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_P 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 0.000 176.086 176.094 -0.014 0.000 1.182 7 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 7 V CB 0.000 31.817 31.823 -0.011 0.000 1.184 8 L N 3.565 124.778 121.223 -0.017 0.000 2.404 8 L HA 0.667 5.008 4.340 0.000 0.000 0.272 8 L C -2.209 174.650 176.870 -0.018 0.000 0.980 8 L CA -1.141 53.688 54.840 -0.020 0.000 0.836 8 L CB 1.288 43.329 42.059 -0.029 0.000 1.238 8 L HN 0.270 nan 8.230 nan 0.000 0.408 9 P HA 0.466 nan 4.420 nan 0.000 0.314 9 P C -1.211 176.082 177.300 -0.012 0.000 1.306 9 P CA -0.415 62.678 63.100 -0.011 0.000 0.782 9 P CB 1.371 33.067 31.700 -0.008 0.000 1.337 10 E N -0.274 119.921 120.200 -0.009 0.000 6.993 10 E HA -0.239 4.111 4.350 0.000 0.000 0.276 10 E C 0.291 176.887 176.600 -0.007 0.000 1.113 10 E CA 0.772 57.169 56.400 -0.006 0.000 1.400 10 E CB -1.498 28.200 29.700 -0.003 0.000 0.936 10 E HN 0.670 nan 8.360 nan 0.000 0.285 11 N N 0.959 119.656 118.700 -0.004 0.000 2.978 11 N HA -0.351 4.390 4.740 0.000 0.000 0.217 11 N C 0.220 175.723 175.510 -0.012 0.000 0.185 11 N CA 2.022 55.071 53.050 -0.002 0.000 3.809 11 N CB -0.699 37.792 38.487 0.007 0.000 0.981 11 N HN 0.635 nan 8.380 nan 0.000 0.263 12 M N 0.717 120.304 119.600 -0.022 0.000 2.212 12 M HA -0.196 4.284 4.480 0.000 0.000 0.193 12 M C -0.923 175.331 176.300 -0.076 0.000 0.493 12 M CA 1.191 56.464 55.300 -0.044 0.000 0.427 12 M CB -1.089 31.483 32.600 -0.047 0.000 1.120 12 M HN 0.147 nan 8.290 nan 0.000 0.929 13 K N 0.571 120.908 120.400 -0.104 0.000 2.489 13 K HA 0.294 4.614 4.320 0.000 0.000 0.278 13 K C 0.442 176.818 176.600 -0.373 0.000 1.000 13 K CA 0.185 56.322 56.287 -0.250 0.000 1.012 13 K CB 0.511 32.904 32.500 -0.177 0.000 0.903 13 K HN 0.348 nan 8.250 nan 0.000 0.485 14 R N 3.210 123.405 120.500 -0.508 0.000 2.451 14 R HA 0.247 4.587 4.340 0.000 0.000 0.307 14 R C -1.700 174.365 176.300 -0.391 0.000 0.965 14 R CA -0.440 55.432 56.100 -0.379 0.000 0.865 14 R CB 0.663 30.861 30.300 -0.170 0.000 1.174 14 R HN 0.576 nan 8.270 nan 0.000 0.455 15 Y N 5.604 125.921 120.300 0.028 0.000 2.329 15 Y HA 0.357 4.907 4.550 -0.000 0.000 0.328 15 Y C 0.250 176.167 175.900 0.028 0.000 0.992 15 Y CA -1.103 57.014 58.100 0.029 0.000 1.151 15 Y CB 1.805 40.288 38.460 0.038 0.000 1.150 15 Y HN 0.347 nan 8.280 nan 0.000 0.450 16 M N 0.922 120.622 119.600 0.167 0.000 2.753 16 M HA 0.863 5.343 4.480 0.000 0.000 0.299 16 M C 0.904 177.259 176.300 0.093 0.000 1.219 16 M CA -0.272 55.090 55.300 0.103 0.000 0.900 16 M CB 0.914 33.557 32.600 0.072 0.000 1.628 16 M HN 0.753 nan 8.290 nan 0.000 0.502 17 G N 0.818 109.659 108.800 0.068 0.000 2.627 17 G HA2 -0.345 3.615 3.960 0.000 0.000 0.312 17 G HA3 -0.345 3.615 3.960 0.000 0.000 0.312 17 G C 0.741 175.666 174.900 0.042 0.000 1.299 17 G CA 1.067 46.199 45.100 0.053 0.000 0.989 17 G HN 1.028 nan 8.290 nan 0.000 0.547 18 R N 0.321 120.840 120.500 0.032 0.000 2.133 18 R HA -0.198 4.143 4.340 0.000 0.000 0.245 18 R C 2.237 178.536 176.300 -0.001 0.000 1.137 18 R CA 2.868 58.976 56.100 0.014 0.000 0.947 18 R CB -0.784 29.522 30.300 0.011 0.000 0.865 18 R HN 0.650 nan 8.270 nan 0.000 0.437 19 D N -0.183 120.231 120.400 0.024 0.000 2.219 19 D HA -0.089 4.551 4.640 0.000 0.000 0.205 19 D C 1.634 177.882 176.300 -0.087 0.000 0.970 19 D CA 1.249 55.228 54.000 -0.035 0.000 0.851 19 D CB -0.198 40.726 40.800 0.208 0.000 0.943 19 D HN 0.408 nan 8.370 nan 0.000 0.488 20 A N 0.778 123.628 122.820 0.050 0.000 1.832 20 A HA -0.187 4.133 4.320 0.000 0.000 0.214 20 A C 2.147 179.743 177.584 0.019 0.000 1.204 20 A CA 1.223 53.303 52.037 0.072 0.000 0.606 20 A CB -0.751 18.306 19.000 0.094 0.000 0.849 20 A HN 0.104 nan 8.150 nan 0.000 0.445 21 Q N -0.734 119.075 119.800 0.014 0.000 2.096 21 Q HA -0.271 4.069 4.340 0.000 0.000 0.208 21 Q C 2.369 178.364 176.000 -0.008 0.000 0.993 21 Q CA 2.235 58.042 55.803 0.007 0.000 0.862 21 Q CB -0.298 28.440 28.738 -0.000 0.000 0.915 21 Q HN 0.722 nan 8.270 nan 0.000 0.416 22 R N 0.242 120.721 120.500 -0.035 0.000 2.081 22 R HA -0.134 4.206 4.340 0.000 0.000 0.235 22 R C 2.102 178.360 176.300 -0.069 0.000 1.131 22 R CA 1.621 57.686 56.100 -0.057 0.000 0.960 22 R CB -0.204 30.043 30.300 -0.090 0.000 0.856 22 R HN 0.253 nan 8.270 nan 0.000 0.436 23 M N 0.458 120.006 119.600 -0.086 0.000 2.279 23 M HA -0.116 4.364 4.480 0.000 0.000 0.264 23 M C 1.103 177.460 176.300 0.095 0.000 1.062 23 M CA 1.687 56.948 55.300 -0.064 0.000 1.099 23 M CB -0.228 32.351 32.600 -0.035 0.000 1.394 23 M HN 0.427 nan 8.290 nan 0.000 0.426 24 N N -0.571 118.173 118.700 0.074 0.000 2.414 24 N HA 0.014 4.754 4.740 0.000 0.000 0.177 24 N C 1.492 177.033 175.510 0.052 0.000 1.062 24 N CA -0.143 52.962 53.050 0.092 0.000 0.890 24 N CB 0.658 39.182 38.487 0.062 0.000 1.070 24 N HN 0.079 nan 8.380 nan 0.000 0.454 25 I N 2.136 122.720 120.570 0.024 0.000 2.053 25 I HA -0.299 3.871 4.170 0.000 0.000 0.236 25 I C 2.258 178.378 176.117 0.005 0.000 1.038 25 I CA 1.418 62.722 61.300 0.007 0.000 1.304 25 I CB -1.226 36.768 38.000 -0.010 0.000 1.023 25 I HN 0.235 nan 8.210 nan 0.000 0.395 26 L N 0.147 121.364 121.223 -0.010 0.000 2.187 26 L HA -0.190 4.150 4.340 0.000 0.000 0.213 26 L C 2.185 179.054 176.870 -0.001 0.000 1.100 26 L CA 1.387 56.213 54.840 -0.024 0.000 0.765 26 L CB -0.230 41.788 42.059 -0.068 0.000 0.904 26 L HN 0.296 nan 8.230 nan 0.000 0.437 27 A N -1.646 121.203 122.820 0.048 0.000 2.267 27 A HA 0.206 4.526 4.320 0.000 0.000 0.213 27 A C 1.905 179.520 177.584 0.052 0.000 1.192 27 A CA 0.649 52.736 52.037 0.083 0.000 0.851 27 A CB -0.139 18.999 19.000 0.230 0.000 0.881 27 A HN 0.425 nan 8.150 nan 0.000 0.494 28 G N -0.878 107.942 108.800 0.034 0.000 2.921 28 G HA2 0.099 4.059 3.960 0.000 0.000 0.213 28 G HA3 0.099 4.059 3.960 0.000 0.000 0.213 28 G C 1.545 176.448 174.900 0.005 0.000 1.143 28 G CA 0.106 45.218 45.100 0.019 0.000 0.764 28 G HN 0.439 nan 8.290 nan 0.000 0.542 29 R N -0.005 120.497 120.500 0.002 0.000 2.075 29 R HA 0.235 4.575 4.340 0.000 0.000 0.220 29 R C 2.430 178.725 176.300 -0.008 0.000 1.118 29 R CA 0.363 56.458 56.100 -0.007 0.000 0.986 29 R CB -0.222 30.071 30.300 -0.011 0.000 0.884 29 R HN 0.219 nan 8.270 nan 0.000 0.439 30 I N 2.588 123.155 120.570 -0.005 0.000 2.065 30 I HA -0.384 3.787 4.170 0.000 0.000 0.236 30 I C 2.683 178.798 176.117 -0.003 0.000 1.028 30 I CA 1.938 63.235 61.300 -0.005 0.000 1.299 30 I CB -1.356 36.642 38.000 -0.003 0.000 1.015 30 I HN 0.263 nan 8.210 nan 0.000 0.396 31 I N 1.027 121.599 120.570 0.003 0.000 2.121 31 I HA -0.360 3.810 4.170 0.000 0.000 0.243 31 I C 2.764 178.878 176.117 -0.004 0.000 1.047 31 I CA 2.539 63.842 61.300 0.003 0.000 1.308 31 I CB -1.028 36.977 38.000 0.008 0.000 1.015 31 I HN 0.216 nan 8.210 nan 0.000 0.410 32 A N 1.269 124.084 122.820 -0.008 0.000 1.877 32 A HA -0.212 4.108 4.320 0.000 0.000 0.216 32 A C 2.179 179.753 177.584 -0.017 0.000 1.186 32 A CA 1.988 54.016 52.037 -0.016 0.000 0.620 32 A CB -0.887 18.101 19.000 -0.021 0.000 0.822 32 A HN 0.694 nan 8.150 nan 0.000 0.443 33 E N -0.329 119.863 120.200 -0.015 0.000 2.097 33 E HA -0.181 4.169 4.350 0.000 0.000 0.196 33 E C 2.127 178.719 176.600 -0.013 0.000 1.000 33 E CA 1.779 58.170 56.400 -0.015 0.000 0.804 33 E CB -0.581 29.110 29.700 -0.014 0.000 0.740 33 E HN 0.768 nan 8.360 nan 0.000 0.454 34 T N 0.544 115.092 114.554 -0.010 0.000 2.624 34 T HA -0.203 4.147 4.350 0.000 0.000 0.268 34 T C 2.160 176.854 174.700 -0.009 0.000 1.041 34 T CA 2.200 64.295 62.100 -0.008 0.000 1.159 34 T CB -0.542 68.323 68.868 -0.005 0.000 0.863 34 T HN 0.191 nan 8.240 nan 0.000 0.434 35 V N 0.945 120.853 119.914 -0.011 0.000 3.379 35 V HA 0.222 4.342 4.120 0.000 0.000 0.249 35 V C 2.313 178.397 176.094 -0.016 0.000 1.184 35 V CA 0.378 62.671 62.300 -0.012 0.000 1.106 35 V CB -0.767 31.049 31.823 -0.010 0.000 0.826 35 V HN 0.487 nan 8.190 nan 0.000 0.465 36 R N 2.323 122.811 120.500 -0.020 0.000 2.398 36 R HA -0.371 3.969 4.340 0.000 0.000 0.233 36 R C 1.907 178.194 176.300 -0.022 0.000 1.022 36 R CA 2.856 58.942 56.100 -0.024 0.000 0.855 36 R CB -1.886 28.399 30.300 -0.025 0.000 0.962 36 R HN 0.498 nan 8.270 nan 0.000 0.416 37 S N -0.099 115.591 115.700 -0.018 0.000 2.461 37 S HA -0.083 4.387 4.470 0.000 0.000 0.228 37 S C 1.931 176.522 174.600 -0.014 0.000 1.005 37 S CA 1.211 59.401 58.200 -0.016 0.000 0.942 37 S CB -0.059 63.133 63.200 -0.013 0.000 0.776 37 S HN 0.776 nan 8.310 nan 0.000 0.514 38 T N 0.920 115.467 114.554 -0.013 0.000 2.737 38 T HA 0.033 4.383 4.350 0.000 0.000 0.265 38 T C 0.849 175.543 174.700 -0.011 0.000 1.038 38 T CA 0.294 62.388 62.100 -0.010 0.000 1.144 38 T CB -0.798 68.066 68.868 -0.007 0.000 0.866 38 T HN 0.257 nan 8.240 nan 0.000 0.434 39 L N 2.506 123.720 121.223 -0.015 0.000 2.654 39 L HA 0.448 4.789 4.340 0.000 0.000 0.271 39 L C 0.701 177.558 176.870 -0.022 0.000 1.169 39 L CA 1.287 56.117 54.840 -0.018 0.000 0.947 39 L CB -0.766 41.284 42.059 -0.015 0.000 1.232 39 L HN 0.863 nan 8.230 nan 0.000 0.486 40 G N 3.559 112.346 108.800 -0.021 0.000 2.331 40 G HA2 -0.112 3.848 3.960 0.000 0.000 0.402 40 G HA3 -0.112 3.848 3.960 0.000 0.000 0.402 40 G C -2.206 172.678 174.900 -0.027 0.000 1.275 40 G CA -0.377 44.705 45.100 -0.030 0.000 1.003 40 G HN 0.367 nan 8.290 nan 0.000 0.500 41 P HA -0.134 nan 4.420 nan 0.000 0.218 41 P C 1.717 179.002 177.300 -0.024 0.000 1.154 41 P CA 2.464 65.534 63.100 -0.051 0.000 0.872 41 P CB 0.029 31.644 31.700 -0.143 0.000 0.790 42 K N -1.257 119.123 120.400 -0.032 0.000 2.361 42 K HA 0.153 4.474 4.320 0.000 0.000 0.194 42 K C 1.013 177.606 176.600 -0.013 0.000 1.032 42 K CA 0.297 56.569 56.287 -0.025 0.000 1.048 42 K CB -0.191 32.293 32.500 -0.026 0.000 0.842 42 K HN -0.009 nan 8.250 nan 0.000 0.526 43 G N 1.995 110.788 108.800 -0.011 0.000 2.467 43 G HA2 0.362 4.322 3.960 0.000 0.000 0.257 43 G HA3 0.362 4.322 3.960 0.000 0.000 0.257 43 G C -0.139 174.759 174.900 -0.002 0.000 1.227 43 G CA -0.540 44.555 45.100 -0.008 0.000 0.835 43 G HN -0.005 nan 8.290 nan 0.000 0.556 44 M N 0.951 120.549 119.600 -0.004 0.000 2.471 44 M HA 0.333 4.813 4.480 0.000 0.000 0.309 44 M C -0.383 175.915 176.300 -0.002 0.000 1.186 44 M CA -0.791 54.507 55.300 -0.002 0.000 1.008 44 M CB 1.407 34.004 32.600 -0.004 0.000 1.551 44 M HN 0.380 nan 8.290 nan 0.000 0.477 45 D N 0.861 121.260 120.400 -0.002 0.000 2.354 45 D HA 0.487 5.127 4.640 0.000 0.000 0.247 45 D C -0.398 175.900 176.300 -0.002 0.000 1.138 45 D CA -0.060 53.939 54.000 -0.002 0.000 0.958 45 D CB 1.016 41.814 40.800 -0.003 0.000 1.144 45 D HN 0.271 nan 8.370 nan 0.000 0.458 46 K N 0.197 120.596 120.400 -0.001 0.000 2.444 46 K HA 0.490 4.810 4.320 0.000 0.000 0.252 46 K C -0.680 175.920 176.600 -0.001 0.000 0.993 46 K CA -0.848 55.438 56.287 -0.001 0.000 0.847 46 K CB 2.341 34.841 32.500 -0.001 0.000 1.340 46 K HN 0.301 nan 8.250 nan 0.000 0.446 47 M N 3.656 123.256 119.600 -0.001 0.000 3.106 47 M HA 0.159 4.639 4.480 0.000 0.000 0.213 47 M C -1.048 175.253 176.300 0.001 0.000 1.117 47 M CA -0.889 54.411 55.300 -0.000 0.000 0.900 47 M CB 0.090 32.690 32.600 -0.002 0.000 1.339 47 M HN 0.406 nan 8.290 nan 0.000 0.542 48 L N 1.254 122.479 121.223 0.002 0.000 2.463 48 L HA 0.051 4.391 4.340 0.000 0.000 0.300 48 L C 0.096 176.968 176.870 0.003 0.000 1.315 48 L CA 0.482 55.324 54.840 0.003 0.000 0.824 48 L CB -0.357 41.705 42.059 0.004 0.000 1.058 48 L HN 0.410 nan 8.230 nan 0.000 0.588 49 V N -1.231 118.685 119.914 0.004 0.000 2.882 49 V HA 0.199 4.320 4.120 0.000 0.000 0.259 49 V C -0.801 175.296 176.094 0.004 0.000 1.667 49 V CA -1.586 60.716 62.300 0.004 0.000 0.886 49 V CB 1.375 33.200 31.823 0.003 0.000 1.198 49 V HN 0.862 nan 8.190 nan 0.000 0.473 50 D N 1.750 122.152 120.400 0.005 0.000 2.414 50 D HA 0.417 5.058 4.640 0.000 0.000 0.251 50 D C 0.668 176.971 176.300 0.005 0.000 1.252 50 D CA 0.448 54.451 54.000 0.005 0.000 0.999 50 D CB 0.540 41.343 40.800 0.005 0.000 1.093 50 D HN 0.528 nan 8.370 nan 0.000 0.515 51 D N -1.058 119.345 120.400 0.005 0.000 4.528 51 D HA -0.287 4.353 4.640 0.000 0.000 0.253 51 D C 1.771 178.074 176.300 0.005 0.000 0.519 51 D CA 2.979 56.982 54.000 0.005 0.000 1.128 51 D CB -1.194 39.609 40.800 0.006 0.000 0.662 51 D HN 0.545 nan 8.370 nan 0.000 0.364 52 L N -0.629 120.597 121.223 0.005 0.000 2.187 52 L HA 0.108 4.448 4.340 0.000 0.000 0.213 52 L C 2.110 178.982 176.870 0.004 0.000 1.100 52 L CA 1.350 56.193 54.840 0.004 0.000 0.765 52 L CB -0.702 41.360 42.059 0.005 0.000 0.904 52 L HN 0.605 nan 8.230 nan 0.000 0.437 53 G N -0.699 108.104 108.800 0.004 0.000 2.159 53 G HA2 -0.277 3.683 3.960 0.000 0.000 0.256 53 G HA3 -0.277 3.683 3.960 0.000 0.000 0.256 53 G C -0.015 174.887 174.900 0.004 0.000 0.977 53 G CA 0.172 45.274 45.100 0.004 0.000 0.652 53 G HN 0.374 nan 8.290 nan 0.000 0.531 54 D N 0.633 121.036 120.400 0.004 0.000 2.581 54 D HA 0.300 4.940 4.640 0.000 0.000 0.238 54 D C 1.048 177.351 176.300 0.005 0.000 1.145 54 D CA 1.075 55.078 54.000 0.005 0.000 0.866 54 D CB 0.955 41.758 40.800 0.006 0.000 1.151 54 D HN 1.014 nan 8.370 nan 0.000 0.500 55 V N 2.099 122.016 119.914 0.005 0.000 2.350 55 V HA 0.583 4.704 4.120 0.000 0.000 0.276 55 V C -0.189 175.908 176.094 0.005 0.000 1.028 55 V CA -0.747 61.555 62.300 0.004 0.000 0.860 55 V CB 1.421 33.245 31.823 0.002 0.000 0.990 55 V HN 0.184 nan 8.190 nan 0.000 0.453 56 V N 4.618 124.535 119.914 0.005 0.000 2.487 56 V HA 0.602 4.722 4.120 0.000 0.000 0.298 56 V C -0.170 175.927 176.094 0.005 0.000 1.028 56 V CA -0.556 61.748 62.300 0.007 0.000 0.860 56 V CB 1.671 33.499 31.823 0.007 0.000 0.991 56 V HN 0.715 nan 8.190 nan 0.000 0.427 57 V N 4.221 124.138 119.914 0.005 0.000 2.327 57 V HA 0.622 4.743 4.120 0.000 0.000 0.272 57 V C 0.118 176.215 176.094 0.005 0.000 1.019 57 V CA -0.134 62.167 62.300 0.002 0.000 0.814 57 V CB 1.195 33.015 31.823 -0.004 0.000 1.040 57 V HN 1.105 nan 8.190 nan 0.000 0.440 58 T N -0.433 114.125 114.554 0.006 0.000 2.896 58 T HA 0.437 4.788 4.350 0.000 0.000 0.297 58 T C 0.319 175.022 174.700 0.006 0.000 1.108 58 T CA -0.558 61.547 62.100 0.008 0.000 1.004 58 T CB 2.698 71.573 68.868 0.012 0.000 1.159 58 T HN 0.315 nan 8.240 nan 0.000 0.499 59 N N -0.123 118.581 118.700 0.007 0.000 2.517 59 N HA -0.011 4.729 4.740 0.000 0.000 0.202 59 N C -0.248 175.264 175.510 0.003 0.000 1.042 59 N CA -0.232 52.820 53.050 0.004 0.000 0.952 59 N CB 0.295 38.785 38.487 0.005 0.000 1.211 59 N HN 0.689 nan 8.380 nan 0.000 0.458 60 D N 0.639 121.042 120.400 0.006 0.000 2.819 60 D HA -0.068 4.572 4.640 0.000 0.000 0.236 60 D C 1.193 177.494 176.300 0.002 0.000 1.181 60 D CA 0.380 54.382 54.000 0.004 0.000 0.855 60 D CB 0.625 41.429 40.800 0.007 0.000 1.146 60 D HN 0.486 nan 8.370 nan 0.000 0.540 61 G N 3.196 111.996 108.800 -0.000 0.000 2.606 61 G HA2 -0.331 3.630 3.960 0.000 0.000 0.221 61 G HA3 -0.331 3.630 3.960 0.000 0.000 0.221 61 G C 1.570 176.470 174.900 -0.000 0.000 1.152 61 G CA 1.148 46.247 45.100 -0.002 0.000 0.765 61 G HN 0.500 nan 8.290 nan 0.000 0.595 62 V N 0.505 120.420 119.914 0.001 0.000 2.231 62 V HA -0.187 3.933 4.120 0.000 0.000 0.239 62 V C 2.842 178.938 176.094 0.003 0.000 1.035 62 V CA 3.423 65.724 62.300 0.002 0.000 0.989 62 V CB -1.142 30.682 31.823 0.002 0.000 0.636 62 V HN 0.407 nan 8.190 nan 0.000 0.457 63 T N 0.997 115.553 114.554 0.004 0.000 2.802 63 T HA -0.203 4.147 4.350 0.000 0.000 0.269 63 T C 1.627 176.330 174.700 0.005 0.000 1.062 63 T CA 2.175 64.278 62.100 0.005 0.000 1.133 63 T CB -0.605 68.267 68.868 0.007 0.000 0.852 63 T HN 0.557 nan 8.240 nan 0.000 0.485 64 I N 1.318 121.890 120.570 0.004 0.000 2.069 64 I HA -0.204 3.966 4.170 0.000 0.000 0.237 64 I C 2.112 178.232 176.117 0.004 0.000 1.053 64 I CA 1.138 62.440 61.300 0.004 0.000 1.311 64 I CB -0.630 37.371 38.000 0.002 0.000 1.030 64 I HN 0.181 nan 8.210 nan 0.000 0.398 65 L N 0.364 121.590 121.223 0.004 0.000 2.187 65 L HA -0.142 4.199 4.340 0.000 0.000 0.213 65 L C 2.446 179.320 176.870 0.006 0.000 1.100 65 L CA 1.593 56.436 54.840 0.005 0.000 0.765 65 L CB -1.983 40.079 42.059 0.006 0.000 0.904 65 L HN 0.332 nan 8.230 nan 0.000 0.437 66 R N 0.522 121.025 120.500 0.005 0.000 2.127 66 R HA -0.180 4.161 4.340 0.000 0.000 0.228 66 R C 2.218 178.522 176.300 0.006 0.000 1.125 66 R CA 1.611 57.714 56.100 0.005 0.000 0.904 66 R CB -0.304 29.998 30.300 0.005 0.000 0.831 66 R HN 0.385 nan 8.270 nan 0.000 0.431 67 E N 0.571 120.775 120.200 0.006 0.000 2.035 67 E HA -0.199 4.151 4.350 0.000 0.000 0.204 67 E C 1.466 178.070 176.600 0.007 0.000 1.025 67 E CA 1.069 57.473 56.400 0.007 0.000 0.835 67 E CB -0.284 29.420 29.700 0.006 0.000 0.764 67 E HN 0.176 nan 8.360 nan 0.000 0.457 68 M N 1.858 121.462 119.600 0.007 0.000 3.520 68 M HA -0.012 4.468 4.480 0.000 0.000 0.188 68 M C 0.298 176.605 176.300 0.011 0.000 1.400 68 M CA -0.186 55.119 55.300 0.008 0.000 1.553 68 M CB -1.947 30.657 32.600 0.008 0.000 1.333 68 M HN -0.027 nan 8.290 nan 0.000 0.452 69 S N 0.074 115.780 115.700 0.011 0.000 3.337 69 S HA -0.099 4.371 4.470 0.000 0.000 0.176 69 S C 0.436 175.046 174.600 0.017 0.000 0.401 69 S CA -0.230 57.978 58.200 0.013 0.000 1.377 69 S CB -1.049 62.158 63.200 0.011 0.000 0.712 69 S HN 0.322 nan 8.310 nan 0.000 0.262 70 V N 2.392 122.318 119.914 0.020 0.000 3.566 70 V HA 0.088 4.208 4.120 0.000 0.000 0.301 70 V C 1.610 177.727 176.094 0.038 0.000 1.105 70 V CA 0.907 63.224 62.300 0.028 0.000 1.142 70 V CB 0.615 32.455 31.823 0.028 0.000 1.107 70 V HN 0.896 nan 8.190 nan 0.000 0.481 71 E N -0.565 119.672 120.200 0.061 0.000 2.520 71 E HA 0.077 4.427 4.350 0.000 0.000 0.201 71 E C 0.419 177.101 176.600 0.137 0.000 0.894 71 E CA -0.443 56.003 56.400 0.077 0.000 1.161 71 E CB -0.133 29.606 29.700 0.064 0.000 1.137 71 E HN 0.635 nan 8.360 nan 0.000 0.510 72 H N 3.556 122.633 119.070 0.012 0.000 3.217 72 H HA 0.036 4.593 4.556 0.001 0.000 0.272 72 H C -1.785 173.553 175.328 0.015 0.000 0.929 72 H CA -1.662 54.395 56.048 0.015 0.000 1.425 72 H CB 0.928 30.695 29.762 0.009 0.000 1.505 72 H HN 0.073 nan 8.280 nan 0.000 0.542 73 P HA -0.203 nan 4.420 nan 0.000 0.222 73 P C 0.774 177.967 177.300 -0.179 0.000 1.142 73 P CA 1.708 64.708 63.100 -0.166 0.000 0.788 73 P CB 0.314 31.918 31.700 -0.160 0.000 0.767 74 A N 0.336 122.976 122.820 -0.300 0.000 1.850 74 A HA 0.147 4.468 4.320 0.000 0.000 0.212 74 A C 2.304 179.856 177.584 -0.053 0.000 1.208 74 A CA 1.290 53.230 52.037 -0.163 0.000 0.609 74 A CB -1.567 17.322 19.000 -0.184 0.000 0.860 74 A HN 0.127 nan 8.150 nan 0.000 0.448 75 A N -0.355 122.466 122.820 0.001 0.000 2.156 75 A HA -0.346 3.974 4.320 0.000 0.000 0.226 75 A C 1.915 179.505 177.584 0.011 0.000 1.199 75 A CA 2.652 54.711 52.037 0.036 0.000 0.689 75 A CB -0.533 18.527 19.000 0.100 0.000 0.823 75 A HN 0.548 nan 8.150 nan 0.000 0.495 76 K N -1.233 119.157 120.400 -0.015 0.000 2.242 76 K HA 0.174 4.494 4.320 0.000 0.000 0.200 76 K C 1.577 178.170 176.600 -0.011 0.000 1.050 76 K CA 1.129 57.408 56.287 -0.012 0.000 0.981 76 K CB -0.021 32.471 32.500 -0.015 0.000 0.795 76 K HN 0.759 nan 8.250 nan 0.000 0.477 77 M N -0.345 119.245 119.600 -0.017 0.000 2.608 77 M HA 0.232 4.712 4.480 0.000 0.000 0.224 77 M C 0.881 177.179 176.300 -0.003 0.000 1.204 77 M CA 0.775 56.069 55.300 -0.010 0.000 0.984 77 M CB 0.281 32.873 32.600 -0.013 0.000 1.691 77 M HN -0.055 nan 8.290 nan 0.000 0.469 78 L N -0.698 120.524 121.223 -0.001 0.000 2.840 78 L HA 0.261 4.601 4.340 0.000 0.000 0.249 78 L C 1.836 178.707 176.870 0.003 0.000 1.119 78 L CA -0.042 54.799 54.840 0.002 0.000 0.930 78 L CB 0.343 42.405 42.059 0.005 0.000 1.295 78 L HN 0.303 nan 8.230 nan 0.000 0.534 79 I N 0.969 121.540 120.570 0.003 0.000 2.142 79 I HA -0.284 3.886 4.170 0.000 0.000 0.240 79 I C 1.931 178.049 176.117 0.002 0.000 1.078 79 I CA 1.923 63.225 61.300 0.003 0.000 1.343 79 I CB -0.103 37.899 38.000 0.004 0.000 1.046 79 I HN 0.272 nan 8.210 nan 0.000 0.405 80 E N -0.408 119.793 120.200 0.002 0.000 2.401 80 E HA -0.209 4.141 4.350 0.000 0.000 0.204 80 E C 1.618 178.220 176.600 0.003 0.000 1.036 80 E CA 1.377 57.778 56.400 0.002 0.000 0.856 80 E CB -0.389 29.312 29.700 0.001 0.000 0.770 80 E HN 0.485 nan 8.360 nan 0.000 0.527 81 V N -0.924 118.992 119.914 0.003 0.000 3.556 81 V HA 0.273 4.393 4.120 0.000 0.000 0.287 81 V C 1.509 177.604 176.094 0.002 0.000 1.422 81 V CA 0.692 62.995 62.300 0.004 0.000 1.038 81 V CB 0.746 32.573 31.823 0.006 0.000 0.850 81 V HN 0.338 nan 8.190 nan 0.000 0.437 82 A N -0.211 122.609 122.820 0.001 0.000 2.014 82 A HA 0.085 4.405 4.320 0.000 0.000 0.210 82 A C 2.132 179.716 177.584 0.000 0.000 1.188 82 A CA 0.870 52.907 52.037 -0.000 0.000 0.731 82 A CB -0.144 18.855 19.000 -0.001 0.000 0.858 82 A HN 0.285 nan 8.150 nan 0.000 0.464 83 K N -0.367 120.034 120.400 0.001 0.000 2.013 83 K HA -0.233 4.087 4.320 0.000 0.000 0.225 83 K C 1.648 178.249 176.600 0.001 0.000 1.056 83 K CA 2.303 58.591 56.287 0.001 0.000 0.971 83 K CB -0.541 31.960 32.500 0.002 0.000 0.731 83 K HN 0.388 nan 8.250 nan 0.000 0.450 84 T N 1.156 115.711 114.554 0.002 0.000 3.118 84 T HA -0.020 4.331 4.350 0.000 0.000 0.260 84 T C 1.572 176.273 174.700 0.002 0.000 1.139 84 T CA 0.446 62.547 62.100 0.002 0.000 1.085 84 T CB 0.157 69.027 68.868 0.003 0.000 0.934 84 T HN 0.264 nan 8.240 nan 0.000 0.518 85 Q N 0.377 120.178 119.800 0.002 0.000 2.123 85 Q HA -0.016 4.324 4.340 0.000 0.000 0.196 85 Q C 2.339 178.339 176.000 0.000 0.000 0.958 85 Q CA 0.774 56.578 55.803 0.001 0.000 0.841 85 Q CB -0.029 28.710 28.738 0.001 0.000 0.915 85 Q HN 0.447 nan 8.270 nan 0.000 0.455 86 E N 1.543 121.743 120.200 0.000 0.000 2.023 86 E HA -0.196 4.154 4.350 0.000 0.000 0.196 86 E C 1.513 178.112 176.600 -0.000 0.000 1.003 86 E CA 1.183 57.583 56.400 -0.000 0.000 0.809 86 E CB 0.128 29.828 29.700 0.000 0.000 0.755 86 E HN 0.113 nan 8.360 nan 0.000 0.449 87 K N 0.825 121.225 120.400 -0.000 0.000 2.220 87 K HA -0.291 4.029 4.320 0.000 0.000 0.229 87 K C 1.673 178.273 176.600 -0.001 0.000 0.800 87 K CA 2.596 58.882 56.287 -0.001 0.000 0.965 87 K CB -0.583 31.917 32.500 -0.000 0.000 0.560 87 K HN 0.267 nan 8.250 nan 0.000 0.785 88 E N -1.104 119.096 120.200 -0.000 0.000 3.685 88 E HA -0.354 3.996 4.350 0.000 0.000 0.470 88 E C 1.479 178.079 176.600 -0.000 0.000 1.664 88 E CA 2.186 58.586 56.400 0.000 0.000 1.458 88 E CB -1.094 28.607 29.700 0.001 0.000 1.248 88 E HN 0.265 nan 8.360 nan 0.000 0.367 89 V N 0.629 120.543 119.914 0.000 0.000 3.506 89 V HA 0.086 4.206 4.120 0.000 0.000 0.263 89 V C 1.381 177.475 176.094 -0.000 0.000 1.203 89 V CA 2.263 64.564 62.300 0.000 0.000 1.133 89 V CB -0.283 31.541 31.823 0.001 0.000 0.802 89 V HN 0.790 nan 8.190 nan 0.000 0.459 90 G N 0.385 109.184 108.800 -0.000 0.000 5.356 90 G HA2 -0.303 3.657 3.960 0.000 0.000 0.309 90 G HA3 -0.303 3.657 3.960 0.000 0.000 0.309 90 G C 0.129 175.028 174.900 -0.000 0.000 1.451 90 G CA 0.225 45.325 45.100 -0.000 0.000 0.978 90 G HN 0.528 nan 8.290 nan 0.000 0.771 91 D N 3.024 123.424 120.400 -0.000 0.000 2.648 91 D HA 0.360 5.001 4.640 0.000 0.000 0.229 91 D C 1.289 177.588 176.300 -0.003 0.000 1.119 91 D CA 2.312 56.312 54.000 -0.001 0.000 0.850 91 D CB 0.004 40.804 40.800 -0.000 0.000 1.169 91 D HN 1.928 nan 8.370 nan 0.000 0.489 92 G N 2.368 111.165 108.800 -0.005 0.000 2.248 92 G HA2 -0.289 3.672 3.960 0.000 0.000 0.252 92 G HA3 -0.289 3.672 3.960 0.000 0.000 0.252 92 G C 1.027 175.922 174.900 -0.007 0.000 1.085 92 G CA 0.473 45.569 45.100 -0.007 0.000 0.845 92 G HN 0.538 nan 8.290 nan 0.000 0.494 93 T N -1.070 113.480 114.554 -0.006 0.000 2.732 93 T HA -0.098 4.252 4.350 0.000 0.000 0.261 93 T C 2.552 177.246 174.700 -0.010 0.000 1.040 93 T CA 2.256 64.353 62.100 -0.006 0.000 1.145 93 T CB -0.680 68.186 68.868 -0.004 0.000 0.866 93 T HN 0.545 nan 8.240 nan 0.000 0.427 94 T N 2.109 116.657 114.554 -0.011 0.000 2.720 94 T HA -0.141 4.209 4.350 0.000 0.000 0.268 94 T C 2.189 176.876 174.700 -0.022 0.000 1.037 94 T CA 1.839 63.930 62.100 -0.016 0.000 1.144 94 T CB -1.075 67.783 68.868 -0.017 0.000 0.864 94 T HN 0.411 nan 8.240 nan 0.000 0.444 95 T N 1.760 116.301 114.554 -0.022 0.000 2.904 95 T HA 0.182 4.533 4.350 0.000 0.000 0.267 95 T C 2.494 177.175 174.700 -0.032 0.000 1.059 95 T CA 0.800 62.882 62.100 -0.029 0.000 1.137 95 T CB -0.589 68.263 68.868 -0.026 0.000 0.879 95 T HN 0.469 nan 8.240 nan 0.000 0.467 96 A N 0.899 123.706 122.820 -0.021 0.000 1.958 96 A HA -0.112 4.208 4.320 0.000 0.000 0.221 96 A C 2.374 179.943 177.584 -0.025 0.000 1.178 96 A CA 1.903 53.930 52.037 -0.017 0.000 0.642 96 A CB -0.680 18.316 19.000 -0.007 0.000 0.816 96 A HN 0.414 nan 8.150 nan 0.000 0.453 97 V N -2.191 117.707 119.914 -0.027 0.000 2.743 97 V HA -0.037 4.083 4.120 0.000 0.000 0.237 97 V C 2.345 178.420 176.094 -0.031 0.000 1.113 97 V CA 0.866 63.153 62.300 -0.022 0.000 1.141 97 V CB -0.646 31.169 31.823 -0.014 0.000 0.873 97 V HN 0.240 nan 8.190 nan 0.000 0.486 98 V N 1.738 121.630 119.914 -0.036 0.000 2.231 98 V HA -0.286 3.834 4.120 0.000 0.000 0.250 98 V C 2.769 178.823 176.094 -0.067 0.000 1.058 98 V CA 2.657 64.930 62.300 -0.045 0.000 1.022 98 V CB -0.768 31.027 31.823 -0.047 0.000 0.640 98 V HN 0.559 nan 8.190 nan 0.000 0.445 99 V N -0.598 119.269 119.914 -0.079 0.000 2.636 99 V HA -0.239 3.881 4.120 0.000 0.000 0.258 99 V C 2.146 178.155 176.094 -0.142 0.000 1.092 99 V CA 2.374 64.601 62.300 -0.121 0.000 1.110 99 V CB -1.126 30.602 31.823 -0.157 0.000 0.685 99 V HN 0.446 nan 8.190 nan 0.000 0.481 100 A N 0.519 123.289 122.820 -0.084 0.000 1.901 100 A HA 0.401 4.722 4.320 0.000 0.000 0.210 100 A C 2.302 179.858 177.584 -0.047 0.000 1.208 100 A CA 1.070 53.075 52.037 -0.053 0.000 0.644 100 A CB -1.014 17.971 19.000 -0.024 0.000 0.863 100 A HN 0.689 nan 8.150 nan 0.000 0.454 101 G N -0.811 107.962 108.800 -0.044 0.000 2.662 101 G HA2 0.061 4.022 3.960 0.000 0.000 0.212 101 G HA3 0.061 4.022 3.960 0.000 0.000 0.212 101 G C 1.321 176.194 174.900 -0.045 0.000 1.141 101 G CA 1.003 46.083 45.100 -0.032 0.000 0.797 101 G HN 0.462 nan 8.290 nan 0.000 0.531 102 E N 0.476 120.635 120.200 -0.069 0.000 2.023 102 E HA -0.106 4.245 4.350 0.000 0.000 0.196 102 E C 2.186 178.729 176.600 -0.095 0.000 1.003 102 E CA 0.704 57.055 56.400 -0.082 0.000 0.809 102 E CB -0.455 29.177 29.700 -0.112 0.000 0.755 102 E HN 0.209 nan 8.360 nan 0.000 0.449 103 L N 0.160 121.298 121.223 -0.142 0.000 2.549 103 L HA 0.015 4.356 4.340 0.000 0.000 0.229 103 L C 1.717 178.555 176.870 -0.054 0.000 1.158 103 L CA 1.127 55.855 54.840 -0.186 0.000 0.842 103 L CB -0.105 41.754 42.059 -0.332 0.000 0.952 103 L HN 0.251 nan 8.230 nan 0.000 0.452 104 L N -1.346 119.866 121.223 -0.019 0.000 2.202 104 L HA -0.016 4.324 4.340 0.000 0.000 0.205 104 L C 2.667 179.547 176.870 0.018 0.000 1.083 104 L CA 0.492 55.345 54.840 0.022 0.000 0.790 104 L CB -0.468 41.597 42.059 0.010 0.000 0.942 104 L HN 0.299 nan 8.230 nan 0.000 0.452 105 R N 0.969 121.466 120.500 -0.004 0.000 2.088 105 R HA -0.188 4.152 4.340 0.000 0.000 0.232 105 R C 1.964 178.268 176.300 0.007 0.000 1.136 105 R CA 1.488 57.585 56.100 -0.005 0.000 0.926 105 R CB -0.332 29.956 30.300 -0.019 0.000 0.837 105 R HN 0.098 nan 8.270 nan 0.000 0.429 106 K N 0.293 120.692 120.400 -0.002 0.000 2.281 106 K HA -0.079 4.242 4.320 0.000 0.000 0.203 106 K C 1.802 178.440 176.600 0.063 0.000 1.046 106 K CA 1.269 57.565 56.287 0.014 0.000 0.938 106 K CB -0.126 32.367 32.500 -0.012 0.000 0.737 106 K HN 0.438 nan 8.250 nan 0.000 0.458 107 A N 0.843 123.715 122.820 0.087 0.000 2.081 107 A HA -0.084 4.236 4.320 0.000 0.000 0.214 107 A C 1.998 179.625 177.584 0.073 0.000 1.158 107 A CA 0.858 52.983 52.037 0.147 0.000 0.724 107 A CB -0.134 18.997 19.000 0.217 0.000 0.826 107 A HN 0.443 nan 8.150 nan 0.000 0.463 108 E N 1.465 121.691 120.200 0.044 0.000 2.085 108 E HA -0.288 4.062 4.350 0.000 0.000 0.194 108 E C 1.521 178.132 176.600 0.018 0.000 0.994 108 E CA 1.754 58.167 56.400 0.021 0.000 0.801 108 E CB -0.416 29.291 29.700 0.011 0.000 0.743 108 E HN 0.758 nan 8.360 nan 0.000 0.453 109 E N 1.151 121.367 120.200 0.025 0.000 2.204 109 E HA -0.181 4.169 4.350 0.000 0.000 0.195 109 E C 2.244 178.857 176.600 0.022 0.000 0.990 109 E CA 1.093 57.506 56.400 0.021 0.000 0.821 109 E CB -0.600 29.115 29.700 0.024 0.000 0.750 109 E HN 0.402 nan 8.360 nan 0.000 0.477 110 L N 1.403 122.644 121.223 0.029 0.000 1.899 110 L HA -0.177 4.164 4.340 0.000 0.000 0.223 110 L C 2.139 179.003 176.870 -0.009 0.000 1.088 110 L CA 1.922 56.772 54.840 0.016 0.000 0.788 110 L CB -1.605 40.466 42.059 0.020 0.000 0.889 110 L HN 0.280 nan 8.230 nan 0.000 0.431 111 L N -2.997 118.208 121.223 -0.029 0.000 3.579 111 L HA -0.458 3.882 4.340 0.000 0.000 0.320 111 L C 1.660 178.519 176.870 -0.019 0.000 4.085 111 L CA 2.387 57.207 54.840 -0.034 0.000 0.516 111 L CB -2.329 39.697 42.059 -0.055 0.000 3.203 111 L HN 0.586 nan 8.230 nan 0.000 0.473 112 D N -1.394 119.002 120.400 -0.006 0.000 2.379 112 D HA -0.040 4.600 4.640 0.000 0.000 0.218 112 D C 1.812 178.113 176.300 0.002 0.000 1.006 112 D CA 0.866 54.866 54.000 -0.001 0.000 0.893 112 D CB -0.126 40.675 40.800 0.000 0.000 1.019 112 D HN 0.503 nan 8.370 nan 0.000 0.503 113 Q N 1.358 121.160 119.800 0.003 0.000 2.307 113 Q HA -0.019 4.321 4.340 0.000 0.000 0.216 113 Q C -0.195 175.806 176.000 0.003 0.000 0.931 113 Q CA 0.216 56.022 55.803 0.005 0.000 0.953 113 Q CB -1.100 27.642 28.738 0.007 0.000 1.006 113 Q HN 0.337 nan 8.270 nan 0.000 0.472 114 N N -1.852 116.849 118.700 0.001 0.000 2.984 114 N HA -0.191 4.549 4.740 0.000 0.000 0.227 114 N C -0.116 175.400 175.510 0.011 0.000 0.903 114 N CA 0.569 53.623 53.050 0.008 0.000 0.995 114 N CB -1.054 37.441 38.487 0.014 0.000 1.065 114 N HN 0.253 nan 8.380 nan 0.000 0.585 115 V N -0.219 119.687 119.914 -0.013 0.000 2.415 115 V HA 0.196 4.316 4.120 0.000 0.000 0.267 115 V C 0.961 176.986 176.094 -0.115 0.000 1.042 115 V CA -0.042 62.242 62.300 -0.027 0.000 1.000 115 V CB 0.461 32.272 31.823 -0.020 0.000 1.015 115 V HN 0.377 nan 8.190 nan 0.000 0.478 116 H N 4.936 123.995 119.070 -0.018 0.000 2.594 116 H HA -0.109 4.447 4.556 0.000 0.000 0.316 116 H C -1.094 174.211 175.328 -0.038 0.000 1.107 116 H CA 0.981 57.014 56.048 -0.026 0.000 1.133 116 H CB -0.962 28.789 29.762 -0.019 0.000 1.459 116 H HN 0.829 nan 8.280 nan 0.000 0.411 117 P HA -0.294 nan 4.420 nan 0.000 0.221 117 P C 1.566 178.748 177.300 -0.196 0.000 1.153 117 P CA 2.345 65.186 63.100 -0.432 0.000 0.858 117 P CB -0.184 31.264 31.700 -0.419 0.000 0.783 118 T N 0.138 114.679 114.554 -0.022 0.000 2.656 118 T HA -0.262 4.088 4.350 0.000 0.000 0.262 118 T C 1.865 176.559 174.700 -0.011 0.000 1.070 118 T CA 1.662 63.818 62.100 0.094 0.000 1.160 118 T CB -1.125 67.854 68.868 0.186 0.000 0.855 118 T HN -0.009 nan 8.240 nan 0.000 0.456 119 I N 0.718 121.260 120.570 -0.048 0.000 2.090 119 I HA -0.116 4.055 4.170 0.000 0.000 0.236 119 I C 2.785 178.794 176.117 -0.179 0.000 1.064 119 I CA 1.052 62.302 61.300 -0.084 0.000 1.324 119 I CB -1.415 36.544 38.000 -0.069 0.000 1.044 119 I HN 0.217 nan 8.210 nan 0.000 0.399 120 V N 1.293 121.046 119.914 -0.267 0.000 2.255 120 V HA -0.244 3.876 4.120 0.000 0.000 0.247 120 V C 2.643 178.320 176.094 -0.696 0.000 1.051 120 V CA 2.647 64.617 62.300 -0.550 0.000 1.018 120 V CB -0.387 31.191 31.823 -0.409 0.000 0.641 120 V HN 0.325 nan 8.190 nan 0.000 0.445 121 V N -1.491 118.222 119.914 -0.336 0.000 2.295 121 V HA -0.224 3.896 4.120 0.000 0.000 0.246 121 V C 2.508 178.543 176.094 -0.099 0.000 1.049 121 V CA 2.516 64.724 62.300 -0.153 0.000 1.024 121 V CB -1.313 30.474 31.823 -0.060 0.000 0.648 121 V HN 0.509 nan 8.190 nan 0.000 0.447 122 K N 1.307 121.649 120.400 -0.098 0.000 2.097 122 K HA 0.043 4.363 4.320 0.000 0.000 0.206 122 K C 2.063 178.646 176.600 -0.029 0.000 1.049 122 K CA 1.378 57.638 56.287 -0.045 0.000 0.933 122 K CB -1.077 31.404 32.500 -0.032 0.000 0.717 122 K HN 0.618 nan 8.250 nan 0.000 0.442 123 G N 0.644 109.412 108.800 -0.053 0.000 2.976 123 G HA2 -0.314 3.646 3.960 0.000 0.000 0.211 123 G HA3 -0.314 3.646 3.960 0.000 0.000 0.211 123 G C 0.789 175.790 174.900 0.167 0.000 1.319 123 G CA 1.366 46.491 45.100 0.042 0.000 0.773 123 G HN 0.304 nan 8.290 nan 0.000 0.769 124 Y N 2.247 122.528 120.300 -0.031 0.000 2.387 124 Y HA -0.237 4.313 4.550 0.000 0.000 0.280 124 Y C 3.005 178.756 175.900 -0.248 0.000 1.196 124 Y CA 1.470 59.485 58.100 -0.141 0.000 1.322 124 Y CB -0.859 37.649 38.460 0.081 0.000 0.970 124 Y HN 0.692 nan 8.280 nan 0.000 0.564 125 Q N -1.409 118.408 119.800 0.028 0.000 2.339 125 Q HA 0.165 4.506 4.340 0.000 0.000 0.205 125 Q C 2.186 178.150 176.000 -0.061 0.000 0.925 125 Q CA 0.834 56.623 55.803 -0.024 0.000 0.898 125 Q CB -0.320 28.424 28.738 0.010 0.000 1.013 125 Q HN 0.240 nan 8.270 nan 0.000 0.504 126 A N 1.542 124.344 122.820 -0.031 0.000 1.935 126 A HA 0.283 4.603 4.320 0.000 0.000 0.214 126 A C 2.337 179.867 177.584 -0.090 0.000 1.178 126 A CA 0.955 52.981 52.037 -0.018 0.000 0.640 126 A CB -0.575 18.465 19.000 0.066 0.000 0.825 126 A HN 0.470 nan 8.150 nan 0.000 0.447 127 A N 0.017 122.762 122.820 -0.125 0.000 2.125 127 A HA 0.219 4.539 4.320 0.000 0.000 0.219 127 A C 2.239 179.512 177.584 -0.518 0.000 1.156 127 A CA 1.776 53.615 52.037 -0.330 0.000 0.671 127 A CB -0.718 18.115 19.000 -0.279 0.000 0.794 127 A HN 0.824 nan 8.150 nan 0.000 0.459 128 A N -0.363 122.179 122.820 -0.463 0.000 1.822 128 A HA 0.016 4.336 4.320 0.000 0.000 0.214 128 A C 1.717 179.191 177.584 -0.184 0.000 1.245 128 A CA 1.721 53.569 52.037 -0.314 0.000 0.608 128 A CB -1.038 17.842 19.000 -0.199 0.000 0.896 128 A HN 0.623 nan 8.150 nan 0.000 0.457 129 Q N -0.516 119.205 119.800 -0.133 0.000 2.771 129 Q HA -0.425 3.916 4.340 0.000 0.000 0.463 129 Q C 1.468 177.378 176.000 -0.150 0.000 0.491 129 Q CA 2.686 58.419 55.803 -0.117 0.000 1.027 129 Q CB -0.999 27.696 28.738 -0.072 0.000 1.503 129 Q HN 0.634 nan 8.270 nan 0.000 1.102 130 K N 1.108 121.369 120.400 -0.232 0.000 2.504 130 K HA 0.172 4.493 4.320 0.000 0.000 0.195 130 K C 1.507 177.932 176.600 -0.291 0.000 1.036 130 K CA 1.284 57.377 56.287 -0.323 0.000 0.984 130 K CB -0.155 31.945 32.500 -0.666 0.000 0.788 130 K HN 0.474 nan 8.250 nan 0.000 0.488 131 A N 0.140 122.824 122.820 -0.228 0.000 2.195 131 A HA 0.047 4.367 4.320 0.000 0.000 0.210 131 A C 1.662 179.192 177.584 -0.089 0.000 1.165 131 A CA 0.120 52.071 52.037 -0.144 0.000 0.806 131 A CB -0.184 18.758 19.000 -0.097 0.000 0.847 131 A HN 0.346 nan 8.150 nan 0.000 0.482 132 Q N 0.696 120.443 119.800 -0.087 0.000 2.079 132 Q HA -0.160 4.180 4.340 0.000 0.000 0.200 132 Q C 0.910 176.875 176.000 -0.058 0.000 0.974 132 Q CA 1.493 57.262 55.803 -0.057 0.000 0.840 132 Q CB -0.282 28.423 28.738 -0.055 0.000 0.898 132 Q HN 0.893 nan 8.270 nan 0.000 0.430 133 E N 0.698 120.850 120.200 -0.081 0.000 2.445 133 E HA 0.027 4.377 4.350 0.000 0.000 0.189 133 E C 1.499 178.061 176.600 -0.063 0.000 1.069 133 E CA 0.108 56.468 56.400 -0.068 0.000 0.871 133 E CB -0.017 29.642 29.700 -0.068 0.000 0.991 133 E HN 0.308 nan 8.360 nan 0.000 0.481 134 L N -2.098 119.086 121.223 -0.066 0.000 2.453 134 L HA 0.175 4.515 4.340 0.000 0.000 0.190 134 L C 2.222 179.071 176.870 -0.035 0.000 1.093 134 L CA -0.062 54.743 54.840 -0.057 0.000 0.834 134 L CB -0.534 41.484 42.059 -0.069 0.000 1.090 134 L HN -0.069 nan 8.230 nan 0.000 0.489 135 L N 0.285 121.489 121.223 -0.031 0.000 2.240 135 L HA 0.007 4.347 4.340 0.000 0.000 0.211 135 L C 2.057 178.921 176.870 -0.009 0.000 1.106 135 L CA 1.121 55.950 54.840 -0.017 0.000 0.793 135 L CB -0.230 41.821 42.059 -0.014 0.000 0.927 135 L HN 0.283 nan 8.230 nan 0.000 0.446 136 K N -0.870 119.522 120.400 -0.013 0.000 2.444 136 K HA 0.016 4.336 4.320 0.000 0.000 0.193 136 K C 1.625 178.223 176.600 -0.003 0.000 1.024 136 K CA 0.978 57.261 56.287 -0.007 0.000 1.077 136 K CB 0.096 32.590 32.500 -0.010 0.000 0.833 136 K HN 0.337 nan 8.250 nan 0.000 0.517 137 T N -1.880 112.672 114.554 -0.003 0.000 3.014 137 T HA 0.098 4.448 4.350 0.000 0.000 0.250 137 T C 1.906 176.617 174.700 0.019 0.000 1.060 137 T CA -0.189 61.914 62.100 0.005 0.000 1.040 137 T CB -0.308 68.561 68.868 0.002 0.000 0.971 137 T HN 0.169 nan 8.240 nan 0.000 0.497 138 I N 1.426 122.010 120.570 0.024 0.000 2.163 138 I HA 0.236 4.407 4.170 0.000 0.000 0.240 138 I C 1.720 177.864 176.117 0.046 0.000 1.081 138 I CA 0.277 61.610 61.300 0.055 0.000 1.353 138 I CB -1.225 36.804 38.000 0.048 0.000 1.054 138 I HN 0.180 nan 8.210 nan 0.000 0.407 139 A N 2.296 125.133 122.820 0.028 0.000 2.522 139 A HA 0.243 4.563 4.320 0.000 0.000 0.256 139 A C 0.424 178.021 177.584 0.022 0.000 1.086 139 A CA -0.303 51.749 52.037 0.025 0.000 0.763 139 A CB -0.632 18.376 19.000 0.013 0.000 1.024 139 A HN 0.701 nan 8.150 nan 0.000 0.502 140 C N 3.413 122.726 119.300 0.022 0.000 2.347 140 C HA 0.624 5.084 4.460 0.000 0.000 0.353 140 C C 0.117 175.112 174.990 0.009 0.000 1.273 140 C CA -1.126 57.902 59.018 0.015 0.000 1.861 140 C CB -0.203 27.544 27.740 0.011 0.000 2.420 140 C HN 0.791 nan 8.230 nan 0.000 0.542 141 E N 1.672 121.876 120.200 0.007 0.000 2.331 141 E HA 0.556 4.907 4.350 0.000 0.000 0.272 141 E C -0.589 176.013 176.600 0.003 0.000 1.036 141 E CA -0.283 56.120 56.400 0.005 0.000 0.864 141 E CB 1.765 31.468 29.700 0.005 0.000 1.035 141 E HN 0.737 nan 8.360 nan 0.000 0.408 142 V N 1.331 121.246 119.914 0.003 0.000 2.882 142 V HA 0.205 4.325 4.120 0.000 0.000 0.259 142 V C -0.002 176.093 176.094 0.003 0.000 1.667 142 V CA -0.043 62.259 62.300 0.002 0.000 0.886 142 V CB 1.350 33.175 31.823 0.002 0.000 1.198 142 V HN 0.916 nan 8.190 nan 0.000 0.473 143 G N 4.460 113.262 108.800 0.002 0.000 2.983 143 G HA2 0.177 4.137 3.960 0.000 0.000 0.234 143 G HA3 0.177 4.137 3.960 0.000 0.000 0.234 143 G C 1.292 176.193 174.900 0.002 0.000 0.734 143 G CA 0.546 45.648 45.100 0.002 0.000 1.049 143 G HN 2.064 nan 8.290 nan 0.000 0.348 144 A N 1.864 124.685 122.820 0.002 0.000 1.837 144 A HA -0.079 4.241 4.320 0.000 0.000 0.216 144 A C 2.041 179.627 177.584 0.003 0.000 1.210 144 A CA 2.376 54.414 52.037 0.002 0.000 0.632 144 A CB -0.429 18.572 19.000 0.002 0.000 0.843 144 A HN 1.313 nan 8.150 nan 0.000 0.448 145 Q N -0.394 119.407 119.800 0.002 0.000 2.233 145 Q HA 0.418 4.758 4.340 0.000 0.000 0.340 145 Q C -0.995 175.007 176.000 0.002 0.000 0.899 145 Q CA -0.231 55.573 55.803 0.003 0.000 1.139 145 Q CB -0.213 28.527 28.738 0.002 0.000 1.273 145 Q HN 0.393 nan 8.270 nan 0.000 0.431 146 D N 1.862 122.264 120.400 0.002 0.000 2.451 146 D HA -0.043 4.597 4.640 0.000 0.000 0.254 146 D C 0.909 177.210 176.300 0.003 0.000 1.204 146 D CA 0.428 54.429 54.000 0.003 0.000 0.896 146 D CB 0.872 41.673 40.800 0.002 0.000 1.136 146 D HN 0.340 nan 8.370 nan 0.000 0.499 147 K N 2.964 123.366 120.400 0.003 0.000 2.023 147 K HA -0.371 3.949 4.320 0.000 0.000 0.227 147 K C 1.557 178.159 176.600 0.005 0.000 1.054 147 K CA 2.203 58.492 56.287 0.004 0.000 0.977 147 K CB -0.077 32.425 32.500 0.004 0.000 0.733 147 K HN 0.630 nan 8.250 nan 0.000 0.451 148 E N 0.091 120.293 120.200 0.004 0.000 2.068 148 E HA -0.249 4.102 4.350 0.000 0.000 0.207 148 E C 2.005 178.608 176.600 0.005 0.000 1.032 148 E CA 2.364 58.766 56.400 0.005 0.000 0.839 148 E CB -0.303 29.399 29.700 0.004 0.000 0.758 148 E HN 0.594 nan 8.360 nan 0.000 0.457 149 I N -1.512 119.061 120.570 0.005 0.000 2.830 149 I HA -0.115 4.055 4.170 0.000 0.000 0.263 149 I C 1.794 177.914 176.117 0.006 0.000 1.230 149 I CA 0.416 61.719 61.300 0.005 0.000 1.480 149 I CB -0.074 37.929 38.000 0.005 0.000 1.095 149 I HN 0.026 nan 8.210 nan 0.000 0.455 150 L N 1.878 123.104 121.223 0.005 0.000 2.013 150 L HA -0.204 4.136 4.340 0.000 0.000 0.212 150 L C 2.947 179.821 176.870 0.007 0.000 1.073 150 L CA 2.698 57.541 54.840 0.006 0.000 0.753 150 L CB -1.550 40.512 42.059 0.005 0.000 0.890 150 L HN 0.623 nan 8.230 nan 0.000 0.432 151 T N -4.249 110.310 114.554 0.007 0.000 2.915 151 T HA -0.149 4.201 4.350 0.000 0.000 0.269 151 T C 1.919 176.625 174.700 0.010 0.000 1.071 151 T CA 0.835 62.940 62.100 0.009 0.000 1.132 151 T CB -0.176 68.697 68.868 0.009 0.000 0.878 151 T HN 0.246 nan 8.240 nan 0.000 0.479 152 K N 1.236 121.642 120.400 0.010 0.000 2.001 152 K HA 0.067 4.387 4.320 0.000 0.000 0.208 152 K C 2.464 179.071 176.600 0.012 0.000 1.048 152 K CA 1.627 57.922 56.287 0.012 0.000 0.932 152 K CB -0.429 32.077 32.500 0.010 0.000 0.715 152 K HN 0.566 nan 8.250 nan 0.000 0.437 153 I N -1.100 119.476 120.570 0.010 0.000 2.423 153 I HA -0.187 3.984 4.170 0.000 0.000 0.254 153 I C 2.289 178.411 176.117 0.009 0.000 1.151 153 I CA 1.252 62.557 61.300 0.009 0.000 1.421 153 I CB -0.851 37.154 38.000 0.008 0.000 1.079 153 I HN -0.060 nan 8.210 nan 0.000 0.431 154 A N 3.350 126.175 122.820 0.009 0.000 1.859 154 A HA -0.242 4.078 4.320 0.000 0.000 0.217 154 A C 2.426 180.017 177.584 0.012 0.000 1.198 154 A CA 2.914 54.957 52.037 0.010 0.000 0.629 154 A CB -0.754 18.251 19.000 0.009 0.000 0.830 154 A HN 0.701 nan 8.150 nan 0.000 0.446 155 M N -1.404 118.205 119.600 0.015 0.000 2.287 155 M HA 0.011 4.491 4.480 0.000 0.000 0.266 155 M C 1.839 178.152 176.300 0.022 0.000 1.079 155 M CA 1.860 57.172 55.300 0.019 0.000 1.146 155 M CB -1.398 31.215 32.600 0.023 0.000 1.374 155 M HN 0.195 nan 8.290 nan 0.000 0.435 156 T N 0.350 114.916 114.554 0.019 0.000 2.685 156 T HA -0.185 4.166 4.350 0.000 0.000 0.268 156 T C 2.063 176.771 174.700 0.014 0.000 1.034 156 T CA 1.948 64.057 62.100 0.016 0.000 1.149 156 T CB -0.733 68.143 68.868 0.013 0.000 0.860 156 T HN 0.466 nan 8.240 nan 0.000 0.449 157 S N 1.838 117.545 115.700 0.012 0.000 2.377 157 S HA -0.109 4.361 4.470 0.000 0.000 0.224 157 S C 1.396 176.004 174.600 0.013 0.000 1.042 157 S CA 1.459 59.666 58.200 0.011 0.000 1.086 157 S CB -0.635 62.569 63.200 0.008 0.000 0.995 157 S HN 0.724 nan 8.310 nan 0.000 0.428 158 I N 2.041 122.620 120.570 0.016 0.000 2.872 158 I HA 0.162 4.333 4.170 0.000 0.000 0.278 158 I C 0.306 176.440 176.117 0.028 0.000 1.005 158 I CA 0.034 61.346 61.300 0.020 0.000 2.196 158 I CB -1.264 36.748 38.000 0.019 0.000 1.438 158 I HN 0.056 nan 8.210 nan 0.000 0.935 159 T N -0.503 114.068 114.554 0.028 0.000 2.881 159 T HA 0.658 5.008 4.350 0.000 0.000 0.290 159 T C 0.455 175.173 174.700 0.031 0.000 1.000 159 T CA -0.058 62.063 62.100 0.036 0.000 0.978 159 T CB 1.588 70.475 68.868 0.032 0.000 0.997 159 T HN 1.017 nan 8.240 nan 0.000 0.443 160 G N 2.473 111.298 108.800 0.041 0.000 2.204 160 G HA2 -0.140 3.820 3.960 0.000 0.000 0.244 160 G HA3 -0.140 3.820 3.960 0.000 0.000 0.244 160 G C -0.271 174.649 174.900 0.033 0.000 1.062 160 G CA 0.265 45.387 45.100 0.036 0.000 0.798 160 G HN 0.925 nan 8.290 nan 0.000 0.496 161 K N -2.035 118.387 120.400 0.038 0.000 2.469 161 K HA 0.630 4.950 4.320 0.000 0.000 0.268 161 K C 1.488 178.109 176.600 0.036 0.000 1.027 161 K CA -0.541 55.767 56.287 0.034 0.000 0.893 161 K CB 0.956 33.474 32.500 0.030 0.000 1.460 161 K HN 0.264 nan 8.250 nan 0.000 0.449 162 G N 0.164 108.985 108.800 0.036 0.000 2.422 162 G HA2 -0.132 3.828 3.960 0.000 0.000 0.218 162 G HA3 -0.132 3.828 3.960 0.000 0.000 0.218 162 G C 0.528 175.446 174.900 0.030 0.000 1.140 162 G CA 0.898 46.018 45.100 0.034 0.000 0.775 162 G HN 0.511 nan 8.290 nan 0.000 0.545 163 A N 0.692 123.530 122.820 0.030 0.000 3.293 163 A HA 0.489 4.809 4.320 0.000 0.000 0.282 163 A C 1.257 178.857 177.584 0.026 0.000 1.394 163 A CA 0.407 52.459 52.037 0.025 0.000 1.118 163 A CB -0.253 18.759 19.000 0.019 0.000 1.133 163 A HN 0.500 nan 8.150 nan 0.000 0.627 164 E N 0.157 120.376 120.200 0.031 0.000 2.418 164 E HA -0.138 4.213 4.350 0.000 0.000 0.197 164 E C 1.193 177.811 176.600 0.028 0.000 1.026 164 E CA 0.909 57.331 56.400 0.037 0.000 0.862 164 E CB 0.066 29.799 29.700 0.056 0.000 0.799 164 E HN 0.251 nan 8.360 nan 0.000 0.518 165 K N 0.908 121.319 120.400 0.017 0.000 2.031 165 K HA 0.057 4.377 4.320 0.000 0.000 0.205 165 K C 1.892 178.495 176.600 0.005 0.000 1.049 165 K CA 1.444 57.734 56.287 0.005 0.000 0.939 165 K CB -0.602 31.896 32.500 -0.004 0.000 0.717 165 K HN 0.246 nan 8.250 nan 0.000 0.438 166 A N 1.759 124.584 122.820 0.009 0.000 2.251 166 A HA -0.051 4.269 4.320 0.000 0.000 0.209 166 A C 1.719 179.310 177.584 0.012 0.000 1.187 166 A CA 0.688 52.731 52.037 0.009 0.000 0.823 166 A CB -0.480 18.526 19.000 0.010 0.000 0.846 166 A HN 0.428 nan 8.150 nan 0.000 0.486 167 K N 0.511 120.920 120.400 0.015 0.000 2.117 167 K HA -0.316 4.004 4.320 0.000 0.000 0.215 167 K C 1.596 178.204 176.600 0.014 0.000 1.053 167 K CA 2.093 58.390 56.287 0.017 0.000 0.935 167 K CB -0.497 32.017 32.500 0.022 0.000 0.719 167 K HN 0.487 nan 8.250 nan 0.000 0.460 168 E N 0.660 120.867 120.200 0.012 0.000 2.204 168 E HA -0.175 4.176 4.350 0.000 0.000 0.194 168 E C 1.900 178.506 176.600 0.009 0.000 0.989 168 E CA 1.012 57.418 56.400 0.010 0.000 0.824 168 E CB 0.153 29.858 29.700 0.008 0.000 0.756 168 E HN 0.301 nan 8.360 nan 0.000 0.477 169 K N -0.156 120.250 120.400 0.009 0.000 2.137 169 K HA -0.032 4.288 4.320 0.000 0.000 0.202 169 K C 1.734 178.340 176.600 0.010 0.000 1.052 169 K CA 0.413 56.705 56.287 0.009 0.000 0.961 169 K CB -0.022 32.483 32.500 0.009 0.000 0.741 169 K HN 0.061 nan 8.250 nan 0.000 0.452 170 L N 0.377 121.606 121.223 0.010 0.000 2.201 170 L HA 0.017 4.358 4.340 0.000 0.000 0.212 170 L C 1.984 178.860 176.870 0.009 0.000 1.105 170 L CA 1.826 56.672 54.840 0.010 0.000 0.775 170 L CB -1.093 40.972 42.059 0.011 0.000 0.913 170 L HN 0.255 nan 8.230 nan 0.000 0.440 171 A N -1.449 121.377 122.820 0.010 0.000 1.997 171 A HA -0.063 4.257 4.320 0.000 0.000 0.212 171 A C 2.231 179.820 177.584 0.008 0.000 1.178 171 A CA 0.605 52.647 52.037 0.009 0.000 0.698 171 A CB -0.221 18.786 19.000 0.011 0.000 0.842 171 A HN 0.397 nan 8.150 nan 0.000 0.458 172 E N 1.276 121.481 120.200 0.009 0.000 2.031 172 E HA -0.203 4.147 4.350 0.000 0.000 0.193 172 E C 1.909 178.514 176.600 0.008 0.000 0.994 172 E CA 1.929 58.334 56.400 0.008 0.000 0.800 172 E CB -0.319 29.385 29.700 0.008 0.000 0.752 172 E HN 0.723 nan 8.360 nan 0.000 0.447 173 I N 0.087 120.662 120.570 0.009 0.000 2.761 173 I HA -0.079 4.091 4.170 0.000 0.000 0.261 173 I C 2.666 178.786 176.117 0.006 0.000 1.198 173 I CA 0.620 61.925 61.300 0.009 0.000 1.482 173 I CB -0.761 37.245 38.000 0.010 0.000 1.100 173 I HN 0.144 nan 8.210 nan 0.000 0.445 174 I N 0.686 121.259 120.570 0.006 0.000 2.090 174 I HA -0.159 4.011 4.170 0.000 0.000 0.236 174 I C 2.339 178.459 176.117 0.005 0.000 1.064 174 I CA 1.627 62.929 61.300 0.004 0.000 1.324 174 I CB -0.971 37.032 38.000 0.004 0.000 1.044 174 I HN 0.020 nan 8.210 nan 0.000 0.399 175 V N 1.492 121.409 119.914 0.006 0.000 2.913 175 V HA -0.168 3.952 4.120 0.000 0.000 0.260 175 V C 2.527 178.625 176.094 0.006 0.000 1.098 175 V CA 1.781 64.085 62.300 0.006 0.000 1.121 175 V CB -0.843 30.984 31.823 0.006 0.000 0.714 175 V HN 0.470 nan 8.190 nan 0.000 0.487 176 E N -0.006 120.198 120.200 0.007 0.000 2.122 176 E HA -0.053 4.298 4.350 0.000 0.000 0.190 176 E C 2.341 178.946 176.600 0.008 0.000 0.977 176 E CA 1.053 57.458 56.400 0.008 0.000 0.820 176 E CB -0.155 29.550 29.700 0.010 0.000 0.770 176 E HN 0.595 nan 8.360 nan 0.000 0.462 177 A N 1.076 123.900 122.820 0.006 0.000 1.929 177 A HA -0.102 4.218 4.320 0.000 0.000 0.216 177 A C 2.453 180.040 177.584 0.005 0.000 1.176 177 A CA 1.020 53.060 52.037 0.005 0.000 0.628 177 A CB -0.429 18.572 19.000 0.000 0.000 0.816 177 A HN 0.114 nan 8.150 nan 0.000 0.444 178 V N -1.018 118.899 119.914 0.005 0.000 2.379 178 V HA -0.138 3.982 4.120 0.000 0.000 0.245 178 V C 2.478 178.576 176.094 0.007 0.000 1.044 178 V CA 2.030 64.333 62.300 0.005 0.000 1.036 178 V CB -1.122 30.703 31.823 0.003 0.000 0.664 178 V HN 0.438 nan 8.190 nan 0.000 0.453 179 S N 0.142 115.847 115.700 0.007 0.000 2.442 179 S HA -0.067 4.403 4.470 0.000 0.000 0.236 179 S C 2.106 176.712 174.600 0.009 0.000 1.007 179 S CA 1.313 59.517 58.200 0.007 0.000 0.965 179 S CB -0.323 62.881 63.200 0.006 0.000 0.773 179 S HN 0.683 nan 8.310 nan 0.000 0.504 180 A N 1.031 123.858 122.820 0.012 0.000 1.843 180 A HA 0.016 4.336 4.320 0.000 0.000 0.213 180 A C 2.382 179.982 177.584 0.025 0.000 1.202 180 A CA 1.365 53.413 52.037 0.018 0.000 0.607 180 A CB -0.969 18.044 19.000 0.021 0.000 0.847 180 A HN 0.529 nan 8.150 nan 0.000 0.445 181 V N -1.571 118.356 119.914 0.022 0.000 2.548 181 V HA 0.025 4.146 4.120 0.000 0.000 0.249 181 V C 1.447 177.556 176.094 0.025 0.000 1.055 181 V CA 1.019 63.335 62.300 0.027 0.000 1.065 181 V CB -1.322 30.509 31.823 0.014 0.000 0.681 181 V HN 0.337 nan 8.190 nan 0.000 0.462 182 V N 4.090 124.014 119.914 0.016 0.000 2.617 182 V HA 0.259 4.379 4.120 0.000 0.000 0.304 182 V C -0.291 175.811 176.094 0.013 0.000 1.040 182 V CA 0.567 62.874 62.300 0.013 0.000 1.149 182 V CB -0.077 31.751 31.823 0.008 0.000 0.914 182 V HN 0.993 nan 8.190 nan 0.000 0.487 183 D N 3.575 123.983 120.400 0.013 0.000 2.619 183 D HA 0.578 5.218 4.640 0.000 0.000 0.241 183 D C -0.289 176.014 176.300 0.005 0.000 1.087 183 D CA -0.533 53.472 54.000 0.008 0.000 0.851 183 D CB 1.583 42.392 40.800 0.014 0.000 1.474 183 D HN 0.518 nan 8.370 nan 0.000 0.478 184 D N 0.151 120.551 120.400 0.001 0.000 3.108 184 D HA -0.180 4.460 4.640 0.000 0.000 0.214 184 D C -0.770 175.530 176.300 0.000 0.000 1.098 184 D CA 0.509 54.510 54.000 0.000 0.000 0.901 184 D CB -1.059 39.742 40.800 0.001 0.000 1.091 184 D HN 0.725 nan 8.370 nan 0.000 0.435 185 E N -0.077 120.123 120.200 0.000 0.000 1.701 185 E HA -0.039 4.311 4.350 0.000 0.000 0.353 185 E C 0.940 177.541 176.600 0.001 0.000 0.620 185 E CA 1.622 58.022 56.400 0.001 0.000 1.322 185 E CB -0.653 29.046 29.700 -0.000 0.000 0.440 185 E HN 0.735 nan 8.360 nan 0.000 0.397 186 G N 3.501 112.302 108.800 0.002 0.000 2.192 186 G HA2 -0.148 3.812 3.960 0.000 0.000 0.152 186 G HA3 -0.148 3.812 3.960 0.000 0.000 0.152 186 G C -0.512 174.390 174.900 0.002 0.000 1.057 186 G CA -0.118 44.983 45.100 0.001 0.000 0.748 186 G HN 0.598 nan 8.290 nan 0.000 0.488 187 K N -1.195 119.206 120.400 0.002 0.000 2.633 187 K HA 0.496 4.816 4.320 0.000 0.000 0.320 187 K C -1.065 175.537 176.600 0.003 0.000 1.312 187 K CA -0.883 55.406 56.287 0.003 0.000 1.081 187 K CB 0.970 33.471 32.500 0.003 0.000 1.406 187 K HN 0.318 nan 8.250 nan 0.000 0.519 188 V N 2.262 122.178 119.914 0.003 0.000 2.277 188 V HA 0.304 4.425 4.120 0.000 0.000 0.269 188 V C -0.740 175.355 176.094 0.001 0.000 1.036 188 V CA -0.364 61.937 62.300 0.002 0.000 0.821 188 V CB 0.920 32.745 31.823 0.003 0.000 1.052 188 V HN 0.696 nan 8.190 nan 0.000 0.462 189 D N 4.139 124.540 120.400 0.002 0.000 2.381 189 D HA 0.409 5.049 4.640 0.000 0.000 0.235 189 D C 0.758 177.056 176.300 -0.003 0.000 1.068 189 D CA -0.458 53.542 54.000 -0.000 0.000 0.832 189 D CB 1.670 42.472 40.800 0.003 0.000 1.101 189 D HN 0.635 nan 8.370 nan 0.000 0.515 190 K N 1.577 121.974 120.400 -0.006 0.000 2.438 190 K HA 0.118 4.439 4.320 0.000 0.000 0.206 190 K C 0.484 177.077 176.600 -0.012 0.000 1.081 190 K CA -0.177 56.105 56.287 -0.008 0.000 1.053 190 K CB 0.662 33.158 32.500 -0.006 0.000 0.908 190 K HN 0.124 nan 8.250 nan 0.000 0.556 191 D N 0.638 121.029 120.400 -0.014 0.000 2.348 191 D HA -0.051 4.589 4.640 0.000 0.000 0.211 191 D C 1.526 177.811 176.300 -0.025 0.000 0.998 191 D CA 0.132 54.121 54.000 -0.019 0.000 0.873 191 D CB 0.240 41.029 40.800 -0.019 0.000 0.925 191 D HN 0.095 nan 8.370 nan 0.000 0.524 192 L N 0.224 121.434 121.223 -0.021 0.000 2.249 192 L HA 0.306 4.646 4.340 0.000 0.000 0.207 192 L C 0.660 177.515 176.870 -0.026 0.000 1.090 192 L CA 0.556 55.382 54.840 -0.024 0.000 0.802 192 L CB -0.036 42.012 42.059 -0.019 0.000 0.947 192 L HN 0.137 nan 8.230 nan 0.000 0.453 193 I N 0.777 121.334 120.570 -0.021 0.000 2.294 193 I HA 0.065 4.235 4.170 0.000 0.000 0.295 193 I C 0.492 176.590 176.117 -0.031 0.000 1.098 193 I CA -0.109 61.176 61.300 -0.024 0.000 1.277 193 I CB 0.097 38.088 38.000 -0.015 0.000 1.434 193 I HN 0.047 nan 8.210 nan 0.000 0.498 194 K N 6.789 127.164 120.400 -0.042 0.000 2.202 194 K HA 0.417 4.737 4.320 0.000 0.000 0.264 194 K C -0.612 175.959 176.600 -0.050 0.000 1.010 194 K CA -0.462 55.794 56.287 -0.051 0.000 0.940 194 K CB 0.823 33.282 32.500 -0.068 0.000 0.983 194 K HN 0.560 nan 8.250 nan 0.000 0.475 195 I N 1.359 121.898 120.570 -0.051 0.000 2.668 195 I HA 0.239 4.410 4.170 0.000 0.000 0.276 195 I C -0.785 175.300 176.117 -0.055 0.000 1.139 195 I CA -0.872 60.401 61.300 -0.046 0.000 1.133 195 I CB 1.054 39.032 38.000 -0.036 0.000 1.327 195 I HN 0.461 nan 8.210 nan 0.000 0.520 196 E N 5.089 125.247 120.200 -0.069 0.000 2.406 196 E HA 0.158 4.508 4.350 0.000 0.000 0.258 196 E C -0.455 176.111 176.600 -0.056 0.000 1.043 196 E CA 0.221 56.573 56.400 -0.080 0.000 0.929 196 E CB 0.502 30.126 29.700 -0.126 0.000 0.969 196 E HN 0.569 nan 8.360 nan 0.000 0.462 197 K N 4.312 124.682 120.400 -0.050 0.000 2.235 197 K HA 0.554 4.875 4.320 0.000 0.000 0.266 197 K C -0.606 175.978 176.600 -0.026 0.000 0.980 197 K CA -1.071 55.195 56.287 -0.034 0.000 0.849 197 K CB 1.545 34.021 32.500 -0.040 0.000 1.098 197 K HN 0.084 nan 8.250 nan 0.000 0.445 198 K N 1.886 122.281 120.400 -0.008 0.000 2.651 198 K HA 0.117 4.437 4.320 0.000 0.000 0.259 198 K C -1.174 175.438 176.600 0.021 0.000 1.017 198 K CA -0.452 55.839 56.287 0.007 0.000 0.897 198 K CB 1.964 34.476 32.500 0.020 0.000 1.262 198 K HN 0.885 nan 8.250 nan 0.000 0.460 199 S N 0.849 116.560 115.700 0.020 0.000 4.130 199 S HA -0.071 4.399 4.470 0.000 0.000 0.224 199 S C 0.619 175.237 174.600 0.031 0.000 0.681 199 S CA 0.856 59.071 58.200 0.025 0.000 1.328 199 S CB -1.166 62.049 63.200 0.025 0.000 1.885 199 S HN 1.148 nan 8.310 nan 0.000 0.366 200 G N 0.368 109.184 108.800 0.028 0.000 3.380 200 G HA2 0.523 4.484 3.960 0.000 0.000 0.685 200 G HA3 0.523 4.484 3.960 0.000 0.000 0.685 200 G C -0.261 174.656 174.900 0.029 0.000 1.136 200 G CA 0.036 45.152 45.100 0.027 0.000 1.011 200 G HN 2.380 nan 8.290 nan 0.000 0.471 201 A N 0.268 123.102 122.820 0.023 0.000 2.366 201 A HA 0.994 5.314 4.320 0.000 0.000 0.288 201 A C -0.143 177.452 177.584 0.017 0.000 1.012 201 A CA 0.763 52.813 52.037 0.023 0.000 0.554 201 A CB 0.027 19.041 19.000 0.023 0.000 1.527 201 A HN 2.346 nan 8.150 nan 0.000 0.659 202 S N -1.869 113.841 115.700 0.016 0.000 2.685 202 S HA 0.764 5.234 4.470 0.000 0.000 0.282 202 S C 0.944 175.552 174.600 0.014 0.000 1.159 202 S CA 0.272 58.481 58.200 0.014 0.000 0.833 202 S CB 0.991 64.197 63.200 0.010 0.000 1.151 202 S HN 1.939 nan 8.310 nan 0.000 0.485 203 I N 0.826 121.403 120.570 0.012 0.000 4.511 203 I HA -0.431 3.740 4.170 0.000 0.000 0.065 203 I C 0.740 176.864 176.117 0.012 0.000 0.610 203 I CA 2.596 63.902 61.300 0.011 0.000 0.881 203 I CB -0.413 37.592 38.000 0.008 0.000 0.798 203 I HN 0.875 nan 8.210 nan 0.000 0.171 204 D N -2.944 117.463 120.400 0.012 0.000 2.481 204 D HA 0.027 4.667 4.640 0.000 0.000 0.568 204 D C 0.103 176.411 176.300 0.013 0.000 0.968 204 D CA 0.334 54.340 54.000 0.011 0.000 1.126 204 D CB 0.071 40.876 40.800 0.008 0.000 1.576 204 D HN 0.408 nan 8.370 nan 0.000 0.365 205 D N 0.485 120.894 120.400 0.016 0.000 2.427 205 D HA 0.095 4.735 4.640 0.000 0.000 0.224 205 D C -0.271 176.045 176.300 0.027 0.000 1.157 205 D CA 0.233 54.245 54.000 0.020 0.000 0.828 205 D CB 0.403 41.215 40.800 0.020 0.000 0.974 205 D HN 0.107 nan 8.370 nan 0.000 0.498 206 T N -1.053 113.515 114.554 0.023 0.000 2.729 206 T HA 0.326 4.676 4.350 0.000 0.000 0.296 206 T C 0.136 174.851 174.700 0.025 0.000 0.928 206 T CA -0.703 61.412 62.100 0.024 0.000 1.045 206 T CB 1.080 69.958 68.868 0.017 0.000 0.902 206 T HN 0.171 nan 8.240 nan 0.000 0.500 207 E N 3.414 123.634 120.200 0.034 0.000 2.334 207 E HA 0.572 4.922 4.350 0.000 0.000 0.256 207 E C -0.951 175.668 176.600 0.032 0.000 0.958 207 E CA -1.355 55.066 56.400 0.035 0.000 0.821 207 E CB 1.444 31.174 29.700 0.050 0.000 1.269 207 E HN 0.451 nan 8.360 nan 0.000 0.413 208 L N 2.601 123.843 121.223 0.031 0.000 2.457 208 L HA 0.340 4.680 4.340 0.000 0.000 0.252 208 L C -0.455 176.435 176.870 0.033 0.000 1.132 208 L CA -0.721 54.133 54.840 0.023 0.000 0.938 208 L CB 0.605 42.675 42.059 0.018 0.000 1.246 208 L HN 0.613 nan 8.230 nan 0.000 0.476 209 I N 0.990 121.585 120.570 0.041 0.000 2.573 209 I HA 0.044 4.215 4.170 0.000 0.000 0.295 209 I C 0.616 176.751 176.117 0.029 0.000 1.141 209 I CA -0.283 61.050 61.300 0.055 0.000 1.364 209 I CB -0.275 37.773 38.000 0.081 0.000 1.447 209 I HN 0.487 nan 8.210 nan 0.000 0.571 210 K N 6.183 126.600 120.400 0.029 0.000 2.651 210 K HA 0.123 4.443 4.320 0.000 0.000 0.210 210 K C 0.674 177.282 176.600 0.013 0.000 0.916 210 K CA 0.223 56.523 56.287 0.021 0.000 1.194 210 K CB -0.843 31.671 32.500 0.022 0.000 0.991 210 K HN 0.986 nan 8.250 nan 0.000 0.266 211 G N -0.894 107.904 108.800 -0.003 0.000 2.450 211 G HA2 0.325 4.285 3.960 0.000 0.000 0.273 211 G HA3 0.325 4.285 3.960 0.000 0.000 0.273 211 G C -1.631 173.238 174.900 -0.053 0.000 1.221 211 G CA -0.684 44.406 45.100 -0.017 0.000 0.900 211 G HN 0.041 nan 8.290 nan 0.000 0.483 212 V N 0.826 120.695 119.914 -0.075 0.000 2.482 212 V HA 0.565 4.685 4.120 0.000 0.000 0.295 212 V C -0.710 175.282 176.094 -0.170 0.000 1.026 212 V CA -0.434 61.788 62.300 -0.130 0.000 0.856 212 V CB 1.381 33.110 31.823 -0.157 0.000 1.001 212 V HN 0.618 nan 8.190 nan 0.000 0.424 213 L N 6.966 128.063 121.223 -0.209 0.000 2.276 213 L HA 0.658 4.998 4.340 0.000 0.000 0.286 213 L C 0.054 176.778 176.870 -0.243 0.000 1.024 213 L CA -0.418 54.239 54.840 -0.305 0.000 0.826 213 L CB 1.518 43.304 42.059 -0.455 0.000 1.211 213 L HN 0.646 nan 8.230 nan 0.000 0.422 214 V N 0.803 120.592 119.914 -0.208 0.000 3.463 214 V HA 0.442 4.563 4.120 0.000 0.000 0.302 214 V C 0.076 176.117 176.094 -0.089 0.000 1.097 214 V CA -0.633 61.581 62.300 -0.143 0.000 1.003 214 V CB 1.521 33.262 31.823 -0.137 0.000 1.229 214 V HN 0.750 nan 8.190 nan 0.000 0.444 215 D N 0.537 120.908 120.400 -0.048 0.000 3.133 215 D HA 0.262 4.903 4.640 0.000 0.000 0.288 215 D C -0.514 175.800 176.300 0.023 0.000 1.346 215 D CA -0.440 53.548 54.000 -0.019 0.000 0.934 215 D CB 0.028 40.815 40.800 -0.022 0.000 1.042 215 D HN 0.421 nan 8.370 nan 0.000 0.506 216 K N 1.103 121.541 120.400 0.064 0.000 2.292 216 K HA 0.361 4.682 4.320 0.000 0.000 0.257 216 K C 0.135 176.794 176.600 0.097 0.000 0.940 216 K CA -0.587 55.758 56.287 0.096 0.000 0.811 216 K CB 1.809 34.377 32.500 0.113 0.000 1.120 216 K HN 0.170 nan 8.250 nan 0.000 0.428 217 E N 1.919 122.161 120.200 0.070 0.000 2.280 217 E HA 0.346 4.697 4.350 0.000 0.000 0.261 217 E C -0.412 176.212 176.600 0.041 0.000 1.088 217 E CA -0.922 55.515 56.400 0.061 0.000 0.915 217 E CB 0.985 30.712 29.700 0.045 0.000 1.141 217 E HN 0.188 nan 8.360 nan 0.000 0.433 218 R N 1.139 121.658 120.500 0.031 0.000 2.248 218 R HA 0.060 4.400 4.340 0.000 0.000 0.337 218 R C 0.671 176.973 176.300 0.003 0.000 1.085 218 R CA -0.108 55.995 56.100 0.005 0.000 0.934 218 R CB 0.762 31.062 30.300 0.001 0.000 1.034 218 R HN 0.338 nan 8.270 nan 0.000 0.465 219 V N 2.156 122.069 119.914 -0.001 0.000 2.719 219 V HA -0.074 4.046 4.120 0.000 0.000 0.252 219 V C 0.624 176.718 176.094 -0.000 0.000 1.065 219 V CA 1.511 63.813 62.300 0.002 0.000 1.086 219 V CB 0.451 32.275 31.823 0.002 0.000 0.700 219 V HN 0.606 nan 8.190 nan 0.000 0.467 220 S N -0.863 114.834 115.700 -0.006 0.000 2.498 220 S HA 0.598 5.069 4.470 0.000 0.000 0.324 220 S C 1.154 175.752 174.600 -0.003 0.000 1.071 220 S CA -0.129 58.071 58.200 -0.001 0.000 1.113 220 S CB 1.142 64.340 63.200 -0.003 0.000 0.976 220 S HN 0.910 nan 8.310 nan 0.000 0.462 221 A N 4.440 127.261 122.820 0.003 0.000 1.629 221 A HA -0.361 3.959 4.320 0.000 0.000 0.323 221 A C 1.842 179.426 177.584 0.000 0.000 3.767 221 A CA 2.957 54.997 52.037 0.005 0.000 0.895 221 A CB -1.523 17.483 19.000 0.010 0.000 0.766 221 A HN 0.807 nan 8.150 nan 0.000 0.562 222 Q N -1.047 118.752 119.800 -0.002 0.000 2.408 222 Q HA 0.350 4.690 4.340 0.000 0.000 0.205 222 Q C 0.459 176.441 176.000 -0.030 0.000 0.919 222 Q CA 0.235 56.029 55.803 -0.014 0.000 0.932 222 Q CB -0.126 28.602 28.738 -0.017 0.000 1.058 222 Q HN 0.749 nan 8.270 nan 0.000 0.517 223 M N 2.654 122.238 119.600 -0.026 0.000 2.429 223 M HA 0.221 4.702 4.480 0.000 0.000 0.334 223 M C -2.095 174.190 176.300 -0.025 0.000 1.560 223 M CA -1.585 53.697 55.300 -0.031 0.000 1.291 223 M CB 0.547 33.125 32.600 -0.038 0.000 1.754 223 M HN -0.116 nan 8.290 nan 0.000 0.456 224 P HA -0.034 nan 4.420 nan 0.000 0.267 224 P C -0.213 177.080 177.300 -0.013 0.000 1.200 224 P CA 0.039 63.129 63.100 -0.017 0.000 0.772 224 P CB 0.592 32.283 31.700 -0.016 0.000 0.855 225 K N 3.501 123.896 120.400 -0.008 0.000 3.173 225 K HA 0.216 4.536 4.320 0.000 0.000 0.255 225 K C -0.297 176.302 176.600 -0.001 0.000 1.235 225 K CA 0.226 56.512 56.287 -0.002 0.000 1.250 225 K CB -0.584 31.915 32.500 -0.001 0.000 1.382 225 K HN 0.385 nan 8.250 nan 0.000 0.421 226 K N -0.366 120.034 120.400 0.001 0.000 2.820 226 K HA 0.013 4.333 4.320 0.000 0.000 0.346 226 K C -1.547 175.055 176.600 0.003 0.000 1.337 226 K CA -0.193 56.096 56.287 0.003 0.000 1.114 226 K CB 0.308 32.806 32.500 -0.004 0.000 1.366 226 K HN -0.075 nan 8.250 nan 0.000 0.441 227 V N 1.961 121.882 119.914 0.011 0.000 2.628 227 V HA 0.481 4.601 4.120 0.000 0.000 0.306 227 V C 1.070 177.174 176.094 0.015 0.000 1.045 227 V CA -0.640 61.666 62.300 0.010 0.000 0.905 227 V CB 1.416 33.242 31.823 0.005 0.000 0.997 227 V HN 0.918 nan 8.190 nan 0.000 0.436 228 T N 0.513 115.073 114.554 0.010 0.000 3.306 228 T HA 0.042 4.392 4.350 0.000 0.000 0.187 228 T C 0.266 174.977 174.700 0.018 0.000 0.759 228 T CA 0.464 62.571 62.100 0.012 0.000 2.541 228 T CB -0.023 68.850 68.868 0.007 0.000 1.975 228 T HN 0.642 nan 8.240 nan 0.000 0.370 229 D N 2.266 122.676 120.400 0.016 0.000 2.557 229 D HA 0.534 5.174 4.640 0.000 0.000 0.236 229 D C -0.078 176.235 176.300 0.021 0.000 1.154 229 D CA -0.199 53.813 54.000 0.021 0.000 0.985 229 D CB 0.005 40.815 40.800 0.017 0.000 1.010 229 D HN 0.649 nan 8.370 nan 0.000 0.516 230 A N 2.543 125.378 122.820 0.026 0.000 2.611 230 A HA -0.170 4.150 4.320 0.000 0.000 0.239 230 A C 0.308 177.913 177.584 0.035 0.000 0.995 230 A CA 0.686 52.742 52.037 0.031 0.000 0.813 230 A CB 0.182 19.209 19.000 0.046 0.000 0.880 230 A HN 0.308 nan 8.150 nan 0.000 0.481 231 K N 2.754 123.172 120.400 0.030 0.000 2.459 231 K HA 0.437 4.758 4.320 0.000 0.000 0.218 231 K C -0.548 176.078 176.600 0.043 0.000 1.067 231 K CA -0.371 55.936 56.287 0.033 0.000 1.045 231 K CB 0.173 32.686 32.500 0.022 0.000 1.623 231 K HN 0.534 nan 8.250 nan 0.000 0.509 232 I N 1.604 122.219 120.570 0.075 0.000 3.094 232 I HA 0.025 4.195 4.170 0.000 0.000 0.291 232 I C 0.619 176.789 176.117 0.088 0.000 1.250 232 I CA 0.133 61.502 61.300 0.115 0.000 1.401 232 I CB 0.173 38.297 38.000 0.207 0.000 1.343 232 I HN 0.535 nan 8.210 nan 0.000 0.599 233 A N 6.505 129.382 122.820 0.096 0.000 2.343 233 A HA 0.806 5.127 4.320 0.000 0.000 0.308 233 A C -0.877 176.777 177.584 0.116 0.000 1.092 233 A CA -0.656 51.424 52.037 0.072 0.000 0.751 233 A CB 0.749 19.769 19.000 0.033 0.000 1.203 233 A HN 0.583 nan 8.150 nan 0.000 0.452 234 L N 2.836 124.113 121.223 0.090 0.000 2.317 234 L HA 0.645 4.986 4.340 0.000 0.000 0.281 234 L C -0.645 176.265 176.870 0.065 0.000 1.024 234 L CA -0.661 54.239 54.840 0.101 0.000 0.810 234 L CB 1.590 43.690 42.059 0.067 0.000 1.240 234 L HN 0.584 nan 8.230 nan 0.000 0.427 235 L N 4.390 125.656 121.223 0.071 0.000 2.555 235 L HA 0.258 4.598 4.340 0.000 0.000 0.264 235 L C -0.269 176.628 176.870 0.045 0.000 0.972 235 L CA -0.103 54.766 54.840 0.048 0.000 0.876 235 L CB 1.722 43.808 42.059 0.045 0.000 1.216 235 L HN 0.792 nan 8.230 nan 0.000 0.415 236 N N 2.798 121.518 118.700 0.032 0.000 2.280 236 N HA 0.012 4.752 4.740 0.000 0.000 0.192 236 N C -0.291 175.233 175.510 0.022 0.000 1.109 236 N CA -0.017 53.048 53.050 0.026 0.000 0.855 236 N CB 0.367 38.865 38.487 0.018 0.000 0.974 236 N HN 0.430 nan 8.380 nan 0.000 0.482 237 C N 1.351 120.664 119.300 0.022 0.000 2.660 237 C HA 0.765 5.225 4.460 0.000 0.000 0.336 237 C C -0.248 174.754 174.990 0.019 0.000 1.058 237 C CA -0.214 58.815 59.018 0.018 0.000 1.368 237 C CB -1.024 26.724 27.740 0.014 0.000 1.884 237 C HN 0.610 nan 8.230 nan 0.000 0.454 238 A N 5.015 127.847 122.820 0.019 0.000 1.484 238 A HA -0.204 4.116 4.320 0.000 0.000 0.189 238 A C -0.042 177.552 177.584 0.018 0.000 1.227 238 A CA 0.917 52.964 52.037 0.017 0.000 0.644 238 A CB -1.004 18.005 19.000 0.014 0.000 1.124 238 A HN 1.700 nan 8.150 nan 0.000 0.178 239 I N 1.739 122.321 120.570 0.020 0.000 3.771 239 I HA 0.255 4.426 4.170 0.000 0.000 0.327 239 I C 0.694 176.827 176.117 0.026 0.000 1.435 239 I CA 0.653 61.967 61.300 0.023 0.000 1.259 239 I CB -0.247 37.767 38.000 0.024 0.000 1.292 239 I HN 0.633 nan 8.210 nan 0.000 0.429 240 E N 1.258 121.471 120.200 0.021 0.000 2.141 240 E HA 0.468 4.819 4.350 0.000 0.000 0.259 240 E C -0.924 175.687 176.600 0.019 0.000 0.883 240 E CA -0.559 55.853 56.400 0.020 0.000 0.744 240 E CB 0.891 30.601 29.700 0.017 0.000 1.150 240 E HN 0.048 nan 8.360 nan 0.000 0.420 241 E N 1.832 122.046 120.200 0.023 0.000 2.446 241 E HA 0.306 4.656 4.350 0.000 0.000 0.276 241 E C -0.983 175.630 176.600 0.022 0.000 0.969 241 E CA -0.772 55.641 56.400 0.021 0.000 0.800 241 E CB 1.898 31.611 29.700 0.021 0.000 1.341 241 E HN 0.613 nan 8.360 nan 0.000 0.460 242 T N -1.603 112.963 114.554 0.020 0.000 2.837 242 T HA 0.689 5.039 4.350 0.000 0.000 0.285 242 T C 0.407 175.121 174.700 0.023 0.000 0.984 242 T CA -0.262 61.850 62.100 0.019 0.000 1.049 242 T CB 0.994 69.871 68.868 0.014 0.000 0.947 242 T HN 0.589 nan 8.240 nan 0.000 0.472 243 A N 3.670 126.504 122.820 0.023 0.000 2.592 243 A HA 0.337 4.658 4.320 0.000 0.000 0.234 243 A C 1.182 178.790 177.584 0.041 0.000 1.049 243 A CA 0.966 53.021 52.037 0.030 0.000 0.874 243 A CB -1.539 17.476 19.000 0.025 0.000 0.896 243 A HN 2.069 nan 8.150 nan 0.000 0.466 244 S N -0.762 114.975 115.700 0.062 0.000 3.702 244 S HA -0.260 4.210 4.470 0.000 0.000 0.632 244 S C 1.224 175.873 174.600 0.083 0.000 2.310 244 S CA 1.673 59.921 58.200 0.081 0.000 2.959 244 S CB -1.529 61.725 63.200 0.089 0.000 0.308 244 S HN 2.136 nan 8.310 nan 0.000 1.426 245 E N 0.245 120.479 120.200 0.056 0.000 3.022 245 E HA -0.398 3.953 4.350 0.000 0.000 0.210 245 E C 1.741 178.350 176.600 0.014 0.000 0.881 245 E CA 2.680 59.094 56.400 0.023 0.000 1.524 245 E CB -0.769 28.938 29.700 0.010 0.000 1.544 245 E HN 0.562 nan 8.360 nan 0.000 0.432 246 M N -0.247 119.363 119.600 0.018 0.000 2.108 246 M HA -0.209 4.271 4.480 0.000 0.000 0.257 246 M C 2.679 178.992 176.300 0.022 0.000 1.071 246 M CA 1.890 57.198 55.300 0.014 0.000 1.093 246 M CB -0.374 32.235 32.600 0.014 0.000 1.345 246 M HN 0.521 nan 8.290 nan 0.000 0.403 247 L N 0.201 121.450 121.223 0.043 0.000 2.131 247 L HA -0.190 4.150 4.340 0.000 0.000 0.210 247 L C 2.275 179.195 176.870 0.082 0.000 1.092 247 L CA 1.803 56.683 54.840 0.067 0.000 0.759 247 L CB -0.402 41.700 42.059 0.072 0.000 0.903 247 L HN 0.148 nan 8.230 nan 0.000 0.435 248 K N -0.495 119.934 120.400 0.049 0.000 1.980 248 K HA -0.154 4.166 4.320 0.000 0.000 0.208 248 K C 1.727 178.249 176.600 -0.128 0.000 1.043 248 K CA 1.514 57.737 56.287 -0.106 0.000 0.938 248 K CB -0.180 32.116 32.500 -0.340 0.000 0.724 248 K HN 0.297 nan 8.250 nan 0.000 0.438 249 D N 0.598 120.949 120.400 -0.082 0.000 2.244 249 D HA -0.247 4.393 4.640 0.000 0.000 0.197 249 D C 1.659 177.935 176.300 -0.041 0.000 1.006 249 D CA 1.624 55.589 54.000 -0.059 0.000 0.888 249 D CB -0.127 40.644 40.800 -0.049 0.000 0.912 249 D HN 0.384 nan 8.370 nan 0.000 0.452 250 M N -0.505 119.081 119.600 -0.023 0.000 2.514 250 M HA -0.005 4.475 4.480 0.000 0.000 0.258 250 M C 1.838 178.131 176.300 -0.012 0.000 1.119 250 M CA 0.262 55.556 55.300 -0.011 0.000 1.111 250 M CB 0.718 33.320 32.600 0.004 0.000 1.390 250 M HN -0.134 nan 8.290 nan 0.000 0.475 251 V N -0.449 119.454 119.914 -0.020 0.000 2.878 251 V HA 0.076 4.196 4.120 0.000 0.000 0.250 251 V C 2.259 178.327 176.094 -0.043 0.000 1.075 251 V CA 1.354 63.648 62.300 -0.011 0.000 1.096 251 V CB -0.665 31.183 31.823 0.042 0.000 0.724 251 V HN 0.433 nan 8.190 nan 0.000 0.467 252 A N -0.760 122.011 122.820 -0.080 0.000 2.238 252 A HA 0.013 4.333 4.320 0.000 0.000 0.208 252 A C 2.104 179.657 177.584 -0.052 0.000 1.177 252 A CA 0.689 52.675 52.037 -0.085 0.000 0.804 252 A CB -0.158 18.767 19.000 -0.125 0.000 0.823 252 A HN 0.374 nan 8.150 nan 0.000 0.482 253 E N 0.185 120.362 120.200 -0.039 0.000 2.216 253 E HA 0.028 4.378 4.350 0.000 0.000 0.192 253 E C 1.726 178.316 176.600 -0.017 0.000 0.973 253 E CA 0.541 56.926 56.400 -0.025 0.000 0.851 253 E CB -0.088 29.599 29.700 -0.021 0.000 0.804 253 E HN 0.688 nan 8.360 nan 0.000 0.477 254 I N 0.780 121.340 120.570 -0.016 0.000 2.252 254 I HA -0.227 3.943 4.170 0.000 0.000 0.245 254 I C 2.509 178.617 176.117 -0.015 0.000 1.102 254 I CA 1.099 62.392 61.300 -0.013 0.000 1.385 254 I CB -0.160 37.833 38.000 -0.012 0.000 1.064 254 I HN -0.042 nan 8.210 nan 0.000 0.414 255 K N 1.562 121.950 120.400 -0.020 0.000 2.288 255 K HA -0.037 4.284 4.320 0.000 0.000 0.201 255 K C 2.108 178.697 176.600 -0.019 0.000 1.048 255 K CA 1.025 57.299 56.287 -0.020 0.000 0.956 255 K CB -0.038 32.447 32.500 -0.025 0.000 0.746 255 K HN 0.256 nan 8.250 nan 0.000 0.461 256 A N 0.197 123.005 122.820 -0.020 0.000 1.908 256 A HA -0.204 4.116 4.320 0.000 0.000 0.218 256 A C 2.223 179.801 177.584 -0.011 0.000 1.181 256 A CA 2.225 54.252 52.037 -0.016 0.000 0.627 256 A CB -0.990 17.999 19.000 -0.018 0.000 0.818 256 A HN 0.427 nan 8.150 nan 0.000 0.445 257 S N -2.221 113.474 115.700 -0.008 0.000 2.317 257 S HA 0.315 4.785 4.470 0.000 0.000 0.212 257 S C 1.326 175.925 174.600 -0.002 0.000 1.030 257 S CA 1.904 60.102 58.200 -0.004 0.000 0.970 257 S CB -0.044 63.154 63.200 -0.002 0.000 0.928 257 S HN 1.554 nan 8.310 nan 0.000 0.451 258 G N -0.274 108.524 108.800 -0.003 0.000 4.254 258 G HA2 0.303 4.264 3.960 0.000 0.000 0.221 258 G HA3 0.303 4.264 3.960 0.000 0.000 0.221 258 G C -0.105 174.794 174.900 -0.001 0.000 0.838 258 G CA -0.012 45.087 45.100 -0.002 0.000 1.093 258 G HN 0.776 nan 8.290 nan 0.000 0.761 259 A N 1.280 124.098 122.820 -0.003 0.000 2.484 259 A HA 0.474 4.794 4.320 0.000 0.000 0.268 259 A C 1.306 178.881 177.584 -0.015 0.000 1.114 259 A CA 0.705 52.739 52.037 -0.006 0.000 0.780 259 A CB 0.080 19.074 19.000 -0.009 0.000 1.061 259 A HN 0.778 nan 8.150 nan 0.000 0.505 260 N N 1.926 120.617 118.700 -0.015 0.000 2.336 260 N HA 0.081 4.822 4.740 0.000 0.000 0.189 260 N C -0.526 174.959 175.510 -0.042 0.000 1.113 260 N CA 0.530 53.566 53.050 -0.022 0.000 0.858 260 N CB 0.202 38.679 38.487 -0.017 0.000 0.970 260 N HN 0.255 nan 8.380 nan 0.000 0.471 261 V N 0.481 120.363 119.914 -0.054 0.000 2.817 261 V HA 0.500 4.620 4.120 0.000 0.000 0.303 261 V C -1.310 174.703 176.094 -0.135 0.000 1.151 261 V CA -0.917 61.321 62.300 -0.104 0.000 0.929 261 V CB 1.959 33.757 31.823 -0.041 0.000 1.030 261 V HN 0.158 nan 8.190 nan 0.000 0.427 262 L N 4.582 125.604 121.223 -0.334 0.000 2.588 262 L HA 0.720 5.060 4.340 0.000 0.000 0.263 262 L C -2.059 174.523 176.870 -0.480 0.000 0.935 262 L CA -0.144 54.554 54.840 -0.235 0.000 0.891 262 L CB 1.962 43.948 42.059 -0.122 0.000 1.318 262 L HN 0.557 nan 8.230 nan 0.000 0.409 263 F N 4.037 123.991 119.950 0.005 0.000 2.427 263 F HA 0.491 5.018 4.527 0.000 0.000 0.348 263 F C 0.026 175.827 175.800 0.002 0.000 1.125 263 F CA -0.719 57.282 58.000 0.003 0.000 0.989 263 F CB 1.386 40.385 39.000 -0.002 0.000 1.165 263 F HN 0.472 nan 8.300 nan 0.000 0.442 264 C N 2.128 121.496 119.300 0.114 0.000 2.293 264 C HA 0.355 4.815 4.460 0.000 0.000 0.323 264 C C 1.489 176.523 174.990 0.073 0.000 1.240 264 C CA -0.959 58.106 59.018 0.077 0.000 1.497 264 C CB 0.480 28.243 27.740 0.039 0.000 2.171 264 C HN 1.058 nan 8.230 nan 0.000 0.465 265 Q N 1.238 121.077 119.800 0.066 0.000 2.388 265 Q HA -0.205 4.135 4.340 0.000 0.000 0.216 265 Q C 0.642 176.660 176.000 0.031 0.000 0.997 265 Q CA 1.633 57.461 55.803 0.043 0.000 0.923 265 Q CB 0.161 28.916 28.738 0.029 0.000 0.922 265 Q HN 0.731 nan 8.270 nan 0.000 0.435 266 K N -1.466 118.953 120.400 0.032 0.000 2.433 266 K HA 0.368 4.689 4.320 0.000 0.000 0.252 266 K C 0.069 176.685 176.600 0.025 0.000 1.015 266 K CA -0.038 56.263 56.287 0.024 0.000 0.860 266 K CB 1.010 33.522 32.500 0.020 0.000 1.359 266 K HN 0.152 nan 8.250 nan 0.000 0.452 267 G N 0.724 109.537 108.800 0.021 0.000 2.518 267 G HA2 0.090 4.050 3.960 0.000 0.000 0.467 267 G HA3 0.090 4.050 3.960 0.000 0.000 0.467 267 G C 0.011 174.922 174.900 0.018 0.000 1.268 267 G CA 0.091 45.202 45.100 0.019 0.000 1.268 267 G HN 0.460 nan 8.290 nan 0.000 0.728 268 I N -1.539 119.041 120.570 0.016 0.000 2.908 268 I HA 0.210 4.380 4.170 0.000 0.000 0.300 268 I C -1.820 174.307 176.117 0.016 0.000 1.385 268 I CA -0.752 60.559 61.300 0.018 0.000 1.004 268 I CB 2.560 40.569 38.000 0.014 0.000 1.309 268 I HN 0.457 nan 8.210 nan 0.000 0.449 269 D N 2.784 123.196 120.400 0.020 0.000 2.349 269 D HA 0.292 4.932 4.640 0.000 0.000 0.232 269 D C 0.466 176.772 176.300 0.011 0.000 1.071 269 D CA -0.064 53.945 54.000 0.015 0.000 0.832 269 D CB 1.289 42.101 40.800 0.020 0.000 1.086 269 D HN 0.466 nan 8.370 nan 0.000 0.504 270 D N 2.245 122.645 120.400 -0.000 0.000 3.134 270 D HA -0.374 4.266 4.640 0.000 0.000 0.482 270 D C 2.035 178.322 176.300 -0.023 0.000 1.049 270 D CA 2.265 56.257 54.000 -0.013 0.000 1.379 270 D CB -0.603 40.185 40.800 -0.021 0.000 0.865 270 D HN 0.555 nan 8.370 nan 0.000 0.499 271 L N -0.118 121.076 121.223 -0.049 0.000 2.095 271 L HA -0.378 3.962 4.340 0.000 0.000 0.229 271 L C 2.089 178.927 176.870 -0.054 0.000 1.097 271 L CA 3.392 58.181 54.840 -0.084 0.000 0.813 271 L CB -0.731 41.215 42.059 -0.188 0.000 0.907 271 L HN 0.177 nan 8.230 nan 0.000 0.445 272 A N -0.228 122.629 122.820 0.063 0.000 1.859 272 A HA -0.355 3.966 4.320 0.000 0.000 0.217 272 A C 2.090 179.730 177.584 0.095 0.000 1.198 272 A CA 2.425 54.540 52.037 0.130 0.000 0.629 272 A CB -1.069 18.019 19.000 0.148 0.000 0.830 272 A HN 0.794 nan 8.150 nan 0.000 0.446 273 Q N -0.911 118.916 119.800 0.045 0.000 2.197 273 Q HA -0.297 4.043 4.340 0.000 0.000 0.211 273 Q C 1.977 177.994 176.000 0.027 0.000 0.993 273 Q CA 1.789 57.610 55.803 0.030 0.000 0.883 273 Q CB -0.765 27.979 28.738 0.010 0.000 0.916 273 Q HN 0.879 nan 8.270 nan 0.000 0.418 274 H N -0.084 118.925 119.070 -0.102 0.000 2.321 274 H HA -0.215 4.341 4.556 0.000 0.000 0.295 274 H C 1.443 176.698 175.328 -0.122 0.000 1.102 274 H CA 2.039 57.987 56.048 -0.167 0.000 1.266 274 H CB -0.081 29.532 29.762 -0.249 0.000 1.363 274 H HN 0.353 nan 8.280 nan 0.000 0.492 275 Y N 0.740 121.008 120.300 -0.052 0.000 2.070 275 Y HA -0.210 4.340 4.550 0.000 0.000 0.280 275 Y C 3.059 178.905 175.900 -0.090 0.000 1.148 275 Y CA 1.315 59.369 58.100 -0.077 0.000 1.125 275 Y CB -0.980 37.480 38.460 0.001 0.000 0.975 275 Y HN 0.116 nan 8.280 nan 0.000 0.492 276 L N -0.436 120.848 121.223 0.102 0.000 2.081 276 L HA -0.207 4.133 4.340 0.000 0.000 0.212 276 L C 2.484 179.341 176.870 -0.023 0.000 1.080 276 L CA 1.848 56.700 54.840 0.020 0.000 0.754 276 L CB -1.167 40.894 42.059 0.003 0.000 0.893 276 L HN 0.165 nan 8.230 nan 0.000 0.433 277 A N -0.937 121.852 122.820 -0.052 0.000 2.132 277 A HA -0.056 4.264 4.320 0.000 0.000 0.213 277 A C 2.290 179.807 177.584 -0.112 0.000 1.154 277 A CA 0.722 52.714 52.037 -0.075 0.000 0.753 277 A CB -0.246 18.713 19.000 -0.068 0.000 0.826 277 A HN 0.237 nan 8.150 nan 0.000 0.469 278 K N 0.419 120.714 120.400 -0.175 0.000 2.020 278 K HA -0.192 4.129 4.320 0.000 0.000 0.212 278 K C 1.749 178.312 176.600 -0.062 0.000 1.050 278 K CA 2.200 58.401 56.287 -0.143 0.000 0.929 278 K CB -0.165 32.217 32.500 -0.196 0.000 0.714 278 K HN 0.581 nan 8.250 nan 0.000 0.443 279 E N -1.968 118.211 120.200 -0.035 0.000 2.358 279 E HA 0.057 4.407 4.350 0.000 0.000 0.195 279 E C 0.478 177.063 176.600 -0.026 0.000 1.010 279 E CA 0.584 56.969 56.400 -0.025 0.000 0.856 279 E CB 0.469 30.158 29.700 -0.019 0.000 0.795 279 E HN 0.528 nan 8.360 nan 0.000 0.504 280 G N 1.210 109.991 108.800 -0.032 0.000 2.141 280 G HA2 -0.226 3.734 3.960 0.000 0.000 0.195 280 G HA3 -0.226 3.734 3.960 0.000 0.000 0.195 280 G C 0.038 174.919 174.900 -0.030 0.000 1.012 280 G CA -0.411 44.672 45.100 -0.030 0.000 0.696 280 G HN 0.145 nan 8.290 nan 0.000 0.508 281 I N 1.521 122.071 120.570 -0.034 0.000 2.452 281 I HA 0.325 4.495 4.170 0.000 0.000 0.287 281 I C 1.352 177.435 176.117 -0.057 0.000 1.079 281 I CA -0.599 60.676 61.300 -0.042 0.000 1.387 281 I CB 1.054 39.033 38.000 -0.035 0.000 1.404 281 I HN 0.187 nan 8.210 nan 0.000 0.522 282 V N 4.081 123.948 119.914 -0.078 0.000 2.863 282 V HA 0.935 5.055 4.120 0.000 0.000 0.307 282 V C 0.060 176.060 176.094 -0.157 0.000 1.061 282 V CA -0.402 61.837 62.300 -0.101 0.000 1.024 282 V CB 1.497 33.259 31.823 -0.103 0.000 1.049 282 V HN 0.853 nan 8.190 nan 0.000 0.471 283 A N 2.447 125.171 122.820 -0.160 0.000 2.574 283 A HA 0.912 5.232 4.320 0.000 0.000 0.297 283 A C -0.418 177.056 177.584 -0.185 0.000 1.062 283 A CA -0.312 51.604 52.037 -0.201 0.000 0.686 283 A CB 1.584 20.521 19.000 -0.104 0.000 1.285 283 A HN 2.339 nan 8.150 nan 0.000 0.403 284 A N 2.234 124.925 122.820 -0.214 0.000 2.316 284 A HA 0.631 4.951 4.320 0.000 0.000 0.324 284 A C 0.387 177.985 177.584 0.024 0.000 1.375 284 A CA -0.550 51.449 52.037 -0.063 0.000 0.882 284 A CB -0.005 19.037 19.000 0.070 0.000 1.152 284 A HN 1.104 nan 8.150 nan 0.000 0.512 285 R N 1.324 121.836 120.500 0.020 0.000 2.574 285 R HA 0.480 4.820 4.340 0.000 0.000 0.266 285 R C 0.089 176.418 176.300 0.048 0.000 1.157 285 R CA -0.714 55.406 56.100 0.034 0.000 1.187 285 R CB 0.216 30.529 30.300 0.021 0.000 1.179 285 R HN 0.491 nan 8.270 nan 0.000 0.600 286 R N -0.107 120.416 120.500 0.038 0.000 2.064 286 R HA -0.163 4.177 4.340 0.000 0.000 0.175 286 R C -0.225 176.101 176.300 0.043 0.000 0.591 286 R CA 0.777 56.899 56.100 0.036 0.000 0.395 286 R CB -1.842 28.472 30.300 0.024 0.000 1.554 286 R HN 0.379 nan 8.270 nan 0.000 0.575 287 V N 0.890 120.846 119.914 0.069 0.000 2.678 287 V HA -0.182 3.938 4.120 0.000 0.000 0.304 287 V C 1.100 177.215 176.094 0.034 0.000 1.086 287 V CA 0.681 63.022 62.300 0.069 0.000 1.246 287 V CB 0.127 32.033 31.823 0.139 0.000 0.861 287 V HN 0.232 nan 8.190 nan 0.000 0.491 288 K N 3.664 124.069 120.400 0.009 0.000 2.180 288 K HA 0.154 4.474 4.320 0.000 0.000 0.251 288 K C 1.307 177.900 176.600 -0.011 0.000 1.014 288 K CA -0.296 55.989 56.287 -0.002 0.000 0.913 288 K CB 0.345 32.839 32.500 -0.009 0.000 1.008 288 K HN 0.653 nan 8.250 nan 0.000 0.490 289 K N 1.242 121.636 120.400 -0.010 0.000 2.026 289 K HA -0.226 4.094 4.320 0.000 0.000 0.208 289 K C 1.694 178.278 176.600 -0.027 0.000 1.048 289 K CA 1.879 58.157 56.287 -0.014 0.000 0.929 289 K CB -0.216 32.279 32.500 -0.007 0.000 0.713 289 K HN 0.701 nan 8.250 nan 0.000 0.439 290 S N 1.612 117.294 115.700 -0.030 0.000 2.206 290 S HA -0.317 4.153 4.470 0.000 0.000 0.454 290 S C 1.396 175.960 174.600 -0.059 0.000 1.033 290 S CA 2.730 60.906 58.200 -0.040 0.000 2.646 290 S CB -1.312 61.866 63.200 -0.037 0.000 1.946 290 S HN 0.534 nan 8.310 nan 0.000 0.522 291 D N 0.547 120.905 120.400 -0.070 0.000 2.221 291 D HA -0.042 4.598 4.640 0.000 0.000 0.204 291 D C 1.964 178.185 176.300 -0.132 0.000 0.982 291 D CA 1.242 55.177 54.000 -0.108 0.000 0.857 291 D CB -0.345 40.388 40.800 -0.112 0.000 0.934 291 D HN 0.312 nan 8.370 nan 0.000 0.475 292 M N 0.187 119.737 119.600 -0.083 0.000 2.098 292 M HA -0.047 4.434 4.480 0.000 0.000 0.262 292 M C 1.754 178.011 176.300 -0.070 0.000 1.072 292 M CA 1.457 56.718 55.300 -0.065 0.000 1.133 292 M CB -0.612 31.974 32.600 -0.024 0.000 1.344 292 M HN -0.049 nan 8.290 nan 0.000 0.414 293 E N -0.819 119.344 120.200 -0.061 0.000 2.285 293 E HA -0.111 4.239 4.350 0.000 0.000 0.194 293 E C 1.822 178.379 176.600 -0.073 0.000 0.997 293 E CA 0.596 56.962 56.400 -0.057 0.000 0.845 293 E CB 0.099 29.774 29.700 -0.042 0.000 0.782 293 E HN 0.464 nan 8.360 nan 0.000 0.491 294 K N 0.301 120.647 120.400 -0.090 0.000 2.097 294 K HA -0.084 4.236 4.320 0.000 0.000 0.205 294 K C 1.910 178.428 176.600 -0.136 0.000 1.050 294 K CA 0.869 57.091 56.287 -0.108 0.000 0.938 294 K CB -0.006 32.436 32.500 -0.097 0.000 0.718 294 K HN 0.111 nan 8.250 nan 0.000 0.442 295 L N 0.512 121.628 121.223 -0.179 0.000 2.156 295 L HA -0.052 4.288 4.340 0.000 0.000 0.208 295 L C 2.535 179.330 176.870 -0.125 0.000 1.095 295 L CA 0.762 55.471 54.840 -0.217 0.000 0.770 295 L CB -0.448 41.384 42.059 -0.379 0.000 0.914 295 L HN 0.159 nan 8.230 nan 0.000 0.439 296 A N 0.367 123.131 122.820 -0.093 0.000 1.929 296 A HA -0.160 4.161 4.320 0.000 0.000 0.216 296 A C 2.281 179.811 177.584 -0.090 0.000 1.176 296 A CA 1.508 53.503 52.037 -0.069 0.000 0.628 296 A CB -0.181 18.788 19.000 -0.052 0.000 0.816 296 A HN 0.296 nan 8.150 nan 0.000 0.444 297 K N -0.230 120.108 120.400 -0.104 0.000 2.262 297 K HA 0.319 4.639 4.320 0.000 0.000 0.200 297 K C 2.078 178.592 176.600 -0.143 0.000 1.049 297 K CA 0.620 56.824 56.287 -0.137 0.000 0.979 297 K CB -0.242 32.188 32.500 -0.117 0.000 0.773 297 K HN 0.393 nan 8.250 nan 0.000 0.474 298 A N 1.599 124.355 122.820 -0.106 0.000 2.106 298 A HA -0.333 3.987 4.320 0.000 0.000 0.207 298 A C 2.188 179.730 177.584 -0.070 0.000 1.226 298 A CA 3.206 55.193 52.037 -0.083 0.000 0.783 298 A CB -1.842 17.112 19.000 -0.076 0.000 0.826 298 A HN 0.490 nan 8.150 nan 0.000 0.507 299 T N -2.954 111.567 114.554 -0.055 0.000 2.276 299 T HA -0.162 4.188 4.350 0.000 0.000 0.194 299 T C 2.083 176.759 174.700 -0.040 0.000 1.588 299 T CA 4.035 66.116 62.100 -0.033 0.000 0.984 299 T CB -1.391 67.478 68.868 0.001 0.000 0.784 299 T HN 2.546 nan 8.240 nan 0.000 0.455 300 G N 0.796 109.552 108.800 -0.073 0.000 2.421 300 G HA2 0.307 4.267 3.960 0.000 0.000 0.188 300 G HA3 0.307 4.267 3.960 0.000 0.000 0.188 300 G C 0.440 175.306 174.900 -0.056 0.000 1.001 300 G CA 0.533 45.584 45.100 -0.082 0.000 0.693 300 G HN 1.700 nan 8.290 nan 0.000 0.479 301 A N 0.686 123.484 122.820 -0.036 0.000 2.561 301 A HA 0.454 4.774 4.320 0.000 0.000 0.234 301 A C 0.563 178.134 177.584 -0.021 0.000 1.055 301 A CA 0.914 52.941 52.037 -0.017 0.000 0.756 301 A CB -0.181 18.815 19.000 -0.007 0.000 0.986 301 A HN 1.331 nan 8.150 nan 0.000 0.505 302 N N 1.190 119.886 118.700 -0.006 0.000 2.406 302 N HA 0.371 5.111 4.740 0.000 0.000 0.251 302 N C -0.602 174.908 175.510 0.001 0.000 1.069 302 N CA -0.649 52.399 53.050 -0.004 0.000 0.947 302 N CB 0.849 39.330 38.487 -0.010 0.000 1.111 302 N HN 0.333 nan 8.380 nan 0.000 0.497 303 V N 2.100 122.013 119.914 -0.003 0.000 2.452 303 V HA 0.012 4.132 4.120 0.000 0.000 0.286 303 V C 1.065 177.163 176.094 0.006 0.000 0.995 303 V CA -0.569 61.732 62.300 0.002 0.000 1.116 303 V CB -1.331 30.489 31.823 -0.004 0.000 0.954 303 V HN 0.765 nan 8.190 nan 0.000 0.473 304 I N 2.667 123.243 120.570 0.011 0.000 2.488 304 I HA 0.522 4.692 4.170 0.000 0.000 0.299 304 I C 1.393 177.517 176.117 0.012 0.000 0.984 304 I CA -0.177 61.130 61.300 0.011 0.000 1.250 304 I CB 2.028 40.036 38.000 0.013 0.000 1.389 304 I HN 0.709 nan 8.210 nan 0.000 0.488 305 T N 3.036 117.596 114.554 0.010 0.000 2.456 305 T HA -0.138 4.213 4.350 0.000 0.000 0.235 305 T C 1.095 175.803 174.700 0.012 0.000 1.299 305 T CA 0.967 63.072 62.100 0.010 0.000 1.429 305 T CB -0.517 68.356 68.868 0.008 0.000 0.916 305 T HN 0.770 nan 8.240 nan 0.000 0.387 306 N N 0.515 119.221 118.700 0.011 0.000 2.294 306 N HA 0.074 4.814 4.740 0.000 0.000 0.248 306 N C 1.435 176.953 175.510 0.014 0.000 1.300 306 N CA -0.146 52.911 53.050 0.012 0.000 0.925 306 N CB 0.340 38.833 38.487 0.009 0.000 1.188 306 N HN 0.411 nan 8.380 nan 0.000 0.512 307 I N 0.927 121.505 120.570 0.014 0.000 2.242 307 I HA -0.331 3.839 4.170 0.000 0.000 0.242 307 I C 1.900 178.023 176.117 0.010 0.000 0.998 307 I CA 2.042 63.350 61.300 0.013 0.000 1.283 307 I CB -0.054 37.953 38.000 0.013 0.000 0.985 307 I HN 0.770 nan 8.210 nan 0.000 0.415 308 K N -1.677 118.728 120.400 0.008 0.000 2.529 308 K HA -0.014 4.306 4.320 0.000 0.000 0.215 308 K C 1.274 177.876 176.600 0.003 0.000 1.286 308 K CA 0.372 56.661 56.287 0.004 0.000 0.997 308 K CB 0.159 32.661 32.500 0.004 0.000 1.063 308 K HN 0.212 nan 8.250 nan 0.000 0.590 309 D N 1.598 122.000 120.400 0.005 0.000 6.235 309 D HA -0.293 4.348 4.640 0.000 0.000 0.293 309 D C 0.885 177.190 176.300 0.007 0.000 1.817 309 D CA 1.614 55.618 54.000 0.006 0.000 0.850 309 D CB -0.347 40.458 40.800 0.008 0.000 0.721 309 D HN 0.210 nan 8.370 nan 0.000 0.899 310 L N 0.101 121.329 121.223 0.008 0.000 2.482 310 L HA 0.260 4.600 4.340 0.000 0.000 0.273 310 L C 0.218 177.092 176.870 0.007 0.000 1.228 310 L CA 0.654 55.501 54.840 0.011 0.000 0.827 310 L CB 0.974 43.039 42.059 0.010 0.000 1.099 310 L HN 0.101 nan 8.230 nan 0.000 0.494 311 S N 0.433 116.139 115.700 0.010 0.000 2.727 311 S HA 0.499 4.970 4.470 0.000 0.000 0.275 311 S C -0.235 174.372 174.600 0.011 0.000 0.995 311 S CA -0.147 58.058 58.200 0.008 0.000 0.893 311 S CB 0.332 63.536 63.200 0.007 0.000 1.135 311 S HN 0.914 nan 8.310 nan 0.000 0.460 312 A N 0.640 123.465 122.820 0.009 0.000 2.379 312 A HA 0.518 4.838 4.320 0.000 0.000 0.236 312 A C 0.651 178.243 177.584 0.012 0.000 1.272 312 A CA 1.442 53.485 52.037 0.010 0.000 0.886 312 A CB -0.420 18.585 19.000 0.007 0.000 0.962 312 A HN 0.838 nan 8.150 nan 0.000 0.504 313 Q N -2.007 117.801 119.800 0.013 0.000 7.947 313 Q HA -0.128 4.213 4.340 0.000 0.000 0.369 313 Q C -0.466 175.542 176.000 0.013 0.000 0.949 313 Q CA 0.310 56.120 55.803 0.012 0.000 0.540 313 Q CB -1.005 27.739 28.738 0.011 0.000 0.156 313 Q HN 0.177 nan 8.270 nan 0.000 0.898 314 D N 1.980 122.387 120.400 0.012 0.000 2.813 314 D HA 0.209 4.850 4.640 0.000 0.000 0.248 314 D C -0.489 175.821 176.300 0.017 0.000 1.254 314 D CA 0.743 54.750 54.000 0.013 0.000 0.921 314 D CB -0.456 40.350 40.800 0.011 0.000 1.118 314 D HN 0.181 nan 8.370 nan 0.000 0.450 315 L N -0.727 120.507 121.223 0.017 0.000 2.436 315 L HA 0.519 4.860 4.340 0.000 0.000 0.268 315 L C 0.964 177.847 176.870 0.022 0.000 0.974 315 L CA -1.156 53.698 54.840 0.023 0.000 0.826 315 L CB 2.195 44.270 42.059 0.028 0.000 1.291 315 L HN -0.127 nan 8.230 nan 0.000 0.406 316 G N 0.000 108.818 108.800 0.030 0.000 2.543 316 G HA2 0.465 4.425 3.960 0.000 0.000 0.290 316 G HA3 0.465 4.425 3.960 0.000 0.000 0.290 316 G C -1.331 173.588 174.900 0.032 0.000 1.310 316 G CA 0.029 45.146 45.100 0.028 0.000 1.025 316 G HN 0.618 nan 8.290 nan 0.000 0.502 317 D N -1.070 119.349 120.400 0.032 0.000 2.351 317 D HA 0.526 5.166 4.640 0.000 0.000 0.235 317 D C -0.565 175.756 176.300 0.036 0.000 1.331 317 D CA -0.044 53.976 54.000 0.033 0.000 0.959 317 D CB 0.965 41.783 40.800 0.031 0.000 1.432 317 D HN 0.566 nan 8.370 nan 0.000 0.544 318 A N 1.082 123.929 122.820 0.044 0.000 2.356 318 A HA 0.677 4.997 4.320 0.000 0.000 0.310 318 A C 1.238 178.851 177.584 0.047 0.000 1.075 318 A CA -0.304 51.763 52.037 0.050 0.000 0.746 318 A CB 1.615 20.656 19.000 0.068 0.000 1.221 318 A HN 0.438 nan 8.150 nan 0.000 0.443 319 G N 0.525 109.352 108.800 0.044 0.000 2.511 319 G HA2 0.357 4.317 3.960 0.000 0.000 0.217 319 G HA3 0.357 4.317 3.960 0.000 0.000 0.217 319 G C 0.084 175.005 174.900 0.035 0.000 1.133 319 G CA 0.840 45.961 45.100 0.036 0.000 0.792 319 G HN 0.522 nan 8.290 nan 0.000 0.539 320 L N -0.355 120.896 121.223 0.046 0.000 2.472 320 L HA 0.587 4.927 4.340 0.000 0.000 0.260 320 L C -1.273 175.643 176.870 0.076 0.000 0.963 320 L CA -0.603 54.264 54.840 0.045 0.000 0.829 320 L CB 2.918 44.995 42.059 0.030 0.000 1.348 320 L HN -0.172 nan 8.230 nan 0.000 0.408 321 V N 2.682 122.644 119.914 0.079 0.000 2.516 321 V HA 0.483 4.604 4.120 0.000 0.000 0.271 321 V C -0.671 175.479 176.094 0.093 0.000 0.992 321 V CA -0.535 61.836 62.300 0.119 0.000 0.857 321 V CB 1.386 33.286 31.823 0.127 0.000 1.047 321 V HN 0.751 nan 8.190 nan 0.000 0.455 322 E N 2.637 122.896 120.200 0.098 0.000 2.266 322 E HA 0.401 4.751 4.350 0.000 0.000 0.268 322 E C -0.482 176.182 176.600 0.107 0.000 0.879 322 E CA -0.708 55.724 56.400 0.053 0.000 0.762 322 E CB 1.946 31.632 29.700 -0.023 0.000 1.199 322 E HN 0.641 nan 8.360 nan 0.000 0.422 323 E N 4.345 124.599 120.200 0.090 0.000 1.985 323 E HA 0.051 4.401 4.350 0.000 0.000 0.268 323 E C -0.790 175.866 176.600 0.093 0.000 1.219 323 E CA 0.039 56.508 56.400 0.115 0.000 0.942 323 E CB 0.341 30.088 29.700 0.078 0.000 1.045 323 E HN 0.312 nan 8.360 nan 0.000 0.413 324 R N 3.908 124.491 120.500 0.139 0.000 2.255 324 R HA 0.201 4.541 4.340 0.000 0.000 0.326 324 R C -0.274 176.096 176.300 0.117 0.000 0.986 324 R CA -0.563 55.572 56.100 0.059 0.000 0.847 324 R CB 1.195 31.438 30.300 -0.096 0.000 1.111 324 R HN 0.258 nan 8.270 nan 0.000 0.452 325 K N 3.197 123.638 120.400 0.067 0.000 2.379 325 K HA 0.209 4.529 4.320 0.000 0.000 0.284 325 K C -0.573 176.070 176.600 0.071 0.000 1.044 325 K CA 0.261 56.588 56.287 0.067 0.000 0.974 325 K CB 0.535 33.059 32.500 0.041 0.000 0.962 325 K HN 0.465 nan 8.250 nan 0.000 0.474 326 I N 3.062 123.683 120.570 0.086 0.000 2.499 326 I HA 0.035 4.205 4.170 0.000 0.000 0.288 326 I C -0.275 175.876 176.117 0.057 0.000 1.048 326 I CA -0.244 61.107 61.300 0.086 0.000 1.062 326 I CB 1.716 39.797 38.000 0.135 0.000 1.238 326 I HN 0.837 nan 8.210 nan 0.000 0.426 327 S N 4.639 120.365 115.700 0.044 0.000 3.268 327 S HA -0.187 4.283 4.470 0.000 0.000 0.347 327 S C 0.574 175.191 174.600 0.029 0.000 0.925 327 S CA 0.664 58.884 58.200 0.032 0.000 1.286 327 S CB -1.555 61.661 63.200 0.028 0.000 0.890 327 S HN 1.049 nan 8.310 nan 0.000 0.495 328 G N 2.270 111.088 108.800 0.030 0.000 3.101 328 G HA2 0.356 4.316 3.960 0.000 0.000 0.272 328 G HA3 0.356 4.316 3.960 0.000 0.000 0.272 328 G C -0.191 174.728 174.900 0.031 0.000 0.801 328 G CA -0.465 44.656 45.100 0.035 0.000 1.978 328 G HN 0.690 nan 8.290 nan 0.000 0.591 329 D N 1.305 121.724 120.400 0.033 0.000 2.520 329 D HA 0.016 4.656 4.640 0.000 0.000 0.243 329 D C 0.529 176.860 176.300 0.052 0.000 1.160 329 D CA 0.791 54.813 54.000 0.036 0.000 0.877 329 D CB 0.910 41.727 40.800 0.028 0.000 1.150 329 D HN 0.244 nan 8.370 nan 0.000 0.494 330 S N 3.119 118.851 115.700 0.053 0.000 2.465 330 S HA 0.431 4.901 4.470 0.000 0.000 0.279 330 S C 0.485 175.133 174.600 0.079 0.000 1.201 330 S CA -0.772 57.471 58.200 0.072 0.000 1.053 330 S CB 0.822 64.062 63.200 0.066 0.000 0.953 330 S HN 0.293 nan 8.310 nan 0.000 0.488 331 M N 3.050 122.719 119.600 0.115 0.000 2.456 331 M HA 0.522 5.003 4.480 0.000 0.000 0.324 331 M C -0.660 175.748 176.300 0.180 0.000 1.124 331 M CA -0.639 54.721 55.300 0.099 0.000 0.959 331 M CB 1.353 33.964 32.600 0.018 0.000 1.692 331 M HN 0.432 nan 8.290 nan 0.000 0.444 332 I N 2.245 122.903 120.570 0.146 0.000 2.441 332 I HA 0.275 4.445 4.170 0.000 0.000 0.287 332 I C -0.913 175.325 176.117 0.201 0.000 1.049 332 I CA -0.160 61.282 61.300 0.236 0.000 1.381 332 I CB 0.372 38.570 38.000 0.331 0.000 1.409 332 I HN 0.437 nan 8.210 nan 0.000 0.523 333 F N 5.088 125.080 119.950 0.071 0.000 2.425 333 F HA 0.552 5.079 4.527 0.000 0.000 0.331 333 F C 0.170 176.005 175.800 0.059 0.000 1.085 333 F CA -0.924 57.101 58.000 0.042 0.000 1.028 333 F CB 1.665 40.681 39.000 0.028 0.000 1.177 333 F HN -0.020 nan 8.300 nan 0.000 0.487 334 V N 2.122 122.152 119.914 0.193 0.000 2.629 334 V HA 0.240 4.360 4.120 0.000 0.000 0.263 334 V C -0.545 175.606 176.094 0.094 0.000 0.959 334 V CA -0.858 61.516 62.300 0.124 0.000 0.869 334 V CB 0.513 32.356 31.823 0.034 0.000 1.060 334 V HN 0.808 nan 8.190 nan 0.000 0.474 335 E N 1.650 121.921 120.200 0.119 0.000 2.285 335 E HA 0.730 5.080 4.350 0.000 0.000 0.254 335 E C -0.236 176.400 176.600 0.060 0.000 1.011 335 E CA -0.968 55.483 56.400 0.086 0.000 0.873 335 E CB 1.228 30.993 29.700 0.110 0.000 1.229 335 E HN 0.226 nan 8.360 nan 0.000 0.422 336 E N -0.987 119.243 120.200 0.049 0.000 2.297 336 E HA -0.178 4.172 4.350 0.000 0.000 0.228 336 E C -1.188 175.434 176.600 0.036 0.000 1.213 336 E CA 0.210 56.634 56.400 0.039 0.000 0.712 336 E CB -1.664 28.055 29.700 0.033 0.000 1.202 336 E HN 0.543 nan 8.360 nan 0.000 0.376 337 C N 0.961 120.282 119.300 0.035 0.000 2.596 337 C HA -0.008 4.452 4.460 0.000 0.000 0.414 337 C C 2.198 177.213 174.990 0.042 0.000 1.396 337 C CA 0.319 59.355 59.018 0.030 0.000 1.698 337 C CB 0.556 28.304 27.740 0.014 0.000 2.572 337 C HN 0.560 nan 8.230 nan 0.000 0.604 338 K N 2.242 122.672 120.400 0.051 0.000 1.991 338 K HA -0.182 4.138 4.320 0.000 0.000 0.212 338 K C 0.708 177.379 176.600 0.117 0.000 1.049 338 K CA 1.816 58.145 56.287 0.070 0.000 0.932 338 K CB -0.119 32.426 32.500 0.076 0.000 0.717 338 K HN 0.870 nan 8.250 nan 0.000 0.441 339 H N 0.736 119.809 119.070 0.005 0.000 2.538 339 H HA 0.346 4.902 4.556 0.000 0.000 0.239 339 H C -2.771 172.556 175.328 -0.001 0.000 1.401 339 H CA -2.634 53.415 56.048 0.002 0.000 1.499 339 H CB 0.834 30.597 29.762 0.002 0.000 1.624 339 H HN 0.045 nan 8.280 nan 0.000 0.524 340 P HA 0.077 nan 4.420 nan 0.000 0.277 340 P C 0.497 177.832 177.300 0.058 0.000 1.354 340 P CA -0.452 62.658 63.100 0.017 0.000 0.891 340 P CB 1.442 33.155 31.700 0.021 0.000 1.058 341 K N 3.558 123.956 120.400 -0.003 0.000 2.097 341 K HA -0.176 4.144 4.320 0.000 0.000 0.214 341 K C 0.632 177.231 176.600 -0.002 0.000 1.052 341 K CA 1.646 57.940 56.287 0.012 0.000 0.932 341 K CB -1.678 30.895 32.500 0.121 0.000 0.716 341 K HN 0.436 nan 8.250 nan 0.000 0.455 342 A N -0.252 122.548 122.820 -0.033 0.000 2.430 342 A HA 0.758 5.078 4.320 0.000 0.000 0.300 342 A C -1.267 176.297 177.584 -0.032 0.000 1.124 342 A CA -0.149 51.868 52.037 -0.032 0.000 0.766 342 A CB 2.313 21.284 19.000 -0.049 0.000 1.328 342 A HN 0.587 nan 8.150 nan 0.000 0.424 343 V N 0.645 120.541 119.914 -0.031 0.000 2.775 343 V HA 0.583 4.703 4.120 0.000 0.000 0.295 343 V C -0.774 175.299 176.094 -0.033 0.000 1.226 343 V CA -0.045 62.240 62.300 -0.024 0.000 0.934 343 V CB 1.631 33.450 31.823 -0.007 0.000 1.056 343 V HN 1.051 nan 8.190 nan 0.000 0.436 344 T N 7.749 122.276 114.554 -0.045 0.000 2.922 344 T HA 0.514 4.865 4.350 0.000 0.000 0.285 344 T C -0.155 174.522 174.700 -0.039 0.000 1.005 344 T CA -0.269 61.797 62.100 -0.057 0.000 1.061 344 T CB 1.269 70.083 68.868 -0.090 0.000 1.007 344 T HN 0.778 nan 8.240 nan 0.000 0.502 345 M N 3.931 123.508 119.600 -0.038 0.000 2.065 345 M HA 0.399 4.880 4.480 0.000 0.000 0.308 345 M C -0.830 175.455 176.300 -0.024 0.000 0.939 345 M CA -0.621 54.668 55.300 -0.019 0.000 0.890 345 M CB 0.268 32.858 32.600 -0.016 0.000 1.383 345 M HN 0.522 nan 8.290 nan 0.000 0.381 346 L N 5.256 126.467 121.223 -0.021 0.000 2.578 346 L HA 0.094 4.435 4.340 0.000 0.000 0.279 346 L C -0.866 176.007 176.870 0.004 0.000 1.227 346 L CA 0.718 55.549 54.840 -0.016 0.000 0.900 346 L CB 0.255 42.330 42.059 0.027 0.000 1.144 346 L HN 0.592 nan 8.230 nan 0.000 0.496 347 I N 4.496 125.063 120.570 -0.005 0.000 2.420 347 I HA 0.412 4.582 4.170 0.000 0.000 0.282 347 I C -0.298 175.826 176.117 0.012 0.000 1.019 347 I CA -0.792 60.510 61.300 0.003 0.000 1.130 347 I CB 1.051 39.050 38.000 -0.003 0.000 1.262 347 I HN 0.493 nan 8.210 nan 0.000 0.454 348 R N 4.060 124.573 120.500 0.022 0.000 2.531 348 R HA 0.761 5.101 4.340 0.000 0.000 0.273 348 R C 0.279 176.591 176.300 0.021 0.000 1.070 348 R CA -0.610 55.506 56.100 0.025 0.000 1.112 348 R CB 0.875 31.197 30.300 0.037 0.000 1.049 348 R HN 0.755 nan 8.270 nan 0.000 0.508 349 G N -0.564 108.249 108.800 0.022 0.000 3.119 349 G HA2 0.410 4.370 3.960 0.000 0.000 0.206 349 G HA3 0.410 4.370 3.960 0.000 0.000 0.206 349 G C 0.114 175.028 174.900 0.024 0.000 1.313 349 G CA -0.072 45.041 45.100 0.022 0.000 1.010 349 G HN 0.591 nan 8.290 nan 0.000 0.578 350 T N -3.579 110.992 114.554 0.028 0.000 3.254 350 T HA 0.271 4.621 4.350 0.000 0.000 0.267 350 T C 0.950 175.671 174.700 0.034 0.000 0.946 350 T CA 0.773 62.890 62.100 0.029 0.000 0.991 350 T CB 0.319 69.203 68.868 0.026 0.000 1.205 350 T HN 0.611 nan 8.240 nan 0.000 0.494 351 T N 0.794 115.376 114.554 0.047 0.000 2.844 351 T HA 0.407 4.757 4.350 0.000 0.000 0.274 351 T C 0.377 175.103 174.700 0.044 0.000 0.991 351 T CA -0.418 61.715 62.100 0.055 0.000 0.983 351 T CB 1.808 70.714 68.868 0.063 0.000 1.310 351 T HN 0.139 nan 8.240 nan 0.000 0.596 352 E N -0.634 119.586 120.200 0.034 0.000 2.409 352 E HA -0.026 4.324 4.350 0.000 0.000 0.198 352 E C 1.447 177.993 176.600 -0.089 0.000 1.024 352 E CA 0.822 57.206 56.400 -0.027 0.000 0.861 352 E CB -0.042 29.631 29.700 -0.044 0.000 0.788 352 E HN 0.525 nan 8.360 nan 0.000 0.521 353 H N -0.805 118.266 119.070 0.002 0.000 2.256 353 H HA -0.103 4.454 4.556 0.000 0.000 0.299 353 H C 1.835 177.164 175.328 0.003 0.000 1.071 353 H CA 1.810 57.859 56.048 0.002 0.000 1.280 353 H CB -0.212 29.552 29.762 0.003 0.000 1.370 353 H HN 0.003 nan 8.280 nan 0.000 0.490 354 V N 0.809 120.799 119.914 0.127 0.000 3.026 354 V HA -0.178 3.942 4.120 0.000 0.000 0.265 354 V C 1.954 178.067 176.094 0.031 0.000 1.121 354 V CA 1.394 63.736 62.300 0.070 0.000 1.142 354 V CB -0.769 31.088 31.823 0.057 0.000 0.730 354 V HN 0.390 nan 8.190 nan 0.000 0.503 355 I N -0.470 120.106 120.570 0.011 0.000 2.556 355 I HA -0.041 4.129 4.170 0.000 0.000 0.251 355 I C 2.499 178.601 176.117 -0.025 0.000 1.105 355 I CA 0.761 62.057 61.300 -0.007 0.000 1.436 355 I CB -0.349 37.641 38.000 -0.017 0.000 1.139 355 I HN 0.229 nan 8.210 nan 0.000 0.438 356 E N 1.208 121.376 120.200 -0.053 0.000 2.110 356 E HA -0.292 4.059 4.350 0.000 0.000 0.193 356 E C 1.863 178.438 176.600 -0.042 0.000 0.988 356 E CA 1.561 57.917 56.400 -0.073 0.000 0.804 356 E CB -0.153 29.465 29.700 -0.138 0.000 0.745 356 E HN 0.481 nan 8.360 nan 0.000 0.458 357 E N 1.393 121.584 120.200 -0.015 0.000 2.055 357 E HA -0.241 4.109 4.350 0.000 0.000 0.209 357 E C 2.017 178.620 176.600 0.005 0.000 1.036 357 E CA 2.428 58.834 56.400 0.010 0.000 0.849 357 E CB -0.448 29.276 29.700 0.040 0.000 0.767 357 E HN 0.062 nan 8.360 nan 0.000 0.461 358 V N 0.866 120.783 119.914 0.005 0.000 2.660 358 V HA -0.273 3.847 4.120 0.000 0.000 0.257 358 V C 2.377 178.468 176.094 -0.005 0.000 1.088 358 V CA 1.847 64.149 62.300 0.002 0.000 1.106 358 V CB -1.217 30.610 31.823 0.006 0.000 0.686 358 V HN 0.549 nan 8.190 nan 0.000 0.481 359 A N 0.121 122.933 122.820 -0.013 0.000 1.903 359 A HA -0.050 4.270 4.320 0.000 0.000 0.213 359 A C 2.417 179.991 177.584 -0.016 0.000 1.185 359 A CA 1.020 53.045 52.037 -0.020 0.000 0.628 359 A CB -0.326 18.656 19.000 -0.029 0.000 0.830 359 A HN 0.461 nan 8.150 nan 0.000 0.446 360 R N -0.101 120.391 120.500 -0.013 0.000 2.070 360 R HA -0.077 4.264 4.340 0.000 0.000 0.233 360 R C 2.332 178.631 176.300 -0.002 0.000 1.137 360 R CA 1.285 57.380 56.100 -0.007 0.000 0.945 360 R CB -0.561 29.735 30.300 -0.006 0.000 0.845 360 R HN 0.454 nan 8.270 nan 0.000 0.430 361 A N 0.551 123.373 122.820 0.003 0.000 2.194 361 A HA -0.132 4.188 4.320 0.000 0.000 0.220 361 A C 2.167 179.753 177.584 0.003 0.000 1.162 361 A CA 1.411 53.452 52.037 0.006 0.000 0.674 361 A CB -0.372 18.634 19.000 0.011 0.000 0.789 361 A HN 0.247 nan 8.150 nan 0.000 0.470 362 V N -0.987 118.927 119.914 -0.001 0.000 2.575 362 V HA -0.058 4.062 4.120 0.000 0.000 0.242 362 V C 1.901 177.992 176.094 -0.005 0.000 1.045 362 V CA 1.811 64.109 62.300 -0.003 0.000 1.065 362 V CB -0.237 31.583 31.823 -0.005 0.000 0.717 362 V HN 0.468 nan 8.190 nan 0.000 0.467 363 D N 0.511 120.907 120.400 -0.007 0.000 2.104 363 D HA -0.159 4.481 4.640 0.000 0.000 0.194 363 D C 1.796 178.093 176.300 -0.005 0.000 0.994 363 D CA 1.856 55.851 54.000 -0.009 0.000 0.830 363 D CB -0.113 40.680 40.800 -0.011 0.000 0.959 363 D HN 0.531 nan 8.370 nan 0.000 0.452 364 D N 0.303 120.701 120.400 -0.003 0.000 2.137 364 D HA -0.026 4.614 4.640 0.000 0.000 0.202 364 D C 2.021 178.321 176.300 0.001 0.000 0.970 364 D CA 0.937 54.937 54.000 -0.001 0.000 0.837 364 D CB -0.444 40.356 40.800 0.001 0.000 0.981 364 D HN 0.102 nan 8.370 nan 0.000 0.475 365 A N 0.874 123.695 122.820 0.002 0.000 2.042 365 A HA -0.172 4.148 4.320 0.000 0.000 0.222 365 A C 2.294 179.879 177.584 0.002 0.000 1.167 365 A CA 1.313 53.352 52.037 0.003 0.000 0.649 365 A CB -0.545 18.457 19.000 0.004 0.000 0.809 365 A HN 0.198 nan 8.150 nan 0.000 0.457 366 V N -1.217 118.696 119.914 -0.001 0.000 3.650 366 V HA 0.078 4.198 4.120 0.000 0.000 0.271 366 V C 2.331 178.424 176.094 -0.001 0.000 1.281 366 V CA 1.012 63.312 62.300 -0.001 0.000 1.120 366 V CB -0.007 31.814 31.823 -0.003 0.000 0.856 366 V HN 0.589 nan 8.190 nan 0.000 0.443 367 G N 0.559 109.358 108.800 -0.001 0.000 2.459 367 G HA2 -0.093 3.868 3.960 0.000 0.000 0.213 367 G HA3 -0.093 3.868 3.960 0.000 0.000 0.213 367 G C 1.655 176.556 174.900 0.001 0.000 1.155 367 G CA 1.154 46.253 45.100 -0.001 0.000 0.811 367 G HN 0.467 nan 8.290 nan 0.000 0.534 368 V N -0.263 119.652 119.914 0.001 0.000 2.453 368 V HA -0.071 4.049 4.120 0.000 0.000 0.247 368 V C 2.591 178.687 176.094 0.003 0.000 1.048 368 V CA 1.699 64.001 62.300 0.002 0.000 1.049 368 V CB -0.572 31.253 31.823 0.003 0.000 0.672 368 V HN 0.104 nan 8.190 nan 0.000 0.457 369 V N 2.089 122.004 119.914 0.003 0.000 2.307 369 V HA -0.041 4.080 4.120 0.000 0.000 0.245 369 V C 3.062 179.158 176.094 0.003 0.000 1.045 369 V CA 2.078 64.380 62.300 0.003 0.000 1.024 369 V CB -1.916 29.910 31.823 0.004 0.000 0.651 369 V HN 0.634 nan 8.190 nan 0.000 0.449 370 G N 0.292 109.093 108.800 0.002 0.000 2.759 370 G HA2 -0.427 3.533 3.960 0.000 0.000 0.224 370 G HA3 -0.427 3.533 3.960 0.000 0.000 0.224 370 G C 1.712 176.613 174.900 0.002 0.000 1.173 370 G CA 2.075 47.176 45.100 0.002 0.000 0.770 370 G HN 0.571 nan 8.290 nan 0.000 0.626 371 C N 0.267 119.568 119.300 0.002 0.000 2.320 371 C HA -0.215 4.246 4.460 0.000 0.000 0.266 371 C C 3.161 178.152 174.990 0.002 0.000 1.119 371 C CA 2.337 61.356 59.018 0.002 0.000 1.813 371 C CB -1.780 25.961 27.740 0.002 0.000 2.057 371 C HN 0.716 nan 8.230 nan 0.000 0.433 372 T N -1.767 112.789 114.554 0.003 0.000 3.107 372 T HA 0.273 4.623 4.350 0.000 0.000 0.249 372 T C 1.292 175.994 174.700 0.003 0.000 1.096 372 T CA 0.464 62.566 62.100 0.003 0.000 1.012 372 T CB -0.375 68.495 68.868 0.004 0.000 0.977 372 T HN 0.581 nan 8.240 nan 0.000 0.527 373 I N 1.036 121.607 120.570 0.002 0.000 2.429 373 I HA 0.024 4.195 4.170 0.000 0.000 0.247 373 I C 2.553 178.671 176.117 0.002 0.000 1.099 373 I CA 0.975 62.276 61.300 0.002 0.000 1.422 373 I CB -0.186 37.815 38.000 0.002 0.000 1.112 373 I HN 0.335 nan 8.210 nan 0.000 0.430 374 E N 0.418 120.619 120.200 0.002 0.000 2.150 374 E HA -0.098 4.253 4.350 0.000 0.000 0.193 374 E C -0.101 176.499 176.600 0.001 0.000 0.985 374 E CA 0.744 57.145 56.400 0.001 0.000 0.814 374 E CB 0.140 29.840 29.700 0.001 0.000 0.752 374 E HN 0.383 nan 8.360 nan 0.000 0.466 375 D N -1.382 119.019 120.400 0.001 0.000 2.619 375 D HA 0.218 4.858 4.640 0.000 0.000 0.241 375 D C 0.105 176.406 176.300 0.002 0.000 1.087 375 D CA -0.403 53.597 54.000 0.001 0.000 0.851 375 D CB 1.871 42.672 40.800 0.001 0.000 1.474 375 D HN 0.068 nan 8.370 nan 0.000 0.478 376 G N 0.969 109.770 108.800 0.002 0.000 3.284 376 G HA2 0.051 4.012 3.960 0.000 0.000 0.236 376 G HA3 0.051 4.012 3.960 0.000 0.000 0.236 376 G C 0.579 175.481 174.900 0.003 0.000 1.158 376 G CA -0.086 45.015 45.100 0.003 0.000 0.774 376 G HN 0.199 nan 8.290 nan 0.000 0.545 377 R N 0.482 120.985 120.500 0.004 0.000 2.534 377 R HA 0.647 4.987 4.340 0.000 0.000 0.301 377 R C -0.958 175.346 176.300 0.007 0.000 0.961 377 R CA -0.804 55.300 56.100 0.005 0.000 0.871 377 R CB 1.159 31.462 30.300 0.005 0.000 1.170 377 R HN 0.187 nan 8.270 nan 0.000 0.446 378 I N 0.464 121.039 120.570 0.008 0.000 2.582 378 I HA 0.528 4.698 4.170 0.000 0.000 0.292 378 I C -1.119 175.007 176.117 0.014 0.000 1.066 378 I CA -1.008 60.298 61.300 0.010 0.000 1.053 378 I CB 2.517 40.523 38.000 0.009 0.000 1.241 378 I HN 0.321 nan 8.210 nan 0.000 0.421 379 V N 4.225 124.149 119.914 0.017 0.000 2.502 379 V HA 0.181 4.301 4.120 0.000 0.000 0.261 379 V C 0.707 176.815 176.094 0.024 0.000 0.996 379 V CA -0.202 62.110 62.300 0.021 0.000 1.095 379 V CB 0.828 32.668 31.823 0.027 0.000 1.325 379 V HN 0.934 nan 8.190 nan 0.000 0.574 380 S N 2.841 118.561 115.700 0.033 0.000 3.869 380 S HA -0.054 4.416 4.470 0.000 0.000 0.454 380 S C 1.163 175.784 174.600 0.035 0.000 0.849 380 S CA 0.906 59.129 58.200 0.038 0.000 1.820 380 S CB -0.392 62.849 63.200 0.069 0.000 1.054 380 S HN 0.882 nan 8.310 nan 0.000 0.599 381 G N 2.084 110.895 108.800 0.019 0.000 2.653 381 G HA2 0.475 4.435 3.960 0.000 0.000 0.265 381 G HA3 0.475 4.435 3.960 0.000 0.000 0.265 381 G C 1.089 175.993 174.900 0.006 0.000 1.237 381 G CA -0.093 45.013 45.100 0.009 0.000 0.946 381 G HN 1.538 nan 8.290 nan 0.000 0.522 382 G N -2.103 106.692 108.800 -0.008 0.000 2.143 382 G HA2 0.236 4.196 3.960 0.000 0.000 0.248 382 G HA3 0.236 4.196 3.960 0.000 0.000 0.248 382 G C 1.300 176.193 174.900 -0.012 0.000 0.991 382 G CA 0.937 46.023 45.100 -0.022 0.000 0.689 382 G HN 2.570 nan 8.290 nan 0.000 0.522 383 G N -0.893 107.905 108.800 -0.003 0.000 2.314 383 G HA2 -0.027 3.933 3.960 0.000 0.000 0.292 383 G HA3 -0.027 3.933 3.960 0.000 0.000 0.292 383 G C 1.296 176.205 174.900 0.015 0.000 1.059 383 G CA 1.136 46.233 45.100 -0.006 0.000 0.982 383 G HN 1.531 nan 8.290 nan 0.000 0.505 384 S N -0.343 115.402 115.700 0.075 0.000 2.412 384 S HA -0.280 4.190 4.470 0.000 0.000 0.246 384 S C 2.651 177.214 174.600 -0.061 0.000 1.073 384 S CA 2.750 61.055 58.200 0.175 0.000 1.186 384 S CB -0.369 63.014 63.200 0.304 0.000 1.084 384 S HN 0.956 nan 8.310 nan 0.000 0.434 385 T N 1.986 116.525 114.554 -0.024 0.000 2.995 385 T HA -0.009 4.341 4.350 0.000 0.000 0.269 385 T C 1.563 176.195 174.700 -0.114 0.000 1.091 385 T CA 0.927 62.979 62.100 -0.080 0.000 1.128 385 T CB -0.172 68.683 68.868 -0.022 0.000 0.891 385 T HN 0.451 nan 8.240 nan 0.000 0.492 386 E N 1.805 121.951 120.200 -0.091 0.000 2.060 386 E HA -0.033 4.317 4.350 0.000 0.000 0.189 386 E C 2.715 179.261 176.600 -0.090 0.000 0.974 386 E CA 0.982 57.339 56.400 -0.072 0.000 0.808 386 E CB -1.106 28.560 29.700 -0.056 0.000 0.768 386 E HN 0.573 nan 8.360 nan 0.000 0.453 387 V N 0.108 119.954 119.914 -0.113 0.000 2.626 387 V HA -0.129 3.991 4.120 0.000 0.000 0.252 387 V C 2.168 178.161 176.094 -0.170 0.000 1.067 387 V CA 2.065 64.298 62.300 -0.111 0.000 1.081 387 V CB -0.457 31.319 31.823 -0.077 0.000 0.686 387 V HN 0.041 nan 8.190 nan 0.000 0.468 388 E N 0.390 120.404 120.200 -0.311 0.000 2.250 388 E HA 0.075 4.425 4.350 0.000 0.000 0.192 388 E C 1.941 178.447 176.600 -0.157 0.000 0.986 388 E CA 0.862 57.067 56.400 -0.325 0.000 0.849 388 E CB -0.299 29.035 29.700 -0.610 0.000 0.797 388 E HN 0.641 nan 8.360 nan 0.000 0.482 389 L N -0.035 121.117 121.223 -0.119 0.000 2.156 389 L HA -0.098 4.242 4.340 0.000 0.000 0.208 389 L C 2.451 179.302 176.870 -0.032 0.000 1.095 389 L CA 1.117 55.923 54.840 -0.057 0.000 0.770 389 L CB -0.467 41.572 42.059 -0.034 0.000 0.914 389 L HN 0.214 nan 8.230 nan 0.000 0.439 390 S N 1.268 116.945 115.700 -0.038 0.000 2.365 390 S HA -0.256 4.214 4.470 0.000 0.000 0.221 390 S C 1.831 176.431 174.600 0.001 0.000 1.037 390 S CA 2.076 60.267 58.200 -0.016 0.000 1.060 390 S CB -0.150 63.030 63.200 -0.033 0.000 0.974 390 S HN 0.509 nan 8.310 nan 0.000 0.427 391 M N -1.028 118.564 119.600 -0.013 0.000 2.494 391 M HA 0.357 4.838 4.480 0.000 0.000 0.232 391 M C 1.485 177.795 176.300 0.017 0.000 1.137 391 M CA 0.447 55.750 55.300 0.005 0.000 1.012 391 M CB 0.135 32.736 32.600 0.001 0.000 1.567 391 M HN 0.065 nan 8.290 nan 0.000 0.486 392 K N 1.314 121.723 120.400 0.014 0.000 2.121 392 K HA 0.205 4.525 4.320 0.000 0.000 0.203 392 K C 1.633 178.277 176.600 0.074 0.000 1.041 392 K CA 0.896 57.201 56.287 0.030 0.000 0.969 392 K CB 0.061 32.562 32.500 0.002 0.000 0.799 392 K HN 0.360 nan 8.250 nan 0.000 0.456 393 L N 0.723 121.985 121.223 0.065 0.000 2.478 393 L HA 0.014 4.355 4.340 0.000 0.000 0.223 393 L C 2.342 179.317 176.870 0.176 0.000 1.140 393 L CA 0.502 55.420 54.840 0.130 0.000 0.842 393 L CB -0.147 41.939 42.059 0.045 0.000 0.953 393 L HN 0.082 nan 8.230 nan 0.000 0.452 394 R N 0.425 120.987 120.500 0.105 0.000 2.100 394 R HA -0.054 4.287 4.340 0.000 0.000 0.220 394 R C 1.891 178.234 176.300 0.071 0.000 1.091 394 R CA 0.908 57.055 56.100 0.078 0.000 0.986 394 R CB 0.094 30.422 30.300 0.047 0.000 0.888 394 R HN 0.326 nan 8.270 nan 0.000 0.444 395 E N -0.618 119.629 120.200 0.079 0.000 2.371 395 E HA -0.168 4.182 4.350 0.000 0.000 0.194 395 E C 1.087 177.735 176.600 0.080 0.000 1.012 395 E CA 0.480 56.918 56.400 0.063 0.000 0.860 395 E CB 0.026 29.756 29.700 0.051 0.000 0.811 395 E HN 0.389 nan 8.360 nan 0.000 0.502 396 Y N 1.962 122.263 120.300 0.003 0.000 2.153 396 Y HA -0.138 4.412 4.550 0.000 0.000 0.289 396 Y C 2.173 178.076 175.900 0.004 0.000 1.127 396 Y CA 1.089 59.189 58.100 0.000 0.000 1.131 396 Y CB -0.684 37.773 38.460 -0.004 0.000 0.995 396 Y HN -0.021 nan 8.280 nan 0.000 0.505 397 A N 1.180 123.914 122.820 -0.143 0.000 1.970 397 A HA -0.431 3.889 4.320 0.000 0.000 0.227 397 A C 2.098 179.559 177.584 -0.206 0.000 1.568 397 A CA 2.896 54.836 52.037 -0.161 0.000 0.813 397 A CB -1.511 17.486 19.000 -0.006 0.000 0.833 397 A HN 0.659 nan 8.150 nan 0.000 0.492 398 E N -1.133 119.007 120.200 -0.099 0.000 2.197 398 E HA -0.260 4.090 4.350 0.000 0.000 0.205 398 E C 2.075 178.608 176.600 -0.112 0.000 1.029 398 E CA 1.008 57.358 56.400 -0.082 0.000 0.828 398 E CB -0.617 29.058 29.700 -0.042 0.000 0.737 398 E HN 0.716 nan 8.360 nan 0.000 0.464 399 G N 2.213 110.914 108.800 -0.166 0.000 2.574 399 G HA2 -0.319 3.642 3.960 0.000 0.000 0.220 399 G HA3 -0.319 3.642 3.960 0.000 0.000 0.220 399 G C 1.656 176.414 174.900 -0.237 0.000 1.173 399 G CA 1.677 46.648 45.100 -0.216 0.000 0.772 399 G HN 0.379 nan 8.290 nan 0.000 0.585 400 I N -1.450 118.925 120.570 -0.326 0.000 2.110 400 I HA 0.098 4.268 4.170 0.000 0.000 0.236 400 I C 1.391 177.437 176.117 -0.118 0.000 1.068 400 I CA 0.857 62.010 61.300 -0.244 0.000 1.333 400 I CB -1.122 36.732 38.000 -0.245 0.000 1.054 400 I HN 0.366 nan 8.210 nan 0.000 0.402 401 S N 0.066 115.709 115.700 -0.094 0.000 3.152 401 S HA 0.176 4.647 4.470 0.000 0.000 0.857 401 S C -0.078 174.500 174.600 -0.038 0.000 1.044 401 S CA 0.628 58.796 58.200 -0.054 0.000 1.231 401 S CB -1.182 61.994 63.200 -0.041 0.000 0.871 401 S HN 2.093 nan 8.310 nan 0.000 0.252 402 G N 5.232 114.017 108.800 -0.026 0.000 2.348 402 G HA2 -0.113 3.848 3.960 0.000 0.000 0.199 402 G HA3 -0.113 3.848 3.960 0.000 0.000 0.199 402 G C 0.296 175.189 174.900 -0.011 0.000 1.235 402 G CA 0.293 45.383 45.100 -0.017 0.000 1.264 402 G HN 1.105 nan 8.290 nan 0.000 0.543 403 R N 1.024 121.517 120.500 -0.012 0.000 2.090 403 R HA 0.028 4.368 4.340 0.000 0.000 0.228 403 R C 1.926 178.219 176.300 -0.011 0.000 1.110 403 R CA 1.763 57.854 56.100 -0.014 0.000 0.973 403 R CB -0.373 29.914 30.300 -0.022 0.000 0.869 403 R HN 0.508 nan 8.270 nan 0.000 0.440 404 E N 1.624 121.817 120.200 -0.012 0.000 2.492 404 E HA -0.184 4.166 4.350 0.000 0.000 0.204 404 E C 1.659 178.282 176.600 0.038 0.000 1.073 404 E CA 0.756 57.161 56.400 0.009 0.000 0.887 404 E CB -0.315 29.392 29.700 0.012 0.000 0.813 404 E HN 0.424 nan 8.360 nan 0.000 0.562 405 Q N 0.655 120.467 119.800 0.019 0.000 1.742 405 Q HA -0.150 4.191 4.340 0.000 0.000 0.336 405 Q C 1.719 177.753 176.000 0.056 0.000 0.966 405 Q CA 1.162 56.974 55.803 0.013 0.000 0.893 405 Q CB -0.243 28.487 28.738 -0.012 0.000 0.927 405 Q HN 0.258 nan 8.270 nan 0.000 0.417 406 L N 0.820 122.077 121.223 0.057 0.000 2.536 406 L HA -0.391 3.950 4.340 0.000 0.000 0.216 406 L C 2.341 179.317 176.870 0.177 0.000 1.097 406 L CA 2.387 57.279 54.840 0.087 0.000 0.845 406 L CB -1.200 40.891 42.059 0.054 0.000 0.899 406 L HN 0.480 nan 8.230 nan 0.000 0.453 407 A N -0.481 122.480 122.820 0.236 0.000 1.871 407 A HA 0.049 4.369 4.320 0.000 0.000 0.211 407 A C 2.175 180.119 177.584 0.600 0.000 1.207 407 A CA 1.206 53.617 52.037 0.625 0.000 0.620 407 A CB -0.751 18.393 19.000 0.240 0.000 0.860 407 A HN 0.339 nan 8.150 nan 0.000 0.450 408 V N -1.876 118.237 119.914 0.332 0.000 3.305 408 V HA -0.036 4.085 4.120 0.000 0.000 0.269 408 V C 1.929 178.129 176.094 0.176 0.000 1.157 408 V CA 1.647 64.082 62.300 0.225 0.000 1.157 408 V CB -0.962 31.013 31.823 0.253 0.000 0.772 408 V HN 0.472 nan 8.190 nan 0.000 0.498 409 R N 1.156 121.749 120.500 0.155 0.000 2.066 409 R HA 0.295 4.635 4.340 0.000 0.000 0.224 409 R C 2.282 178.633 176.300 0.085 0.000 1.122 409 R CA 1.270 57.434 56.100 0.107 0.000 0.974 409 R CB -0.498 29.853 30.300 0.085 0.000 0.871 409 R HN 0.551 nan 8.270 nan 0.000 0.435 410 A N -0.174 122.706 122.820 0.101 0.000 2.259 410 A HA -0.033 4.287 4.320 0.000 0.000 0.208 410 A C 1.192 178.738 177.584 -0.064 0.000 1.201 410 A CA 0.375 52.438 52.037 0.044 0.000 0.824 410 A CB -0.249 18.814 19.000 0.104 0.000 0.838 410 A HN 0.328 nan 8.150 nan 0.000 0.485 411 F N -0.971 118.841 119.950 -0.229 0.000 2.704 411 F HA 0.463 4.990 4.527 0.001 0.000 0.304 411 F C 1.894 177.604 175.800 -0.151 0.000 1.094 411 F CA 0.097 57.911 58.000 -0.310 0.000 1.275 411 F CB 0.121 38.835 39.000 -0.478 0.000 1.073 411 F HN 0.201 nan 8.300 nan 0.000 0.586 412 A N -0.425 122.460 122.820 0.109 0.000 1.887 412 A HA 0.024 4.344 4.320 0.000 0.000 0.210 412 A C 1.789 179.371 177.584 -0.002 0.000 1.221 412 A CA 1.305 53.383 52.037 0.068 0.000 0.635 412 A CB -0.721 18.320 19.000 0.069 0.000 0.881 412 A HN 0.198 nan 8.150 nan 0.000 0.456 413 D N 0.002 120.398 120.400 -0.008 0.000 2.269 413 D HA 0.102 4.742 4.640 0.000 0.000 0.208 413 D C 2.032 178.295 176.300 -0.062 0.000 0.963 413 D CA 1.049 55.033 54.000 -0.026 0.000 0.864 413 D CB -0.022 40.773 40.800 -0.009 0.000 0.936 413 D HN 0.370 nan 8.370 nan 0.000 0.505 414 A N 0.434 123.189 122.820 -0.108 0.000 1.841 414 A HA -0.136 4.185 4.320 0.000 0.000 0.214 414 A C 2.207 179.693 177.584 -0.163 0.000 1.195 414 A CA 1.148 53.087 52.037 -0.165 0.000 0.611 414 A CB -0.951 17.874 19.000 -0.292 0.000 0.835 414 A HN 0.283 nan 8.150 nan 0.000 0.443 415 L N -0.389 120.727 121.223 -0.179 0.000 2.285 415 L HA -0.410 3.930 4.340 0.000 0.000 0.224 415 L C 2.463 179.281 176.870 -0.087 0.000 1.096 415 L CA 2.211 56.976 54.840 -0.125 0.000 0.820 415 L CB -1.104 40.910 42.059 -0.075 0.000 0.899 415 L HN 0.482 nan 8.230 nan 0.000 0.448 416 E N -0.208 119.947 120.200 -0.074 0.000 2.038 416 E HA -0.241 4.109 4.350 0.000 0.000 0.195 416 E C 2.286 178.852 176.600 -0.057 0.000 1.000 416 E CA 1.789 58.155 56.400 -0.056 0.000 0.803 416 E CB -0.322 29.352 29.700 -0.044 0.000 0.750 416 E HN 0.396 nan 8.360 nan 0.000 0.448 417 V N 1.405 121.279 119.914 -0.067 0.000 2.828 417 V HA -0.223 3.897 4.120 0.000 0.000 0.260 417 V C 1.969 178.029 176.094 -0.057 0.000 1.101 417 V CA 0.971 63.235 62.300 -0.060 0.000 1.123 417 V CB -0.315 31.468 31.823 -0.066 0.000 0.704 417 V HN 0.157 nan 8.190 nan 0.000 0.493 418 I N 0.703 121.235 120.570 -0.063 0.000 2.142 418 I HA -0.055 4.115 4.170 0.000 0.000 0.240 418 I C 0.031 176.120 176.117 -0.047 0.000 1.078 418 I CA 1.369 62.636 61.300 -0.055 0.000 1.343 418 I CB -2.289 35.678 38.000 -0.055 0.000 1.046 418 I HN 0.320 nan 8.210 nan 0.000 0.405 419 P HA -0.108 nan 4.420 nan 0.000 0.219 419 P C 1.908 179.186 177.300 -0.038 0.000 1.150 419 P CA 1.316 64.392 63.100 -0.040 0.000 0.814 419 P CB -0.025 31.654 31.700 -0.035 0.000 0.787 420 R N -0.183 120.295 120.500 -0.037 0.000 2.080 420 R HA -0.144 4.197 4.340 0.000 0.000 0.236 420 R C 2.339 178.619 176.300 -0.034 0.000 1.137 420 R CA 2.574 58.654 56.100 -0.033 0.000 0.943 420 R CB -1.132 29.148 30.300 -0.033 0.000 0.846 420 R HN 0.209 nan 8.270 nan 0.000 0.431 421 T N -0.695 113.837 114.554 -0.037 0.000 2.759 421 T HA -0.120 4.230 4.350 0.000 0.000 0.269 421 T C 1.944 176.622 174.700 -0.037 0.000 1.042 421 T CA 1.324 63.403 62.100 -0.035 0.000 1.140 421 T CB -0.290 68.558 68.868 -0.033 0.000 0.864 421 T HN 0.238 nan 8.240 nan 0.000 0.455 422 L N 0.553 121.751 121.223 -0.043 0.000 2.201 422 L HA 0.072 4.412 4.340 0.000 0.000 0.212 422 L C 3.291 180.127 176.870 -0.057 0.000 1.105 422 L CA 0.946 55.755 54.840 -0.052 0.000 0.775 422 L CB -0.836 41.189 42.059 -0.055 0.000 0.913 422 L HN 0.450 nan 8.230 nan 0.000 0.440 423 A N 0.242 123.032 122.820 -0.049 0.000 1.835 423 A HA -0.254 4.066 4.320 0.000 0.000 0.215 423 A C 2.048 179.613 177.584 -0.032 0.000 1.199 423 A CA 1.697 53.710 52.037 -0.041 0.000 0.615 423 A CB -0.611 18.370 19.000 -0.033 0.000 0.838 423 A HN 0.314 nan 8.150 nan 0.000 0.444 424 E N 0.260 120.444 120.200 -0.027 0.000 2.110 424 E HA -0.284 4.067 4.350 0.000 0.000 0.225 424 E C 1.899 178.488 176.600 -0.020 0.000 1.063 424 E CA 2.228 58.615 56.400 -0.021 0.000 0.906 424 E CB -0.255 29.433 29.700 -0.022 0.000 0.795 424 E HN 0.629 nan 8.360 nan 0.000 0.479 425 N N 0.177 118.863 118.700 -0.024 0.000 2.132 425 N HA -0.282 4.458 4.740 0.000 0.000 0.191 425 N C 1.616 177.116 175.510 -0.017 0.000 1.015 425 N CA 1.264 54.301 53.050 -0.021 0.000 0.864 425 N CB -0.675 37.797 38.487 -0.024 0.000 1.006 425 N HN 0.296 nan 8.380 nan 0.000 0.430 426 A N 0.297 123.102 122.820 -0.025 0.000 1.901 426 A HA -0.165 4.155 4.320 0.000 0.000 0.227 426 A C 1.868 179.449 177.584 -0.005 0.000 1.551 426 A CA 3.428 55.454 52.037 -0.018 0.000 0.769 426 A CB -1.161 17.819 19.000 -0.033 0.000 0.845 426 A HN 0.578 nan 8.150 nan 0.000 0.481 427 G N -3.680 105.116 108.800 -0.007 0.000 2.559 427 G HA2 0.044 4.004 3.960 0.000 0.000 0.202 427 G HA3 0.044 4.004 3.960 0.000 0.000 0.202 427 G C 0.007 174.904 174.900 -0.005 0.000 0.992 427 G CA 0.042 45.140 45.100 -0.004 0.000 0.764 427 G HN 0.485 nan 8.290 nan 0.000 0.525 428 L N 1.369 122.587 121.223 -0.009 0.000 2.399 428 L HA 0.388 4.728 4.340 0.000 0.000 0.266 428 L C 0.141 177.005 176.870 -0.009 0.000 1.114 428 L CA -0.782 54.054 54.840 -0.008 0.000 0.804 428 L CB 0.910 42.963 42.059 -0.009 0.000 1.146 428 L HN 0.047 nan 8.230 nan 0.000 0.451 429 D N 1.301 121.697 120.400 -0.006 0.000 2.472 429 D HA 0.005 4.645 4.640 0.000 0.000 0.248 429 D C 0.643 176.938 176.300 -0.009 0.000 1.174 429 D CA 0.282 54.278 54.000 -0.007 0.000 0.883 429 D CB 1.676 42.474 40.800 -0.004 0.000 1.149 429 D HN 0.656 nan 8.370 nan 0.000 0.488 430 A N 5.262 128.076 122.820 -0.011 0.000 1.902 430 A HA -0.176 4.144 4.320 0.000 0.000 0.217 430 A C 2.199 179.777 177.584 -0.010 0.000 1.181 430 A CA 0.559 52.588 52.037 -0.013 0.000 0.623 430 A CB -0.314 18.676 19.000 -0.017 0.000 0.818 430 A HN 0.753 nan 8.150 nan 0.000 0.443 431 I N -0.367 120.198 120.570 -0.008 0.000 2.454 431 I HA -0.180 3.990 4.170 0.000 0.000 0.254 431 I C 1.841 177.957 176.117 -0.003 0.000 1.156 431 I CA 1.914 63.211 61.300 -0.005 0.000 1.433 431 I CB -0.477 37.520 38.000 -0.005 0.000 1.082 431 I HN 0.463 nan 8.210 nan 0.000 0.432 432 E N 0.312 120.510 120.200 -0.002 0.000 2.190 432 E HA -0.015 4.336 4.350 0.000 0.000 0.191 432 E C 2.220 178.820 176.600 0.000 0.000 0.978 432 E CA 0.577 56.977 56.400 -0.000 0.000 0.839 432 E CB 0.212 29.912 29.700 0.001 0.000 0.787 432 E HN 0.487 nan 8.360 nan 0.000 0.473 433 I N 0.610 121.178 120.570 -0.002 0.000 2.333 433 I HA -0.198 3.972 4.170 0.000 0.000 0.246 433 I C 1.951 178.068 176.117 0.000 0.000 1.106 433 I CA 0.360 61.658 61.300 -0.002 0.000 1.411 433 I CB -0.071 37.925 38.000 -0.008 0.000 1.082 433 I HN 0.165 nan 8.210 nan 0.000 0.420 434 L N 0.674 121.895 121.223 -0.003 0.000 2.021 434 L HA -0.226 4.114 4.340 0.000 0.000 0.215 434 L C 2.725 179.597 176.870 0.004 0.000 1.074 434 L CA 1.899 56.737 54.840 -0.003 0.000 0.760 434 L CB -1.220 40.834 42.059 -0.008 0.000 0.889 434 L HN 0.190 nan 8.230 nan 0.000 0.433 435 V N -0.742 119.175 119.914 0.004 0.000 2.469 435 V HA -0.259 3.861 4.120 0.000 0.000 0.251 435 V C 2.491 178.592 176.094 0.013 0.000 1.064 435 V CA 1.503 63.808 62.300 0.008 0.000 1.066 435 V CB -0.741 31.086 31.823 0.006 0.000 0.667 435 V HN 0.446 nan 8.190 nan 0.000 0.461 436 K N 0.045 120.452 120.400 0.012 0.000 2.044 436 K HA -0.026 4.294 4.320 0.000 0.000 0.204 436 K C 2.183 178.797 176.600 0.023 0.000 1.049 436 K CA 1.205 57.501 56.287 0.015 0.000 0.945 436 K CB -0.285 32.221 32.500 0.011 0.000 0.724 436 K HN 0.374 nan 8.250 nan 0.000 0.440 437 V N 1.524 121.455 119.914 0.027 0.000 2.270 437 V HA -0.205 3.916 4.120 0.000 0.000 0.245 437 V C 2.317 178.456 176.094 0.074 0.000 1.043 437 V CA 1.488 63.815 62.300 0.046 0.000 1.014 437 V CB -0.477 31.371 31.823 0.042 0.000 0.645 437 V HN 0.271 nan 8.190 nan 0.000 0.447 438 R N 0.364 120.892 120.500 0.046 0.000 2.103 438 R HA -0.203 4.137 4.340 0.000 0.000 0.234 438 R C 2.324 178.663 176.300 0.065 0.000 1.132 438 R CA 1.808 57.935 56.100 0.044 0.000 0.925 438 R CB -0.824 29.487 30.300 0.018 0.000 0.842 438 R HN 0.513 nan 8.270 nan 0.000 0.430 439 A N 0.370 123.217 122.820 0.044 0.000 2.234 439 A HA -0.054 4.267 4.320 0.000 0.000 0.216 439 A C 1.963 179.572 177.584 0.043 0.000 1.167 439 A CA 1.605 53.665 52.037 0.039 0.000 0.698 439 A CB -0.320 18.695 19.000 0.025 0.000 0.779 439 A HN 0.479 nan 8.150 nan 0.000 0.475 440 A N -2.409 120.444 122.820 0.054 0.000 2.140 440 A HA 0.192 4.512 4.320 0.000 0.000 0.209 440 A C 1.731 179.343 177.584 0.047 0.000 1.181 440 A CA 1.007 53.065 52.037 0.034 0.000 0.824 440 A CB -0.398 18.613 19.000 0.018 0.000 0.879 440 A HN 0.671 nan 8.150 nan 0.000 0.480 441 H N -0.815 118.256 119.070 0.001 0.000 2.465 441 H HA 0.329 4.886 4.556 0.000 0.000 0.289 441 H C 1.847 177.176 175.328 0.003 0.000 1.022 441 H CA 0.782 56.831 56.048 0.001 0.000 1.340 441 H CB 0.183 29.945 29.762 0.000 0.000 1.437 441 H HN 0.413 nan 8.280 nan 0.000 0.539 442 A N -0.881 122.040 122.820 0.168 0.000 2.250 442 A HA 0.087 4.408 4.320 0.000 0.000 0.208 442 A C 1.377 178.995 177.584 0.057 0.000 1.254 442 A CA 1.177 53.271 52.037 0.095 0.000 0.858 442 A CB -0.164 18.873 19.000 0.061 0.000 0.820 442 A HN 0.388 nan 8.150 nan 0.000 0.484 443 S N -2.052 113.675 115.700 0.044 0.000 3.050 443 S HA 0.042 4.512 4.470 0.000 0.000 0.261 443 S C 1.385 175.980 174.600 -0.007 0.000 1.057 443 S CA 0.296 58.505 58.200 0.016 0.000 1.012 443 S CB -0.185 63.026 63.200 0.018 0.000 0.919 443 S HN 0.668 nan 8.310 nan 0.000 0.429 444 N N 0.671 119.351 118.700 -0.032 0.000 2.258 444 N HA 0.426 5.166 4.740 0.000 0.000 0.183 444 N C 0.587 176.049 175.510 -0.079 0.000 1.029 444 N CA 0.799 53.812 53.050 -0.063 0.000 0.857 444 N CB 0.352 38.788 38.487 -0.086 0.000 1.008 444 N HN 0.463 nan 8.380 nan 0.000 0.433 445 G N -0.456 108.263 108.800 -0.135 0.000 2.337 445 G HA2 -0.068 3.892 3.960 0.000 0.000 0.310 445 G HA3 -0.068 3.892 3.960 0.000 0.000 0.310 445 G C -1.017 173.701 174.900 -0.302 0.000 1.534 445 G CA -0.690 44.326 45.100 -0.140 0.000 0.982 445 G HN 0.250 nan 8.290 nan 0.000 0.672 446 N N -0.316 118.345 118.700 -0.065 0.000 2.515 446 N HA -0.006 4.734 4.740 0.000 0.000 0.185 446 N C 1.647 177.155 175.510 -0.004 0.000 1.109 446 N CA 1.288 54.389 53.050 0.085 0.000 0.903 446 N CB 0.060 38.599 38.487 0.086 0.000 0.969 446 N HN 0.772 nan 8.380 nan 0.000 0.450 447 K N -0.483 119.872 120.400 -0.075 0.000 2.168 447 K HA 0.141 4.461 4.320 0.000 0.000 0.201 447 K C 0.298 176.841 176.600 -0.094 0.000 1.049 447 K CA 0.431 56.686 56.287 -0.055 0.000 0.974 447 K CB -0.140 32.338 32.500 -0.037 0.000 0.792 447 K HN 0.186 nan 8.250 nan 0.000 0.463 448 C N 1.770 120.963 119.300 -0.178 0.000 2.185 448 C HA 0.804 5.265 4.460 0.000 0.000 0.357 448 C C 0.026 174.868 174.990 -0.247 0.000 1.053 448 C CA -0.185 58.733 59.018 -0.168 0.000 1.552 448 C CB -0.900 26.788 27.740 -0.088 0.000 1.679 448 C HN 0.497 nan 8.230 nan 0.000 0.453 449 A N 3.430 126.159 122.820 -0.152 0.000 3.009 449 A HA 0.559 4.880 4.320 0.000 0.000 0.198 449 A C 0.279 177.939 177.584 0.128 0.000 1.289 449 A CA 0.328 52.348 52.037 -0.028 0.000 1.343 449 A CB -0.890 18.107 19.000 -0.004 0.000 1.180 449 A HN 1.176 nan 8.150 nan 0.000 0.689 450 G N -0.586 108.238 108.800 0.041 0.000 2.557 450 G HA2 0.608 4.568 3.960 0.000 0.000 0.302 450 G HA3 0.608 4.568 3.960 0.000 0.000 0.302 450 G C -0.779 174.131 174.900 0.017 0.000 1.311 450 G CA -0.639 44.482 45.100 0.035 0.000 1.030 450 G HN 0.454 nan 8.290 nan 0.000 0.509 451 L N 0.525 121.743 121.223 -0.008 0.000 2.462 451 L HA 0.307 4.647 4.340 0.000 0.000 0.255 451 L C -0.075 176.752 176.870 -0.072 0.000 1.076 451 L CA -0.958 53.863 54.840 -0.030 0.000 0.920 451 L CB 0.849 42.891 42.059 -0.027 0.000 1.214 451 L HN 0.643 nan 8.230 nan 0.000 0.472 452 N N 0.553 119.212 118.700 -0.069 0.000 2.452 452 N HA 0.191 4.931 4.740 0.000 0.000 0.266 452 N C 1.251 176.658 175.510 -0.172 0.000 1.175 452 N CA -0.229 52.748 53.050 -0.123 0.000 0.945 452 N CB 1.314 39.766 38.487 -0.058 0.000 1.063 452 N HN 0.395 nan 8.380 nan 0.000 0.472 453 V N 1.744 121.436 119.914 -0.371 0.000 3.129 453 V HA 0.050 4.170 4.120 0.000 0.000 0.259 453 V C 1.147 177.081 176.094 -0.266 0.000 1.116 453 V CA 0.867 62.963 62.300 -0.341 0.000 1.127 453 V CB -1.112 30.392 31.823 -0.532 0.000 0.742 453 V HN 0.497 nan 8.190 nan 0.000 0.474 454 F N 1.800 121.750 119.950 0.001 0.000 2.094 454 F HA 0.078 4.605 4.527 0.000 0.000 0.291 454 F C 2.690 178.491 175.800 0.000 0.000 1.109 454 F CA 1.949 59.949 58.000 0.001 0.000 1.221 454 F CB -1.389 37.611 39.000 0.001 0.000 1.014 454 F HN 0.046 nan 8.300 nan 0.000 0.473 455 T N -1.420 113.245 114.554 0.186 0.000 2.937 455 T HA 0.267 4.617 4.350 0.000 0.000 0.260 455 T C 1.023 175.757 174.700 0.058 0.000 1.051 455 T CA 1.127 63.291 62.100 0.108 0.000 1.141 455 T CB -0.614 68.304 68.868 0.082 0.000 0.879 455 T HN 0.472 nan 8.240 nan 0.000 0.459 456 G N 1.321 110.142 108.800 0.034 0.000 2.898 456 G HA2 0.355 4.316 3.960 0.000 0.000 0.267 456 G HA3 0.355 4.316 3.960 0.000 0.000 0.267 456 G C -0.250 174.657 174.900 0.012 0.000 1.061 456 G CA -0.350 44.756 45.100 0.010 0.000 1.230 456 G HN 0.888 nan 8.290 nan 0.000 0.569 457 A N -0.011 122.813 122.820 0.007 0.000 2.544 457 A HA 0.946 5.266 4.320 0.000 0.000 0.291 457 A C -0.069 177.518 177.584 0.005 0.000 1.055 457 A CA 0.123 52.165 52.037 0.008 0.000 0.651 457 A CB 1.109 20.116 19.000 0.012 0.000 1.296 457 A HN 2.078 nan 8.150 nan 0.000 0.431 458 V N 0.991 120.909 119.914 0.007 0.000 2.637 458 V HA 0.556 4.676 4.120 0.000 0.000 0.296 458 V C -0.437 175.660 176.094 0.005 0.000 1.046 458 V CA 0.547 62.852 62.300 0.009 0.000 1.066 458 V CB 0.762 32.594 31.823 0.015 0.000 0.968 458 V HN 0.762 nan 8.190 nan 0.000 0.483 459 E N 4.158 124.360 120.200 0.003 0.000 2.321 459 E HA 0.199 4.550 4.350 0.000 0.000 0.278 459 E C -1.462 175.135 176.600 -0.005 0.000 0.902 459 E CA -0.726 55.676 56.400 0.003 0.000 0.758 459 E CB 1.770 31.477 29.700 0.012 0.000 1.213 459 E HN 0.742 nan 8.360 nan 0.000 0.426 460 D N 4.216 124.611 120.400 -0.010 0.000 2.479 460 D HA -0.048 4.592 4.640 0.000 0.000 0.253 460 D C 1.089 177.385 176.300 -0.008 0.000 1.278 460 D CA 0.096 54.083 54.000 -0.021 0.000 1.145 460 D CB 0.264 41.053 40.800 -0.018 0.000 1.118 460 D HN 0.380 nan 8.370 nan 0.000 0.513 461 M N 1.820 121.416 119.600 -0.005 0.000 2.128 461 M HA -0.291 4.190 4.480 0.000 0.000 0.253 461 M C 2.396 178.701 176.300 0.008 0.000 1.079 461 M CA 1.024 56.328 55.300 0.006 0.000 1.082 461 M CB -1.420 31.185 32.600 0.010 0.000 1.335 461 M HN 0.549 nan 8.290 nan 0.000 0.401 462 C N 0.761 120.060 119.300 -0.001 0.000 2.363 462 C HA -0.217 4.243 4.460 0.000 0.000 0.274 462 C C 2.358 177.349 174.990 0.002 0.000 1.183 462 C CA 1.616 60.633 59.018 -0.001 0.000 1.771 462 C CB -1.041 26.693 27.740 -0.009 0.000 2.059 462 C HN 0.559 nan 8.230 nan 0.000 0.455 463 E N -0.708 119.492 120.200 0.000 0.000 2.489 463 E HA -0.014 4.336 4.350 0.000 0.000 0.193 463 E C 1.363 177.969 176.600 0.009 0.000 1.057 463 E CA 0.168 56.569 56.400 0.003 0.000 0.866 463 E CB -0.124 29.575 29.700 -0.002 0.000 0.916 463 E HN 0.697 nan 8.360 nan 0.000 0.500 464 N N -0.167 118.543 118.700 0.016 0.000 2.388 464 N HA 0.011 4.752 4.740 0.000 0.000 0.176 464 N C 0.894 176.420 175.510 0.026 0.000 1.062 464 N CA 0.280 53.345 53.050 0.026 0.000 0.895 464 N CB 0.539 39.049 38.487 0.038 0.000 1.018 464 N HN 0.146 nan 8.380 nan 0.000 0.456 465 G N 1.539 110.352 108.800 0.020 0.000 2.447 465 G HA2 -0.251 3.710 3.960 0.000 0.000 0.293 465 G HA3 -0.251 3.710 3.960 0.000 0.000 0.293 465 G C 0.192 175.105 174.900 0.022 0.000 0.894 465 G CA 0.837 45.948 45.100 0.019 0.000 1.066 465 G HN 0.274 nan 8.290 nan 0.000 0.503 466 V N -1.811 118.119 119.914 0.026 0.000 2.112 466 V HA 0.631 4.752 4.120 0.000 0.000 0.271 466 V C 0.558 176.663 176.094 0.019 0.000 1.465 466 V CA -0.439 61.877 62.300 0.028 0.000 1.419 466 V CB 0.621 32.467 31.823 0.037 0.000 1.409 466 V HN 1.031 nan 8.190 nan 0.000 0.495 467 V N 2.250 122.173 119.914 0.016 0.000 2.709 467 V HA 0.670 4.791 4.120 0.000 0.000 0.308 467 V C -0.117 175.984 176.094 0.012 0.000 1.062 467 V CA -0.496 61.812 62.300 0.013 0.000 0.901 467 V CB 2.320 34.151 31.823 0.013 0.000 1.003 467 V HN 0.825 nan 8.190 nan 0.000 0.425 468 E N 6.256 126.462 120.200 0.010 0.000 2.345 468 E HA 0.465 4.815 4.350 0.000 0.000 0.259 468 E C -2.506 174.099 176.600 0.008 0.000 1.117 468 E CA -1.818 54.587 56.400 0.008 0.000 0.913 468 E CB 0.339 30.042 29.700 0.006 0.000 1.057 468 E HN 0.525 nan 8.360 nan 0.000 0.432 469 P HA -0.039 nan 4.420 nan 0.000 0.310 469 P C 0.156 177.459 177.300 0.006 0.000 1.309 469 P CA -0.162 62.942 63.100 0.006 0.000 0.753 469 P CB 0.405 32.107 31.700 0.004 0.000 1.491 470 L N -0.651 120.575 121.223 0.005 0.000 2.959 470 L HA 0.206 4.546 4.340 0.000 0.000 0.259 470 L C 1.847 178.719 176.870 0.003 0.000 1.185 470 L CA 0.068 54.910 54.840 0.004 0.000 0.998 470 L CB -0.064 41.997 42.059 0.004 0.000 1.337 470 L HN 0.296 nan 8.230 nan 0.000 0.555 471 R N 0.427 120.929 120.500 0.003 0.000 2.009 471 R HA 0.005 4.345 4.340 0.000 0.000 0.213 471 R C 1.585 177.886 176.300 0.002 0.000 1.297 471 R CA 1.485 57.586 56.100 0.002 0.000 1.008 471 R CB -0.185 30.116 30.300 0.001 0.000 0.852 471 R HN -0.035 nan 8.270 nan 0.000 0.475 472 V N 1.643 121.557 119.914 0.001 0.000 0.690 472 V HA -0.464 3.657 4.120 0.000 0.000 0.092 472 V C 2.037 178.132 176.094 0.001 0.000 0.805 472 V CA 2.655 64.956 62.300 0.001 0.000 3.103 472 V CB -1.290 30.534 31.823 0.002 0.000 0.206 472 V HN 0.455 nan 8.190 nan 0.000 0.121 473 K N 0.567 120.967 120.400 0.001 0.000 2.147 473 K HA -0.130 4.190 4.320 0.000 0.000 0.205 473 K C 2.334 178.936 176.600 0.003 0.000 1.049 473 K CA 2.096 58.383 56.287 0.001 0.000 0.936 473 K CB -0.967 31.533 32.500 0.001 0.000 0.722 473 K HN 1.044 nan 8.250 nan 0.000 0.446 474 T N -1.396 113.159 114.554 0.002 0.000 2.737 474 T HA -0.148 4.202 4.350 0.000 0.000 0.265 474 T C 1.994 176.697 174.700 0.005 0.000 1.038 474 T CA 1.044 63.146 62.100 0.003 0.000 1.144 474 T CB -0.062 68.806 68.868 0.000 0.000 0.866 474 T HN -0.041 nan 8.240 nan 0.000 0.434 475 Q N 1.375 121.178 119.800 0.005 0.000 2.062 475 Q HA 0.377 4.717 4.340 0.000 0.000 0.196 475 Q C 2.698 178.703 176.000 0.008 0.000 0.967 475 Q CA 1.754 57.560 55.803 0.006 0.000 0.832 475 Q CB -1.244 27.497 28.738 0.004 0.000 0.899 475 Q HN 0.661 nan 8.270 nan 0.000 0.442 476 A N 0.727 123.550 122.820 0.005 0.000 1.954 476 A HA -0.239 4.081 4.320 0.000 0.000 0.222 476 A C 1.917 179.506 177.584 0.008 0.000 1.199 476 A CA 2.008 54.047 52.037 0.003 0.000 0.657 476 A CB -0.889 18.109 19.000 -0.003 0.000 0.823 476 A HN 0.453 nan 8.150 nan 0.000 0.463 477 I N -1.460 119.119 120.570 0.016 0.000 2.852 477 I HA -0.133 4.037 4.170 0.000 0.000 0.264 477 I C 2.446 178.596 176.117 0.056 0.000 1.179 477 I CA 0.874 62.195 61.300 0.034 0.000 1.480 477 I CB -0.857 37.171 38.000 0.047 0.000 1.111 477 I HN 0.513 nan 8.210 nan 0.000 0.441 478 Q N 0.648 120.471 119.800 0.038 0.000 1.990 478 Q HA -0.037 4.303 4.340 0.000 0.000 0.195 478 Q C 2.319 178.341 176.000 0.037 0.000 0.977 478 Q CA 1.220 57.045 55.803 0.036 0.000 0.828 478 Q CB -0.235 28.514 28.738 0.019 0.000 0.896 478 Q HN 0.167 nan 8.270 nan 0.000 0.447 479 S N -0.107 115.608 115.700 0.025 0.000 2.465 479 S HA -0.091 4.379 4.470 0.000 0.000 0.241 479 S C 1.539 176.154 174.600 0.026 0.000 1.000 479 S CA 1.025 59.238 58.200 0.021 0.000 0.964 479 S CB -0.073 63.136 63.200 0.014 0.000 0.763 479 S HN 0.451 nan 8.310 nan 0.000 0.512 480 A N -0.547 122.291 122.820 0.030 0.000 2.192 480 A HA 0.687 5.007 4.320 0.000 0.000 0.208 480 A C 1.925 179.530 177.584 0.035 0.000 1.220 480 A CA 0.687 52.738 52.037 0.022 0.000 0.900 480 A CB -0.310 18.695 19.000 0.009 0.000 0.937 480 A HN 0.423 nan 8.150 nan 0.000 0.487 481 A N 0.101 122.964 122.820 0.072 0.000 1.943 481 A HA 0.071 4.391 4.320 0.000 0.000 0.213 481 A C 1.666 179.332 177.584 0.137 0.000 1.181 481 A CA 1.043 53.164 52.037 0.141 0.000 0.653 481 A CB -0.241 18.938 19.000 0.298 0.000 0.833 481 A HN 0.408 nan 8.150 nan 0.000 0.451 482 E N -0.186 120.072 120.200 0.096 0.000 2.427 482 E HA -0.037 4.313 4.350 0.000 0.000 0.196 482 E C 1.575 178.210 176.600 0.060 0.000 1.028 482 E CA 0.784 57.229 56.400 0.076 0.000 0.864 482 E CB 0.074 29.805 29.700 0.052 0.000 0.813 482 E HN 0.506 nan 8.360 nan 0.000 0.514 483 S N 0.270 116.000 115.700 0.051 0.000 2.475 483 S HA -0.056 4.415 4.470 0.000 0.000 0.224 483 S C 2.126 176.748 174.600 0.036 0.000 1.042 483 S CA 1.078 59.299 58.200 0.035 0.000 0.935 483 S CB 0.128 63.342 63.200 0.024 0.000 0.801 483 S HN 0.389 nan 8.310 nan 0.000 0.509 484 T N 0.462 115.043 114.554 0.043 0.000 3.043 484 T HA 0.040 4.391 4.350 0.000 0.000 0.263 484 T C 1.463 176.201 174.700 0.063 0.000 1.094 484 T CA 1.035 63.160 62.100 0.042 0.000 1.127 484 T CB -0.363 68.519 68.868 0.024 0.000 0.905 484 T HN 0.719 nan 8.240 nan 0.000 0.490 485 E N 0.065 120.320 120.200 0.093 0.000 2.385 485 E HA 0.142 4.492 4.350 0.000 0.000 0.194 485 E C 1.984 178.628 176.600 0.073 0.000 1.013 485 E CA -0.004 56.463 56.400 0.111 0.000 0.866 485 E CB -0.296 29.513 29.700 0.180 0.000 0.832 485 E HN 0.275 nan 8.360 nan 0.000 0.500 486 M N 1.149 120.782 119.600 0.056 0.000 2.091 486 M HA -0.043 4.437 4.480 0.000 0.000 0.259 486 M C 2.021 178.339 176.300 0.030 0.000 1.076 486 M CA 1.366 56.689 55.300 0.038 0.000 1.111 486 M CB -0.446 32.172 32.600 0.030 0.000 1.291 486 M HN 0.152 nan 8.290 nan 0.000 0.417 487 L N -0.256 120.983 121.223 0.027 0.000 2.171 487 L HA -0.307 4.034 4.340 0.000 0.000 0.216 487 L C 2.324 179.207 176.870 0.022 0.000 1.084 487 L CA 1.510 56.362 54.840 0.019 0.000 0.771 487 L CB -0.809 41.259 42.059 0.015 0.000 0.890 487 L HN 0.370 nan 8.230 nan 0.000 0.437 488 L N -0.700 120.542 121.223 0.031 0.000 2.127 488 L HA -0.270 4.070 4.340 0.000 0.000 0.211 488 L C 2.710 179.592 176.870 0.019 0.000 1.089 488 L CA 1.470 56.330 54.840 0.033 0.000 0.757 488 L CB -0.165 41.925 42.059 0.051 0.000 0.899 488 L HN 0.311 nan 8.230 nan 0.000 0.434 489 R N -0.095 120.417 120.500 0.020 0.000 2.056 489 R HA -0.030 4.310 4.340 0.000 0.000 0.227 489 R C 0.618 176.929 176.300 0.018 0.000 1.149 489 R CA 0.196 56.305 56.100 0.015 0.000 0.937 489 R CB -1.389 28.915 30.300 0.005 0.000 0.835 489 R HN -0.015 nan 8.270 nan 0.000 0.430 490 I N 3.732 124.314 120.570 0.020 0.000 3.363 490 I HA -0.215 3.955 4.170 0.000 0.000 0.329 490 I C 0.036 176.170 176.117 0.028 0.000 1.086 490 I CA 0.919 62.232 61.300 0.022 0.000 1.939 490 I CB -0.348 37.661 38.000 0.015 0.000 1.112 490 I HN 0.646 nan 8.210 nan 0.000 0.415 491 D N 3.307 123.729 120.400 0.037 0.000 2.740 491 D HA 0.232 4.872 4.640 0.000 0.000 0.305 491 D C -0.491 175.843 176.300 0.056 0.000 1.583 491 D CA -0.420 53.607 54.000 0.046 0.000 0.790 491 D CB 0.004 40.830 40.800 0.044 0.000 1.187 491 D HN 0.605 nan 8.370 nan 0.000 0.447 492 D N -0.517 119.916 120.400 0.054 0.000 2.655 492 D HA 0.487 5.127 4.640 0.000 0.000 0.229 492 D C -1.771 174.565 176.300 0.061 0.000 1.229 492 D CA -1.013 53.021 54.000 0.057 0.000 0.807 492 D CB 2.476 43.299 40.800 0.039 0.000 1.514 492 D HN -0.090 nan 8.370 nan 0.000 0.444 493 V N 4.119 124.077 119.914 0.074 0.000 2.757 493 V HA 0.359 4.479 4.120 0.000 0.000 0.262 493 V C -1.674 174.448 176.094 0.046 0.000 0.971 493 V CA -0.472 61.877 62.300 0.081 0.000 0.906 493 V CB 0.852 32.731 31.823 0.094 0.000 1.056 493 V HN 0.656 nan 8.190 nan 0.000 0.489 494 I N 6.483 127.060 120.570 0.011 0.000 2.361 494 I HA 0.700 4.870 4.170 0.000 0.000 0.282 494 I C 0.615 176.725 176.117 -0.011 0.000 1.075 494 I CA -0.144 61.144 61.300 -0.020 0.000 1.205 494 I CB 1.123 39.112 38.000 -0.018 0.000 1.406 494 I HN 0.680 nan 8.210 nan 0.000 0.481 495 A N 5.196 128.010 122.820 -0.010 0.000 2.311 495 A HA 0.999 5.320 4.320 0.000 0.000 0.334 495 A C 0.031 177.613 177.584 -0.003 0.000 1.139 495 A CA -0.089 51.954 52.037 0.010 0.000 0.830 495 A CB 1.626 20.658 19.000 0.052 0.000 1.234 495 A HN 1.152 nan 8.150 nan 0.000 0.483 496 A N 0.010 122.834 122.820 0.006 0.000 2.446 496 A HA 0.420 4.740 4.320 0.000 0.000 0.663 496 A C -0.620 176.976 177.584 0.021 0.000 0.232 496 A CA -0.076 51.968 52.037 0.011 0.000 0.157 496 A CB -0.698 18.305 19.000 0.004 0.000 3.812 496 A HN 1.194 nan 8.150 nan 0.000 0.534 497 E N 0.000 120.209 120.200 0.016 0.000 2.725 497 E HA 0.000 4.350 4.350 0.000 0.000 0.291 497 E CA 0.000 56.410 56.400 0.016 0.000 0.976 497 E CB 0.000 29.707 29.700 0.011 0.000 0.812 497 E HN 0.000 nan 8.360 nan 0.000 0.440