0.000 0.934 210 D HN 0.636 nan 8.370 nan 0.000 0.511 211 D N -0.496 119.856 120.400 -0.079 0.000 2.451 211 D HA 0.220 4.886 4.640 0.044 0.000 0.259 211 D C 1.107 177.424 176.300 0.028 0.000 1.201 211 D CA -0.564 53.380 54.000 -0.095 0.000 1.028 211 D CB 1.514 42.228 40.800 -0.143 0.000 1.095 211 D HN -0.126 nan 8.370 nan 0.000 0.539 212 A N 0.376 123.194 122.820 -0.003 0.000 1.898 212 A HA -0.086 4.260 4.320 0.044 0.000 0.216 212 A C 2.396 180.004 177.584 0.041 0.000 1.181 212 A CA 0.854 52.909 52.037 0.031 0.000 0.620 212 A CB -0.740 18.340 19.000 0.132 0.000 0.819 212 A HN 0.642 nan 8.150 nan 0.000 0.442 213 I N -0.222 120.426 120.570 0.129 0.000 2.142 213 I HA -0.239 3.957 4.170 0.044 0.000 0.240 213 I C 2.691 178.830 176.117 0.036 0.000 1.078 213 I CA 1.575 62.951 61.300 0.126 0.000 1.343 213 I CB -0.548 37.582 38.000 0.217 0.000 1.046 213 I HN 0.243 nan 8.210 nan 0.000 0.405 214 S N -0.361 115.336 115.700 -0.004 0.000 2.374 214 S HA -0.236 4.260 4.470 0.044 0.000 0.227 214 S C 1.959 176.470 174.600 -0.148 0.000 1.037 214 S CA 1.249 59.393 58.200 -0.092 0.000 1.024 214 S CB -0.541 62.565 63.200 -0.156 0.000 0.861 214 S HN 0.438 nan 8.310 nan 0.000 0.456 215 H N 0.863 119.882 119.070 -0.084 0.000 2.353 215 H HA 0.048 4.630 4.556 0.044 0.000 0.300 215 H C 2.181 177.426 175.328 -0.139 0.000 1.090 215 H CA 1.150 57.132 56.048 -0.110 0.000 1.327 215 H CB -0.410 29.277 29.762 -0.125 0.000 1.383 215 H HN 0.307 nan 8.280 nan 0.000 0.508 216 L N -0.180 121.006 121.223 -0.061 0.000 2.017 216 L HA -0.167 4.199 4.340 0.044 0.000 0.208 216 L C 2.720 179.551 176.870 -0.066 0.000 1.073 216 L CA 0.798 55.556 54.840 -0.136 0.000 0.745 216 L CB -0.371 41.575 42.059 -0.188 0.000 0.894 216 L HN 0.045 nan 8.230 nan 0.000 0.432 217 V N -0.197 119.695 119.914 -0.037 0.000 2.358 217 V HA -0.251 3.895 4.120 0.044 0.000 0.246 217 V C 2.723 178.794 176.094 -0.039 0.000 1.047 217 V CA 1.683 63.970 62.300 -0.023 0.000 1.035 217 V CB -0.887 30.930 31.823 -0.010 0.000 0.658 217 V HN 0.474 nan 8.190 nan 0.000 0.452 218 A N 0.157 122.937 122.820 -0.066 0.000 1.940 218 A HA -0.119 4.227 4.320 0.044 0.000 0.219 218 A C 2.228 179.787 177.584 -0.041 0.000 1.176 218 A CA 2.004 53.998 52.037 -0.071 0.000 0.631 218 A CB -0.652 18.268 19.000 -0.132 0.000 0.814 218 A HN 0.612 nan 8.150 nan 0.000 0.446 219 A N -2.112 120.689 122.820 -0.033 0.000 2.238 219 A HA 0.413 4.759 4.320 0.044 0.000 0.208 219 A C 1.711 179.278 177.584 -0.028 0.000 1.177 219 A CA 1.225 53.245 52.037 -0.027 0.000 0.804 219 A CB -0.856 18.121 19.000 -0.038 0.000 0.823 219 A HN 1.894 nan 8.150 nan 0.000 0.482 220 G N -1.893 106.892 108.800 -0.025 0.000 2.179 220 G HA2 -0.182 3.804 3.960 0.044 0.000 0.220 220 G HA3 -0.182 3.804 3.960 0.044 0.000 0.220 220 G C 0.138 175.038 174.900 -0.001 0.000 0.990 220 G CA -0.066 45.027 45.100 -0.012 0.000 0.646 220 G HN 0.740 nan 8.290 nan 0.000 0.517 221 V N 0.856 120.768 119.914 -0.003 0.000 2.521 221 V HA 0.495 4.641 4.120 0.044 0.000 0.286 221 V C 1.816 177.934 176.094 0.042 0.000 1.034 221 V CA 1.487 63.802 62.300 0.025 0.000 1.045 221 V CB 0.644 32.481 31.823 0.024 0.000 0.974 221 V HN 1.930 nan 8.190 nan 0.000 0.480 222 G N 3.691 112.521 108.800 0.051 0.000 2.217 222 G HA2 -0.108 3.878 3.960 0.044 0.000 0.246 222 G HA3 -0.108 3.878 3.960 0.044 0.000 0.246 222 G C 0.585 175.507 174.900 0.037 0.000 0.990 222 G CA 0.080 45.212 45.100 0.054 0.000 0.627 222 G HN 1.718 nan 8.290 nan 0.000 0.522 223 A N -0.013 122.823 122.820 0.026 0.000 2.632 223 A HA 0.428 4.774 4.320 0.044 0.000 0.231 223 A C 1.477 179.072 177.584 0.019 0.000 1.027 223 A CA 2.617 54.664 52.037 0.018 0.000 0.759 223 A CB -0.929 18.078 19.000 0.012 0.000 0.939 223 A HN 2.561 nan 8.150 nan 0.000 0.505 224 D N 0.273 120.683 120.400 0.015 0.000 2.760 224 D HA 0.363 5.029 4.640 0.044 0.000 0.244 224 D C 1.860 178.170 176.300 0.017 0.000 1.096 224 D CA 1.437 55.446 54.000 0.014 0.000 0.716 224 D CB -1.912 38.895 40.800 0.013 0.000 1.075 224 D HN 2.768 nan 8.370 nan 0.000 0.434 225 G N -1.256 107.555 108.800 0.019 0.000 2.441 225 G HA2 0.430 4.416 3.960 0.044 0.000 0.298 225 G HA3 0.430 4.416 3.960 0.044 0.000 0.298 225 G C 0.430 175.344 174.900 0.024 0.000 0.949 225 G CA 1.725 46.837 45.100 0.021 0.000 1.072 225 G HN 2.578 nan 8.290 nan 0.000 0.512 226 D N -1.990 118.427 120.400 0.028 0.000 2.926 226 D HA 0.624 5.290 4.640 0.044 0.000 0.234 226 D C 0.580 176.901 176.300 0.036 0.000 1.434 226 D CA 0.752 54.770 54.000 0.029 0.000 0.951 226 D CB -0.738 40.076 40.800 0.023 0.000 1.500 226 D HN 1.041 nan 8.370 nan 0.000 0.558 227 T N -1.859 112.722 114.554 0.045 0.000 5.349 227 T HA -0.007 4.369 4.350 0.044 0.000 0.267 227 T C 2.060 176.789 174.700 0.049 0.000 2.217 227 T CA 1.019 63.147 62.100 0.046 0.000 3.803 227 T CB -1.381 67.509 68.868 0.036 0.000 0.252 227 T HN 1.602 nan 8.240 nan 0.000 0.536 228 A N 0.976 123.823 122.820 0.044 0.000 1.898 228 A HA 0.505 4.851 4.320 0.044 0.000 0.214 228 A C 2.385 180.005 177.584 0.061 0.000 1.183 228 A CA 2.170 54.232 52.037 0.042 0.000 0.622 228 A CB -1.152 17.867 19.000 0.032 0.000 0.824 228 A HN 0.726 nan 8.150 nan 0.000 0.444 229 G N -0.681 108.162 108.800 0.070 0.000 2.469 229 G HA2 -0.207 3.779 3.960 0.044 0.000 0.219 229 G HA3 -0.207 3.779 3.960 0.044 0.000 0.219 229 G C 1.558 176.529 174.900 0.118 0.000 1.150 229 G CA 1.769 46.928 45.100 0.099 0.000 0.763 229 G HN 0.422 nan 8.290 nan 0.000 0.561 230 T N 0.777 115.389 114.554 0.097 0.000 2.812 230 T HA -0.061 4.315 4.350 0.044 0.000 0.264 230 T C 2.222 176.999 174.700 0.128 0.000 1.042 230 T CA 1.044 63.211 62.100 0.112 0.000 1.140 230 T CB -0.200 68.722 68.868 0.090 0.000 0.870 230 T HN 0.125 nan 8.240 nan 0.000 0.445 231 L N 2.058 123.340 121.223 0.097 0.000 2.083 231 L HA -0.056 4.310 4.340 0.044 0.000 0.209 231 L C 2.610 179.541 176.870 0.101 0.000 1.083 231 L CA 2.069 56.961 54.840 0.086 0.000 0.752 231 L CB -1.054 41.032 42.059 0.046 0.000 0.899 231 L HN 0.340 nan 8.230 nan 0.000 0.433 232 S N -0.604 115.157 115.700 0.102 0.000 2.383 232 S HA -0.214 4.282 4.470 0.044 0.000 0.229 232 S C 2.065 176.826 174.600 0.268 0.000 1.030 232 S CA 1.672 59.935 58.200 0.104 0.000 1.002 232 S CB -0.957 62.297 63.200 0.090 0.000 0.829 232 S HN 0.530 nan 8.310 nan 0.000 0.467 233 I N 1.182 121.939 120.570 0.311 0.000 2.315 233 I HA -0.102 4.094 4.170 0.044 0.000 0.248 233 I C 2.468 178.790 176.117 0.341 0.000 1.117 233 I CA 1.054 62.579 61.300 0.375 0.000 1.404 233 I CB -0.478 37.683 38.000 0.269 0.000 1.071 233 I HN 0.291 nan 8.210 nan 0.000 0.419 234 L N 0.758 122.136 121.223 0.258 0.000 2.093 234 L HA -0.170 4.196 4.340 0.044 0.000 0.208 234 L C 2.907 179.956 176.870 0.299 0.000 1.085 234 L CA 1.236 56.232 54.840 0.260 0.000 0.755 234 L CB -0.670 41.535 42.059 0.243 0.000 0.904 234 L HN 0.230 nan 8.230 nan 0.000 0.435 235 A N -0.059 122.895 122.820 0.223 0.000 1.933 235 A HA -0.279 4.067 4.320 0.044 0.000 0.218 235 A C 2.164 179.883 177.584 0.226 0.000 1.175 235 A CA 1.605 53.747 52.037 0.175 0.000 0.628 235 A CB -0.814 18.223 19.000 0.062 0.000 0.814 235 A HN 0.434 nan 8.150 nan 0.000 0.444 236 F N 1.456 121.488 119.950 0.137 0.000 2.171 236 F HA -0.128 4.427 4.527 0.046 0.000 0.300 236 F C 2.348 178.209 175.800 0.102 0.000 1.090 236 F CA 2.185 60.289 58.000 0.173 0.000 1.293 236 F CB -0.759 38.456 39.000 0.358 0.000 1.013 236 F HN 0.193 nan 8.300 nan 0.000 0.486 237 T N 0.627 115.095 114.554 -0.143 0.000 2.720 237 T HA -0.217 4.160 4.350 0.044 0.000 0.268 237 T C 1.769 176.221 174.700 -0.414 0.000 1.037 237 T CA 1.966 63.793 62.100 -0.454 0.000 1.144 237 T CB -0.703 67.781 68.868 -0.640 0.000 0.864 237 T HN 0.237 nan 8.240 nan 0.000 0.444 238 F N 1.501 121.347 119.950 -0.173 0.000 2.186 238 F HA -0.067 4.484 4.527 0.040 0.000 0.299 238 F C 2.822 178.551 175.800 -0.119 0.000 1.090 238 F CA 0.918 58.850 58.000 -0.113 0.000 1.307 238 F CB -1.028 37.936 39.000 -0.061 0.000 1.019 238 F HN 0.084 nan 8.300 nan 0.000 0.489 239 T N 0.283 114.843 114.554 0.011 0.000 2.684 239 T HA -0.225 4.151 4.350 0.044 0.000 0.267 239 T C 2.150 176.771 174.700 -0.131 0.000 1.036 239 T CA 1.404 63.483 62.100 -0.036 0.000 1.148 239 T CB -0.205 68.666 68.868 0.006 0.000 0.863 239 T HN 0.069 nan 8.240 nan 0.000 0.436 240 M N 0.666 120.081 119.600 -0.309 0.000 2.080 240 M HA -0.068 4.438 4.480 0.044 0.000 0.260 240 M C 2.499 178.710 176.300 -0.149 0.000 1.068 240 M CA 1.287 56.421 55.300 -0.276 0.000 1.109 240 M CB -1.284 31.046 32.600 -0.451 0.000 1.342 240 M HN 0.151 nan 8.290 nan 0.000 0.405 241 V N 0.437 120.249 119.914 -0.170 0.000 2.323 241 V HA -0.211 3.935 4.120 0.044 0.000 0.244 241 V C 2.607 178.653 176.094 -0.079 0.000 1.041 241 V CA 2.241 64.458 62.300 -0.139 0.000 1.025 241 V CB -1.223 30.437 31.823 -0.272 0.000 0.656 241 V HN 0.617 nan 8.190 nan 0.000 0.451 242 T N -2.061 112.471 114.554 -0.036 0.000 2.995 242 T HA 0.005 4.381 4.350 0.044 0.000 0.269 242 T C 1.627 176.330 174.700 0.004 0.000 1.091 242 T CA 1.353 63.460 62.100 0.011 0.000 1.128 242 T CB -0.103 68.800 68.868 0.059 0.000 0.891 242 T HN 0.483 nan 8.240 nan 0.000 0.492 243 G N -0.017 108.775 108.800 -0.013 0.000 2.850 243 G HA2 0.425 4.411 3.960 0.044 0.000 0.211 243 G HA3 0.425 4.411 3.960 0.044 0.000 0.211 243 G C 1.349 176.244 174.900 -0.009 0.000 1.124 243 G CA 0.207 45.305 45.100 -0.004 0.000 0.769 243 G HN 0.577 nan 8.290 nan 0.000 0.535 244 G N -0.127 108.656 108.800 -0.028 0.000 3.020 244 G HA2 0.092 4.079 3.960 0.044 0.000 0.217 244 G HA3 0.092 4.079 3.960 0.044 0.000 0.217 244 G C 1.157 176.042 174.900 -0.024 0.000 1.144 244 G CA 0.086 45.168 45.100 -0.030 0.000 0.760 244 G HN 0.245 nan 8.290 nan 0.000 0.548 245 N N 1.138 119.824 118.700 -0.023 0.000 2.652 245 N HA -0.033 4.734 4.740 0.044 0.000 0.226 245 N C 1.716 177.217 175.510 -0.015 0.000 1.023 245 N CA 1.047 54.081 53.050 -0.026 0.000 1.126 245 N CB -0.101 38.360 38.487 -0.042 0.000 1.476 245 N HN 0.220 nan 8.380 nan 0.000 0.537 246 D N 1.410 121.805 120.400 -0.007 0.000 2.182 246 D HA -0.153 4.513 4.640 0.044 0.000 0.201 246 D C 1.707 178.004 176.300 -0.006 0.000 0.986 246 D CA 1.863 55.863 54.000 -0.001 0.000 0.847 246 D CB -1.012 39.796 40.800 0.014 0.000 0.942 246 D HN 0.366 nan 8.370 nan 0.000 0.467 247 T N -0.893 113.661 114.554 0.000 0.000 2.674 247 T HA -0.138 4.238 4.350 0.044 0.000 0.265 247 T C 2.284 176.975 174.700 -0.015 0.000 1.039 247 T CA 1.626 63.726 62.100 0.001 0.000 1.150 247 T CB -1.038 67.845 68.868 0.025 0.000 0.864 247 T HN 0.081 nan 8.240 nan 0.000 0.427 248 V N 2.171 122.077 119.914 -0.013 0.000 2.332 248 V HA -0.205 3.941 4.120 0.044 0.000 0.248 248 V C 3.072 179.114 176.094 -0.088 0.000 1.055 248 V CA 2.394 64.671 62.300 -0.038 0.000 1.038 248 V CB -1.458 30.349 31.823 -0.026 0.000 0.651 248 V HN 0.610 nan 8.190 nan 0.000 0.450 249 T N 0.270 114.790 114.554 -0.056 0.000 2.788 249 T HA -0.118 4.258 4.350 0.044 0.000 0.268 249 T C 1.887 176.535 174.700 -0.086 0.000 1.044 249 T CA 1.501 63.567 62.100 -0.056 0.000 1.139 249 T CB -0.592 68.276 68.868 0.001 0.000 0.867 249 T HN 0.639 nan 8.240 nan 0.000 0.454 250 G N 1.037 109.804 108.800 -0.056 0.000 2.402 250 G HA2 -0.175 3.811 3.960 0.044 0.000 0.216 250 G HA3 -0.175 3.811 3.960 0.044 0.000 0.216 250 G C 1.533 176.406 174.900 -0.046 0.000 1.162 250 G CA 0.735 45.820 45.100 -0.025 0.000 0.777 250 G HN 0.420 nan 8.290 nan 0.000 0.539 251 M N -0.079 119.469 119.600 -0.086 0.000 2.065 251 M HA -0.027 4.479 4.480 0.044 0.000 0.259 251 M C 2.527 178.704 176.300 -0.206 0.000 1.069 251 M CA 1.502 56.735 55.300 -0.112 0.000 1.110 251 M CB -0.233 32.308 32.600 -0.100 0.000 1.328 251 M HN 0.227 nan 8.290 nan 0.000 0.405 252 L N -0.652 120.340 121.223 -0.386 0.000 2.005 252 L HA -0.102 4.264 4.340 0.044 0.000 0.207 252 L C 2.703 179.154 176.870 -0.698 0.000 1.072 252 L CA 1.466 55.806 54.840 -0.833 0.000 0.744 252 L CB -1.397 39.729 42.059 -1.555 0.000 0.895 252 L HN 0.489 nan 8.230 nan 0.000 0.433 253 G N -0.479 108.094 108.800 -0.379 0.000 2.402 253 G HA2 -0.167 3.819 3.960 0.044 0.000 0.216 253 G HA3 -0.167 3.819 3.960 0.044 0.000 0.216 253 G C 1.595 176.495 174.900 -0.000 0.000 1.162 253 G CA 0.655 45.746 45.100 -0.016 0.000 0.777 253 G HN 0.488 nan 8.290 nan 0.000 0.539 254 G N 0.407 109.227 108.800 0.032 0.000 2.448 254 G HA2 -0.105 3.881 3.960 0.044 0.000 0.219 254 G HA3 -0.105 3.881 3.960 0.044 0.000 0.219 254 G C 1.992 176.974 174.900 0.136 0.000 1.127 254 G CA 1.317 46.531 45.100 0.189 0.000 0.766 254 G HN 0.418 nan 8.290 nan 0.000 0.552 255 S N 0.152 115.875 115.700 0.039 0.000 2.453 255 S HA 0.018 4.514 4.470 0.044 0.000 0.231 255 S C 2.416 177.087 174.600 0.119 0.000 1.005 255 S CA 0.579 58.806 58.200 0.045 0.000 0.949 255 S CB -0.113 63.068 63.200 -0.031 0.000 0.774 255 S HN 0.193 nan 8.310 nan 0.000 0.510 256 M N 1.490 121.170 119.600 0.134 0.000 2.067 256 M HA -0.009 4.498 4.480 0.044 0.000 0.260 256 M C -0.882 175.617 176.300 0.332 0.000 1.069 256 M CA 1.313 56.743 55.300 0.215 0.000 1.117 256 M CB -2.719 29.984 32.600 0.172 0.000 1.334 256 M HN 0.109 nan 8.290 nan 0.000 0.407 257 P HA -0.106 nan 4.420 nan 0.000 0.217 257 P C 1.941 179.406 177.300 0.276 0.000 1.150 257 P CA 1.288 64.570 63.100 0.302 0.000 0.832 257 P CB -0.295 31.571 31.700 0.276 0.000 0.787 258 L N -1.315 120.038 121.223 0.216 0.000 2.046 258 L HA -0.133 4.233 4.340 0.044 0.000 0.208 258 L C 2.779 179.739 176.870 0.150 0.000 1.077 258 L CA 1.357 56.285 54.840 0.147 0.000 0.747 258 L CB -1.106 41.009 42.059 0.093 0.000 0.896 258 L HN -0.079 nan 8.230 nan 0.000 0.432 259 L N -1.080 120.272 121.223 0.214 0.000 2.109 259 L HA -0.193 4.173 4.340 0.044 0.000 0.207 259 L C 2.691 179.698 176.870 0.229 0.000 1.086 259 L CA 0.929 55.909 54.840 0.234 0.000 0.760 259 L CB -0.673 41.593 42.059 0.346 0.000 0.910 259 L HN 0.273 nan 8.230 nan 0.000 0.437 260 H N 1.362 120.566 119.070 0.223 0.000 2.387 260 H HA -0.178 4.404 4.556 0.042 0.000 0.299 260 H C 2.241 177.569 175.328 0.000 0.000 1.099 260 H CA 1.735 57.813 56.048 0.051 0.000 1.315 260 H CB 0.107 29.965 29.762 0.161 0.000 1.380 260 H HN 0.241 nan 8.280 nan 0.000 0.513 261 R N -0.679 119.787 120.500 -0.057 0.000 2.310 261 R HA 0.128 4.495 4.340 0.044 0.000 0.202 261 R C -0.068 176.169 176.300 -0.105 0.000 0.933 261 R CA 0.150 56.171 56.100 -0.132 0.000 1.054 261 R CB 0.419 30.727 30.300 0.015 0.000 0.985 261 R HN 0.016 nan 8.270 nan 0.000 0.489 262 R N 1.397 121.852 120.500 -0.074 0.000 2.748 262 R HA 0.243 4.609 4.340 0.044 0.000 0.283 262 R C -2.172 174.096 176.300 -0.053 0.000 1.507 262 R CA -2.233 53.839 56.100 -0.046 0.000 1.666 262 R CB 1.319 31.613 30.300 -0.008 0.000 1.237 262 R HN 0.094 nan 8.270 nan 0.000 0.633 263 P HA -0.153 nan 4.420 nan 0.000 0.222 263 P C 0.735 178.012 177.300 -0.039 0.000 1.147 263 P CA 1.061 64.115 63.100 -0.077 0.000 0.790 263 P CB 0.307 31.945 31.700 -0.103 0.000 0.780 264 D N -0.198 120.182 120.400 -0.032 0.000 2.144 264 D HA -0.198 4.468 4.640 0.044 0.000 0.199 264 D C 1.645 177.942 176.300 -0.006 0.000 0.984 264 D CA 1.157 55.146 54.000 -0.017 0.000 0.834 264 D CB -0.643 40.147 40.800 -0.016 0.000 0.955 264 D HN 0.140 nan 8.370 nan 0.000 0.465 265 Q N 0.674 120.472 119.800 -0.002 0.000 2.049 265 Q HA 0.008 4.374 4.340 0.044 0.000 0.198 265 Q C 2.487 178.501 176.000 0.024 0.000 0.971 265 Q CA 0.739 56.548 55.803 0.010 0.000 0.833 265 Q CB -0.325 28.419 28.738 0.011 0.000 0.896 265 Q HN 0.470 nan 8.270 nan 0.000 0.434 266 R N 0.637 121.155 120.500 0.031 0.000 2.105 266 R HA -0.158 4.208 4.340 0.044 0.000 0.239 266 R C 2.328 178.650 176.300 0.036 0.000 1.135 266 R CA 1.403 57.534 56.100 0.051 0.000 0.967 266 R CB -0.335 30.000 30.300 0.057 0.000 0.861 266 R HN 0.050 nan 8.270 nan 0.000 0.442 267 R N 1.679 122.189 120.500 0.016 0.000 2.083 267 R HA -0.112 4.254 4.340 0.044 0.000 0.237 267 R C 2.121 178.432 176.300 0.018 0.000 1.137 267 R CA 1.515 57.623 56.100 0.013 0.000 0.951 267 R CB -0.864 29.437 30.300 0.002 0.000 0.851 267 R HN 0.212 nan 8.270 nan 0.000 0.434 268 L N -0.037 121.195 121.223 0.016 0.000 2.043 268 L HA -0.225 4.141 4.340 0.044 0.000 0.212 268 L C 2.318 179.201 176.870 0.023 0.000 1.075 268 L CA 1.530 56.380 54.840 0.016 0.000 0.752 268 L CB -0.442 41.625 42.059 0.013 0.000 0.891 268 L HN 0.240 nan 8.230 nan 0.000 0.432 269 L N -1.305 119.937 121.223 0.031 0.000 2.270 269 L HA -0.106 4.260 4.340 0.044 0.000 0.210 269 L C 2.378 179.273 176.870 0.042 0.000 1.104 269 L CA 0.475 55.337 54.840 0.038 0.000 0.804 269 L CB -0.279 41.810 42.059 0.049 0.000 0.937 269 L HN 0.260 nan 8.230 nan 0.000 0.450 270 L N -0.197 121.051 121.223 0.043 0.000 2.093 270 L HA -0.189 4.177 4.340 0.044 0.000 0.208 270 L C 1.973 178.862 176.870 0.031 0.000 1.085 270 L CA 1.065 55.931 54.840 0.042 0.000 0.755 270 L CB -0.385 41.698 42.059 0.040 0.000 0.904 270 L HN 0.250 nan 8.230 nan 0.000 0.435 271 D N -1.021 119.395 120.400 0.025 0.000 2.234 271 D HA -0.067 4.599 4.640 0.044 0.000 0.205 271 D C 0.281 176.593 176.300 0.020 0.000 0.962 271 D CA 1.002 55.014 54.000 0.020 0.000 0.855 271 D CB 0.117 40.926 40.800 0.015 0.000 0.951 271 D HN 0.142 nan 8.370 nan 0.000 0.500 272 D N -1.172 119.242 120.400 0.022 0.000 2.364 272 D HA 0.173 4.839 4.640 0.044 0.000 0.251 272 D C -2.227 174.088 176.300 0.026 0.000 1.282 272 D CA -1.705 52.308 54.000 0.022 0.000 0.927 272 D CB 1.528 42.339 40.800 0.018 0.000 1.267 272 D HN -0.225 nan 8.370 nan 0.000 0.531 273 P HA -0.032 nan 4.420 nan 0.000 0.228 273 P C 0.583 177.900 177.300 0.030 0.000 1.151 273 P CA 0.663 63.782 63.100 0.032 0.000 0.770 273 P CB 0.437 32.156 31.700 0.033 0.000 0.786 274 E N -0.919 119.297 120.200 0.026 0.000 2.481 274 E HA 0.057 4.433 4.350 0.044 0.000 0.195 274 E C 1.988 178.603 176.600 0.025 0.000 1.047 274 E CA 0.538 56.953 56.400 0.025 0.000 0.867 274 E CB -0.989 28.725 29.700 0.022 0.000 0.858 274 E HN 0.207 nan 8.360 nan 0.000 0.513 275 G N 0.000 108.815 108.800 0.025 0.000 2.985 275 G HA2 -0.049 3.937 3.960 0.044 0.000 0.209 275 G HA3 -0.049 3.937 3.960 0.044 0.000 0.209 275 G C 1.301 176.217 174.900 0.026 0.000 1.165 275 G CA -0.119 44.995 45.100 0.023 0.000 0.776 275 G HN 0.185 nan 8.290 nan 0.000 0.541 276 I N 1.044 121.632 120.570 0.030 0.000 2.202 276 I HA -0.072 4.124 4.170 0.044 0.000 0.242 276 I C -0.084 176.052 176.117 0.032 0.000 1.091 276 I CA 0.750 62.070 61.300 0.033 0.000 1.368 276 I CB -0.704 37.318 38.000 0.037 0.000 1.058 276 I HN 0.073 nan 8.210 nan 0.000 0.410 277 P HA -0.211 nan 4.420 nan 0.000 0.217 277 P C 1.002 178.324 177.300 0.036 0.000 1.162 277 P CA 1.701 64.823 63.100 0.038 0.000 0.901 277 P CB -0.051 31.672 31.700 0.038 0.000 0.793 278 D N -1.329 119.089 120.400 0.030 0.000 2.178 278 D HA -0.089 4.577 4.640 0.044 0.000 0.202 278 D C 1.952 178.262 176.300 0.017 0.000 0.974 278 D CA 1.386 55.401 54.000 0.024 0.000 0.841 278 D CB -0.661 40.151 40.800 0.019 0.000 0.953 278 D HN 0.085 nan 8.370 nan 0.000 0.478 279 A N 0.589 123.419 122.820 0.018 0.000 1.930 279 A HA -0.117 4.229 4.320 0.044 0.000 0.217 279 A C 2.509 180.097 177.584 0.007 0.000 1.175 279 A CA 0.932 52.976 52.037 0.012 0.000 0.627 279 A CB -0.644 18.369 19.000 0.022 0.000 0.815 279 A HN 0.134 nan 8.150 nan 0.000 0.443 280 V N 0.497 120.422 119.914 0.018 0.000 2.332 280 V HA -0.243 3.903 4.120 0.044 0.000 0.248 280 V C 2.543 178.646 176.094 0.015 0.000 1.055 280 V CA 2.183 64.495 62.300 0.020 0.000 1.038 280 V CB -0.713 31.134 31.823 0.040 0.000 0.651 280 V HN 0.528 nan 8.190 nan 0.000 0.450 281 E N -0.083 120.130 120.200 0.023 0.000 2.110 281 E HA -0.241 4.136 4.350 0.044 0.000 0.193 281 E C 2.190 178.764 176.600 -0.043 0.000 0.988 281 E CA 1.423 57.831 56.400 0.014 0.000 0.804 281 E CB -0.185 29.534 29.700 0.032 0.000 0.745 281 E HN 0.714 nan 8.360 nan 0.000 0.458 282 E N 1.009 121.179 120.200 -0.050 0.000 2.072 282 E HA -0.087 4.289 4.350 0.044 0.000 0.191 282 E C 2.178 178.718 176.600 -0.100 0.000 0.985 282 E CA 0.666 57.012 56.400 -0.091 0.000 0.801 282 E CB -0.275 29.384 29.700 -0.069 0.000 0.750 282 E HN 0.173 nan 8.360 nan 0.000 0.452 283 L N 0.010 121.195 121.223 -0.064 0.000 2.083 283 L HA -0.161 4.205 4.340 0.044 0.000 0.209 283 L C 2.507 179.325 176.870 -0.086 0.000 1.083 283 L CA 0.915 55.718 54.840 -0.062 0.000 0.752 283 L CB -0.405 41.633 42.059 -0.036 0.000 0.899 283 L HN 0.229 nan 8.230 nan 0.000 0.433 284 L N -0.633 120.533 121.223 -0.095 0.000 2.083 284 L HA -0.216 4.150 4.340 0.044 0.000 0.209 284 L C 2.844 179.605 176.870 -0.182 0.000 1.083 284 L CA 1.089 55.836 54.840 -0.155 0.000 0.752 284 L CB -0.469 41.485 42.059 -0.175 0.000 0.899 284 L HN 0.252 nan 8.230 nan 0.000 0.433 285 R N 0.568 120.965 120.500 -0.172 0.000 2.080 285 R HA -0.190 4.176 4.340 0.044 0.000 0.236 285 R C 2.245 178.424 176.300 -0.201 0.000 1.137 285 R CA 1.700 57.674 56.100 -0.210 0.000 0.943 285 R CB -0.231 29.888 30.300 -0.302 0.000 0.846 285 R HN 0.302 nan 8.270 nan 0.000 0.431 286 L N -0.124 120.979 121.223 -0.200 0.000 2.209 286 L HA -0.042 4.324 4.340 0.044 0.000 0.207 286 L C 2.586 179.358 176.870 -0.164 0.000 1.094 286 L CA 1.375 56.070 54.840 -0.242 0.000 0.790 286 L CB -0.290 41.629 42.059 -0.233 0.000 0.932 286 L HN 0.436 nan 8.230 nan 0.000 0.447 287 T N -4.500 110.007 114.554 -0.077 0.000 2.896 287 T HA -0.089 4.287 4.350 0.044 0.000 0.263 287 T C 1.277 175.997 174.700 0.033 0.000 1.050 287 T CA 0.562 62.670 62.100 0.012 0.000 1.140 287 T CB -0.212 68.658 68.868 0.005 0.000 0.877 287 T HN 0.162 nan 8.240 nan 0.000 0.457 288 S N 2.977 118.657 115.700 -0.034 0.000 3.243 288 S HA -0.085 4.412 4.470 0.044 0.000 0.333 288 S C -1.365 173.243 174.600 0.012 0.000 0.913 288 S CA 0.320 58.506 58.200 -0.023 0.000 1.310 288 S CB -0.942 62.301 63.200 0.072 0.000 0.894 288 S HN 0.441 nan 8.310 nan 0.000 0.498 289 P HA -0.054 nan 4.420 nan 0.000 0.216 289 P C 0.405 177.700 177.300 -0.007 0.000 1.150 289 P CA 0.793 63.871 63.100 -0.037 0.000 0.843 289 P CB 0.085 31.761 31.700 -0.040 0.000 0.787 290 V N 2.070 122.012 119.914 0.048 0.000 2.352 290 V HA 0.015 4.161 4.120 0.044 0.000 0.253 290 V C 1.576 177.817 176.094 0.245 0.000 1.083 290 V CA 0.436 62.830 62.300 0.157 0.000 0.993 290 V CB 0.246 32.187 31.823 0.198 0.000 1.111 290 V HN 0.109 nan 8.190 nan 0.000 0.490 291 Q N 3.042 122.979 119.800 0.228 0.000 2.187 291 Q HA 0.139 4.506 4.340 0.044 0.000 0.199 291 Q C 1.001 177.149 176.000 0.247 0.000 0.957 291 Q CA 0.945 56.926 55.803 0.296 0.000 0.857 291 Q CB 0.771 29.742 28.738 0.389 0.000 0.929 291 Q HN 0.859 nan 8.270 nan 0.000 0.453 292 G N -0.294 108.640 108.800 0.224 0.000 2.732 292 G HA2 0.584 4.570 3.960 0.044 0.000 0.296 292 G HA3 0.584 4.570 3.960 0.044 0.000 0.296 292 G C -1.638 173.337 174.900 0.124 0.000 1.448 292 G CA -0.576 44.546 45.100 0.037 0.000 0.911 292 G HN 0.023 nan 8.290 nan 0.000 0.528 293 L N 0.407 121.526 121.223 -0.172 0.000 2.393 293 L HA 0.821 5.187 4.340 0.044 0.000 0.260 293 L C 0.401 177.179 176.870 -0.153 0.000 1.002 293 L CA -1.167 53.620 54.840 -0.089 0.000 0.818 293 L CB 2.342 44.372 42.059 -0.048 0.000 1.369 293 L HN 0.784 nan 8.230 nan 0.000 0.412 294 A N 1.766 124.501 122.820 -0.141 0.000 2.269 294 A HA 0.908 5.254 4.320 0.044 0.000 0.319 294 A C -0.666 176.857 177.584 -0.101 0.000 1.110 294 A CA -0.551 51.417 52.037 -0.115 0.000 0.847 294 A CB 1.000 19.918 19.000 -0.137 0.000 1.161 294 A HN 0.643 nan 8.150 nan 0.000 0.497 295 R N -0.414 120.066 120.500 -0.034 0.000 2.912 295 R HA 0.686 5.052 4.340 0.044 0.000 0.262 295 R C -1.319 175.015 176.300 0.057 0.000 1.057 295 R CA -0.538 55.582 56.100 0.032 0.000 0.981 295 R CB 1.464 31.854 30.300 0.149 0.000 1.201 295 R HN 0.680 nan 8.270 nan 0.000 0.484 296 T N 1.265 115.851 114.554 0.052 0.000 2.809 296 T HA 0.204 4.580 4.350 0.044 0.000 0.284 296 T C -0.150 174.555 174.700 0.008 0.000 0.992 296 T CA -0.652 61.467 62.100 0.031 0.000 0.957 296 T CB 1.321 70.187 68.868 -0.003 0.000 0.942 296 T HN 0.639 nan 8.240 nan 0.000 0.439 297 T N 0.495 115.032 114.554 -0.028 0.000 2.908 297 T HA 0.083 4.459 4.350 0.044 0.000 0.301 297 T C 1.439 176.057 174.700 -0.138 0.000 1.019 297 T CA 0.011 61.994 62.100 -0.195 0.000 1.152 297 T CB 0.487 69.217 68.868 -0.229 0.000 0.966 297 T HN 0.696 nan 8.240 nan 0.000 0.540 298 T N -0.135 114.311 114.554 -0.180 0.000 3.040 298 T HA 0.245 4.621 4.350 0.044 0.000 0.250 298 T C 0.569 175.197 174.700 -0.120 0.000 1.058 298 T CA -0.538 61.493 62.100 -0.115 0.000 0.988 298 T CB -0.189 68.620 68.868 -0.098 0.000 0.993 298 T HN 1.006 nan 8.240 nan 0.000 0.519 299 R N -0.539 119.861 120.500 -0.167 0.000 2.733 299 R HA 0.571 4.937 4.340 0.044 0.000 0.272 299 R C -2.096 174.102 176.300 -0.169 0.000 1.029 299 R CA -1.061 54.954 56.100 -0.141 0.000 0.888 299 R CB 0.061 30.282 30.300 -0.132 0.000 1.251 299 R HN -0.183 nan 8.270 nan 0.000 0.464 300 D N 0.629 120.950 120.400 -0.131 0.000 2.506 300 D HA 0.233 4.899 4.640 0.044 0.000 0.234 300 D C -0.723 175.481 176.300 -0.160 0.000 1.143 300 D CA 0.296 54.214 54.000 -0.137 0.000 0.871 300 D CB 1.360 42.101 40.800 -0.098 0.000 1.190 300 D HN 0.343 nan 8.370 nan 0.000 0.459 301 V N 1.732 121.542 119.914 -0.173 0.000 2.733 301 V HA 0.392 4.538 4.120 0.044 0.000 0.306 301 V C -0.906 175.130 176.094 -0.096 0.000 1.084 301 V CA -0.408 61.806 62.300 -0.144 0.000 0.905 301 V CB 2.407 34.098 31.823 -0.220 0.000 1.010 301 V HN 0.530 nan 8.190 nan 0.000 0.424 302 T N 8.276 122.799 114.554 -0.052 0.000 2.758 302 T HA 0.626 5.002 4.350 0.044 0.000 0.285 302 T C -0.363 174.340 174.700 0.005 0.000 0.981 302 T CA 0.004 62.084 62.100 -0.034 0.000 0.965 302 T CB 0.522 69.373 68.868 -0.028 0.000 0.927 302 T HN 0.538 nan 8.240 nan 0.000 0.448 303 I N 3.286 123.863 120.570 0.012 0.000 2.420 303 I HA 0.487 4.683 4.170 0.044 0.000 0.282 303 I C 1.215 177.351 176.117 0.032 0.000 1.019 303 I CA -0.524 60.799 61.300 0.038 0.000 1.130 303 I CB 1.003 39.040 38.000 0.061 0.000 1.262 303 I HN 0.867 nan 8.210 nan 0.000 0.454 304 G N 4.619 113.437 108.800 0.031 0.000 2.620 304 G HA2 -0.449 3.538 3.960 0.044 0.000 0.315 304 G HA3 -0.449 3.538 3.960 0.044 0.000 0.315 304 G C 0.540 175.453 174.900 0.022 0.000 1.179 304 G CA 0.836 45.954 45.100 0.029 0.000 0.971 304 G HN 0.666 nan 8.290 nan 0.000 0.544 305 D N -0.138 120.279 120.400 0.028 0.000 2.395 305 D HA 0.538 5.204 4.640 0.044 0.000 0.213 305 D C 0.918 177.231 176.300 0.022 0.000 1.110 305 D CA 1.518 55.533 54.000 0.025 0.000 0.835 305 D CB 0.262 41.081 40.800 0.033 0.000 0.965 305 D HN 0.708 nan 8.370 nan 0.000 0.505 306 T N 0.062 114.626 114.554 0.017 0.000 2.807 306 T HA 0.541 4.917 4.350 0.044 0.000 0.279 306 T C -0.451 174.219 174.700 -0.050 0.000 0.993 306 T CA -0.293 61.810 62.100 0.006 0.000 0.970 306 T CB 1.814 70.710 68.868 0.047 0.000 0.950 306 T HN 0.074 nan 8.240 nan 0.000 0.441 307 T N 3.640 118.145 114.554 -0.082 0.000 2.772 307 T HA 0.494 4.870 4.350 0.044 0.000 0.288 307 T C 0.225 174.780 174.700 -0.242 0.000 0.994 307 T CA -0.434 61.591 62.100 -0.125 0.000 0.951 307 T CB 0.189 69.007 68.868 -0.085 0.000 0.933 307 T HN 0.407 nan 8.240 nan 0.000 0.447 308 I N 6.421 126.782 120.570 -0.348 0.000 2.371 308 I HA 0.265 4.462 4.170 0.044 0.000 0.290 308 I C -2.015 173.912 176.117 -0.316 0.000 1.028 308 I CA -2.392 58.551 61.300 -0.595 0.000 1.345 308 I CB 1.052 38.661 38.000 -0.652 0.000 1.407 308 I HN 0.318 nan 8.210 nan 0.000 0.501 309 P HA 0.072 nan 4.420 nan 0.000 0.269 309 P C -0.467 176.772 177.300 -0.102 0.000 1.209 309 P CA -0.368 62.663 63.100 -0.115 0.000 0.776 309 P CB 0.539 32.210 31.700 -0.049 0.000 0.876 310 A N 2.453 125.219 122.820 -0.090 0.000 2.565 310 A HA 0.368 4.714 4.320 0.044 0.000 0.237 310 A C 1.495 179.060 177.584 -0.031 0.000 1.053 310 A CA 0.917 52.907 52.037 -0.078 0.000 0.755 310 A CB -1.508 17.450 19.000 -0.070 0.000 0.980 310 A HN 0.919 nan 8.150 nan 0.000 0.506 311 G N 1.340 110.131 108.800 -0.014 0.000 2.141 311 G HA2 -0.183 3.803 3.960 0.044 0.000 0.242 311 G HA3 -0.183 3.803 3.960 0.044 0.000 0.242 311 G C 0.263 175.241 174.900 0.130 0.000 0.982 311 G CA 0.306 45.430 45.100 0.040 0.000 0.662 311 G HN 0.813 nan 8.290 nan 0.000 0.527 312 R N -0.006 120.576 120.500 0.136 0.000 2.668 312 R HA 0.543 4.909 4.340 0.044 0.000 0.279 312 R C 0.478 176.930 176.300 0.254 0.000 0.976 312 R CA -0.897 55.382 56.100 0.299 0.000 0.978 312 R CB 0.727 31.214 30.300 0.313 0.000 1.133 312 R HN 0.173 nan 8.270 nan 0.000 0.484 313 R N 0.821 121.477 120.500 0.260 0.000 2.490 313 R HA 0.288 4.654 4.340 0.044 0.000 0.280 313 R C -0.372 176.062 176.300 0.223 0.000 1.077 313 R CA -0.413 55.712 56.100 0.043 0.000 1.065 313 R CB 0.594 30.695 30.300 -0.332 0.000 1.003 313 R HN 0.230 nan 8.270 nan 0.000 0.470 314 V N 4.399 124.414 119.914 0.170 0.000 2.407 314 V HA 0.173 4.319 4.120 0.044 0.000 0.291 314 V C -0.341 175.808 176.094 0.092 0.000 1.018 314 V CA -0.985 61.441 62.300 0.210 0.000 0.842 314 V CB 1.700 33.675 31.823 0.253 0.000 0.996 314 V HN 0.468 nan 8.190 nan 0.000 0.426 315 L N 6.763 128.058 121.223 0.120 0.000 2.325 315 L HA 0.408 4.774 4.340 0.044 0.000 0.284 315 L C -0.188 176.653 176.870 -0.048 0.000 1.089 315 L CA 0.342 55.212 54.840 0.051 0.000 0.836 315 L CB 0.387 42.538 42.059 0.153 0.000 1.184 315 L HN 0.530 nan 8.230 nan 0.000 0.444 316 L N 7.107 128.218 121.223 -0.186 0.000 2.312 316 L HA 0.223 4.589 4.340 0.044 0.000 0.287 316 L C 0.001 176.623 176.870 -0.414 0.000 1.091 316 L CA -0.278 54.367 54.840 -0.324 0.000 0.846 316 L CB 0.168 41.944 42.059 -0.472 0.000 1.219 316 L HN 0.535 nan 8.230 nan 0.000 0.439 317 L N 4.448 125.539 121.223 -0.219 0.000 2.415 317 L HA 0.022 4.388 4.340 0.044 0.000 0.269 317 L C 0.871 177.678 176.870 -0.106 0.000 1.244 317 L CA -0.261 54.462 54.840 -0.195 0.000 1.113 317 L CB -0.252 41.652 42.059 -0.258 0.000 1.352 317 L HN 0.565 nan 8.230 nan 0.000 0.433 318 Y N 1.699 122.002 120.300 0.004 0.000 2.193 318 Y HA -0.216 4.352 4.550 0.030 0.000 0.285 318 Y C 2.327 178.252 175.900 0.040 0.000 1.166 318 Y CA 1.170 59.286 58.100 0.027 0.000 1.181 318 Y CB -0.891 37.593 38.460 0.040 0.000 0.976 318 Y HN 0.560 nan 8.280 nan 0.000 0.520 319 G N -1.806 107.118 108.800 0.207 0.000 2.448 319 G HA2 -0.236 3.751 3.960 0.044 0.000 0.219 319 G HA3 -0.236 3.751 3.960 0.044 0.000 0.219 319 G C 1.999 177.023 174.900 0.208 0.000 1.127 319 G CA 1.218 46.485 45.100 0.278 0.000 0.766 319 G HN 0.443 nan 8.290 nan 0.000 0.552 320 S N 0.364 115.974 115.700 -0.150 0.000 2.371 320 S HA 0.241 4.737 4.470 0.044 0.000 0.221 320 S C 2.754 177.421 174.600 0.112 0.000 1.036 320 S CA 1.272 59.409 58.200 -0.106 0.000 0.965 320 S CB -0.418 62.517 63.200 -0.441 0.000 0.845 320 S HN 0.479 nan 8.310 nan 0.000 0.475 321 A N 2.370 125.263 122.820 0.122 0.000 1.917 321 A HA -0.138 4.208 4.320 0.044 0.000 0.219 321 A C 1.930 179.777 177.584 0.439 0.000 1.182 321 A CA 1.890 54.074 52.037 0.244 0.000 0.633 321 A CB -0.946 18.153 19.000 0.166 0.000 0.819 321 A HN 0.617 nan 8.150 nan 0.000 0.448 322 N N -0.654 118.237 118.700 0.318 0.000 2.520 322 N HA -0.052 4.714 4.740 0.044 0.000 0.185 322 N C 1.316 176.871 175.510 0.075 0.000 1.068 322 N CA 0.788 53.973 53.050 0.225 0.000 0.911 322 N CB -0.171 38.341 38.487 0.042 0.000 0.961 322 N HN 0.541 nan 8.380 nan 0.000 0.446 323 R N -0.168 120.432 120.500 0.166 0.000 2.472 323 R HA 0.099 4.466 4.340 0.044 0.000 0.279 323 R C -0.452 175.966 176.300 0.196 0.000 0.953 323 R CA -0.326 55.836 56.100 0.103 0.000 1.088 323 R CB 0.508 30.850 30.300 0.071 0.000 1.197 323 R HN -0.013 nan 8.270 nan 0.000 0.536 324 D N 1.492 122.057 120.400 0.274 0.000 2.363 324 D HA -0.042 4.624 4.640 0.044 0.000 0.263 324 D C 0.514 176.885 176.300 0.119 0.000 1.258 324 D CA 0.384 54.490 54.000 0.177 0.000 0.907 324 D CB 0.994 41.894 40.800 0.167 0.000 1.107 324 D HN 0.033 nan 8.370 nan 0.000 0.495 325 E N 2.580 122.828 120.200 0.079 0.000 2.171 325 E HA -0.222 4.155 4.350 0.044 0.000 0.197 325 E C 1.798 178.382 176.600 -0.027 0.000 0.997 325 E CA 1.239 57.661 56.400 0.036 0.000 0.810 325 E CB 0.107 29.825 29.700 0.029 0.000 0.738 325 E HN 0.468 nan 8.360 nan 0.000 0.467 326 R N -0.267 120.207 120.500 -0.044 0.000 2.152 326 R HA -0.158 4.208 4.340 0.044 0.000 0.232 326 R C 2.185 178.365 176.300 -0.200 0.000 1.117 326 R CA 1.452 57.499 56.100 -0.088 0.000 0.981 326 R CB -0.062 30.204 30.300 -0.056 0.000 0.870 326 R HN 0.122 nan 8.270 nan 0.000 0.451 327 Q N -0.931 118.672 119.800 -0.328 0.000 2.390 327 Q HA 0.009 4.375 4.340 0.044 0.000 0.216 327 Q C 0.631 176.162 176.000 -0.782 0.000 0.916 327 Q CA 1.095 56.467 55.803 -0.718 0.000 0.911 327 Q CB 0.361 28.305 28.738 -1.322 0.000 1.035 327 Q HN 0.410 nan 8.270 nan 0.000 0.541 328 Y N -0.334 119.863 120.300 -0.172 0.000 2.467 328 Y HA 0.535 5.112 4.550 0.045 0.000 0.250 328 Y C 0.758 176.605 175.900 -0.088 0.000 1.155 328 Y CA -0.020 58.002 58.100 -0.130 0.000 1.249 328 Y CB 1.176 39.567 38.460 -0.115 0.000 1.146 328 Y HN 0.209 nan 8.280 nan 0.000 0.524 329 G N 0.812 109.617 108.800 0.008 0.000 2.712 329 G HA2 -0.198 3.788 3.960 0.044 0.000 0.683 329 G HA3 -0.198 3.788 3.960 0.044 0.000 0.683 329 G C -2.362 172.548 174.900 0.017 0.000 1.320 329 G CA -0.795 44.306 45.100 0.002 0.000 0.847 329 G HN 0.001 nan 8.290 nan 0.000 0.553 330 P HA 0.064 nan 4.420 nan 0.000 0.223 330 P C 1.051 178.358 177.300 0.011 0.000 1.151 330 P CA 1.678 64.784 63.100 0.010 0.000 0.787 330 P CB 0.044 31.747 31.700 0.006 0.000 0.788 331 D N -1.205 119.199 120.400 0.007 0.000 2.336 331 D HA 0.129 4.795 4.640 0.044 0.000 0.228 331 D C 1.392 177.685 176.300 -0.012 0.000 1.120 331 D CA -0.200 53.798 54.000 -0.003 0.000 0.839 331 D CB -0.665 40.131 40.800 -0.007 0.000 0.932 331 D HN -0.005 nan 8.370 nan 0.000 0.509 332 A N 0.980 123.805 122.820 0.008 0.000 2.032 332 A HA -0.065 4.281 4.320 0.044 0.000 0.221 332 A C 2.294 179.832 177.584 -0.078 0.000 1.165 332 A CA 1.750 53.790 52.037 0.005 0.000 0.645 332 A CB -0.601 18.442 19.000 0.072 0.000 0.807 332 A HN 0.410 nan 8.150 nan 0.000 0.453 333 A N -0.714 122.061 122.820 -0.075 0.000 2.206 333 A HA 0.144 4.490 4.320 0.044 0.000 0.211 333 A C 0.696 178.188 177.584 -0.153 0.000 1.158 333 A CA 0.363 52.316 52.037 -0.141 0.000 0.761 333 A CB -0.102 18.844 19.000 -0.089 0.000 0.801 333 A HN 0.658 nan 8.150 nan 0.000 0.473 334 E N -0.820 119.317 120.200 -0.104 0.000 2.207 334 E HA 0.458 4.834 4.350 0.044 0.000 0.270 334 E C -1.199 175.349 176.600 -0.086 0.000 0.927 334 E CA -1.158 55.195 56.400 -0.079 0.000 0.799 334 E CB 1.718 31.391 29.700 -0.045 0.000 1.172 334 E HN 0.174 nan 8.360 nan 0.000 0.404 335 L N 2.590 123.773 121.223 -0.067 0.000 2.477 335 L HA 0.115 4.481 4.340 0.044 0.000 0.272 335 L C -0.729 176.116 176.870 -0.042 0.000 1.157 335 L CA 0.683 55.489 54.840 -0.056 0.000 0.889 335 L CB 0.090 42.132 42.059 -0.028 0.000 1.158 335 L HN 0.442 nan 8.230 nan 0.000 0.473 336 D N 3.373 123.745 120.400 -0.048 0.000 2.402 336 D HA 0.137 4.804 4.640 0.044 0.000 0.252 336 D C 0.717 177.000 176.300 -0.029 0.000 1.294 336 D CA -0.273 53.707 54.000 -0.032 0.000 0.948 336 D CB 1.278 42.059 40.800 -0.031 0.000 1.202 336 D HN 0.326 nan 8.370 nan 0.000 0.561 337 V N 1.901 121.806 119.914 -0.015 0.000 3.241 337 V HA -0.013 4.133 4.120 0.044 0.000 0.269 337 V C 1.461 177.552 176.094 -0.005 0.000 1.151 337 V CA 1.855 64.150 62.300 -0.009 0.000 1.158 337 V CB -1.191 30.635 31.823 0.005 0.000 0.764 337 V HN 0.642 nan 8.190 nan 0.000 0.508 338 T N -3.078 111.472 114.554 -0.006 0.000 3.086 338 T HA 0.141 4.517 4.350 0.044 0.000 0.250 338 T C 1.718 176.416 174.700 -0.004 0.000 1.074 338 T CA 0.469 62.568 62.100 -0.002 0.000 0.988 338 T CB -0.184 68.684 68.868 0.000 0.000 0.988 338 T HN 0.495 nan 8.240 nan 0.000 0.530 339 R N 0.709 121.202 120.500 -0.012 0.000 2.096 339 R HA -0.098 4.268 4.340 0.044 0.000 0.240 339 R C 0.419 176.721 176.300 0.003 0.000 1.139 339 R CA 1.487 57.582 56.100 -0.009 0.000 0.952 339 R CB -1.053 29.229 30.300 -0.031 0.000 0.854 339 R HN 0.498 nan 8.270 nan 0.000 0.436 340 C N 0.702 120.003 119.300 0.001 0.000 3.873 340 C HA -0.063 4.423 4.460 0.044 0.000 0.302 340 C C -2.146 172.861 174.990 0.027 0.000 1.266 340 C CA -0.683 58.343 59.018 0.013 0.000 2.185 340 C CB -2.044 25.705 27.740 0.015 0.000 1.380 340 C HN 0.486 nan 8.230 nan 0.000 0.623 341 P HA 0.455 nan 4.420 nan 0.000 0.269 341 P C 0.111 177.486 177.300 0.125 0.000 1.215 341 P CA 0.646 63.796 63.100 0.083 0.000 0.780 341 P CB 0.541 32.188 31.700 -0.087 0.000 0.898 342 R N 1.172 121.780 120.500 0.180 0.000 2.532 342 R HA 0.371 4.737 4.340 0.044 0.000 0.295 342 R C 0.510 176.826 176.300 0.027 0.000 0.968 342 R CA -0.596 55.527 56.100 0.039 0.000 0.916 342 R CB -0.782 29.468 30.300 -0.083 0.000 1.124 342 R HN 0.581 nan 8.270 nan 0.000 0.463 343 N N 0.205 118.892 118.700 -0.022 0.000 2.738 343 N HA -0.148 4.618 4.740 0.044 0.000 0.249 343 N C 0.326 175.936 175.510 0.166 0.000 1.047 343 N CA 1.294 54.250 53.050 -0.156 0.000 0.707 343 N CB -1.659 36.305 38.487 -0.872 0.000 0.937 343 N HN 0.939 nan 8.380 nan 0.000 0.545 344 I N -3.346 117.381 120.570 0.262 0.000 2.993 344 I HA 0.059 4.256 4.170 0.044 0.000 0.286 344 I C 1.231 177.530 176.117 0.302 0.000 1.215 344 I CA -0.098 61.366 61.300 0.274 0.000 1.393 344 I CB 0.427 38.480 38.000 0.088 0.000 1.371 344 I HN 0.053 nan 8.210 nan 0.000 0.602 345 L N 2.887 124.225 121.223 0.191 0.000 2.769 345 L HA 0.111 4.477 4.340 0.044 0.000 0.240 345 L C 1.856 178.584 176.870 -0.237 0.000 1.163 345 L CA 0.127 55.001 54.840 0.056 0.000 0.962 345 L CB -0.033 42.108 42.059 0.136 0.000 1.258 345 L HN 0.866 nan 8.230 nan 0.000 0.513 346 T N 0.010 114.419 114.554 -0.242 0.000 2.720 346 T HA -0.157 4.220 4.350 0.044 0.000 0.268 346 T C 0.913 175.243 174.700 -0.617 0.000 1.037 346 T CA 1.662 63.469 62.100 -0.489 0.000 1.144 346 T CB -0.230 68.191 68.868 -0.744 0.000 0.864 346 T HN 0.149 nan 8.240 nan 0.000 0.444 347 F N 1.405 121.241 119.950 -0.190 0.000 2.660 347 F HA 0.549 5.066 4.527 -0.017 0.000 0.297 347 F C 1.269 176.858 175.800 -0.351 0.000 1.132 347 F CA -0.658 57.158 58.000 -0.307 0.000 1.372 347 F CB -1.112 37.641 39.000 -0.411 0.000 1.003 347 F HN 0.053 nan 8.300 nan 0.000 0.524 348 S N 0.342 115.816 115.700 -0.377 0.000 3.443 348 S HA -0.307 4.190 4.470 0.044 0.000 0.635 348 S C -0.787 173.818 174.600 0.007 0.000 2.555 348 S CA 0.899 58.848 58.200 -0.418 0.000 2.778 348 S CB -0.647 62.405 63.200 -0.248 0.000 0.331 348 S HN 0.747 nan 8.310 nan 0.000 1.765 349 H N -0.027 118.956 119.070 -0.144 0.000 3.085 349 H HA 0.576 5.155 4.556 0.038 0.000 0.356 349 H C 0.031 175.240 175.328 -0.197 0.000 1.178 349 H CA 1.567 57.460 56.048 -0.259 0.000 1.214 349 H CB 0.851 30.095 29.762 -0.863 0.000 1.881 349 H HN 1.993 nan 8.280 nan 0.000 0.538 350 G N 1.705 110.132 108.800 -0.622 0.000 2.466 350 G HA2 0.038 4.025 3.960 0.044 0.000 0.218 350 G HA3 0.038 4.025 3.960 0.044 0.000 0.218 350 G C 1.097 175.886 174.900 -0.185 0.000 1.237 350 G CA 0.633 45.452 45.100 -0.470 0.000 0.954 350 G HN 1.396 nan 8.290 nan 0.000 0.580 351 A N -1.427 121.287 122.820 -0.176 0.000 1.948 351 A HA -0.039 4.308 4.320 0.044 0.000 0.220 351 A C 1.723 179.127 177.584 -0.300 0.000 1.177 351 A CA 2.458 54.324 52.037 -0.284 0.000 0.636 351 A CB -0.596 18.054 19.000 -0.583 0.000 0.815 351 A HN 0.831 nan 8.150 nan 0.000 0.449 352 H N -1.738 117.271 119.070 -0.102 0.000 2.520 352 H HA 0.054 4.634 4.556 0.040 0.000 0.284 352 H C 0.166 175.497 175.328 0.004 0.000 1.037 352 H CA -0.211 55.806 56.048 -0.052 0.000 1.168 352 H CB -0.392 29.308 29.762 -0.103 0.000 1.497 352 H HN 0.647 nan 8.280 nan 0.000 0.547 353 H N 1.363 120.435 119.070 0.004 0.000 3.195 353 H HA -0.118 4.483 4.556 0.075 0.000 0.302 353 H C 0.072 175.384 175.328 -0.027 0.000 0.950 353 H CA 0.245 56.293 56.048 -0.000 0.000 1.398 353 H CB 0.431 30.185 29.762 -0.013 0.000 1.377 353 H HN 0.290 nan 8.280 nan 0.000 0.572 354 C N 7.337 126.350 119.300 -0.478 0.000 2.271 354 C HA -0.082 4.404 4.460 0.044 0.000 0.397 354 C C 2.222 176.953 174.990 -0.431 0.000 1.533 354 C CA -0.289 58.506 59.018 -0.371 0.000 1.433 354 C CB -1.825 25.705 27.740 -0.350 0.000 2.511 354 C HN 0.898 nan 8.230 nan 0.000 0.610 355 L N 5.071 126.054 121.223 -0.399 0.000 2.191 355 L HA 0.000 4.367 4.340 0.044 0.000 0.212 355 L C 2.444 178.939 176.870 -0.625 0.000 1.103 355 L CA 1.619 56.073 54.840 -0.644 0.000 0.769 355 L CB -0.436 40.914 42.059 -1.181 0.000 0.908 355 L HN 0.975 nan 8.230 nan 0.000 0.438 356 G N -1.341 107.172 108.800 -0.479 0.000 2.985 356 G HA2 0.107 4.093 3.960 0.044 0.000 0.209 356 G HA3 0.107 4.093 3.960 0.044 0.000 0.209 356 G C 1.636 176.288 174.900 -0.414 0.000 1.165 356 G CA 0.524 45.421 45.100 -0.339 0.000 0.776 356 G HN 0.386 nan 8.290 nan 0.000 0.541 357 A N 1.358 123.779 122.820 -0.664 0.000 1.892 357 A HA 0.090 4.436 4.320 0.044 0.000 0.218 357 A C 2.770 180.027 177.584 -0.545 0.000 1.188 357 A CA 2.343 53.661 52.037 -1.198 0.000 0.631 357 A CB -0.704 17.583 19.000 -1.187 0.000 0.822 357 A HN 0.723 nan 8.150 nan 0.000 0.447 358 A N -0.518 122.160 122.820 -0.238 0.000 1.930 358 A HA 0.228 4.574 4.320 0.044 0.000 0.217 358 A C 2.496 180.080 177.584 0.000 0.000 1.175 358 A CA 1.946 53.950 52.037 -0.055 0.000 0.627 358 A CB -0.946 18.076 19.000 0.036 0.000 0.815 358 A HN 1.068 nan 8.150 nan 0.000 0.443 359 A N 0.002 122.816 122.820 -0.010 0.000 1.877 359 A HA 0.165 4.511 4.320 0.044 0.000 0.216 359 A C 2.515 180.105 177.584 0.011 0.000 1.186 359 A CA 2.083 54.143 52.037 0.038 0.000 0.620 359 A CB -1.044 17.908 19.000 -0.079 0.000 0.822 359 A HN 1.018 nan 8.150 nan 0.000 0.443 360 A N -0.254 122.547 122.820 -0.033 0.000 1.877 360 A HA -0.169 4.178 4.320 0.044 0.000 0.216 360 A C 2.252 179.886 177.584 0.083 0.000 1.186 360 A CA 1.587 53.652 52.037 0.046 0.000 0.620 360 A CB -0.487 18.601 19.000 0.147 0.000 0.822 360 A HN 0.543 nan 8.150 nan 0.000 0.443 361 R N -1.330 119.219 120.500 0.081 0.000 2.081 361 R HA -0.129 4.237 4.340 0.044 0.000 0.235 361 R C 2.370 178.707 176.300 0.062 0.000 1.131 361 R CA 1.565 57.723 56.100 0.097 0.000 0.960 361 R CB -0.404 29.951 30.300 0.092 0.000 0.856 361 R HN 0.605 nan 8.270 nan 0.000 0.436 362 M N 1.276 120.909 119.600 0.054 0.000 2.080 362 M HA -0.235 4.271 4.480 0.044 0.000 0.260 362 M C 1.743 178.070 176.300 0.045 0.000 1.068 362 M CA 1.912 57.244 55.300 0.053 0.000 1.109 362 M CB -0.365 32.273 32.600 0.065 0.000 1.342 362 M HN 0.172 nan 8.290 nan 0.000 0.405 363 Q N -0.963 118.861 119.800 0.040 0.000 2.084 363 Q HA -0.219 4.147 4.340 0.044 0.000 0.202 363 Q C 2.405 178.408 176.000 0.006 0.000 0.978 363 Q CA 1.874 57.694 55.803 0.028 0.000 0.844 363 Q CB -0.455 28.293 28.738 0.016 0.000 0.898 363 Q HN 0.677 nan 8.270 nan 0.000 0.426 364 C N 0.745 120.044 119.300 -0.002 0.000 2.432 364 C HA -0.147 4.340 4.460 0.044 0.000 0.277 364 C C 2.815 177.805 174.990 0.000 0.000 1.249 364 C CA 0.986 59.988 59.018 -0.026 0.000 1.725 364 C CB -0.763 26.971 27.740 -0.010 0.000 2.028 364 C HN 0.491 nan 8.230 nan 0.000 0.477 365 R N -0.025 120.489 120.500 0.024 0.000 2.073 365 R HA -0.110 4.256 4.340 0.044 0.000 0.234 365 R C 2.004 178.325 176.300 0.035 0.000 1.134 365 R CA 2.395 58.514 56.100 0.032 0.000 0.952 365 R CB -0.372 29.952 30.300 0.039 0.000 0.850 365 R HN 0.439 nan 8.270 nan 0.000 0.433 366 V N 1.171 121.108 119.914 0.039 0.000 2.270 366 V HA -0.203 3.943 4.120 0.044 0.000 0.245 366 V C 2.558 178.684 176.094 0.052 0.000 1.043 366 V CA 1.919 64.248 62.300 0.048 0.000 1.014 366 V CB -0.873 30.984 31.823 0.056 0.000 0.645 366 V HN 0.582 nan 8.190 nan 0.000 0.447 367 A N -0.002 122.849 122.820 0.051 0.000 1.883 367 A HA -0.226 4.120 4.320 0.044 0.000 0.217 367 A C 2.183 179.798 177.584 0.051 0.000 1.186 367 A CA 2.288 54.366 52.037 0.069 0.000 0.624 367 A CB -0.642 18.394 19.000 0.059 0.000 0.822 367 A HN 0.460 nan 8.150 nan 0.000 0.444 368 L N -0.246 120.995 121.223 0.030 0.000 2.027 368 L HA -0.092 4.274 4.340 0.044 0.000 0.206 368 L C 2.404 179.307 176.870 0.055 0.000 1.074 368 L CA 2.893 57.756 54.840 0.039 0.000 0.745 368 L CB -1.330 40.748 42.059 0.031 0.000 0.898 368 L HN 0.372 nan 8.230 nan 0.000 0.433 369 T N -0.081 114.503 114.554 0.050 0.000 2.635 369 T HA -0.172 4.204 4.350 0.044 0.000 0.267 369 T C 1.697 176.430 174.700 0.056 0.000 1.040 369 T CA 1.807 63.938 62.100 0.052 0.000 1.156 369 T CB -0.237 68.657 68.868 0.045 0.000 0.863 369 T HN 0.385 nan 8.240 nan 0.000 0.430 370 E N 0.704 120.935 120.200 0.052 0.000 2.152 370 E HA 0.034 4.411 4.350 0.044 0.000 0.192 370 E C 2.199 178.833 176.600 0.056 0.000 0.983 370 E CA 0.303 56.732 56.400 0.049 0.000 0.818 370 E CB -0.555 29.169 29.700 0.040 0.000 0.758 370 E HN 0.323 nan 8.360 nan 0.000 0.467 371 L N 0.839 122.095 121.223 0.055 0.000 2.012 371 L HA -0.155 4.211 4.340 0.044 0.000 0.210 371 L C 2.198 179.147 176.870 0.132 0.000 1.073 371 L CA 1.547 56.423 54.840 0.061 0.000 0.748 371 L CB -0.502 41.562 42.059 0.008 0.000 0.891 371 L HN 0.066 nan 8.230 nan 0.000 0.431 372 L N -0.907 120.393 121.223 0.129 0.000 2.093 372 L HA -0.122 4.244 4.340 0.044 0.000 0.208 372 L C 2.584 179.521 176.870 0.111 0.000 1.085 372 L CA 1.009 55.936 54.840 0.145 0.000 0.755 372 L CB -0.797 41.332 42.059 0.117 0.000 0.904 372 L HN 0.399 nan 8.230 nan 0.000 0.435 373 A N -0.053 122.819 122.820 0.085 0.000 1.968 373 A HA -0.108 4.238 4.320 0.044 0.000 0.217 373 A C 2.313 179.937 177.584 0.068 0.000 1.169 373 A CA 1.189 53.267 52.037 0.067 0.000 0.638 373 A CB -0.156 18.875 19.000 0.052 0.000 0.812 373 A HN 0.348 nan 8.150 nan 0.000 0.446 374 R N -2.733 117.814 120.500 0.079 0.000 2.257 374 R HA 0.185 4.551 4.340 0.044 0.000 0.195 374 R C -0.028 176.333 176.300 0.102 0.000 0.921 374 R CA 0.684 56.828 56.100 0.073 0.000 1.069 374 R CB 0.418 30.751 30.300 0.054 0.000 1.115 374 R HN 0.381 nan 8.270 nan 0.000 0.571 375 C N 1.732 121.124 119.300 0.153 0.000 2.814 375 C HA 0.333 4.819 4.460 0.044 0.000 0.242 375 C C -1.821 173.367 174.990 0.329 0.000 1.704 375 C CA -1.172 57.980 59.018 0.223 0.000 1.608 375 C CB 0.659 28.586 27.740 0.313 0.000 2.939 375 C HN 0.251 nan 8.230 nan 0.000 0.512 376 P HA 0.016 nan 4.420 nan 0.000 0.217 376 P C 0.424 177.826 177.300 0.170 0.000 1.151 376 P CA 1.816 65.058 63.100 0.235 0.000 0.828 376 P CB 0.046 31.822 31.700 0.125 0.000 0.788 377 D N 0.638 121.098 120.400 0.100 0.000 2.468 377 D HA 0.410 5.076 4.640 0.044 0.000 0.218 377 D C -0.347 175.969 176.300 0.027 0.000 1.155 377 D CA -0.672 53.329 54.000 0.003 0.000 0.924 377 D CB -1.277 39.516 40.800 -0.012 0.000 1.029 377 D HN 0.197 nan 8.370 nan 0.000 0.515 378 F N -1.568 118.381 119.950 -0.002 0.000 2.588 378 F HA 0.808 5.362 4.527 0.045 0.000 0.314 378 F C -0.400 175.369 175.800 -0.053 0.000 1.069 378 F CA -1.273 56.651 58.000 -0.125 0.000 0.931 378 F CB 1.907 40.878 39.000 -0.048 0.000 1.260 378 F HN 0.126 nan 8.300 nan 0.000 0.465 379 E N 1.847 122.037 120.200 -0.016 0.000 2.293 379 E HA 0.666 5.042 4.350 0.044 0.000 0.270 379 E C -1.595 174.925 176.600 -0.133 0.000 0.879 379 E CA -1.104 55.187 56.400 -0.181 0.000 0.756 379 E CB 3.254 32.872 29.700 -0.136 0.000 1.208 379 E HN 0.561 nan 8.360 nan 0.000 0.428 380 V N 0.902 120.548 119.914 -0.447 0.000 2.925 380 V HA 0.590 4.736 4.120 0.044 0.000 0.311 380 V C -1.023 174.938 176.094 -0.222 0.000 1.104 380 V CA -0.736 61.467 62.300 -0.162 0.000 0.954 380 V CB 2.033 33.890 31.823 0.056 0.000 1.022 380 V HN 0.782 nan 8.190 nan 0.000 0.427 381 A N 2.324 125.113 122.820 -0.052 0.000 2.267 381 A HA 0.552 4.898 4.320 0.044 0.000 0.315 381 A C 0.804 178.423 177.584 0.058 0.000 1.297 381 A CA -0.441 51.602 52.037 0.011 0.000 0.865 381 A CB 0.330 19.338 19.000 0.014 0.000 1.165 381 A HN 0.925 nan 8.150 nan 0.000 0.513 382 E N 1.671 121.936 120.200 0.110 0.000 2.097 382 E HA -0.243 4.133 4.350 0.044 0.000 0.196 382 E C 1.978 178.666 176.600 0.147 0.000 1.000 382 E CA 1.731 58.226 56.400 0.158 0.000 0.804 382 E CB -0.166 29.652 29.700 0.197 0.000 0.740 382 E HN 0.873 nan 8.360 nan 0.000 0.454 383 S N 0.724 116.491 115.700 0.113 0.000 2.469 383 S HA -0.098 4.398 4.470 0.044 0.000 0.238 383 S C 1.800 176.445 174.600 0.074 0.000 0.998 383 S CA 0.726 58.983 58.200 0.096 0.000 0.957 383 S CB -0.086 63.157 63.200 0.072 0.000 0.764 383 S HN 0.157 nan 8.310 nan 0.000 0.514 384 R N 0.038 120.570 120.500 0.052 0.000 2.362 384 R HA 0.426 4.792 4.340 0.044 0.000 0.227 384 R C -0.117 176.177 176.300 -0.009 0.000 0.905 384 R CA -0.181 55.933 56.100 0.023 0.000 1.067 384 R CB 0.081 30.388 30.300 0.012 0.000 1.078 384 R HN 0.456 nan 8.270 nan 0.000 0.516 385 I N 1.784 122.344 120.570 -0.017 0.000 2.648 385 I HA -0.008 4.188 4.170 0.044 0.000 0.284 385 I C 0.017 176.019 176.117 -0.191 0.000 1.153 385 I CA 0.100 61.301 61.300 -0.166 0.000 1.426 385 I CB 0.889 38.742 38.000 -0.245 0.000 1.381 385 I HN -0.247 nan 8.210 nan 0.000 0.571 386 V N 6.009 125.758 119.914 -0.276 0.000 2.417 386 V HA 0.284 4.430 4.120 0.044 0.000 0.291 386 V C -0.619 175.313 176.094 -0.271 0.000 1.024 386 V CA -0.620 61.593 62.300 -0.144 0.000 0.861 386 V CB 1.263 33.049 31.823 -0.061 0.000 0.985 386 V HN 0.573 nan 8.190 nan 0.000 0.436 387 W N 2.148 123.484 121.300 0.061 0.000 2.438 387 W HA 0.564 5.239 4.660 0.024 0.000 0.324 387 W C 0.925 177.499 176.519 0.091 0.000 1.119 387 W CA -0.154 57.234 57.345 0.071 0.000 1.221 387 W CB 1.521 31.067 29.460 0.143 0.000 1.253 387 W HN 0.558 nan 8.180 nan 0.000 0.555 388 S N 1.704 117.565 115.700 0.269 0.000 2.572 388 S HA 0.405 4.901 4.470 0.044 0.000 0.279 388 S C 0.684 175.483 174.600 0.331 0.000 1.341 388 S CA -0.133 58.195 58.200 0.214 0.000 1.043 388 S CB 0.090 63.370 63.200 0.133 0.000 0.887 388 S HN 0.651 nan 8.310 nan 0.000 0.516 389 G N 1.524 110.470 108.800 0.243 0.000 2.684 389 G HA2 0.511 4.497 3.960 0.044 0.000 0.255 389 G HA3 0.511 4.497 3.960 0.044 0.000 0.255 389 G C 0.442 175.514 174.900 0.285 0.000 1.219 389 G CA -0.007 45.234 45.100 0.235 0.000 0.901 389 G HN 1.660 nan 8.290 nan 0.000 0.548 390 G N -1.769 107.178 108.800 0.246 0.000 2.770 390 G HA2 0.164 4.151 3.960 0.044 0.000 0.686 390 G HA3 0.164 4.151 3.960 0.044 0.000 0.686 390 G C 0.320 175.408 174.900 0.314 0.000 1.180 390 G CA 0.173 45.427 45.100 0.256 0.000 0.767 390 G HN 1.150 nan 8.290 nan 0.000 0.646 391 S N 0.525 116.269 115.700 0.073 0.000 2.556 391 S HA 0.222 4.718 4.470 0.044 0.000 0.216 391 S C 1.200 175.616 174.600 -0.307 0.000 0.970 391 S CA 1.022 59.063 58.200 -0.264 0.000 0.912 391 S CB 0.025 62.872 63.200 -0.587 0.000 0.790 391 S HN 0.573 nan 8.310 nan 0.000 0.504 392 Y N 0.248 120.763 120.300 0.359 0.000 2.607 392 Y HA 0.368 4.933 4.550 0.026 0.000 0.276 392 Y C 0.708 176.749 175.900 0.235 0.000 1.117 392 Y CA -0.204 58.060 58.100 0.275 0.000 1.273 392 Y CB 0.293 38.836 38.460 0.137 0.000 1.282 392 Y HN -0.041 nan 8.280 nan 0.000 0.514 393 V N 1.964 122.044 119.914 0.278 0.000 2.435 393 V HA 0.388 4.534 4.120 0.044 0.000 0.290 393 V C -0.350 175.540 176.094 -0.340 0.000 1.030 393 V CA -1.065 61.251 62.300 0.027 0.000 0.881 393 V CB 1.739 33.600 31.823 0.063 0.000 0.983 393 V HN 0.103 nan 8.190 nan 0.000 0.445 394 R N 5.048 125.154 120.500 -0.656 0.000 2.239 394 R HA 0.669 5.035 4.340 0.044 0.000 0.332 394 R C -0.526 175.585 176.300 -0.315 0.000 0.988 394 R CA -0.624 54.767 56.100 -1.181 0.000 0.859 394 R CB 0.558 30.004 30.300 -1.422 0.000 1.148 394 R HN 0.900 nan 8.270 nan 0.000 0.482 395 R N 3.333 123.786 120.500 -0.077 0.000 2.626 395 R HA 0.538 4.905 4.340 0.044 0.000 0.274 395 R C -2.995 173.334 176.300 0.049 0.000 1.031 395 R CA -2.081 54.067 56.100 0.080 0.000 0.898 395 R CB 1.474 31.768 30.300 -0.009 0.000 1.222 395 R HN 0.302 nan 8.270 nan 0.000 0.455 396 P HA 0.133 nan 4.420 nan 0.000 0.279 396 P C 0.065 177.232 177.300 -0.221 0.000 1.239 396 P CA -0.537 62.243 63.100 -0.532 0.000 0.789 396 P CB 1.087 32.333 31.700 -0.758 0.000 0.933 397 L N 0.852 121.968 121.223 -0.179 0.000 2.270 397 L HA 0.067 4.433 4.340 0.044 0.000 0.210 397 L C 1.296 178.102 176.870 -0.107 0.000 1.104 397 L CA 1.181 55.965 54.840 -0.093 0.000 0.804 397 L CB -0.095 41.938 42.059 -0.044 0.000 0.937 397 L HN 0.455 nan 8.230 nan 0.000 0.450 398 S N -0.713 114.888 115.700 -0.165 0.000 2.572 398 S HA 0.542 5.038 4.470 0.044 0.000 0.274 398 S C -1.064 173.428 174.600 -0.179 0.000 1.150 398 S CA -0.509 57.609 58.200 -0.136 0.000 0.944 398 S CB 1.993 65.137 63.200 -0.094 0.000 1.071 398 S HN -0.191 nan 8.310 nan 0.000 0.479 399 V N 6.241 126.077 119.914 -0.130 0.000 2.443 399 V HA 0.413 4.559 4.120 0.044 0.000 0.272 399 V C -2.554 173.519 176.094 -0.035 0.000 1.002 399 V CA -1.691 60.550 62.300 -0.098 0.000 0.840 399 V CB 1.405 33.180 31.823 -0.080 0.000 1.042 399 V HN 0.705 nan 8.190 nan 0.000 0.446 400 P HA 0.156 nan 4.420 nan 0.000 0.265 400 P C -0.969 176.403 177.300 0.119 0.000 1.193 400 P CA 0.251 63.370 63.100 0.032 0.000 0.765 400 P CB 0.233 31.937 31.700 0.006 0.000 0.823 401 F N 2.495 122.401 119.950 -0.074 0.000 2.562 401 F HA 0.669 5.225 4.527 0.049 0.000 0.319 401 F C -0.363 175.418 175.800 -0.032 0.000 1.154 401 F CA -0.536 57.428 58.000 -0.061 0.000 0.931 401 F CB 1.154 40.077 39.000 -0.129 0.000 1.198 401 F HN 0.195 nan 8.300 nan 0.000 0.444 402 R N 4.155 124.375 120.500 -0.467 0.000 2.637 402 R HA 0.939 5.305 4.340 0.044 0.000 0.291 402 R C -1.614 174.345 176.300 -0.569 0.000 0.963 402 R CA -0.070 55.791 56.100 -0.397 0.000 0.901 402 R CB 0.956 31.142 30.300 -0.189 0.000 1.160 402 R HN 0.963 nan 8.270 nan 0.000 0.457 403 V N 0.000 119.665 119.914 -0.415 0.000 2.409 403 V HA 0.000 4.146 4.120 0.044 0.000 0.244 403 V CA 0.000 62.138 62.300 -0.271 0.000 1.235 403 V CB 0.000 31.690 31.823 -0.222 0.000 1.184 403 V HN 0.000 nan 8.190 nan 0.000 0.556