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 2xqr_1_A DATA FIRST_RESID 5 DATA SEQUENCE NQPYRTGFHF QPPKNWMNDP NGPMIYKGIY HLFYQWNPKG AVWGNIVWAH DATA SEQUENCE STSTDLINWD PHPPAIFPSA PFDINGCWSG SATILPNGKP VILYTGIDPK DATA SEQUENCE NQQVQNIAEP KNLSDPYLRE WKKSPLNPLM APDAVNGINA SSFRDPTTAW DATA SEQUENCE LGQDKKWRVI IGSKIHRRGL AITYTSKDFL KWEKSPEPLH YDDGSGMWEC DATA SEQUENCE PDFFPVTRFG SNGVETSSFG EPNEILKHVL KISLDDTKHD YYTIGTYDRV DATA SEQUENCE KDKFVPDNGF KMDGTAPRYD YGKYYASKTF FDSAKNRRIL WGWTNESSSV DATA SEQUENCE EDDVEKGWSG IQTIPRKIWL DRSGKQLIQW PVREVERLRT KQVKNLRNKV DATA SEQUENCE LKSGSRLEVY GVTAAQADVE VLFKVRDLEK ADVIEPSWTD PQLIcSKMNV DATA SEQUENCE SVKSGLGPFG LMVLASKNLE EYTSVYFRIF KARQNSNKYV VLMcSDQSRS DATA SEQUENCE SLKEDNDKTT YGAFVDINPH QPLSLRALID HSVVESFGGK GRACITSRVY DATA SEQUENCE PKLAIGKSSH LFAFNYGYQS VDVLNLNAWS MNSAQIS 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.496 175.510 -0.023 0.000 1.280 5 N CA 0.000 53.032 53.050 -0.030 0.000 0.885 5 N CB 0.000 38.476 38.487 -0.019 0.000 1.341 6 Q N 1.091 120.869 119.800 -0.038 0.000 2.849 6 Q HA 0.402 4.741 4.340 -0.001 0.000 0.289 6 Q C -2.079 173.858 176.000 -0.104 0.000 1.012 6 Q CA -1.381 54.426 55.803 0.008 0.000 0.899 6 Q CB 1.707 30.480 28.738 0.059 0.000 1.235 6 Q HN 0.507 nan 8.270 nan 0.000 0.457 7 P HA -0.085 nan 4.420 nan 0.000 0.230 7 P C 0.305 177.415 177.300 -0.318 0.000 1.158 7 P CA 0.992 63.861 63.100 -0.386 0.000 0.769 7 P CB 0.252 31.619 31.700 -0.555 0.000 0.807 8 Y N -0.543 119.863 120.300 0.176 0.000 2.449 8 Y HA 0.267 4.816 4.550 -0.001 0.000 0.254 8 Y C 1.457 177.544 175.900 0.311 0.000 1.140 8 Y CA -0.862 57.406 58.100 0.279 0.000 1.272 8 Y CB -0.451 38.272 38.460 0.438 0.000 1.114 8 Y HN -0.209 nan 8.280 nan 0.000 0.525 9 R N 1.196 121.850 120.500 0.257 0.000 2.623 9 R HA 0.149 4.488 4.340 -0.001 0.000 0.271 9 R C 0.671 176.883 176.300 -0.145 0.000 1.043 9 R CA 0.446 56.446 56.100 -0.167 0.000 1.083 9 R CB 0.315 30.410 30.300 -0.342 0.000 0.974 9 R HN 0.177 nan 8.270 nan 0.000 0.436 10 T N -1.244 113.205 114.554 -0.175 0.000 2.913 10 T HA 0.268 4.617 4.350 -0.001 0.000 0.287 10 T C 1.235 175.939 174.700 0.007 0.000 1.008 10 T CA -0.521 61.559 62.100 -0.034 0.000 1.067 10 T CB 1.821 70.597 68.868 -0.153 0.000 0.996 10 T HN 0.607 nan 8.240 nan 0.000 0.513 11 G N 0.173 109.073 108.800 0.165 0.000 2.539 11 G HA2 0.178 4.137 3.960 -0.001 0.000 0.215 11 G HA3 0.178 4.137 3.960 -0.001 0.000 0.215 11 G C 0.616 175.667 174.900 0.251 0.000 1.141 11 G CA 0.167 45.401 45.100 0.223 0.000 0.806 11 G HN 0.898 nan 8.290 nan 0.000 0.533 12 F N -1.717 118.327 119.950 0.156 0.000 2.915 12 F HA 0.524 5.050 4.527 -0.001 0.000 0.347 12 F C 0.092 175.939 175.800 0.079 0.000 1.104 12 F CA -1.306 56.749 58.000 0.091 0.000 1.126 12 F CB -0.129 38.887 39.000 0.026 0.000 1.145 12 F HN -0.125 nan 8.300 nan 0.000 0.541 13 H N 1.146 120.089 119.070 -0.212 0.000 2.505 13 H HA 0.326 4.882 4.556 -0.001 0.000 0.351 13 H C -0.839 174.499 175.328 0.016 0.000 1.151 13 H CA -0.725 55.283 56.048 -0.066 0.000 1.339 13 H CB 0.874 30.534 29.762 -0.170 0.000 1.483 13 H HN 0.189 nan 8.280 nan 0.000 0.558 14 F N 3.346 123.336 119.950 0.068 0.000 2.504 14 F HA 0.169 4.695 4.527 -0.001 0.000 0.369 14 F C -0.014 175.658 175.800 -0.213 0.000 1.082 14 F CA 0.071 57.994 58.000 -0.130 0.000 1.216 14 F CB 0.011 38.835 39.000 -0.292 0.000 1.108 14 F HN 0.555 nan 8.300 nan 0.000 0.554 15 Q N 6.958 126.187 119.800 -0.951 0.000 2.472 15 Q HA 0.526 4.865 4.340 -0.001 0.000 0.281 15 Q C -3.200 172.239 176.000 -0.936 0.000 0.997 15 Q CA -2.152 53.156 55.803 -0.824 0.000 0.828 15 Q CB 2.144 30.605 28.738 -0.461 0.000 1.443 15 Q HN 0.280 nan 8.270 nan 0.000 0.390 16 P HA 0.222 nan 4.420 nan 0.000 0.275 16 P C -2.068 175.054 177.300 -0.296 0.000 1.266 16 P CA -1.151 61.668 63.100 -0.468 0.000 0.793 16 P CB 0.057 31.608 31.700 -0.247 0.000 1.074 17 P HA -0.103 nan 4.420 nan 0.000 0.217 17 P C 0.201 177.484 177.300 -0.028 0.000 1.150 17 P CA 1.959 64.985 63.100 -0.123 0.000 0.832 17 P CB 0.058 31.719 31.700 -0.065 0.000 0.787 18 K N -4.062 116.420 120.400 0.137 0.000 2.507 18 K HA 0.474 4.793 4.320 -0.001 0.000 0.284 18 K C -0.895 175.973 176.600 0.447 0.000 1.038 18 K CA -1.017 55.432 56.287 0.269 0.000 0.903 18 K CB 0.802 33.447 32.500 0.241 0.000 1.531 18 K HN -0.324 nan 8.250 nan 0.000 0.430 19 N N -1.189 117.753 118.700 0.403 0.000 6.320 19 N HA -0.205 4.534 4.740 -0.001 0.000 0.402 19 N C -1.453 174.285 175.510 0.380 0.000 1.032 19 N CA 0.574 53.811 53.050 0.311 0.000 2.000 19 N CB -0.428 38.110 38.487 0.086 0.000 0.715 19 N HN 0.732 nan 8.380 nan 0.000 0.530 20 W N 2.237 123.584 121.300 0.078 0.000 2.251 20 W HA 0.418 5.078 4.660 -0.001 0.000 0.327 20 W C -0.222 176.421 176.519 0.207 0.000 1.361 20 W CA -0.004 57.412 57.345 0.118 0.000 1.234 20 W CB 0.150 29.622 29.460 0.019 0.000 1.212 20 W HN 0.559 nan 8.180 nan 0.000 0.557 21 M N 8.103 127.413 119.600 -0.485 0.000 2.464 21 M HA 0.220 4.699 4.480 -0.001 0.000 0.308 21 M C -0.414 175.217 176.300 -1.116 0.000 1.127 21 M CA -0.488 54.581 55.300 -0.385 0.000 0.913 21 M CB 1.587 34.141 32.600 -0.076 0.000 1.689 21 M HN 0.632 nan 8.290 nan 0.000 0.445 22 N N 1.615 119.785 118.700 -0.882 0.000 2.426 22 N HA 0.277 5.016 4.740 -0.001 0.000 0.171 22 N C -1.154 173.711 175.510 -1.074 0.000 1.643 22 N CA -0.374 51.592 53.050 -1.807 0.000 1.131 22 N CB -0.450 37.031 38.487 -1.678 0.000 1.641 22 N HN 0.520 nan 8.380 nan 0.000 0.302 23 D N 3.038 123.038 120.400 -0.667 0.000 2.571 23 D HA 0.121 4.760 4.640 -0.001 0.000 0.231 23 D C -2.043 174.117 176.300 -0.234 0.000 1.133 23 D CA -0.115 53.739 54.000 -0.243 0.000 0.862 23 D CB -0.147 40.576 40.800 -0.128 0.000 1.179 23 D HN 0.308 nan 8.370 nan 0.000 0.474 24 P HA 0.118 nan 4.420 nan 0.000 0.275 24 P C -0.851 176.251 177.300 -0.331 0.000 1.227 24 P CA -0.268 62.657 63.100 -0.293 0.000 0.781 24 P CB 0.712 32.259 31.700 -0.255 0.000 0.906 25 N N 0.245 118.655 118.700 -0.484 0.000 2.238 25 N HA 0.463 5.203 4.740 -0.001 0.000 0.302 25 N C 0.164 175.465 175.510 -0.348 0.000 1.072 25 N CA -0.735 51.909 53.050 -0.676 0.000 0.792 25 N CB 1.292 38.733 38.487 -1.743 0.000 1.425 25 N HN 0.577 nan 8.380 nan 0.000 0.478 26 G N 1.987 110.724 108.800 -0.104 0.000 2.390 26 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.299 26 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.299 26 G C -2.403 172.621 174.900 0.207 0.000 1.002 26 G CA -0.532 44.685 45.100 0.195 0.000 0.979 26 G HN 0.441 nan 8.290 nan 0.000 0.513 27 P HA 0.339 nan 4.420 nan 0.000 0.267 27 P C 0.412 177.528 177.300 -0.307 0.000 1.205 27 P CA 0.421 63.368 63.100 -0.254 0.000 0.765 27 P CB 0.866 32.442 31.700 -0.206 0.000 0.828 28 M N 2.122 121.500 119.600 -0.369 0.000 2.880 28 M HA 0.639 5.118 4.480 -0.001 0.000 0.269 28 M C -1.726 174.693 176.300 0.197 0.000 1.248 28 M CA -1.334 53.963 55.300 -0.005 0.000 0.821 28 M CB 1.968 34.718 32.600 0.249 0.000 1.650 28 M HN 0.094 nan 8.290 nan 0.000 0.479 29 I N 1.375 122.221 120.570 0.459 0.000 2.509 29 I HA 0.782 4.951 4.170 -0.001 0.000 0.293 29 I C -2.231 174.133 176.117 0.411 0.000 1.020 29 I CA -0.401 61.140 61.300 0.401 0.000 1.088 29 I CB 2.151 40.360 38.000 0.349 0.000 1.267 29 I HN 0.695 nan 8.210 nan 0.000 0.430 30 Y N 6.499 126.914 120.300 0.191 0.000 2.390 30 Y HA 0.350 4.899 4.550 -0.001 0.000 0.324 30 Y C -0.272 175.673 175.900 0.074 0.000 1.151 30 Y CA -1.091 57.099 58.100 0.150 0.000 1.053 30 Y CB 1.285 39.853 38.460 0.182 0.000 1.277 30 Y HN 0.713 nan 8.280 nan 0.000 0.432 31 K N 4.626 124.708 120.400 -0.530 0.000 3.071 31 K HA -0.218 4.102 4.320 -0.001 0.000 0.262 31 K C 0.824 177.280 176.600 -0.240 0.000 0.977 31 K CA 1.173 57.195 56.287 -0.442 0.000 0.721 31 K CB -1.603 30.556 32.500 -0.568 0.000 1.293 31 K HN 1.552 nan 8.250 nan 0.000 0.475 32 G N -0.067 108.616 108.800 -0.196 0.000 2.179 32 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.257 32 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.257 32 G C 0.103 174.836 174.900 -0.280 0.000 1.010 32 G CA 0.618 45.584 45.100 -0.222 0.000 0.736 32 G HN 0.465 nan 8.290 nan 0.000 0.513 33 I N -0.155 120.277 120.570 -0.229 0.000 2.466 33 I HA 0.406 4.575 4.170 -0.001 0.000 0.289 33 I C -0.234 175.768 176.117 -0.192 0.000 1.026 33 I CA -1.349 59.825 61.300 -0.209 0.000 1.078 33 I CB 1.384 39.330 38.000 -0.091 0.000 1.249 33 I HN -0.005 nan 8.210 nan 0.000 0.429 34 Y N 4.778 125.072 120.300 -0.009 0.000 2.319 34 Y HA 0.305 4.854 4.550 -0.001 0.000 0.328 34 Y C 0.471 176.355 175.900 -0.027 0.000 1.133 34 Y CA -0.071 58.074 58.100 0.076 0.000 1.265 34 Y CB 0.393 38.932 38.460 0.131 0.000 1.218 34 Y HN 0.381 nan 8.280 nan 0.000 0.508 35 H N 3.749 122.993 119.070 0.290 0.000 2.489 35 H HA 0.415 4.970 4.556 -0.001 0.000 0.343 35 H C -1.324 173.914 175.328 -0.150 0.000 1.086 35 H CA -0.873 55.244 56.048 0.115 0.000 1.198 35 H CB 2.459 32.237 29.762 0.026 0.000 1.490 35 H HN 0.442 nan 8.280 nan 0.000 0.504 36 L N 4.181 125.251 121.223 -0.256 0.000 2.349 36 L HA 0.403 4.743 4.340 -0.001 0.000 0.278 36 L C -1.561 174.940 176.870 -0.615 0.000 0.996 36 L CA -0.419 53.988 54.840 -0.721 0.000 0.825 36 L CB 0.500 41.663 42.059 -1.494 0.000 1.243 36 L HN 0.314 nan 8.230 nan 0.000 0.412 37 F N 4.708 124.486 119.950 -0.287 0.000 2.450 37 F HA 0.745 5.271 4.527 -0.001 0.000 0.328 37 F C -0.488 175.054 175.800 -0.430 0.000 1.068 37 F CA -0.353 57.466 58.000 -0.301 0.000 1.007 37 F CB 1.354 40.172 39.000 -0.303 0.000 1.251 37 F HN 0.507 nan 8.300 nan 0.000 0.492 38 Y N -1.955 118.164 120.300 -0.301 0.000 2.592 38 Y HA 0.397 4.946 4.550 -0.001 0.000 0.334 38 Y C -1.373 174.375 175.900 -0.252 0.000 1.136 38 Y CA -1.738 56.133 58.100 -0.380 0.000 1.042 38 Y CB 0.631 38.910 38.460 -0.303 0.000 1.325 38 Y HN 0.415 nan 8.280 nan 0.000 0.457 39 Q N 1.944 121.653 119.800 -0.152 0.000 2.271 39 Q HA 0.080 4.419 4.340 -0.001 0.000 0.273 39 Q C -1.567 174.583 176.000 0.249 0.000 1.051 39 Q CA 0.671 56.456 55.803 -0.030 0.000 0.901 39 Q CB 1.239 29.948 28.738 -0.050 0.000 1.174 39 Q HN 0.884 nan 8.270 nan 0.000 0.385 40 W N 3.881 125.204 121.300 0.037 0.000 3.097 40 W HA 0.234 4.894 4.660 -0.001 0.000 0.335 40 W C -1.025 175.559 176.519 0.108 0.000 1.114 40 W CA -0.873 56.552 57.345 0.132 0.000 1.231 40 W CB 1.195 30.684 29.460 0.048 0.000 1.388 40 W HN 0.404 nan 8.180 nan 0.000 0.485 41 N N 6.739 125.248 118.700 -0.318 0.000 2.437 41 N HA 0.307 5.047 4.740 -0.001 0.000 0.243 41 N C -1.822 173.057 175.510 -1.051 0.000 1.041 41 N CA -2.095 50.645 53.050 -0.517 0.000 0.940 41 N CB 1.970 40.265 38.487 -0.320 0.000 1.133 41 N HN 0.107 nan 8.380 nan 0.000 0.506 42 P HA -0.099 nan 4.420 nan 0.000 0.225 42 P C -0.322 176.623 177.300 -0.592 0.000 1.148 42 P CA 1.421 63.853 63.100 -1.113 0.000 0.779 42 P CB 0.122 31.546 31.700 -0.459 0.000 0.780 43 K N -1.784 118.374 120.400 -0.404 0.000 3.165 43 K HA 0.610 4.930 4.320 -0.001 0.000 0.206 43 K C -0.083 176.418 176.600 -0.166 0.000 1.123 43 K CA -0.542 55.613 56.287 -0.220 0.000 0.978 43 K CB 0.472 32.876 32.500 -0.161 0.000 0.749 43 K HN -0.024 nan 8.250 nan 0.000 0.454 44 G N -0.353 108.350 108.800 -0.162 0.000 2.466 44 G HA2 0.454 4.413 3.960 -0.001 0.000 0.291 44 G HA3 0.454 4.413 3.960 -0.001 0.000 0.291 44 G C -0.939 173.967 174.900 0.011 0.000 1.460 44 G CA -0.374 44.678 45.100 -0.080 0.000 0.791 44 G HN 0.084 nan 8.290 nan 0.000 0.505 45 A N -0.816 122.040 122.820 0.060 0.000 2.423 45 A HA 0.616 4.935 4.320 -0.001 0.000 0.246 45 A C 0.858 178.598 177.584 0.260 0.000 1.278 45 A CA 0.934 53.070 52.037 0.166 0.000 0.903 45 A CB -0.577 18.476 19.000 0.088 0.000 0.997 45 A HN 2.067 nan 8.150 nan 0.000 0.510 46 V N -5.930 114.046 119.914 0.104 0.000 3.155 46 V HA 0.727 4.846 4.120 -0.001 0.000 0.313 46 V C -0.308 175.421 176.094 -0.608 0.000 1.162 46 V CA -1.737 60.497 62.300 -0.111 0.000 1.048 46 V CB 0.898 32.640 31.823 -0.135 0.000 1.092 46 V HN 0.405 nan 8.190 nan 0.000 0.447 47 W N 1.249 121.636 121.300 -1.521 0.000 2.210 47 W HA 0.606 5.265 4.660 -0.001 0.000 0.330 47 W C 0.449 176.572 176.519 -0.659 0.000 1.334 47 W CA 1.857 58.276 57.345 -1.544 0.000 1.227 47 W CB 0.336 28.969 29.460 -1.378 0.000 1.178 47 W HN 1.367 nan 8.180 nan 0.000 0.560 48 G N 4.034 112.050 108.800 -1.307 0.000 2.339 48 G HA2 0.042 4.001 3.960 -0.001 0.000 0.302 48 G HA3 0.042 4.001 3.960 -0.001 0.000 0.302 48 G C -0.477 173.985 174.900 -0.730 0.000 1.425 48 G CA -0.527 43.934 45.100 -1.065 0.000 0.899 48 G HN 0.827 nan 8.290 nan 0.000 0.619 49 N N -1.590 116.812 118.700 -0.496 0.000 2.710 49 N HA -0.186 4.553 4.740 -0.001 0.000 0.249 49 N C 0.244 175.617 175.510 -0.228 0.000 1.059 49 N CA 1.172 54.053 53.050 -0.282 0.000 0.720 49 N CB -0.915 37.427 38.487 -0.242 0.000 0.983 49 N HN 0.706 nan 8.380 nan 0.000 0.544 50 I N 0.837 121.249 120.570 -0.264 0.000 2.598 50 I HA 0.041 4.210 4.170 -0.001 0.000 0.284 50 I C 0.840 177.028 176.117 0.118 0.000 1.140 50 I CA -0.368 60.856 61.300 -0.127 0.000 1.420 50 I CB 0.885 38.762 38.000 -0.205 0.000 1.387 50 I HN 0.144 nan 8.210 nan 0.000 0.553 51 V N 3.845 123.861 119.914 0.170 0.000 3.126 51 V HA 0.588 4.708 4.120 -0.001 0.000 0.314 51 V C -1.282 175.015 176.094 0.339 0.000 1.138 51 V CA -1.051 61.422 62.300 0.289 0.000 1.034 51 V CB 1.678 33.672 31.823 0.284 0.000 1.075 51 V HN 0.606 nan 8.190 nan 0.000 0.442 52 W N 2.002 123.290 121.300 -0.019 0.000 2.416 52 W HA 0.775 5.434 4.660 -0.001 0.000 0.318 52 W C 0.657 177.112 176.519 -0.107 0.000 1.150 52 W CA 0.223 57.492 57.345 -0.127 0.000 1.392 52 W CB 0.330 29.610 29.460 -0.301 0.000 1.311 52 W HN 0.992 nan 8.180 nan 0.000 0.436 53 A N 3.150 125.842 122.820 -0.212 0.000 2.280 53 A HA 0.505 4.824 4.320 -0.001 0.000 0.268 53 A C -0.841 176.606 177.584 -0.227 0.000 1.111 53 A CA -0.132 51.643 52.037 -0.437 0.000 0.814 53 A CB 0.528 18.805 19.000 -1.205 0.000 1.093 53 A HN 0.735 nan 8.150 nan 0.000 0.498 54 H N -0.561 118.416 119.070 -0.155 0.000 3.026 54 H HA 0.530 5.085 4.556 -0.001 0.000 0.352 54 H C -1.541 173.868 175.328 0.135 0.000 1.090 54 H CA -0.451 55.620 56.048 0.038 0.000 1.268 54 H CB 1.449 31.376 29.762 0.275 0.000 1.816 54 H HN 0.632 nan 8.280 nan 0.000 0.518 55 S N 2.529 118.273 115.700 0.073 0.000 2.549 55 S HA 0.399 4.869 4.470 -0.001 0.000 0.280 55 S C -0.648 174.073 174.600 0.203 0.000 1.109 55 S CA -0.775 57.477 58.200 0.087 0.000 0.905 55 S CB 2.106 65.482 63.200 0.293 0.000 1.081 55 S HN 0.732 nan 8.310 nan 0.000 0.477 56 T N -1.228 113.485 114.554 0.265 0.000 2.924 56 T HA 0.875 5.224 4.350 -0.001 0.000 0.291 56 T C -0.437 174.322 174.700 0.099 0.000 1.045 56 T CA -0.844 61.387 62.100 0.218 0.000 1.015 56 T CB 1.778 70.756 68.868 0.184 0.000 1.103 56 T HN 0.531 nan 8.240 nan 0.000 0.496 57 S N -0.437 115.182 115.700 -0.136 0.000 2.570 57 S HA 0.603 5.073 4.470 -0.001 0.000 0.270 57 S C 0.376 174.905 174.600 -0.119 0.000 1.149 57 S CA -0.089 57.862 58.200 -0.416 0.000 0.837 57 S CB 1.550 63.909 63.200 -1.402 0.000 1.124 57 S HN 1.224 nan 8.310 nan 0.000 0.465 58 T N -0.817 113.678 114.554 -0.097 0.000 3.044 58 T HA 0.293 4.642 4.350 -0.001 0.000 0.260 58 T C 0.184 174.940 174.700 0.093 0.000 1.019 58 T CA 0.589 62.690 62.100 0.003 0.000 0.921 58 T CB -0.200 68.646 68.868 -0.036 0.000 1.053 58 T HN 0.627 nan 8.240 nan 0.000 0.533 59 D N 0.328 120.721 120.400 -0.010 0.000 2.516 59 D HA 0.186 4.825 4.640 -0.001 0.000 0.241 59 D C 1.094 177.266 176.300 -0.214 0.000 1.246 59 D CA -0.399 53.564 54.000 -0.063 0.000 0.808 59 D CB -0.507 40.225 40.800 -0.114 0.000 1.147 59 D HN 0.329 nan 8.370 nan 0.000 0.527 60 L N -0.368 120.622 121.223 -0.387 0.000 4.937 60 L HA -0.233 4.107 4.340 -0.001 0.000 0.422 60 L C 0.312 177.130 176.870 -0.086 0.000 1.059 60 L CA 0.543 55.189 54.840 -0.325 0.000 1.111 60 L CB -1.066 40.807 42.059 -0.309 0.000 2.033 60 L HN 0.194 nan 8.230 nan 0.000 0.708 61 I N -2.001 118.398 120.570 -0.285 0.000 4.033 61 I HA 0.186 4.355 4.170 -0.001 0.000 0.296 61 I C 1.066 177.152 176.117 -0.051 0.000 1.210 61 I CA 0.791 62.082 61.300 -0.014 0.000 1.341 61 I CB -0.198 37.773 38.000 -0.049 0.000 1.369 61 I HN 0.143 nan 8.210 nan 0.000 0.453 62 N N 0.763 119.282 118.700 -0.301 0.000 2.421 62 N HA 0.271 5.010 4.740 -0.001 0.000 0.285 62 N C -1.531 173.741 175.510 -0.397 0.000 1.027 62 N CA -0.149 52.791 53.050 -0.183 0.000 0.918 62 N CB 1.558 39.970 38.487 -0.126 0.000 1.152 62 N HN 0.039 nan 8.380 nan 0.000 0.485 63 W N 0.743 122.072 121.300 0.050 0.000 2.739 63 W HA 0.301 4.960 4.660 -0.001 0.000 0.331 63 W C -0.632 175.854 176.519 -0.055 0.000 1.049 63 W CA -0.694 56.683 57.345 0.052 0.000 1.234 63 W CB 1.423 31.016 29.460 0.220 0.000 1.404 63 W HN 0.226 nan 8.180 nan 0.000 0.477 64 D N 4.454 124.900 120.400 0.076 0.000 2.193 64 D HA 0.283 4.922 4.640 -0.001 0.000 0.244 64 D C -2.260 173.838 176.300 -0.335 0.000 1.064 64 D CA -1.424 52.480 54.000 -0.161 0.000 0.845 64 D CB 1.468 42.096 40.800 -0.288 0.000 1.148 64 D HN -0.081 nan 8.370 nan 0.000 0.464 65 P HA 0.191 nan 4.420 nan 0.000 0.277 65 P C -0.552 176.399 177.300 -0.582 0.000 1.240 65 P CA -0.075 62.826 63.100 -0.331 0.000 0.798 65 P CB 1.342 32.923 31.700 -0.199 0.000 0.979 66 H N -0.295 118.733 119.070 -0.071 0.000 2.949 66 H HA 0.450 5.005 4.556 -0.001 0.000 0.356 66 H C -2.129 173.229 175.328 0.051 0.000 1.212 66 H CA -1.726 54.313 56.048 -0.015 0.000 1.136 66 H CB 0.613 30.354 29.762 -0.035 0.000 1.869 66 H HN 0.250 nan 8.280 nan 0.000 0.556 67 P HA 0.094 nan 4.420 nan 0.000 0.270 67 P C -2.488 174.969 177.300 0.261 0.000 1.223 67 P CA -1.046 62.173 63.100 0.198 0.000 0.785 67 P CB -0.463 31.360 31.700 0.204 0.000 0.923 68 P HA -0.074 nan 4.420 nan 0.000 0.260 68 P C 0.255 177.803 177.300 0.414 0.000 1.172 68 P CA 0.672 63.948 63.100 0.293 0.000 0.760 68 P CB 0.235 32.095 31.700 0.268 0.000 0.773 69 A N 4.786 127.801 122.820 0.324 0.000 1.898 69 A HA 0.079 4.398 4.320 -0.001 0.000 0.214 69 A C 0.844 178.351 177.584 -0.127 0.000 1.183 69 A CA 1.178 53.306 52.037 0.152 0.000 0.622 69 A CB -0.238 18.727 19.000 -0.060 0.000 0.824 69 A HN 0.540 nan 8.150 nan 0.000 0.444 70 I N 0.199 120.648 120.570 -0.202 0.000 2.512 70 I HA 0.496 4.666 4.170 -0.001 0.000 0.287 70 I C -1.307 174.681 176.117 -0.214 0.000 1.069 70 I CA -0.657 60.301 61.300 -0.571 0.000 1.056 70 I CB 1.957 39.184 38.000 -1.288 0.000 1.229 70 I HN 0.363 nan 8.210 nan 0.000 0.429 71 F N 4.702 124.550 119.950 -0.171 0.000 2.686 71 F HA 0.718 5.244 4.527 -0.001 0.000 0.311 71 F C -3.073 172.687 175.800 -0.066 0.000 1.128 71 F CA -3.205 54.758 58.000 -0.063 0.000 0.946 71 F CB 0.421 39.419 39.000 -0.003 0.000 1.336 71 F HN 0.065 nan 8.300 nan 0.000 0.457 72 P HA 0.152 nan 4.420 nan 0.000 0.260 72 P C -0.025 177.304 177.300 0.049 0.000 1.185 72 P CA 0.397 63.526 63.100 0.048 0.000 0.763 72 P CB 0.726 32.459 31.700 0.055 0.000 0.776 73 S N 1.849 117.469 115.700 -0.132 0.000 3.088 73 S HA 0.642 5.111 4.470 -0.001 0.000 0.249 73 S C -0.109 174.349 174.600 -0.237 0.000 0.877 73 S CA -0.118 58.007 58.200 -0.126 0.000 1.184 73 S CB -0.121 62.971 63.200 -0.180 0.000 1.170 73 S HN 0.594 nan 8.310 nan 0.000 0.603 74 A N 1.190 123.785 122.820 -0.375 0.000 2.569 74 A HA 0.739 5.059 4.320 -0.001 0.000 0.292 74 A C -2.821 174.416 177.584 -0.578 0.000 1.032 74 A CA -1.032 50.671 52.037 -0.557 0.000 0.669 74 A CB -0.063 18.322 19.000 -1.026 0.000 1.290 74 A HN -0.031 nan 8.150 nan 0.000 0.422 75 P HA -0.184 nan 4.420 nan 0.000 0.217 75 P C 1.261 178.428 177.300 -0.222 0.000 1.162 75 P CA 2.482 65.447 63.100 -0.226 0.000 0.901 75 P CB -0.291 31.355 31.700 -0.090 0.000 0.793 76 F N -0.227 119.683 119.950 -0.066 0.000 2.546 76 F HA 0.001 4.527 4.527 -0.001 0.000 0.298 76 F C 0.574 176.307 175.800 -0.112 0.000 1.120 76 F CA 0.926 58.867 58.000 -0.098 0.000 1.456 76 F CB -1.280 37.650 39.000 -0.116 0.000 1.088 76 F HN 0.014 nan 8.300 nan 0.000 0.572 77 D N -1.131 119.136 120.400 -0.221 0.000 2.651 77 D HA 0.051 4.690 4.640 -0.001 0.000 0.280 77 D C 1.134 177.365 176.300 -0.115 0.000 1.496 77 D CA -0.317 53.639 54.000 -0.074 0.000 0.792 77 D CB -1.271 39.589 40.800 0.099 0.000 1.144 77 D HN 0.248 nan 8.370 nan 0.000 0.470 78 I N 0.865 121.340 120.570 -0.157 0.000 2.361 78 I HA -0.091 4.078 4.170 -0.001 0.000 0.251 78 I C 0.806 176.884 176.117 -0.065 0.000 1.133 78 I CA 1.183 62.414 61.300 -0.115 0.000 1.413 78 I CB -0.101 37.829 38.000 -0.116 0.000 1.073 78 I HN -0.012 nan 8.210 nan 0.000 0.424 79 N N 0.959 119.615 118.700 -0.072 0.000 2.268 79 N HA 0.324 5.063 4.740 -0.001 0.000 0.204 79 N C 0.097 175.584 175.510 -0.038 0.000 1.124 79 N CA 0.782 53.798 53.050 -0.057 0.000 0.838 79 N CB 0.620 39.064 38.487 -0.073 0.000 0.994 79 N HN 0.391 nan 8.380 nan 0.000 0.489 80 G N -0.449 108.344 108.800 -0.011 0.000 2.307 80 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.348 80 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.348 80 G C -1.398 173.604 174.900 0.169 0.000 1.603 80 G CA -0.930 44.236 45.100 0.110 0.000 0.961 80 G HN 0.122 nan 8.290 nan 0.000 0.686 81 C N 2.417 121.928 119.300 0.352 0.000 2.184 81 C HA 0.617 5.077 4.460 -0.001 0.000 0.328 81 C C 0.410 175.855 174.990 0.757 0.000 1.081 81 C CA -0.947 58.328 59.018 0.427 0.000 1.533 81 C CB -1.579 26.240 27.740 0.131 0.000 1.905 81 C HN 0.541 nan 8.230 nan 0.000 0.439 82 W N 1.412 122.953 121.300 0.402 0.000 1.998 82 W HA 0.438 5.097 4.660 -0.001 0.000 0.441 82 W C 0.910 177.723 176.519 0.490 0.000 1.859 82 W CA -0.762 56.809 57.345 0.376 0.000 2.071 82 W CB -0.248 29.378 29.460 0.276 0.000 1.474 82 W HN 0.394 nan 8.180 nan 0.000 0.734 83 S N -0.126 115.876 115.700 0.504 0.000 2.589 83 S HA 0.610 5.079 4.470 -0.001 0.000 0.265 83 S C 0.276 175.130 174.600 0.423 0.000 1.342 83 S CA 0.460 58.839 58.200 0.299 0.000 1.005 83 S CB 0.607 63.874 63.200 0.111 0.000 0.909 83 S HN 0.667 nan 8.310 nan 0.000 0.555 84 G N 0.033 109.055 108.800 0.370 0.000 2.428 84 G HA2 0.544 4.503 3.960 -0.001 0.000 0.304 84 G HA3 0.544 4.503 3.960 -0.001 0.000 0.304 84 G C -1.715 173.374 174.900 0.315 0.000 1.303 84 G CA -0.623 44.717 45.100 0.399 0.000 0.825 84 G HN 0.705 nan 8.290 nan 0.000 0.484 85 S N -1.337 114.536 115.700 0.289 0.000 2.588 85 S HA 0.826 5.295 4.470 -0.001 0.000 0.275 85 S C -0.208 174.516 174.600 0.206 0.000 1.130 85 S CA 0.001 58.340 58.200 0.231 0.000 0.855 85 S CB 1.734 65.064 63.200 0.217 0.000 1.116 85 S HN 1.694 nan 8.310 nan 0.000 0.472 86 A N 1.361 124.307 122.820 0.210 0.000 2.301 86 A HA 0.754 5.073 4.320 -0.001 0.000 0.312 86 A C -0.205 177.515 177.584 0.227 0.000 1.182 86 A CA -0.414 51.737 52.037 0.190 0.000 0.826 86 A CB 0.378 19.507 19.000 0.215 0.000 1.134 86 A HN 0.595 nan 8.150 nan 0.000 0.501 87 T N 3.210 117.873 114.554 0.181 0.000 2.807 87 T HA 0.454 4.803 4.350 -0.001 0.000 0.279 87 T C -0.304 174.456 174.700 0.100 0.000 0.993 87 T CA -0.253 61.952 62.100 0.175 0.000 0.970 87 T CB 0.713 69.659 68.868 0.130 0.000 0.950 87 T HN 0.416 nan 8.240 nan 0.000 0.441 88 I N 4.501 125.183 120.570 0.187 0.000 2.297 88 I HA 0.291 4.460 4.170 -0.001 0.000 0.291 88 I C 0.417 176.635 176.117 0.167 0.000 1.033 88 I CA -0.515 60.891 61.300 0.176 0.000 1.253 88 I CB 0.436 38.597 38.000 0.268 0.000 1.396 88 I HN 0.494 nan 8.210 nan 0.000 0.476 89 L N 8.250 129.508 121.223 0.058 0.000 2.466 89 L HA 0.193 4.532 4.340 -0.001 0.000 0.257 89 L C -0.964 176.028 176.870 0.203 0.000 1.189 89 L CA -1.265 53.639 54.840 0.107 0.000 0.813 89 L CB 0.018 42.034 42.059 -0.072 0.000 1.118 89 L HN 0.313 nan 8.230 nan 0.000 0.471 90 P HA -0.184 nan 4.420 nan 0.000 0.217 90 P C 0.865 178.250 177.300 0.141 0.000 1.151 90 P CA 1.325 64.542 63.100 0.194 0.000 0.849 90 P CB -0.108 31.700 31.700 0.179 0.000 0.787 91 N N -1.019 117.753 118.700 0.120 0.000 2.573 91 N HA -0.045 4.694 4.740 -0.001 0.000 0.187 91 N C 1.307 176.877 175.510 0.101 0.000 1.107 91 N CA 1.516 54.621 53.050 0.092 0.000 0.918 91 N CB -1.048 37.480 38.487 0.069 0.000 0.966 91 N HN 0.268 nan 8.380 nan 0.000 0.448 92 G N -0.479 108.399 108.800 0.129 0.000 2.195 92 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.224 92 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.224 92 G C -0.169 174.859 174.900 0.213 0.000 0.990 92 G CA 0.099 45.301 45.100 0.171 0.000 0.639 92 G HN 0.600 nan 8.290 nan 0.000 0.514 93 K N 2.063 122.529 120.400 0.110 0.000 2.276 93 K HA 0.464 4.783 4.320 -0.001 0.000 0.283 93 K C -2.273 174.295 176.600 -0.053 0.000 1.044 93 K CA -1.675 54.621 56.287 0.015 0.000 0.944 93 K CB 1.262 33.737 32.500 -0.042 0.000 1.012 93 K HN 0.120 nan 8.250 nan 0.000 0.472 94 P HA 0.095 nan 4.420 nan 0.000 0.290 94 P C -1.004 176.263 177.300 -0.055 0.000 1.276 94 P CA -0.521 62.521 63.100 -0.096 0.000 0.808 94 P CB 1.312 32.910 31.700 -0.170 0.000 0.966 95 V N 1.106 121.025 119.914 0.008 0.000 2.962 95 V HA 0.649 4.769 4.120 -0.001 0.000 0.313 95 V C -0.544 175.621 176.094 0.119 0.000 1.099 95 V CA -1.119 61.228 62.300 0.078 0.000 0.971 95 V CB 2.228 34.020 31.823 -0.051 0.000 1.028 95 V HN 0.323 nan 8.190 nan 0.000 0.430 96 I N 3.277 123.896 120.570 0.081 0.000 2.406 96 I HA 0.480 4.650 4.170 -0.001 0.000 0.290 96 I C -0.764 175.341 176.117 -0.020 0.000 0.999 96 I CA -0.540 60.706 61.300 -0.090 0.000 1.124 96 I CB 1.880 39.539 38.000 -0.568 0.000 1.289 96 I HN 0.488 nan 8.210 nan 0.000 0.441 97 L N 7.698 128.931 121.223 0.016 0.000 2.295 97 L HA 0.528 4.867 4.340 -0.001 0.000 0.285 97 L C -1.003 175.886 176.870 0.032 0.000 1.035 97 L CA -0.736 54.068 54.840 -0.060 0.000 0.806 97 L CB 1.102 43.059 42.059 -0.170 0.000 1.214 97 L HN 0.527 nan 8.230 nan 0.000 0.426 98 Y N -0.074 120.104 120.300 -0.204 0.000 2.581 98 Y HA 0.521 5.070 4.550 -0.001 0.000 0.337 98 Y C -0.720 175.124 175.900 -0.094 0.000 1.108 98 Y CA -1.132 56.915 58.100 -0.088 0.000 1.033 98 Y CB 1.238 39.557 38.460 -0.236 0.000 1.318 98 Y HN 0.312 nan 8.280 nan 0.000 0.459 99 T N 2.623 117.204 114.554 0.046 0.000 2.794 99 T HA 0.554 4.904 4.350 -0.001 0.000 0.296 99 T C 0.251 174.947 174.700 -0.008 0.000 0.949 99 T CA 0.173 62.236 62.100 -0.062 0.000 1.101 99 T CB 0.606 69.538 68.868 0.106 0.000 0.905 99 T HN 0.979 nan 8.240 nan 0.000 0.516 100 G N 2.513 111.190 108.800 -0.206 0.000 2.400 100 G HA2 0.593 4.553 3.960 -0.001 0.000 0.333 100 G HA3 0.593 4.553 3.960 -0.001 0.000 0.333 100 G C -0.547 174.216 174.900 -0.229 0.000 1.143 100 G CA -0.722 44.310 45.100 -0.114 0.000 0.914 100 G HN 0.618 nan 8.290 nan 0.000 0.480 101 I N 2.916 123.300 120.570 -0.310 0.000 2.312 101 I HA 0.181 4.350 4.170 -0.001 0.000 0.291 101 I C 0.185 176.196 176.117 -0.176 0.000 1.031 101 I CA -0.872 60.217 61.300 -0.352 0.000 1.293 101 I CB 0.770 38.474 38.000 -0.494 0.000 1.403 101 I HN 0.629 nan 8.210 nan 0.000 0.484 102 D N 8.691 129.015 120.400 -0.127 0.000 2.478 102 D HA 0.269 4.908 4.640 -0.001 0.000 0.269 102 D C -2.263 173.995 176.300 -0.069 0.000 1.232 102 D CA -1.866 52.090 54.000 -0.072 0.000 1.059 102 D CB 0.720 41.499 40.800 -0.034 0.000 1.104 102 D HN 0.116 nan 8.370 nan 0.000 0.566 103 P HA -0.017 nan 4.420 nan 0.000 0.225 103 P C 0.369 177.646 177.300 -0.038 0.000 1.148 103 P CA 1.351 64.423 63.100 -0.047 0.000 0.779 103 P CB 0.126 31.802 31.700 -0.039 0.000 0.780 104 K N -0.535 119.843 120.400 -0.037 0.000 2.437 104 K HA 0.157 4.476 4.320 -0.001 0.000 0.205 104 K C -0.027 176.551 176.600 -0.036 0.000 1.026 104 K CA -0.187 56.081 56.287 -0.031 0.000 1.153 104 K CB -0.271 32.213 32.500 -0.026 0.000 0.863 104 K HN -0.033 nan 8.250 nan 0.000 0.502 105 N N 2.103 120.772 118.700 -0.052 0.000 2.725 105 N HA -0.202 4.537 4.740 -0.001 0.000 0.249 105 N C -0.798 174.665 175.510 -0.079 0.000 1.103 105 N CA 1.092 54.101 53.050 -0.069 0.000 0.707 105 N CB -1.124 37.343 38.487 -0.033 0.000 1.043 105 N HN 0.506 nan 8.380 nan 0.000 0.553 106 Q N 0.275 120.031 119.800 -0.073 0.000 2.230 106 Q HA 0.307 4.646 4.340 -0.001 0.000 0.248 106 Q C 0.146 176.093 176.000 -0.088 0.000 0.915 106 Q CA -0.288 55.481 55.803 -0.058 0.000 0.900 106 Q CB 1.065 29.782 28.738 -0.035 0.000 1.229 106 Q HN 0.185 nan 8.270 nan 0.000 0.439 107 Q N 1.341 121.115 119.800 -0.044 0.000 2.296 107 Q HA 0.407 4.747 4.340 -0.001 0.000 0.257 107 Q C -0.572 175.471 176.000 0.070 0.000 0.942 107 Q CA -0.468 55.303 55.803 -0.052 0.000 0.939 107 Q CB 1.240 29.981 28.738 0.005 0.000 1.198 107 Q HN 0.466 nan 8.270 nan 0.000 0.429 108 V N -0.544 119.344 119.914 -0.043 0.000 3.078 108 V HA 0.523 4.642 4.120 -0.001 0.000 0.311 108 V C -1.276 174.686 176.094 -0.220 0.000 1.138 108 V CA -1.166 61.110 62.300 -0.040 0.000 1.007 108 V CB 2.387 34.178 31.823 -0.053 0.000 1.045 108 V HN 0.552 nan 8.190 nan 0.000 0.432 109 Q N 2.742 122.368 119.800 -0.290 0.000 2.325 109 Q HA 0.595 4.934 4.340 -0.001 0.000 0.262 109 Q C -1.149 174.536 176.000 -0.524 0.000 0.968 109 Q CA -0.309 55.214 55.803 -0.467 0.000 0.877 109 Q CB 1.533 29.935 28.738 -0.560 0.000 1.253 109 Q HN 0.870 nan 8.270 nan 0.000 0.448 110 N N 1.956 120.235 118.700 -0.701 0.000 2.328 110 N HA 0.555 5.295 4.740 -0.001 0.000 0.299 110 N C -0.704 174.467 175.510 -0.565 0.000 1.179 110 N CA -0.630 51.984 53.050 -0.725 0.000 0.793 110 N CB 2.352 40.300 38.487 -0.898 0.000 1.366 110 N HN 0.501 nan 8.380 nan 0.000 0.493 111 I N 0.420 120.786 120.570 -0.339 0.000 2.493 111 I HA 0.645 4.814 4.170 -0.001 0.000 0.298 111 I C -0.820 175.300 176.117 0.006 0.000 0.998 111 I CA -0.559 60.673 61.300 -0.112 0.000 1.137 111 I CB 1.311 39.292 38.000 -0.032 0.000 1.310 111 I HN 0.620 nan 8.210 nan 0.000 0.445 112 A N 6.406 129.263 122.820 0.062 0.000 2.413 112 A HA 0.796 5.115 4.320 -0.001 0.000 0.307 112 A C -1.255 176.459 177.584 0.216 0.000 1.087 112 A CA -0.510 51.581 52.037 0.092 0.000 0.750 112 A CB 1.499 20.453 19.000 -0.076 0.000 1.296 112 A HN 0.760 nan 8.150 nan 0.000 0.423 113 E N 0.739 121.074 120.200 0.224 0.000 2.413 113 E HA 0.633 4.983 4.350 -0.001 0.000 0.277 113 E C -3.089 173.332 176.600 -0.298 0.000 0.958 113 E CA -2.256 54.176 56.400 0.054 0.000 0.779 113 E CB 1.762 31.433 29.700 -0.048 0.000 1.278 113 E HN 0.251 nan 8.360 nan 0.000 0.456 114 P HA -0.009 nan 4.420 nan 0.000 0.266 114 P C -0.160 176.855 177.300 -0.475 0.000 1.195 114 P CA -0.029 62.471 63.100 -1.001 0.000 0.768 114 P CB 0.710 31.860 31.700 -0.916 0.000 0.838 115 K N 1.990 122.156 120.400 -0.391 0.000 2.243 115 K HA -0.014 4.305 4.320 -0.001 0.000 0.201 115 K C 0.246 176.751 176.600 -0.157 0.000 1.051 115 K CA 0.758 56.927 56.287 -0.196 0.000 0.970 115 K CB 0.139 32.566 32.500 -0.121 0.000 0.755 115 K HN 0.325 nan 8.250 nan 0.000 0.465 116 N N 0.332 118.918 118.700 -0.189 0.000 2.571 116 N HA 0.095 4.835 4.740 -0.001 0.000 0.286 116 N C -0.088 175.348 175.510 -0.123 0.000 1.138 116 N CA -0.205 52.775 53.050 -0.117 0.000 0.859 116 N CB 1.049 39.496 38.487 -0.066 0.000 1.414 116 N HN -0.024 nan 8.380 nan 0.000 0.529 117 L N 1.121 122.288 121.223 -0.094 0.000 2.376 117 L HA 0.015 4.354 4.340 -0.001 0.000 0.219 117 L C 1.660 178.572 176.870 0.071 0.000 1.133 117 L CA 0.682 55.509 54.840 -0.022 0.000 0.816 117 L CB -0.054 42.007 42.059 0.005 0.000 0.933 117 L HN 0.422 nan 8.230 nan 0.000 0.449 118 S N -1.260 114.448 115.700 0.012 0.000 2.453 118 S HA -0.102 4.367 4.470 -0.001 0.000 0.231 118 S C 0.712 175.306 174.600 -0.009 0.000 1.005 118 S CA 0.338 58.539 58.200 0.001 0.000 0.949 118 S CB -0.320 62.873 63.200 -0.012 0.000 0.774 118 S HN 0.358 nan 8.310 nan 0.000 0.510 119 D N 2.041 122.440 120.400 -0.003 0.000 2.344 119 D HA 0.149 4.788 4.640 -0.001 0.000 0.253 119 D C -1.798 174.500 176.300 -0.002 0.000 1.255 119 D CA -2.237 51.758 54.000 -0.008 0.000 0.894 119 D CB 1.162 41.970 40.800 0.014 0.000 1.067 119 D HN 0.028 nan 8.370 nan 0.000 0.492 120 P HA -0.102 nan 4.420 nan 0.000 0.221 120 P C 0.529 177.793 177.300 -0.059 0.000 1.150 120 P CA 1.066 64.047 63.100 -0.199 0.000 0.800 120 P CB -0.048 31.321 31.700 -0.552 0.000 0.787 121 Y N -0.947 119.461 120.300 0.179 0.000 2.490 121 Y HA 0.227 4.776 4.550 -0.001 0.000 0.281 121 Y C 1.032 177.083 175.900 0.251 0.000 1.174 121 Y CA -0.587 57.596 58.100 0.137 0.000 1.295 121 Y CB -0.618 37.774 38.460 -0.113 0.000 1.062 121 Y HN -0.323 nan 8.280 nan 0.000 0.522 122 L N 0.734 122.130 121.223 0.288 0.000 3.854 122 L HA -0.392 3.947 4.340 -0.001 0.000 0.460 122 L C 1.267 178.338 176.870 0.334 0.000 1.228 122 L CA 0.213 55.138 54.840 0.141 0.000 0.760 122 L CB -1.116 40.978 42.059 0.059 0.000 1.597 122 L HN 0.426 nan 8.230 nan 0.000 0.852 123 R N 0.317 120.952 120.500 0.225 0.000 2.073 123 R HA 0.024 4.363 4.340 -0.001 0.000 0.229 123 R C 0.493 177.004 176.300 0.352 0.000 1.120 123 R CA 1.090 57.367 56.100 0.294 0.000 0.967 123 R CB 0.117 30.519 30.300 0.171 0.000 0.862 123 R HN 0.548 nan 8.270 nan 0.000 0.436 124 E N -0.581 119.723 120.200 0.173 0.000 2.166 124 E HA 0.150 4.499 4.350 -0.001 0.000 0.275 124 E C -1.379 175.211 176.600 -0.016 0.000 0.941 124 E CA -0.460 56.031 56.400 0.152 0.000 0.784 124 E CB 1.357 31.105 29.700 0.079 0.000 1.115 124 E HN 0.021 nan 8.360 nan 0.000 0.399 125 W N 3.085 124.337 121.300 -0.081 0.000 2.702 125 W HA 0.293 4.952 4.660 -0.001 0.000 0.331 125 W C -0.092 176.330 176.519 -0.161 0.000 1.049 125 W CA -0.744 56.507 57.345 -0.156 0.000 1.230 125 W CB 1.315 30.614 29.460 -0.267 0.000 1.408 125 W HN 0.336 nan 8.180 nan 0.000 0.492 126 K N 1.771 122.197 120.400 0.044 0.000 2.185 126 K HA 0.812 5.131 4.320 -0.001 0.000 0.240 126 K C -0.807 175.817 176.600 0.039 0.000 0.983 126 K CA -1.041 55.254 56.287 0.013 0.000 0.873 126 K CB 2.062 34.553 32.500 -0.015 0.000 1.118 126 K HN 0.391 nan 8.250 nan 0.000 0.441 127 K N 0.747 121.178 120.400 0.051 0.000 2.371 127 K HA 0.195 4.514 4.320 -0.001 0.000 0.251 127 K C -0.953 175.682 176.600 0.058 0.000 0.934 127 K CA -0.892 55.447 56.287 0.087 0.000 0.798 127 K CB 2.189 34.824 32.500 0.225 0.000 1.204 127 K HN 0.657 nan 8.250 nan 0.000 0.427 128 S N 1.870 117.548 115.700 -0.038 0.000 2.564 128 S HA 0.144 4.613 4.470 -0.001 0.000 0.278 128 S C -1.726 172.830 174.600 -0.073 0.000 1.333 128 S CA -1.290 56.873 58.200 -0.062 0.000 1.048 128 S CB 0.456 63.600 63.200 -0.093 0.000 0.900 128 S HN 0.321 nan 8.310 nan 0.000 0.505 129 P HA 0.050 nan 4.420 nan 0.000 0.234 129 P C 0.726 178.006 177.300 -0.034 0.000 1.167 129 P CA 0.712 63.825 63.100 0.022 0.000 0.763 129 P CB 0.030 31.747 31.700 0.028 0.000 0.835 130 L N -1.993 119.175 121.223 -0.092 0.000 2.554 130 L HA 0.066 4.405 4.340 -0.001 0.000 0.226 130 L C 0.645 177.391 176.870 -0.206 0.000 1.137 130 L CA 0.028 54.806 54.840 -0.104 0.000 0.863 130 L CB -0.674 41.343 42.059 -0.069 0.000 0.985 130 L HN -0.037 nan 8.230 nan 0.000 0.451 131 N N 1.833 120.277 118.700 -0.427 0.000 2.454 131 N HA 0.104 4.843 4.740 -0.001 0.000 0.254 131 N C -2.230 172.998 175.510 -0.470 0.000 1.228 131 N CA -0.809 51.798 53.050 -0.738 0.000 0.900 131 N CB 0.349 37.757 38.487 -1.799 0.000 1.089 131 N HN -0.020 nan 8.380 nan 0.000 0.449 132 P HA 0.154 nan 4.420 nan 0.000 0.282 132 P C 0.480 177.640 177.300 -0.232 0.000 1.249 132 P CA -0.492 62.415 63.100 -0.321 0.000 0.806 132 P CB 0.993 32.580 31.700 -0.188 0.000 0.984 133 L N 1.294 122.359 121.223 -0.263 0.000 2.209 133 L HA 0.198 4.537 4.340 -0.001 0.000 0.207 133 L C 1.243 178.029 176.870 -0.140 0.000 1.094 133 L CA 1.587 56.338 54.840 -0.149 0.000 0.790 133 L CB -0.899 41.074 42.059 -0.143 0.000 0.932 133 L HN 0.445 nan 8.230 nan 0.000 0.447 134 M N -1.431 118.009 119.600 -0.266 0.000 2.327 134 M HA 0.635 5.114 4.480 -0.001 0.000 0.298 134 M C -0.808 175.455 176.300 -0.061 0.000 1.065 134 M CA -0.147 54.993 55.300 -0.267 0.000 0.916 134 M CB 2.785 34.942 32.600 -0.738 0.000 1.630 134 M HN -0.074 nan 8.290 nan 0.000 0.442 135 A N 2.912 125.754 122.820 0.037 0.000 2.609 135 A HA 1.001 5.320 4.320 -0.001 0.000 0.291 135 A C -3.078 174.437 177.584 -0.116 0.000 1.096 135 A CA -1.422 50.644 52.037 0.047 0.000 0.684 135 A CB 1.448 20.444 19.000 -0.007 0.000 1.282 135 A HN 0.455 nan 8.150 nan 0.000 0.412 136 P HA 0.538 nan 4.420 nan 0.000 0.278 136 P C -1.217 176.001 177.300 -0.136 0.000 1.238 136 P CA 0.205 63.137 63.100 -0.280 0.000 0.794 136 P CB 0.832 32.367 31.700 -0.275 0.000 0.955 137 D N -0.428 119.900 120.400 -0.121 0.000 2.779 137 D HA 0.432 5.071 4.640 -0.001 0.000 0.331 137 D C 0.481 176.737 176.300 -0.072 0.000 1.331 137 D CA -0.889 53.066 54.000 -0.075 0.000 0.866 137 D CB -0.162 40.609 40.800 -0.049 0.000 1.409 137 D HN 0.125 nan 8.370 nan 0.000 0.486 138 A N -0.376 122.413 122.820 -0.053 0.000 2.015 138 A HA 0.033 4.352 4.320 -0.001 0.000 0.219 138 A C 1.837 179.392 177.584 -0.048 0.000 1.163 138 A CA 1.735 53.744 52.037 -0.048 0.000 0.646 138 A CB -0.804 18.174 19.000 -0.036 0.000 0.806 138 A HN 0.353 nan 8.150 nan 0.000 0.448 139 V N 1.690 121.576 119.914 -0.046 0.000 2.273 139 V HA -0.216 3.903 4.120 -0.001 0.000 0.242 139 V C 2.378 178.438 176.094 -0.056 0.000 1.035 139 V CA 2.062 64.336 62.300 -0.043 0.000 1.013 139 V CB -1.191 30.612 31.823 -0.032 0.000 0.652 139 V HN 0.856 nan 8.190 nan 0.000 0.452 140 N N 1.471 120.131 118.700 -0.067 0.000 2.244 140 N HA 0.014 4.753 4.740 -0.001 0.000 0.183 140 N C 1.511 176.957 175.510 -0.107 0.000 1.016 140 N CA 1.316 54.312 53.050 -0.089 0.000 0.866 140 N CB -0.686 37.745 38.487 -0.094 0.000 0.980 140 N HN 0.558 nan 8.380 nan 0.000 0.430 141 G N -0.130 108.605 108.800 -0.108 0.000 2.179 141 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.257 141 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.257 141 G C -0.112 174.705 174.900 -0.139 0.000 1.010 141 G CA 0.364 45.400 45.100 -0.107 0.000 0.736 141 G HN 0.461 nan 8.290 nan 0.000 0.513 142 I N 0.182 120.633 120.570 -0.198 0.000 2.696 142 I HA 0.087 4.256 4.170 -0.001 0.000 0.284 142 I C 0.777 176.767 176.117 -0.212 0.000 1.129 142 I CA -0.315 60.830 61.300 -0.258 0.000 1.410 142 I CB 0.434 38.115 38.000 -0.531 0.000 1.399 142 I HN 0.125 nan 8.210 nan 0.000 0.579 143 N N 4.340 122.952 118.700 -0.146 0.000 2.405 143 N HA 0.184 4.923 4.740 -0.001 0.000 0.260 143 N C 0.847 176.332 175.510 -0.041 0.000 1.152 143 N CA -0.108 52.890 53.050 -0.086 0.000 0.948 143 N CB 1.197 39.646 38.487 -0.063 0.000 1.111 143 N HN 0.733 nan 8.380 nan 0.000 0.485 144 A N 1.795 124.587 122.820 -0.046 0.000 2.125 144 A HA -0.109 4.211 4.320 -0.001 0.000 0.219 144 A C 1.629 179.241 177.584 0.047 0.000 1.156 144 A CA 1.107 53.139 52.037 -0.008 0.000 0.671 144 A CB -0.013 18.969 19.000 -0.031 0.000 0.794 144 A HN 0.568 nan 8.150 nan 0.000 0.459 145 S N -0.625 115.105 115.700 0.049 0.000 2.556 145 S HA 0.181 4.650 4.470 -0.001 0.000 0.216 145 S C 0.410 175.087 174.600 0.130 0.000 0.970 145 S CA 0.153 58.400 58.200 0.079 0.000 0.912 145 S CB 0.317 63.554 63.200 0.060 0.000 0.790 145 S HN 0.345 nan 8.310 nan 0.000 0.504 146 S N 1.555 117.341 115.700 0.144 0.000 2.235 146 S HA 0.462 4.931 4.470 -0.001 0.000 0.152 146 S C -1.119 173.645 174.600 0.274 0.000 1.649 146 S CA -0.445 57.862 58.200 0.178 0.000 1.277 146 S CB 0.153 63.422 63.200 0.115 0.000 1.299 146 S HN 0.380 nan 8.310 nan 0.000 0.388 147 F N 3.549 123.544 119.950 0.075 0.000 3.282 147 F HA 0.432 4.958 4.527 -0.001 0.000 0.398 147 F C -0.521 175.316 175.800 0.062 0.000 1.205 147 F CA -0.388 57.644 58.000 0.052 0.000 1.273 147 F CB 0.434 39.440 39.000 0.009 0.000 2.153 147 F HN 0.397 nan 8.300 nan 0.000 0.680 148 R N 1.674 122.102 120.500 -0.120 0.000 2.747 148 R HA 0.623 4.962 4.340 -0.001 0.000 0.272 148 R C -1.640 174.640 176.300 -0.032 0.000 1.032 148 R CA -0.913 55.141 56.100 -0.076 0.000 0.896 148 R CB 1.140 31.557 30.300 0.195 0.000 1.253 148 R HN 0.151 nan 8.270 nan 0.000 0.461 149 D N -0.701 119.718 120.400 0.031 0.000 3.061 149 D HA -0.065 4.574 4.640 -0.001 0.000 0.252 149 D C -2.474 173.843 176.300 0.028 0.000 1.080 149 D CA 0.264 54.313 54.000 0.080 0.000 0.871 149 D CB -1.031 39.844 40.800 0.125 0.000 1.018 149 D HN 0.419 nan 8.370 nan 0.000 0.425 150 P HA 0.081 nan 4.420 nan 0.000 0.268 150 P C 0.755 178.092 177.300 0.061 0.000 1.205 150 P CA 0.040 63.099 63.100 -0.069 0.000 0.771 150 P CB 0.596 32.186 31.700 -0.183 0.000 0.858 151 T N -0.372 114.253 114.554 0.118 0.000 2.788 151 T HA 0.227 4.576 4.350 -0.001 0.000 0.280 151 T C 0.244 175.100 174.700 0.260 0.000 0.984 151 T CA -0.556 61.689 62.100 0.242 0.000 0.972 151 T CB -0.314 68.783 68.868 0.382 0.000 1.039 151 T HN 0.209 nan 8.240 nan 0.000 0.530 152 T N 1.828 116.589 114.554 0.345 0.000 2.940 152 T HA 0.456 4.805 4.350 -0.001 0.000 0.309 152 T C 0.533 175.543 174.700 0.518 0.000 1.056 152 T CA -0.070 62.266 62.100 0.393 0.000 1.137 152 T CB 0.031 69.146 68.868 0.412 0.000 0.976 152 T HN 0.943 nan 8.240 nan 0.000 0.547 153 A N 2.998 126.115 122.820 0.495 0.000 2.302 153 A HA 0.690 5.009 4.320 -0.001 0.000 0.285 153 A C -0.580 177.531 177.584 0.879 0.000 1.105 153 A CA -0.925 51.449 52.037 0.561 0.000 0.816 153 A CB 0.403 19.732 19.000 0.549 0.000 1.067 153 A HN 0.963 nan 8.150 nan 0.000 0.489 154 W N 1.003 122.739 121.300 0.727 0.000 2.785 154 W HA 0.603 5.262 4.660 -0.001 0.000 0.333 154 W C -1.559 175.184 176.519 0.372 0.000 1.062 154 W CA -1.265 56.408 57.345 0.546 0.000 1.233 154 W CB 0.901 30.579 29.460 0.364 0.000 1.413 154 W HN 0.502 nan 8.180 nan 0.000 0.489 155 L N 4.724 125.984 121.223 0.061 0.000 2.260 155 L HA 0.706 5.046 4.340 -0.001 0.000 0.289 155 L C 0.549 177.421 176.870 0.003 0.000 1.057 155 L CA -0.050 54.511 54.840 -0.467 0.000 0.811 155 L CB 0.318 41.813 42.059 -0.939 0.000 1.184 155 L HN 0.775 nan 8.230 nan 0.000 0.429 156 G N 3.622 112.473 108.800 0.086 0.000 2.606 156 G HA2 0.194 4.153 3.960 -0.001 0.000 0.252 156 G HA3 0.194 4.153 3.960 -0.001 0.000 0.252 156 G C 0.559 175.654 174.900 0.325 0.000 1.206 156 G CA 0.047 45.334 45.100 0.311 0.000 0.861 156 G HN 0.781 nan 8.290 nan 0.000 0.561 157 Q N 0.592 120.657 119.800 0.441 0.000 2.217 157 Q HA -0.198 4.141 4.340 -0.001 0.000 0.209 157 Q C 1.115 177.129 176.000 0.025 0.000 0.988 157 Q CA 2.131 57.992 55.803 0.097 0.000 0.878 157 Q CB -0.638 28.014 28.738 -0.144 0.000 0.909 157 Q HN 0.686 nan 8.270 nan 0.000 0.424 158 D N -0.100 120.327 120.400 0.046 0.000 2.325 158 D HA 0.090 4.730 4.640 -0.001 0.000 0.234 158 D C -0.140 176.156 176.300 -0.007 0.000 1.122 158 D CA 0.051 54.057 54.000 0.011 0.000 0.850 158 D CB 0.028 40.839 40.800 0.019 0.000 0.921 158 D HN 0.361 nan 8.370 nan 0.000 0.513 159 K N -1.308 119.078 120.400 -0.024 0.000 3.407 159 K HA -0.228 4.091 4.320 -0.001 0.000 0.312 159 K C -0.477 176.048 176.600 -0.125 0.000 1.302 159 K CA 0.826 57.063 56.287 -0.084 0.000 0.931 159 K CB -1.419 31.053 32.500 -0.046 0.000 1.257 159 K HN 0.305 nan 8.250 nan 0.000 0.454 160 K N 0.312 120.659 120.400 -0.087 0.000 2.185 160 K HA 0.265 4.584 4.320 -0.001 0.000 0.269 160 K C -0.303 176.250 176.600 -0.079 0.000 0.987 160 K CA -0.694 55.556 56.287 -0.061 0.000 0.865 160 K CB 0.694 33.190 32.500 -0.008 0.000 1.090 160 K HN 0.022 nan 8.250 nan 0.000 0.450 161 W N 1.746 123.021 121.300 -0.042 0.000 2.137 161 W HA 0.169 4.828 4.660 -0.001 0.000 0.344 161 W C 0.524 176.988 176.519 -0.092 0.000 1.286 161 W CA -0.086 57.247 57.345 -0.020 0.000 1.240 161 W CB 0.506 29.982 29.460 0.026 0.000 1.141 161 W HN 0.276 nan 8.180 nan 0.000 0.579 162 R N 1.058 121.549 120.500 -0.016 0.000 2.740 162 R HA 0.770 5.109 4.340 -0.001 0.000 0.282 162 R C -1.360 174.648 176.300 -0.487 0.000 0.969 162 R CA -1.008 54.871 56.100 -0.369 0.000 0.918 162 R CB 1.974 31.717 30.300 -0.927 0.000 1.175 162 R HN 0.310 nan 8.270 nan 0.000 0.464 163 V N 4.112 123.878 119.914 -0.245 0.000 3.012 163 V HA 0.651 4.770 4.120 -0.001 0.000 0.307 163 V C -1.304 174.752 176.094 -0.062 0.000 1.166 163 V CA -0.771 61.384 62.300 -0.241 0.000 0.974 163 V CB 2.047 33.648 31.823 -0.369 0.000 1.040 163 V HN 0.743 nan 8.190 nan 0.000 0.428 164 I N 3.233 123.851 120.570 0.079 0.000 2.646 164 I HA 0.761 4.930 4.170 -0.001 0.000 0.299 164 I C -1.176 174.995 176.117 0.090 0.000 1.036 164 I CA -0.841 60.554 61.300 0.158 0.000 1.074 164 I CB 2.159 40.310 38.000 0.252 0.000 1.258 164 I HN 0.494 nan 8.210 nan 0.000 0.430 165 I N 3.089 123.712 120.570 0.088 0.000 2.582 165 I HA 0.523 4.692 4.170 -0.001 0.000 0.292 165 I C 0.567 176.741 176.117 0.095 0.000 1.066 165 I CA -0.551 60.730 61.300 -0.031 0.000 1.053 165 I CB 2.140 39.943 38.000 -0.328 0.000 1.241 165 I HN 0.818 nan 8.210 nan 0.000 0.421 166 G N 2.769 111.633 108.800 0.107 0.000 2.406 166 G HA2 0.488 4.448 3.960 -0.001 0.000 0.251 166 G HA3 0.488 4.448 3.960 -0.001 0.000 0.251 166 G C -0.440 174.584 174.900 0.207 0.000 1.271 166 G CA 0.091 45.325 45.100 0.223 0.000 0.859 166 G HN 0.561 nan 8.290 nan 0.000 0.540 167 S N 0.496 116.325 115.700 0.215 0.000 2.672 167 S HA 0.806 5.275 4.470 -0.001 0.000 0.271 167 S C -1.101 173.529 174.600 0.051 0.000 1.171 167 S CA -0.722 57.586 58.200 0.179 0.000 0.817 167 S CB 1.572 64.921 63.200 0.248 0.000 1.150 167 S HN 1.114 nan 8.310 nan 0.000 0.478 168 K N 0.605 121.018 120.400 0.022 0.000 2.575 168 K HA 0.680 5.000 4.320 -0.001 0.000 0.279 168 K C -1.824 174.730 176.600 -0.076 0.000 0.969 168 K CA -0.946 55.306 56.287 -0.059 0.000 0.868 168 K CB 1.086 33.573 32.500 -0.021 0.000 1.457 168 K HN 0.401 nan 8.250 nan 0.000 0.426 169 I N 3.658 124.167 120.570 -0.102 0.000 2.468 169 I HA 0.291 4.461 4.170 -0.001 0.000 0.284 169 I C 0.363 176.440 176.117 -0.067 0.000 1.038 169 I CA -0.122 61.090 61.300 -0.148 0.000 1.083 169 I CB 0.374 38.306 38.000 -0.113 0.000 1.223 169 I HN 0.847 nan 8.210 nan 0.000 0.443 170 H N 4.928 123.981 119.070 -0.027 0.000 1.452 170 H HA -0.228 4.327 4.556 -0.001 0.000 0.090 170 H C 0.847 176.171 175.328 -0.006 0.000 0.648 170 H CA 1.130 57.169 56.048 -0.015 0.000 1.901 170 H CB -0.524 29.226 29.762 -0.020 0.000 2.257 170 H HN 0.539 nan 8.280 nan 0.000 0.961 171 R N 2.519 123.113 120.500 0.156 0.000 2.334 171 R HA 0.129 4.469 4.340 -0.001 0.000 0.220 171 R C 1.005 177.339 176.300 0.056 0.000 0.917 171 R CA 0.027 56.178 56.100 0.086 0.000 1.073 171 R CB 0.045 30.389 30.300 0.072 0.000 1.056 171 R HN 0.291 nan 8.270 nan 0.000 0.506 172 R N 0.787 121.303 120.500 0.027 0.000 2.255 172 R HA 0.303 4.642 4.340 -0.001 0.000 0.326 172 R C -0.305 175.887 176.300 -0.179 0.000 0.986 172 R CA -0.204 55.873 56.100 -0.039 0.000 0.847 172 R CB 1.076 31.354 30.300 -0.037 0.000 1.111 172 R HN 0.026 nan 8.270 nan 0.000 0.452 173 G N 4.426 113.012 108.800 -0.356 0.000 2.415 173 G HA2 0.449 4.409 3.960 -0.001 0.000 0.269 173 G HA3 0.449 4.409 3.960 -0.001 0.000 0.269 173 G C -0.707 173.345 174.900 -1.414 0.000 1.209 173 G CA -0.585 43.913 45.100 -1.005 0.000 0.835 173 G HN 0.495 nan 8.290 nan 0.000 0.534 174 L N 0.576 121.157 121.223 -1.070 0.000 2.388 174 L HA 0.676 5.016 4.340 -0.001 0.000 0.264 174 L C 0.085 176.865 176.870 -0.149 0.000 0.998 174 L CA -1.180 53.310 54.840 -0.583 0.000 0.817 174 L CB 2.628 44.565 42.059 -0.205 0.000 1.338 174 L HN 0.592 nan 8.230 nan 0.000 0.414 175 A N 3.486 126.366 122.820 0.100 0.000 2.644 175 A HA 0.576 4.895 4.320 -0.001 0.000 0.343 175 A C -0.309 177.406 177.584 0.220 0.000 1.324 175 A CA -0.380 51.847 52.037 0.318 0.000 0.846 175 A CB -0.210 19.069 19.000 0.465 0.000 1.128 175 A HN 0.608 nan 8.150 nan 0.000 0.484 176 I N 2.226 122.925 120.570 0.214 0.000 2.598 176 I HA 0.068 4.237 4.170 -0.001 0.000 0.284 176 I C 0.289 176.554 176.117 0.246 0.000 1.140 176 I CA 0.577 62.011 61.300 0.222 0.000 1.420 176 I CB 0.949 39.160 38.000 0.353 0.000 1.387 176 I HN 0.440 nan 8.210 nan 0.000 0.553 177 T N 6.009 120.662 114.554 0.164 0.000 2.795 177 T HA 0.445 4.794 4.350 -0.001 0.000 0.282 177 T C -0.692 174.070 174.700 0.103 0.000 0.980 177 T CA -0.321 61.874 62.100 0.159 0.000 1.012 177 T CB 0.609 69.558 68.868 0.134 0.000 0.936 177 T HN 0.179 nan 8.240 nan 0.000 0.457 178 Y N 1.545 121.900 120.300 0.092 0.000 2.468 178 Y HA 0.575 5.124 4.550 -0.001 0.000 0.342 178 Y C 0.918 176.991 175.900 0.288 0.000 1.021 178 Y CA -0.823 57.386 58.100 0.183 0.000 1.079 178 Y CB 2.062 40.626 38.460 0.173 0.000 1.226 178 Y HN 0.738 nan 8.280 nan 0.000 0.460 179 T N -1.121 113.659 114.554 0.376 0.000 2.924 179 T HA 0.814 5.164 4.350 -0.001 0.000 0.291 179 T C -0.694 173.996 174.700 -0.017 0.000 1.045 179 T CA -0.827 61.395 62.100 0.204 0.000 1.015 179 T CB 1.838 70.758 68.868 0.087 0.000 1.103 179 T HN 0.584 nan 8.240 nan 0.000 0.496 180 S N -0.225 115.297 115.700 -0.295 0.000 2.537 180 S HA 0.419 4.888 4.470 -0.001 0.000 0.271 180 S C 0.117 174.589 174.600 -0.213 0.000 1.148 180 S CA -0.826 57.034 58.200 -0.566 0.000 0.868 180 S CB 1.753 63.899 63.200 -1.758 0.000 1.115 180 S HN 0.841 nan 8.310 nan 0.000 0.461 181 K N 1.035 121.350 120.400 -0.142 0.000 2.099 181 K HA 0.057 4.376 4.320 -0.001 0.000 0.203 181 K C 0.713 177.367 176.600 0.089 0.000 1.047 181 K CA 1.328 57.614 56.287 -0.001 0.000 0.963 181 K CB -0.066 32.423 32.500 -0.018 0.000 0.759 181 K HN 0.748 nan 8.250 nan 0.000 0.451 182 D N -1.055 119.343 120.400 -0.005 0.000 2.367 182 D HA -0.032 4.607 4.640 -0.001 0.000 0.207 182 D C 0.547 176.907 176.300 0.100 0.000 1.034 182 D CA -0.231 53.804 54.000 0.059 0.000 0.861 182 D CB -0.025 40.783 40.800 0.013 0.000 0.943 182 D HN 0.160 nan 8.370 nan 0.000 0.515 183 F N -0.640 119.101 119.950 -0.349 0.000 2.411 183 F HA -0.281 4.245 4.527 -0.001 0.000 0.393 183 F C 0.476 176.192 175.800 -0.139 0.000 0.576 183 F CA 0.511 58.251 58.000 -0.433 0.000 1.609 183 F CB -1.201 37.614 39.000 -0.309 0.000 2.186 183 F HN 0.040 nan 8.300 nan 0.000 0.274 184 L N -0.813 120.346 121.223 -0.107 0.000 2.453 184 L HA 0.129 4.468 4.340 -0.001 0.000 0.190 184 L C 0.943 177.794 176.870 -0.031 0.000 1.093 184 L CA 0.285 55.139 54.840 0.024 0.000 0.834 184 L CB -0.205 41.869 42.059 0.024 0.000 1.090 184 L HN -0.177 nan 8.230 nan 0.000 0.489 185 K N 0.915 121.220 120.400 -0.158 0.000 2.292 185 K HA 0.108 4.427 4.320 -0.001 0.000 0.290 185 K C -1.486 174.970 176.600 -0.239 0.000 1.083 185 K CA -0.072 56.153 56.287 -0.105 0.000 0.918 185 K CB 0.353 32.809 32.500 -0.073 0.000 1.089 185 K HN -0.013 nan 8.250 nan 0.000 0.473 186 W N 2.124 123.415 121.300 -0.014 0.000 2.520 186 W HA 0.280 4.939 4.660 -0.001 0.000 0.323 186 W C 0.170 176.798 176.519 0.182 0.000 1.062 186 W CA -0.568 56.811 57.345 0.057 0.000 1.215 186 W CB 1.144 30.591 29.460 -0.021 0.000 1.340 186 W HN 0.467 nan 8.180 nan 0.000 0.516 187 E N 2.995 123.427 120.200 0.388 0.000 2.222 187 E HA 0.260 4.609 4.350 -0.001 0.000 0.267 187 E C -0.878 175.703 176.600 -0.032 0.000 0.884 187 E CA -0.914 55.599 56.400 0.187 0.000 0.764 187 E CB 1.336 31.074 29.700 0.063 0.000 1.169 187 E HN 0.355 nan 8.360 nan 0.000 0.413 188 K N 2.255 122.445 120.400 -0.350 0.000 2.322 188 K HA 0.179 4.499 4.320 -0.001 0.000 0.283 188 K C -0.846 175.544 176.600 -0.350 0.000 1.042 188 K CA -0.220 55.567 56.287 -0.834 0.000 0.958 188 K CB 0.793 32.875 32.500 -0.698 0.000 0.984 188 K HN 0.437 nan 8.250 nan 0.000 0.473 189 S N 5.882 121.411 115.700 -0.284 0.000 2.545 189 S HA 0.109 4.578 4.470 -0.001 0.000 0.275 189 S C -1.697 172.844 174.600 -0.097 0.000 1.299 189 S CA -1.389 56.744 58.200 -0.111 0.000 1.048 189 S CB 1.274 64.458 63.200 -0.027 0.000 0.938 189 S HN 0.590 nan 8.310 nan 0.000 0.496 190 P HA -0.128 nan 4.420 nan 0.000 0.214 190 P C 0.252 177.530 177.300 -0.035 0.000 1.169 190 P CA 1.309 64.380 63.100 -0.048 0.000 0.908 190 P CB 0.179 31.864 31.700 -0.026 0.000 0.791 191 E N -0.533 119.668 120.200 0.001 0.000 2.231 191 E HA 0.259 4.608 4.350 -0.001 0.000 0.277 191 E C -2.121 174.518 176.600 0.065 0.000 0.999 191 E CA -2.211 54.206 56.400 0.030 0.000 0.827 191 E CB 0.596 30.337 29.700 0.069 0.000 1.101 191 E HN 0.153 nan 8.360 nan 0.000 0.393 192 P HA 0.082 nan 4.420 nan 0.000 0.276 192 P C 0.815 178.244 177.300 0.214 0.000 1.261 192 P CA -0.475 62.706 63.100 0.135 0.000 0.800 192 P CB 1.047 32.819 31.700 0.118 0.000 1.066 193 L N -0.053 121.304 121.223 0.224 0.000 2.131 193 L HA 0.001 4.340 4.340 -0.001 0.000 0.210 193 L C 1.028 178.130 176.870 0.387 0.000 1.092 193 L CA 1.805 56.788 54.840 0.239 0.000 0.759 193 L CB -0.692 41.411 42.059 0.073 0.000 0.903 193 L HN 0.537 nan 8.230 nan 0.000 0.435 194 H N -3.039 116.205 119.070 0.289 0.000 2.987 194 H HA 0.322 4.878 4.556 -0.001 0.000 0.316 194 H C -1.722 173.801 175.328 0.324 0.000 1.380 194 H CA -0.267 55.987 56.048 0.345 0.000 1.160 194 H CB 1.319 31.351 29.762 0.450 0.000 1.865 194 H HN -0.050 nan 8.280 nan 0.000 0.521 195 Y N 0.289 120.324 120.300 -0.442 0.000 2.689 195 Y HA 0.594 5.143 4.550 -0.001 0.000 0.333 195 Y C -1.904 173.741 175.900 -0.426 0.000 1.190 195 Y CA -0.994 56.758 58.100 -0.581 0.000 1.063 195 Y CB 1.800 40.024 38.460 -0.393 0.000 1.294 195 Y HN 0.601 nan 8.280 nan 0.000 0.466 196 D N -0.056 120.245 120.400 -0.165 0.000 2.937 196 D HA 0.227 4.867 4.640 -0.001 0.000 0.215 196 D C -2.097 174.268 176.300 0.107 0.000 1.274 196 D CA -0.413 53.616 54.000 0.048 0.000 0.869 196 D CB 1.563 42.568 40.800 0.341 0.000 1.675 196 D HN 0.609 nan 8.370 nan 0.000 0.538 197 D N 2.437 122.917 120.400 0.133 0.000 2.348 197 D HA 0.431 5.070 4.640 -0.001 0.000 0.253 197 D C 1.282 177.636 176.300 0.090 0.000 1.161 197 D CA 0.929 54.993 54.000 0.106 0.000 0.876 197 D CB 1.623 42.488 40.800 0.107 0.000 1.160 197 D HN 0.761 nan 8.370 nan 0.000 0.459 198 G N 2.036 110.884 108.800 0.079 0.000 2.234 198 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.235 198 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.235 198 G C 1.295 176.253 174.900 0.096 0.000 0.997 198 G CA 0.656 45.802 45.100 0.077 0.000 0.623 198 G HN 0.543 nan 8.290 nan 0.000 0.514 199 S N 0.411 116.196 115.700 0.141 0.000 2.402 199 S HA 0.401 4.871 4.470 -0.001 0.000 0.229 199 S C 2.187 176.905 174.600 0.196 0.000 1.021 199 S CA 1.622 59.941 58.200 0.198 0.000 0.974 199 S CB -0.160 63.294 63.200 0.424 0.000 0.800 199 S HN 2.649 nan 8.310 nan 0.000 0.484 200 G N 1.202 110.098 108.800 0.160 0.000 2.587 200 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.212 200 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.212 200 G C -0.358 174.659 174.900 0.194 0.000 1.327 200 G CA -0.251 44.935 45.100 0.144 0.000 0.898 200 G HN 0.817 nan 8.290 nan 0.000 0.551 201 M N -0.310 119.409 119.600 0.197 0.000 2.250 201 M HA 0.513 4.992 4.480 -0.001 0.000 0.337 201 M C -0.641 175.933 176.300 0.456 0.000 1.161 201 M CA -0.322 55.123 55.300 0.241 0.000 1.088 201 M CB 0.019 32.740 32.600 0.201 0.000 1.639 201 M HN 0.489 nan 8.290 nan 0.000 0.447 202 W N 5.731 127.101 121.300 0.118 0.000 2.288 202 W HA 0.408 5.068 4.660 -0.001 0.000 0.325 202 W C -0.356 176.236 176.519 0.121 0.000 1.019 202 W CA -0.696 56.720 57.345 0.119 0.000 1.403 202 W CB -0.053 29.477 29.460 0.117 0.000 1.226 202 W HN 0.628 nan 8.180 nan 0.000 0.391 203 E N 1.138 121.513 120.200 0.292 0.000 2.283 203 E HA 0.298 4.647 4.350 -0.001 0.000 0.271 203 E C 0.252 176.927 176.600 0.126 0.000 1.031 203 E CA -0.520 56.007 56.400 0.212 0.000 0.868 203 E CB 1.354 31.192 29.700 0.230 0.000 1.094 203 E HN 0.347 nan 8.360 nan 0.000 0.401 204 C N 1.996 121.371 119.300 0.125 0.000 3.727 204 C HA -0.095 4.364 4.460 -0.001 0.000 0.293 204 C C -1.952 173.102 174.990 0.106 0.000 1.339 204 C CA -0.838 58.239 59.018 0.097 0.000 2.150 204 C CB -2.717 25.048 27.740 0.041 0.000 1.383 204 C HN 0.560 nan 8.230 nan 0.000 0.614 205 P HA 0.384 nan 4.420 nan 0.000 0.269 205 P C -0.186 177.226 177.300 0.187 0.000 1.209 205 P CA 0.833 64.022 63.100 0.149 0.000 0.776 205 P CB 0.848 32.675 31.700 0.210 0.000 0.876 206 D N 1.092 121.605 120.400 0.189 0.000 2.732 206 D HA 0.585 5.225 4.640 -0.001 0.000 0.229 206 D C -1.947 174.495 176.300 0.237 0.000 1.152 206 D CA -0.452 53.720 54.000 0.287 0.000 0.854 206 D CB 1.212 42.241 40.800 0.381 0.000 1.590 206 D HN 0.125 nan 8.370 nan 0.000 0.468 207 F N 4.497 124.481 119.950 0.057 0.000 2.730 207 F HA 0.552 5.079 4.527 -0.001 0.000 0.335 207 F C -1.913 173.783 175.800 -0.173 0.000 1.212 207 F CA -0.754 57.083 58.000 -0.272 0.000 1.016 207 F CB 0.663 39.420 39.000 -0.405 0.000 1.290 207 F HN 0.247 nan 8.300 nan 0.000 0.495 208 F N 5.228 124.767 119.950 -0.686 0.000 2.654 208 F HA 0.866 5.393 4.527 -0.001 0.000 0.308 208 F C -3.231 172.101 175.800 -0.780 0.000 1.108 208 F CA -2.703 54.959 58.000 -0.563 0.000 0.957 208 F CB 1.259 40.113 39.000 -0.243 0.000 1.309 208 F HN 0.118 nan 8.300 nan 0.000 0.446 209 P HA 0.489 nan 4.420 nan 0.000 0.279 209 P C -1.158 176.007 177.300 -0.226 0.000 1.252 209 P CA -0.438 62.170 63.100 -0.819 0.000 0.811 209 P CB 2.157 33.441 31.700 -0.694 0.000 1.035 210 V N -2.320 117.479 119.914 -0.191 0.000 2.888 210 V HA 0.556 4.676 4.120 -0.001 0.000 0.309 210 V C -0.132 175.960 176.094 -0.003 0.000 1.114 210 V CA -0.739 61.554 62.300 -0.012 0.000 0.940 210 V CB 1.307 33.167 31.823 0.063 0.000 1.021 210 V HN 0.577 nan 8.190 nan 0.000 0.426 211 T N 1.793 116.372 114.554 0.042 0.000 2.918 211 T HA 0.295 4.644 4.350 -0.001 0.000 0.302 211 T C 0.998 175.756 174.700 0.097 0.000 1.045 211 T CA 0.372 62.511 62.100 0.065 0.000 1.114 211 T CB 1.073 69.985 68.868 0.072 0.000 0.965 211 T HN 0.991 nan 8.240 nan 0.000 0.540 212 R N 2.991 123.563 120.500 0.121 0.000 2.066 212 R HA 0.159 4.498 4.340 -0.001 0.000 0.232 212 R C -0.042 176.387 176.300 0.215 0.000 1.131 212 R CA 1.381 57.574 56.100 0.154 0.000 0.955 212 R CB -0.364 30.030 30.300 0.157 0.000 0.851 212 R HN 0.584 nan 8.270 nan 0.000 0.432 213 F N 0.048 120.040 119.950 0.070 0.000 2.499 213 F HA 0.579 5.106 4.527 -0.002 0.000 0.333 213 F C -0.298 175.534 175.800 0.052 0.000 1.138 213 F CA 0.532 58.574 58.000 0.070 0.000 0.945 213 F CB 1.937 40.968 39.000 0.052 0.000 1.181 213 F HN 0.349 nan 8.300 nan 0.000 0.435 214 G N 2.345 111.101 108.800 -0.073 0.000 2.333 214 G HA2 0.242 4.201 3.960 -0.001 0.000 0.330 214 G HA3 0.242 4.201 3.960 -0.001 0.000 0.330 214 G C -0.407 174.414 174.900 -0.131 0.000 1.465 214 G CA -0.239 44.828 45.100 -0.056 0.000 0.996 214 G HN 1.012 nan 8.290 nan 0.000 0.655 215 S N -0.682 114.826 115.700 -0.321 0.000 2.540 215 S HA 0.256 4.726 4.470 -0.001 0.000 0.222 215 S C 0.607 175.000 174.600 -0.345 0.000 1.008 215 S CA 0.089 57.876 58.200 -0.688 0.000 0.939 215 S CB 0.143 62.509 63.200 -1.390 0.000 0.865 215 S HN 0.561 nan 8.310 nan 0.000 0.499 216 N N 2.355 120.958 118.700 -0.163 0.000 2.444 216 N HA 0.500 5.240 4.740 -0.001 0.000 0.255 216 N C 0.335 175.869 175.510 0.041 0.000 1.255 216 N CA 0.477 53.489 53.050 -0.063 0.000 0.933 216 N CB 0.364 38.839 38.487 -0.020 0.000 1.143 216 N HN 0.439 nan 8.380 nan 0.000 0.453 217 G N -0.812 108.052 108.800 0.106 0.000 2.507 217 G HA2 0.452 4.411 3.960 -0.001 0.000 0.271 217 G HA3 0.452 4.411 3.960 -0.001 0.000 0.271 217 G C -0.642 174.415 174.900 0.261 0.000 1.189 217 G CA -0.389 44.841 45.100 0.217 0.000 0.859 217 G HN 0.316 nan 8.290 nan 0.000 0.542 218 V N 1.401 121.357 119.914 0.071 0.000 2.459 218 V HA 0.278 4.397 4.120 -0.001 0.000 0.295 218 V C 0.321 176.079 176.094 -0.561 0.000 1.029 218 V CA -1.075 61.127 62.300 -0.162 0.000 0.874 218 V CB 1.629 33.379 31.823 -0.122 0.000 0.985 218 V HN 0.761 nan 8.190 nan 0.000 0.438 219 E N 2.199 121.828 120.200 -0.953 0.000 2.452 219 E HA 0.009 4.358 4.350 -0.001 0.000 0.261 219 E C 1.043 177.397 176.600 -0.410 0.000 0.987 219 E CA 0.313 56.082 56.400 -1.052 0.000 0.926 219 E CB 1.391 30.673 29.700 -0.697 0.000 0.934 219 E HN 0.807 nan 8.360 nan 0.000 0.452 220 T N 2.180 116.612 114.554 -0.203 0.000 2.803 220 T HA -0.103 4.247 4.350 -0.001 0.000 0.269 220 T C 1.449 176.158 174.700 0.015 0.000 1.052 220 T CA 1.463 63.554 62.100 -0.016 0.000 1.136 220 T CB 0.087 69.074 68.868 0.199 0.000 0.864 220 T HN 0.270 nan 8.240 nan 0.000 0.467 221 S N 0.890 116.603 115.700 0.022 0.000 2.575 221 S HA 0.215 4.684 4.470 -0.001 0.000 0.215 221 S C 0.919 175.303 174.600 -0.361 0.000 0.966 221 S CA -0.333 57.839 58.200 -0.047 0.000 0.911 221 S CB 0.072 63.297 63.200 0.043 0.000 0.780 221 S HN 0.390 nan 8.310 nan 0.000 0.514 222 S N 1.396 116.934 115.700 -0.269 0.000 2.549 222 S HA 0.418 4.887 4.470 -0.001 0.000 0.283 222 S C -0.315 174.116 174.600 -0.282 0.000 1.320 222 S CA -0.371 57.692 58.200 -0.228 0.000 1.058 222 S CB -0.044 63.070 63.200 -0.143 0.000 0.882 222 S HN 0.193 nan 8.310 nan 0.000 0.498 223 F N 1.748 121.744 119.950 0.077 0.000 2.408 223 F HA 0.518 5.044 4.527 -0.001 0.000 0.325 223 F C 1.313 177.158 175.800 0.075 0.000 1.082 223 F CA -0.605 57.452 58.000 0.095 0.000 1.032 223 F CB 0.724 39.772 39.000 0.080 0.000 1.259 223 F HN 0.627 nan 8.300 nan 0.000 0.503 224 G N 1.244 110.221 108.800 0.296 0.000 2.448 224 G HA2 0.410 4.369 3.960 -0.001 0.000 0.309 224 G HA3 0.410 4.369 3.960 -0.001 0.000 0.309 224 G C -0.557 174.435 174.900 0.153 0.000 1.027 224 G CA -0.456 44.754 45.100 0.183 0.000 1.104 224 G HN 0.581 nan 8.290 nan 0.000 0.428 225 E N 3.075 123.348 120.200 0.122 0.000 2.410 225 E HA 0.140 4.490 4.350 -0.001 0.000 0.255 225 E C -1.526 175.113 176.600 0.065 0.000 1.194 225 E CA -1.156 55.296 56.400 0.087 0.000 0.955 225 E CB 0.735 30.479 29.700 0.074 0.000 0.988 225 E HN 0.202 nan 8.360 nan 0.000 0.461 226 P HA -0.078 nan 4.420 nan 0.000 0.244 226 P C -0.243 177.079 177.300 0.035 0.000 1.211 226 P CA 0.825 63.947 63.100 0.036 0.000 0.760 226 P CB 0.055 31.769 31.700 0.024 0.000 0.961 227 N N -1.976 116.749 118.700 0.042 0.000 2.612 227 N HA 0.016 4.755 4.740 -0.001 0.000 0.224 227 N C 0.494 176.033 175.510 0.049 0.000 1.051 227 N CA 0.260 53.333 53.050 0.039 0.000 0.889 227 N CB -0.147 38.360 38.487 0.034 0.000 1.449 227 N HN -0.030 nan 8.380 nan 0.000 0.442 228 E N 1.282 121.518 120.200 0.060 0.000 2.290 228 E HA 0.266 4.615 4.350 -0.001 0.000 0.277 228 E C -0.548 176.100 176.600 0.079 0.000 1.035 228 E CA -0.228 56.214 56.400 0.070 0.000 0.873 228 E CB 1.193 30.937 29.700 0.072 0.000 1.029 228 E HN 0.298 nan 8.360 nan 0.000 0.419 229 I N 6.005 126.625 120.570 0.082 0.000 2.328 229 I HA 0.222 4.391 4.170 -0.001 0.000 0.287 229 I C -0.184 175.988 176.117 0.091 0.000 1.012 229 I CA -0.426 60.928 61.300 0.089 0.000 1.195 229 I CB 0.683 38.737 38.000 0.090 0.000 1.350 229 I HN 0.206 nan 8.210 nan 0.000 0.464 230 L N 6.859 128.138 121.223 0.094 0.000 2.329 230 L HA 0.549 4.888 4.340 -0.001 0.000 0.279 230 L C -0.070 176.858 176.870 0.096 0.000 1.014 230 L CA -1.023 53.859 54.840 0.069 0.000 0.814 230 L CB 1.321 43.408 42.059 0.047 0.000 1.257 230 L HN 0.436 nan 8.230 nan 0.000 0.424 231 K N 0.766 121.200 120.400 0.056 0.000 2.132 231 K HA 0.546 4.865 4.320 -0.001 0.000 0.241 231 K C -0.885 175.704 176.600 -0.018 0.000 1.000 231 K CA -0.880 55.455 56.287 0.079 0.000 0.911 231 K CB 1.506 34.042 32.500 0.060 0.000 1.093 231 K HN 0.424 nan 8.250 nan 0.000 0.460 232 H N -1.098 117.945 119.070 -0.045 0.000 2.621 232 H HA 0.457 5.013 4.556 -0.001 0.000 0.360 232 H C -0.938 174.210 175.328 -0.299 0.000 1.163 232 H CA -0.606 55.285 56.048 -0.262 0.000 1.194 232 H CB 1.654 31.241 29.762 -0.292 0.000 1.649 232 H HN 0.054 nan 8.280 nan 0.000 0.532 233 V N 3.610 123.099 119.914 -0.708 0.000 2.409 233 V HA 0.197 4.316 4.120 -0.001 0.000 0.291 233 V C -0.796 174.721 176.094 -0.961 0.000 1.020 233 V CA -0.759 61.057 62.300 -0.806 0.000 0.848 233 V CB 1.529 32.663 31.823 -1.148 0.000 0.990 233 V HN 0.427 nan 8.190 nan 0.000 0.430 234 L N 5.927 126.685 121.223 -0.775 0.000 2.282 234 L HA 0.617 4.957 4.340 -0.001 0.000 0.288 234 L C -0.246 176.426 176.870 -0.331 0.000 1.033 234 L CA 0.199 54.688 54.840 -0.585 0.000 0.807 234 L CB 1.020 42.545 42.059 -0.889 0.000 1.209 234 L HN 0.606 nan 8.230 nan 0.000 0.423 235 K N 6.918 127.208 120.400 -0.184 0.000 2.270 235 K HA 0.584 4.904 4.320 -0.001 0.000 0.255 235 K C -1.433 175.095 176.600 -0.121 0.000 0.936 235 K CA -0.628 55.602 56.287 -0.095 0.000 0.809 235 K CB 1.542 34.094 32.500 0.087 0.000 1.131 235 K HN 0.775 nan 8.250 nan 0.000 0.427 236 I N -0.404 120.052 120.570 -0.190 0.000 2.619 236 I HA 0.383 4.552 4.170 -0.001 0.000 0.292 236 I C -0.672 175.382 176.117 -0.106 0.000 1.100 236 I CA -0.730 60.435 61.300 -0.226 0.000 1.043 236 I CB 2.344 39.940 38.000 -0.673 0.000 1.239 236 I HN 0.250 nan 8.210 nan 0.000 0.420 237 S N 6.395 122.033 115.700 -0.104 0.000 2.452 237 S HA 0.556 5.026 4.470 -0.001 0.000 0.284 237 S C -0.230 174.409 174.600 0.064 0.000 1.171 237 S CA -0.571 57.504 58.200 -0.207 0.000 1.064 237 S CB 0.845 63.624 63.200 -0.701 0.000 0.967 237 S HN 0.434 nan 8.310 nan 0.000 0.484 238 L N 3.344 124.726 121.223 0.265 0.000 2.257 238 L HA 0.263 4.602 4.340 -0.001 0.000 0.290 238 L C 1.093 178.182 176.870 0.365 0.000 1.044 238 L CA -0.621 54.405 54.840 0.311 0.000 0.810 238 L CB 0.875 43.086 42.059 0.254 0.000 1.193 238 L HN 0.561 nan 8.230 nan 0.000 0.425 239 D N 1.643 122.227 120.400 0.307 0.000 2.191 239 D HA -0.284 4.355 4.640 -0.001 0.000 0.190 239 D C 1.468 177.828 176.300 0.101 0.000 1.007 239 D CA 1.919 56.032 54.000 0.189 0.000 0.865 239 D CB 0.267 41.160 40.800 0.154 0.000 0.929 239 D HN 0.691 nan 8.370 nan 0.000 0.447 240 D N -1.356 119.114 120.400 0.117 0.000 2.078 240 D HA -0.115 4.525 4.640 -0.001 0.000 0.193 240 D C 1.893 178.212 176.300 0.032 0.000 0.990 240 D CA 2.590 56.633 54.000 0.072 0.000 0.827 240 D CB -0.172 40.680 40.800 0.087 0.000 0.975 240 D HN 0.341 nan 8.370 nan 0.000 0.451 241 T N -3.419 111.167 114.554 0.053 0.000 3.060 241 T HA 0.130 4.480 4.350 -0.001 0.000 0.249 241 T C 0.537 175.002 174.700 -0.392 0.000 1.079 241 T CA -0.122 61.950 62.100 -0.045 0.000 1.013 241 T CB 0.160 69.146 68.868 0.196 0.000 0.975 241 T HN 0.022 nan 8.240 nan 0.000 0.518 242 K N 0.881 121.156 120.400 -0.209 0.000 3.129 242 K HA -0.164 4.155 4.320 -0.001 0.000 0.273 242 K C -0.644 175.838 176.600 -0.197 0.000 1.123 242 K CA 0.888 56.973 56.287 -0.336 0.000 0.800 242 K CB -2.874 29.359 32.500 -0.444 0.000 1.238 242 K HN 0.802 nan 8.250 nan 0.000 0.492 243 H N -0.824 118.451 119.070 0.342 0.000 2.864 243 H HA 0.530 5.085 4.556 -0.001 0.000 0.354 243 H C -0.673 174.637 175.328 -0.030 0.000 1.208 243 H CA -1.179 54.922 56.048 0.088 0.000 1.191 243 H CB 1.503 31.117 29.762 -0.246 0.000 1.889 243 H HN -0.153 nan 8.280 nan 0.000 0.574 244 D N 0.530 120.828 120.400 -0.170 0.000 2.278 244 D HA 0.253 4.892 4.640 -0.001 0.000 0.245 244 D C -1.107 174.870 176.300 -0.539 0.000 1.052 244 D CA -0.238 53.632 54.000 -0.218 0.000 0.834 244 D CB 1.038 41.840 40.800 0.003 0.000 1.194 244 D HN 0.289 nan 8.370 nan 0.000 0.481 245 Y N 1.175 121.361 120.300 -0.191 0.000 2.524 245 Y HA 0.525 5.074 4.550 -0.001 0.000 0.344 245 Y C -0.375 175.354 175.900 -0.286 0.000 1.012 245 Y CA -1.225 56.716 58.100 -0.266 0.000 1.068 245 Y CB 1.541 39.877 38.460 -0.206 0.000 1.249 245 Y HN 0.318 nan 8.280 nan 0.000 0.468 246 Y N -1.360 118.807 120.300 -0.222 0.000 2.562 246 Y HA 0.845 5.394 4.550 -0.001 0.000 0.345 246 Y C -1.036 174.739 175.900 -0.207 0.000 1.045 246 Y CA -1.398 56.530 58.100 -0.287 0.000 1.028 246 Y CB 1.497 39.699 38.460 -0.430 0.000 1.297 246 Y HN 0.574 nan 8.280 nan 0.000 0.463 247 T N 0.979 115.464 114.554 -0.115 0.000 2.893 247 T HA 0.754 5.103 4.350 -0.001 0.000 0.291 247 T C -0.883 173.616 174.700 -0.336 0.000 1.028 247 T CA -0.704 61.166 62.100 -0.384 0.000 0.995 247 T CB 1.707 70.481 68.868 -0.156 0.000 1.051 247 T HN 0.720 nan 8.240 nan 0.000 0.470 248 I N 1.708 121.753 120.570 -0.874 0.000 2.359 248 I HA 0.705 4.874 4.170 -0.001 0.000 0.294 248 I C 0.867 176.859 176.117 -0.209 0.000 0.987 248 I CA -0.144 60.941 61.300 -0.358 0.000 1.225 248 I CB 1.420 39.279 38.000 -0.235 0.000 1.366 248 I HN 1.074 nan 8.210 nan 0.000 0.466 249 G N 3.158 111.983 108.800 0.042 0.000 2.634 249 G HA2 0.624 4.583 3.960 -0.001 0.000 0.309 249 G HA3 0.624 4.583 3.960 -0.001 0.000 0.309 249 G C -1.127 173.749 174.900 -0.040 0.000 1.299 249 G CA -0.402 44.588 45.100 -0.183 0.000 0.798 249 G HN 0.512 nan 8.290 nan 0.000 0.490 250 T N -2.676 111.769 114.554 -0.182 0.000 2.912 250 T HA 0.582 4.932 4.350 -0.001 0.000 0.288 250 T C -1.398 173.364 174.700 0.104 0.000 1.030 250 T CA -0.642 61.480 62.100 0.036 0.000 1.020 250 T CB 2.147 71.033 68.868 0.031 0.000 1.056 250 T HN 0.796 nan 8.240 nan 0.000 0.480 251 Y N 2.111 122.423 120.300 0.020 0.000 2.593 251 Y HA 0.350 4.899 4.550 -0.001 0.000 0.331 251 Y C -0.217 175.712 175.900 0.049 0.000 0.986 251 Y CA -2.047 56.074 58.100 0.035 0.000 1.262 251 Y CB 0.168 38.423 38.460 -0.342 0.000 1.098 251 Y HN 0.787 nan 8.280 nan 0.000 0.506 252 D N 5.774 126.210 120.400 0.061 0.000 2.357 252 D HA 0.040 4.679 4.640 -0.001 0.000 0.265 252 D C 0.932 177.082 176.300 -0.250 0.000 1.334 252 D CA 0.296 54.258 54.000 -0.063 0.000 0.984 252 D CB 0.622 41.439 40.800 0.028 0.000 1.077 252 D HN 0.693 nan 8.370 nan 0.000 0.514 253 R N 2.505 122.784 120.500 -0.368 0.000 2.189 253 R HA -0.042 4.297 4.340 -0.001 0.000 0.218 253 R C 1.815 178.045 176.300 -0.117 0.000 1.074 253 R CA 0.413 56.285 56.100 -0.380 0.000 0.991 253 R CB 0.042 30.204 30.300 -0.230 0.000 0.883 253 R HN 0.330 nan 8.270 nan 0.000 0.457 254 V N 1.542 121.418 119.914 -0.063 0.000 2.244 254 V HA -0.223 3.896 4.120 -0.001 0.000 0.244 254 V C 2.118 178.221 176.094 0.016 0.000 1.042 254 V CA 1.729 64.022 62.300 -0.012 0.000 1.006 254 V CB -0.322 31.498 31.823 -0.004 0.000 0.641 254 V HN 0.254 nan 8.190 nan 0.000 0.446 255 K N -0.935 119.482 120.400 0.027 0.000 2.296 255 K HA -0.081 4.238 4.320 -0.001 0.000 0.200 255 K C 0.723 177.387 176.600 0.108 0.000 1.048 255 K CA 0.817 57.144 56.287 0.067 0.000 0.966 255 K CB -0.047 32.502 32.500 0.081 0.000 0.754 255 K HN 0.403 nan 8.250 nan 0.000 0.466 256 D N 0.688 121.154 120.400 0.109 0.000 2.835 256 D HA -0.138 4.501 4.640 -0.001 0.000 0.230 256 D C -1.098 175.420 176.300 0.364 0.000 1.130 256 D CA 1.108 55.258 54.000 0.250 0.000 0.738 256 D CB -0.761 40.179 40.800 0.235 0.000 1.090 256 D HN 0.176 nan 8.370 nan 0.000 0.433 257 K N -0.228 120.369 120.400 0.329 0.000 2.385 257 K HA 0.536 4.855 4.320 -0.001 0.000 0.248 257 K C -0.611 176.237 176.600 0.414 0.000 0.955 257 K CA -0.963 55.529 56.287 0.341 0.000 0.816 257 K CB 1.545 34.194 32.500 0.248 0.000 1.250 257 K HN 0.008 nan 8.250 nan 0.000 0.434 258 F N 2.104 122.179 119.950 0.209 0.000 2.415 258 F HA 0.368 4.894 4.527 -0.001 0.000 0.348 258 F C -0.812 174.998 175.800 0.018 0.000 1.119 258 F CA -0.678 57.404 58.000 0.137 0.000 1.069 258 F CB 1.030 40.064 39.000 0.056 0.000 1.124 258 F HN 0.076 nan 8.300 nan 0.000 0.472 259 V N 8.144 127.636 119.914 -0.702 0.000 2.304 259 V HA 0.325 4.444 4.120 -0.001 0.000 0.278 259 V C -2.229 173.360 176.094 -0.841 0.000 1.018 259 V CA -1.950 60.020 62.300 -0.550 0.000 0.814 259 V CB 0.854 32.543 31.823 -0.223 0.000 1.021 259 V HN 0.643 nan 8.190 nan 0.000 0.440 260 P HA 0.103 nan 4.420 nan 0.000 0.267 260 P C -0.351 176.897 177.300 -0.086 0.000 1.200 260 P CA -0.085 62.786 63.100 -0.381 0.000 0.772 260 P CB 0.492 32.160 31.700 -0.053 0.000 0.855 261 D N 1.296 121.754 120.400 0.095 0.000 2.423 261 D HA -0.037 4.603 4.640 -0.001 0.000 0.238 261 D C 0.742 177.181 176.300 0.232 0.000 1.142 261 D CA 0.231 54.354 54.000 0.205 0.000 0.884 261 D CB 0.005 40.996 40.800 0.319 0.000 1.199 261 D HN 0.356 nan 8.370 nan 0.000 0.438 262 N N 0.688 119.448 118.700 0.100 0.000 2.217 262 N HA -0.095 4.644 4.740 -0.001 0.000 0.268 262 N C 1.055 176.550 175.510 -0.025 0.000 1.290 262 N CA 1.149 54.224 53.050 0.041 0.000 0.831 262 N CB 0.271 38.770 38.487 0.020 0.000 1.057 262 N HN 0.643 nan 8.380 nan 0.000 0.481 263 G N 2.989 111.752 108.800 -0.061 0.000 2.232 263 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.226 263 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.226 263 G C -0.104 174.638 174.900 -0.264 0.000 0.996 263 G CA -0.352 44.629 45.100 -0.198 0.000 0.626 263 G HN 0.553 nan 8.290 nan 0.000 0.509 264 F N 1.339 121.299 119.950 0.016 0.000 2.404 264 F HA 0.698 5.224 4.527 -0.001 0.000 0.339 264 F C 0.534 176.355 175.800 0.035 0.000 1.105 264 F CA -0.459 57.553 58.000 0.021 0.000 1.087 264 F CB 1.893 40.909 39.000 0.026 0.000 1.143 264 F HN 0.018 nan 8.300 nan 0.000 0.491 265 K N 3.309 123.862 120.400 0.254 0.000 2.443 265 K HA 0.432 4.751 4.320 -0.001 0.000 0.252 265 K C -0.994 175.715 176.600 0.183 0.000 0.933 265 K CA -1.018 55.386 56.287 0.195 0.000 0.792 265 K CB 1.586 34.161 32.500 0.125 0.000 1.185 265 K HN 0.583 nan 8.250 nan 0.000 0.425 266 M N 5.304 125.046 119.600 0.237 0.000 3.237 266 M HA 0.132 4.611 4.480 -0.001 0.000 0.266 266 M C -1.278 175.074 176.300 0.086 0.000 1.456 266 M CA 0.308 55.699 55.300 0.151 0.000 1.593 266 M CB -0.847 31.914 32.600 0.269 0.000 1.129 266 M HN 0.691 nan 8.290 nan 0.000 0.547 267 D N -0.114 120.262 120.400 -0.041 0.000 3.557 267 D HA 0.358 4.997 4.640 -0.001 0.000 0.331 267 D C 0.882 176.903 176.300 -0.465 0.000 1.442 267 D CA -0.086 53.827 54.000 -0.145 0.000 0.971 267 D CB -0.324 40.481 40.800 0.007 0.000 1.423 267 D HN 0.126 nan 8.370 nan 0.000 0.604 268 G N -1.059 107.483 108.800 -0.430 0.000 2.509 268 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.218 268 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.218 268 G C 1.194 176.017 174.900 -0.128 0.000 1.124 268 G CA 1.626 46.415 45.100 -0.518 0.000 0.776 268 G HN 0.687 nan 8.290 nan 0.000 0.547 269 T N -1.933 112.592 114.554 -0.048 0.000 3.100 269 T HA 0.571 4.920 4.350 -0.001 0.000 0.253 269 T C 1.251 176.008 174.700 0.096 0.000 1.118 269 T CA 0.459 62.592 62.100 0.056 0.000 1.058 269 T CB 0.201 69.095 68.868 0.045 0.000 0.953 269 T HN 0.326 nan 8.240 nan 0.000 0.515 270 A N 3.091 125.967 122.820 0.093 0.000 2.346 270 A HA 0.608 4.928 4.320 -0.001 0.000 0.252 270 A C -2.005 175.658 177.584 0.131 0.000 1.089 270 A CA -1.578 50.538 52.037 0.132 0.000 0.797 270 A CB -0.030 19.018 19.000 0.080 0.000 1.047 270 A HN 0.333 nan 8.150 nan 0.000 0.494 271 P HA 0.345 nan 4.420 nan 0.000 0.274 271 P C -0.857 176.137 177.300 -0.509 0.000 1.246 271 P CA -0.136 62.849 63.100 -0.191 0.000 0.795 271 P CB 0.638 32.162 31.700 -0.293 0.000 1.006 272 R N -0.130 120.053 120.500 -0.528 0.000 2.803 272 R HA 0.353 4.692 4.340 -0.001 0.000 0.276 272 R C 0.954 177.097 176.300 -0.262 0.000 0.978 272 R CA -0.611 55.071 56.100 -0.696 0.000 0.939 272 R CB 0.534 30.090 30.300 -1.240 0.000 1.179 272 R HN 0.351 nan 8.270 nan 0.000 0.472 273 Y N 0.122 120.382 120.300 -0.067 0.000 2.114 273 Y HA -0.119 4.431 4.550 -0.001 0.000 0.284 273 Y C 0.902 176.602 175.900 -0.333 0.000 1.143 273 Y CA 1.285 59.321 58.100 -0.106 0.000 1.135 273 Y CB 0.166 38.526 38.460 -0.166 0.000 0.980 273 Y HN 0.457 nan 8.280 nan 0.000 0.499 274 D N -2.152 118.019 120.400 -0.381 0.000 2.780 274 D HA 0.115 4.754 4.640 -0.001 0.000 0.242 274 D C -1.145 174.829 176.300 -0.544 0.000 1.135 274 D CA -0.592 53.123 54.000 -0.474 0.000 0.859 274 D CB 1.118 41.443 40.800 -0.792 0.000 1.530 274 D HN 0.052 nan 8.370 nan 0.000 0.493 275 Y N 1.318 121.422 120.300 -0.327 0.000 2.532 275 Y HA 0.309 4.858 4.550 -0.001 0.000 0.283 275 Y C 1.333 176.928 175.900 -0.508 0.000 1.181 275 Y CA -0.184 57.702 58.100 -0.358 0.000 1.256 275 Y CB 1.306 39.612 38.460 -0.258 0.000 1.112 275 Y HN 0.433 nan 8.280 nan 0.000 0.521 276 G N -0.238 108.224 108.800 -0.563 0.000 3.407 276 G HA2 0.229 4.188 3.960 -0.001 0.000 0.187 276 G HA3 0.229 4.188 3.960 -0.001 0.000 0.187 276 G C -0.961 173.478 174.900 -0.768 0.000 1.262 276 G CA -0.648 43.714 45.100 -1.230 0.000 0.808 276 G HN -0.097 nan 8.290 nan 0.000 0.687 277 K N 0.046 120.133 120.400 -0.521 0.000 2.266 277 K HA 0.561 4.880 4.320 -0.001 0.000 0.274 277 K C -2.074 174.498 176.600 -0.045 0.000 1.090 277 K CA -0.496 55.669 56.287 -0.204 0.000 0.925 277 K CB -0.147 32.286 32.500 -0.112 0.000 1.225 277 K HN 0.391 nan 8.250 nan 0.000 0.458 278 Y N 3.686 123.877 120.300 -0.182 0.000 2.314 278 Y HA 0.318 4.867 4.550 -0.001 0.000 0.317 278 Y C -2.164 173.754 175.900 0.029 0.000 1.234 278 Y CA -0.841 57.200 58.100 -0.099 0.000 1.111 278 Y CB 0.853 39.253 38.460 -0.099 0.000 1.283 278 Y HN 0.590 nan 8.280 nan 0.000 0.418 279 Y N 3.471 123.561 120.300 -0.350 0.000 2.638 279 Y HA 0.584 5.133 4.550 -0.001 0.000 0.335 279 Y C 0.220 176.139 175.900 0.031 0.000 1.155 279 Y CA -0.383 57.641 58.100 -0.127 0.000 1.046 279 Y CB 2.195 40.537 38.460 -0.198 0.000 1.303 279 Y HN 0.902 nan 8.280 nan 0.000 0.460 280 A N 1.617 124.254 122.820 -0.304 0.000 2.832 280 A HA -0.170 4.149 4.320 -0.001 0.000 0.280 280 A C 0.187 177.785 177.584 0.023 0.000 1.464 280 A CA 0.963 52.976 52.037 -0.039 0.000 0.804 280 A CB -2.519 16.682 19.000 0.335 0.000 1.020 280 A HN 1.402 nan 8.150 nan 0.000 0.563 281 S N -0.949 114.751 115.700 -0.000 0.000 2.585 281 S HA 0.618 5.088 4.470 -0.001 0.000 0.273 281 S C -0.213 174.488 174.600 0.167 0.000 1.339 281 S CA 0.368 58.616 58.200 0.081 0.000 1.028 281 S CB 1.730 65.047 63.200 0.195 0.000 0.906 281 S HN 0.978 nan 8.310 nan 0.000 0.528 282 K N 0.850 121.362 120.400 0.187 0.000 2.535 282 K HA 0.413 4.732 4.320 -0.001 0.000 0.251 282 K C -0.627 176.114 176.600 0.234 0.000 0.942 282 K CA -0.447 55.968 56.287 0.214 0.000 0.798 282 K CB 1.890 34.501 32.500 0.185 0.000 1.267 282 K HN 0.929 nan 8.250 nan 0.000 0.434 283 T N 0.174 114.825 114.554 0.162 0.000 2.927 283 T HA 0.722 5.071 4.350 -0.001 0.000 0.281 283 T C -0.192 174.689 174.700 0.300 0.000 0.998 283 T CA -0.632 61.510 62.100 0.070 0.000 1.019 283 T CB 0.512 69.152 68.868 -0.379 0.000 1.061 283 T HN 0.474 nan 8.240 nan 0.000 0.518 284 F N -0.859 119.135 119.950 0.073 0.000 2.662 284 F HA 0.736 5.263 4.527 -0.001 0.000 0.312 284 F C -1.598 174.309 175.800 0.179 0.000 1.113 284 F CA -2.074 56.029 58.000 0.172 0.000 0.951 284 F CB 1.309 40.464 39.000 0.258 0.000 1.344 284 F HN 0.589 nan 8.300 nan 0.000 0.462 285 F N 2.989 122.926 119.950 -0.022 0.000 2.390 285 F HA 0.312 4.839 4.527 -0.001 0.000 0.361 285 F C 0.083 175.822 175.800 -0.103 0.000 1.124 285 F CA -0.735 57.190 58.000 -0.126 0.000 1.149 285 F CB 0.243 39.266 39.000 0.038 0.000 1.160 285 F HN 0.593 nan 8.300 nan 0.000 0.501 286 D N 3.813 123.729 120.400 -0.808 0.000 2.435 286 D HA 0.041 4.680 4.640 -0.001 0.000 0.230 286 D C 1.095 176.953 176.300 -0.736 0.000 1.215 286 D CA 0.214 53.925 54.000 -0.481 0.000 0.947 286 D CB 0.614 41.221 40.800 -0.321 0.000 1.048 286 D HN 0.536 nan 8.370 nan 0.000 0.512 287 S N 2.298 117.657 115.700 -0.568 0.000 2.474 287 S HA -0.115 4.354 4.470 -0.001 0.000 0.235 287 S C 1.913 176.409 174.600 -0.174 0.000 0.997 287 S CA 0.493 58.446 58.200 -0.412 0.000 0.949 287 S CB -0.013 63.215 63.200 0.046 0.000 0.766 287 S HN 0.410 nan 8.310 nan 0.000 0.517 288 A N 1.978 124.725 122.820 -0.121 0.000 1.929 288 A HA 0.153 4.472 4.320 -0.001 0.000 0.216 288 A C 1.924 179.469 177.584 -0.065 0.000 1.176 288 A CA 0.925 52.921 52.037 -0.068 0.000 0.628 288 A CB -0.154 18.809 19.000 -0.060 0.000 0.816 288 A HN 0.546 nan 8.150 nan 0.000 0.444 289 K N -1.179 119.165 120.400 -0.094 0.000 2.536 289 K HA 0.187 4.506 4.320 -0.001 0.000 0.203 289 K C -0.674 175.842 176.600 -0.140 0.000 1.063 289 K CA -0.298 55.934 56.287 -0.091 0.000 1.063 289 K CB 0.332 32.796 32.500 -0.060 0.000 0.843 289 K HN 0.368 nan 8.250 nan 0.000 0.521 290 N N 3.033 121.607 118.700 -0.210 0.000 2.614 290 N HA -0.220 4.519 4.740 -0.001 0.000 0.276 290 N C -1.488 173.926 175.510 -0.161 0.000 1.119 290 N CA 0.952 53.891 53.050 -0.185 0.000 0.742 290 N CB -0.435 38.045 38.487 -0.011 0.000 0.900 290 N HN 0.440 nan 8.380 nan 0.000 0.549 291 R N -0.740 119.584 120.500 -0.293 0.000 2.594 291 R HA 0.476 4.816 4.340 -0.001 0.000 0.265 291 R C -1.031 175.120 176.300 -0.249 0.000 1.070 291 R CA -1.108 54.879 56.100 -0.188 0.000 0.909 291 R CB 1.284 31.470 30.300 -0.191 0.000 1.243 291 R HN 0.172 nan 8.270 nan 0.000 0.455 292 R N 2.393 122.821 120.500 -0.121 0.000 2.390 292 R HA 0.468 4.808 4.340 -0.001 0.000 0.291 292 R C -0.639 175.472 176.300 -0.314 0.000 1.070 292 R CA -0.168 55.800 56.100 -0.220 0.000 1.014 292 R CB 0.805 30.976 30.300 -0.215 0.000 1.007 292 R HN 0.643 nan 8.270 nan 0.000 0.466 293 I N 5.097 125.388 120.570 -0.464 0.000 2.498 293 I HA 0.260 4.429 4.170 -0.001 0.000 0.290 293 I C -1.262 174.705 176.117 -0.249 0.000 1.032 293 I CA -1.195 59.867 61.300 -0.397 0.000 1.073 293 I CB 2.058 39.751 38.000 -0.513 0.000 1.251 293 I HN 0.478 nan 8.210 nan 0.000 0.426 294 L N 6.399 127.466 121.223 -0.261 0.000 2.305 294 L HA 0.512 4.851 4.340 -0.001 0.000 0.284 294 L C -1.539 175.225 176.870 -0.176 0.000 1.013 294 L CA 0.011 54.735 54.840 -0.193 0.000 0.819 294 L CB 1.034 42.893 42.059 -0.334 0.000 1.227 294 L HN 0.429 nan 8.230 nan 0.000 0.417 295 W N 3.883 125.199 121.300 0.027 0.000 2.438 295 W HA 0.725 5.385 4.660 -0.001 0.000 0.324 295 W C 0.429 176.920 176.519 -0.047 0.000 1.119 295 W CA -0.371 56.976 57.345 0.004 0.000 1.221 295 W CB 2.166 31.608 29.460 -0.031 0.000 1.253 295 W HN 0.737 nan 8.180 nan 0.000 0.555 296 G N 2.041 110.946 108.800 0.174 0.000 2.701 296 G HA2 0.398 4.357 3.960 -0.001 0.000 0.300 296 G HA3 0.398 4.357 3.960 -0.001 0.000 0.300 296 G C -2.509 172.307 174.900 -0.139 0.000 1.410 296 G CA -0.852 44.040 45.100 -0.347 0.000 1.014 296 G HN 0.459 nan 8.290 nan 0.000 0.509 297 W N 2.929 124.035 121.300 -0.323 0.000 2.338 297 W HA 0.664 5.324 4.660 -0.001 0.000 0.307 297 W C -0.625 175.813 176.519 -0.135 0.000 1.167 297 W CA -0.915 56.338 57.345 -0.153 0.000 1.208 297 W CB 1.441 30.851 29.460 -0.083 0.000 1.228 297 W HN 0.371 nan 8.180 nan 0.000 0.499 298 T N 8.016 122.450 114.554 -0.200 0.000 2.821 298 T HA 0.142 4.491 4.350 -0.001 0.000 0.307 298 T C 0.354 174.836 174.700 -0.363 0.000 1.034 298 T CA -0.730 61.162 62.100 -0.347 0.000 0.953 298 T CB 0.075 68.894 68.868 -0.082 0.000 0.968 298 T HN 0.522 nan 8.240 nan 0.000 0.462 299 N N 2.915 121.206 118.700 -0.682 0.000 2.327 299 N HA 0.106 4.845 4.740 -0.001 0.000 0.257 299 N C -0.191 175.281 175.510 -0.063 0.000 1.281 299 N CA -0.468 52.420 53.050 -0.270 0.000 0.942 299 N CB 0.532 38.809 38.487 -0.350 0.000 1.199 299 N HN 0.302 nan 8.380 nan 0.000 0.532 300 E N -0.646 119.570 120.200 0.026 0.000 2.373 300 E HA 0.150 4.499 4.350 -0.001 0.000 0.263 300 E C -0.138 176.490 176.600 0.047 0.000 1.073 300 E CA -0.190 56.252 56.400 0.069 0.000 0.894 300 E CB 0.717 30.393 29.700 -0.041 0.000 1.008 300 E HN 0.610 nan 8.360 nan 0.000 0.420 301 S N 0.210 116.001 115.700 0.151 0.000 2.554 301 S HA 0.038 4.507 4.470 -0.001 0.000 0.226 301 S C 0.595 175.138 174.600 -0.096 0.000 0.980 301 S CA -0.272 57.986 58.200 0.095 0.000 0.939 301 S CB 0.270 63.588 63.200 0.197 0.000 0.832 301 S HN 0.512 nan 8.310 nan 0.000 0.486 302 S N 1.893 117.306 115.700 -0.480 0.000 2.655 302 S HA 0.527 4.997 4.470 -0.001 0.000 0.265 302 S C 0.498 174.897 174.600 -0.337 0.000 1.240 302 S CA -0.706 57.091 58.200 -0.671 0.000 0.986 302 S CB 0.696 63.190 63.200 -1.176 0.000 0.985 302 S HN 0.349 nan 8.310 nan 0.000 0.562 303 S N -0.248 115.285 115.700 -0.279 0.000 2.600 303 S HA 0.159 4.629 4.470 -0.001 0.000 0.265 303 S C 0.984 175.494 174.600 -0.149 0.000 1.325 303 S CA -0.340 57.759 58.200 -0.168 0.000 1.002 303 S CB 0.842 63.961 63.200 -0.135 0.000 0.921 303 S HN 0.927 nan 8.310 nan 0.000 0.554 304 V N 1.351 121.211 119.914 -0.089 0.000 2.515 304 V HA -0.112 4.007 4.120 -0.001 0.000 0.250 304 V C 2.296 178.347 176.094 -0.072 0.000 1.058 304 V CA 2.262 64.527 62.300 -0.059 0.000 1.064 304 V CB -1.110 30.697 31.823 -0.027 0.000 0.675 304 V HN 0.965 nan 8.190 nan 0.000 0.461 305 E N 0.129 120.283 120.200 -0.077 0.000 2.038 305 E HA -0.231 4.118 4.350 -0.001 0.000 0.195 305 E C 1.972 178.516 176.600 -0.093 0.000 1.000 305 E CA 1.905 58.262 56.400 -0.071 0.000 0.803 305 E CB -0.273 29.390 29.700 -0.062 0.000 0.750 305 E HN 0.614 nan 8.360 nan 0.000 0.448 306 D N 0.452 120.772 120.400 -0.133 0.000 2.123 306 D HA -0.150 4.489 4.640 -0.001 0.000 0.196 306 D C 1.440 177.610 176.300 -0.216 0.000 0.992 306 D CA 1.123 55.020 54.000 -0.172 0.000 0.833 306 D CB -0.348 40.299 40.800 -0.254 0.000 0.954 306 D HN 0.129 nan 8.370 nan 0.000 0.455 307 D N -0.071 120.191 120.400 -0.230 0.000 2.087 307 D HA -0.115 4.524 4.640 -0.001 0.000 0.192 307 D C 2.275 178.482 176.300 -0.156 0.000 0.993 307 D CA 0.576 54.429 54.000 -0.244 0.000 0.828 307 D CB -0.494 40.230 40.800 -0.126 0.000 0.968 307 D HN 0.034 nan 8.370 nan 0.000 0.448 308 V N 0.798 120.663 119.914 -0.082 0.000 2.392 308 V HA -0.224 3.895 4.120 -0.001 0.000 0.249 308 V C 2.365 178.436 176.094 -0.038 0.000 1.059 308 V CA 1.834 64.110 62.300 -0.041 0.000 1.051 308 V CB -0.399 31.405 31.823 -0.031 0.000 0.658 308 V HN 0.271 nan 8.190 nan 0.000 0.455 309 E N 0.723 120.889 120.200 -0.056 0.000 2.072 309 E HA -0.227 4.122 4.350 -0.001 0.000 0.190 309 E C 2.285 178.874 176.600 -0.018 0.000 0.982 309 E CA 1.263 57.644 56.400 -0.032 0.000 0.803 309 E CB -0.027 29.652 29.700 -0.035 0.000 0.755 309 E HN 0.757 nan 8.360 nan 0.000 0.453 310 K N -0.899 119.461 120.400 -0.068 0.000 2.296 310 K HA 0.046 4.365 4.320 -0.001 0.000 0.200 310 K C 1.207 177.847 176.600 0.066 0.000 1.048 310 K CA 1.072 57.343 56.287 -0.027 0.000 0.966 310 K CB 0.274 32.678 32.500 -0.160 0.000 0.754 310 K HN 0.197 nan 8.250 nan 0.000 0.466 311 G N 1.406 110.206 108.800 0.001 0.000 2.131 311 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.223 311 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.223 311 G C -0.403 174.662 174.900 0.275 0.000 0.990 311 G CA 0.191 45.371 45.100 0.133 0.000 0.671 311 G HN 0.501 nan 8.290 nan 0.000 0.521 312 W N -1.451 119.904 121.300 0.092 0.000 3.146 312 W HA 0.785 5.444 4.660 -0.001 0.000 0.319 312 W C -0.943 175.643 176.519 0.112 0.000 1.258 312 W CA -0.818 56.592 57.345 0.108 0.000 1.189 312 W CB 1.055 30.565 29.460 0.083 0.000 1.412 312 W HN 0.702 nan 8.180 nan 0.000 0.567 313 S N 0.882 116.792 115.700 0.350 0.000 2.566 313 S HA 0.680 5.150 4.470 -0.001 0.000 0.273 313 S C -0.420 174.248 174.600 0.114 0.000 1.157 313 S CA 0.536 58.828 58.200 0.153 0.000 0.938 313 S CB 0.778 64.103 63.200 0.208 0.000 1.087 313 S HN 1.978 nan 8.310 nan 0.000 0.474 314 G N 3.130 112.044 108.800 0.190 0.000 2.907 314 G HA2 0.084 4.043 3.960 -0.001 0.000 0.686 314 G HA3 0.084 4.043 3.960 -0.001 0.000 0.686 314 G C -0.889 174.133 174.900 0.205 0.000 1.115 314 G CA -0.338 44.864 45.100 0.170 0.000 0.760 314 G HN 1.579 nan 8.290 nan 0.000 0.620 315 I N -1.677 119.025 120.570 0.220 0.000 3.042 315 I HA 0.818 4.988 4.170 -0.001 0.000 0.310 315 I C -0.335 175.915 176.117 0.221 0.000 1.117 315 I CA -1.472 59.912 61.300 0.141 0.000 1.003 315 I CB 2.211 40.259 38.000 0.080 0.000 1.228 315 I HN 0.449 nan 8.210 nan 0.000 0.443 316 Q N 2.612 122.551 119.800 0.232 0.000 2.235 316 Q HA 0.336 4.676 4.340 -0.001 0.000 0.250 316 Q C -0.041 176.164 176.000 0.340 0.000 0.909 316 Q CA -0.430 55.554 55.803 0.302 0.000 0.910 316 Q CB 1.818 30.781 28.738 0.374 0.000 1.223 316 Q HN 0.877 nan 8.270 nan 0.000 0.432 317 T N -1.665 113.075 114.554 0.311 0.000 2.748 317 T HA 0.262 4.611 4.350 -0.001 0.000 0.304 317 T C 0.842 175.681 174.700 0.231 0.000 1.041 317 T CA -0.764 61.547 62.100 0.352 0.000 1.033 317 T CB 0.460 69.537 68.868 0.348 0.000 0.995 317 T HN 0.351 nan 8.240 nan 0.000 0.536 318 I N 2.518 123.148 120.570 0.100 0.000 2.618 318 I HA 0.191 4.360 4.170 -0.001 0.000 0.284 318 I C -1.959 174.046 176.117 -0.187 0.000 1.146 318 I CA -2.541 58.705 61.300 -0.091 0.000 1.425 318 I CB -0.224 37.703 38.000 -0.122 0.000 1.383 318 I HN 0.515 nan 8.210 nan 0.000 0.562 319 P HA 0.075 nan 4.420 nan 0.000 0.265 319 P C -0.655 176.415 177.300 -0.382 0.000 1.193 319 P CA 0.106 62.788 63.100 -0.696 0.000 0.765 319 P CB 0.323 31.438 31.700 -0.976 0.000 0.823 320 R N 1.912 122.227 120.500 -0.308 0.000 2.561 320 R HA 0.454 4.794 4.340 -0.001 0.000 0.297 320 R C -0.354 175.855 176.300 -0.153 0.000 0.969 320 R CA -1.123 54.864 56.100 -0.189 0.000 0.879 320 R CB 1.555 31.794 30.300 -0.102 0.000 1.178 320 R HN 0.332 nan 8.270 nan 0.000 0.445 321 K N 4.560 124.931 120.400 -0.049 0.000 2.401 321 K HA 0.182 4.501 4.320 -0.001 0.000 0.278 321 K C -0.143 176.575 176.600 0.196 0.000 1.018 321 K CA -0.203 56.115 56.287 0.052 0.000 0.981 321 K CB 0.465 33.037 32.500 0.120 0.000 0.933 321 K HN 0.731 nan 8.250 nan 0.000 0.477 322 I N 1.088 121.744 120.570 0.143 0.000 2.934 322 I HA 0.814 4.983 4.170 -0.001 0.000 0.306 322 I C -1.434 174.872 176.117 0.315 0.000 1.110 322 I CA -0.969 60.378 61.300 0.079 0.000 1.019 322 I CB 1.581 39.484 38.000 -0.162 0.000 1.227 322 I HN 0.960 nan 8.210 nan 0.000 0.434 323 W N 3.051 124.321 121.300 -0.051 0.000 2.937 323 W HA 0.605 5.265 4.660 -0.001 0.000 0.360 323 W C -2.546 173.959 176.519 -0.023 0.000 1.215 323 W CA -1.163 56.158 57.345 -0.039 0.000 1.183 323 W CB 0.550 29.974 29.460 -0.061 0.000 1.458 323 W HN 0.572 nan 8.180 nan 0.000 0.574 324 L N 3.556 124.870 121.223 0.152 0.000 2.380 324 L HA 0.152 4.491 4.340 -0.001 0.000 0.273 324 L C 0.612 177.508 176.870 0.044 0.000 1.138 324 L CA -0.167 54.701 54.840 0.047 0.000 0.832 324 L CB 0.409 42.520 42.059 0.086 0.000 1.124 324 L HN 0.612 nan 8.230 nan 0.000 0.454 325 D N 4.304 124.685 120.400 -0.032 0.000 2.383 325 D HA 0.034 4.674 4.640 -0.001 0.000 0.248 325 D C 0.846 177.136 176.300 -0.017 0.000 1.170 325 D CA -0.405 53.581 54.000 -0.023 0.000 0.977 325 D CB 0.892 41.676 40.800 -0.027 0.000 1.120 325 D HN 0.483 nan 8.370 nan 0.000 0.481 326 R N -0.110 120.348 120.500 -0.069 0.000 2.113 326 R HA -0.179 4.160 4.340 -0.001 0.000 0.244 326 R C 2.312 178.677 176.300 0.108 0.000 1.142 326 R CA 2.287 58.345 56.100 -0.070 0.000 0.953 326 R CB -0.448 29.855 30.300 0.005 0.000 0.860 326 R HN 0.686 nan 8.270 nan 0.000 0.438 327 S N -0.973 114.785 115.700 0.097 0.000 2.481 327 S HA 0.017 4.486 4.470 -0.001 0.000 0.231 327 S C 1.565 176.241 174.600 0.127 0.000 0.996 327 S CA 0.732 59.001 58.200 0.116 0.000 0.942 327 S CB 0.256 63.513 63.200 0.096 0.000 0.768 327 S HN 0.580 nan 8.310 nan 0.000 0.520 328 G N 1.352 110.227 108.800 0.124 0.000 2.168 328 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.263 328 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.263 328 G C 0.734 175.749 174.900 0.191 0.000 0.977 328 G CA 0.676 45.862 45.100 0.144 0.000 0.659 328 G HN 0.579 nan 8.290 nan 0.000 0.533 329 K N -0.244 120.270 120.400 0.191 0.000 2.356 329 K HA 0.175 4.494 4.320 -0.001 0.000 0.195 329 K C 1.272 178.078 176.600 0.343 0.000 1.037 329 K CA 1.266 57.706 56.287 0.256 0.000 1.014 329 K CB 0.204 32.794 32.500 0.151 0.000 0.815 329 K HN 0.815 nan 8.250 nan 0.000 0.507 330 Q N -0.493 119.463 119.800 0.260 0.000 2.648 330 Q HA 0.417 4.756 4.340 -0.001 0.000 0.300 330 Q C -1.237 174.860 176.000 0.162 0.000 0.954 330 Q CA -0.933 55.058 55.803 0.312 0.000 0.757 330 Q CB 1.046 29.951 28.738 0.279 0.000 1.482 330 Q HN -0.110 nan 8.270 nan 0.000 0.437 331 L N 1.065 122.364 121.223 0.126 0.000 2.357 331 L HA 0.514 4.853 4.340 -0.001 0.000 0.273 331 L C -0.489 176.264 176.870 -0.194 0.000 1.080 331 L CA -1.122 53.637 54.840 -0.134 0.000 0.803 331 L CB 1.129 42.992 42.059 -0.327 0.000 1.174 331 L HN 0.549 nan 8.230 nan 0.000 0.443 332 I N 2.022 122.276 120.570 -0.525 0.000 2.441 332 I HA 0.393 4.562 4.170 -0.001 0.000 0.295 332 I C -0.278 175.319 176.117 -0.866 0.000 0.994 332 I CA -0.478 60.382 61.300 -0.732 0.000 1.144 332 I CB 1.610 38.884 38.000 -1.210 0.000 1.314 332 I HN 0.668 nan 8.210 nan 0.000 0.445 333 Q N 5.363 124.925 119.800 -0.398 0.000 2.377 333 Q HA 0.558 4.897 4.340 -0.001 0.000 0.271 333 Q C -1.397 174.673 176.000 0.118 0.000 1.077 333 Q CA -0.710 54.985 55.803 -0.179 0.000 0.820 333 Q CB 3.345 32.064 28.738 -0.032 0.000 1.347 333 Q HN 0.652 nan 8.270 nan 0.000 0.444 334 W N 2.362 123.579 121.300 -0.139 0.000 3.425 334 W HA 0.311 4.971 4.660 -0.001 0.000 0.318 334 W C -3.007 173.369 176.519 -0.238 0.000 1.201 334 W CA -1.975 55.239 57.345 -0.218 0.000 1.212 334 W CB 1.891 31.377 29.460 0.043 0.000 1.355 334 W HN 0.437 nan 8.180 nan 0.000 0.515 335 P HA -0.077 nan 4.420 nan 0.000 0.264 335 P C 0.169 177.274 177.300 -0.326 0.000 1.183 335 P CA 0.316 63.092 63.100 -0.540 0.000 0.763 335 P CB 0.406 31.688 31.700 -0.696 0.000 0.807 336 V N 2.392 122.169 119.914 -0.229 0.000 2.814 336 V HA -0.042 4.077 4.120 -0.001 0.000 0.307 336 V C 1.447 177.441 176.094 -0.167 0.000 1.089 336 V CA 0.184 62.381 62.300 -0.172 0.000 1.212 336 V CB -0.069 31.626 31.823 -0.214 0.000 0.912 336 V HN 0.489 nan 8.190 nan 0.000 0.497 337 R N 1.635 122.067 120.500 -0.113 0.000 2.235 337 R HA -0.060 4.279 4.340 -0.001 0.000 0.213 337 R C 1.800 178.013 176.300 -0.145 0.000 1.059 337 R CA 1.277 57.312 56.100 -0.109 0.000 0.997 337 R CB -0.092 30.168 30.300 -0.067 0.000 0.884 337 R HN 0.877 nan 8.270 nan 0.000 0.462 338 E N 0.662 120.776 120.200 -0.145 0.000 2.204 338 E HA -0.132 4.218 4.350 -0.001 0.000 0.195 338 E C 1.809 178.308 176.600 -0.168 0.000 0.990 338 E CA 0.621 56.935 56.400 -0.144 0.000 0.821 338 E CB -0.180 29.439 29.700 -0.136 0.000 0.750 338 E HN 0.013 nan 8.360 nan 0.000 0.477 339 V N 0.876 120.675 119.914 -0.191 0.000 2.594 339 V HA -0.267 3.852 4.120 -0.001 0.000 0.253 339 V C 1.427 177.347 176.094 -0.290 0.000 1.069 339 V CA 1.809 63.974 62.300 -0.225 0.000 1.082 339 V CB -0.185 31.499 31.823 -0.232 0.000 0.680 339 V HN 0.286 nan 8.190 nan 0.000 0.469 340 E N -0.587 119.443 120.200 -0.285 0.000 2.347 340 E HA -0.152 4.197 4.350 -0.001 0.000 0.196 340 E C 2.266 178.680 176.600 -0.310 0.000 1.008 340 E CA 0.518 56.708 56.400 -0.350 0.000 0.852 340 E CB -0.076 29.424 29.700 -0.333 0.000 0.783 340 E HN 0.583 nan 8.360 nan 0.000 0.505 341 R N 0.334 120.696 120.500 -0.229 0.000 2.148 341 R HA -0.047 4.293 4.340 -0.001 0.000 0.227 341 R C 2.106 178.298 176.300 -0.180 0.000 1.103 341 R CA 0.670 56.662 56.100 -0.180 0.000 0.983 341 R CB -0.148 30.070 30.300 -0.137 0.000 0.874 341 R HN 0.185 nan 8.270 nan 0.000 0.451 342 L N 0.558 121.649 121.223 -0.219 0.000 2.275 342 L HA -0.073 4.267 4.340 -0.001 0.000 0.215 342 L C 0.686 177.427 176.870 -0.216 0.000 1.119 342 L CA 0.593 55.302 54.840 -0.218 0.000 0.790 342 L CB -0.261 41.613 42.059 -0.308 0.000 0.919 342 L HN 0.060 nan 8.230 nan 0.000 0.443 343 R N 0.702 121.039 120.500 -0.271 0.000 2.502 343 R HA -0.002 4.337 4.340 -0.001 0.000 0.292 343 R C 0.529 176.778 176.300 -0.086 0.000 0.998 343 R CA 0.034 55.991 56.100 -0.238 0.000 1.056 343 R CB 0.162 30.131 30.300 -0.552 0.000 0.939 343 R HN -0.056 nan 8.270 nan 0.000 0.411 344 T N 2.422 116.994 114.554 0.029 0.000 2.937 344 T HA -0.027 4.323 4.350 -0.001 0.000 0.316 344 T C 1.462 176.231 174.700 0.115 0.000 1.079 344 T CA -0.342 61.796 62.100 0.063 0.000 1.131 344 T CB 0.517 69.432 68.868 0.079 0.000 1.000 344 T HN 0.527 nan 8.240 nan 0.000 0.549 345 K N 2.774 123.215 120.400 0.069 0.000 2.147 345 K HA -0.051 4.268 4.320 -0.001 0.000 0.205 345 K C 0.443 177.106 176.600 0.105 0.000 1.049 345 K CA 1.087 57.418 56.287 0.072 0.000 0.936 345 K CB 0.009 32.530 32.500 0.035 0.000 0.722 345 K HN 0.526 nan 8.250 nan 0.000 0.446 346 Q N 2.036 121.890 119.800 0.090 0.000 2.430 346 Q HA 0.249 4.588 4.340 -0.001 0.000 0.245 346 Q C -0.563 175.463 176.000 0.043 0.000 1.021 346 Q CA -0.368 55.469 55.803 0.058 0.000 0.867 346 Q CB 1.503 30.257 28.738 0.027 0.000 1.210 346 Q HN -0.026 nan 8.270 nan 0.000 0.487 347 V N 2.880 122.795 119.914 0.002 0.000 2.881 347 V HA 0.185 4.305 4.120 -0.001 0.000 0.303 347 V C -0.095 175.860 176.094 -0.233 0.000 1.070 347 V CA -0.275 61.875 62.300 -0.250 0.000 1.074 347 V CB 1.345 32.905 31.823 -0.438 0.000 1.012 347 V HN 0.583 nan 8.190 nan 0.000 0.482 348 K N 5.880 126.094 120.400 -0.309 0.000 2.240 348 K HA 0.371 4.690 4.320 -0.001 0.000 0.271 348 K C -0.460 175.982 176.600 -0.263 0.000 1.018 348 K CA -0.028 56.133 56.287 -0.211 0.000 0.874 348 K CB 0.570 32.978 32.500 -0.153 0.000 1.098 348 K HN 0.781 nan 8.250 nan 0.000 0.458 349 N N 5.674 124.265 118.700 -0.183 0.000 2.354 349 N HA 0.368 5.107 4.740 -0.001 0.000 0.287 349 N C -1.397 174.044 175.510 -0.116 0.000 1.016 349 N CA -0.473 52.473 53.050 -0.174 0.000 0.871 349 N CB 0.847 39.246 38.487 -0.145 0.000 1.299 349 N HN 0.504 nan 8.380 nan 0.000 0.482 350 L N 3.496 124.648 121.223 -0.119 0.000 2.346 350 L HA 0.609 4.949 4.340 -0.001 0.000 0.276 350 L C -0.114 176.700 176.870 -0.092 0.000 1.006 350 L CA -0.921 53.866 54.840 -0.089 0.000 0.817 350 L CB 1.871 43.878 42.059 -0.087 0.000 1.272 350 L HN 0.515 nan 8.230 nan 0.000 0.421 351 R N 1.942 122.400 120.500 -0.070 0.000 2.604 351 R HA 0.488 4.827 4.340 -0.001 0.000 0.281 351 R C -0.837 175.430 176.300 -0.054 0.000 1.020 351 R CA -0.883 55.177 56.100 -0.067 0.000 0.899 351 R CB 1.272 31.539 30.300 -0.056 0.000 1.205 351 R HN 0.631 nan 8.270 nan 0.000 0.450 352 N N 1.402 120.066 118.700 -0.059 0.000 2.756 352 N HA -0.125 4.614 4.740 -0.001 0.000 0.248 352 N C -1.180 174.306 175.510 -0.041 0.000 1.062 352 N CA 0.989 54.011 53.050 -0.047 0.000 0.696 352 N CB -0.516 37.950 38.487 -0.035 0.000 0.946 352 N HN 0.645 nan 8.380 nan 0.000 0.548 353 K N 0.344 120.715 120.400 -0.048 0.000 2.138 353 K HA 0.531 4.850 4.320 -0.001 0.000 0.263 353 K C 0.294 176.875 176.600 -0.032 0.000 0.965 353 K CA -0.680 55.587 56.287 -0.033 0.000 0.868 353 K CB 1.985 34.466 32.500 -0.031 0.000 1.083 353 K HN -0.076 nan 8.250 nan 0.000 0.443 354 V N 4.260 124.163 119.914 -0.018 0.000 2.311 354 V HA 0.230 4.350 4.120 -0.001 0.000 0.275 354 V C 0.151 176.242 176.094 -0.004 0.000 1.022 354 V CA -0.743 61.545 62.300 -0.019 0.000 0.830 354 V CB 0.538 32.352 31.823 -0.017 0.000 1.012 354 V HN 0.509 nan 8.190 nan 0.000 0.452 355 L N 6.185 127.406 121.223 -0.004 0.000 2.385 355 L HA 0.288 4.627 4.340 -0.001 0.000 0.285 355 L C 0.632 177.504 176.870 0.003 0.000 1.125 355 L CA -0.354 54.495 54.840 0.014 0.000 0.890 355 L CB -0.164 41.911 42.059 0.028 0.000 1.251 355 L HN 0.578 nan 8.230 nan 0.000 0.445 356 K N 1.267 121.679 120.400 0.020 0.000 2.156 356 K HA 0.133 4.452 4.320 -0.001 0.000 0.242 356 K C 0.562 177.188 176.600 0.044 0.000 1.033 356 K CA -0.440 55.862 56.287 0.024 0.000 0.878 356 K CB 0.242 32.760 32.500 0.030 0.000 1.057 356 K HN 0.335 nan 8.250 nan 0.000 0.505 357 S N 0.227 115.957 115.700 0.051 0.000 2.515 357 S HA 0.299 4.769 4.470 -0.001 0.000 0.285 357 S C 0.974 175.628 174.600 0.091 0.000 1.265 357 S CA 0.700 58.941 58.200 0.069 0.000 1.079 357 S CB -0.905 62.340 63.200 0.075 0.000 0.877 357 S HN 0.837 nan 8.310 nan 0.000 0.493 358 G N 3.199 112.101 108.800 0.170 0.000 2.141 358 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.242 358 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.242 358 G C 0.086 175.136 174.900 0.251 0.000 0.982 358 G CA 0.283 45.501 45.100 0.196 0.000 0.662 358 G HN 1.567 nan 8.290 nan 0.000 0.527 359 S N -0.552 115.292 115.700 0.239 0.000 2.651 359 S HA 0.883 5.353 4.470 -0.001 0.000 0.291 359 S C -0.014 174.702 174.600 0.193 0.000 1.141 359 S CA 0.031 58.334 58.200 0.171 0.000 1.027 359 S CB 1.920 65.181 63.200 0.102 0.000 1.043 359 S HN 1.268 nan 8.310 nan 0.000 0.530 360 R N 0.513 121.099 120.500 0.143 0.000 2.651 360 R HA 0.746 5.086 4.340 -0.001 0.000 0.278 360 R C -2.004 174.389 176.300 0.154 0.000 1.010 360 R CA -1.085 55.099 56.100 0.139 0.000 0.896 360 R CB 1.084 31.400 30.300 0.028 0.000 1.211 360 R HN 0.529 nan 8.270 nan 0.000 0.456 361 L N 1.538 122.872 121.223 0.184 0.000 2.319 361 L HA 0.414 4.754 4.340 -0.001 0.000 0.281 361 L C -0.390 176.550 176.870 0.117 0.000 1.005 361 L CA -0.436 54.481 54.840 0.128 0.000 0.828 361 L CB 1.721 43.819 42.059 0.065 0.000 1.227 361 L HN 0.865 nan 8.230 nan 0.000 0.415 362 E N 3.204 123.412 120.200 0.014 0.000 2.354 362 E HA 0.380 4.729 4.350 -0.001 0.000 0.269 362 E C -1.243 174.986 176.600 -0.619 0.000 1.036 362 E CA -0.526 55.636 56.400 -0.396 0.000 0.876 362 E CB 1.131 30.483 29.700 -0.581 0.000 1.009 362 E HN 0.541 nan 8.360 nan 0.000 0.416 363 V N 5.784 125.358 119.914 -0.566 0.000 2.333 363 V HA 0.200 4.319 4.120 -0.001 0.000 0.274 363 V C -0.703 175.157 176.094 -0.390 0.000 1.028 363 V CA -0.452 61.610 62.300 -0.398 0.000 0.851 363 V CB -0.049 31.640 31.823 -0.224 0.000 1.000 363 V HN 0.595 nan 8.190 nan 0.000 0.456 364 Y N 1.852 122.106 120.300 -0.076 0.000 2.326 364 Y HA 0.569 5.118 4.550 -0.002 0.000 0.324 364 Y C 1.505 177.369 175.900 -0.060 0.000 1.291 364 Y CA 0.443 58.508 58.100 -0.058 0.000 1.348 364 Y CB 1.312 39.753 38.460 -0.033 0.000 1.294 364 Y HN 0.775 nan 8.280 nan 0.000 0.525 365 G N 0.333 109.218 108.800 0.141 0.000 2.143 365 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.248 365 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.248 365 G C -0.825 174.083 174.900 0.015 0.000 0.991 365 G CA 0.173 45.308 45.100 0.057 0.000 0.689 365 G HN 0.622 nan 8.290 nan 0.000 0.522 366 V N 0.919 120.831 119.914 -0.003 0.000 2.735 366 V HA 0.779 4.898 4.120 -0.001 0.000 0.310 366 V C 0.911 176.993 176.094 -0.019 0.000 1.061 366 V CA 0.183 62.474 62.300 -0.015 0.000 0.913 366 V CB 2.019 33.821 31.823 -0.035 0.000 1.005 366 V HN 0.958 nan 8.190 nan 0.000 0.428 367 T N 3.814 118.367 114.554 -0.002 0.000 3.162 367 T HA 0.253 4.602 4.350 -0.001 0.000 0.264 367 T C 1.201 175.889 174.700 -0.020 0.000 0.959 367 T CA 0.256 62.353 62.100 -0.005 0.000 1.118 367 T CB 0.577 69.458 68.868 0.022 0.000 0.979 367 T HN 1.098 nan 8.240 nan 0.000 0.679 368 A N 2.833 125.621 122.820 -0.052 0.000 2.076 368 A HA 0.214 4.533 4.320 -0.001 0.000 0.220 368 A C 2.459 180.020 177.584 -0.038 0.000 1.160 368 A CA 1.179 53.183 52.037 -0.055 0.000 0.653 368 A CB -0.754 18.182 19.000 -0.106 0.000 0.801 368 A HN 1.056 nan 8.150 nan 0.000 0.455 369 A N -2.049 120.737 122.820 -0.057 0.000 2.218 369 A HA 0.260 4.579 4.320 -0.001 0.000 0.209 369 A C 1.059 178.462 177.584 -0.301 0.000 1.168 369 A CA 0.777 52.742 52.037 -0.119 0.000 0.804 369 A CB -0.032 18.945 19.000 -0.038 0.000 0.834 369 A HN 0.512 nan 8.150 nan 0.000 0.482 370 Q N -0.454 119.260 119.800 -0.143 0.000 3.412 370 Q HA 0.582 4.922 4.340 -0.001 0.000 0.219 370 Q C -1.159 174.896 176.000 0.091 0.000 0.913 370 Q CA -0.125 55.663 55.803 -0.024 0.000 0.722 370 Q CB 0.959 29.683 28.738 -0.024 0.000 1.385 370 Q HN 0.452 nan 8.270 nan 0.000 0.461 371 A N 1.886 124.786 122.820 0.134 0.000 2.606 371 A HA 0.679 4.999 4.320 -0.001 0.000 0.293 371 A C -1.910 175.755 177.584 0.135 0.000 1.082 371 A CA -0.669 51.428 52.037 0.102 0.000 0.685 371 A CB 2.007 21.052 19.000 0.074 0.000 1.284 371 A HN 0.486 nan 8.150 nan 0.000 0.408 372 D N 0.292 120.779 120.400 0.145 0.000 2.391 372 D HA 0.517 5.157 4.640 -0.001 0.000 0.245 372 D C -1.565 174.929 176.300 0.323 0.000 1.069 372 D CA 0.036 54.148 54.000 0.188 0.000 0.831 372 D CB 1.799 42.643 40.800 0.073 0.000 1.204 372 D HN 0.677 nan 8.370 nan 0.000 0.503 373 V N 3.481 123.547 119.914 0.253 0.000 2.577 373 V HA 0.507 4.626 4.120 -0.001 0.000 0.303 373 V C -1.197 175.038 176.094 0.236 0.000 1.042 373 V CA -0.491 61.934 62.300 0.208 0.000 0.872 373 V CB 1.753 33.640 31.823 0.108 0.000 0.998 373 V HN 0.533 nan 8.190 nan 0.000 0.423 374 E N 4.139 124.485 120.200 0.244 0.000 2.199 374 E HA 0.697 5.046 4.350 -0.001 0.000 0.269 374 E C -1.479 175.195 176.600 0.122 0.000 0.899 374 E CA -0.520 56.031 56.400 0.250 0.000 0.772 374 E CB 2.645 32.560 29.700 0.359 0.000 1.155 374 E HN 0.573 nan 8.360 nan 0.000 0.408 375 V N 4.591 124.583 119.914 0.130 0.000 2.841 375 V HA 0.500 4.620 4.120 -0.001 0.000 0.310 375 V C -1.696 174.398 176.094 -0.000 0.000 1.090 375 V CA -0.633 61.653 62.300 -0.023 0.000 0.930 375 V CB 1.593 33.348 31.823 -0.113 0.000 1.014 375 V HN 0.579 nan 8.190 nan 0.000 0.425 376 L N 6.126 127.264 121.223 -0.141 0.000 2.313 376 L HA 0.621 4.960 4.340 -0.001 0.000 0.283 376 L C -1.276 175.463 176.870 -0.219 0.000 1.013 376 L CA -0.302 54.506 54.840 -0.054 0.000 0.816 376 L CB 1.780 43.829 42.059 -0.017 0.000 1.236 376 L HN 0.565 nan 8.230 nan 0.000 0.419 377 F N 2.467 122.477 119.950 0.100 0.000 2.469 377 F HA 0.487 5.013 4.527 -0.001 0.000 0.332 377 F C 0.157 175.927 175.800 -0.051 0.000 1.103 377 F CA -0.642 57.377 58.000 0.033 0.000 0.979 377 F CB 1.834 40.944 39.000 0.183 0.000 1.137 377 F HN 0.261 nan 8.300 nan 0.000 0.463 378 K N 3.473 123.899 120.400 0.045 0.000 2.413 378 K HA 0.641 4.960 4.320 -0.001 0.000 0.257 378 K C -1.247 175.279 176.600 -0.124 0.000 0.946 378 K CA -0.785 55.482 56.287 -0.035 0.000 0.823 378 K CB 1.542 34.019 32.500 -0.038 0.000 1.109 378 K HN 0.554 nan 8.250 nan 0.000 0.427 379 V N 2.341 122.157 119.914 -0.163 0.000 2.567 379 V HA 0.438 4.557 4.120 -0.001 0.000 0.289 379 V C 0.715 176.717 176.094 -0.154 0.000 1.049 379 V CA -0.419 61.755 62.300 -0.211 0.000 0.969 379 V CB 1.640 33.323 31.823 -0.232 0.000 0.995 379 V HN 0.841 nan 8.190 nan 0.000 0.471 380 R N 1.132 121.552 120.500 -0.133 0.000 2.105 380 R HA 0.217 4.556 4.340 -0.001 0.000 0.214 380 R C -0.152 176.091 176.300 -0.094 0.000 1.091 380 R CA 0.637 56.680 56.100 -0.094 0.000 1.007 380 R CB 0.154 30.412 30.300 -0.070 0.000 0.912 380 R HN 0.814 nan 8.270 nan 0.000 0.450 381 D N 1.508 121.848 120.400 -0.099 0.000 2.460 381 D HA 0.148 4.788 4.640 -0.001 0.000 0.268 381 D C 1.048 177.279 176.300 -0.115 0.000 1.153 381 D CA -0.099 53.853 54.000 -0.081 0.000 0.929 381 D CB 1.337 42.110 40.800 -0.044 0.000 1.015 381 D HN -0.039 nan 8.370 nan 0.000 0.502 382 L N 1.103 122.208 121.223 -0.196 0.000 2.083 382 L HA -0.236 4.103 4.340 -0.001 0.000 0.209 382 L C 1.992 178.792 176.870 -0.116 0.000 1.083 382 L CA 1.377 56.011 54.840 -0.344 0.000 0.752 382 L CB 0.092 41.714 42.059 -0.729 0.000 0.899 382 L HN 0.184 nan 8.230 nan 0.000 0.433 383 E N -0.527 119.682 120.200 0.015 0.000 2.265 383 E HA -0.205 4.144 4.350 -0.001 0.000 0.196 383 E C 1.544 178.196 176.600 0.087 0.000 0.996 383 E CA 0.827 57.300 56.400 0.121 0.000 0.832 383 E CB -0.383 29.373 29.700 0.093 0.000 0.756 383 E HN 0.192 nan 8.360 nan 0.000 0.491 384 K N 0.626 121.049 120.400 0.039 0.000 2.525 384 K HA 0.220 4.539 4.320 -0.001 0.000 0.192 384 K C 0.404 177.039 176.600 0.059 0.000 1.029 384 K CA 0.533 56.842 56.287 0.036 0.000 1.029 384 K CB -0.099 32.410 32.500 0.014 0.000 0.814 384 K HN 0.239 nan 8.250 nan 0.000 0.503 385 A N 1.747 124.619 122.820 0.087 0.000 2.407 385 A HA 0.133 4.453 4.320 -0.001 0.000 0.248 385 A C -0.599 177.068 177.584 0.138 0.000 1.082 385 A CA -0.394 51.708 52.037 0.107 0.000 0.785 385 A CB 0.163 19.254 19.000 0.151 0.000 1.020 385 A HN 0.158 nan 8.150 nan 0.000 0.489 386 D N 0.426 120.909 120.400 0.139 0.000 2.341 386 D HA 0.367 5.006 4.640 -0.001 0.000 0.245 386 D C -0.243 176.186 176.300 0.215 0.000 1.106 386 D CA -0.117 53.984 54.000 0.168 0.000 0.905 386 D CB 0.949 41.875 40.800 0.209 0.000 1.202 386 D HN 0.225 nan 8.370 nan 0.000 0.426 387 V N 3.056 123.038 119.914 0.114 0.000 2.479 387 V HA 0.025 4.145 4.120 -0.001 0.000 0.281 387 V C 0.644 176.734 176.094 -0.008 0.000 1.031 387 V CA -0.359 61.971 62.300 0.049 0.000 1.038 387 V CB 0.494 32.305 31.823 -0.020 0.000 0.981 387 V HN 0.512 nan 8.190 nan 0.000 0.478 388 I N 4.157 124.706 120.570 -0.034 0.000 2.692 388 I HA 0.140 4.309 4.170 -0.001 0.000 0.284 388 I C 0.831 176.701 176.117 -0.411 0.000 1.159 388 I CA -0.244 60.873 61.300 -0.304 0.000 1.423 388 I CB 0.560 38.355 38.000 -0.341 0.000 1.380 388 I HN 0.603 nan 8.210 nan 0.000 0.580 389 E N 8.481 128.223 120.200 -0.763 0.000 2.324 389 E HA 0.086 4.435 4.350 -0.001 0.000 0.271 389 E C -1.779 174.592 176.600 -0.381 0.000 1.028 389 E CA -1.512 54.456 56.400 -0.719 0.000 0.890 389 E CB 0.732 29.611 29.700 -1.368 0.000 1.004 389 E HN 0.435 nan 8.360 nan 0.000 0.431 390 P HA -0.121 nan 4.420 nan 0.000 0.222 390 P C 1.090 178.375 177.300 -0.024 0.000 1.147 390 P CA 1.012 64.049 63.100 -0.106 0.000 0.790 390 P CB 0.264 31.914 31.700 -0.084 0.000 0.780 391 S N -3.515 112.190 115.700 0.009 0.000 2.527 391 S HA -0.043 4.426 4.470 -0.001 0.000 0.222 391 S C 0.378 175.156 174.600 0.297 0.000 0.985 391 S CA -0.192 58.086 58.200 0.130 0.000 0.921 391 S CB -0.830 62.455 63.200 0.142 0.000 0.772 391 S HN 0.048 nan 8.310 nan 0.000 0.529 392 W N 4.088 125.372 121.300 -0.027 0.000 2.290 392 W HA 0.416 5.075 4.660 -0.001 0.000 0.408 392 W C 1.223 177.773 176.519 0.052 0.000 0.966 392 W CA -0.787 56.552 57.345 -0.010 0.000 1.579 392 W CB -0.684 28.732 29.460 -0.074 0.000 1.662 392 W HN 0.425 nan 8.180 nan 0.000 0.341 393 T N -3.234 111.474 114.554 0.256 0.000 2.990 393 T HA -0.004 4.346 4.350 -0.001 0.000 0.249 393 T C 0.170 175.033 174.700 0.272 0.000 1.039 393 T CA 0.047 62.294 62.100 0.244 0.000 1.036 393 T CB 0.350 69.306 68.868 0.147 0.000 0.994 393 T HN 0.060 nan 8.240 nan 0.000 0.489 394 D N 3.257 123.734 120.400 0.129 0.000 2.359 394 D HA 0.279 4.918 4.640 -0.001 0.000 0.230 394 D C -1.496 174.716 176.300 -0.146 0.000 1.118 394 D CA -2.536 51.469 54.000 0.007 0.000 0.844 394 D CB 2.120 42.915 40.800 -0.008 0.000 1.059 394 D HN 0.020 nan 8.370 nan 0.000 0.493 395 P HA -0.171 nan 4.420 nan 0.000 0.217 395 P C 1.355 178.443 177.300 -0.353 0.000 1.151 395 P CA 0.916 63.609 63.100 -0.677 0.000 0.828 395 P CB 0.462 31.442 31.700 -1.201 0.000 0.788 396 Q N 0.192 119.851 119.800 -0.235 0.000 2.061 396 Q HA -0.133 4.206 4.340 -0.001 0.000 0.204 396 Q C 2.338 178.259 176.000 -0.132 0.000 0.984 396 Q CA 1.459 57.181 55.803 -0.134 0.000 0.846 396 Q CB -0.644 28.067 28.738 -0.044 0.000 0.902 396 Q HN 0.182 nan 8.270 nan 0.000 0.421 397 L N 0.318 121.460 121.223 -0.135 0.000 2.191 397 L HA -0.176 4.163 4.340 -0.001 0.000 0.212 397 L C 2.340 179.073 176.870 -0.228 0.000 1.103 397 L CA 0.682 55.430 54.840 -0.153 0.000 0.769 397 L CB -0.324 41.651 42.059 -0.140 0.000 0.908 397 L HN 0.343 nan 8.230 nan 0.000 0.438 398 I N -0.871 119.542 120.570 -0.262 0.000 2.202 398 I HA -0.310 3.859 4.170 -0.001 0.000 0.242 398 I C 2.594 178.619 176.117 -0.153 0.000 1.091 398 I CA 1.106 62.220 61.300 -0.311 0.000 1.368 398 I CB -0.437 37.447 38.000 -0.195 0.000 1.058 398 I HN 0.341 nan 8.210 nan 0.000 0.410 399 c N 0.154 118.692 118.600 -0.104 0.000 2.411 399 c HA -0.134 4.435 4.570 -0.001 0.000 0.279 399 c C 3.153 177.223 174.090 -0.032 0.000 1.288 399 c CA 1.104 57.409 56.329 -0.040 0.000 1.764 399 c CB -1.086 41.357 42.510 -0.111 0.000 1.974 399 c HN 0.492 nan 8.230 nan 0.000 0.498 400 S N 0.478 116.128 115.700 -0.083 0.000 2.371 400 S HA -0.121 4.349 4.470 -0.001 0.000 0.224 400 S C 1.852 176.413 174.600 -0.065 0.000 1.029 400 S CA 1.287 59.441 58.200 -0.077 0.000 0.978 400 S CB -0.107 63.039 63.200 -0.091 0.000 0.833 400 S HN 0.679 nan 8.310 nan 0.000 0.466 401 K N 0.218 120.560 120.400 -0.098 0.000 2.242 401 K HA 0.266 4.586 4.320 -0.001 0.000 0.200 401 K C 0.391 176.968 176.600 -0.038 0.000 1.050 401 K CA 0.494 56.728 56.287 -0.087 0.000 0.981 401 K CB 0.145 32.551 32.500 -0.155 0.000 0.795 401 K HN 0.249 nan 8.250 nan 0.000 0.477 402 M N 3.048 122.636 119.600 -0.020 0.000 2.754 402 M HA 0.126 4.605 4.480 -0.001 0.000 0.327 402 M C -0.724 175.645 176.300 0.115 0.000 1.288 402 M CA -0.642 54.701 55.300 0.072 0.000 1.324 402 M CB 0.191 32.877 32.600 0.143 0.000 1.169 402 M HN 0.142 nan 8.290 nan 0.000 0.494 403 N N 0.264 119.011 118.700 0.079 0.000 2.327 403 N HA 0.150 4.890 4.740 -0.001 0.000 0.257 403 N C 1.040 176.578 175.510 0.047 0.000 1.281 403 N CA -0.744 52.360 53.050 0.090 0.000 0.942 403 N CB 0.470 38.987 38.487 0.050 0.000 1.199 403 N HN 0.260 nan 8.380 nan 0.000 0.532 404 V N -3.369 116.554 119.914 0.015 0.000 2.867 404 V HA -0.161 3.958 4.120 -0.001 0.000 0.260 404 V C 1.769 177.896 176.094 0.055 0.000 1.099 404 V CA 1.771 64.044 62.300 -0.045 0.000 1.122 404 V CB -1.422 30.393 31.823 -0.014 0.000 0.708 404 V HN 0.810 nan 8.190 nan 0.000 0.490 405 S N -0.457 115.249 115.700 0.010 0.000 2.562 405 S HA 0.172 4.641 4.470 -0.001 0.000 0.221 405 S C 0.684 175.259 174.600 -0.042 0.000 0.975 405 S CA 0.264 58.433 58.200 -0.052 0.000 0.918 405 S CB -0.420 62.748 63.200 -0.052 0.000 0.772 405 S HN 0.418 nan 8.310 nan 0.000 0.531 406 V N 3.144 123.055 119.914 -0.004 0.000 2.368 406 V HA 0.299 4.418 4.120 -0.001 0.000 0.266 406 V C 0.108 176.196 176.094 -0.009 0.000 1.045 406 V CA -0.681 61.628 62.300 0.015 0.000 0.899 406 V CB 0.661 32.524 31.823 0.066 0.000 1.006 406 V HN 0.352 nan 8.190 nan 0.000 0.470 407 K N 3.382 123.732 120.400 -0.084 0.000 2.237 407 K HA 0.559 4.879 4.320 -0.001 0.000 0.270 407 K C 0.287 176.823 176.600 -0.106 0.000 1.015 407 K CA -0.141 56.005 56.287 -0.236 0.000 0.949 407 K CB 1.049 33.142 32.500 -0.678 0.000 0.976 407 K HN 0.824 nan 8.250 nan 0.000 0.472 408 S N -0.452 115.201 115.700 -0.079 0.000 2.697 408 S HA 0.423 4.892 4.470 -0.001 0.000 0.289 408 S C 1.100 175.798 174.600 0.163 0.000 1.149 408 S CA -0.656 57.609 58.200 0.108 0.000 0.850 408 S CB 1.351 64.600 63.200 0.083 0.000 1.151 408 S HN 0.650 nan 8.310 nan 0.000 0.491 409 G N 0.271 109.214 108.800 0.239 0.000 2.586 409 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.218 409 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.218 409 G C 0.135 175.102 174.900 0.112 0.000 1.216 409 G CA 0.811 46.036 45.100 0.208 0.000 0.786 409 G HN 0.535 nan 8.290 nan 0.000 0.583 410 L N 1.283 122.533 121.223 0.045 0.000 2.295 410 L HA 0.618 4.958 4.340 -0.001 0.000 0.281 410 L C 0.713 177.643 176.870 0.100 0.000 1.018 410 L CA 0.627 55.515 54.840 0.080 0.000 0.841 410 L CB -0.160 41.934 42.059 0.060 0.000 1.218 410 L HN 0.676 nan 8.230 nan 0.000 0.424 411 G N 5.442 114.361 108.800 0.198 0.000 2.662 411 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.686 411 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.686 411 G C -3.145 171.734 174.900 -0.035 0.000 1.271 411 G CA -1.174 43.976 45.100 0.083 0.000 0.816 411 G HN 0.338 nan 8.290 nan 0.000 0.608 412 P HA 0.529 nan 4.420 nan 0.000 0.276 412 P C -0.457 176.581 177.300 -0.437 0.000 1.243 412 P CA 0.070 62.971 63.100 -0.332 0.000 0.768 412 P CB 0.092 31.390 31.700 -0.669 0.000 0.856 413 F N 1.057 120.667 119.950 -0.567 0.000 2.578 413 F HA 0.911 5.437 4.527 -0.001 0.000 0.311 413 F C 0.252 175.477 175.800 -0.959 0.000 1.094 413 F CA -0.668 56.750 58.000 -0.970 0.000 0.923 413 F CB 1.680 40.290 39.000 -0.649 0.000 1.230 413 F HN 0.638 nan 8.300 nan 0.000 0.450 414 G N 2.208 110.463 108.800 -0.909 0.000 2.564 414 G HA2 0.303 4.262 3.960 -0.001 0.000 0.139 414 G HA3 0.303 4.262 3.960 -0.001 0.000 0.139 414 G C -2.189 172.858 174.900 0.246 0.000 1.147 414 G CA -0.821 44.095 45.100 -0.307 0.000 1.031 414 G HN 0.793 nan 8.290 nan 0.000 0.482 415 L N 0.606 122.074 121.223 0.407 0.000 2.342 415 L HA 0.724 5.063 4.340 -0.001 0.000 0.271 415 L C -0.204 176.909 176.870 0.405 0.000 1.008 415 L CA -0.669 54.430 54.840 0.432 0.000 0.818 415 L CB 2.106 44.328 42.059 0.272 0.000 1.296 415 L HN 0.414 nan 8.230 nan 0.000 0.427 416 M N 4.013 123.782 119.600 0.281 0.000 2.044 416 M HA 0.363 4.842 4.480 -0.001 0.000 0.333 416 M C -0.546 175.889 176.300 0.225 0.000 1.004 416 M CA -0.701 54.683 55.300 0.140 0.000 0.954 416 M CB 1.585 34.139 32.600 -0.078 0.000 1.468 416 M HN 0.409 nan 8.290 nan 0.000 0.414 417 V N 2.080 122.104 119.914 0.183 0.000 2.975 417 V HA 0.578 4.697 4.120 -0.001 0.000 0.318 417 V C 0.597 176.780 176.094 0.148 0.000 1.077 417 V CA -0.918 61.470 62.300 0.146 0.000 1.000 417 V CB 1.648 33.536 31.823 0.109 0.000 1.066 417 V HN 0.929 nan 8.190 nan 0.000 0.452 418 L N 0.603 121.896 121.223 0.116 0.000 3.854 418 L HA -0.177 4.163 4.340 -0.001 0.000 0.460 418 L C 0.559 177.536 176.870 0.178 0.000 1.228 418 L CA 0.789 55.699 54.840 0.117 0.000 0.760 418 L CB -1.480 40.625 42.059 0.077 0.000 1.597 418 L HN 1.159 nan 8.230 nan 0.000 0.852 419 A N 0.093 123.062 122.820 0.249 0.000 2.312 419 A HA 0.763 5.083 4.320 -0.001 0.000 0.326 419 A C 0.585 178.394 177.584 0.375 0.000 1.172 419 A CA 0.198 52.444 52.037 0.348 0.000 0.821 419 A CB 1.143 20.435 19.000 0.487 0.000 1.166 419 A HN 0.442 nan 8.150 nan 0.000 0.493 420 S N 1.309 117.200 115.700 0.317 0.000 2.614 420 S HA 0.226 4.696 4.470 -0.001 0.000 0.265 420 S C 1.082 175.819 174.600 0.229 0.000 1.303 420 S CA -0.192 58.186 58.200 0.296 0.000 1.000 420 S CB 1.023 64.338 63.200 0.192 0.000 0.935 420 S HN 0.782 nan 8.310 nan 0.000 0.551 421 K N 0.697 121.133 120.400 0.059 0.000 2.103 421 K HA -0.110 4.209 4.320 -0.001 0.000 0.207 421 K C 0.286 176.861 176.600 -0.041 0.000 1.048 421 K CA 1.396 57.533 56.287 -0.251 0.000 0.930 421 K CB -0.329 32.033 32.500 -0.231 0.000 0.716 421 K HN 0.613 nan 8.250 nan 0.000 0.444 422 N N 0.745 119.447 118.700 0.004 0.000 2.251 422 N HA 0.083 4.822 4.740 -0.001 0.000 0.217 422 N C -0.334 175.170 175.510 -0.011 0.000 1.124 422 N CA 0.031 53.074 53.050 -0.012 0.000 0.843 422 N CB 0.288 38.779 38.487 0.007 0.000 1.024 422 N HN 0.105 nan 8.380 nan 0.000 0.501 423 L N 0.332 121.565 121.223 0.018 0.000 3.742 423 L HA -0.277 4.062 4.340 -0.001 0.000 0.431 423 L C 0.984 177.971 176.870 0.194 0.000 1.220 423 L CA 0.400 55.295 54.840 0.092 0.000 0.863 423 L CB -1.627 40.328 42.059 -0.174 0.000 1.751 423 L HN 0.096 nan 8.230 nan 0.000 0.922 424 E N -0.044 120.235 120.200 0.132 0.000 2.106 424 E HA -0.027 4.323 4.350 -0.001 0.000 0.192 424 E C 0.470 177.112 176.600 0.069 0.000 0.984 424 E CA 1.404 57.858 56.400 0.091 0.000 0.806 424 E CB 0.122 29.860 29.700 0.064 0.000 0.750 424 E HN 0.665 nan 8.360 nan 0.000 0.458 425 E N -0.917 119.351 120.200 0.112 0.000 2.266 425 E HA 0.472 4.821 4.350 -0.001 0.000 0.268 425 E C -1.319 175.378 176.600 0.162 0.000 0.879 425 E CA -0.886 55.529 56.400 0.025 0.000 0.762 425 E CB 1.889 31.619 29.700 0.051 0.000 1.199 425 E HN 0.046 nan 8.360 nan 0.000 0.422 426 Y N -2.291 118.018 120.300 0.014 0.000 2.662 426 Y HA 0.458 5.008 4.550 -0.001 0.000 0.334 426 Y C -1.262 174.635 175.900 -0.006 0.000 1.185 426 Y CA -1.168 56.942 58.100 0.015 0.000 1.074 426 Y CB 0.992 39.440 38.460 -0.021 0.000 1.330 426 Y HN 0.196 nan 8.280 nan 0.000 0.458 427 T N 2.116 116.776 114.554 0.177 0.000 2.786 427 T HA 0.519 4.868 4.350 -0.001 0.000 0.283 427 T C -0.754 174.047 174.700 0.170 0.000 0.992 427 T CA -0.833 61.327 62.100 0.100 0.000 0.954 427 T CB 1.111 70.006 68.868 0.046 0.000 0.934 427 T HN 0.633 nan 8.240 nan 0.000 0.440 428 S N 2.568 118.380 115.700 0.187 0.000 2.452 428 S HA 0.428 4.897 4.470 -0.001 0.000 0.284 428 S C 0.055 174.789 174.600 0.224 0.000 1.171 428 S CA -0.726 57.615 58.200 0.234 0.000 1.064 428 S CB 0.755 64.133 63.200 0.297 0.000 0.967 428 S HN 0.519 nan 8.310 nan 0.000 0.484 429 V N 5.925 125.954 119.914 0.192 0.000 2.313 429 V HA 0.498 4.617 4.120 -0.001 0.000 0.278 429 V C -0.711 175.371 176.094 -0.021 0.000 1.017 429 V CA -0.559 61.744 62.300 0.005 0.000 0.823 429 V CB -0.347 31.463 31.823 -0.022 0.000 1.010 429 V HN 0.876 nan 8.190 nan 0.000 0.443 430 Y N 3.063 123.204 120.300 -0.265 0.000 2.677 430 Y HA 0.879 5.429 4.550 -0.001 0.000 0.334 430 Y C -1.608 173.861 175.900 -0.719 0.000 1.154 430 Y CA -2.073 55.741 58.100 -0.476 0.000 1.070 430 Y CB 1.341 39.694 38.460 -0.178 0.000 1.294 430 Y HN 0.278 nan 8.280 nan 0.000 0.475 431 F N 0.991 120.664 119.950 -0.462 0.000 2.492 431 F HA 0.763 5.290 4.527 -0.001 0.000 0.327 431 F C -0.041 175.474 175.800 -0.476 0.000 1.079 431 F CA -1.093 56.545 58.000 -0.604 0.000 0.967 431 F CB 2.178 40.559 39.000 -1.031 0.000 1.169 431 F HN 0.381 nan 8.300 nan 0.000 0.472 432 R N 2.490 122.975 120.500 -0.025 0.000 2.686 432 R HA 0.660 5.000 4.340 -0.001 0.000 0.286 432 R C -1.552 174.638 176.300 -0.184 0.000 0.969 432 R CA -0.924 55.090 56.100 -0.143 0.000 0.898 432 R CB 2.394 32.630 30.300 -0.106 0.000 1.183 432 R HN 0.371 nan 8.270 nan 0.000 0.456 433 I N 3.727 124.133 120.570 -0.273 0.000 2.389 433 I HA 0.362 4.531 4.170 -0.001 0.000 0.288 433 I C -0.544 175.409 176.117 -0.272 0.000 0.999 433 I CA -0.649 60.561 61.300 -0.150 0.000 1.129 433 I CB 0.880 38.850 38.000 -0.050 0.000 1.288 433 I HN 0.466 nan 8.210 nan 0.000 0.444 434 F N 3.990 124.051 119.950 0.184 0.000 2.523 434 F HA 0.475 5.001 4.527 -0.001 0.000 0.329 434 F C 0.797 176.725 175.800 0.214 0.000 1.061 434 F CA -0.937 57.167 58.000 0.173 0.000 0.967 434 F CB 1.387 40.467 39.000 0.134 0.000 1.218 434 F HN 0.250 nan 8.300 nan 0.000 0.480 435 K N 1.063 121.669 120.400 0.344 0.000 2.297 435 K HA 0.451 4.770 4.320 -0.001 0.000 0.286 435 K C 0.747 177.353 176.600 0.010 0.000 1.053 435 K CA -0.069 56.279 56.287 0.102 0.000 0.940 435 K CB 1.267 33.793 32.500 0.042 0.000 1.019 435 K HN 0.831 nan 8.250 nan 0.000 0.475 436 A N 4.925 127.684 122.820 -0.102 0.000 1.917 436 A HA -0.138 4.181 4.320 -0.001 0.000 0.219 436 A C 0.991 178.512 177.584 -0.104 0.000 1.182 436 A CA 1.404 53.381 52.037 -0.100 0.000 0.633 436 A CB 0.017 18.941 19.000 -0.127 0.000 0.819 436 A HN 0.722 nan 8.150 nan 0.000 0.448 437 R N -1.472 118.958 120.500 -0.117 0.000 2.734 437 R HA 0.265 4.604 4.340 -0.001 0.000 0.271 437 R C -1.257 174.991 176.300 -0.087 0.000 1.021 437 R CA -0.615 55.427 56.100 -0.096 0.000 0.893 437 R CB 0.832 31.078 30.300 -0.091 0.000 1.244 437 R HN 0.447 nan 8.270 nan 0.000 0.464 438 Q N 1.424 121.185 119.800 -0.066 0.000 2.274 438 Q HA 0.012 4.351 4.340 -0.001 0.000 0.280 438 Q C -0.458 175.512 176.000 -0.049 0.000 1.047 438 Q CA 0.945 56.719 55.803 -0.049 0.000 0.907 438 Q CB 0.112 28.826 28.738 -0.041 0.000 1.171 438 Q HN 0.683 nan 8.270 nan 0.000 0.381 439 N N 0.825 119.502 118.700 -0.039 0.000 2.741 439 N HA -0.229 4.510 4.740 -0.001 0.000 0.251 439 N C -0.935 174.541 175.510 -0.056 0.000 1.112 439 N CA 0.870 53.901 53.050 -0.032 0.000 0.750 439 N CB -0.663 37.811 38.487 -0.022 0.000 1.119 439 N HN 0.475 nan 8.380 nan 0.000 0.561 440 S N -0.796 114.840 115.700 -0.107 0.000 2.652 440 S HA 0.387 4.856 4.470 -0.001 0.000 0.270 440 S C 0.936 175.403 174.600 -0.222 0.000 1.243 440 S CA -0.422 57.686 58.200 -0.154 0.000 0.999 440 S CB 1.252 64.336 63.200 -0.194 0.000 0.973 440 S HN 0.331 nan 8.310 nan 0.000 0.544 441 N N 0.796 119.389 118.700 -0.179 0.000 2.254 441 N HA 0.186 4.926 4.740 -0.001 0.000 0.190 441 N C -0.645 174.734 175.510 -0.218 0.000 1.107 441 N CA 0.164 53.144 53.050 -0.116 0.000 0.869 441 N CB 0.120 38.639 38.487 0.055 0.000 0.983 441 N HN 0.480 nan 8.380 nan 0.000 0.487 442 K N 0.296 120.515 120.400 -0.302 0.000 2.205 442 K HA 0.215 4.535 4.320 -0.001 0.000 0.279 442 K C -1.069 175.281 176.600 -0.417 0.000 1.027 442 K CA -0.126 56.039 56.287 -0.203 0.000 0.932 442 K CB 0.854 33.285 32.500 -0.115 0.000 1.032 442 K HN 0.033 nan 8.250 nan 0.000 0.466 443 Y N 0.008 120.337 120.300 0.048 0.000 2.536 443 Y HA 0.383 4.932 4.550 -0.001 0.000 0.347 443 Y C -0.331 175.594 175.900 0.041 0.000 1.000 443 Y CA -1.149 56.979 58.100 0.047 0.000 1.051 443 Y CB 1.770 40.250 38.460 0.034 0.000 1.259 443 Y HN 0.129 nan 8.280 nan 0.000 0.468 444 V N 3.412 123.473 119.914 0.246 0.000 2.357 444 V HA 0.369 4.488 4.120 -0.001 0.000 0.284 444 V C -0.745 175.516 176.094 0.279 0.000 1.018 444 V CA -0.883 61.520 62.300 0.172 0.000 0.841 444 V CB 1.367 33.238 31.823 0.080 0.000 0.991 444 V HN 0.525 nan 8.190 nan 0.000 0.437 445 V N 6.651 126.694 119.914 0.214 0.000 2.364 445 V HA 0.378 4.497 4.120 -0.001 0.000 0.272 445 V C -0.118 176.184 176.094 0.347 0.000 1.036 445 V CA -0.430 61.985 62.300 0.192 0.000 0.880 445 V CB 1.370 33.213 31.823 0.034 0.000 0.991 445 V HN 0.645 nan 8.190 nan 0.000 0.460 446 L N 6.183 127.641 121.223 0.392 0.000 2.309 446 L HA 0.662 5.002 4.340 -0.001 0.000 0.282 446 L C -0.353 176.632 176.870 0.190 0.000 1.036 446 L CA -0.120 54.930 54.840 0.351 0.000 0.806 446 L CB 1.416 43.743 42.059 0.446 0.000 1.220 446 L HN 0.749 nan 8.230 nan 0.000 0.429 447 M N 5.240 124.851 119.600 0.018 0.000 2.243 447 M HA 0.481 4.960 4.480 -0.001 0.000 0.324 447 M C -1.697 174.398 176.300 -0.342 0.000 1.031 447 M CA -0.275 54.928 55.300 -0.162 0.000 0.949 447 M CB 1.040 33.593 32.600 -0.078 0.000 1.615 447 M HN 0.710 nan 8.290 nan 0.000 0.430 448 c N 2.082 120.317 118.600 -0.608 0.000 2.417 448 c HA 0.636 5.205 4.570 -0.001 0.000 0.324 448 c C 0.140 173.934 174.090 -0.494 0.000 1.240 448 c CA -0.724 55.230 56.329 -0.626 0.000 1.632 448 c CB 1.594 43.484 42.510 -1.033 0.000 2.241 448 c HN 0.832 nan 8.230 nan 0.000 0.499 449 S N 2.023 117.578 115.700 -0.241 0.000 2.528 449 S HA 0.256 4.726 4.470 -0.001 0.000 0.303 449 S C -0.913 173.619 174.600 -0.114 0.000 1.123 449 S CA -0.201 57.929 58.200 -0.116 0.000 1.138 449 S CB -0.146 63.066 63.200 0.020 0.000 0.984 449 S HN 0.814 nan 8.310 nan 0.000 0.474 450 D N 3.596 123.959 120.400 -0.062 0.000 2.329 450 D HA 0.222 4.861 4.640 -0.001 0.000 0.232 450 D C 0.099 176.365 176.300 -0.057 0.000 1.088 450 D CA -0.288 53.690 54.000 -0.037 0.000 0.835 450 D CB 1.115 41.995 40.800 0.133 0.000 1.078 450 D HN 0.630 nan 8.370 nan 0.000 0.495 451 Q N 2.243 121.960 119.800 -0.138 0.000 2.182 451 Q HA 0.096 4.435 4.340 -0.001 0.000 0.305 451 Q C 0.783 176.690 176.000 -0.155 0.000 0.880 451 Q CA -0.289 55.431 55.803 -0.138 0.000 1.131 451 Q CB 0.024 28.683 28.738 -0.132 0.000 1.237 451 Q HN 0.351 nan 8.270 nan 0.000 0.447 452 S N 0.764 116.372 115.700 -0.153 0.000 2.406 452 S HA -0.009 4.461 4.470 -0.001 0.000 0.228 452 S C 1.343 175.832 174.600 -0.185 0.000 1.020 452 S CA 0.379 58.491 58.200 -0.146 0.000 0.965 452 S CB -0.066 63.066 63.200 -0.112 0.000 0.798 452 S HN 0.381 nan 8.310 nan 0.000 0.488 453 R N 1.243 121.567 120.500 -0.293 0.000 2.816 453 R HA 0.298 4.638 4.340 -0.001 0.000 0.382 453 R C 1.002 177.064 176.300 -0.397 0.000 1.140 453 R CA 0.468 56.329 56.100 -0.398 0.000 1.050 453 R CB 0.497 30.404 30.300 -0.654 0.000 1.396 453 R HN 0.621 nan 8.270 nan 0.000 0.583 454 S N -1.395 114.170 115.700 -0.225 0.000 2.470 454 S HA 0.042 4.511 4.470 -0.001 0.000 0.225 454 S C 0.869 175.430 174.600 -0.065 0.000 1.006 454 S CA 0.022 58.142 58.200 -0.134 0.000 0.934 454 S CB 0.462 63.604 63.200 -0.095 0.000 0.778 454 S HN 0.106 nan 8.310 nan 0.000 0.517 455 S N -0.809 114.854 115.700 -0.061 0.000 2.536 455 S HA 0.568 5.037 4.470 -0.001 0.000 0.271 455 S C 0.151 174.738 174.600 -0.021 0.000 1.134 455 S CA -0.830 57.365 58.200 -0.008 0.000 0.897 455 S CB 1.089 64.300 63.200 0.019 0.000 1.094 455 S HN 0.278 nan 8.310 nan 0.000 0.473 456 L N 2.118 123.344 121.223 0.006 0.000 2.291 456 L HA 0.189 4.528 4.340 -0.001 0.000 0.214 456 L C 1.311 178.179 176.870 -0.003 0.000 1.120 456 L CA 0.721 55.561 54.840 -0.000 0.000 0.799 456 L CB -0.171 41.898 42.059 0.018 0.000 0.925 456 L HN 0.563 nan 8.230 nan 0.000 0.446 457 K N 0.778 121.181 120.400 0.005 0.000 2.339 457 K HA 0.009 4.329 4.320 -0.001 0.000 0.286 457 K C 0.564 177.147 176.600 -0.029 0.000 1.050 457 K CA -0.046 56.236 56.287 -0.009 0.000 0.956 457 K CB 1.010 33.507 32.500 -0.005 0.000 0.990 457 K HN -0.005 nan 8.250 nan 0.000 0.475 458 E N 2.259 122.439 120.200 -0.034 0.000 2.371 458 E HA -0.072 4.277 4.350 -0.001 0.000 0.194 458 E C 0.388 176.957 176.600 -0.052 0.000 1.012 458 E CA 0.579 56.953 56.400 -0.042 0.000 0.860 458 E CB 0.219 29.897 29.700 -0.037 0.000 0.811 458 E HN 0.625 nan 8.360 nan 0.000 0.502 459 D N 0.698 121.062 120.400 -0.059 0.000 2.263 459 D HA -0.073 4.566 4.640 -0.001 0.000 0.208 459 D C 0.108 176.350 176.300 -0.096 0.000 0.971 459 D CA 0.589 54.543 54.000 -0.076 0.000 0.867 459 D CB -0.088 40.659 40.800 -0.087 0.000 0.929 459 D HN 0.096 nan 8.370 nan 0.000 0.492 460 N N 1.629 120.270 118.700 -0.097 0.000 2.492 460 N HA -0.035 4.704 4.740 -0.001 0.000 0.260 460 N C -0.282 175.192 175.510 -0.061 0.000 1.215 460 N CA 0.065 53.057 53.050 -0.096 0.000 0.923 460 N CB 0.687 39.152 38.487 -0.037 0.000 1.092 460 N HN 0.046 nan 8.380 nan 0.000 0.448 461 D N 1.501 121.872 120.400 -0.049 0.000 2.348 461 D HA -0.006 4.633 4.640 -0.001 0.000 0.259 461 D C -0.128 176.145 176.300 -0.044 0.000 1.296 461 D CA 0.280 54.257 54.000 -0.038 0.000 0.931 461 D CB 0.182 40.970 40.800 -0.019 0.000 1.067 461 D HN 0.259 nan 8.370 nan 0.000 0.503 462 K N 2.726 123.082 120.400 -0.074 0.000 2.675 462 K HA 0.104 4.424 4.320 -0.001 0.000 0.213 462 K C 0.134 176.633 176.600 -0.168 0.000 1.074 462 K CA -0.284 55.937 56.287 -0.110 0.000 1.172 462 K CB 0.294 32.735 32.500 -0.097 0.000 0.927 462 K HN 0.352 nan 8.250 nan 0.000 0.471 463 T N 1.641 116.078 114.554 -0.194 0.000 2.940 463 T HA 0.010 4.359 4.350 -0.001 0.000 0.309 463 T C 0.454 174.830 174.700 -0.540 0.000 1.056 463 T CA 0.634 62.571 62.100 -0.272 0.000 1.137 463 T CB 0.839 69.597 68.868 -0.183 0.000 0.976 463 T HN 0.080 nan 8.240 nan 0.000 0.547 464 T N 3.135 117.424 114.554 -0.441 0.000 2.907 464 T HA 0.515 4.864 4.350 -0.001 0.000 0.284 464 T C -0.909 173.497 174.700 -0.490 0.000 1.004 464 T CA -0.333 61.483 62.100 -0.473 0.000 1.063 464 T CB 0.341 69.076 68.868 -0.221 0.000 0.992 464 T HN 0.363 nan 8.240 nan 0.000 0.483 465 Y N 0.013 120.254 120.300 -0.099 0.000 2.509 465 Y HA 0.731 5.280 4.550 -0.001 0.000 0.341 465 Y C 0.650 176.445 175.900 -0.175 0.000 1.038 465 Y CA -1.250 56.780 58.100 -0.117 0.000 1.089 465 Y CB 1.966 40.365 38.460 -0.102 0.000 1.241 465 Y HN 0.848 nan 8.280 nan 0.000 0.468 466 G N -0.217 108.571 108.800 -0.020 0.000 2.690 466 G HA2 0.810 4.769 3.960 -0.001 0.000 0.291 466 G HA3 0.810 4.769 3.960 -0.001 0.000 0.291 466 G C -1.955 172.753 174.900 -0.320 0.000 1.403 466 G CA -0.720 44.260 45.100 -0.200 0.000 0.864 466 G HN 0.936 nan 8.290 nan 0.000 0.480 467 A N 0.031 122.580 122.820 -0.452 0.000 2.560 467 A HA 0.637 4.957 4.320 -0.001 0.000 0.300 467 A C -1.059 176.260 177.584 -0.441 0.000 1.062 467 A CA -0.807 50.827 52.037 -0.672 0.000 0.767 467 A CB 0.335 18.827 19.000 -0.847 0.000 1.288 467 A HN 0.703 nan 8.150 nan 0.000 0.396 468 F N 1.089 120.906 119.950 -0.220 0.000 2.459 468 F HA 0.453 4.979 4.527 -0.001 0.000 0.346 468 F C 0.600 176.361 175.800 -0.066 0.000 1.128 468 F CA -0.102 57.851 58.000 -0.078 0.000 1.268 468 F CB 1.211 40.186 39.000 -0.042 0.000 1.161 468 F HN 0.296 nan 8.300 nan 0.000 0.583 469 V N 1.488 121.536 119.914 0.224 0.000 2.444 469 V HA 0.119 4.238 4.120 -0.001 0.000 0.294 469 V C -0.542 175.625 176.094 0.122 0.000 1.022 469 V CA -0.865 61.524 62.300 0.147 0.000 0.850 469 V CB 1.583 33.504 31.823 0.163 0.000 0.992 469 V HN 0.603 nan 8.190 nan 0.000 0.426 470 D N 5.794 126.256 120.400 0.104 0.000 2.608 470 D HA 0.313 4.952 4.640 -0.001 0.000 0.224 470 D C -0.186 176.158 176.300 0.073 0.000 1.123 470 D CA 0.114 54.164 54.000 0.083 0.000 1.030 470 D CB -0.251 40.598 40.800 0.082 0.000 1.093 470 D HN 0.618 nan 8.370 nan 0.000 0.497 471 I N -1.434 119.175 120.570 0.065 0.000 2.865 471 I HA 0.479 4.648 4.170 -0.001 0.000 0.302 471 I C -0.442 175.709 176.117 0.057 0.000 1.140 471 I CA -1.320 60.011 61.300 0.051 0.000 1.021 471 I CB 1.864 39.881 38.000 0.029 0.000 1.233 471 I HN -0.223 nan 8.210 nan 0.000 0.427 472 N N 5.094 123.836 118.700 0.070 0.000 2.401 472 N HA 0.332 5.071 4.740 -0.001 0.000 0.255 472 N C -1.918 173.637 175.510 0.076 0.000 1.110 472 N CA -2.159 50.959 53.050 0.114 0.000 0.949 472 N CB 1.200 39.762 38.487 0.126 0.000 1.110 472 N HN 0.434 nan 8.380 nan 0.000 0.490 473 P HA -0.002 nan 4.420 nan 0.000 0.230 473 P C 0.414 177.624 177.300 -0.151 0.000 1.158 473 P CA 0.927 63.961 63.100 -0.111 0.000 0.769 473 P CB 0.245 31.807 31.700 -0.231 0.000 0.807 474 H N -1.270 117.750 119.070 -0.082 0.000 2.387 474 H HA -0.071 4.485 4.556 -0.001 0.000 0.299 474 H C 0.926 176.231 175.328 -0.038 0.000 1.099 474 H CA 1.156 57.167 56.048 -0.060 0.000 1.315 474 H CB -0.522 29.231 29.762 -0.016 0.000 1.380 474 H HN 0.173 nan 8.280 nan 0.000 0.513 475 Q N 0.603 120.463 119.800 0.100 0.000 2.317 475 Q HA 0.230 4.570 4.340 -0.001 0.000 0.229 475 Q C -2.281 173.732 176.000 0.023 0.000 0.984 475 Q CA -1.956 53.879 55.803 0.052 0.000 0.911 475 Q CB 0.251 29.020 28.738 0.051 0.000 1.217 475 Q HN 0.126 nan 8.270 nan 0.000 0.501 476 P HA 0.031 nan 4.420 nan 0.000 0.269 476 P C -1.093 176.239 177.300 0.054 0.000 1.209 476 P CA -0.162 62.961 63.100 0.038 0.000 0.776 476 P CB 0.465 32.188 31.700 0.038 0.000 0.876 477 L N 2.187 123.465 121.223 0.091 0.000 2.265 477 L HA 0.242 4.581 4.340 -0.001 0.000 0.288 477 L C 0.705 177.731 176.870 0.261 0.000 1.058 477 L CA 0.528 55.408 54.840 0.068 0.000 0.809 477 L CB 0.489 42.477 42.059 -0.118 0.000 1.179 477 L HN 0.269 nan 8.230 nan 0.000 0.429 478 S N 3.480 119.323 115.700 0.239 0.000 2.586 478 S HA 0.732 5.201 4.470 -0.001 0.000 0.274 478 S C -0.666 174.240 174.600 0.510 0.000 1.281 478 S CA -0.357 58.038 58.200 0.325 0.000 1.035 478 S CB 1.113 64.453 63.200 0.233 0.000 0.962 478 S HN 0.411 nan 8.310 nan 0.000 0.512 479 L N 3.283 124.802 121.223 0.492 0.000 2.562 479 L HA 0.516 4.855 4.340 -0.001 0.000 0.266 479 L C -0.826 176.274 176.870 0.384 0.000 0.949 479 L CA -0.205 54.917 54.840 0.471 0.000 0.879 479 L CB 1.560 43.913 42.059 0.490 0.000 1.278 479 L HN 0.677 nan 8.230 nan 0.000 0.404 480 R N 3.950 124.687 120.500 0.395 0.000 2.562 480 R HA 0.955 5.295 4.340 -0.001 0.000 0.298 480 R C -1.492 174.990 176.300 0.303 0.000 0.961 480 R CA -0.344 55.956 56.100 0.334 0.000 0.881 480 R CB 1.905 32.377 30.300 0.287 0.000 1.159 480 R HN 0.806 nan 8.270 nan 0.000 0.450 481 A N 5.616 128.577 122.820 0.235 0.000 2.353 481 A HA 0.444 4.763 4.320 -0.001 0.000 0.299 481 A C -1.103 176.601 177.584 0.200 0.000 1.089 481 A CA -0.732 51.424 52.037 0.198 0.000 0.736 481 A CB 1.036 20.125 19.000 0.149 0.000 1.195 481 A HN 0.676 nan 8.150 nan 0.000 0.447 482 L N 3.318 124.682 121.223 0.235 0.000 2.276 482 L HA 0.493 4.832 4.340 -0.001 0.000 0.286 482 L C -0.607 176.426 176.870 0.271 0.000 1.061 482 L CA -0.085 54.928 54.840 0.287 0.000 0.807 482 L CB 1.000 43.281 42.059 0.371 0.000 1.177 482 L HN 0.576 nan 8.230 nan 0.000 0.429 483 I N 3.289 124.028 120.570 0.282 0.000 2.433 483 I HA 0.323 4.493 4.170 -0.001 0.000 0.292 483 I C -0.681 175.523 176.117 0.145 0.000 1.001 483 I CA -0.185 61.207 61.300 0.154 0.000 1.119 483 I CB 2.019 40.075 38.000 0.093 0.000 1.289 483 I HN 0.485 nan 8.210 nan 0.000 0.438 484 D N 5.235 125.602 120.400 -0.056 0.000 2.978 484 D HA 0.200 4.839 4.640 -0.001 0.000 0.268 484 D C 0.496 176.695 176.300 -0.168 0.000 1.252 484 D CA 0.019 53.885 54.000 -0.222 0.000 0.771 484 D CB 0.100 40.613 40.800 -0.478 0.000 1.361 484 D HN 0.679 nan 8.370 nan 0.000 0.558 485 H N -0.099 118.970 119.070 -0.002 0.000 4.955 485 H HA -0.254 4.301 4.556 -0.001 0.000 0.059 485 H C 1.026 176.375 175.328 0.035 0.000 0.580 485 H CA 2.045 58.113 56.048 0.033 0.000 0.969 485 H CB -1.552 28.234 29.762 0.040 0.000 0.469 485 H HN 0.441 nan 8.280 nan 0.000 0.792 486 S N 0.639 116.383 115.700 0.075 0.000 2.819 486 S HA 0.527 4.996 4.470 -0.001 0.000 0.249 486 S C 0.118 174.553 174.600 -0.274 0.000 1.030 486 S CA 0.396 58.499 58.200 -0.161 0.000 1.052 486 S CB 1.429 64.548 63.200 -0.135 0.000 1.017 486 S HN 0.366 nan 8.310 nan 0.000 0.576 487 V N 1.166 120.949 119.914 -0.219 0.000 2.760 487 V HA 0.748 4.867 4.120 -0.001 0.000 0.309 487 V C -1.680 174.319 176.094 -0.159 0.000 1.077 487 V CA -0.561 61.594 62.300 -0.242 0.000 0.910 487 V CB 2.107 33.684 31.823 -0.409 0.000 1.008 487 V HN 0.226 nan 8.190 nan 0.000 0.424 488 V N 6.073 125.932 119.914 -0.091 0.000 2.483 488 V HA 0.559 4.678 4.120 -0.001 0.000 0.297 488 V C -0.381 175.697 176.094 -0.027 0.000 1.027 488 V CA -0.563 61.722 62.300 -0.024 0.000 0.855 488 V CB 1.786 33.604 31.823 -0.009 0.000 0.995 488 V HN 0.933 nan 8.190 nan 0.000 0.424 489 E N 2.770 122.981 120.200 0.018 0.000 2.114 489 E HA 0.508 4.857 4.350 -0.001 0.000 0.266 489 E C -0.854 175.638 176.600 -0.180 0.000 0.896 489 E CA -0.314 56.035 56.400 -0.085 0.000 0.750 489 E CB 1.793 31.547 29.700 0.090 0.000 1.121 489 E HN 0.616 nan 8.360 nan 0.000 0.413 490 S N 2.683 118.150 115.700 -0.387 0.000 2.475 490 S HA 0.529 4.998 4.470 -0.001 0.000 0.298 490 S C -0.781 173.497 174.600 -0.537 0.000 1.119 490 S CA -0.642 57.396 58.200 -0.270 0.000 1.085 490 S CB 0.476 63.583 63.200 -0.155 0.000 1.028 490 S HN 0.310 nan 8.310 nan 0.000 0.489 491 F N 1.348 121.327 119.950 0.048 0.000 2.500 491 F HA 0.495 5.022 4.527 -0.001 0.000 0.349 491 F C 0.823 176.765 175.800 0.237 0.000 1.127 491 F CA -0.720 57.360 58.000 0.133 0.000 0.998 491 F CB 1.367 40.451 39.000 0.141 0.000 1.237 491 F HN 0.677 nan 8.300 nan 0.000 0.439 492 G N 0.626 109.628 108.800 0.336 0.000 2.420 492 G HA2 0.438 4.397 3.960 -0.001 0.000 0.284 492 G HA3 0.438 4.397 3.960 -0.001 0.000 0.284 492 G C 0.660 175.784 174.900 0.373 0.000 1.177 492 G CA -0.230 45.116 45.100 0.410 0.000 0.841 492 G HN 1.198 nan 8.290 nan 0.000 0.527 493 G N 0.757 109.764 108.800 0.346 0.000 2.338 493 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.296 493 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.296 493 G C 0.709 175.708 174.900 0.166 0.000 1.040 493 G CA 0.958 46.181 45.100 0.204 0.000 1.004 493 G HN 1.828 nan 8.290 nan 0.000 0.509 494 K N -1.963 118.551 120.400 0.190 0.000 3.035 494 K HA -0.058 4.261 4.320 -0.001 0.000 0.262 494 K C 1.634 178.254 176.600 0.033 0.000 1.024 494 K CA 2.428 58.682 56.287 -0.055 0.000 0.748 494 K CB -1.518 30.858 32.500 -0.207 0.000 1.247 494 K HN 2.450 nan 8.250 nan 0.000 0.482 495 G N -1.164 107.875 108.800 0.398 0.000 2.163 495 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.213 495 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.213 495 G C 0.725 175.747 174.900 0.205 0.000 0.991 495 G CA 0.277 45.631 45.100 0.424 0.000 0.653 495 G HN 0.419 nan 8.290 nan 0.000 0.518 496 R N 0.174 120.777 120.500 0.172 0.000 2.240 496 R HA 0.505 4.844 4.340 -0.001 0.000 0.203 496 R C 1.088 177.485 176.300 0.161 0.000 1.011 496 R CA 1.141 57.317 56.100 0.127 0.000 1.007 496 R CB 0.349 30.712 30.300 0.106 0.000 0.911 496 R HN 0.748 nan 8.270 nan 0.000 0.468 497 A N 0.455 123.384 122.820 0.181 0.000 2.446 497 A HA 0.448 4.767 4.320 -0.001 0.000 0.282 497 A C -1.001 176.634 177.584 0.085 0.000 1.102 497 A CA -0.753 51.363 52.037 0.132 0.000 0.737 497 A CB 0.879 19.923 19.000 0.074 0.000 1.212 497 A HN 0.173 nan 8.150 nan 0.000 0.434 498 C N 2.563 121.885 119.300 0.036 0.000 2.351 498 C HA 0.758 5.217 4.460 -0.001 0.000 0.326 498 C C -0.023 174.831 174.990 -0.226 0.000 1.272 498 C CA -0.506 58.376 59.018 -0.228 0.000 1.650 498 C CB -0.009 27.558 27.740 -0.290 0.000 2.257 498 C HN 0.687 nan 8.230 nan 0.000 0.505 499 I N 2.786 123.160 120.570 -0.327 0.000 2.517 499 I HA 0.208 4.377 4.170 -0.001 0.000 0.280 499 I C -0.095 175.867 176.117 -0.259 0.000 1.061 499 I CA 0.206 61.360 61.300 -0.245 0.000 1.091 499 I CB 1.412 39.334 38.000 -0.131 0.000 1.205 499 I HN 0.601 nan 8.210 nan 0.000 0.459 500 T N 4.073 118.469 114.554 -0.263 0.000 2.856 500 T HA 0.476 4.825 4.350 -0.001 0.000 0.292 500 T C 0.162 174.803 174.700 -0.098 0.000 0.980 500 T CA -0.411 61.594 62.100 -0.158 0.000 1.091 500 T CB 1.180 70.007 68.868 -0.068 0.000 0.936 500 T HN 0.721 nan 8.240 nan 0.000 0.503 501 S N 2.811 118.505 115.700 -0.009 0.000 2.588 501 S HA 0.766 5.235 4.470 -0.001 0.000 0.275 501 S C -1.350 173.248 174.600 -0.004 0.000 1.130 501 S CA -1.284 56.982 58.200 0.109 0.000 0.855 501 S CB 1.808 65.122 63.200 0.189 0.000 1.116 501 S HN 0.425 nan 8.310 nan 0.000 0.472 502 R N 1.092 121.592 120.500 -0.000 0.000 2.480 502 R HA 0.746 5.085 4.340 -0.001 0.000 0.306 502 R C -0.703 175.451 176.300 -0.242 0.000 0.958 502 R CA -0.662 55.349 56.100 -0.149 0.000 0.861 502 R CB 1.329 31.608 30.300 -0.035 0.000 1.171 502 R HN 0.907 nan 8.270 nan 0.000 0.445 503 V N -0.029 119.566 119.914 -0.532 0.000 3.007 503 V HA 0.658 4.778 4.120 -0.001 0.000 0.311 503 V C -1.226 174.353 176.094 -0.858 0.000 1.120 503 V CA -0.961 61.074 62.300 -0.442 0.000 0.980 503 V CB 2.405 34.115 31.823 -0.188 0.000 1.033 503 V HN 0.704 nan 8.190 nan 0.000 0.429 504 Y N 1.706 121.867 120.300 -0.232 0.000 2.513 504 Y HA 0.553 5.102 4.550 -0.001 0.000 0.341 504 Y C -2.776 173.046 175.900 -0.130 0.000 1.075 504 Y CA -2.087 55.687 58.100 -0.543 0.000 1.190 504 Y CB 1.380 39.286 38.460 -0.923 0.000 1.111 504 Y HN 0.493 nan 8.280 nan 0.000 0.644 505 P HA 0.187 nan 4.420 nan 0.000 0.274 505 P C 0.410 177.898 177.300 0.313 0.000 1.231 505 P CA -0.373 62.859 63.100 0.220 0.000 0.790 505 P CB 1.564 33.372 31.700 0.179 0.000 0.951 506 K N 0.983 121.502 120.400 0.199 0.000 2.166 506 K HA 0.160 4.479 4.320 -0.001 0.000 0.201 506 K C 1.589 178.265 176.600 0.128 0.000 1.052 506 K CA 1.338 57.725 56.287 0.168 0.000 0.969 506 K CB -0.465 32.104 32.500 0.115 0.000 0.761 506 K HN 0.350 nan 8.250 nan 0.000 0.459 507 L N -0.740 120.556 121.223 0.122 0.000 2.286 507 L HA 0.277 4.616 4.340 -0.001 0.000 0.203 507 L C 0.885 177.835 176.870 0.132 0.000 1.068 507 L CA 0.174 55.083 54.840 0.115 0.000 0.811 507 L CB -0.248 41.879 42.059 0.114 0.000 0.989 507 L HN -0.106 nan 8.230 nan 0.000 0.467 508 A N 1.776 124.687 122.820 0.151 0.000 3.026 508 A HA 0.475 4.794 4.320 -0.001 0.000 0.272 508 A C -0.074 177.594 177.584 0.140 0.000 1.782 508 A CA 0.147 52.278 52.037 0.157 0.000 1.451 508 A CB -1.277 17.825 19.000 0.170 0.000 1.081 508 A HN 0.275 nan 8.150 nan 0.000 0.611 509 I N 0.496 121.132 120.570 0.109 0.000 2.545 509 I HA 0.544 4.713 4.170 -0.001 0.000 0.292 509 I C 1.226 177.387 176.117 0.074 0.000 1.040 509 I CA -0.143 61.214 61.300 0.094 0.000 1.068 509 I CB 1.925 39.948 38.000 0.039 0.000 1.251 509 I HN 0.691 nan 8.210 nan 0.000 0.424 510 G N 5.330 114.198 108.800 0.114 0.000 2.690 510 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.334 510 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.334 510 G C 0.868 175.785 174.900 0.029 0.000 1.250 510 G CA 0.896 46.053 45.100 0.096 0.000 0.994 510 G HN 0.687 nan 8.290 nan 0.000 0.549 511 K N 0.706 121.111 120.400 0.009 0.000 2.362 511 K HA 0.167 4.487 4.320 -0.001 0.000 0.200 511 K C 2.442 178.994 176.600 -0.081 0.000 1.046 511 K CA 1.177 57.446 56.287 -0.031 0.000 0.952 511 K CB -0.024 32.473 32.500 -0.005 0.000 0.753 511 K HN 0.242 nan 8.250 nan 0.000 0.466 512 S N 0.573 116.256 115.700 -0.029 0.000 2.556 512 S HA 0.021 4.490 4.470 -0.001 0.000 0.216 512 S C 0.366 174.976 174.600 0.016 0.000 0.970 512 S CA -0.326 57.886 58.200 0.020 0.000 0.912 512 S CB 0.240 63.495 63.200 0.091 0.000 0.790 512 S HN 0.304 nan 8.310 nan 0.000 0.504 513 S N 1.732 117.383 115.700 -0.082 0.000 2.616 513 S HA 0.521 4.990 4.470 -0.001 0.000 0.277 513 S C -0.539 173.888 174.600 -0.289 0.000 1.234 513 S CA -0.572 57.614 58.200 -0.023 0.000 1.028 513 S CB 0.920 64.133 63.200 0.022 0.000 0.988 513 S HN 0.391 nan 8.310 nan 0.000 0.522 514 H N 0.118 119.199 119.070 0.019 0.000 2.949 514 H HA 0.634 5.190 4.556 -0.001 0.000 0.356 514 H C -1.483 173.717 175.328 -0.215 0.000 1.212 514 H CA -0.789 55.174 56.048 -0.142 0.000 1.136 514 H CB 1.791 31.436 29.762 -0.195 0.000 1.869 514 H HN 0.564 nan 8.280 nan 0.000 0.556 515 L N 1.672 122.681 121.223 -0.357 0.000 2.406 515 L HA 0.460 4.800 4.340 -0.001 0.000 0.272 515 L C -1.916 174.642 176.870 -0.520 0.000 0.980 515 L CA -0.332 54.349 54.840 -0.265 0.000 0.831 515 L CB 0.855 42.830 42.059 -0.140 0.000 1.253 515 L HN 0.365 nan 8.230 nan 0.000 0.406 516 F N 3.558 123.520 119.950 0.020 0.000 2.551 516 F HA 0.834 5.360 4.527 -0.001 0.000 0.316 516 F C 0.464 176.323 175.800 0.098 0.000 1.089 516 F CA -0.652 57.355 58.000 0.010 0.000 0.915 516 F CB 2.004 40.991 39.000 -0.022 0.000 1.186 516 F HN 0.624 nan 8.300 nan 0.000 0.456 517 A N 3.137 126.120 122.820 0.273 0.000 2.310 517 A HA 0.829 5.149 4.320 -0.001 0.000 0.299 517 A C -1.092 176.694 177.584 0.337 0.000 1.147 517 A CA -0.324 51.892 52.037 0.298 0.000 0.818 517 A CB 0.350 19.452 19.000 0.170 0.000 1.096 517 A HN 0.798 nan 8.150 nan 0.000 0.495 518 F N 0.346 120.341 119.950 0.074 0.000 2.686 518 F HA 0.786 5.312 4.527 -0.001 0.000 0.311 518 F C -1.231 174.494 175.800 -0.125 0.000 1.128 518 F CA -1.121 56.805 58.000 -0.123 0.000 0.946 518 F CB 1.767 40.522 39.000 -0.408 0.000 1.336 518 F HN 0.458 nan 8.300 nan 0.000 0.457 519 N N 1.368 119.875 118.700 -0.321 0.000 2.572 519 N HA 0.290 5.029 4.740 -0.001 0.000 0.287 519 N C -1.806 173.708 175.510 0.006 0.000 1.136 519 N CA -0.612 52.262 53.050 -0.292 0.000 0.900 519 N CB 0.789 39.212 38.487 -0.106 0.000 1.484 519 N HN 0.821 nan 8.380 nan 0.000 0.526 520 Y N 0.661 120.960 120.300 -0.003 0.000 2.584 520 Y HA 0.370 4.919 4.550 -0.001 0.000 0.254 520 Y C 1.643 177.466 175.900 -0.129 0.000 1.177 520 Y CA -0.892 57.194 58.100 -0.023 0.000 1.216 520 Y CB 1.117 39.587 38.460 0.018 0.000 1.172 520 Y HN 0.509 nan 8.280 nan 0.000 0.529 521 G N -0.604 108.209 108.800 0.021 0.000 2.651 521 G HA2 0.006 3.965 3.960 -0.001 0.000 0.260 521 G HA3 0.006 3.965 3.960 -0.001 0.000 0.260 521 G C -0.006 174.847 174.900 -0.080 0.000 1.216 521 G CA -0.195 44.871 45.100 -0.058 0.000 0.913 521 G HN 0.327 nan 8.290 nan 0.000 0.535 522 Y N -0.503 119.822 120.300 0.042 0.000 2.184 522 Y HA -0.037 4.512 4.550 -0.001 0.000 0.290 522 Y C 2.049 177.955 175.900 0.009 0.000 1.129 522 Y CA 0.757 58.873 58.100 0.027 0.000 1.144 522 Y CB 0.138 38.612 38.460 0.023 0.000 0.995 522 Y HN 0.213 nan 8.280 nan 0.000 0.513 523 Q N 0.899 120.790 119.800 0.151 0.000 2.368 523 Q HA 0.137 4.476 4.340 -0.001 0.000 0.237 523 Q C 0.141 176.141 176.000 0.000 0.000 0.987 523 Q CA -0.135 55.700 55.803 0.054 0.000 0.896 523 Q CB 1.152 29.897 28.738 0.012 0.000 1.241 523 Q HN 0.224 nan 8.270 nan 0.000 0.485 524 S N -0.581 115.104 115.700 -0.025 0.000 2.586 524 S HA 0.623 5.092 4.470 -0.001 0.000 0.274 524 S C 0.104 174.629 174.600 -0.125 0.000 1.281 524 S CA -0.795 57.372 58.200 -0.055 0.000 1.035 524 S CB 1.094 64.277 63.200 -0.029 0.000 0.962 524 S HN 0.443 nan 8.310 nan 0.000 0.512 525 V N -0.727 119.084 119.914 -0.172 0.000 2.680 525 V HA 0.637 4.756 4.120 -0.001 0.000 0.309 525 V C -1.011 175.006 176.094 -0.127 0.000 1.052 525 V CA -1.018 61.129 62.300 -0.256 0.000 0.908 525 V CB 1.605 33.065 31.823 -0.604 0.000 1.001 525 V HN 0.834 nan 8.190 nan 0.000 0.431 526 D N 2.267 122.604 120.400 -0.105 0.000 2.283 526 D HA 0.497 5.136 4.640 -0.001 0.000 0.248 526 D C -0.372 175.887 176.300 -0.068 0.000 1.072 526 D CA -0.130 53.829 54.000 -0.069 0.000 0.929 526 D CB 2.176 42.936 40.800 -0.067 0.000 1.182 526 D HN 0.503 nan 8.370 nan 0.000 0.433 527 V N 3.303 123.150 119.914 -0.110 0.000 2.259 527 V HA 0.083 4.203 4.120 -0.001 0.000 0.267 527 V C 1.600 177.592 176.094 -0.169 0.000 1.051 527 V CA -0.274 61.886 62.300 -0.234 0.000 0.830 527 V CB 0.661 32.334 31.823 -0.251 0.000 1.080 527 V HN 0.481 nan 8.190 nan 0.000 0.467 528 L N 2.452 123.586 121.223 -0.147 0.000 2.012 528 L HA -0.074 4.265 4.340 -0.001 0.000 0.210 528 L C 0.980 177.791 176.870 -0.098 0.000 1.073 528 L CA 1.613 56.396 54.840 -0.095 0.000 0.748 528 L CB -0.014 42.006 42.059 -0.065 0.000 0.891 528 L HN 0.674 nan 8.230 nan 0.000 0.431 529 N N -0.974 117.648 118.700 -0.129 0.000 2.452 529 N HA 0.399 5.139 4.740 -0.001 0.000 0.277 529 N C -1.944 173.475 175.510 -0.150 0.000 1.078 529 N CA -0.486 52.496 53.050 -0.113 0.000 0.947 529 N CB 1.774 40.221 38.487 -0.066 0.000 1.655 529 N HN -0.145 nan 8.380 nan 0.000 0.490 530 L N 2.986 124.117 121.223 -0.153 0.000 2.446 530 L HA 0.654 4.994 4.340 -0.001 0.000 0.268 530 L C -1.617 175.128 176.870 -0.207 0.000 0.975 530 L CA -0.554 54.188 54.840 -0.164 0.000 0.848 530 L CB 1.047 43.007 42.059 -0.166 0.000 1.225 530 L HN 0.478 nan 8.230 nan 0.000 0.410 531 N N 4.365 122.908 118.700 -0.263 0.000 2.424 531 N HA 0.763 5.502 4.740 -0.001 0.000 0.271 531 N C -0.885 174.264 175.510 -0.600 0.000 0.985 531 N CA -0.184 52.524 53.050 -0.571 0.000 0.921 531 N CB 2.130 40.117 38.487 -0.834 0.000 1.149 531 N HN 0.765 nan 8.380 nan 0.000 0.492 532 A N 3.144 125.617 122.820 -0.578 0.000 2.311 532 A HA 0.519 4.839 4.320 -0.001 0.000 0.306 532 A C -0.927 176.453 177.584 -0.340 0.000 1.189 532 A CA -0.787 51.064 52.037 -0.310 0.000 0.791 532 A CB 0.857 19.761 19.000 -0.161 0.000 1.172 532 A HN 0.550 nan 8.150 nan 0.000 0.481 533 W N 2.023 123.306 121.300 -0.030 0.000 2.469 533 W HA 0.387 5.046 4.660 -0.002 0.000 0.320 533 W C -0.005 176.483 176.519 -0.051 0.000 1.086 533 W CA -0.594 56.725 57.345 -0.044 0.000 1.211 533 W CB 1.959 31.381 29.460 -0.062 0.000 1.298 533 W HN 0.604 nan 8.180 nan 0.000 0.525 534 S N 3.245 119.041 115.700 0.159 0.000 2.564 534 S HA 0.276 4.745 4.470 -0.001 0.000 0.278 534 S C 0.281 174.913 174.600 0.053 0.000 1.333 534 S CA -0.279 57.971 58.200 0.083 0.000 1.048 534 S CB 0.444 63.676 63.200 0.053 0.000 0.900 534 S HN 0.174 nan 8.310 nan 0.000 0.505 535 M N 3.677 123.272 119.600 -0.008 0.000 2.149 535 M HA 0.327 4.807 4.480 -0.001 0.000 0.342 535 M C -0.116 176.152 176.300 -0.054 0.000 1.068 535 M CA -0.729 54.491 55.300 -0.134 0.000 0.991 535 M CB 0.981 33.351 32.600 -0.382 0.000 1.596 535 M HN 0.484 nan 8.290 nan 0.000 0.439 536 N N 1.081 119.742 118.700 -0.065 0.000 2.415 536 N HA 0.164 4.903 4.740 -0.001 0.000 0.248 536 N C -0.303 175.231 175.510 0.041 0.000 1.271 536 N CA 0.201 53.248 53.050 -0.006 0.000 0.913 536 N CB 0.659 39.131 38.487 -0.025 0.000 1.129 536 N HN 0.481 nan 8.380 nan 0.000 0.444 537 S N 0.227 115.979 115.700 0.086 0.000 2.565 537 S HA 0.443 4.912 4.470 -0.001 0.000 0.274 537 S C 0.268 174.925 174.600 0.095 0.000 1.309 537 S CA -0.849 57.433 58.200 0.137 0.000 1.043 537 S CB 0.965 64.230 63.200 0.108 0.000 0.939 537 S HN 0.631 nan 8.310 nan 0.000 0.504 538 A N 2.126 125.030 122.820 0.139 0.000 2.286 538 A HA 0.490 4.809 4.320 -0.001 0.000 0.286 538 A C 0.109 177.736 177.584 0.071 0.000 1.097 538 A CA -0.503 51.594 52.037 0.100 0.000 0.821 538 A CB 0.261 19.358 19.000 0.162 0.000 1.076 538 A HN 0.615 nan 8.150 nan 0.000 0.490 539 Q N 1.249 121.074 119.800 0.042 0.000 2.423 539 Q HA 0.487 4.826 4.340 -0.001 0.000 0.235 539 Q C -1.313 174.723 176.000 0.059 0.000 1.100 539 Q CA 0.574 56.391 55.803 0.023 0.000 0.908 539 Q CB -0.405 28.330 28.738 -0.006 0.000 1.312 539 Q HN 0.495 nan 8.270 nan 0.000 0.497 540 I N 2.870 123.469 120.570 0.047 0.000 2.410 540 I HA 0.252 4.422 4.170 -0.001 0.000 0.286 540 I C 0.338 176.412 176.117 -0.070 0.000 1.009 540 I CA -0.823 60.522 61.300 0.074 0.000 1.111 540 I CB 1.598 39.620 38.000 0.038 0.000 1.262 540 I HN 0.698 nan 8.210 nan 0.000 0.443 541 S N 0.000 115.679 115.700 -0.034 0.000 2.498 541 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 541 S CA 0.000 58.120 58.200 -0.133 0.000 1.107 541 S CB 0.000 63.083 63.200 -0.195 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517