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 3iyf_1_G DATA FIRST_RESID 7 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVITN DATA SEQUENCE IKDLSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.083 176.094 -0.018 0.000 1.182 7 V CA 0.000 62.291 62.300 -0.014 0.000 1.235 7 V CB 0.000 31.814 31.823 -0.014 0.000 1.184 8 L N -0.927 120.284 121.223 -0.020 0.000 3.042 8 L HA 0.532 4.872 4.340 0.001 0.000 0.227 8 L C -2.676 174.179 176.870 -0.026 0.000 1.134 8 L CA -0.388 54.437 54.840 -0.026 0.000 1.128 8 L CB -0.893 41.146 42.059 -0.033 0.000 1.318 8 L HN 0.145 nan 8.230 nan 0.000 0.665 9 P HA 0.334 nan 4.420 nan 0.000 0.269 9 P C -0.612 176.676 177.300 -0.019 0.000 1.285 9 P CA -0.219 62.870 63.100 -0.019 0.000 0.777 9 P CB 0.415 32.107 31.700 -0.014 0.000 1.938 10 E N 2.049 122.240 120.200 -0.015 0.000 2.606 10 E HA -0.097 4.254 4.350 0.001 0.000 0.248 10 E C 0.464 177.056 176.600 -0.013 0.000 1.005 10 E CA 0.534 56.928 56.400 -0.011 0.000 0.946 10 E CB -0.311 29.384 29.700 -0.009 0.000 0.928 10 E HN 0.392 nan 8.360 nan 0.000 0.494 11 N N 2.502 121.195 118.700 -0.011 0.000 2.379 11 N HA -0.354 4.386 4.740 0.001 0.000 0.230 11 N C 0.485 175.980 175.510 -0.025 0.000 0.733 11 N CA 1.861 54.904 53.050 -0.011 0.000 2.635 11 N CB -1.697 36.788 38.487 -0.002 0.000 0.833 11 N HN 0.506 nan 8.380 nan 0.000 0.498 12 M N 1.821 121.400 119.600 -0.035 0.000 2.734 12 M HA 0.188 4.669 4.480 0.001 0.000 0.356 12 M C 0.105 176.353 176.300 -0.086 0.000 1.790 12 M CA 0.809 56.075 55.300 -0.057 0.000 1.231 12 M CB -0.126 32.446 32.600 -0.048 0.000 2.102 12 M HN 0.005 nan 8.290 nan 0.000 0.463 13 K N 3.353 123.675 120.400 -0.130 0.000 2.380 13 K HA 0.164 4.485 4.320 0.001 0.000 0.267 13 K C 0.082 176.476 176.600 -0.343 0.000 0.990 13 K CA 0.139 56.290 56.287 -0.227 0.000 0.946 13 K CB 0.579 32.917 32.500 -0.270 0.000 0.937 13 K HN 0.723 nan 8.250 nan 0.000 0.491 14 R N 2.573 122.805 120.500 -0.448 0.000 2.473 14 R HA 0.232 4.572 4.340 0.001 0.000 0.303 14 R C -1.771 174.337 176.300 -0.320 0.000 1.002 14 R CA -0.535 55.372 56.100 -0.320 0.000 0.884 14 R CB 0.630 30.841 30.300 -0.149 0.000 1.173 14 R HN 0.563 nan 8.270 nan 0.000 0.464 15 Y N 5.547 125.837 120.300 -0.017 0.000 2.361 15 Y HA 0.450 5.000 4.550 0.000 0.000 0.337 15 Y C 0.146 176.035 175.900 -0.019 0.000 0.965 15 Y CA -1.120 56.969 58.100 -0.017 0.000 1.091 15 Y CB 2.227 40.673 38.460 -0.023 0.000 1.182 15 Y HN 0.466 nan 8.280 nan 0.000 0.450 16 M N 1.159 120.857 119.600 0.164 0.000 2.631 16 M HA 0.955 5.435 4.480 0.001 0.000 0.288 16 M C 0.284 176.622 176.300 0.062 0.000 1.260 16 M CA -0.493 54.855 55.300 0.080 0.000 0.842 16 M CB 2.145 34.780 32.600 0.058 0.000 1.743 16 M HN 0.776 nan 8.290 nan 0.000 0.461 17 G N 1.122 109.946 108.800 0.040 0.000 2.539 17 G HA2 -0.272 3.688 3.960 0.001 0.000 0.256 17 G HA3 -0.272 3.688 3.960 0.001 0.000 0.256 17 G C 0.367 175.274 174.900 0.012 0.000 1.233 17 G CA 0.661 45.779 45.100 0.029 0.000 0.936 17 G HN 1.143 nan 8.290 nan 0.000 0.571 18 R N 0.436 120.939 120.500 0.005 0.000 2.096 18 R HA -0.165 4.175 4.340 0.001 0.000 0.240 18 R C 2.234 178.510 176.300 -0.040 0.000 1.139 18 R CA 2.827 58.918 56.100 -0.015 0.000 0.952 18 R CB -0.926 29.367 30.300 -0.011 0.000 0.854 18 R HN 0.635 nan 8.270 nan 0.000 0.436 19 D N 0.288 120.664 120.400 -0.039 0.000 2.204 19 D HA -0.245 4.395 4.640 0.001 0.000 0.189 19 D C 1.746 177.943 176.300 -0.172 0.000 1.006 19 D CA 2.182 56.116 54.000 -0.110 0.000 0.855 19 D CB -0.522 40.311 40.800 0.054 0.000 0.946 19 D HN 0.457 nan 8.370 nan 0.000 0.448 20 A N 0.589 123.393 122.820 -0.028 0.000 1.825 20 A HA -0.258 4.062 4.320 0.001 0.000 0.214 20 A C 2.101 179.658 177.584 -0.045 0.000 1.206 20 A CA 2.216 54.250 52.037 -0.005 0.000 0.609 20 A CB -1.017 18.014 19.000 0.052 0.000 0.851 20 A HN 0.302 nan 8.150 nan 0.000 0.445 21 Q N -0.773 119.008 119.800 -0.031 0.000 2.129 21 Q HA -0.361 3.980 4.340 0.001 0.000 0.218 21 Q C 2.289 178.263 176.000 -0.042 0.000 1.040 21 Q CA 2.623 58.405 55.803 -0.035 0.000 0.913 21 Q CB -0.506 28.213 28.738 -0.032 0.000 1.030 21 Q HN 0.760 nan 8.270 nan 0.000 0.419 22 R N 0.480 120.943 120.500 -0.060 0.000 2.092 22 R HA -0.106 4.235 4.340 0.001 0.000 0.231 22 R C 2.242 178.508 176.300 -0.057 0.000 1.119 22 R CA 1.458 57.523 56.100 -0.059 0.000 0.970 22 R CB -0.192 30.059 30.300 -0.081 0.000 0.864 22 R HN 0.291 nan 8.270 nan 0.000 0.440 23 M N 0.918 120.465 119.600 -0.087 0.000 2.088 23 M HA -0.249 4.232 4.480 0.001 0.000 0.256 23 M C 1.734 178.050 176.300 0.026 0.000 1.071 23 M CA 2.456 57.730 55.300 -0.043 0.000 1.097 23 M CB -0.635 31.905 32.600 -0.099 0.000 1.315 23 M HN 0.360 nan 8.290 nan 0.000 0.406 24 N N -0.162 118.527 118.700 -0.018 0.000 2.416 24 N HA -0.023 4.717 4.740 0.001 0.000 0.177 24 N C 1.611 177.126 175.510 0.009 0.000 1.036 24 N CA 0.212 53.259 53.050 -0.004 0.000 0.901 24 N CB 0.164 38.636 38.487 -0.025 0.000 0.976 24 N HN 0.173 nan 8.380 nan 0.000 0.444 25 I N 1.676 122.244 120.570 -0.003 0.000 2.053 25 I HA -0.301 3.870 4.170 0.001 0.000 0.236 25 I C 2.190 178.311 176.117 0.007 0.000 1.038 25 I CA 1.564 62.861 61.300 -0.004 0.000 1.304 25 I CB -1.188 36.803 38.000 -0.014 0.000 1.023 25 I HN 0.251 nan 8.210 nan 0.000 0.395 26 L N 0.036 121.266 121.223 0.011 0.000 2.217 26 L HA -0.102 4.238 4.340 0.001 0.000 0.211 26 L C 2.484 179.370 176.870 0.028 0.000 1.107 26 L CA 1.010 55.857 54.840 0.012 0.000 0.783 26 L CB -0.294 41.770 42.059 0.008 0.000 0.919 26 L HN 0.238 nan 8.230 nan 0.000 0.442 27 A N -0.826 122.032 122.820 0.062 0.000 2.072 27 A HA 0.065 4.385 4.320 0.001 0.000 0.216 27 A C 2.167 179.777 177.584 0.044 0.000 1.156 27 A CA 1.085 53.166 52.037 0.074 0.000 0.701 27 A CB -0.467 18.642 19.000 0.183 0.000 0.816 27 A HN 0.427 nan 8.150 nan 0.000 0.458 28 G N -0.405 108.415 108.800 0.032 0.000 2.447 28 G HA2 -0.054 3.907 3.960 0.001 0.000 0.211 28 G HA3 -0.054 3.907 3.960 0.001 0.000 0.211 28 G C 1.694 176.599 174.900 0.008 0.000 1.184 28 G CA 0.469 45.580 45.100 0.020 0.000 0.813 28 G HN 0.462 nan 8.290 nan 0.000 0.540 29 R N 0.164 120.666 120.500 0.004 0.000 2.081 29 R HA 0.030 4.371 4.340 0.001 0.000 0.235 29 R C 2.559 178.855 176.300 -0.005 0.000 1.131 29 R CA 1.122 57.219 56.100 -0.003 0.000 0.960 29 R CB -0.481 29.815 30.300 -0.005 0.000 0.856 29 R HN 0.394 nan 8.270 nan 0.000 0.436 30 I N 1.675 122.243 120.570 -0.004 0.000 2.091 30 I HA -0.362 3.808 4.170 0.001 0.000 0.240 30 I C 2.289 178.401 176.117 -0.009 0.000 1.046 30 I CA 1.492 62.787 61.300 -0.008 0.000 1.306 30 I CB -0.761 37.233 38.000 -0.011 0.000 1.018 30 I HN 0.189 nan 8.210 nan 0.000 0.404 31 I N 0.532 121.099 120.570 -0.005 0.000 2.530 31 I HA -0.218 3.952 4.170 0.001 0.000 0.257 31 I C 2.517 178.630 176.117 -0.007 0.000 1.179 31 I CA 1.883 63.181 61.300 -0.004 0.000 1.440 31 I CB -1.804 36.193 38.000 -0.004 0.000 1.087 31 I HN 0.237 nan 8.210 nan 0.000 0.440 32 A N 1.893 124.708 122.820 -0.008 0.000 1.862 32 A HA -0.063 4.258 4.320 0.001 0.000 0.211 32 A C 2.184 179.759 177.584 -0.015 0.000 1.220 32 A CA 0.794 52.824 52.037 -0.012 0.000 0.616 32 A CB -0.619 18.373 19.000 -0.014 0.000 0.878 32 A HN 0.446 nan 8.150 nan 0.000 0.453 33 E N 0.047 120.238 120.200 -0.014 0.000 2.164 33 E HA -0.244 4.106 4.350 0.001 0.000 0.206 33 E C 1.862 178.453 176.600 -0.015 0.000 1.032 33 E CA 1.832 58.223 56.400 -0.015 0.000 0.832 33 E CB -0.870 28.821 29.700 -0.014 0.000 0.742 33 E HN 0.577 nan 8.360 nan 0.000 0.460 34 T N 1.280 115.825 114.554 -0.014 0.000 2.469 34 T HA -0.196 4.154 4.350 0.001 0.000 0.254 34 T C 1.733 176.425 174.700 -0.014 0.000 1.214 34 T CA 2.214 64.306 62.100 -0.013 0.000 1.202 34 T CB -0.430 68.431 68.868 -0.012 0.000 0.864 34 T HN 0.241 nan 8.240 nan 0.000 0.408 35 V N 1.814 121.719 119.914 -0.014 0.000 3.272 35 V HA 0.362 4.482 4.120 0.001 0.000 0.361 35 V C 1.284 177.367 176.094 -0.018 0.000 1.288 35 V CA -0.251 62.041 62.300 -0.015 0.000 1.315 35 V CB -1.434 30.381 31.823 -0.013 0.000 1.235 35 V HN 0.354 nan 8.190 nan 0.000 0.465 36 R N 0.805 121.294 120.500 -0.019 0.000 0.820 36 R HA 0.092 4.432 4.340 0.001 0.000 0.062 36 R C 1.699 177.984 176.300 -0.025 0.000 0.487 36 R CA 1.280 57.366 56.100 -0.022 0.000 2.109 36 R CB -0.825 29.462 30.300 -0.022 0.000 0.493 36 R HN 0.286 nan 8.270 nan 0.000 0.791 37 S N -1.794 113.890 115.700 -0.025 0.000 1.832 37 S HA -0.283 4.187 4.470 0.001 0.000 0.231 37 S C 1.327 175.913 174.600 -0.023 0.000 0.901 37 S CA 2.266 60.453 58.200 -0.023 0.000 1.687 37 S CB -2.138 61.050 63.200 -0.020 0.000 1.858 37 S HN 0.858 nan 8.310 nan 0.000 0.523 38 T N 0.945 115.486 114.554 -0.022 0.000 3.067 38 T HA 0.308 4.659 4.350 0.001 0.000 0.257 38 T C 0.681 175.367 174.700 -0.022 0.000 1.105 38 T CA 0.311 62.399 62.100 -0.021 0.000 1.104 38 T CB -0.123 68.734 68.868 -0.018 0.000 0.925 38 T HN 0.446 nan 8.240 nan 0.000 0.498 39 L N 3.137 124.345 121.223 -0.025 0.000 2.540 39 L HA 0.410 4.750 4.340 0.001 0.000 0.276 39 L C 1.121 177.972 176.870 -0.032 0.000 1.212 39 L CA 1.474 56.298 54.840 -0.027 0.000 0.893 39 L CB -1.056 40.989 42.059 -0.023 0.000 1.138 39 L HN 0.701 nan 8.230 nan 0.000 0.491 40 G N 6.657 115.437 108.800 -0.032 0.000 2.575 40 G HA2 -0.251 3.710 3.960 0.001 0.000 0.267 40 G HA3 -0.251 3.710 3.960 0.001 0.000 0.267 40 G C -1.650 173.222 174.900 -0.045 0.000 1.264 40 G CA 0.094 45.170 45.100 -0.040 0.000 0.935 40 G HN 0.637 nan 8.290 nan 0.000 0.568 41 P HA -0.012 nan 4.420 nan 0.000 0.231 41 P C 1.857 179.108 177.300 -0.081 0.000 1.168 41 P CA 1.589 64.633 63.100 -0.092 0.000 0.779 41 P CB -0.092 31.488 31.700 -0.200 0.000 0.844 42 K N 0.898 121.251 120.400 -0.078 0.000 2.023 42 K HA -0.169 4.152 4.320 0.001 0.000 0.227 42 K C 1.230 177.810 176.600 -0.035 0.000 1.054 42 K CA 1.955 58.210 56.287 -0.053 0.000 0.977 42 K CB -2.154 30.313 32.500 -0.054 0.000 0.733 42 K HN 0.128 nan 8.250 nan 0.000 0.451 43 G N 1.273 110.056 108.800 -0.029 0.000 2.448 43 G HA2 0.468 4.428 3.960 0.001 0.000 0.285 43 G HA3 0.468 4.428 3.960 0.001 0.000 0.285 43 G C -0.497 174.391 174.900 -0.019 0.000 1.176 43 G CA -0.691 44.395 45.100 -0.024 0.000 0.852 43 G HN 0.117 nan 8.290 nan 0.000 0.530 44 M N 1.269 120.858 119.600 -0.018 0.000 2.404 44 M HA 0.305 4.785 4.480 0.001 0.000 0.338 44 M C -0.028 176.262 176.300 -0.016 0.000 1.150 44 M CA -1.320 53.971 55.300 -0.015 0.000 1.016 44 M CB 1.413 34.005 32.600 -0.015 0.000 1.672 44 M HN 0.452 nan 8.290 nan 0.000 0.448 45 D N 2.210 122.600 120.400 -0.016 0.000 2.278 45 D HA 0.160 4.801 4.640 0.001 0.000 0.234 45 D C -0.426 175.864 176.300 -0.015 0.000 1.344 45 D CA 0.801 54.791 54.000 -0.018 0.000 0.892 45 D CB 0.455 41.244 40.800 -0.019 0.000 1.204 45 D HN 0.311 nan 8.370 nan 0.000 0.489 46 K N -0.359 120.032 120.400 -0.015 0.000 2.575 46 K HA 0.248 4.568 4.320 0.001 0.000 0.255 46 K C -1.144 175.448 176.600 -0.012 0.000 0.953 46 K CA -0.377 55.903 56.287 -0.013 0.000 0.840 46 K CB 1.897 34.390 32.500 -0.012 0.000 1.303 46 K HN 0.314 nan 8.250 nan 0.000 0.438 47 M N 5.959 125.552 119.600 -0.011 0.000 2.055 47 M HA 0.338 4.818 4.480 0.001 0.000 0.346 47 M C -1.351 174.944 176.300 -0.008 0.000 1.074 47 M CA -0.647 54.647 55.300 -0.010 0.000 1.009 47 M CB 0.332 32.927 32.600 -0.009 0.000 1.423 47 M HN 0.525 nan 8.290 nan 0.000 0.410 48 L N 4.796 126.015 121.223 -0.007 0.000 2.418 48 L HA 0.644 4.984 4.340 0.001 0.000 0.265 48 L C -0.580 176.287 176.870 -0.005 0.000 1.143 48 L CA -0.675 54.161 54.840 -0.006 0.000 0.809 48 L CB 1.479 43.535 42.059 -0.005 0.000 1.124 48 L HN 0.469 nan 8.230 nan 0.000 0.456 49 V N -0.093 119.818 119.914 -0.005 0.000 3.012 49 V HA 0.385 4.505 4.120 0.001 0.000 0.307 49 V C -0.968 175.124 176.094 -0.003 0.000 1.166 49 V CA -0.930 61.368 62.300 -0.004 0.000 0.974 49 V CB 2.221 34.041 31.823 -0.004 0.000 1.040 49 V HN 0.837 nan 8.190 nan 0.000 0.428 50 D N 0.708 121.107 120.400 -0.002 0.000 2.414 50 D HA 0.307 4.947 4.640 0.001 0.000 0.241 50 D C 0.548 176.847 176.300 -0.001 0.000 1.008 50 D CA -0.407 53.592 54.000 -0.002 0.000 1.001 50 D CB 1.379 42.178 40.800 -0.001 0.000 1.277 50 D HN 0.447 nan 8.370 nan 0.000 0.538 51 D N 0.511 120.911 120.400 -0.001 0.000 5.151 51 D HA -0.294 4.347 4.640 0.001 0.000 0.243 51 D C 1.946 178.246 176.300 0.000 0.000 1.563 51 D CA 2.105 56.105 54.000 -0.000 0.000 0.858 51 D CB -0.697 40.103 40.800 0.000 0.000 0.880 51 D HN 0.467 nan 8.370 nan 0.000 0.721 52 L N -0.886 120.337 121.223 0.001 0.000 2.217 52 L HA 0.117 4.458 4.340 0.001 0.000 0.211 52 L C 2.251 179.122 176.870 0.001 0.000 1.107 52 L CA 0.961 55.802 54.840 0.001 0.000 0.783 52 L CB -0.445 41.615 42.059 0.002 0.000 0.919 52 L HN 0.395 nan 8.230 nan 0.000 0.442 53 G N -0.920 107.880 108.800 0.000 0.000 2.199 53 G HA2 -0.292 3.669 3.960 0.001 0.000 0.254 53 G HA3 -0.292 3.669 3.960 0.001 0.000 0.254 53 G C 0.225 175.125 174.900 0.000 0.000 0.982 53 G CA 0.156 45.256 45.100 -0.000 0.000 0.632 53 G HN 0.343 nan 8.290 nan 0.000 0.529 54 D N 0.619 121.019 120.400 0.001 0.000 2.973 54 D HA 0.190 4.830 4.640 0.001 0.000 0.214 54 D C 0.847 177.148 176.300 0.001 0.000 1.079 54 D CA 1.537 55.538 54.000 0.002 0.000 0.797 54 D CB 0.712 41.514 40.800 0.003 0.000 1.168 54 D HN 1.216 nan 8.370 nan 0.000 0.515 55 V N 1.973 121.888 119.914 0.001 0.000 2.444 55 V HA 0.600 4.720 4.120 0.001 0.000 0.294 55 V C -0.154 175.939 176.094 -0.000 0.000 1.022 55 V CA -0.993 61.307 62.300 -0.000 0.000 0.850 55 V CB 1.635 33.457 31.823 -0.001 0.000 0.992 55 V HN 0.334 nan 8.190 nan 0.000 0.426 56 V N 3.738 123.651 119.914 -0.002 0.000 2.409 56 V HA 0.786 4.906 4.120 0.001 0.000 0.290 56 V C -0.383 175.707 176.094 -0.007 0.000 1.017 56 V CA -0.453 61.846 62.300 -0.002 0.000 0.841 56 V CB 1.418 33.241 31.823 -0.000 0.000 1.003 56 V HN 0.802 nan 8.190 nan 0.000 0.426 57 V N 5.355 125.262 119.914 -0.011 0.000 2.406 57 V HA 0.833 4.953 4.120 0.001 0.000 0.272 57 V C 0.501 176.584 176.094 -0.020 0.000 1.043 57 V CA 0.401 62.691 62.300 -0.017 0.000 0.915 57 V CB 0.743 32.552 31.823 -0.024 0.000 0.988 57 V HN 1.190 nan 8.190 nan 0.000 0.466 58 T N 0.111 114.654 114.554 -0.018 0.000 3.047 58 T HA 0.305 4.655 4.350 0.001 0.000 0.340 58 T C 0.114 174.805 174.700 -0.015 0.000 1.421 58 T CA -0.697 61.393 62.100 -0.017 0.000 1.090 58 T CB 1.784 70.646 68.868 -0.010 0.000 1.292 58 T HN 0.435 nan 8.240 nan 0.000 0.480 59 N N 0.071 118.761 118.700 -0.016 0.000 2.414 59 N HA 0.020 4.760 4.740 0.001 0.000 0.177 59 N C -0.630 174.872 175.510 -0.012 0.000 1.062 59 N CA 0.108 53.149 53.050 -0.015 0.000 0.890 59 N CB 0.380 38.857 38.487 -0.016 0.000 1.070 59 N HN 0.635 nan 8.380 nan 0.000 0.454 60 D N 0.043 120.438 120.400 -0.010 0.000 2.346 60 D HA 0.182 4.822 4.640 0.001 0.000 0.260 60 D C 1.252 177.549 176.300 -0.006 0.000 1.252 60 D CA 0.034 54.030 54.000 -0.006 0.000 0.895 60 D CB 1.163 41.961 40.800 -0.003 0.000 1.097 60 D HN 0.273 nan 8.370 nan 0.000 0.489 61 G N 2.520 111.316 108.800 -0.006 0.000 2.553 61 G HA2 -0.282 3.679 3.960 0.001 0.000 0.218 61 G HA3 -0.282 3.679 3.960 0.001 0.000 0.218 61 G C 1.610 176.508 174.900 -0.004 0.000 1.195 61 G CA 0.919 46.015 45.100 -0.006 0.000 0.779 61 G HN 0.470 nan 8.290 nan 0.000 0.577 62 V N 0.685 120.599 119.914 -0.002 0.000 2.227 62 V HA -0.292 3.828 4.120 0.001 0.000 0.249 62 V C 2.810 178.904 176.094 0.001 0.000 1.046 62 V CA 3.615 65.915 62.300 0.000 0.000 1.015 62 V CB -1.179 30.645 31.823 0.002 0.000 0.648 62 V HN 0.493 nan 8.190 nan 0.000 0.460 63 T N 0.080 114.635 114.554 0.001 0.000 2.654 63 T HA -0.364 3.986 4.350 0.001 0.000 0.251 63 T C 1.597 176.297 174.700 -0.000 0.000 1.163 63 T CA 2.955 65.056 62.100 0.001 0.000 1.136 63 T CB -0.590 68.279 68.868 0.002 0.000 0.839 63 T HN 0.555 nan 8.240 nan 0.000 0.466 64 I N -0.111 120.458 120.570 -0.002 0.000 2.617 64 I HA -0.034 4.137 4.170 0.001 0.000 0.256 64 I C 0.954 177.069 176.117 -0.003 0.000 1.167 64 I CA 0.688 61.985 61.300 -0.004 0.000 1.469 64 I CB 0.158 38.154 38.000 -0.006 0.000 1.098 64 I HN 0.195 nan 8.210 nan 0.000 0.436 65 L N 0.064 121.286 121.223 -0.002 0.000 2.700 65 L HA 0.158 4.498 4.340 0.001 0.000 0.234 65 L C 1.888 178.759 176.870 0.002 0.000 1.156 65 L CA 0.705 55.545 54.840 -0.000 0.000 0.946 65 L CB -0.900 41.159 42.059 0.000 0.000 1.216 65 L HN 0.223 nan 8.230 nan 0.000 0.493 66 R N -0.161 120.340 120.500 0.002 0.000 2.123 66 R HA 0.046 4.387 4.340 0.001 0.000 0.209 66 R C 1.726 178.028 176.300 0.003 0.000 1.078 66 R CA 0.486 56.588 56.100 0.003 0.000 1.028 66 R CB 0.429 30.731 30.300 0.003 0.000 0.939 66 R HN 0.033 nan 8.270 nan 0.000 0.463 67 E N 0.542 120.743 120.200 0.001 0.000 2.072 67 E HA -0.115 4.235 4.350 0.001 0.000 0.190 67 E C 0.158 176.757 176.600 -0.001 0.000 0.982 67 E CA 0.801 57.201 56.400 0.001 0.000 0.803 67 E CB -0.077 29.623 29.700 -0.000 0.000 0.755 67 E HN 0.201 nan 8.360 nan 0.000 0.453 68 M N 1.591 121.189 119.600 -0.002 0.000 2.383 68 M HA 0.012 4.492 4.480 0.001 0.000 0.337 68 M C 0.391 176.688 176.300 -0.004 0.000 1.422 68 M CA -0.176 55.121 55.300 -0.005 0.000 1.333 68 M CB 0.361 32.956 32.600 -0.007 0.000 1.488 68 M HN -0.172 nan 8.290 nan 0.000 0.454 69 S N 3.920 119.618 115.700 -0.004 0.000 3.306 69 S HA -0.059 4.411 4.470 0.001 0.000 0.195 69 S C 0.464 175.061 174.600 -0.005 0.000 0.725 69 S CA 0.320 58.519 58.200 -0.003 0.000 1.375 69 S CB -1.485 61.716 63.200 0.000 0.000 1.147 69 S HN 0.932 nan 8.310 nan 0.000 0.466 70 V N 1.728 121.639 119.914 -0.005 0.000 3.202 70 V HA -0.291 3.830 4.120 0.001 0.000 0.242 70 V C 0.983 177.073 176.094 -0.007 0.000 1.933 70 V CA 1.498 63.796 62.300 -0.004 0.000 1.763 70 V CB -0.418 31.411 31.823 0.010 0.000 0.860 70 V HN 0.967 nan 8.190 nan 0.000 0.435 71 E N 5.476 125.655 120.200 -0.035 0.000 2.546 71 E HA 0.105 4.455 4.350 0.001 0.000 0.307 71 E C 0.559 177.151 176.600 -0.013 0.000 0.688 71 E CA 0.724 57.062 56.400 -0.103 0.000 1.855 71 E CB -0.490 29.149 29.700 -0.102 0.000 1.494 71 E HN 1.092 nan 8.360 nan 0.000 0.550 72 H N 0.637 119.715 119.070 0.015 0.000 2.343 72 H HA -0.112 4.445 4.556 0.001 0.000 0.285 72 H C -2.117 173.220 175.328 0.015 0.000 0.784 72 H CA -0.185 55.871 56.048 0.014 0.000 0.935 72 H CB -0.796 28.975 29.762 0.015 0.000 1.522 72 H HN 0.320 nan 8.280 nan 0.000 0.276 73 P HA -0.151 nan 4.420 nan 0.000 0.217 73 P C 1.608 178.938 177.300 0.050 0.000 1.154 73 P CA 1.876 65.019 63.100 0.070 0.000 0.841 73 P CB 0.119 31.826 31.700 0.012 0.000 0.788 74 A N 0.346 123.183 122.820 0.028 0.000 1.940 74 A HA -0.184 4.136 4.320 0.001 0.000 0.219 74 A C 2.278 179.895 177.584 0.055 0.000 1.176 74 A CA 2.099 54.152 52.037 0.027 0.000 0.631 74 A CB -1.716 17.290 19.000 0.010 0.000 0.814 74 A HN 0.166 nan 8.150 nan 0.000 0.446 75 A N 0.258 123.138 122.820 0.101 0.000 2.009 75 A HA -0.255 4.065 4.320 0.001 0.000 0.222 75 A C 1.896 179.513 177.584 0.055 0.000 1.175 75 A CA 2.294 54.384 52.037 0.088 0.000 0.651 75 A CB -0.438 18.628 19.000 0.109 0.000 0.815 75 A HN 0.673 nan 8.150 nan 0.000 0.459 76 K N -0.776 119.658 120.400 0.058 0.000 2.353 76 K HA 0.324 4.645 4.320 0.001 0.000 0.195 76 K C 1.281 177.898 176.600 0.029 0.000 1.031 76 K CA 0.438 56.749 56.287 0.041 0.000 1.079 76 K CB 0.089 32.612 32.500 0.039 0.000 0.857 76 K HN 0.451 nan 8.250 nan 0.000 0.535 77 M N 0.182 119.798 119.600 0.027 0.000 2.619 77 M HA 0.101 4.582 4.480 0.001 0.000 0.251 77 M C 1.210 177.522 176.300 0.020 0.000 1.106 77 M CA 1.061 56.373 55.300 0.021 0.000 1.086 77 M CB -0.096 32.515 32.600 0.017 0.000 1.465 77 M HN 0.144 nan 8.290 nan 0.000 0.506 78 L N -0.299 120.937 121.223 0.022 0.000 2.731 78 L HA 0.171 4.511 4.340 0.001 0.000 0.240 78 L C 1.916 178.794 176.870 0.014 0.000 1.120 78 L CA -0.056 54.794 54.840 0.018 0.000 0.913 78 L CB 0.345 42.416 42.059 0.020 0.000 1.213 78 L HN 0.123 nan 8.230 nan 0.000 0.515 79 I N -0.138 120.440 120.570 0.014 0.000 2.353 79 I HA -0.218 3.953 4.170 0.001 0.000 0.248 79 I C 1.884 178.007 176.117 0.010 0.000 1.119 79 I CA 1.723 63.030 61.300 0.011 0.000 1.417 79 I CB 0.147 38.153 38.000 0.011 0.000 1.078 79 I HN 0.222 nan 8.210 nan 0.000 0.421 80 E N -0.163 120.044 120.200 0.012 0.000 2.418 80 E HA -0.103 4.248 4.350 0.001 0.000 0.197 80 E C 1.885 178.492 176.600 0.012 0.000 1.026 80 E CA 1.142 57.549 56.400 0.012 0.000 0.862 80 E CB -0.018 29.690 29.700 0.013 0.000 0.799 80 E HN 0.485 nan 8.360 nan 0.000 0.518 81 V N -0.265 119.656 119.914 0.012 0.000 3.307 81 V HA 0.155 4.276 4.120 0.001 0.000 0.253 81 V C 1.969 178.068 176.094 0.010 0.000 1.149 81 V CA 0.988 63.295 62.300 0.013 0.000 1.112 81 V CB 0.158 31.990 31.823 0.016 0.000 0.777 81 V HN 0.272 nan 8.190 nan 0.000 0.464 82 A N 0.181 123.005 122.820 0.007 0.000 1.975 82 A HA -0.019 4.302 4.320 0.001 0.000 0.215 82 A C 2.274 179.861 177.584 0.005 0.000 1.170 82 A CA 1.309 53.349 52.037 0.004 0.000 0.656 82 A CB -0.247 18.754 19.000 0.002 0.000 0.821 82 A HN 0.379 nan 8.150 nan 0.000 0.449 83 K N -0.491 119.913 120.400 0.006 0.000 2.057 83 K HA -0.111 4.209 4.320 0.001 0.000 0.206 83 K C 1.753 178.357 176.600 0.006 0.000 1.050 83 K CA 1.832 58.123 56.287 0.006 0.000 0.935 83 K CB -0.152 32.352 32.500 0.007 0.000 0.715 83 K HN 0.438 nan 8.250 nan 0.000 0.439 84 T N 0.550 115.108 114.554 0.007 0.000 2.894 84 T HA -0.089 4.261 4.350 0.001 0.000 0.258 84 T C 1.619 176.322 174.700 0.007 0.000 1.043 84 T CA 0.753 62.858 62.100 0.007 0.000 1.141 84 T CB -0.126 68.747 68.868 0.009 0.000 0.873 84 T HN 0.216 nan 8.240 nan 0.000 0.449 85 Q N 1.352 121.156 119.800 0.007 0.000 2.103 85 Q HA -0.232 4.108 4.340 0.001 0.000 0.213 85 Q C 2.282 178.284 176.000 0.004 0.000 1.008 85 Q CA 2.054 57.860 55.803 0.005 0.000 0.879 85 Q CB -0.243 28.498 28.738 0.004 0.000 0.946 85 Q HN 0.445 nan 8.270 nan 0.000 0.413 86 E N 0.150 120.352 120.200 0.003 0.000 2.047 86 E HA -0.203 4.147 4.350 0.001 0.000 0.191 86 E C 1.739 178.340 176.600 0.003 0.000 0.987 86 E CA 1.454 57.855 56.400 0.003 0.000 0.799 86 E CB -0.033 29.668 29.700 0.003 0.000 0.752 86 E HN 0.378 nan 8.360 nan 0.000 0.449 87 K N 0.416 120.817 120.400 0.003 0.000 2.089 87 K HA -0.191 4.129 4.320 0.001 0.000 0.210 87 K C 2.202 178.804 176.600 0.002 0.000 1.048 87 K CA 1.905 58.194 56.287 0.003 0.000 0.926 87 K CB -0.038 32.464 32.500 0.003 0.000 0.714 87 K HN 0.218 nan 8.250 nan 0.000 0.448 88 E N 0.036 120.238 120.200 0.003 0.000 2.013 88 E HA -0.094 4.256 4.350 0.001 0.000 0.196 88 E C 1.776 178.378 176.600 0.002 0.000 0.964 88 E CA 1.043 57.444 56.400 0.003 0.000 0.854 88 E CB -0.405 29.297 29.700 0.004 0.000 0.816 88 E HN 0.060 nan 8.360 nan 0.000 0.489 89 V N -0.181 119.735 119.914 0.002 0.000 3.483 89 V HA 0.238 4.358 4.120 0.001 0.000 0.301 89 V C 0.796 176.891 176.094 0.002 0.000 1.389 89 V CA 1.222 63.524 62.300 0.002 0.000 1.101 89 V CB -0.161 31.663 31.823 0.002 0.000 0.971 89 V HN 0.641 nan 8.190 nan 0.000 0.434 90 G N 0.767 109.568 108.800 0.002 0.000 5.064 90 G HA2 -0.269 3.691 3.960 0.001 0.000 0.277 90 G HA3 -0.269 3.691 3.960 0.001 0.000 0.277 90 G C 0.108 175.008 174.900 0.000 0.000 1.580 90 G CA 0.274 45.375 45.100 0.002 0.000 1.109 90 G HN 0.529 nan 8.290 nan 0.000 0.695 91 D N 1.357 121.757 120.400 -0.000 0.000 2.414 91 D HA 0.483 5.123 4.640 0.001 0.000 0.251 91 D C 1.551 177.849 176.300 -0.003 0.000 1.252 91 D CA 1.644 55.643 54.000 -0.002 0.000 0.999 91 D CB 0.274 41.072 40.800 -0.003 0.000 1.093 91 D HN 1.778 nan 8.370 nan 0.000 0.515 92 G N -0.561 108.234 108.800 -0.007 0.000 2.155 92 G HA2 -0.333 3.627 3.960 0.001 0.000 0.257 92 G HA3 -0.333 3.627 3.960 0.001 0.000 0.257 92 G C 1.078 175.973 174.900 -0.007 0.000 0.983 92 G CA 1.448 46.543 45.100 -0.008 0.000 0.676 92 G HN 0.556 nan 8.290 nan 0.000 0.528 93 T N -0.084 114.466 114.554 -0.006 0.000 2.569 93 T HA -0.159 4.192 4.350 0.001 0.000 0.263 93 T C 2.784 177.479 174.700 -0.008 0.000 1.074 93 T CA 3.248 65.345 62.100 -0.005 0.000 1.176 93 T CB -1.600 67.265 68.868 -0.004 0.000 0.863 93 T HN 1.584 nan 8.240 nan 0.000 0.410 94 T N 0.913 115.461 114.554 -0.011 0.000 2.582 94 T HA -0.373 3.978 4.350 0.001 0.000 0.238 94 T C 1.895 176.583 174.700 -0.021 0.000 1.283 94 T CA 2.771 64.862 62.100 -0.016 0.000 1.101 94 T CB -2.027 66.830 68.868 -0.018 0.000 0.823 94 T HN 0.473 nan 8.240 nan 0.000 0.467 95 T N 1.919 116.460 114.554 -0.021 0.000 2.643 95 T HA 0.275 4.625 4.350 0.001 0.000 0.256 95 T C 2.421 177.104 174.700 -0.029 0.000 1.061 95 T CA 2.047 64.130 62.100 -0.028 0.000 1.163 95 T CB -1.254 67.599 68.868 -0.025 0.000 0.865 95 T HN 0.811 nan 8.240 nan 0.000 0.407 96 A N 0.879 123.688 122.820 -0.018 0.000 1.670 96 A HA -0.300 4.020 4.320 0.001 0.000 0.312 96 A C 2.410 179.985 177.584 -0.015 0.000 3.495 96 A CA 3.747 55.779 52.037 -0.010 0.000 0.917 96 A CB -1.575 17.424 19.000 -0.001 0.000 0.783 96 A HN 0.995 nan 8.150 nan 0.000 0.530 97 V N -4.250 115.654 119.914 -0.016 0.000 3.661 97 V HA 0.281 4.402 4.120 0.001 0.000 0.271 97 V C 1.875 177.959 176.094 -0.018 0.000 1.315 97 V CA 1.106 63.399 62.300 -0.012 0.000 1.072 97 V CB 0.150 31.971 31.823 -0.003 0.000 0.830 97 V HN 0.304 nan 8.190 nan 0.000 0.443 98 V N 1.482 121.380 119.914 -0.027 0.000 2.323 98 V HA -0.133 3.988 4.120 0.001 0.000 0.244 98 V C 2.786 178.851 176.094 -0.048 0.000 1.041 98 V CA 2.239 64.519 62.300 -0.034 0.000 1.025 98 V CB 0.364 32.163 31.823 -0.039 0.000 0.656 98 V HN 0.622 nan 8.190 nan 0.000 0.451 99 V N -0.869 119.006 119.914 -0.065 0.000 3.078 99 V HA -0.033 4.087 4.120 0.001 0.000 0.265 99 V C 2.156 178.182 176.094 -0.113 0.000 1.122 99 V CA 1.819 64.054 62.300 -0.108 0.000 1.141 99 V CB -0.840 30.894 31.823 -0.149 0.000 0.735 99 V HN 0.359 nan 8.190 nan 0.000 0.498 100 A N 1.051 123.838 122.820 -0.056 0.000 1.903 100 A HA 0.291 4.612 4.320 0.001 0.000 0.213 100 A C 2.281 179.859 177.584 -0.010 0.000 1.185 100 A CA 1.280 53.306 52.037 -0.018 0.000 0.628 100 A CB -1.263 17.737 19.000 0.000 0.000 0.830 100 A HN 0.635 nan 8.150 nan 0.000 0.446 101 G N -0.012 108.779 108.800 -0.016 0.000 2.604 101 G HA2 -0.276 3.685 3.960 0.001 0.000 0.216 101 G HA3 -0.276 3.685 3.960 0.001 0.000 0.216 101 G C 1.310 176.201 174.900 -0.016 0.000 1.265 101 G CA 1.435 46.527 45.100 -0.013 0.000 0.804 101 G HN 0.532 nan 8.290 nan 0.000 0.579 102 E N -0.052 120.130 120.200 -0.031 0.000 2.164 102 E HA -0.260 4.090 4.350 0.001 0.000 0.233 102 E C 2.229 178.815 176.600 -0.023 0.000 1.073 102 E CA 1.617 57.994 56.400 -0.037 0.000 0.941 102 E CB -0.810 28.850 29.700 -0.067 0.000 0.820 102 E HN 0.201 nan 8.360 nan 0.000 0.486 103 L N -0.174 121.026 121.223 -0.039 0.000 2.661 103 L HA -0.091 4.249 4.340 0.001 0.000 0.236 103 L C 1.560 178.485 176.870 0.092 0.000 1.176 103 L CA 1.243 56.094 54.840 0.018 0.000 0.836 103 L CB -0.110 41.920 42.059 -0.048 0.000 0.960 103 L HN 0.308 nan 8.230 nan 0.000 0.455 104 L N -2.452 118.795 121.223 0.040 0.000 2.467 104 L HA 0.094 4.434 4.340 0.001 0.000 0.213 104 L C 2.467 179.345 176.870 0.013 0.000 1.053 104 L CA 0.110 54.964 54.840 0.023 0.000 0.847 104 L CB -0.485 41.580 42.059 0.010 0.000 1.075 104 L HN 0.140 nan 8.230 nan 0.000 0.479 105 R N 1.429 121.935 120.500 0.009 0.000 2.082 105 R HA -0.178 4.162 4.340 0.001 0.000 0.234 105 R C 2.076 178.387 176.300 0.017 0.000 1.136 105 R CA 1.593 57.697 56.100 0.006 0.000 0.935 105 R CB -0.132 30.168 30.300 -0.000 0.000 0.842 105 R HN 0.140 nan 8.270 nan 0.000 0.430 106 K N 0.366 120.785 120.400 0.033 0.000 2.103 106 K HA -0.121 4.199 4.320 0.001 0.000 0.207 106 K C 2.082 178.722 176.600 0.066 0.000 1.048 106 K CA 1.362 57.683 56.287 0.057 0.000 0.930 106 K CB -0.388 32.165 32.500 0.089 0.000 0.716 106 K HN 0.389 nan 8.250 nan 0.000 0.444 107 A N 1.289 124.147 122.820 0.064 0.000 1.978 107 A HA -0.224 4.096 4.320 0.001 0.000 0.220 107 A C 2.144 179.716 177.584 -0.020 0.000 1.170 107 A CA 1.829 53.868 52.037 0.004 0.000 0.636 107 A CB -0.368 18.613 19.000 -0.032 0.000 0.810 107 A HN 0.442 nan 8.150 nan 0.000 0.448 108 E N 0.114 120.310 120.200 -0.007 0.000 2.047 108 E HA -0.185 4.165 4.350 0.001 0.000 0.191 108 E C 1.758 178.353 176.600 -0.009 0.000 0.987 108 E CA 1.172 57.564 56.400 -0.014 0.000 0.799 108 E CB -0.183 29.511 29.700 -0.010 0.000 0.752 108 E HN 0.673 nan 8.360 nan 0.000 0.449 109 E N -0.010 120.193 120.200 0.004 0.000 2.352 109 E HA -0.235 4.115 4.350 0.001 0.000 0.203 109 E C 1.929 178.532 176.600 0.006 0.000 1.024 109 E CA 0.810 57.214 56.400 0.008 0.000 0.842 109 E CB -0.018 29.695 29.700 0.021 0.000 0.753 109 E HN 0.434 nan 8.360 nan 0.000 0.508 110 L N -0.613 120.609 121.223 -0.001 0.000 2.347 110 L HA -0.016 4.325 4.340 0.001 0.000 0.196 110 L C 2.297 179.152 176.870 -0.024 0.000 1.072 110 L CA 0.257 55.093 54.840 -0.008 0.000 0.817 110 L CB -0.480 41.572 42.059 -0.011 0.000 1.029 110 L HN 0.091 nan 8.230 nan 0.000 0.478 111 L N -0.663 120.533 121.223 -0.044 0.000 2.353 111 L HA -0.364 3.976 4.340 0.001 0.000 0.232 111 L C 1.016 177.871 176.870 -0.025 0.000 1.132 111 L CA 2.469 57.281 54.840 -0.047 0.000 0.857 111 L CB -1.398 40.614 42.059 -0.078 0.000 0.941 111 L HN 0.310 nan 8.230 nan 0.000 0.451 112 D N -1.371 119.020 120.400 -0.015 0.000 2.402 112 D HA 0.037 4.677 4.640 0.001 0.000 0.216 112 D C 1.461 177.760 176.300 -0.002 0.000 1.128 112 D CA 0.192 54.188 54.000 -0.007 0.000 0.833 112 D CB 0.479 41.275 40.800 -0.008 0.000 0.971 112 D HN 0.512 nan 8.370 nan 0.000 0.503 113 Q N 0.756 120.556 119.800 -0.001 0.000 2.280 113 Q HA 0.088 4.429 4.340 0.001 0.000 0.202 113 Q C -0.446 175.558 176.000 0.007 0.000 0.903 113 Q CA -0.070 55.736 55.803 0.004 0.000 0.948 113 Q CB -0.533 28.209 28.738 0.006 0.000 1.058 113 Q HN 0.126 nan 8.270 nan 0.000 0.493 114 N N -0.214 118.491 118.700 0.008 0.000 2.724 114 N HA -0.202 4.538 4.740 0.001 0.000 0.293 114 N C -0.655 174.869 175.510 0.023 0.000 1.090 114 N CA 0.330 53.391 53.050 0.018 0.000 0.793 114 N CB -0.188 38.314 38.487 0.025 0.000 0.958 114 N HN 0.220 nan 8.380 nan 0.000 0.575 115 V N 2.736 122.652 119.914 0.005 0.000 2.446 115 V HA 0.121 4.241 4.120 0.001 0.000 0.276 115 V C 0.518 176.610 176.094 -0.004 0.000 1.030 115 V CA -0.499 61.801 62.300 -0.001 0.000 1.033 115 V CB 0.296 32.123 31.823 0.007 0.000 0.993 115 V HN 0.649 nan 8.190 nan 0.000 0.477 116 H N 7.648 126.707 119.070 -0.018 0.000 1.637 116 H HA -0.112 4.445 4.556 0.001 0.000 0.314 116 H C -1.347 173.961 175.328 -0.033 0.000 0.766 116 H CA 1.120 57.155 56.048 -0.021 0.000 1.056 116 H CB -0.296 29.456 29.762 -0.017 0.000 1.475 116 H HN 0.759 nan 8.280 nan 0.000 0.246 117 P HA -0.256 nan 4.420 nan 0.000 0.218 117 P C 1.280 178.447 177.300 -0.222 0.000 1.146 117 P CA 2.071 64.925 63.100 -0.411 0.000 0.820 117 P CB 0.067 31.485 31.700 -0.469 0.000 0.778 118 T N -4.055 110.426 114.554 -0.121 0.000 3.098 118 T HA -0.026 4.325 4.350 0.001 0.000 0.266 118 T C 1.688 176.394 174.700 0.011 0.000 1.145 118 T CA 0.338 62.459 62.100 0.034 0.000 1.092 118 T CB -0.491 68.494 68.868 0.195 0.000 0.908 118 T HN -0.063 nan 8.240 nan 0.000 0.526 119 I N 0.600 121.161 120.570 -0.015 0.000 2.490 119 I HA 0.054 4.224 4.170 0.001 0.000 0.234 119 I C 2.579 178.657 176.117 -0.066 0.000 1.066 119 I CA 0.082 61.372 61.300 -0.016 0.000 1.405 119 I CB -1.440 36.557 38.000 -0.005 0.000 1.191 119 I HN 0.108 nan 8.210 nan 0.000 0.433 120 V N 1.722 121.554 119.914 -0.137 0.000 2.322 120 V HA -0.381 3.740 4.120 0.001 0.000 0.258 120 V C 2.675 178.499 176.094 -0.450 0.000 1.102 120 V CA 3.320 65.428 62.300 -0.320 0.000 1.106 120 V CB -0.535 31.055 31.823 -0.390 0.000 0.784 120 V HN 0.378 nan 8.190 nan 0.000 0.461 121 V N -2.837 116.940 119.914 -0.228 0.000 2.323 121 V HA -0.219 3.902 4.120 0.001 0.000 0.244 121 V C 2.368 178.457 176.094 -0.007 0.000 1.041 121 V CA 2.381 64.614 62.300 -0.111 0.000 1.025 121 V CB -1.132 30.653 31.823 -0.063 0.000 0.656 121 V HN 0.541 nan 8.190 nan 0.000 0.451 122 K N 1.081 121.480 120.400 -0.002 0.000 2.160 122 K HA -0.113 4.207 4.320 0.001 0.000 0.206 122 K C 2.179 178.822 176.600 0.072 0.000 1.047 122 K CA 1.704 58.009 56.287 0.031 0.000 0.930 122 K CB -0.783 31.731 32.500 0.023 0.000 0.720 122 K HN 0.665 nan 8.250 nan 0.000 0.450 123 G N 0.071 108.951 108.800 0.133 0.000 2.484 123 G HA2 -0.237 3.723 3.960 0.001 0.000 0.215 123 G HA3 -0.237 3.723 3.960 0.001 0.000 0.215 123 G C 1.014 176.059 174.900 0.240 0.000 1.219 123 G CA 0.717 45.966 45.100 0.249 0.000 0.791 123 G HN 0.225 nan 8.290 nan 0.000 0.550 124 Y N 2.130 122.371 120.300 -0.098 0.000 2.497 124 Y HA -0.071 4.480 4.550 0.001 0.000 0.292 124 Y C 3.088 178.795 175.900 -0.321 0.000 1.137 124 Y CA 0.912 58.860 58.100 -0.253 0.000 1.285 124 Y CB -0.526 37.918 38.460 -0.026 0.000 0.991 124 Y HN 0.531 nan 8.280 nan 0.000 0.556 125 Q N -0.908 118.895 119.800 0.005 0.000 2.137 125 Q HA 0.039 4.380 4.340 0.001 0.000 0.198 125 Q C 2.214 178.171 176.000 -0.072 0.000 0.960 125 Q CA 1.233 57.014 55.803 -0.037 0.000 0.847 125 Q CB -0.461 28.278 28.738 0.003 0.000 0.915 125 Q HN 0.294 nan 8.270 nan 0.000 0.448 126 A N 1.033 123.829 122.820 -0.041 0.000 2.132 126 A HA 0.395 4.715 4.320 0.001 0.000 0.213 126 A C 2.129 179.665 177.584 -0.079 0.000 1.154 126 A CA 0.667 52.692 52.037 -0.020 0.000 0.753 126 A CB -0.184 18.855 19.000 0.065 0.000 0.826 126 A HN 0.413 nan 8.150 nan 0.000 0.469 127 A N -0.733 121.992 122.820 -0.158 0.000 2.208 127 A HA 0.499 4.819 4.320 0.001 0.000 0.209 127 A C 1.980 179.286 177.584 -0.464 0.000 1.161 127 A CA 1.148 52.995 52.037 -0.317 0.000 0.782 127 A CB -0.362 18.412 19.000 -0.377 0.000 0.816 127 A HN 0.768 nan 8.150 nan 0.000 0.477 128 A N -0.831 121.751 122.820 -0.397 0.000 2.014 128 A HA 0.076 4.397 4.320 0.001 0.000 0.210 128 A C 1.935 179.430 177.584 -0.149 0.000 1.188 128 A CA 0.838 52.706 52.037 -0.282 0.000 0.731 128 A CB -0.110 18.777 19.000 -0.189 0.000 0.858 128 A HN 0.522 nan 8.150 nan 0.000 0.464 129 Q N -0.541 119.172 119.800 -0.145 0.000 2.376 129 Q HA 0.019 4.359 4.340 0.001 0.000 0.206 129 Q C 1.856 177.773 176.000 -0.139 0.000 0.921 129 Q CA 0.994 56.731 55.803 -0.109 0.000 0.911 129 Q CB 0.024 28.717 28.738 -0.075 0.000 1.032 129 Q HN 0.647 nan 8.270 nan 0.000 0.510 130 K N 1.728 121.997 120.400 -0.219 0.000 2.002 130 K HA -0.162 4.158 4.320 0.001 0.000 0.209 130 K C 2.100 178.565 176.600 -0.225 0.000 1.048 130 K CA 1.347 57.450 56.287 -0.306 0.000 0.930 130 K CB -0.280 31.829 32.500 -0.652 0.000 0.714 130 K HN 0.135 nan 8.250 nan 0.000 0.438 131 A N 1.231 123.941 122.820 -0.183 0.000 1.929 131 A HA -0.341 3.979 4.320 0.001 0.000 0.221 131 A C 2.156 179.699 177.584 -0.068 0.000 1.211 131 A CA 2.205 54.184 52.037 -0.097 0.000 0.657 131 A CB -0.982 18.001 19.000 -0.028 0.000 0.827 131 A HN 0.511 nan 8.150 nan 0.000 0.462 132 Q N -0.526 119.232 119.800 -0.071 0.000 2.096 132 Q HA -0.248 4.093 4.340 0.001 0.000 0.208 132 Q C 2.003 177.973 176.000 -0.051 0.000 0.993 132 Q CA 2.222 57.995 55.803 -0.050 0.000 0.862 132 Q CB -0.497 28.212 28.738 -0.047 0.000 0.915 132 Q HN 0.877 nan 8.270 nan 0.000 0.416 133 E N 0.126 120.280 120.200 -0.076 0.000 2.031 133 E HA -0.167 4.183 4.350 0.001 0.000 0.193 133 E C 2.220 178.786 176.600 -0.056 0.000 0.994 133 E CA 1.261 57.618 56.400 -0.071 0.000 0.800 133 E CB -0.310 29.337 29.700 -0.090 0.000 0.752 133 E HN 0.267 nan 8.360 nan 0.000 0.447 134 L N 0.472 121.653 121.223 -0.070 0.000 2.079 134 L HA -0.198 4.142 4.340 0.001 0.000 0.210 134 L C 2.418 179.271 176.870 -0.029 0.000 1.081 134 L CA 1.263 56.074 54.840 -0.048 0.000 0.752 134 L CB -0.651 41.374 42.059 -0.057 0.000 0.896 134 L HN 0.041 nan 8.230 nan 0.000 0.433 135 L N -0.472 120.735 121.223 -0.026 0.000 2.179 135 L HA -0.092 4.248 4.340 0.001 0.000 0.208 135 L C 2.594 179.460 176.870 -0.007 0.000 1.096 135 L CA 1.096 55.929 54.840 -0.013 0.000 0.779 135 L CB -0.272 41.781 42.059 -0.010 0.000 0.922 135 L HN 0.211 nan 8.230 nan 0.000 0.443 136 K N -0.770 119.623 120.400 -0.011 0.000 2.209 136 K HA -0.156 4.165 4.320 0.001 0.000 0.204 136 K C 2.022 178.621 176.600 -0.002 0.000 1.048 136 K CA 1.753 58.037 56.287 -0.006 0.000 0.940 136 K CB -0.513 31.981 32.500 -0.010 0.000 0.729 136 K HN 0.436 nan 8.250 nan 0.000 0.451 137 T N 0.563 115.116 114.554 -0.003 0.000 2.821 137 T HA -0.088 4.263 4.350 0.001 0.000 0.267 137 T C 1.968 176.678 174.700 0.017 0.000 1.046 137 T CA 1.033 63.135 62.100 0.004 0.000 1.139 137 T CB -0.573 68.296 68.868 0.001 0.000 0.871 137 T HN 0.418 nan 8.240 nan 0.000 0.454 138 I N 0.103 120.689 120.570 0.026 0.000 3.176 138 I HA 0.395 4.566 4.170 0.001 0.000 0.275 138 I C 1.257 177.396 176.117 0.038 0.000 1.298 138 I CA -0.253 61.077 61.300 0.050 0.000 1.445 138 I CB -1.469 36.563 38.000 0.055 0.000 1.075 138 I HN 0.279 nan 8.210 nan 0.000 0.482 139 A N 1.884 124.717 122.820 0.021 0.000 2.475 139 A HA -0.176 4.145 4.320 0.001 0.000 0.289 139 A C 0.533 178.126 177.584 0.015 0.000 0.889 139 A CA 1.060 53.106 52.037 0.014 0.000 1.134 139 A CB -0.798 18.208 19.000 0.010 0.000 0.732 139 A HN 0.930 nan 8.150 nan 0.000 0.377 140 C N 3.751 123.058 119.300 0.012 0.000 3.498 140 C HA 0.604 5.065 4.460 0.001 0.000 0.218 140 C C -0.125 174.868 174.990 0.005 0.000 1.284 140 C CA -0.343 58.680 59.018 0.009 0.000 1.343 140 C CB -1.112 26.633 27.740 0.008 0.000 1.825 140 C HN 0.962 nan 8.230 nan 0.000 0.518 141 E N 1.406 121.608 120.200 0.004 0.000 2.354 141 E HA 0.607 4.958 4.350 0.001 0.000 0.269 141 E C -0.445 176.156 176.600 0.002 0.000 1.036 141 E CA -0.606 55.796 56.400 0.003 0.000 0.876 141 E CB 1.630 31.331 29.700 0.003 0.000 1.009 141 E HN 0.726 nan 8.360 nan 0.000 0.416 142 V N 2.277 122.192 119.914 0.002 0.000 2.914 142 V HA 0.373 4.494 4.120 0.001 0.000 0.259 142 V C 0.051 176.146 176.094 0.001 0.000 1.631 142 V CA -0.121 62.179 62.300 0.001 0.000 0.886 142 V CB 1.120 32.943 31.823 0.002 0.000 1.173 142 V HN 0.987 nan 8.190 nan 0.000 0.476 143 G N 4.165 112.965 108.800 0.001 0.000 2.568 143 G HA2 0.406 4.367 3.960 0.001 0.000 0.231 143 G HA3 0.406 4.367 3.960 0.001 0.000 0.231 143 G C 1.290 176.190 174.900 0.001 0.000 1.261 143 G CA 0.331 45.431 45.100 0.001 0.000 0.855 143 G HN 1.938 nan 8.290 nan 0.000 0.576 144 A N 1.471 124.291 122.820 0.000 0.000 1.859 144 A HA -0.159 4.162 4.320 0.001 0.000 0.218 144 A C 2.044 179.628 177.584 -0.000 0.000 1.209 144 A CA 2.133 54.170 52.037 0.000 0.000 0.639 144 A CB -0.556 18.444 19.000 0.000 0.000 0.835 144 A HN 0.827 nan 8.150 nan 0.000 0.450 145 Q N -0.017 119.783 119.800 -0.000 0.000 2.375 145 Q HA 0.435 4.775 4.340 0.001 0.000 0.316 145 Q C -1.042 174.958 176.000 0.000 0.000 0.927 145 Q CA -0.225 55.578 55.803 -0.000 0.000 1.029 145 Q CB -0.111 28.626 28.738 -0.001 0.000 1.202 145 Q HN 0.429 nan 8.270 nan 0.000 0.431 146 D N 0.711 121.111 120.400 0.000 0.000 2.255 146 D HA 0.115 4.756 4.640 0.001 0.000 0.249 146 D C 0.464 176.764 176.300 0.001 0.000 1.078 146 D CA -0.314 53.686 54.000 0.001 0.000 0.896 146 D CB 1.202 42.002 40.800 0.001 0.000 1.194 146 D HN -0.005 nan 8.370 nan 0.000 0.429 147 K N 1.970 122.371 120.400 0.001 0.000 1.995 147 K HA -0.096 4.224 4.320 0.001 0.000 0.207 147 K C 1.577 178.178 176.600 0.002 0.000 1.041 147 K CA 0.584 56.872 56.287 0.001 0.000 0.942 147 K CB -0.118 32.383 32.500 0.001 0.000 0.731 147 K HN 0.623 nan 8.250 nan 0.000 0.439 148 E N 1.186 121.387 120.200 0.002 0.000 2.164 148 E HA -0.243 4.108 4.350 0.001 0.000 0.206 148 E C 2.018 178.620 176.600 0.003 0.000 1.032 148 E CA 2.210 58.611 56.400 0.002 0.000 0.832 148 E CB -0.305 29.396 29.700 0.002 0.000 0.742 148 E HN 0.478 nan 8.360 nan 0.000 0.460 149 I N -1.944 118.627 120.570 0.003 0.000 2.406 149 I HA -0.132 4.038 4.170 0.001 0.000 0.249 149 I C 2.200 178.319 176.117 0.004 0.000 1.122 149 I CA 0.490 61.792 61.300 0.003 0.000 1.431 149 I CB -0.249 37.753 38.000 0.003 0.000 1.087 149 I HN 0.021 nan 8.210 nan 0.000 0.424 150 L N 1.877 123.102 121.223 0.003 0.000 2.131 150 L HA -0.123 4.217 4.340 0.001 0.000 0.210 150 L C 2.865 179.738 176.870 0.004 0.000 1.092 150 L CA 2.480 57.321 54.840 0.003 0.000 0.759 150 L CB -1.202 40.858 42.059 0.001 0.000 0.903 150 L HN 0.625 nan 8.230 nan 0.000 0.435 151 T N -4.531 110.026 114.554 0.004 0.000 3.023 151 T HA -0.128 4.222 4.350 0.001 0.000 0.266 151 T C 1.928 176.633 174.700 0.008 0.000 1.093 151 T CA 0.868 62.972 62.100 0.006 0.000 1.129 151 T CB -0.060 68.811 68.868 0.005 0.000 0.899 151 T HN 0.221 nan 8.240 nan 0.000 0.491 152 K N 0.503 120.908 120.400 0.008 0.000 2.098 152 K HA 0.271 4.592 4.320 0.001 0.000 0.203 152 K C 2.194 178.801 176.600 0.011 0.000 1.051 152 K CA 0.714 57.007 56.287 0.011 0.000 0.957 152 K CB -0.111 32.395 32.500 0.010 0.000 0.738 152 K HN 0.253 nan 8.250 nan 0.000 0.447 153 I N 1.262 121.837 120.570 0.008 0.000 2.399 153 I HA -0.280 3.890 4.170 0.001 0.000 0.254 153 I C 2.229 178.351 176.117 0.008 0.000 1.146 153 I CA 1.347 62.651 61.300 0.008 0.000 1.412 153 I CB -0.670 37.333 38.000 0.005 0.000 1.076 153 I HN 0.169 nan 8.210 nan 0.000 0.432 154 A N 1.290 124.115 122.820 0.008 0.000 1.901 154 A HA -0.123 4.197 4.320 0.001 0.000 0.210 154 A C 2.335 179.925 177.584 0.011 0.000 1.208 154 A CA 0.946 52.988 52.037 0.008 0.000 0.644 154 A CB -0.494 18.510 19.000 0.006 0.000 0.863 154 A HN 0.410 nan 8.150 nan 0.000 0.454 155 M N -0.136 119.472 119.600 0.013 0.000 2.116 155 M HA -0.162 4.318 4.480 0.001 0.000 0.255 155 M C 1.234 177.546 176.300 0.022 0.000 1.075 155 M CA 2.656 57.967 55.300 0.018 0.000 1.087 155 M CB -1.640 30.973 32.600 0.021 0.000 1.340 155 M HN 0.132 nan 8.290 nan 0.000 0.402 156 T N -1.105 113.460 114.554 0.019 0.000 3.188 156 T HA 0.197 4.548 4.350 0.001 0.000 0.250 156 T C 1.636 176.344 174.700 0.014 0.000 1.077 156 T CA 0.533 62.644 62.100 0.018 0.000 0.967 156 T CB -0.088 68.791 68.868 0.019 0.000 1.006 156 T HN 0.466 nan 8.240 nan 0.000 0.552 157 S N 0.997 116.704 115.700 0.013 0.000 2.439 157 S HA 0.258 4.729 4.470 0.001 0.000 0.224 157 S C 1.105 175.712 174.600 0.013 0.000 1.029 157 S CA 0.119 58.326 58.200 0.011 0.000 0.946 157 S CB -0.076 63.129 63.200 0.008 0.000 0.797 157 S HN 0.473 nan 8.310 nan 0.000 0.504 158 I N 2.767 123.347 120.570 0.016 0.000 3.595 158 I HA 0.155 4.325 4.170 0.001 0.000 0.336 158 I C -0.014 176.119 176.117 0.027 0.000 1.402 158 I CA -0.130 61.182 61.300 0.020 0.000 1.223 158 I CB -0.123 37.888 38.000 0.019 0.000 1.455 158 I HN 0.150 nan 8.210 nan 0.000 0.456 159 T N -2.500 112.070 114.554 0.027 0.000 2.893 159 T HA 0.639 4.990 4.350 0.001 0.000 0.291 159 T C 0.776 175.492 174.700 0.026 0.000 1.028 159 T CA -0.236 61.886 62.100 0.037 0.000 0.995 159 T CB 1.963 70.854 68.868 0.038 0.000 1.051 159 T HN 0.381 nan 8.240 nan 0.000 0.470 160 G N 1.543 110.364 108.800 0.035 0.000 2.160 160 G HA2 -0.222 3.738 3.960 0.001 0.000 0.251 160 G HA3 -0.222 3.738 3.960 0.001 0.000 0.251 160 G C -0.108 174.803 174.900 0.019 0.000 1.008 160 G CA 0.687 45.800 45.100 0.021 0.000 0.724 160 G HN 0.926 nan 8.290 nan 0.000 0.514 161 K N -1.763 118.652 120.400 0.026 0.000 2.208 161 K HA 0.667 4.987 4.320 0.001 0.000 0.240 161 K C 1.451 178.066 176.600 0.024 0.000 1.088 161 K CA -0.399 55.901 56.287 0.021 0.000 0.902 161 K CB 0.511 33.023 32.500 0.019 0.000 1.355 161 K HN 0.229 nan 8.250 nan 0.000 0.526 162 G N -0.297 108.516 108.800 0.021 0.000 3.210 162 G HA2 0.332 4.292 3.960 0.001 0.000 0.220 162 G HA3 0.332 4.292 3.960 0.001 0.000 0.220 162 G C 0.195 175.110 174.900 0.026 0.000 1.200 162 G CA 0.505 45.617 45.100 0.021 0.000 0.834 162 G HN 0.482 nan 8.290 nan 0.000 0.524 163 A N 0.158 122.994 122.820 0.027 0.000 2.240 163 A HA 0.251 4.572 4.320 0.001 0.000 0.225 163 A C 0.898 178.497 177.584 0.026 0.000 2.778 163 A CA 0.596 52.648 52.037 0.024 0.000 1.834 163 A CB -1.123 17.891 19.000 0.024 0.000 0.363 163 A HN 0.350 nan 8.150 nan 0.000 0.767 164 E N 0.588 120.807 120.200 0.033 0.000 2.396 164 E HA -0.347 4.003 4.350 0.001 0.000 0.209 164 E C 1.435 178.052 176.600 0.029 0.000 1.056 164 E CA 2.125 58.549 56.400 0.040 0.000 0.851 164 E CB -0.059 29.679 29.700 0.063 0.000 0.754 164 E HN 0.435 nan 8.360 nan 0.000 0.504 165 K N 0.182 120.594 120.400 0.020 0.000 2.116 165 K HA 0.144 4.464 4.320 0.001 0.000 0.203 165 K C 1.698 178.301 176.600 0.006 0.000 1.052 165 K CA 1.193 57.484 56.287 0.007 0.000 0.952 165 K CB -0.190 32.309 32.500 -0.001 0.000 0.729 165 K HN 0.257 nan 8.250 nan 0.000 0.446 166 A N 1.239 124.065 122.820 0.011 0.000 2.259 166 A HA -0.045 4.275 4.320 0.001 0.000 0.208 166 A C 1.498 179.088 177.584 0.010 0.000 1.201 166 A CA 0.542 52.584 52.037 0.010 0.000 0.824 166 A CB -0.599 18.408 19.000 0.012 0.000 0.838 166 A HN 0.408 nan 8.150 nan 0.000 0.485 167 K N 0.480 120.887 120.400 0.012 0.000 2.020 167 K HA -0.265 4.055 4.320 0.001 0.000 0.212 167 K C 1.736 178.342 176.600 0.010 0.000 1.050 167 K CA 1.646 57.941 56.287 0.013 0.000 0.929 167 K CB -0.541 31.970 32.500 0.018 0.000 0.714 167 K HN 0.469 nan 8.250 nan 0.000 0.443 168 E N 1.016 121.220 120.200 0.007 0.000 2.108 168 E HA -0.308 4.042 4.350 0.001 0.000 0.203 168 E C 1.978 178.582 176.600 0.005 0.000 1.022 168 E CA 1.927 58.330 56.400 0.005 0.000 0.823 168 E CB 0.018 29.718 29.700 0.001 0.000 0.744 168 E HN 0.235 nan 8.360 nan 0.000 0.456 169 K N 0.177 120.580 120.400 0.006 0.000 2.211 169 K HA 0.084 4.405 4.320 0.001 0.000 0.201 169 K C 2.100 178.704 176.600 0.007 0.000 1.052 169 K CA 0.381 56.672 56.287 0.006 0.000 0.973 169 K CB -0.171 32.333 32.500 0.007 0.000 0.766 169 K HN 0.159 nan 8.250 nan 0.000 0.466 170 L N -0.152 121.076 121.223 0.008 0.000 2.083 170 L HA -0.135 4.206 4.340 0.001 0.000 0.209 170 L C 1.917 178.791 176.870 0.007 0.000 1.083 170 L CA 1.491 56.336 54.840 0.008 0.000 0.752 170 L CB -0.279 41.786 42.059 0.011 0.000 0.899 170 L HN 0.193 nan 8.230 nan 0.000 0.433 171 A N -1.625 121.199 122.820 0.007 0.000 2.238 171 A HA -0.069 4.251 4.320 0.001 0.000 0.210 171 A C 2.112 179.699 177.584 0.005 0.000 1.179 171 A CA 0.502 52.542 52.037 0.006 0.000 0.827 171 A CB -0.114 18.890 19.000 0.007 0.000 0.856 171 A HN 0.442 nan 8.150 nan 0.000 0.488 172 E N 0.455 120.658 120.200 0.004 0.000 2.201 172 E HA -0.029 4.321 4.350 0.001 0.000 0.193 172 E C 1.842 178.444 176.600 0.003 0.000 0.957 172 E CA 0.794 57.196 56.400 0.004 0.000 0.858 172 E CB -0.136 29.566 29.700 0.004 0.000 0.816 172 E HN 0.697 nan 8.360 nan 0.000 0.475 173 I N 0.387 120.959 120.570 0.004 0.000 2.546 173 I HA -0.111 4.059 4.170 0.001 0.000 0.255 173 I C 2.502 178.618 176.117 -0.001 0.000 1.163 173 I CA 0.741 62.042 61.300 0.002 0.000 1.457 173 I CB -0.725 37.278 38.000 0.004 0.000 1.092 173 I HN 0.124 nan 8.210 nan 0.000 0.434 174 I N 0.042 120.612 120.570 -0.001 0.000 2.233 174 I HA -0.086 4.084 4.170 0.001 0.000 0.243 174 I C 2.414 178.529 176.117 -0.004 0.000 1.093 174 I CA 1.111 62.410 61.300 -0.003 0.000 1.380 174 I CB -0.807 37.193 38.000 -0.001 0.000 1.067 174 I HN 0.005 nan 8.210 nan 0.000 0.413 175 V N 1.840 121.754 119.914 -0.001 0.000 2.407 175 V HA -0.209 3.911 4.120 0.001 0.000 0.248 175 V C 2.620 178.712 176.094 -0.003 0.000 1.055 175 V CA 2.055 64.354 62.300 -0.002 0.000 1.049 175 V CB -0.883 30.940 31.823 -0.000 0.000 0.662 175 V HN 0.457 nan 8.190 nan 0.000 0.455 176 E N 0.231 120.429 120.200 -0.003 0.000 2.153 176 E HA -0.174 4.176 4.350 0.001 0.000 0.194 176 E C 2.280 178.876 176.600 -0.008 0.000 0.988 176 E CA 1.276 57.673 56.400 -0.004 0.000 0.811 176 E CB -0.215 29.485 29.700 -0.001 0.000 0.746 176 E HN 0.623 nan 8.360 nan 0.000 0.466 177 A N 0.705 123.520 122.820 -0.009 0.000 1.970 177 A HA -0.054 4.267 4.320 0.001 0.000 0.216 177 A C 2.359 179.933 177.584 -0.017 0.000 1.170 177 A CA 0.719 52.748 52.037 -0.014 0.000 0.645 177 A CB -0.035 18.956 19.000 -0.014 0.000 0.816 177 A HN 0.097 nan 8.150 nan 0.000 0.447 178 V N -0.760 119.146 119.914 -0.014 0.000 2.725 178 V HA -0.060 4.060 4.120 0.001 0.000 0.247 178 V C 2.238 178.324 176.094 -0.013 0.000 1.058 178 V CA 1.720 64.012 62.300 -0.014 0.000 1.080 178 V CB -0.375 31.442 31.823 -0.010 0.000 0.713 178 V HN 0.438 nan 8.190 nan 0.000 0.465 179 S N 0.470 116.164 115.700 -0.011 0.000 2.603 179 S HA 0.154 4.625 4.470 0.001 0.000 0.229 179 S C 1.856 176.448 174.600 -0.012 0.000 0.972 179 S CA 0.942 59.136 58.200 -0.010 0.000 0.935 179 S CB -0.006 63.191 63.200 -0.006 0.000 0.769 179 S HN 0.627 nan 8.310 nan 0.000 0.536 180 A N 0.943 123.752 122.820 -0.018 0.000 1.993 180 A HA 0.182 4.502 4.320 0.001 0.000 0.207 180 A C 2.232 179.794 177.584 -0.037 0.000 1.224 180 A CA 0.658 52.680 52.037 -0.025 0.000 0.749 180 A CB -0.638 18.348 19.000 -0.023 0.000 0.884 180 A HN 0.431 nan 8.150 nan 0.000 0.467 181 V N -1.261 118.630 119.914 -0.039 0.000 2.295 181 V HA -0.068 4.052 4.120 0.001 0.000 0.246 181 V C 1.533 177.606 176.094 -0.036 0.000 1.049 181 V CA 1.295 63.568 62.300 -0.044 0.000 1.024 181 V CB -1.591 30.209 31.823 -0.038 0.000 0.648 181 V HN 0.371 nan 8.190 nan 0.000 0.447 182 V N 4.114 124.013 119.914 -0.024 0.000 2.540 182 V HA 0.200 4.320 4.120 0.001 0.000 0.297 182 V C -0.079 176.006 176.094 -0.015 0.000 1.024 182 V CA 0.293 62.583 62.300 -0.018 0.000 1.105 182 V CB -0.304 31.512 31.823 -0.012 0.000 0.938 182 V HN 0.967 nan 8.190 nan 0.000 0.482 183 D N 3.792 124.184 120.400 -0.012 0.000 2.168 183 D HA 0.453 5.094 4.640 0.001 0.000 0.246 183 D C 0.022 176.321 176.300 -0.001 0.000 1.050 183 D CA -0.429 53.568 54.000 -0.005 0.000 0.857 183 D CB 1.361 42.160 40.800 -0.001 0.000 1.169 183 D HN 0.657 nan 8.370 nan 0.000 0.453 184 D N 1.091 121.492 120.400 0.002 0.000 2.835 184 D HA -0.227 4.414 4.640 0.001 0.000 0.230 184 D C -0.788 175.513 176.300 0.001 0.000 1.130 184 D CA 0.708 54.709 54.000 0.002 0.000 0.738 184 D CB -1.064 39.738 40.800 0.003 0.000 1.090 184 D HN 0.709 nan 8.370 nan 0.000 0.433 185 E N -0.794 119.406 120.200 -0.000 0.000 1.259 185 E HA -0.114 4.236 4.350 0.001 0.000 0.290 185 E C 0.943 177.542 176.600 -0.001 0.000 1.244 185 E CA 1.443 57.842 56.400 -0.001 0.000 1.031 185 E CB -1.050 28.649 29.700 -0.000 0.000 0.765 185 E HN 0.863 nan 8.360 nan 0.000 0.317 186 G N 2.854 111.653 108.800 -0.002 0.000 2.456 186 G HA2 -0.130 3.831 3.960 0.001 0.000 0.208 186 G HA3 -0.130 3.831 3.960 0.001 0.000 0.208 186 G C -0.211 174.688 174.900 -0.002 0.000 1.004 186 G CA -0.070 45.029 45.100 -0.001 0.000 0.791 186 G HN 0.351 nan 8.290 nan 0.000 0.537 187 K N 0.377 120.775 120.400 -0.003 0.000 2.619 187 K HA 0.662 4.982 4.320 0.001 0.000 0.251 187 K C -0.626 175.970 176.600 -0.006 0.000 0.987 187 K CA -0.102 56.182 56.287 -0.004 0.000 0.844 187 K CB 2.428 34.926 32.500 -0.003 0.000 1.237 187 K HN 1.082 nan 8.250 nan 0.000 0.447 188 V N -0.510 119.400 119.914 -0.007 0.000 3.258 188 V HA 0.830 4.950 4.120 0.001 0.000 0.299 188 V C -2.008 174.081 176.094 -0.009 0.000 1.376 188 V CA -0.468 61.826 62.300 -0.009 0.000 1.063 188 V CB 2.542 34.359 31.823 -0.010 0.000 1.103 188 V HN 0.754 nan 8.190 nan 0.000 0.451 189 D N 0.988 121.381 120.400 -0.011 0.000 2.301 189 D HA 0.274 4.915 4.640 0.001 0.000 0.187 189 D C 0.473 176.763 176.300 -0.016 0.000 1.264 189 D CA -0.305 53.687 54.000 -0.013 0.000 0.849 189 D CB 1.506 42.297 40.800 -0.015 0.000 1.828 189 D HN 0.785 nan 8.370 nan 0.000 0.526 190 K N 2.030 122.421 120.400 -0.015 0.000 1.987 190 K HA -0.234 4.087 4.320 0.001 0.000 0.232 190 K C 1.213 177.802 176.600 -0.018 0.000 1.003 190 K CA 1.602 57.880 56.287 -0.015 0.000 1.066 190 K CB -0.488 32.005 32.500 -0.011 0.000 0.718 190 K HN 0.619 nan 8.250 nan 0.000 0.477 191 D N 2.022 122.410 120.400 -0.019 0.000 2.378 191 D HA -0.095 4.545 4.640 0.001 0.000 0.227 191 D C 1.492 177.774 176.300 -0.029 0.000 1.012 191 D CA 0.182 54.167 54.000 -0.024 0.000 0.905 191 D CB 0.026 40.813 40.800 -0.022 0.000 0.895 191 D HN 0.120 nan 8.370 nan 0.000 0.532 192 L N 1.370 122.574 121.223 -0.032 0.000 2.331 192 L HA -0.313 4.027 4.340 0.001 0.000 0.245 192 L C 1.487 178.332 176.870 -0.042 0.000 1.126 192 L CA 1.897 56.714 54.840 -0.038 0.000 0.834 192 L CB -1.796 40.236 42.059 -0.044 0.000 0.982 192 L HN 0.268 nan 8.230 nan 0.000 0.432 193 I N 0.079 120.628 120.570 -0.036 0.000 2.624 193 I HA 0.028 4.199 4.170 0.001 0.000 0.307 193 I C 0.934 177.029 176.117 -0.038 0.000 1.191 193 I CA 0.063 61.342 61.300 -0.035 0.000 1.708 193 I CB -0.886 37.097 38.000 -0.028 0.000 1.521 193 I HN 0.219 nan 8.210 nan 0.000 0.805 194 K N 6.512 126.884 120.400 -0.047 0.000 2.149 194 K HA 0.442 4.762 4.320 0.001 0.000 0.245 194 K C -0.099 176.473 176.600 -0.048 0.000 1.024 194 K CA -0.417 55.839 56.287 -0.052 0.000 0.899 194 K CB 0.809 33.267 32.500 -0.069 0.000 1.038 194 K HN 0.710 nan 8.250 nan 0.000 0.496 195 I N 0.681 121.222 120.570 -0.048 0.000 2.714 195 I HA 0.264 4.435 4.170 0.001 0.000 0.276 195 I C -0.945 175.142 176.117 -0.049 0.000 1.196 195 I CA -0.962 60.314 61.300 -0.041 0.000 1.068 195 I CB 1.415 39.398 38.000 -0.029 0.000 1.291 195 I HN 0.372 nan 8.210 nan 0.000 0.530 196 E N 4.705 124.867 120.200 -0.064 0.000 2.299 196 E HA 0.203 4.554 4.350 0.001 0.000 0.272 196 E C -0.711 175.861 176.600 -0.048 0.000 1.043 196 E CA 0.094 56.451 56.400 -0.071 0.000 0.895 196 E CB 0.700 30.330 29.700 -0.117 0.000 1.011 196 E HN 0.446 nan 8.360 nan 0.000 0.432 197 K N 4.507 124.883 120.400 -0.040 0.000 2.281 197 K HA 0.396 4.716 4.320 0.001 0.000 0.272 197 K C -0.526 176.063 176.600 -0.019 0.000 1.048 197 K CA -0.756 55.516 56.287 -0.026 0.000 0.898 197 K CB 1.094 33.575 32.500 -0.032 0.000 1.128 197 K HN 0.091 nan 8.250 nan 0.000 0.460 198 K N 1.879 122.278 120.400 -0.002 0.000 2.541 198 K HA 0.215 4.535 4.320 0.001 0.000 0.250 198 K C -0.894 175.719 176.600 0.021 0.000 0.950 198 K CA -0.526 55.769 56.287 0.013 0.000 0.805 198 K CB 2.067 34.589 32.500 0.036 0.000 1.166 198 K HN 0.613 nan 8.250 nan 0.000 0.430 199 S N 0.751 116.461 115.700 0.016 0.000 2.642 199 S HA 0.301 4.771 4.470 0.001 0.000 0.308 199 S C 0.680 175.294 174.600 0.023 0.000 1.255 199 S CA 0.505 58.714 58.200 0.015 0.000 1.057 199 S CB 0.063 63.269 63.200 0.011 0.000 0.785 199 S HN 0.836 nan 8.310 nan 0.000 0.500 200 G N 0.801 109.613 108.800 0.020 0.000 3.239 200 G HA2 0.534 4.495 3.960 0.001 0.000 0.666 200 G HA3 0.534 4.495 3.960 0.001 0.000 0.666 200 G C -0.465 174.448 174.900 0.021 0.000 1.313 200 G CA -0.416 44.696 45.100 0.021 0.000 1.001 200 G HN 1.841 nan 8.290 nan 0.000 0.573 201 A N 0.051 122.881 122.820 0.016 0.000 2.483 201 A HA 0.928 5.249 4.320 0.001 0.000 0.265 201 A C -0.022 177.569 177.584 0.013 0.000 1.032 201 A CA 0.789 52.836 52.037 0.015 0.000 0.530 201 A CB -0.539 18.470 19.000 0.015 0.000 1.663 201 A HN 2.664 nan 8.150 nan 0.000 0.797 202 S N -1.635 114.072 115.700 0.012 0.000 2.638 202 S HA 0.606 5.076 4.470 0.001 0.000 0.274 202 S C 1.116 175.722 174.600 0.011 0.000 1.157 202 S CA -0.081 58.125 58.200 0.011 0.000 0.826 202 S CB 0.846 64.050 63.200 0.008 0.000 1.139 202 S HN 1.679 nan 8.310 nan 0.000 0.474 203 I N 0.454 121.030 120.570 0.010 0.000 2.597 203 I HA -0.161 4.010 4.170 0.001 0.000 0.262 203 I C 0.609 176.732 176.117 0.011 0.000 1.194 203 I CA 1.761 63.068 61.300 0.011 0.000 1.437 203 I CB -1.179 36.826 38.000 0.010 0.000 1.096 203 I HN 0.538 nan 8.210 nan 0.000 0.451 204 D N 0.076 120.481 120.400 0.009 0.000 2.389 204 D HA -0.032 4.609 4.640 0.001 0.000 0.206 204 D C 0.939 177.246 176.300 0.010 0.000 1.055 204 D CA 0.164 54.169 54.000 0.008 0.000 0.856 204 D CB 0.041 40.844 40.800 0.005 0.000 0.957 204 D HN 0.148 nan 8.370 nan 0.000 0.509 205 D N 1.114 121.522 120.400 0.013 0.000 2.538 205 D HA 0.007 4.648 4.640 0.001 0.000 0.234 205 D C -0.008 176.306 176.300 0.022 0.000 1.191 205 D CA 0.264 54.274 54.000 0.017 0.000 0.828 205 D CB -0.139 40.672 40.800 0.018 0.000 0.981 205 D HN 0.162 nan 8.370 nan 0.000 0.490 206 T N -1.228 113.338 114.554 0.019 0.000 2.738 206 T HA 0.368 4.718 4.350 0.001 0.000 0.298 206 T C 0.109 174.822 174.700 0.021 0.000 0.962 206 T CA -0.821 61.291 62.100 0.021 0.000 0.972 206 T CB 1.239 70.116 68.868 0.015 0.000 0.928 206 T HN 0.142 nan 8.240 nan 0.000 0.474 207 E N 3.242 123.459 120.200 0.029 0.000 2.232 207 E HA 0.585 4.936 4.350 0.001 0.000 0.264 207 E C -1.219 175.398 176.600 0.028 0.000 0.973 207 E CA -1.335 55.084 56.400 0.031 0.000 0.849 207 E CB 1.500 31.227 29.700 0.044 0.000 1.198 207 E HN 0.474 nan 8.360 nan 0.000 0.407 208 L N 2.904 124.143 121.223 0.025 0.000 2.433 208 L HA 0.290 4.630 4.340 0.001 0.000 0.256 208 L C -0.439 176.445 176.870 0.023 0.000 1.063 208 L CA -0.626 54.224 54.840 0.016 0.000 0.922 208 L CB 0.874 42.937 42.059 0.008 0.000 1.238 208 L HN 0.598 nan 8.230 nan 0.000 0.466 209 I N 0.556 121.147 120.570 0.034 0.000 2.574 209 I HA 0.052 4.223 4.170 0.001 0.000 0.291 209 I C 0.829 176.958 176.117 0.020 0.000 1.131 209 I CA -0.080 61.248 61.300 0.048 0.000 1.352 209 I CB 0.071 38.120 38.000 0.082 0.000 1.431 209 I HN 0.582 nan 8.210 nan 0.000 0.543 210 K N 4.307 124.718 120.400 0.018 0.000 2.587 210 K HA -0.110 4.211 4.320 0.001 0.000 0.196 210 K C 1.060 177.657 176.600 -0.006 0.000 1.046 210 K CA 1.116 57.405 56.287 0.004 0.000 0.930 210 K CB -0.116 32.384 32.500 -0.001 0.000 0.771 210 K HN 0.983 nan 8.250 nan 0.000 0.492 211 G N -0.999 107.798 108.800 -0.005 0.000 3.366 211 G HA2 0.420 4.381 3.960 0.001 0.000 0.179 211 G HA3 0.420 4.381 3.960 0.001 0.000 0.179 211 G C -1.228 173.639 174.900 -0.054 0.000 1.143 211 G CA -0.445 44.641 45.100 -0.024 0.000 0.810 211 G HN -0.052 nan 8.290 nan 0.000 0.697 212 V N 0.640 120.506 119.914 -0.081 0.000 2.638 212 V HA 0.621 4.741 4.120 0.001 0.000 0.306 212 V C -1.492 174.489 176.094 -0.188 0.000 1.052 212 V CA -0.598 61.621 62.300 -0.136 0.000 0.885 212 V CB 1.930 33.652 31.823 -0.168 0.000 0.999 212 V HN 0.606 nan 8.190 nan 0.000 0.424 213 L N 7.908 128.995 121.223 -0.227 0.000 2.343 213 L HA 0.812 5.153 4.340 0.001 0.000 0.278 213 L C -0.290 176.418 176.870 -0.270 0.000 0.996 213 L CA -0.156 54.473 54.840 -0.352 0.000 0.831 213 L CB 1.484 43.220 42.059 -0.539 0.000 1.232 213 L HN 0.529 nan 8.230 nan 0.000 0.413 214 V N 1.027 120.809 119.914 -0.219 0.000 3.284 214 V HA 0.702 4.823 4.120 0.001 0.000 0.309 214 V C -0.450 175.591 176.094 -0.089 0.000 1.190 214 V CA -0.735 61.481 62.300 -0.140 0.000 1.038 214 V CB 1.766 33.517 31.823 -0.118 0.000 1.198 214 V HN 0.703 nan 8.190 nan 0.000 0.465 215 D N 1.446 121.823 120.400 -0.039 0.000 2.517 215 D HA 0.403 5.043 4.640 0.001 0.000 0.301 215 D C -0.950 175.367 176.300 0.028 0.000 1.202 215 D CA -0.213 53.782 54.000 -0.009 0.000 0.910 215 D CB 0.439 41.228 40.800 -0.019 0.000 1.021 215 D HN 0.515 nan 8.370 nan 0.000 0.499 216 K N 1.611 122.048 120.400 0.062 0.000 2.565 216 K HA 0.310 4.630 4.320 0.001 0.000 0.249 216 K C -0.161 176.497 176.600 0.097 0.000 0.958 216 K CA -0.554 55.792 56.287 0.099 0.000 0.806 216 K CB 2.247 34.823 32.500 0.127 0.000 1.194 216 K HN 0.195 nan 8.250 nan 0.000 0.434 217 E N 2.503 122.743 120.200 0.066 0.000 2.242 217 E HA 0.340 4.691 4.350 0.001 0.000 0.275 217 E C -0.364 176.253 176.600 0.028 0.000 1.002 217 E CA -0.984 55.443 56.400 0.045 0.000 0.841 217 E CB 1.361 31.079 29.700 0.031 0.000 1.109 217 E HN 0.177 nan 8.360 nan 0.000 0.394 218 R N 1.897 122.407 120.500 0.017 0.000 2.421 218 R HA 0.020 4.360 4.340 0.001 0.000 0.305 218 R C 0.909 177.206 176.300 -0.006 0.000 1.039 218 R CA -0.239 55.856 56.100 -0.008 0.000 1.003 218 R CB 0.517 30.811 30.300 -0.010 0.000 0.959 218 R HN 0.421 nan 8.270 nan 0.000 0.427 219 V N 2.585 122.488 119.914 -0.018 0.000 2.227 219 V HA -0.273 3.848 4.120 0.001 0.000 0.249 219 V C 1.239 177.331 176.094 -0.003 0.000 1.046 219 V CA 2.279 64.572 62.300 -0.011 0.000 1.015 219 V CB -0.027 31.787 31.823 -0.016 0.000 0.648 219 V HN 0.891 nan 8.190 nan 0.000 0.460 220 S N -1.859 113.838 115.700 -0.005 0.000 2.652 220 S HA 0.540 5.011 4.470 0.001 0.000 0.270 220 S C 0.833 175.434 174.600 0.002 0.000 1.243 220 S CA -0.123 58.081 58.200 0.006 0.000 0.999 220 S CB 1.571 64.769 63.200 -0.002 0.000 0.973 220 S HN 0.612 nan 8.310 nan 0.000 0.544 221 A N 2.110 124.938 122.820 0.013 0.000 2.030 221 A HA 0.098 4.418 4.320 0.001 0.000 0.215 221 A C 1.953 179.538 177.584 0.002 0.000 1.164 221 A CA 0.507 52.549 52.037 0.009 0.000 0.697 221 A CB -0.739 18.270 19.000 0.015 0.000 0.827 221 A HN 0.732 nan 8.150 nan 0.000 0.457 222 Q N -0.149 119.650 119.800 -0.001 0.000 2.197 222 Q HA -0.135 4.205 4.340 0.001 0.000 0.211 222 Q C 0.712 176.692 176.000 -0.032 0.000 0.993 222 Q CA 1.150 56.937 55.803 -0.026 0.000 0.883 222 Q CB -0.662 28.037 28.738 -0.064 0.000 0.916 222 Q HN 0.722 nan 8.270 nan 0.000 0.418 223 M N 1.105 120.688 119.600 -0.029 0.000 2.248 223 M HA 0.079 4.559 4.480 0.001 0.000 0.337 223 M C -1.937 174.349 176.300 -0.023 0.000 1.121 223 M CA -1.470 53.811 55.300 -0.031 0.000 1.155 223 M CB 0.276 32.854 32.600 -0.036 0.000 1.514 223 M HN -0.185 nan 8.290 nan 0.000 0.452 224 P HA -0.119 nan 4.420 nan 0.000 0.253 224 P C -0.838 176.456 177.300 -0.010 0.000 1.159 224 P CA 0.627 63.718 63.100 -0.015 0.000 0.779 224 P CB 0.113 31.805 31.700 -0.015 0.000 0.745 225 K N 4.350 124.748 120.400 -0.004 0.000 3.001 225 K HA 0.159 4.480 4.320 0.001 0.000 0.257 225 K C 0.281 176.884 176.600 0.004 0.000 1.290 225 K CA -0.062 56.227 56.287 0.003 0.000 1.252 225 K CB -0.290 32.214 32.500 0.007 0.000 1.656 225 K HN 0.500 nan 8.250 nan 0.000 0.351 226 K N -2.101 118.302 120.400 0.004 0.000 2.726 226 K HA 0.050 4.370 4.320 0.001 0.000 0.301 226 K C -1.657 174.948 176.600 0.007 0.000 1.202 226 K CA -0.468 55.824 56.287 0.009 0.000 1.074 226 K CB -0.018 32.483 32.500 0.002 0.000 1.395 226 K HN -0.092 nan 8.250 nan 0.000 0.428 227 V N 3.083 123.006 119.914 0.014 0.000 2.459 227 V HA 0.436 4.556 4.120 0.001 0.000 0.295 227 V C 1.060 177.166 176.094 0.019 0.000 1.029 227 V CA -0.139 62.169 62.300 0.012 0.000 0.874 227 V CB 1.115 32.943 31.823 0.008 0.000 0.985 227 V HN 0.982 nan 8.190 nan 0.000 0.438 228 T N 1.886 116.448 114.554 0.013 0.000 2.697 228 T HA -0.028 4.322 4.350 0.001 0.000 0.244 228 T C 0.282 174.995 174.700 0.021 0.000 1.090 228 T CA 0.816 62.925 62.100 0.015 0.000 1.255 228 T CB -0.141 68.733 68.868 0.009 0.000 0.931 228 T HN 0.641 nan 8.240 nan 0.000 0.406 229 D N 1.861 122.271 120.400 0.017 0.000 2.456 229 D HA 0.599 5.240 4.640 0.001 0.000 0.219 229 D C -0.690 175.622 176.300 0.021 0.000 1.126 229 D CA -0.124 53.889 54.000 0.021 0.000 0.890 229 D CB 0.460 41.270 40.800 0.016 0.000 1.025 229 D HN 0.540 nan 8.370 nan 0.000 0.511 230 A N 3.068 125.905 122.820 0.030 0.000 2.331 230 A HA 0.532 4.852 4.320 0.001 0.000 0.283 230 A C -0.058 177.550 177.584 0.039 0.000 1.142 230 A CA -0.533 51.524 52.037 0.034 0.000 0.812 230 A CB 0.540 19.567 19.000 0.045 0.000 1.074 230 A HN 0.288 nan 8.150 nan 0.000 0.497 231 K N 2.339 122.759 120.400 0.033 0.000 2.473 231 K HA 0.486 4.806 4.320 0.001 0.000 0.246 231 K C -0.987 175.641 176.600 0.047 0.000 1.011 231 K CA -0.060 56.249 56.287 0.037 0.000 0.984 231 K CB 0.744 33.258 32.500 0.023 0.000 1.250 231 K HN 0.546 nan 8.250 nan 0.000 0.454 232 I N 1.815 122.432 120.570 0.078 0.000 2.662 232 I HA 0.441 4.611 4.170 0.001 0.000 0.291 232 I C 0.251 176.432 176.117 0.106 0.000 1.046 232 I CA -0.282 61.092 61.300 0.123 0.000 1.361 232 I CB 1.298 39.438 38.000 0.233 0.000 1.429 232 I HN 0.601 nan 8.210 nan 0.000 0.558 233 A N 6.153 129.044 122.820 0.118 0.000 2.393 233 A HA 0.799 5.120 4.320 0.001 0.000 0.306 233 A C -1.139 176.526 177.584 0.136 0.000 1.050 233 A CA -0.571 51.520 52.037 0.090 0.000 0.724 233 A CB 1.099 20.123 19.000 0.041 0.000 1.248 233 A HN 0.603 nan 8.150 nan 0.000 0.424 234 L N 3.460 124.745 121.223 0.104 0.000 2.325 234 L HA 0.498 4.839 4.340 0.001 0.000 0.281 234 L C -1.143 175.772 176.870 0.075 0.000 1.004 234 L CA -0.645 54.263 54.840 0.112 0.000 0.823 234 L CB 1.697 43.805 42.059 0.083 0.000 1.236 234 L HN 0.636 nan 8.230 nan 0.000 0.415 235 L N 4.721 125.992 121.223 0.081 0.000 2.534 235 L HA 0.202 4.543 4.340 0.001 0.000 0.259 235 L C 0.596 177.496 176.870 0.051 0.000 1.108 235 L CA -0.063 54.810 54.840 0.056 0.000 0.905 235 L CB 1.035 43.125 42.059 0.051 0.000 1.138 235 L HN 0.675 nan 8.230 nan 0.000 0.475 236 N N 1.984 120.708 118.700 0.040 0.000 2.184 236 N HA -0.154 4.586 4.740 0.001 0.000 0.190 236 N C 0.662 176.189 175.510 0.028 0.000 1.011 236 N CA 1.551 54.620 53.050 0.032 0.000 0.867 236 N CB 0.104 38.607 38.487 0.028 0.000 0.993 236 N HN 0.618 nan 8.380 nan 0.000 0.433 237 C N 0.564 119.880 119.300 0.027 0.000 2.350 237 C HA 0.744 5.205 4.460 0.001 0.000 0.348 237 C C 0.294 175.299 174.990 0.024 0.000 1.260 237 C CA -0.504 58.528 59.018 0.022 0.000 1.966 237 C CB -0.799 26.952 27.740 0.019 0.000 2.380 237 C HN 0.681 nan 8.230 nan 0.000 0.535 238 A N 5.281 128.113 122.820 0.021 0.000 1.670 238 A HA -0.225 4.096 4.320 0.001 0.000 0.227 238 A C 0.441 178.037 177.584 0.021 0.000 1.213 238 A CA 1.096 53.145 52.037 0.020 0.000 0.731 238 A CB -1.140 17.870 19.000 0.017 0.000 1.183 238 A HN 1.544 nan 8.150 nan 0.000 0.254 239 I N 0.964 121.547 120.570 0.023 0.000 3.806 239 I HA 0.075 4.246 4.170 0.001 0.000 0.321 239 I C 1.101 177.234 176.117 0.027 0.000 1.315 239 I CA 0.320 61.636 61.300 0.026 0.000 1.148 239 I CB -0.218 37.799 38.000 0.028 0.000 1.028 239 I HN 0.714 nan 8.210 nan 0.000 0.415 240 E N 1.101 121.315 120.200 0.024 0.000 2.180 240 E HA 0.250 4.600 4.350 0.001 0.000 0.283 240 E C -0.653 175.960 176.600 0.022 0.000 1.061 240 E CA -0.391 56.022 56.400 0.022 0.000 0.861 240 E CB 0.873 30.583 29.700 0.018 0.000 1.056 240 E HN 0.190 nan 8.360 nan 0.000 0.407 241 E N 2.544 122.759 120.200 0.025 0.000 2.447 241 E HA 0.401 4.751 4.350 0.001 0.000 0.258 241 E C -0.704 175.910 176.600 0.023 0.000 0.916 241 E CA -0.896 55.518 56.400 0.023 0.000 0.846 241 E CB 1.624 31.339 29.700 0.025 0.000 1.517 241 E HN 0.639 nan 8.360 nan 0.000 0.418 242 T N -0.579 113.988 114.554 0.021 0.000 2.855 242 T HA 0.729 5.080 4.350 0.001 0.000 0.281 242 T C 0.374 175.087 174.700 0.022 0.000 1.007 242 T CA -0.739 61.372 62.100 0.018 0.000 1.009 242 T CB 1.700 70.575 68.868 0.013 0.000 0.983 242 T HN 0.557 nan 8.240 nan 0.000 0.455 243 A N 2.434 125.266 122.820 0.020 0.000 2.339 243 A HA 0.603 4.924 4.320 0.001 0.000 0.272 243 A C 1.132 178.738 177.584 0.036 0.000 1.182 243 A CA 0.400 52.454 52.037 0.029 0.000 0.819 243 A CB -0.878 18.131 19.000 0.015 0.000 1.115 243 A HN 1.376 nan 8.150 nan 0.000 0.512 244 S N -1.912 113.818 115.700 0.050 0.000 3.426 244 S HA -0.249 4.221 4.470 0.001 0.000 0.630 244 S C 1.239 175.891 174.600 0.088 0.000 2.670 244 S CA 1.141 59.383 58.200 0.070 0.000 3.374 244 S CB -1.654 61.578 63.200 0.053 0.000 0.296 244 S HN 1.176 nan 8.310 nan 0.000 1.445 245 E N -0.094 120.142 120.200 0.060 0.000 3.220 245 E HA -0.424 3.927 4.350 0.001 0.000 0.340 245 E C 1.726 178.344 176.600 0.031 0.000 1.110 245 E CA 2.610 59.032 56.400 0.036 0.000 1.358 245 E CB -0.678 29.034 29.700 0.020 0.000 1.382 245 E HN 0.567 nan 8.360 nan 0.000 0.404 246 M N -0.578 119.038 119.600 0.027 0.000 4.020 246 M HA -0.436 4.044 4.480 0.001 0.000 0.289 246 M C 2.197 178.518 176.300 0.035 0.000 0.774 246 M CA 2.800 58.116 55.300 0.027 0.000 0.934 246 M CB -1.219 31.394 32.600 0.021 0.000 1.503 246 M HN 0.589 nan 8.290 nan 0.000 0.624 247 L N -1.672 119.583 121.223 0.053 0.000 3.451 247 L HA -0.506 3.834 4.340 0.001 0.000 0.057 247 L C 2.128 179.063 176.870 0.108 0.000 4.371 247 L CA 2.625 57.518 54.840 0.089 0.000 0.630 247 L CB -1.412 40.705 42.059 0.097 0.000 3.504 247 L HN 0.530 nan 8.230 nan 0.000 0.659 248 K N -1.161 119.289 120.400 0.083 0.000 2.242 248 K HA -0.058 4.262 4.320 0.001 0.000 0.200 248 K C 1.370 177.907 176.600 -0.104 0.000 1.050 248 K CA 1.224 57.492 56.287 -0.031 0.000 0.981 248 K CB 0.153 32.566 32.500 -0.145 0.000 0.795 248 K HN 0.346 nan 8.250 nan 0.000 0.477 249 D N 0.861 121.231 120.400 -0.050 0.000 2.323 249 D HA -0.007 4.634 4.640 0.001 0.000 0.209 249 D C 1.752 178.035 176.300 -0.029 0.000 0.973 249 D CA 0.653 54.623 54.000 -0.049 0.000 0.874 249 D CB 0.138 40.919 40.800 -0.032 0.000 0.930 249 D HN 0.285 nan 8.370 nan 0.000 0.521 250 M N -0.262 119.333 119.600 -0.008 0.000 2.080 250 M HA -0.146 4.334 4.480 0.001 0.000 0.260 250 M C 2.152 178.451 176.300 -0.001 0.000 1.068 250 M CA 1.206 56.508 55.300 0.002 0.000 1.109 250 M CB -0.440 32.168 32.600 0.013 0.000 1.342 250 M HN -0.129 nan 8.290 nan 0.000 0.405 251 V N 0.082 119.997 119.914 0.001 0.000 2.535 251 V HA 0.009 4.130 4.120 0.001 0.000 0.246 251 V C 2.588 178.663 176.094 -0.033 0.000 1.045 251 V CA 1.390 63.695 62.300 0.007 0.000 1.058 251 V CB -1.545 30.317 31.823 0.064 0.000 0.689 251 V HN 0.521 nan 8.190 nan 0.000 0.461 252 A N -0.434 122.340 122.820 -0.078 0.000 2.234 252 A HA -0.171 4.149 4.320 0.001 0.000 0.216 252 A C 2.199 179.752 177.584 -0.053 0.000 1.167 252 A CA 1.455 53.440 52.037 -0.086 0.000 0.698 252 A CB -0.362 18.562 19.000 -0.127 0.000 0.779 252 A HN 0.490 nan 8.150 nan 0.000 0.475 253 E N 0.262 120.441 120.200 -0.036 0.000 2.057 253 E HA -0.059 4.291 4.350 0.001 0.000 0.190 253 E C 1.876 178.467 176.600 -0.016 0.000 0.969 253 E CA 0.869 57.256 56.400 -0.022 0.000 0.812 253 E CB -0.321 29.370 29.700 -0.016 0.000 0.777 253 E HN 0.659 nan 8.360 nan 0.000 0.455 254 I N 1.339 121.901 120.570 -0.012 0.000 2.253 254 I HA -0.408 3.762 4.170 0.001 0.000 0.234 254 I C 2.545 178.654 176.117 -0.014 0.000 0.978 254 I CA 2.176 63.469 61.300 -0.011 0.000 1.271 254 I CB -0.695 37.300 38.000 -0.008 0.000 0.978 254 I HN 0.037 nan 8.210 nan 0.000 0.394 255 K N 1.213 121.601 120.400 -0.021 0.000 2.281 255 K HA -0.145 4.175 4.320 0.001 0.000 0.203 255 K C 1.966 178.553 176.600 -0.020 0.000 1.046 255 K CA 1.375 57.648 56.287 -0.022 0.000 0.938 255 K CB -0.206 32.276 32.500 -0.029 0.000 0.737 255 K HN 0.440 nan 8.250 nan 0.000 0.458 256 A N 0.437 123.245 122.820 -0.020 0.000 1.855 256 A HA -0.173 4.148 4.320 0.001 0.000 0.215 256 A C 2.172 179.749 177.584 -0.011 0.000 1.191 256 A CA 1.979 54.006 52.037 -0.017 0.000 0.613 256 A CB -1.329 17.658 19.000 -0.020 0.000 0.829 256 A HN 0.564 nan 8.150 nan 0.000 0.442 257 S N -1.029 114.666 115.700 -0.008 0.000 2.414 257 S HA 0.022 4.492 4.470 0.001 0.000 0.238 257 S C 1.655 176.254 174.600 -0.003 0.000 1.055 257 S CA 2.717 60.915 58.200 -0.004 0.000 1.174 257 S CB -0.943 62.257 63.200 -0.000 0.000 1.087 257 S HN 1.931 nan 8.310 nan 0.000 0.428 258 G N -0.209 108.589 108.800 -0.003 0.000 3.509 258 G HA2 0.321 4.281 3.960 0.001 0.000 0.220 258 G HA3 0.321 4.281 3.960 0.001 0.000 0.220 258 G C 0.071 174.971 174.900 -0.000 0.000 0.951 258 G CA 0.044 45.143 45.100 -0.000 0.000 0.844 258 G HN 1.324 nan 8.290 nan 0.000 0.568 259 A N 1.641 124.459 122.820 -0.003 0.000 2.478 259 A HA 0.574 4.895 4.320 0.001 0.000 0.327 259 A C 1.034 178.610 177.584 -0.014 0.000 1.431 259 A CA 0.285 52.320 52.037 -0.004 0.000 1.014 259 A CB -0.058 18.938 19.000 -0.006 0.000 1.143 259 A HN 0.575 nan 8.150 nan 0.000 0.532 260 N N 1.604 120.296 118.700 -0.013 0.000 2.398 260 N HA 0.059 4.800 4.740 0.001 0.000 0.188 260 N C -0.438 175.045 175.510 -0.044 0.000 1.122 260 N CA 0.342 53.378 53.050 -0.023 0.000 0.866 260 N CB 0.244 38.721 38.487 -0.017 0.000 0.970 260 N HN 0.213 nan 8.380 nan 0.000 0.462 261 V N 0.647 120.530 119.914 -0.052 0.000 2.711 261 V HA 0.474 4.595 4.120 0.001 0.000 0.304 261 V C -1.253 174.746 176.094 -0.159 0.000 1.097 261 V CA -0.882 61.346 62.300 -0.121 0.000 0.906 261 V CB 2.172 33.972 31.823 -0.038 0.000 1.015 261 V HN 0.167 nan 8.190 nan 0.000 0.427 262 L N 4.689 125.705 121.223 -0.345 0.000 2.464 262 L HA 0.739 5.080 4.340 0.001 0.000 0.266 262 L C -1.851 174.722 176.870 -0.494 0.000 0.965 262 L CA -0.216 54.477 54.840 -0.245 0.000 0.833 262 L CB 2.080 44.069 42.059 -0.117 0.000 1.296 262 L HN 0.559 nan 8.230 nan 0.000 0.405 263 F N 3.890 123.847 119.950 0.013 0.000 2.427 263 F HA 0.499 5.026 4.527 0.001 0.000 0.348 263 F C 0.094 175.900 175.800 0.010 0.000 1.125 263 F CA -0.760 57.246 58.000 0.010 0.000 0.989 263 F CB 1.345 40.349 39.000 0.007 0.000 1.165 263 F HN 0.471 nan 8.300 nan 0.000 0.442 264 C N 1.890 121.272 119.300 0.137 0.000 2.379 264 C HA 0.464 4.924 4.460 0.001 0.000 0.323 264 C C 1.301 176.339 174.990 0.080 0.000 1.262 264 C CA -0.736 58.335 59.018 0.089 0.000 1.581 264 C CB 0.997 28.766 27.740 0.048 0.000 2.221 264 C HN 1.060 nan 8.230 nan 0.000 0.497 265 Q N 2.710 122.548 119.800 0.063 0.000 2.050 265 Q HA -0.092 4.248 4.340 0.001 0.000 0.202 265 Q C 1.106 177.127 176.000 0.036 0.000 0.980 265 Q CA 1.275 57.105 55.803 0.045 0.000 0.840 265 Q CB 0.078 28.836 28.738 0.033 0.000 0.898 265 Q HN 0.813 nan 8.270 nan 0.000 0.424 266 K N 0.634 121.054 120.400 0.033 0.000 2.443 266 K HA -0.002 4.318 4.320 0.001 0.000 0.268 266 K C 0.577 177.194 176.600 0.028 0.000 0.971 266 K CA 0.757 57.061 56.287 0.028 0.000 0.902 266 K CB -0.420 32.094 32.500 0.022 0.000 0.950 266 K HN 0.298 nan 8.250 nan 0.000 0.525 267 G N -0.251 108.563 108.800 0.024 0.000 2.641 267 G HA2 0.673 4.634 3.960 0.001 0.000 0.239 267 G HA3 0.673 4.634 3.960 0.001 0.000 0.239 267 G C -0.396 174.516 174.900 0.021 0.000 1.402 267 G CA -0.970 44.143 45.100 0.022 0.000 1.046 267 G HN 0.576 nan 8.290 nan 0.000 0.565 268 I N 0.165 120.746 120.570 0.018 0.000 2.630 268 I HA 0.185 4.356 4.170 0.001 0.000 0.279 268 I C -1.566 174.560 176.117 0.014 0.000 1.235 268 I CA -0.731 60.579 61.300 0.017 0.000 1.096 268 I CB 1.582 39.591 38.000 0.015 0.000 1.318 268 I HN 0.395 nan 8.210 nan 0.000 0.457 269 D N 3.342 123.751 120.400 0.016 0.000 2.363 269 D HA 0.091 4.732 4.640 0.001 0.000 0.240 269 D C 0.774 177.076 176.300 0.003 0.000 1.236 269 D CA 0.558 54.564 54.000 0.010 0.000 0.927 269 D CB 1.251 42.059 40.800 0.012 0.000 1.150 269 D HN 0.503 nan 8.370 nan 0.000 0.458 270 D N -0.200 120.193 120.400 -0.012 0.000 2.183 270 D HA -0.040 4.600 4.640 0.001 0.000 0.205 270 D C 1.780 178.054 176.300 -0.043 0.000 0.962 270 D CA 0.391 54.376 54.000 -0.024 0.000 0.849 270 D CB -0.214 40.569 40.800 -0.029 0.000 0.978 270 D HN 0.381 nan 8.370 nan 0.000 0.488 271 L N 0.681 121.863 121.223 -0.068 0.000 2.021 271 L HA -0.274 4.067 4.340 0.001 0.000 0.215 271 L C 2.060 178.860 176.870 -0.117 0.000 1.074 271 L CA 2.254 57.017 54.840 -0.129 0.000 0.760 271 L CB -0.408 41.529 42.059 -0.202 0.000 0.889 271 L HN 0.026 nan 8.230 nan 0.000 0.433 272 A N -0.954 121.875 122.820 0.014 0.000 1.902 272 A HA -0.233 4.087 4.320 0.001 0.000 0.217 272 A C 2.179 179.810 177.584 0.079 0.000 1.181 272 A CA 1.904 54.002 52.037 0.102 0.000 0.623 272 A CB -0.574 18.490 19.000 0.107 0.000 0.818 272 A HN 0.721 nan 8.150 nan 0.000 0.443 273 Q N -1.712 118.111 119.800 0.038 0.000 2.424 273 Q HA -0.031 4.309 4.340 0.001 0.000 0.204 273 Q C 1.749 177.768 176.000 0.032 0.000 0.933 273 Q CA 0.332 56.153 55.803 0.031 0.000 0.929 273 Q CB -0.092 28.656 28.738 0.017 0.000 1.037 273 Q HN 0.836 nan 8.270 nan 0.000 0.511 274 H N -0.583 118.432 119.070 -0.093 0.000 2.489 274 H HA -0.152 4.405 4.556 0.001 0.000 0.293 274 H C 0.830 176.094 175.328 -0.107 0.000 1.066 274 H CA 1.294 57.257 56.048 -0.143 0.000 1.305 274 H CB 0.423 30.050 29.762 -0.226 0.000 1.386 274 H HN 0.297 nan 8.280 nan 0.000 0.551 275 Y N 0.901 121.204 120.300 0.006 0.000 2.231 275 Y HA -0.125 4.425 4.550 0.001 0.000 0.294 275 Y C 2.902 178.760 175.900 -0.070 0.000 1.120 275 Y CA 0.990 59.066 58.100 -0.040 0.000 1.141 275 Y CB -0.619 37.845 38.460 0.007 0.000 1.022 275 Y HN 0.188 nan 8.280 nan 0.000 0.523 276 L N -2.396 118.885 121.223 0.096 0.000 2.217 276 L HA 0.116 4.456 4.340 0.001 0.000 0.211 276 L C 2.128 178.992 176.870 -0.010 0.000 1.107 276 L CA 1.592 56.450 54.840 0.031 0.000 0.783 276 L CB -0.934 41.135 42.059 0.018 0.000 0.919 276 L HN 0.062 nan 8.230 nan 0.000 0.442 277 A N 1.256 124.056 122.820 -0.034 0.000 2.030 277 A HA -0.075 4.246 4.320 0.001 0.000 0.215 277 A C 2.478 180.006 177.584 -0.094 0.000 1.164 277 A CA 0.935 52.934 52.037 -0.063 0.000 0.697 277 A CB -0.326 18.629 19.000 -0.075 0.000 0.827 277 A HN 0.526 nan 8.150 nan 0.000 0.457 278 K N 0.828 121.145 120.400 -0.138 0.000 2.063 278 K HA -0.238 4.082 4.320 0.001 0.000 0.208 278 K C 1.291 177.866 176.600 -0.042 0.000 1.048 278 K CA 2.013 58.238 56.287 -0.105 0.000 0.928 278 K CB -0.334 32.054 32.500 -0.187 0.000 0.713 278 K HN 0.455 nan 8.250 nan 0.000 0.442 279 E N -0.179 120.009 120.200 -0.019 0.000 2.333 279 E HA -0.021 4.330 4.350 0.001 0.000 0.198 279 E C 1.043 177.631 176.600 -0.021 0.000 1.007 279 E CA 0.756 57.145 56.400 -0.018 0.000 0.845 279 E CB -0.201 29.489 29.700 -0.017 0.000 0.766 279 E HN 0.654 nan 8.360 nan 0.000 0.507 280 G N 1.020 109.804 108.800 -0.026 0.000 2.198 280 G HA2 -0.285 3.675 3.960 0.001 0.000 0.260 280 G HA3 -0.285 3.675 3.960 0.001 0.000 0.260 280 G C 0.047 174.931 174.900 -0.027 0.000 1.025 280 G CA -0.061 45.024 45.100 -0.025 0.000 0.769 280 G HN 0.269 nan 8.290 nan 0.000 0.507 281 I N 1.452 122.004 120.570 -0.030 0.000 2.304 281 I HA 0.304 4.475 4.170 0.001 0.000 0.291 281 I C 1.302 177.387 176.117 -0.053 0.000 1.018 281 I CA -0.722 60.555 61.300 -0.038 0.000 1.260 281 I CB 1.169 39.150 38.000 -0.031 0.000 1.390 281 I HN 0.161 nan 8.210 nan 0.000 0.475 282 V N 4.310 124.178 119.914 -0.076 0.000 3.214 282 V HA 0.905 5.026 4.120 0.001 0.000 0.306 282 V C 0.134 176.138 176.094 -0.149 0.000 1.078 282 V CA -0.410 61.830 62.300 -0.100 0.000 1.077 282 V CB 1.498 33.257 31.823 -0.107 0.000 1.121 282 V HN 0.857 nan 8.190 nan 0.000 0.468 283 A N 1.433 124.153 122.820 -0.166 0.000 2.547 283 A HA 0.835 5.155 4.320 0.001 0.000 0.298 283 A C -0.516 176.971 177.584 -0.160 0.000 1.062 283 A CA -0.146 51.781 52.037 -0.183 0.000 0.748 283 A CB 0.999 19.942 19.000 -0.094 0.000 1.288 283 A HN 2.335 nan 8.150 nan 0.000 0.396 284 A N 2.397 125.112 122.820 -0.176 0.000 2.267 284 A HA 0.682 5.002 4.320 0.001 0.000 0.315 284 A C 0.330 177.938 177.584 0.039 0.000 1.297 284 A CA -0.549 51.475 52.037 -0.021 0.000 0.865 284 A CB 0.162 19.221 19.000 0.100 0.000 1.165 284 A HN 1.470 nan 8.150 nan 0.000 0.513 285 R N 2.004 122.523 120.500 0.031 0.000 2.594 285 R HA 0.482 4.823 4.340 0.001 0.000 0.272 285 R C 0.395 176.724 176.300 0.047 0.000 1.074 285 R CA 0.038 56.158 56.100 0.034 0.000 1.105 285 R CB 0.124 30.437 30.300 0.022 0.000 1.008 285 R HN 0.744 nan 8.270 nan 0.000 0.472 286 R N 0.515 121.040 120.500 0.041 0.000 3.946 286 R HA -0.155 4.185 4.340 0.001 0.000 0.329 286 R C -0.510 175.813 176.300 0.039 0.000 1.209 286 R CA 0.881 57.002 56.100 0.035 0.000 0.909 286 R CB -1.530 28.784 30.300 0.024 0.000 1.355 286 R HN 0.571 nan 8.270 nan 0.000 0.539 287 V N 1.765 121.713 119.914 0.057 0.000 2.625 287 V HA -0.136 3.985 4.120 0.001 0.000 0.305 287 V C 1.213 177.328 176.094 0.035 0.000 1.055 287 V CA 0.990 63.328 62.300 0.063 0.000 1.209 287 V CB 0.398 32.289 31.823 0.114 0.000 0.877 287 V HN 0.150 nan 8.190 nan 0.000 0.489 288 K N 3.600 124.008 120.400 0.013 0.000 2.202 288 K HA 0.133 4.454 4.320 0.001 0.000 0.264 288 K C 1.295 177.893 176.600 -0.004 0.000 1.010 288 K CA -0.343 55.945 56.287 0.003 0.000 0.940 288 K CB 0.699 33.196 32.500 -0.005 0.000 0.983 288 K HN 0.708 nan 8.250 nan 0.000 0.475 289 K N 1.238 121.637 120.400 -0.002 0.000 2.152 289 K HA -0.187 4.134 4.320 0.001 0.000 0.206 289 K C 1.828 178.418 176.600 -0.016 0.000 1.048 289 K CA 1.810 58.094 56.287 -0.005 0.000 0.933 289 K CB -0.076 32.426 32.500 0.002 0.000 0.721 289 K HN 0.487 nan 8.250 nan 0.000 0.447 290 S N 1.532 117.219 115.700 -0.021 0.000 2.490 290 S HA -0.338 4.132 4.470 0.001 0.000 0.243 290 S C 1.295 175.866 174.600 -0.049 0.000 1.052 290 S CA 2.621 60.802 58.200 -0.031 0.000 1.254 290 S CB -0.999 62.182 63.200 -0.031 0.000 1.191 290 S HN 0.806 nan 8.310 nan 0.000 0.422 291 D N 0.534 120.897 120.400 -0.062 0.000 4.769 291 D HA -0.326 4.315 4.640 0.001 0.000 0.434 291 D C 1.717 177.948 176.300 -0.114 0.000 1.471 291 D CA 2.397 56.342 54.000 -0.092 0.000 1.222 291 D CB -0.879 39.846 40.800 -0.125 0.000 0.703 291 D HN 0.334 nan 8.370 nan 0.000 0.751 292 M N 0.931 120.489 119.600 -0.071 0.000 2.149 292 M HA -0.122 4.359 4.480 0.001 0.000 0.261 292 M C 2.104 178.378 176.300 -0.044 0.000 1.064 292 M CA 2.100 57.371 55.300 -0.048 0.000 1.102 292 M CB -1.089 31.505 32.600 -0.010 0.000 1.369 292 M HN 0.408 nan 8.290 nan 0.000 0.408 293 E N -0.740 119.436 120.200 -0.040 0.000 2.077 293 E HA -0.164 4.186 4.350 0.001 0.000 0.193 293 E C 1.753 178.322 176.600 -0.050 0.000 0.989 293 E CA 1.129 57.508 56.400 -0.036 0.000 0.800 293 E CB -0.274 29.414 29.700 -0.021 0.000 0.746 293 E HN 0.421 nan 8.360 nan 0.000 0.452 294 K N -0.150 120.206 120.400 -0.074 0.000 2.361 294 K HA 0.175 4.495 4.320 0.001 0.000 0.194 294 K C 1.768 178.299 176.600 -0.116 0.000 1.032 294 K CA 0.039 56.275 56.287 -0.085 0.000 1.048 294 K CB 0.362 32.809 32.500 -0.089 0.000 0.842 294 K HN 0.097 nan 8.250 nan 0.000 0.526 295 L N 0.519 121.650 121.223 -0.154 0.000 2.162 295 L HA 0.011 4.351 4.340 0.001 0.000 0.205 295 L C 2.344 179.153 176.870 -0.101 0.000 1.086 295 L CA 0.799 55.517 54.840 -0.204 0.000 0.778 295 L CB -0.285 41.553 42.059 -0.369 0.000 0.928 295 L HN 0.060 nan 8.230 nan 0.000 0.446 296 A N 0.061 122.847 122.820 -0.057 0.000 1.948 296 A HA -0.261 4.059 4.320 0.001 0.000 0.220 296 A C 2.231 179.821 177.584 0.011 0.000 1.177 296 A CA 1.991 54.024 52.037 -0.006 0.000 0.636 296 A CB -0.338 18.663 19.000 0.003 0.000 0.815 296 A HN 0.404 nan 8.150 nan 0.000 0.449 297 K N -1.027 119.365 120.400 -0.013 0.000 2.323 297 K HA 0.314 4.635 4.320 0.001 0.000 0.197 297 K C 2.160 178.740 176.600 -0.033 0.000 1.043 297 K CA 0.564 56.840 56.287 -0.017 0.000 0.997 297 K CB -0.032 32.440 32.500 -0.046 0.000 0.807 297 K HN 0.405 nan 8.250 nan 0.000 0.497 298 A N 1.714 124.509 122.820 -0.041 0.000 1.838 298 A HA -0.124 4.196 4.320 0.001 0.000 0.215 298 A C 2.345 179.927 177.584 -0.003 0.000 1.273 298 A CA 2.018 54.035 52.037 -0.032 0.000 0.602 298 A CB -1.332 17.632 19.000 -0.060 0.000 0.934 298 A HN 0.324 nan 8.150 nan 0.000 0.461 299 T N -2.556 111.997 114.554 -0.003 0.000 2.570 299 T HA 0.193 4.543 4.350 0.001 0.000 0.266 299 T C 1.407 176.140 174.700 0.055 0.000 1.071 299 T CA 1.989 64.111 62.100 0.037 0.000 1.172 299 T CB -0.841 68.064 68.868 0.061 0.000 0.864 299 T HN 1.863 nan 8.240 nan 0.000 0.421 300 G N 0.634 109.470 108.800 0.060 0.000 2.321 300 G HA2 0.386 4.346 3.960 0.001 0.000 0.219 300 G HA3 0.386 4.346 3.960 0.001 0.000 0.219 300 G C -0.143 174.800 174.900 0.072 0.000 1.057 300 G CA -0.177 44.977 45.100 0.091 0.000 0.849 300 G HN 0.905 nan 8.290 nan 0.000 0.520 301 A N 0.520 123.372 122.820 0.054 0.000 2.303 301 A HA 0.721 5.041 4.320 0.001 0.000 0.317 301 A C 0.314 177.921 177.584 0.038 0.000 1.149 301 A CA -0.214 51.849 52.037 0.044 0.000 0.822 301 A CB 0.417 19.446 19.000 0.048 0.000 1.131 301 A HN 1.055 nan 8.150 nan 0.000 0.493 302 N N 1.246 119.964 118.700 0.030 0.000 2.406 302 N HA 0.279 5.019 4.740 0.001 0.000 0.251 302 N C -0.361 175.163 175.510 0.024 0.000 1.069 302 N CA -0.482 52.584 53.050 0.026 0.000 0.947 302 N CB 1.277 39.781 38.487 0.030 0.000 1.111 302 N HN 0.567 nan 8.380 nan 0.000 0.497 303 V N 4.705 124.632 119.914 0.021 0.000 2.475 303 V HA 0.066 4.186 4.120 0.001 0.000 0.292 303 V C 0.484 176.590 176.094 0.019 0.000 1.003 303 V CA -0.427 61.885 62.300 0.020 0.000 1.120 303 V CB -1.047 30.785 31.823 0.014 0.000 0.937 303 V HN 0.731 nan 8.190 nan 0.000 0.476 304 I N 4.608 125.191 120.570 0.022 0.000 2.793 304 I HA 0.612 4.782 4.170 0.001 0.000 0.313 304 I C 1.159 177.288 176.117 0.019 0.000 0.998 304 I CA -0.083 61.229 61.300 0.019 0.000 1.140 304 I CB 1.957 39.970 38.000 0.021 0.000 1.327 304 I HN 0.825 nan 8.210 nan 0.000 0.491 305 T N 2.076 116.640 114.554 0.016 0.000 6.176 305 T HA -0.132 4.219 4.350 0.001 0.000 0.303 305 T C 1.091 175.802 174.700 0.018 0.000 0.859 305 T CA 0.641 62.750 62.100 0.015 0.000 1.146 305 T CB -0.599 68.277 68.868 0.013 0.000 0.871 305 T HN 0.824 nan 8.240 nan 0.000 0.256 306 N N 0.447 119.157 118.700 0.016 0.000 2.096 306 N HA -0.111 4.629 4.740 0.001 0.000 0.221 306 N C 1.462 176.985 175.510 0.021 0.000 1.293 306 N CA 0.670 53.730 53.050 0.017 0.000 0.872 306 N CB -0.233 38.263 38.487 0.014 0.000 1.057 306 N HN 0.597 nan 8.380 nan 0.000 0.450 307 I N 1.660 122.243 120.570 0.021 0.000 2.148 307 I HA -0.403 3.767 4.170 0.001 0.000 0.229 307 I C 2.090 178.216 176.117 0.015 0.000 0.993 307 I CA 2.338 63.650 61.300 0.019 0.000 1.295 307 I CB -0.196 37.815 38.000 0.019 0.000 1.004 307 I HN 0.691 nan 8.210 nan 0.000 0.386 308 K N -0.139 120.269 120.400 0.013 0.000 2.444 308 K HA -0.233 4.088 4.320 0.001 0.000 0.200 308 K C 1.521 178.125 176.600 0.007 0.000 1.045 308 K CA 1.733 58.026 56.287 0.009 0.000 0.934 308 K CB -0.514 31.991 32.500 0.008 0.000 0.756 308 K HN 0.510 nan 8.250 nan 0.000 0.477 309 D N 0.896 121.302 120.400 0.010 0.000 2.194 309 D HA -0.013 4.628 4.640 0.001 0.000 0.204 309 D C 0.470 176.777 176.300 0.011 0.000 0.964 309 D CA 0.084 54.090 54.000 0.010 0.000 0.846 309 D CB -0.029 40.777 40.800 0.011 0.000 0.962 309 D HN 0.024 nan 8.370 nan 0.000 0.490 310 L N 1.334 122.566 121.223 0.015 0.000 2.781 310 L HA -0.193 4.148 4.340 0.001 0.000 0.308 310 L C 0.090 176.966 176.870 0.011 0.000 1.240 310 L CA 0.815 55.664 54.840 0.016 0.000 0.873 310 L CB -0.064 42.004 42.059 0.016 0.000 1.144 310 L HN 0.136 nan 8.230 nan 0.000 0.505 311 S N 1.568 117.276 115.700 0.013 0.000 2.718 311 S HA 0.473 4.943 4.470 0.001 0.000 0.271 311 S C 0.426 175.032 174.600 0.010 0.000 0.999 311 S CA -0.516 57.689 58.200 0.009 0.000 0.899 311 S CB 0.212 63.415 63.200 0.005 0.000 1.148 311 S HN 0.971 nan 8.310 nan 0.000 0.463 312 A N 0.767 123.591 122.820 0.007 0.000 1.997 312 A HA -0.132 4.188 4.320 0.001 0.000 0.221 312 A C 1.946 179.537 177.584 0.011 0.000 1.172 312 A CA 2.663 54.705 52.037 0.007 0.000 0.645 312 A CB -0.770 18.232 19.000 0.004 0.000 0.813 312 A HN 1.131 nan 8.150 nan 0.000 0.454 313 Q N -3.729 116.077 119.800 0.010 0.000 2.439 313 Q HA -0.009 4.332 4.340 0.001 0.000 0.193 313 Q C 0.005 176.009 176.000 0.006 0.000 0.724 313 Q CA 0.588 56.394 55.803 0.005 0.000 0.919 313 Q CB -0.557 28.182 28.738 0.001 0.000 1.289 313 Q HN 0.381 nan 8.270 nan 0.000 0.440 314 D N 1.337 121.743 120.400 0.010 0.000 2.390 314 D HA 0.189 4.830 4.640 0.001 0.000 0.235 314 D C -0.087 176.228 176.300 0.025 0.000 1.040 314 D CA 0.457 54.466 54.000 0.015 0.000 0.923 314 D CB 0.289 41.099 40.800 0.017 0.000 0.886 314 D HN 0.090 nan 8.370 nan 0.000 0.532 315 L N -0.465 120.773 121.223 0.025 0.000 2.341 315 L HA 0.590 4.930 4.340 0.001 0.000 0.267 315 L C 1.010 177.901 176.870 0.036 0.000 1.009 315 L CA -0.942 53.919 54.840 0.036 0.000 0.819 315 L CB 1.753 43.833 42.059 0.035 0.000 1.323 315 L HN -0.094 nan 8.230 nan 0.000 0.425 316 G N 0.031 108.860 108.800 0.048 0.000 2.606 316 G HA2 0.536 4.497 3.960 0.001 0.000 0.262 316 G HA3 0.536 4.497 3.960 0.001 0.000 0.262 316 G C -1.363 173.565 174.900 0.045 0.000 1.394 316 G CA -0.065 45.065 45.100 0.050 0.000 1.044 316 G HN 0.605 nan 8.290 nan 0.000 0.553 317 D N -1.714 118.717 120.400 0.050 0.000 2.736 317 D HA 0.546 5.186 4.640 0.001 0.000 0.243 317 D C -0.829 175.504 176.300 0.055 0.000 1.304 317 D CA -0.535 53.493 54.000 0.047 0.000 0.934 317 D CB 1.290 42.111 40.800 0.035 0.000 1.382 317 D HN 0.757 nan 8.370 nan 0.000 0.571 318 A N 2.314 125.168 122.820 0.057 0.000 2.550 318 A HA 0.616 4.937 4.320 0.001 0.000 0.282 318 A C 1.002 178.620 177.584 0.057 0.000 1.071 318 A CA -0.292 51.783 52.037 0.063 0.000 0.838 318 A CB 1.065 20.114 19.000 0.082 0.000 1.361 318 A HN 0.618 nan 8.150 nan 0.000 0.408 319 G N 1.063 109.892 108.800 0.049 0.000 2.503 319 G HA2 0.069 4.030 3.960 0.001 0.000 0.221 319 G HA3 0.069 4.030 3.960 0.001 0.000 0.221 319 G C 0.448 175.372 174.900 0.042 0.000 1.131 319 G CA 1.429 46.553 45.100 0.040 0.000 0.756 319 G HN 0.708 nan 8.290 nan 0.000 0.572 320 L N -0.164 121.091 121.223 0.055 0.000 2.438 320 L HA 0.572 4.912 4.340 0.001 0.000 0.270 320 L C -1.168 175.755 176.870 0.087 0.000 0.972 320 L CA -0.462 54.412 54.840 0.057 0.000 0.831 320 L CB 2.874 44.958 42.059 0.041 0.000 1.273 320 L HN -0.132 nan 8.230 nan 0.000 0.405 321 V N 3.633 123.598 119.914 0.085 0.000 2.419 321 V HA 0.483 4.604 4.120 0.001 0.000 0.287 321 V C -0.561 175.591 176.094 0.096 0.000 1.017 321 V CA -0.588 61.786 62.300 0.124 0.000 0.844 321 V CB 1.537 33.439 31.823 0.131 0.000 1.011 321 V HN 0.747 nan 8.190 nan 0.000 0.429 322 E N 3.551 123.819 120.200 0.113 0.000 2.234 322 E HA 0.353 4.703 4.350 0.001 0.000 0.266 322 E C -0.531 176.148 176.600 0.130 0.000 0.877 322 E CA -0.667 55.776 56.400 0.072 0.000 0.758 322 E CB 1.891 31.593 29.700 0.004 0.000 1.170 322 E HN 0.698 nan 8.360 nan 0.000 0.415 323 E N 4.983 125.244 120.200 0.102 0.000 1.985 323 E HA 0.039 4.390 4.350 0.001 0.000 0.268 323 E C -0.777 175.878 176.600 0.092 0.000 1.219 323 E CA 0.044 56.517 56.400 0.121 0.000 0.942 323 E CB 0.338 30.089 29.700 0.085 0.000 1.045 323 E HN 0.344 nan 8.360 nan 0.000 0.413 324 R N 4.089 124.662 120.500 0.122 0.000 2.215 324 R HA 0.132 4.472 4.340 0.001 0.000 0.336 324 R C 0.096 176.446 176.300 0.083 0.000 0.996 324 R CA -0.496 55.620 56.100 0.027 0.000 0.847 324 R CB 1.239 31.414 30.300 -0.208 0.000 1.127 324 R HN 0.401 nan 8.270 nan 0.000 0.465 325 K N 4.110 124.538 120.400 0.046 0.000 2.436 325 K HA 0.136 4.456 4.320 0.001 0.000 0.275 325 K C -0.612 176.028 176.600 0.065 0.000 0.999 325 K CA 0.238 56.558 56.287 0.055 0.000 0.980 325 K CB 0.656 33.175 32.500 0.032 0.000 0.919 325 K HN 0.584 nan 8.250 nan 0.000 0.484 326 I N 3.765 124.383 120.570 0.080 0.000 2.611 326 I HA 0.024 4.194 4.170 0.001 0.000 0.287 326 I C -0.147 176.005 176.117 0.059 0.000 1.184 326 I CA 0.502 61.852 61.300 0.084 0.000 1.054 326 I CB 1.404 39.498 38.000 0.156 0.000 1.257 326 I HN 1.142 nan 8.210 nan 0.000 0.435 327 S N 4.528 120.253 115.700 0.042 0.000 2.000 327 S HA -0.132 4.339 4.470 0.001 0.000 0.243 327 S C 0.720 175.333 174.600 0.022 0.000 1.092 327 S CA 1.268 59.485 58.200 0.029 0.000 1.426 327 S CB -1.758 61.458 63.200 0.025 0.000 1.779 327 S HN 2.520 nan 8.310 nan 0.000 0.565 328 G N 0.765 109.581 108.800 0.026 0.000 2.468 328 G HA2 0.235 4.195 3.960 0.001 0.000 0.143 328 G HA3 0.235 4.195 3.960 0.001 0.000 0.143 328 G C -0.698 174.216 174.900 0.022 0.000 1.065 328 G CA 0.263 45.376 45.100 0.021 0.000 0.776 328 G HN 0.954 nan 8.290 nan 0.000 0.486 329 D N -0.830 119.588 120.400 0.031 0.000 2.722 329 D HA 0.449 5.089 4.640 0.001 0.000 0.231 329 D C -0.799 175.531 176.300 0.049 0.000 1.218 329 D CA -0.296 53.724 54.000 0.033 0.000 0.753 329 D CB 1.518 42.333 40.800 0.026 0.000 1.471 329 D HN 0.084 nan 8.370 nan 0.000 0.455 330 S N 0.704 116.434 115.700 0.050 0.000 2.501 330 S HA 0.789 5.259 4.470 0.001 0.000 0.301 330 S C -0.419 174.228 174.600 0.080 0.000 1.096 330 S CA -0.541 57.702 58.200 0.071 0.000 1.063 330 S CB 1.154 64.388 63.200 0.056 0.000 1.042 330 S HN 0.273 nan 8.310 nan 0.000 0.494 331 M N 2.885 122.557 119.600 0.121 0.000 2.378 331 M HA 0.523 5.003 4.480 0.001 0.000 0.289 331 M C -1.266 175.158 176.300 0.206 0.000 1.136 331 M CA -0.303 55.072 55.300 0.124 0.000 0.917 331 M CB 1.776 34.403 32.600 0.045 0.000 1.669 331 M HN 0.385 nan 8.290 nan 0.000 0.461 332 I N 2.338 123.005 120.570 0.163 0.000 2.396 332 I HA 0.455 4.625 4.170 0.001 0.000 0.292 332 I C -1.127 175.099 176.117 0.181 0.000 0.999 332 I CA -0.368 61.078 61.300 0.243 0.000 1.310 332 I CB 0.825 38.997 38.000 0.286 0.000 1.404 332 I HN 0.472 nan 8.210 nan 0.000 0.496 333 F N 4.876 124.874 119.950 0.079 0.000 2.480 333 F HA 0.514 5.042 4.527 0.001 0.000 0.329 333 F C 0.077 175.916 175.800 0.066 0.000 1.091 333 F CA -0.923 57.107 58.000 0.051 0.000 0.972 333 F CB 1.776 40.796 39.000 0.032 0.000 1.150 333 F HN -0.038 nan 8.300 nan 0.000 0.467 334 V N 2.749 122.772 119.914 0.183 0.000 2.564 334 V HA 0.242 4.363 4.120 0.001 0.000 0.259 334 V C -0.287 175.864 176.094 0.095 0.000 0.936 334 V CA -0.741 61.636 62.300 0.128 0.000 0.867 334 V CB 0.170 32.030 31.823 0.062 0.000 1.076 334 V HN 0.847 nan 8.190 nan 0.000 0.476 335 E N 0.991 121.265 120.200 0.124 0.000 2.950 335 E HA 0.545 4.895 4.350 0.001 0.000 0.234 335 E C -0.096 176.544 176.600 0.068 0.000 0.936 335 E CA -0.989 55.468 56.400 0.095 0.000 1.114 335 E CB 0.608 30.384 29.700 0.126 0.000 1.555 335 E HN 0.131 nan 8.360 nan 0.000 0.488 336 E N -0.049 120.184 120.200 0.055 0.000 1.106 336 E HA -0.190 4.160 4.350 0.001 0.000 0.171 336 E C -0.738 175.886 176.600 0.041 0.000 0.785 336 E CA 0.214 56.639 56.400 0.042 0.000 0.392 336 E CB -1.533 28.187 29.700 0.034 0.000 1.053 336 E HN 0.373 nan 8.360 nan 0.000 0.238 337 C N 1.519 120.844 119.300 0.040 0.000 2.437 337 C HA -0.065 4.396 4.460 0.001 0.000 0.399 337 C C 2.002 177.018 174.990 0.044 0.000 1.478 337 C CA -0.304 58.738 59.018 0.040 0.000 1.538 337 C CB 0.336 28.091 27.740 0.025 0.000 2.506 337 C HN 0.576 nan 8.230 nan 0.000 0.603 338 K N 2.596 123.034 120.400 0.062 0.000 2.099 338 K HA -0.040 4.280 4.320 0.001 0.000 0.203 338 K C 0.890 177.554 176.600 0.106 0.000 1.047 338 K CA 1.360 57.689 56.287 0.070 0.000 0.963 338 K CB -0.051 32.489 32.500 0.066 0.000 0.759 338 K HN 0.912 nan 8.250 nan 0.000 0.451 339 H N 2.153 121.227 119.070 0.006 0.000 2.380 339 H HA 0.348 4.904 4.556 0.001 0.000 0.231 339 H C -2.671 172.657 175.328 -0.000 0.000 1.415 339 H CA -1.741 54.309 56.048 0.003 0.000 1.433 339 H CB 1.083 30.847 29.762 0.003 0.000 1.544 339 H HN 0.038 nan 8.280 nan 0.000 0.503 340 P HA 0.190 nan 4.420 nan 0.000 0.293 340 P C 0.410 177.557 177.300 -0.256 0.000 1.300 340 P CA -0.629 62.375 63.100 -0.160 0.000 0.792 340 P CB 1.656 33.312 31.700 -0.072 0.000 0.925 341 K N 1.636 121.847 120.400 -0.315 0.000 2.305 341 K HA 0.294 4.615 4.320 0.001 0.000 0.199 341 K C 0.793 177.321 176.600 -0.119 0.000 1.047 341 K CA 0.378 56.534 56.287 -0.218 0.000 0.976 341 K CB 0.161 32.529 32.500 -0.220 0.000 0.765 341 K HN 0.522 nan 8.250 nan 0.000 0.474 342 A N 0.953 123.709 122.820 -0.106 0.000 2.486 342 A HA 0.594 4.914 4.320 0.001 0.000 0.300 342 A C -1.435 176.107 177.584 -0.069 0.000 1.048 342 A CA -0.650 51.342 52.037 -0.075 0.000 0.696 342 A CB 2.334 21.294 19.000 -0.066 0.000 1.278 342 A HN -0.050 nan 8.150 nan 0.000 0.405 343 V N 2.051 121.930 119.914 -0.057 0.000 2.567 343 V HA 0.580 4.700 4.120 0.001 0.000 0.298 343 V C -0.495 175.570 176.094 -0.049 0.000 1.047 343 V CA -0.094 62.177 62.300 -0.047 0.000 0.880 343 V CB 2.119 33.919 31.823 -0.039 0.000 1.009 343 V HN 1.024 nan 8.190 nan 0.000 0.429 344 T N 7.847 122.369 114.554 -0.054 0.000 2.845 344 T HA 0.474 4.824 4.350 0.001 0.000 0.288 344 T C -0.165 174.507 174.700 -0.046 0.000 0.980 344 T CA -0.155 61.907 62.100 -0.063 0.000 1.071 344 T CB 1.074 69.886 68.868 -0.094 0.000 0.941 344 T HN 0.610 nan 8.240 nan 0.000 0.487 345 M N 4.061 123.637 119.600 -0.041 0.000 2.044 345 M HA 0.395 4.876 4.480 0.001 0.000 0.333 345 M C -0.645 175.637 176.300 -0.030 0.000 1.004 345 M CA -0.654 54.631 55.300 -0.025 0.000 0.954 345 M CB 0.771 33.360 32.600 -0.018 0.000 1.468 345 M HN 0.476 nan 8.290 nan 0.000 0.414 346 L N 5.979 127.191 121.223 -0.018 0.000 2.416 346 L HA 0.363 4.703 4.340 0.001 0.000 0.272 346 L C -1.057 175.819 176.870 0.010 0.000 1.161 346 L CA 0.184 55.020 54.840 -0.006 0.000 0.845 346 L CB 0.462 42.547 42.059 0.043 0.000 1.119 346 L HN 0.668 nan 8.230 nan 0.000 0.464 347 I N 5.254 125.828 120.570 0.008 0.000 2.517 347 I HA 0.367 4.538 4.170 0.001 0.000 0.280 347 I C -0.671 175.455 176.117 0.016 0.000 1.061 347 I CA -0.596 60.709 61.300 0.007 0.000 1.091 347 I CB 1.103 39.102 38.000 -0.002 0.000 1.205 347 I HN 0.475 nan 8.210 nan 0.000 0.459 348 R N 4.010 124.523 120.500 0.022 0.000 2.460 348 R HA 0.881 5.221 4.340 0.001 0.000 0.303 348 R C 0.066 176.377 176.300 0.019 0.000 0.968 348 R CA -0.643 55.473 56.100 0.025 0.000 0.889 348 R CB 2.380 32.699 30.300 0.032 0.000 1.123 348 R HN 0.829 nan 8.270 nan 0.000 0.455 349 G N -0.258 108.553 108.800 0.018 0.000 2.664 349 G HA2 0.176 4.136 3.960 0.001 0.000 0.303 349 G HA3 0.176 4.136 3.960 0.001 0.000 0.303 349 G C 0.386 175.296 174.900 0.017 0.000 1.243 349 G CA -0.004 45.107 45.100 0.017 0.000 0.826 349 G HN 0.393 nan 8.290 nan 0.000 0.498 350 T N -2.870 111.696 114.554 0.020 0.000 2.866 350 T HA 0.290 4.640 4.350 0.001 0.000 0.250 350 T C 1.373 176.087 174.700 0.023 0.000 1.033 350 T CA 2.017 64.130 62.100 0.022 0.000 1.145 350 T CB -0.098 68.787 68.868 0.028 0.000 0.866 350 T HN 0.693 nan 8.240 nan 0.000 0.434 351 T N 0.054 114.621 114.554 0.022 0.000 2.602 351 T HA 0.317 4.668 4.350 0.001 0.000 0.235 351 T C 0.660 175.348 174.700 -0.020 0.000 0.882 351 T CA 0.001 62.104 62.100 0.005 0.000 1.123 351 T CB 1.048 69.920 68.868 0.006 0.000 1.662 351 T HN 0.290 nan 8.240 nan 0.000 0.536 352 E N 0.297 120.457 120.200 -0.065 0.000 2.136 352 E HA -0.264 4.086 4.350 0.001 0.000 0.208 352 E C 1.746 178.246 176.600 -0.167 0.000 1.035 352 E CA 2.425 58.737 56.400 -0.147 0.000 0.838 352 E CB -0.528 29.082 29.700 -0.150 0.000 0.748 352 E HN 0.635 nan 8.360 nan 0.000 0.459 353 H N -0.493 118.579 119.070 0.004 0.000 2.307 353 H HA 0.025 4.582 4.556 0.001 0.000 0.303 353 H C 2.136 177.466 175.328 0.004 0.000 1.073 353 H CA 1.336 57.386 56.048 0.004 0.000 1.338 353 H CB -0.068 29.697 29.762 0.004 0.000 1.389 353 H HN -0.037 nan 8.280 nan 0.000 0.503 354 V N 1.111 121.094 119.914 0.116 0.000 2.392 354 V HA -0.264 3.856 4.120 0.001 0.000 0.249 354 V C 2.234 178.351 176.094 0.039 0.000 1.059 354 V CA 1.770 64.110 62.300 0.066 0.000 1.051 354 V CB -0.546 31.306 31.823 0.049 0.000 0.658 354 V HN 0.399 nan 8.190 nan 0.000 0.455 355 I N -0.086 120.496 120.570 0.020 0.000 2.133 355 I HA -0.212 3.959 4.170 0.001 0.000 0.238 355 I C 2.526 178.645 176.117 0.004 0.000 1.074 355 I CA 1.649 62.952 61.300 0.006 0.000 1.342 355 I CB -0.674 37.320 38.000 -0.011 0.000 1.053 355 I HN 0.320 nan 8.210 nan 0.000 0.404 356 E N 0.556 120.754 120.200 -0.003 0.000 2.273 356 E HA -0.293 4.057 4.350 0.001 0.000 0.198 356 E C 1.906 178.523 176.600 0.028 0.000 1.002 356 E CA 1.307 57.708 56.400 0.003 0.000 0.828 356 E CB -0.080 29.607 29.700 -0.021 0.000 0.747 356 E HN 0.405 nan 8.360 nan 0.000 0.491 357 E N 0.352 120.579 120.200 0.045 0.000 2.158 357 E HA -0.105 4.245 4.350 0.001 0.000 0.191 357 E C 1.872 178.488 176.600 0.026 0.000 0.982 357 E CA 0.699 57.124 56.400 0.043 0.000 0.823 357 E CB 0.158 29.888 29.700 0.049 0.000 0.766 357 E HN 0.072 nan 8.360 nan 0.000 0.468 358 V N 0.858 120.784 119.914 0.020 0.000 2.720 358 V HA -0.162 3.958 4.120 0.001 0.000 0.256 358 V C 2.365 178.462 176.094 0.005 0.000 1.082 358 V CA 1.478 63.785 62.300 0.012 0.000 1.101 358 V CB -1.120 30.710 31.823 0.011 0.000 0.693 358 V HN 0.395 nan 8.190 nan 0.000 0.479 359 A N 0.534 123.355 122.820 0.003 0.000 1.898 359 A HA -0.153 4.168 4.320 0.001 0.000 0.216 359 A C 2.482 180.066 177.584 0.000 0.000 1.181 359 A CA 1.656 53.691 52.037 -0.003 0.000 0.620 359 A CB -0.367 18.626 19.000 -0.012 0.000 0.819 359 A HN 0.508 nan 8.150 nan 0.000 0.442 360 R N -0.635 119.869 120.500 0.007 0.000 2.055 360 R HA 0.074 4.415 4.340 0.001 0.000 0.226 360 R C 2.207 178.511 176.300 0.008 0.000 1.135 360 R CA 1.031 57.136 56.100 0.009 0.000 0.959 360 R CB -0.421 29.887 30.300 0.014 0.000 0.854 360 R HN 0.427 nan 8.270 nan 0.000 0.431 361 A N 0.742 123.569 122.820 0.010 0.000 2.264 361 A HA -0.032 4.288 4.320 0.001 0.000 0.207 361 A C 1.848 179.435 177.584 0.006 0.000 1.196 361 A CA 0.819 52.862 52.037 0.010 0.000 0.778 361 A CB -0.172 18.836 19.000 0.014 0.000 0.779 361 A HN 0.248 nan 8.150 nan 0.000 0.483 362 V N -1.898 118.018 119.914 0.003 0.000 3.212 362 V HA 0.045 4.166 4.120 0.001 0.000 0.244 362 V C 1.466 177.558 176.094 -0.003 0.000 1.151 362 V CA 1.579 63.879 62.300 -0.001 0.000 1.119 362 V CB 0.076 31.897 31.823 -0.003 0.000 0.838 362 V HN 0.364 nan 8.190 nan 0.000 0.470 363 D N 0.408 120.806 120.400 -0.003 0.000 2.162 363 D HA -0.061 4.579 4.640 0.001 0.000 0.205 363 D C 1.805 178.103 176.300 -0.003 0.000 0.964 363 D CA 1.445 55.442 54.000 -0.005 0.000 0.847 363 D CB -0.103 40.693 40.800 -0.006 0.000 0.988 363 D HN 0.497 nan 8.370 nan 0.000 0.480 364 D N 0.976 121.376 120.400 -0.000 0.000 2.097 364 D HA -0.141 4.500 4.640 0.001 0.000 0.195 364 D C 2.015 178.316 176.300 0.001 0.000 0.989 364 D CA 1.256 55.257 54.000 0.001 0.000 0.827 364 D CB -0.234 40.568 40.800 0.003 0.000 0.966 364 D HN 0.102 nan 8.370 nan 0.000 0.456 365 A N 1.128 123.949 122.820 0.002 0.000 1.896 365 A HA -0.225 4.096 4.320 0.001 0.000 0.220 365 A C 2.537 180.121 177.584 -0.001 0.000 1.206 365 A CA 1.957 53.995 52.037 0.002 0.000 0.647 365 A CB -0.999 18.003 19.000 0.003 0.000 0.828 365 A HN 0.192 nan 8.150 nan 0.000 0.455 366 V N -0.546 119.366 119.914 -0.003 0.000 3.141 366 V HA -0.066 4.054 4.120 0.001 0.000 0.265 366 V C 2.439 178.530 176.094 -0.005 0.000 1.126 366 V CA 1.590 63.887 62.300 -0.006 0.000 1.141 366 V CB -0.798 31.019 31.823 -0.009 0.000 0.743 366 V HN 0.670 nan 8.190 nan 0.000 0.492 367 G N 0.232 109.030 108.800 -0.003 0.000 2.490 367 G HA2 -0.083 3.877 3.960 0.001 0.000 0.211 367 G HA3 -0.083 3.877 3.960 0.001 0.000 0.211 367 G C 1.649 176.548 174.900 -0.001 0.000 1.159 367 G CA 0.976 46.075 45.100 -0.003 0.000 0.819 367 G HN 0.482 nan 8.290 nan 0.000 0.539 368 V N -0.788 119.126 119.914 0.000 0.000 2.427 368 V HA -0.040 4.080 4.120 0.001 0.000 0.248 368 V C 2.457 178.551 176.094 0.001 0.000 1.051 368 V CA 1.716 64.017 62.300 0.001 0.000 1.048 368 V CB -0.512 31.312 31.823 0.003 0.000 0.666 368 V HN 0.106 nan 8.190 nan 0.000 0.456 369 V N 1.795 121.709 119.914 0.000 0.000 2.667 369 V HA 0.084 4.204 4.120 0.001 0.000 0.252 369 V C 2.614 178.707 176.094 -0.002 0.000 1.065 369 V CA 1.908 64.208 62.300 -0.000 0.000 1.083 369 V CB -0.659 31.164 31.823 -0.000 0.000 0.692 369 V HN 0.638 nan 8.190 nan 0.000 0.468 370 G N -0.985 107.813 108.800 -0.003 0.000 2.450 370 G HA2 -0.275 3.685 3.960 0.001 0.000 0.220 370 G HA3 -0.275 3.685 3.960 0.001 0.000 0.220 370 G C 1.593 176.492 174.900 -0.002 0.000 1.130 370 G CA 1.412 46.510 45.100 -0.003 0.000 0.760 370 G HN 0.612 nan 8.290 nan 0.000 0.557 371 C N 0.666 119.966 119.300 -0.001 0.000 2.505 371 C HA 0.044 4.505 4.460 0.001 0.000 0.279 371 C C 3.389 178.379 174.990 0.000 0.000 1.316 371 C CA 1.218 60.236 59.018 0.000 0.000 1.720 371 C CB -0.844 26.897 27.740 0.001 0.000 2.050 371 C HN 0.628 nan 8.230 nan 0.000 0.493 372 T N 1.260 115.814 114.554 0.001 0.000 2.714 372 T HA -0.227 4.123 4.350 0.001 0.000 0.268 372 T C 1.555 176.255 174.700 0.000 0.000 1.036 372 T CA 2.024 64.124 62.100 0.001 0.000 1.148 372 T CB -0.579 68.290 68.868 0.002 0.000 0.856 372 T HN 0.359 nan 8.240 nan 0.000 0.462 373 I N 1.857 122.427 120.570 -0.001 0.000 2.099 373 I HA -0.121 4.049 4.170 0.001 0.000 0.239 373 I C 2.603 178.719 176.117 -0.001 0.000 1.066 373 I CA 2.005 63.304 61.300 -0.001 0.000 1.324 373 I CB -1.176 36.823 38.000 -0.002 0.000 1.037 373 I HN 0.522 nan 8.210 nan 0.000 0.401 374 E N -0.720 119.480 120.200 -0.001 0.000 2.364 374 E HA 0.033 4.383 4.350 0.001 0.000 0.196 374 E C 0.348 176.947 176.600 -0.000 0.000 0.990 374 E CA 0.042 56.442 56.400 -0.001 0.000 0.886 374 E CB 0.640 30.339 29.700 -0.001 0.000 0.866 374 E HN 0.351 nan 8.360 nan 0.000 0.493 375 D N -0.924 119.476 120.400 -0.000 0.000 2.481 375 D HA 0.263 4.903 4.640 0.001 0.000 0.244 375 D C 0.787 177.088 176.300 0.001 0.000 1.057 375 D CA 0.359 54.359 54.000 0.000 0.000 0.848 375 D CB 1.800 42.600 40.800 0.000 0.000 1.388 375 D HN 0.134 nan 8.370 nan 0.000 0.475 376 G N 3.907 112.707 108.800 0.001 0.000 4.011 376 G HA2 -0.315 3.646 3.960 0.001 0.000 0.348 376 G HA3 -0.315 3.646 3.960 0.001 0.000 0.348 376 G C 0.422 175.323 174.900 0.002 0.000 1.310 376 G CA 1.126 46.227 45.100 0.001 0.000 1.056 376 G HN 0.720 nan 8.290 nan 0.000 0.728 377 R N 0.159 120.661 120.500 0.002 0.000 2.678 377 R HA 0.459 4.799 4.340 0.001 0.000 0.267 377 R C -0.136 176.167 176.300 0.005 0.000 1.173 377 R CA -0.316 55.786 56.100 0.004 0.000 1.061 377 R CB 0.464 30.766 30.300 0.003 0.000 1.262 377 R HN 0.949 nan 8.270 nan 0.000 0.427 378 I N 0.699 121.273 120.570 0.007 0.000 2.783 378 I HA 0.722 4.893 4.170 0.001 0.000 0.312 378 I C -0.821 175.303 176.117 0.012 0.000 0.988 378 I CA -1.074 60.231 61.300 0.009 0.000 1.182 378 I CB 1.874 39.880 38.000 0.009 0.000 1.368 378 I HN 0.273 nan 8.210 nan 0.000 0.511 379 V N 2.338 122.261 119.914 0.015 0.000 2.577 379 V HA 0.236 4.356 4.120 0.001 0.000 0.303 379 V C 0.044 176.154 176.094 0.027 0.000 1.042 379 V CA -0.458 61.855 62.300 0.022 0.000 0.872 379 V CB 2.273 34.109 31.823 0.022 0.000 0.998 379 V HN 0.922 nan 8.190 nan 0.000 0.423 380 S N 4.976 120.700 115.700 0.040 0.000 2.946 380 S HA 0.148 4.618 4.470 0.001 0.000 0.349 380 S C 0.678 175.304 174.600 0.043 0.000 1.189 380 S CA 0.331 58.560 58.200 0.049 0.000 1.285 380 S CB 0.017 63.269 63.200 0.088 0.000 1.010 380 S HN 1.063 nan 8.310 nan 0.000 0.538 381 G N 1.434 110.250 108.800 0.027 0.000 2.599 381 G HA2 0.502 4.462 3.960 0.001 0.000 0.264 381 G HA3 0.502 4.462 3.960 0.001 0.000 0.264 381 G C 0.923 175.833 174.900 0.016 0.000 1.200 381 G CA -0.322 44.788 45.100 0.017 0.000 0.896 381 G HN 1.515 nan 8.290 nan 0.000 0.536 382 G N -1.780 107.021 108.800 0.002 0.000 2.149 382 G HA2 0.285 4.245 3.960 0.001 0.000 0.235 382 G HA3 0.285 4.245 3.960 0.001 0.000 0.235 382 G C 1.200 176.098 174.900 -0.003 0.000 1.018 382 G CA 0.820 45.916 45.100 -0.008 0.000 0.728 382 G HN 2.579 nan 8.290 nan 0.000 0.508 383 G N -1.484 107.313 108.800 -0.004 0.000 2.225 383 G HA2 -0.055 3.905 3.960 0.001 0.000 0.264 383 G HA3 -0.055 3.905 3.960 0.001 0.000 0.264 383 G C 1.140 176.035 174.900 -0.008 0.000 1.060 383 G CA 1.060 46.150 45.100 -0.017 0.000 0.833 383 G HN 1.467 nan 8.290 nan 0.000 0.498 384 S N -1.005 114.721 115.700 0.042 0.000 2.377 384 S HA -0.015 4.455 4.470 0.001 0.000 0.223 384 S C 2.503 177.046 174.600 -0.096 0.000 1.030 384 S CA 1.946 60.234 58.200 0.147 0.000 0.970 384 S CB -0.083 63.322 63.200 0.342 0.000 0.830 384 S HN 0.639 nan 8.310 nan 0.000 0.473 385 T N 2.466 116.995 114.554 -0.042 0.000 2.995 385 T HA 0.000 4.351 4.350 0.001 0.000 0.269 385 T C 1.602 176.238 174.700 -0.106 0.000 1.091 385 T CA 0.734 62.792 62.100 -0.070 0.000 1.128 385 T CB -0.082 68.778 68.868 -0.013 0.000 0.891 385 T HN 0.430 nan 8.240 nan 0.000 0.492 386 E N 1.660 121.799 120.200 -0.103 0.000 2.042 386 E HA -0.042 4.308 4.350 0.001 0.000 0.189 386 E C 2.710 179.247 176.600 -0.105 0.000 0.974 386 E CA 0.995 57.344 56.400 -0.085 0.000 0.806 386 E CB -1.345 28.314 29.700 -0.069 0.000 0.769 386 E HN 0.517 nan 8.360 nan 0.000 0.451 387 V N 0.728 120.562 119.914 -0.134 0.000 2.370 387 V HA -0.316 3.804 4.120 0.001 0.000 0.252 387 V C 2.365 178.349 176.094 -0.183 0.000 1.068 387 V CA 2.502 64.714 62.300 -0.147 0.000 1.061 387 V CB -0.859 30.883 31.823 -0.135 0.000 0.656 387 V HN 0.133 nan 8.190 nan 0.000 0.455 388 E N 0.304 120.314 120.200 -0.317 0.000 2.046 388 E HA -0.133 4.218 4.350 0.001 0.000 0.190 388 E C 1.949 178.480 176.600 -0.116 0.000 0.982 388 E CA 1.158 57.392 56.400 -0.277 0.000 0.800 388 E CB -0.340 29.104 29.700 -0.427 0.000 0.756 388 E HN 0.438 nan 8.360 nan 0.000 0.449 389 L N 0.822 121.986 121.223 -0.100 0.000 2.187 389 L HA -0.158 4.183 4.340 0.001 0.000 0.213 389 L C 2.407 179.260 176.870 -0.028 0.000 1.100 389 L CA 1.933 56.745 54.840 -0.047 0.000 0.765 389 L CB -1.269 40.771 42.059 -0.031 0.000 0.904 389 L HN 0.253 nan 8.230 nan 0.000 0.437 390 S N 0.128 115.802 115.700 -0.043 0.000 2.335 390 S HA -0.220 4.250 4.470 0.001 0.000 0.216 390 S C 1.975 176.571 174.600 -0.005 0.000 1.032 390 S CA 1.610 59.796 58.200 -0.023 0.000 1.000 390 S CB -0.212 62.964 63.200 -0.040 0.000 0.928 390 S HN 0.522 nan 8.310 nan 0.000 0.434 391 M N -0.544 119.047 119.600 -0.015 0.000 2.632 391 M HA 0.145 4.626 4.480 0.001 0.000 0.256 391 M C 1.601 177.911 176.300 0.016 0.000 1.080 391 M CA 1.231 56.533 55.300 0.003 0.000 1.084 391 M CB -0.397 32.204 32.600 0.002 0.000 1.439 391 M HN 0.215 nan 8.290 nan 0.000 0.509 392 K N 0.835 121.245 120.400 0.016 0.000 2.350 392 K HA 0.268 4.588 4.320 0.001 0.000 0.196 392 K C 1.737 178.379 176.600 0.069 0.000 1.084 392 K CA 0.292 56.598 56.287 0.032 0.000 0.967 392 K CB 0.351 32.856 32.500 0.010 0.000 0.950 392 K HN 0.309 nan 8.250 nan 0.000 0.512 393 L N 0.836 122.096 121.223 0.061 0.000 2.418 393 L HA 0.040 4.380 4.340 0.001 0.000 0.218 393 L C 2.429 179.389 176.870 0.149 0.000 1.125 393 L CA 0.613 55.528 54.840 0.125 0.000 0.835 393 L CB -0.150 41.941 42.059 0.054 0.000 0.953 393 L HN 0.090 nan 8.230 nan 0.000 0.454 394 R N 0.561 121.108 120.500 0.078 0.000 2.119 394 R HA -0.103 4.238 4.340 0.001 0.000 0.222 394 R C 1.922 178.247 176.300 0.041 0.000 1.088 394 R CA 1.026 57.155 56.100 0.049 0.000 0.984 394 R CB -0.014 30.303 30.300 0.028 0.000 0.884 394 R HN 0.366 nan 8.270 nan 0.000 0.447 395 E N 0.063 120.296 120.200 0.056 0.000 2.077 395 E HA -0.268 4.083 4.350 0.001 0.000 0.193 395 E C 1.710 178.344 176.600 0.057 0.000 0.989 395 E CA 1.133 57.562 56.400 0.048 0.000 0.800 395 E CB -0.649 29.074 29.700 0.038 0.000 0.746 395 E HN 0.375 nan 8.360 nan 0.000 0.452 396 Y N 2.147 122.441 120.300 -0.011 0.000 2.108 396 Y HA -0.390 4.160 4.550 0.001 0.000 0.274 396 Y C 2.458 178.349 175.900 -0.014 0.000 1.229 396 Y CA 2.148 60.239 58.100 -0.016 0.000 1.129 396 Y CB -0.584 37.862 38.460 -0.024 0.000 0.946 396 Y HN 0.071 nan 8.280 nan 0.000 0.509 397 A N -0.383 122.325 122.820 -0.188 0.000 1.929 397 A HA -0.137 4.184 4.320 0.001 0.000 0.216 397 A C 2.060 179.528 177.584 -0.193 0.000 1.176 397 A CA 1.427 53.331 52.037 -0.221 0.000 0.628 397 A CB -0.682 18.273 19.000 -0.075 0.000 0.816 397 A HN 0.627 nan 8.150 nan 0.000 0.444 398 E N -0.328 119.798 120.200 -0.123 0.000 2.331 398 E HA -0.115 4.236 4.350 0.001 0.000 0.199 398 E C 1.951 178.479 176.600 -0.121 0.000 1.008 398 E CA 0.421 56.764 56.400 -0.095 0.000 0.843 398 E CB -0.274 29.397 29.700 -0.049 0.000 0.761 398 E HN 0.649 nan 8.360 nan 0.000 0.507 399 G N 2.045 110.721 108.800 -0.207 0.000 2.480 399 G HA2 -0.285 3.676 3.960 0.001 0.000 0.216 399 G HA3 -0.285 3.676 3.960 0.001 0.000 0.216 399 G C 1.660 176.435 174.900 -0.207 0.000 1.200 399 G CA 1.208 46.167 45.100 -0.234 0.000 0.782 399 G HN 0.393 nan 8.290 nan 0.000 0.554 400 I N 0.030 120.429 120.570 -0.285 0.000 2.546 400 I HA 0.116 4.286 4.170 0.001 0.000 0.255 400 I C 1.857 177.908 176.117 -0.109 0.000 1.163 400 I CA 0.575 61.742 61.300 -0.222 0.000 1.457 400 I CB -0.662 37.165 38.000 -0.289 0.000 1.092 400 I HN 0.182 nan 8.210 nan 0.000 0.434 401 S N 0.854 116.503 115.700 -0.086 0.000 2.586 401 S HA 0.385 4.856 4.470 0.001 0.000 0.256 401 S C 0.595 175.175 174.600 -0.034 0.000 1.392 401 S CA 0.621 58.786 58.200 -0.059 0.000 0.983 401 S CB 0.067 63.240 63.200 -0.045 0.000 0.897 401 S HN 1.106 nan 8.310 nan 0.000 0.566 402 G N 1.734 110.522 108.800 -0.020 0.000 2.301 402 G HA2 -0.108 3.852 3.960 0.001 0.000 0.194 402 G HA3 -0.108 3.852 3.960 0.001 0.000 0.194 402 G C 0.225 175.127 174.900 0.004 0.000 1.266 402 G CA 0.021 45.118 45.100 -0.006 0.000 1.210 402 G HN 0.963 nan 8.290 nan 0.000 0.524 403 R N 0.678 121.185 120.500 0.011 0.000 2.200 403 R HA 0.267 4.607 4.340 0.001 0.000 0.208 403 R C 1.769 178.093 176.300 0.039 0.000 1.033 403 R CA 1.750 57.863 56.100 0.023 0.000 1.000 403 R CB -0.198 30.115 30.300 0.022 0.000 0.906 403 R HN 0.400 nan 8.270 nan 0.000 0.462 404 E N 1.708 121.928 120.200 0.033 0.000 2.268 404 E HA -0.204 4.146 4.350 0.001 0.000 0.195 404 E C 1.874 178.499 176.600 0.041 0.000 0.995 404 E CA 1.031 57.464 56.400 0.054 0.000 0.836 404 E CB -0.167 29.558 29.700 0.042 0.000 0.763 404 E HN 0.480 nan 8.360 nan 0.000 0.491 405 Q N 0.235 120.038 119.800 0.005 0.000 2.112 405 Q HA -0.202 4.139 4.340 0.001 0.000 0.206 405 Q C 1.180 177.197 176.000 0.028 0.000 0.987 405 Q CA 1.436 57.230 55.803 -0.015 0.000 0.858 405 Q CB 0.036 28.763 28.738 -0.019 0.000 0.905 405 Q HN 0.325 nan 8.270 nan 0.000 0.420 406 L N -0.343 120.917 121.223 0.061 0.000 2.640 406 L HA 0.270 4.610 4.340 0.001 0.000 0.230 406 L C 1.883 178.850 176.870 0.163 0.000 1.123 406 L CA 0.515 55.403 54.840 0.080 0.000 0.900 406 L CB -0.038 42.056 42.059 0.058 0.000 1.146 406 L HN 0.144 nan 8.230 nan 0.000 0.484 407 A N 0.837 123.809 122.820 0.253 0.000 1.828 407 A HA -0.175 4.145 4.320 0.001 0.000 0.215 407 A C 2.341 180.013 177.584 0.146 0.000 1.203 407 A CA 2.274 54.664 52.037 0.589 0.000 0.614 407 A CB -1.138 18.185 19.000 0.537 0.000 0.844 407 A HN 0.231 nan 8.150 nan 0.000 0.445 408 V N -1.443 118.499 119.914 0.048 0.000 2.568 408 V HA -0.232 3.888 4.120 0.001 0.000 0.253 408 V C 2.192 178.286 176.094 -0.000 0.000 1.072 408 V CA 2.383 64.662 62.300 -0.036 0.000 1.084 408 V CB -0.974 30.883 31.823 0.056 0.000 0.676 408 V HN 0.513 nan 8.190 nan 0.000 0.469 409 R N 0.733 121.248 120.500 0.026 0.000 2.066 409 R HA 0.108 4.449 4.340 0.001 0.000 0.232 409 R C 2.532 178.848 176.300 0.027 0.000 1.131 409 R CA 1.580 57.698 56.100 0.030 0.000 0.955 409 R CB -0.652 29.667 30.300 0.032 0.000 0.851 409 R HN 0.621 nan 8.270 nan 0.000 0.432 410 A N -0.252 122.590 122.820 0.037 0.000 2.066 410 A HA -0.110 4.210 4.320 0.001 0.000 0.218 410 A C 1.664 179.242 177.584 -0.009 0.000 1.157 410 A CA 0.724 52.790 52.037 0.048 0.000 0.670 410 A CB -0.275 18.814 19.000 0.148 0.000 0.804 410 A HN 0.358 nan 8.150 nan 0.000 0.453 411 F N -0.093 119.669 119.950 -0.313 0.000 2.776 411 F HA 0.402 4.929 4.527 0.001 0.000 0.300 411 F C 2.071 177.761 175.800 -0.183 0.000 1.116 411 F CA 0.026 57.818 58.000 -0.346 0.000 1.375 411 F CB -0.108 38.471 39.000 -0.703 0.000 1.109 411 F HN 0.225 nan 8.300 nan 0.000 0.585 412 A N -0.251 122.610 122.820 0.068 0.000 1.835 412 A HA -0.096 4.224 4.320 0.001 0.000 0.213 412 A C 1.997 179.572 177.584 -0.015 0.000 1.210 412 A CA 1.587 53.646 52.037 0.037 0.000 0.605 412 A CB -0.958 18.063 19.000 0.034 0.000 0.860 412 A HN 0.231 nan 8.150 nan 0.000 0.447 413 D N -0.241 120.152 120.400 -0.012 0.000 2.350 413 D HA 0.085 4.726 4.640 0.001 0.000 0.216 413 D C 1.909 178.182 176.300 -0.045 0.000 0.968 413 D CA 1.002 54.990 54.000 -0.021 0.000 0.894 413 D CB 0.077 40.873 40.800 -0.007 0.000 0.909 413 D HN 0.377 nan 8.370 nan 0.000 0.520 414 A N 0.259 123.033 122.820 -0.077 0.000 1.935 414 A HA -0.004 4.316 4.320 0.001 0.000 0.214 414 A C 2.174 179.666 177.584 -0.153 0.000 1.178 414 A CA 0.109 52.072 52.037 -0.125 0.000 0.640 414 A CB -0.595 18.318 19.000 -0.146 0.000 0.825 414 A HN 0.254 nan 8.150 nan 0.000 0.447 415 L N -0.479 120.643 121.223 -0.169 0.000 2.624 415 L HA -0.301 4.039 4.340 0.001 0.000 0.227 415 L C 2.096 178.916 176.870 -0.083 0.000 1.153 415 L CA 1.858 56.627 54.840 -0.118 0.000 0.798 415 L CB -0.572 41.441 42.059 -0.076 0.000 0.915 415 L HN 0.626 nan 8.230 nan 0.000 0.448 416 E N -0.816 119.340 120.200 -0.074 0.000 2.413 416 E HA -0.044 4.306 4.350 0.001 0.000 0.203 416 E C 1.985 178.553 176.600 -0.054 0.000 0.957 416 E CA 0.034 56.400 56.400 -0.056 0.000 0.950 416 E CB 0.446 30.120 29.700 -0.044 0.000 0.957 416 E HN 0.177 nan 8.360 nan 0.000 0.497 417 V N 0.989 120.865 119.914 -0.063 0.000 2.515 417 V HA -0.181 3.940 4.120 0.001 0.000 0.250 417 V C 1.855 177.917 176.094 -0.053 0.000 1.058 417 V CA 1.010 63.277 62.300 -0.055 0.000 1.064 417 V CB -0.282 31.505 31.823 -0.059 0.000 0.675 417 V HN 0.333 nan 8.190 nan 0.000 0.461 418 I N 1.063 121.597 120.570 -0.060 0.000 2.076 418 I HA -0.091 4.079 4.170 0.001 0.000 0.237 418 I C 0.114 176.202 176.117 -0.048 0.000 1.059 418 I CA 1.978 63.245 61.300 -0.055 0.000 1.317 418 I CB -2.722 35.244 38.000 -0.056 0.000 1.037 418 I HN 0.338 nan 8.210 nan 0.000 0.398 419 P HA -0.094 nan 4.420 nan 0.000 0.223 419 P C 1.797 179.074 177.300 -0.039 0.000 1.151 419 P CA 1.251 64.326 63.100 -0.042 0.000 0.787 419 P CB -0.166 31.510 31.700 -0.040 0.000 0.788 420 R N -0.327 120.151 120.500 -0.038 0.000 2.061 420 R HA -0.112 4.229 4.340 0.001 0.000 0.230 420 R C 2.428 178.707 176.300 -0.034 0.000 1.140 420 R CA 2.336 58.416 56.100 -0.034 0.000 0.940 420 R CB -1.132 29.149 30.300 -0.032 0.000 0.839 420 R HN 0.178 nan 8.270 nan 0.000 0.429 421 T N 0.092 114.624 114.554 -0.037 0.000 2.759 421 T HA -0.108 4.243 4.350 0.001 0.000 0.269 421 T C 1.982 176.659 174.700 -0.039 0.000 1.042 421 T CA 1.147 63.225 62.100 -0.036 0.000 1.140 421 T CB -0.201 68.645 68.868 -0.036 0.000 0.864 421 T HN 0.188 nan 8.240 nan 0.000 0.455 422 L N 0.400 121.595 121.223 -0.045 0.000 2.131 422 L HA 0.042 4.383 4.340 0.001 0.000 0.210 422 L C 3.162 179.997 176.870 -0.059 0.000 1.092 422 L CA 1.489 56.296 54.840 -0.056 0.000 0.759 422 L CB -0.730 41.293 42.059 -0.060 0.000 0.903 422 L HN 0.476 nan 8.230 nan 0.000 0.435 423 A N -1.044 121.748 122.820 -0.047 0.000 2.095 423 A HA -0.066 4.255 4.320 0.001 0.000 0.212 423 A C 2.094 179.658 177.584 -0.034 0.000 1.162 423 A CA 0.318 52.329 52.037 -0.043 0.000 0.753 423 A CB -0.057 18.923 19.000 -0.033 0.000 0.840 423 A HN 0.311 nan 8.150 nan 0.000 0.468 424 E N 0.880 121.061 120.200 -0.031 0.000 2.028 424 E HA -0.164 4.187 4.350 0.001 0.000 0.191 424 E C 1.345 177.929 176.600 -0.027 0.000 0.988 424 E CA 1.319 57.703 56.400 -0.026 0.000 0.799 424 E CB -0.164 29.521 29.700 -0.024 0.000 0.755 424 E HN 0.701 nan 8.360 nan 0.000 0.447 425 N N 1.055 119.735 118.700 -0.033 0.000 2.443 425 N HA -0.149 4.591 4.740 0.001 0.000 0.184 425 N C 1.758 177.247 175.510 -0.035 0.000 1.037 425 N CA 0.723 53.753 53.050 -0.033 0.000 0.896 425 N CB -0.167 38.298 38.487 -0.035 0.000 0.959 425 N HN 0.074 nan 8.380 nan 0.000 0.442 426 A N 1.370 124.165 122.820 -0.040 0.000 1.882 426 A HA -0.142 4.178 4.320 0.001 0.000 0.220 426 A C 2.100 179.674 177.584 -0.016 0.000 1.253 426 A CA 3.114 55.132 52.037 -0.032 0.000 0.664 426 A CB -1.190 17.784 19.000 -0.043 0.000 0.838 426 A HN 0.520 nan 8.150 nan 0.000 0.460 427 G N -3.215 105.575 108.800 -0.016 0.000 2.201 427 G HA2 -0.144 3.817 3.960 0.001 0.000 0.212 427 G HA3 -0.144 3.817 3.960 0.001 0.000 0.212 427 G C 0.144 175.038 174.900 -0.010 0.000 0.994 427 G CA 0.154 45.248 45.100 -0.010 0.000 0.644 427 G HN 0.570 nan 8.290 nan 0.000 0.508 428 L N 1.249 122.464 121.223 -0.013 0.000 2.350 428 L HA 0.366 4.707 4.340 0.001 0.000 0.275 428 L C 0.539 177.402 176.870 -0.012 0.000 1.099 428 L CA -0.665 54.168 54.840 -0.011 0.000 0.808 428 L CB 0.869 42.922 42.059 -0.011 0.000 1.149 428 L HN 0.088 nan 8.230 nan 0.000 0.442 429 D N 2.667 123.062 120.400 -0.008 0.000 2.719 429 D HA -0.021 4.619 4.640 0.001 0.000 0.265 429 D C 1.215 177.510 176.300 -0.009 0.000 1.360 429 D CA 0.744 54.740 54.000 -0.007 0.000 1.438 429 D CB 0.432 41.228 40.800 -0.006 0.000 1.158 429 D HN 0.623 nan 8.370 nan 0.000 0.537 430 A N 4.536 127.349 122.820 -0.012 0.000 1.886 430 A HA -0.338 3.983 4.320 0.001 0.000 0.240 430 A C 2.330 179.909 177.584 -0.010 0.000 1.875 430 A CA 1.926 53.955 52.037 -0.013 0.000 0.760 430 A CB -0.984 18.006 19.000 -0.016 0.000 0.849 430 A HN 0.700 nan 8.150 nan 0.000 0.505 431 I N 0.383 120.949 120.570 -0.007 0.000 2.335 431 I HA -0.281 3.889 4.170 0.001 0.000 0.251 431 I C 2.146 178.261 176.117 -0.003 0.000 1.129 431 I CA 2.687 63.983 61.300 -0.006 0.000 1.402 431 I CB -0.909 37.088 38.000 -0.005 0.000 1.069 431 I HN 0.660 nan 8.210 nan 0.000 0.424 432 E N 1.075 121.274 120.200 -0.003 0.000 2.031 432 E HA -0.230 4.121 4.350 0.001 0.000 0.193 432 E C 2.238 178.838 176.600 0.001 0.000 0.994 432 E CA 1.715 58.115 56.400 -0.000 0.000 0.800 432 E CB -0.258 29.442 29.700 0.002 0.000 0.752 432 E HN 0.524 nan 8.360 nan 0.000 0.447 433 I N 0.910 121.479 120.570 -0.001 0.000 2.400 433 I HA -0.167 4.003 4.170 0.001 0.000 0.248 433 I C 2.155 178.273 176.117 0.001 0.000 1.109 433 I CA 0.340 61.640 61.300 0.000 0.000 1.425 433 I CB -0.043 37.955 38.000 -0.004 0.000 1.094 433 I HN 0.101 nan 8.210 nan 0.000 0.425 434 L N 0.498 121.718 121.223 -0.004 0.000 2.127 434 L HA -0.178 4.162 4.340 0.001 0.000 0.211 434 L C 2.603 179.474 176.870 0.001 0.000 1.089 434 L CA 1.650 56.487 54.840 -0.005 0.000 0.757 434 L CB -1.236 40.816 42.059 -0.011 0.000 0.899 434 L HN 0.189 nan 8.230 nan 0.000 0.434 435 V N -0.813 119.103 119.914 0.003 0.000 2.594 435 V HA -0.230 3.890 4.120 0.001 0.000 0.253 435 V C 2.468 178.570 176.094 0.013 0.000 1.069 435 V CA 1.337 63.641 62.300 0.007 0.000 1.082 435 V CB -0.646 31.180 31.823 0.005 0.000 0.680 435 V HN 0.425 nan 8.190 nan 0.000 0.469 436 K N -0.012 120.396 120.400 0.013 0.000 2.044 436 K HA -0.006 4.314 4.320 0.001 0.000 0.204 436 K C 2.153 178.770 176.600 0.029 0.000 1.045 436 K CA 1.104 57.402 56.287 0.018 0.000 0.951 436 K CB -0.211 32.298 32.500 0.015 0.000 0.738 436 K HN 0.317 nan 8.250 nan 0.000 0.443 437 V N 1.596 121.529 119.914 0.033 0.000 2.307 437 V HA -0.215 3.905 4.120 0.001 0.000 0.245 437 V C 2.232 178.374 176.094 0.080 0.000 1.045 437 V CA 1.524 63.859 62.300 0.059 0.000 1.024 437 V CB -0.499 31.352 31.823 0.047 0.000 0.651 437 V HN 0.274 nan 8.190 nan 0.000 0.449 438 R N 0.389 120.914 120.500 0.041 0.000 2.127 438 R HA -0.219 4.122 4.340 0.001 0.000 0.228 438 R C 2.501 178.839 176.300 0.063 0.000 1.125 438 R CA 1.806 57.926 56.100 0.034 0.000 0.904 438 R CB -1.030 29.277 30.300 0.012 0.000 0.831 438 R HN 0.490 nan 8.270 nan 0.000 0.431 439 A N 0.991 123.836 122.820 0.042 0.000 2.023 439 A HA -0.274 4.047 4.320 0.001 0.000 0.223 439 A C 2.278 179.890 177.584 0.047 0.000 1.180 439 A CA 2.213 54.273 52.037 0.039 0.000 0.659 439 A CB -0.747 18.268 19.000 0.025 0.000 0.817 439 A HN 0.558 nan 8.150 nan 0.000 0.466 440 A N -2.650 120.205 122.820 0.059 0.000 2.021 440 A HA 0.036 4.357 4.320 0.001 0.000 0.216 440 A C 1.905 179.521 177.584 0.052 0.000 1.163 440 A CA 1.592 53.655 52.037 0.043 0.000 0.676 440 A CB -0.497 18.521 19.000 0.030 0.000 0.818 440 A HN 0.749 nan 8.150 nan 0.000 0.453 441 H N -1.568 117.503 119.070 0.002 0.000 2.553 441 H HA 0.373 4.929 4.556 0.001 0.000 0.276 441 H C 2.083 177.412 175.328 0.002 0.000 0.979 441 H CA 0.653 56.702 56.048 0.001 0.000 1.268 441 H CB 0.208 29.970 29.762 0.000 0.000 1.450 441 H HN 0.431 nan 8.280 nan 0.000 0.527 442 A N -0.363 122.547 122.820 0.149 0.000 2.178 442 A HA -0.111 4.210 4.320 0.001 0.000 0.218 442 A C 1.957 179.570 177.584 0.049 0.000 1.157 442 A CA 1.679 53.766 52.037 0.084 0.000 0.689 442 A CB -0.224 18.809 19.000 0.055 0.000 0.787 442 A HN 0.393 nan 8.150 nan 0.000 0.465 443 S N -1.012 114.709 115.700 0.035 0.000 2.506 443 S HA 0.026 4.496 4.470 0.001 0.000 0.230 443 S C 1.602 176.198 174.600 -0.007 0.000 1.066 443 S CA 0.812 59.019 58.200 0.012 0.000 0.940 443 S CB -0.147 63.060 63.200 0.011 0.000 0.818 443 S HN 0.752 nan 8.310 nan 0.000 0.518 444 N N 0.141 118.821 118.700 -0.033 0.000 2.454 444 N HA 0.372 5.113 4.740 0.001 0.000 0.177 444 N C 0.277 175.732 175.510 -0.090 0.000 1.049 444 N CA 0.388 53.400 53.050 -0.064 0.000 0.887 444 N CB 0.895 39.331 38.487 -0.084 0.000 1.095 444 N HN 0.390 nan 8.380 nan 0.000 0.446 445 G N 0.436 109.157 108.800 -0.131 0.000 2.308 445 G HA2 -0.075 3.885 3.960 0.001 0.000 0.288 445 G HA3 -0.075 3.885 3.960 0.001 0.000 0.288 445 G C -0.173 174.534 174.900 -0.321 0.000 1.722 445 G CA -0.537 44.461 45.100 -0.171 0.000 0.924 445 G HN 0.177 nan 8.290 nan 0.000 0.732 446 N N 0.937 119.589 118.700 -0.079 0.000 2.089 446 N HA -0.279 4.462 4.740 0.001 0.000 0.198 446 N C 1.520 177.028 175.510 -0.002 0.000 1.017 446 N CA 2.589 55.656 53.050 0.029 0.000 0.880 446 N CB -0.191 38.328 38.487 0.053 0.000 1.042 446 N HN 0.861 nan 8.380 nan 0.000 0.446 447 K N -2.084 118.263 120.400 -0.088 0.000 2.438 447 K HA 0.312 4.633 4.320 0.001 0.000 0.206 447 K C -0.637 175.912 176.600 -0.084 0.000 1.081 447 K CA -0.290 55.964 56.287 -0.054 0.000 1.053 447 K CB 0.204 32.687 32.500 -0.028 0.000 0.908 447 K HN 0.333 nan 8.250 nan 0.000 0.556 448 C N 0.502 119.693 119.300 -0.182 0.000 2.599 448 C HA 0.870 5.331 4.460 0.001 0.000 0.354 448 C C -0.704 174.151 174.990 -0.225 0.000 1.092 448 C CA 0.205 59.125 59.018 -0.163 0.000 1.280 448 C CB 0.600 28.291 27.740 -0.081 0.000 1.829 448 C HN 0.498 nan 8.230 nan 0.000 0.454 449 A N 3.582 126.353 122.820 -0.082 0.000 2.130 449 A HA 0.540 4.861 4.320 0.001 0.000 0.228 449 A C 0.252 177.942 177.584 0.177 0.000 2.820 449 A CA 0.474 52.534 52.037 0.039 0.000 1.926 449 A CB -1.065 17.978 19.000 0.071 0.000 0.309 449 A HN 1.925 nan 8.150 nan 0.000 0.825 450 G N -0.383 108.464 108.800 0.079 0.000 3.345 450 G HA2 0.617 4.578 3.960 0.001 0.000 0.202 450 G HA3 0.617 4.578 3.960 0.001 0.000 0.202 450 G C 0.077 174.997 174.900 0.034 0.000 1.740 450 G CA 0.335 45.473 45.100 0.062 0.000 0.806 450 G HN 0.993 nan 8.290 nan 0.000 0.718 451 L N -0.555 120.674 121.223 0.011 0.000 3.607 451 L HA 0.234 4.574 4.340 0.001 0.000 0.397 451 L C -0.441 176.405 176.870 -0.041 0.000 1.225 451 L CA -0.678 54.154 54.840 -0.013 0.000 1.188 451 L CB -0.850 41.199 42.059 -0.017 0.000 1.299 451 L HN 0.362 nan 8.230 nan 0.000 0.559 452 N N 1.193 119.880 118.700 -0.021 0.000 2.417 452 N HA 0.169 4.909 4.740 0.001 0.000 0.272 452 N C 1.542 177.007 175.510 -0.074 0.000 1.304 452 N CA 0.533 53.561 53.050 -0.037 0.000 0.906 452 N CB 1.231 39.753 38.487 0.059 0.000 1.135 452 N HN 0.295 nan 8.380 nan 0.000 0.483 453 V N 2.853 122.627 119.914 -0.233 0.000 2.720 453 V HA -0.111 4.010 4.120 0.001 0.000 0.256 453 V C 1.331 177.319 176.094 -0.176 0.000 1.082 453 V CA 1.334 63.472 62.300 -0.269 0.000 1.101 453 V CB -1.009 30.545 31.823 -0.448 0.000 0.693 453 V HN 0.525 nan 8.190 nan 0.000 0.479 454 F N 1.349 121.299 119.950 0.000 0.000 2.147 454 F HA 0.127 4.655 4.527 0.001 0.000 0.291 454 F C 2.646 178.446 175.800 0.000 0.000 1.093 454 F CA 1.967 59.967 58.000 -0.000 0.000 1.263 454 F CB -1.023 37.977 39.000 0.000 0.000 1.036 454 F HN 0.119 nan 8.300 nan 0.000 0.481 455 T N -1.938 112.734 114.554 0.195 0.000 3.015 455 T HA 0.349 4.699 4.350 0.001 0.000 0.250 455 T C 0.686 175.425 174.700 0.066 0.000 1.057 455 T CA 0.826 62.992 62.100 0.110 0.000 1.066 455 T CB 0.061 68.981 68.868 0.087 0.000 0.959 455 T HN 0.368 nan 8.240 nan 0.000 0.488 456 G N 1.271 110.102 108.800 0.052 0.000 3.030 456 G HA2 0.388 4.348 3.960 0.001 0.000 0.233 456 G HA3 0.388 4.348 3.960 0.001 0.000 0.233 456 G C -0.230 174.682 174.900 0.020 0.000 1.091 456 G CA -0.344 44.771 45.100 0.025 0.000 1.113 456 G HN 0.802 nan 8.290 nan 0.000 0.556 457 A N -0.920 121.911 122.820 0.019 0.000 2.483 457 A HA 0.983 5.304 4.320 0.001 0.000 0.294 457 A C -0.559 177.036 177.584 0.019 0.000 1.077 457 A CA 0.078 52.126 52.037 0.019 0.000 0.633 457 A CB 1.190 20.203 19.000 0.022 0.000 1.318 457 A HN 1.999 nan 8.150 nan 0.000 0.455 458 V N 1.146 121.072 119.914 0.020 0.000 2.407 458 V HA 0.642 4.763 4.120 0.001 0.000 0.278 458 V C -0.494 175.612 176.094 0.020 0.000 1.037 458 V CA -0.173 62.141 62.300 0.024 0.000 0.900 458 V CB 1.055 32.895 31.823 0.028 0.000 0.983 458 V HN 0.816 nan 8.190 nan 0.000 0.459 459 E N 4.143 124.356 120.200 0.022 0.000 2.281 459 E HA 0.355 4.705 4.350 0.001 0.000 0.262 459 E C -1.412 175.192 176.600 0.006 0.000 0.933 459 E CA -0.790 55.622 56.400 0.019 0.000 0.809 459 E CB 2.051 31.771 29.700 0.032 0.000 1.242 459 E HN 0.721 nan 8.360 nan 0.000 0.418 460 D N 1.972 122.372 120.400 0.000 0.000 2.485 460 D HA 0.101 4.741 4.640 0.001 0.000 0.221 460 D C 0.939 177.242 176.300 0.004 0.000 1.112 460 D CA -0.359 53.634 54.000 -0.012 0.000 0.911 460 D CB 0.462 41.253 40.800 -0.015 0.000 1.019 460 D HN 0.261 nan 8.370 nan 0.000 0.516 461 M N 1.722 121.327 119.600 0.009 0.000 2.082 461 M HA -0.192 4.288 4.480 0.001 0.000 0.258 461 M C 2.121 178.430 176.300 0.015 0.000 1.069 461 M CA 0.947 56.259 55.300 0.020 0.000 1.102 461 M CB -1.286 31.329 32.600 0.026 0.000 1.336 461 M HN 0.470 nan 8.290 nan 0.000 0.404 462 C N 0.685 119.989 119.300 0.007 0.000 2.409 462 C HA -0.135 4.325 4.460 0.001 0.000 0.305 462 C C 2.368 177.360 174.990 0.003 0.000 1.488 462 C CA 0.752 59.772 59.018 0.004 0.000 1.765 462 C CB -1.612 26.125 27.740 -0.004 0.000 1.649 462 C HN 0.551 nan 8.230 nan 0.000 0.581 463 E N 0.308 120.510 120.200 0.004 0.000 2.075 463 E HA -0.056 4.295 4.350 0.001 0.000 0.190 463 E C 1.698 178.305 176.600 0.011 0.000 0.969 463 E CA 0.625 57.028 56.400 0.005 0.000 0.815 463 E CB -0.175 29.526 29.700 0.001 0.000 0.776 463 E HN 0.664 nan 8.360 nan 0.000 0.457 464 N N 0.384 119.095 118.700 0.018 0.000 2.443 464 N HA -0.094 4.646 4.740 0.001 0.000 0.184 464 N C 1.112 176.636 175.510 0.023 0.000 1.037 464 N CA 0.432 53.497 53.050 0.025 0.000 0.896 464 N CB -0.079 38.434 38.487 0.044 0.000 0.959 464 N HN 0.200 nan 8.380 nan 0.000 0.442 465 G N 1.436 110.247 108.800 0.019 0.000 2.454 465 G HA2 -0.375 3.586 3.960 0.001 0.000 0.323 465 G HA3 -0.375 3.586 3.960 0.001 0.000 0.323 465 G C 1.061 175.974 174.900 0.022 0.000 0.933 465 G CA 1.025 46.135 45.100 0.017 0.000 0.803 465 G HN 0.622 nan 8.290 nan 0.000 0.511 466 V N -5.518 114.414 119.914 0.031 0.000 1.618 466 V HA -0.385 3.736 4.120 0.001 0.000 0.024 466 V C 1.040 177.149 176.094 0.025 0.000 0.460 466 V CA 2.182 64.502 62.300 0.033 0.000 1.500 466 V CB -2.111 29.740 31.823 0.046 0.000 1.778 466 V HN 1.264 nan 8.190 nan 0.000 0.733 467 V N 1.814 121.740 119.914 0.020 0.000 2.617 467 V HA 0.738 4.858 4.120 0.001 0.000 0.298 467 V C 0.344 176.447 176.094 0.014 0.000 1.048 467 V CA -0.110 62.201 62.300 0.017 0.000 0.964 467 V CB 1.407 33.239 31.823 0.015 0.000 1.004 467 V HN 0.845 nan 8.190 nan 0.000 0.466 468 E N 3.992 124.200 120.200 0.013 0.000 2.355 468 E HA 0.678 5.028 4.350 0.001 0.000 0.261 468 E C -3.031 173.574 176.600 0.009 0.000 0.943 468 E CA -2.555 53.851 56.400 0.010 0.000 0.806 468 E CB 1.686 31.391 29.700 0.008 0.000 1.286 468 E HN 0.371 nan 8.360 nan 0.000 0.424 469 P HA 0.157 nan 4.420 nan 0.000 0.286 469 P C 0.070 177.373 177.300 0.005 0.000 1.261 469 P CA -0.540 62.563 63.100 0.005 0.000 0.821 469 P CB 0.885 32.588 31.700 0.004 0.000 1.013 470 L N 1.801 123.027 121.223 0.005 0.000 2.418 470 L HA 0.055 4.395 4.340 0.001 0.000 0.218 470 L C 2.074 178.946 176.870 0.004 0.000 1.125 470 L CA 0.980 55.822 54.840 0.005 0.000 0.835 470 L CB -0.239 41.823 42.059 0.005 0.000 0.953 470 L HN 0.496 nan 8.230 nan 0.000 0.454 471 R N -0.287 120.215 120.500 0.003 0.000 2.235 471 R HA -0.113 4.228 4.340 0.001 0.000 0.213 471 R C 2.134 178.436 176.300 0.003 0.000 1.059 471 R CA 1.194 57.295 56.100 0.003 0.000 0.997 471 R CB 0.146 30.448 30.300 0.002 0.000 0.884 471 R HN 0.378 nan 8.270 nan 0.000 0.462 472 V N -0.876 119.040 119.914 0.003 0.000 2.535 472 V HA -0.041 4.080 4.120 0.001 0.000 0.246 472 V C 1.991 178.086 176.094 0.003 0.000 1.045 472 V CA 1.543 63.844 62.300 0.003 0.000 1.058 472 V CB -0.098 31.726 31.823 0.002 0.000 0.689 472 V HN 0.052 nan 8.190 nan 0.000 0.461 473 K N 1.901 122.303 120.400 0.003 0.000 2.116 473 K HA -0.043 4.278 4.320 0.001 0.000 0.203 473 K C 2.224 178.828 176.600 0.006 0.000 1.052 473 K CA 2.206 58.495 56.287 0.003 0.000 0.952 473 K CB -0.971 31.531 32.500 0.003 0.000 0.729 473 K HN 0.739 nan 8.250 nan 0.000 0.446 474 T N -1.459 113.099 114.554 0.007 0.000 2.674 474 T HA -0.165 4.185 4.350 0.001 0.000 0.265 474 T C 1.986 176.693 174.700 0.012 0.000 1.039 474 T CA 1.307 63.412 62.100 0.008 0.000 1.150 474 T CB -0.503 68.368 68.868 0.004 0.000 0.864 474 T HN 0.162 nan 8.240 nan 0.000 0.427 475 Q N 1.499 121.305 119.800 0.010 0.000 2.123 475 Q HA 0.305 4.646 4.340 0.001 0.000 0.199 475 Q C 2.354 178.363 176.000 0.014 0.000 0.966 475 Q CA 1.641 57.451 55.803 0.011 0.000 0.845 475 Q CB -0.915 27.828 28.738 0.008 0.000 0.907 475 Q HN 0.724 nan 8.270 nan 0.000 0.439 476 A N -0.213 122.614 122.820 0.011 0.000 2.016 476 A HA -0.021 4.300 4.320 0.001 0.000 0.217 476 A C 1.914 179.508 177.584 0.018 0.000 1.162 476 A CA 0.831 52.875 52.037 0.010 0.000 0.662 476 A CB -0.448 18.553 19.000 0.002 0.000 0.812 476 A HN 0.405 nan 8.150 nan 0.000 0.450 477 I N -0.547 120.040 120.570 0.027 0.000 2.162 477 I HA -0.273 3.898 4.170 0.001 0.000 0.238 477 I C 2.666 178.831 176.117 0.081 0.000 1.076 477 I CA 1.379 62.711 61.300 0.053 0.000 1.353 477 I CB -1.145 36.893 38.000 0.063 0.000 1.063 477 I HN 0.433 nan 8.210 nan 0.000 0.408 478 Q N 0.945 120.779 119.800 0.058 0.000 1.927 478 Q HA -0.210 4.130 4.340 0.001 0.000 0.210 478 Q C 2.389 178.421 176.000 0.053 0.000 1.001 478 Q CA 2.214 58.048 55.803 0.051 0.000 0.862 478 Q CB -0.424 28.332 28.738 0.030 0.000 0.934 478 Q HN 0.283 nan 8.270 nan 0.000 0.420 479 S N -0.229 115.493 115.700 0.037 0.000 2.440 479 S HA -0.129 4.341 4.470 0.001 0.000 0.238 479 S C 1.715 176.338 174.600 0.038 0.000 1.010 479 S CA 0.912 59.131 58.200 0.032 0.000 0.972 479 S CB -0.174 63.039 63.200 0.022 0.000 0.774 479 S HN 0.472 nan 8.310 nan 0.000 0.501 480 A N 0.427 123.273 122.820 0.044 0.000 1.997 480 A HA 0.522 4.843 4.320 0.001 0.000 0.212 480 A C 2.195 179.822 177.584 0.073 0.000 1.178 480 A CA 0.956 53.019 52.037 0.042 0.000 0.698 480 A CB -0.647 18.367 19.000 0.024 0.000 0.842 480 A HN 0.462 nan 8.150 nan 0.000 0.458 481 A N 0.323 123.211 122.820 0.114 0.000 1.872 481 A HA -0.070 4.251 4.320 0.001 0.000 0.214 481 A C 1.657 179.342 177.584 0.169 0.000 1.187 481 A CA 1.316 53.477 52.037 0.208 0.000 0.614 481 A CB -0.352 18.841 19.000 0.322 0.000 0.826 481 A HN 0.509 nan 8.150 nan 0.000 0.442 482 E N -0.083 120.181 120.200 0.108 0.000 2.445 482 E HA 0.063 4.414 4.350 0.001 0.000 0.189 482 E C 1.274 177.909 176.600 0.057 0.000 1.069 482 E CA 0.268 56.713 56.400 0.075 0.000 0.871 482 E CB 0.161 29.891 29.700 0.050 0.000 0.991 482 E HN 0.505 nan 8.360 nan 0.000 0.481 483 S N 0.680 116.415 115.700 0.058 0.000 2.288 483 S HA -0.122 4.349 4.470 0.001 0.000 0.191 483 S C 1.872 176.496 174.600 0.039 0.000 1.028 483 S CA 1.851 60.076 58.200 0.042 0.000 1.030 483 S CB -0.343 62.876 63.200 0.032 0.000 0.932 483 S HN 0.522 nan 8.310 nan 0.000 0.463 484 T N 1.783 116.361 114.554 0.041 0.000 9.723 484 T HA -0.468 3.883 4.350 0.001 0.000 0.319 484 T C 1.481 176.210 174.700 0.048 0.000 1.568 484 T CA 3.212 65.342 62.100 0.050 0.000 1.898 484 T CB -2.412 66.484 68.868 0.047 0.000 2.243 484 T HN 0.829 nan 8.240 nan 0.000 0.682 485 E N 1.601 121.844 120.200 0.072 0.000 2.058 485 E HA -0.133 4.218 4.350 0.001 0.000 0.194 485 E C 2.733 179.338 176.600 0.008 0.000 0.997 485 E CA 1.675 58.100 56.400 0.042 0.000 0.801 485 E CB -0.396 29.347 29.700 0.072 0.000 0.746 485 E HN 0.744 nan 8.360 nan 0.000 0.450 486 M N 0.638 120.248 119.600 0.017 0.000 2.065 486 M HA -0.150 4.330 4.480 0.001 0.000 0.259 486 M C 2.530 178.831 176.300 0.002 0.000 1.071 486 M CA 1.507 56.811 55.300 0.008 0.000 1.109 486 M CB -0.419 32.189 32.600 0.013 0.000 1.313 486 M HN 0.265 nan 8.290 nan 0.000 0.408 487 L N 0.547 121.775 121.223 0.009 0.000 2.357 487 L HA -0.227 4.113 4.340 0.001 0.000 0.220 487 L C 2.259 179.125 176.870 -0.006 0.000 1.123 487 L CA 0.444 55.286 54.840 0.004 0.000 0.782 487 L CB -0.752 41.314 42.059 0.012 0.000 0.910 487 L HN 0.403 nan 8.230 nan 0.000 0.442 488 L N -0.808 120.407 121.223 -0.013 0.000 2.375 488 L HA -0.018 4.322 4.340 0.001 0.000 0.215 488 L C 2.393 179.236 176.870 -0.046 0.000 1.108 488 L CA 1.270 56.090 54.840 -0.032 0.000 0.830 488 L CB -0.688 41.341 42.059 -0.049 0.000 0.959 488 L HN 0.078 nan 8.230 nan 0.000 0.457 489 R N 0.081 120.558 120.500 -0.038 0.000 2.062 489 R HA 0.059 4.400 4.340 0.001 0.000 0.231 489 R C 0.706 176.993 176.300 -0.021 0.000 1.136 489 R CA 0.678 56.756 56.100 -0.037 0.000 0.948 489 R CB -0.415 29.872 30.300 -0.023 0.000 0.845 489 R HN 0.290 nan 8.270 nan 0.000 0.430 490 I N 3.422 123.985 120.570 -0.012 0.000 3.148 490 I HA -0.189 3.981 4.170 0.001 0.000 0.317 490 I C 0.628 176.741 176.117 -0.008 0.000 1.237 490 I CA 0.827 62.123 61.300 -0.007 0.000 1.423 490 I CB 0.051 38.047 38.000 -0.008 0.000 1.352 490 I HN 0.382 nan 8.210 nan 0.000 0.526 491 D N 5.266 125.667 120.400 0.003 0.000 2.673 491 D HA 0.132 4.772 4.640 0.001 0.000 0.278 491 D C -0.492 175.822 176.300 0.023 0.000 1.393 491 D CA -0.223 53.783 54.000 0.010 0.000 0.805 491 D CB 0.363 41.173 40.800 0.017 0.000 1.110 491 D HN 0.539 nan 8.370 nan 0.000 0.476 492 D N 0.086 120.497 120.400 0.018 0.000 2.369 492 D HA 0.160 4.801 4.640 0.001 0.000 0.212 492 D C -1.742 174.565 176.300 0.012 0.000 1.326 492 D CA -0.405 53.607 54.000 0.021 0.000 0.933 492 D CB 1.467 42.275 40.800 0.014 0.000 1.516 492 D HN -0.150 nan 8.370 nan 0.000 0.557 493 V N 5.163 125.091 119.914 0.022 0.000 2.313 493 V HA 0.401 4.521 4.120 0.001 0.000 0.278 493 V C 0.227 176.301 176.094 -0.033 0.000 1.017 493 V CA -0.703 61.596 62.300 -0.001 0.000 0.823 493 V CB 1.171 32.997 31.823 0.005 0.000 1.010 493 V HN 0.499 nan 8.190 nan 0.000 0.443 494 I N 3.957 124.500 120.570 -0.044 0.000 2.297 494 I HA 0.767 4.937 4.170 0.001 0.000 0.291 494 I C 0.320 176.407 176.117 -0.049 0.000 1.033 494 I CA -0.060 61.202 61.300 -0.063 0.000 1.253 494 I CB 0.946 38.917 38.000 -0.048 0.000 1.396 494 I HN 0.587 nan 8.210 nan 0.000 0.476 495 A N 4.920 127.704 122.820 -0.060 0.000 2.454 495 A HA 1.011 5.331 4.320 0.001 0.000 0.302 495 A C -0.484 177.091 177.584 -0.014 0.000 1.079 495 A CA -0.206 51.815 52.037 -0.027 0.000 0.731 495 A CB 2.223 21.219 19.000 -0.006 0.000 1.299 495 A HN 0.944 nan 8.150 nan 0.000 0.413 496 A N 0.337 123.163 122.820 0.010 0.000 2.791 496 A HA 0.843 5.164 4.320 0.001 0.000 0.309 496 A C -0.093 177.506 177.584 0.025 0.000 1.200 496 A CA 0.408 52.452 52.037 0.010 0.000 0.635 496 A CB -0.399 18.601 19.000 0.000 0.000 1.393 496 A HN 1.679 nan 8.150 nan 0.000 0.557 497 E N 0.000 120.211 120.200 0.019 0.000 2.725 497 E HA 0.000 4.350 4.350 0.001 0.000 0.291 497 E CA 0.000 56.411 56.400 0.018 0.000 0.976 497 E CB 0.000 29.707 29.700 0.012 0.000 0.812 497 E HN 0.000 nan 8.360 nan 0.000 0.440