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 2qqv_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 YDDGSGMWAC 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 0.000 175.505 175.510 -0.009 0.000 1.280 5 N CA 0.000 53.043 53.050 -0.011 0.000 0.885 5 N CB 0.000 38.469 38.487 -0.030 0.000 1.341 6 Q N 1.584 121.372 119.800 -0.020 0.000 2.607 6 Q HA 0.370 4.734 4.340 0.039 0.000 0.247 6 Q C -1.783 174.168 176.000 -0.082 0.000 1.033 6 Q CA -1.208 54.603 55.803 0.013 0.000 0.769 6 Q CB 1.793 30.570 28.738 0.065 0.000 1.169 6 Q HN 0.463 nan 8.270 nan 0.000 0.508 7 P HA 0.005 nan 4.420 nan 0.000 0.245 7 P C 0.154 177.329 177.300 -0.209 0.000 1.206 7 P CA 0.668 63.584 63.100 -0.306 0.000 0.781 7 P CB 0.312 31.718 31.700 -0.490 0.000 0.994 8 Y N -0.526 119.893 120.300 0.200 0.000 2.481 8 Y HA 0.313 4.886 4.550 0.039 0.000 0.247 8 Y C 1.205 177.322 175.900 0.362 0.000 1.151 8 Y CA -1.064 57.231 58.100 0.325 0.000 1.238 8 Y CB -0.122 38.617 38.460 0.466 0.000 1.179 8 Y HN -0.217 nan 8.280 nan 0.000 0.524 9 R N 1.328 121.974 120.500 0.244 0.000 2.442 9 R HA 0.200 4.563 4.340 0.039 0.000 0.291 9 R C 0.517 176.726 176.300 -0.152 0.000 1.069 9 R CA 0.056 56.080 56.100 -0.127 0.000 1.022 9 R CB 0.520 30.637 30.300 -0.305 0.000 0.976 9 R HN 0.181 nan 8.270 nan 0.000 0.443 10 T N -0.535 113.925 114.554 -0.157 0.000 2.907 10 T HA 0.142 4.515 4.350 0.039 0.000 0.298 10 T C 1.378 176.053 174.700 -0.042 0.000 1.017 10 T CA -0.491 61.575 62.100 -0.056 0.000 1.118 10 T CB 1.670 70.469 68.868 -0.115 0.000 0.948 10 T HN 0.655 nan 8.240 nan 0.000 0.531 11 G N 0.985 109.850 108.800 0.109 0.000 2.408 11 G HA2 0.090 4.073 3.960 0.039 0.000 0.215 11 G HA3 0.090 4.073 3.960 0.039 0.000 0.215 11 G C 0.701 175.727 174.900 0.210 0.000 1.156 11 G CA 0.417 45.624 45.100 0.180 0.000 0.793 11 G HN 0.914 nan 8.290 nan 0.000 0.535 12 F N -1.528 118.510 119.950 0.147 0.000 2.798 12 F HA 0.540 5.090 4.527 0.038 0.000 0.328 12 F C 0.197 176.033 175.800 0.059 0.000 1.098 12 F CA -1.385 56.666 58.000 0.086 0.000 1.172 12 F CB -0.185 38.838 39.000 0.038 0.000 1.072 12 F HN -0.102 nan 8.300 nan 0.000 0.555 13 H N 1.141 120.081 119.070 -0.217 0.000 2.511 13 H HA 0.300 4.879 4.556 0.039 0.000 0.346 13 H C -0.852 174.477 175.328 0.003 0.000 1.128 13 H CA -0.613 55.389 56.048 -0.076 0.000 1.342 13 H CB 0.890 30.549 29.762 -0.172 0.000 1.470 13 H HN 0.197 nan 8.280 nan 0.000 0.546 14 F N 3.748 123.717 119.950 0.031 0.000 2.506 14 F HA 0.161 4.712 4.527 0.040 0.000 0.371 14 F C -0.152 175.522 175.800 -0.209 0.000 1.078 14 F CA -0.027 57.896 58.000 -0.129 0.000 1.195 14 F CB -0.027 38.809 39.000 -0.274 0.000 1.099 14 F HN 0.546 nan 8.300 nan 0.000 0.548 15 Q N 6.184 125.429 119.800 -0.924 0.000 2.391 15 Q HA 0.559 4.922 4.340 0.039 0.000 0.279 15 Q C -3.146 172.308 176.000 -0.911 0.000 1.028 15 Q CA -2.430 52.884 55.803 -0.814 0.000 0.836 15 Q CB 1.826 30.281 28.738 -0.472 0.000 1.414 15 Q HN 0.272 nan 8.270 nan 0.000 0.397 16 P HA 0.146 nan 4.420 nan 0.000 0.272 16 P C -2.037 175.073 177.300 -0.316 0.000 1.230 16 P CA -1.057 61.748 63.100 -0.491 0.000 0.788 16 P CB 0.055 31.577 31.700 -0.297 0.000 0.949 17 P HA -0.142 nan 4.420 nan 0.000 0.217 17 P C -0.150 177.121 177.300 -0.050 0.000 1.148 17 P CA 1.840 64.850 63.100 -0.149 0.000 0.828 17 P CB 0.055 31.700 31.700 -0.092 0.000 0.783 18 K N -3.176 117.288 120.400 0.108 0.000 2.579 18 K HA 0.404 4.748 4.320 0.039 0.000 0.284 18 K C -0.660 176.204 176.600 0.440 0.000 0.990 18 K CA -0.990 55.447 56.287 0.250 0.000 0.880 18 K CB 1.008 33.644 32.500 0.225 0.000 1.488 18 K HN -0.124 nan 8.250 nan 0.000 0.425 19 N N -1.036 117.915 118.700 0.418 0.000 4.978 19 N HA -0.316 4.447 4.740 0.039 0.000 0.303 19 N C -0.989 174.787 175.510 0.443 0.000 0.902 19 N CA 0.633 53.904 53.050 0.369 0.000 1.111 19 N CB -0.743 37.842 38.487 0.164 0.000 0.776 19 N HN 0.802 nan 8.380 nan 0.000 0.578 20 W N 1.439 122.810 121.300 0.119 0.000 2.381 20 W HA 0.378 5.061 4.660 0.039 0.000 0.321 20 W C -0.091 176.589 176.519 0.269 0.000 1.407 20 W CA -0.392 57.042 57.345 0.149 0.000 1.274 20 W CB -0.052 29.422 29.460 0.023 0.000 1.310 20 W HN 0.684 nan 8.180 nan 0.000 0.551 21 M N 6.458 125.878 119.600 -0.299 0.000 2.508 21 M HA 0.246 4.750 4.480 0.039 0.000 0.327 21 M C -0.733 175.021 176.300 -0.909 0.000 1.160 21 M CA -0.320 54.807 55.300 -0.288 0.000 0.980 21 M CB 1.747 34.274 32.600 -0.121 0.000 1.693 21 M HN 0.519 nan 8.290 nan 0.000 0.452 22 N N 0.550 118.808 118.700 -0.737 0.000 3.464 22 N HA 0.393 5.156 4.740 0.039 0.000 0.335 22 N C -1.510 173.236 175.510 -1.274 0.000 1.489 22 N CA -0.357 51.937 53.050 -1.261 0.000 0.652 22 N CB 0.663 38.906 38.487 -0.407 0.000 2.334 22 N HN 0.648 nan 8.380 nan 0.000 0.560 23 D N 1.603 121.519 120.400 -0.806 0.000 2.423 23 D HA 0.159 4.823 4.640 0.039 0.000 0.238 23 D C -2.139 173.972 176.300 -0.315 0.000 1.142 23 D CA -0.444 53.308 54.000 -0.413 0.000 0.884 23 D CB 0.031 40.685 40.800 -0.242 0.000 1.199 23 D HN 0.284 nan 8.370 nan 0.000 0.438 24 P HA 0.110 nan 4.420 nan 0.000 0.276 24 P C -0.871 176.234 177.300 -0.325 0.000 1.235 24 P CA -0.191 62.726 63.100 -0.305 0.000 0.772 24 P CB 0.604 32.154 31.700 -0.249 0.000 0.871 25 N N 1.075 119.509 118.700 -0.443 0.000 2.321 25 N HA 0.386 5.149 4.740 0.039 0.000 0.299 25 N C 0.234 175.565 175.510 -0.298 0.000 1.048 25 N CA -0.827 51.860 53.050 -0.605 0.000 0.836 25 N CB 1.077 38.649 38.487 -1.524 0.000 1.269 25 N HN 0.537 nan 8.380 nan 0.000 0.486 26 G N 2.823 111.575 108.800 -0.081 0.000 2.332 26 G HA2 -0.198 3.785 3.960 0.039 0.000 0.277 26 G HA3 -0.198 3.785 3.960 0.039 0.000 0.277 26 G C -2.477 172.519 174.900 0.160 0.000 0.884 26 G CA -0.543 44.640 45.100 0.138 0.000 1.251 26 G HN 0.381 nan 8.290 nan 0.000 0.462 27 P HA 0.508 nan 4.420 nan 0.000 0.275 27 P C 0.241 177.390 177.300 -0.252 0.000 1.228 27 P CA -0.128 62.864 63.100 -0.179 0.000 0.786 27 P CB 1.219 32.819 31.700 -0.168 0.000 0.927 28 M N 1.107 120.451 119.600 -0.427 0.000 3.012 28 M HA 0.549 5.052 4.480 0.039 0.000 0.272 28 M C -1.757 174.564 176.300 0.036 0.000 1.187 28 M CA -1.060 54.160 55.300 -0.135 0.000 0.813 28 M CB 1.939 34.636 32.600 0.161 0.000 1.626 28 M HN 0.141 nan 8.290 nan 0.000 0.507 29 I N 1.586 122.326 120.570 0.284 0.000 2.436 29 I HA 0.659 4.853 4.170 0.039 0.000 0.289 29 I C -2.222 174.068 176.117 0.288 0.000 1.010 29 I CA -0.587 60.869 61.300 0.259 0.000 1.098 29 I CB 1.585 39.682 38.000 0.162 0.000 1.266 29 I HN 0.777 nan 8.210 nan 0.000 0.434 30 Y N 7.172 127.563 120.300 0.152 0.000 2.406 30 Y HA 0.378 4.949 4.550 0.036 0.000 0.340 30 Y C 0.063 175.999 175.900 0.060 0.000 0.975 30 Y CA -1.050 57.103 58.100 0.088 0.000 1.056 30 Y CB 1.300 39.780 38.460 0.033 0.000 1.210 30 Y HN 0.619 nan 8.280 nan 0.000 0.448 31 K N 4.639 124.647 120.400 -0.655 0.000 3.177 31 K HA -0.251 4.092 4.320 0.039 0.000 0.266 31 K C 0.858 177.308 176.600 -0.250 0.000 0.937 31 K CA 1.131 57.110 56.287 -0.513 0.000 0.702 31 K CB -1.624 30.493 32.500 -0.639 0.000 1.365 31 K HN 1.347 nan 8.250 nan 0.000 0.466 32 G N -0.635 108.046 108.800 -0.200 0.000 2.162 32 G HA2 -0.308 3.675 3.960 0.039 0.000 0.260 32 G HA3 -0.308 3.675 3.960 0.039 0.000 0.260 32 G C 0.076 174.833 174.900 -0.238 0.000 0.976 32 G CA 0.469 45.448 45.100 -0.201 0.000 0.655 32 G HN 0.331 nan 8.290 nan 0.000 0.533 33 I N 0.269 120.742 120.570 -0.161 0.000 2.433 33 I HA 0.552 4.746 4.170 0.039 0.000 0.292 33 I C -0.049 176.028 176.117 -0.066 0.000 1.001 33 I CA -1.392 59.835 61.300 -0.122 0.000 1.119 33 I CB 1.231 39.212 38.000 -0.032 0.000 1.289 33 I HN 0.066 nan 8.210 nan 0.000 0.438 34 Y N 5.010 125.336 120.300 0.043 0.000 2.319 34 Y HA 0.333 4.907 4.550 0.039 0.000 0.328 34 Y C 0.393 176.326 175.900 0.054 0.000 1.133 34 Y CA 0.060 58.230 58.100 0.116 0.000 1.265 34 Y CB 0.389 38.909 38.460 0.099 0.000 1.218 34 Y HN 0.400 nan 8.280 nan 0.000 0.508 35 H N 3.867 123.130 119.070 0.323 0.000 2.538 35 H HA 0.475 5.054 4.556 0.039 0.000 0.353 35 H C -1.392 173.945 175.328 0.014 0.000 1.109 35 H CA -0.901 55.281 56.048 0.223 0.000 1.192 35 H CB 2.550 32.443 29.762 0.217 0.000 1.555 35 H HN 0.496 nan 8.280 nan 0.000 0.518 36 L N 4.206 125.376 121.223 -0.088 0.000 2.446 36 L HA 0.363 4.726 4.340 0.039 0.000 0.268 36 L C -1.591 175.023 176.870 -0.427 0.000 0.975 36 L CA -0.340 54.196 54.840 -0.506 0.000 0.848 36 L CB 0.503 41.812 42.059 -1.250 0.000 1.225 36 L HN 0.315 nan 8.230 nan 0.000 0.410 37 F N 4.371 124.207 119.950 -0.188 0.000 2.380 37 F HA 0.735 5.284 4.527 0.038 0.000 0.319 37 F C -0.305 175.283 175.800 -0.354 0.000 1.113 37 F CA -0.103 57.757 58.000 -0.234 0.000 1.056 37 F CB 1.127 39.981 39.000 -0.243 0.000 1.289 37 F HN 0.507 nan 8.300 nan 0.000 0.515 38 Y N -2.312 117.799 120.300 -0.316 0.000 2.662 38 Y HA 0.346 4.919 4.550 0.038 0.000 0.334 38 Y C -1.564 174.130 175.900 -0.343 0.000 1.185 38 Y CA -1.793 56.051 58.100 -0.427 0.000 1.074 38 Y CB 0.463 38.725 38.460 -0.331 0.000 1.330 38 Y HN 0.391 nan 8.280 nan 0.000 0.458 39 Q N 1.648 121.323 119.800 -0.209 0.000 2.297 39 Q HA 0.128 4.491 4.340 0.039 0.000 0.267 39 Q C -1.538 174.562 176.000 0.167 0.000 1.006 39 Q CA 0.580 56.322 55.803 -0.103 0.000 0.896 39 Q CB 1.412 30.079 28.738 -0.117 0.000 1.186 39 Q HN 0.860 nan 8.270 nan 0.000 0.392 40 W N 3.482 124.746 121.300 -0.060 0.000 3.138 40 W HA 0.245 4.928 4.660 0.039 0.000 0.331 40 W C -1.046 175.487 176.519 0.024 0.000 1.166 40 W CA -0.847 56.522 57.345 0.040 0.000 1.212 40 W CB 1.261 30.709 29.460 -0.020 0.000 1.399 40 W HN 0.404 nan 8.180 nan 0.000 0.514 41 N N 6.693 125.128 118.700 -0.441 0.000 2.462 41 N HA 0.299 5.062 4.740 0.039 0.000 0.242 41 N C -1.673 173.112 175.510 -1.209 0.000 1.010 41 N CA -2.116 50.568 53.050 -0.610 0.000 0.939 41 N CB 1.858 40.142 38.487 -0.338 0.000 1.127 41 N HN 0.167 nan 8.380 nan 0.000 0.509 42 P HA -0.030 nan 4.420 nan 0.000 0.242 42 P C -0.467 176.463 177.300 -0.617 0.000 1.197 42 P CA 0.834 63.163 63.100 -1.285 0.000 0.765 42 P CB -0.136 31.234 31.700 -0.550 0.000 0.936 43 K N -1.752 118.373 120.400 -0.458 0.000 3.199 43 K HA 0.540 4.884 4.320 0.039 0.000 0.181 43 K C -0.171 176.324 176.600 -0.176 0.000 1.067 43 K CA -0.653 55.492 56.287 -0.237 0.000 1.021 43 K CB 0.279 32.675 32.500 -0.174 0.000 0.688 43 K HN -0.013 nan 8.250 nan 0.000 0.415 44 G N -0.155 108.538 108.800 -0.178 0.000 2.596 44 G HA2 0.470 4.453 3.960 0.039 0.000 0.296 44 G HA3 0.470 4.453 3.960 0.039 0.000 0.296 44 G C -0.448 174.449 174.900 -0.006 0.000 1.513 44 G CA -0.353 44.689 45.100 -0.095 0.000 0.851 44 G HN 0.104 nan 8.290 nan 0.000 0.548 45 A N 0.018 122.874 122.820 0.060 0.000 2.251 45 A HA 0.548 4.891 4.320 0.039 0.000 0.209 45 A C 1.166 178.907 177.584 0.262 0.000 1.187 45 A CA 1.149 53.302 52.037 0.193 0.000 0.823 45 A CB -0.507 18.571 19.000 0.129 0.000 0.846 45 A HN 1.963 nan 8.150 nan 0.000 0.486 46 V N -5.772 114.151 119.914 0.015 0.000 3.096 46 V HA 0.650 4.793 4.120 0.039 0.000 0.319 46 V C -0.032 175.597 176.094 -0.775 0.000 1.103 46 V CA -1.763 60.364 62.300 -0.289 0.000 1.016 46 V CB 0.725 32.420 31.823 -0.212 0.000 1.090 46 V HN 0.403 nan 8.190 nan 0.000 0.449 47 W N 1.282 121.643 121.300 -1.564 0.000 2.223 47 W HA 0.551 5.234 4.660 0.038 0.000 0.334 47 W C 0.524 176.700 176.519 -0.572 0.000 1.334 47 W CA 1.927 58.465 57.345 -1.346 0.000 1.246 47 W CB 0.202 29.058 29.460 -1.007 0.000 1.184 47 W HN 1.269 nan 8.180 nan 0.000 0.563 48 G N 4.280 112.506 108.800 -0.956 0.000 2.358 48 G HA2 0.033 4.016 3.960 0.039 0.000 0.301 48 G HA3 0.033 4.016 3.960 0.039 0.000 0.301 48 G C -0.622 173.909 174.900 -0.615 0.000 1.539 48 G CA -0.677 44.018 45.100 -0.675 0.000 0.893 48 G HN 0.747 nan 8.290 nan 0.000 0.636 49 N N -1.211 117.245 118.700 -0.407 0.000 2.698 49 N HA -0.207 4.556 4.740 0.039 0.000 0.258 49 N C 0.127 175.477 175.510 -0.267 0.000 0.978 49 N CA 1.147 54.042 53.050 -0.258 0.000 0.777 49 N CB -0.669 37.698 38.487 -0.200 0.000 0.907 49 N HN 0.776 nan 8.380 nan 0.000 0.543 50 I N 0.635 121.002 120.570 -0.338 0.000 2.556 50 I HA 0.098 4.291 4.170 0.039 0.000 0.284 50 I C 0.570 176.704 176.117 0.028 0.000 1.114 50 I CA -0.310 60.843 61.300 -0.244 0.000 1.418 50 I CB 1.026 38.789 38.000 -0.395 0.000 1.394 50 I HN 0.158 nan 8.210 nan 0.000 0.552 51 V N 3.961 123.928 119.914 0.089 0.000 3.102 51 V HA 0.545 4.688 4.120 0.039 0.000 0.312 51 V C -1.342 174.905 176.094 0.254 0.000 1.135 51 V CA -0.983 61.450 62.300 0.222 0.000 1.022 51 V CB 1.572 33.532 31.823 0.228 0.000 1.056 51 V HN 0.700 nan 8.190 nan 0.000 0.436 52 W N 2.330 123.610 121.300 -0.033 0.000 2.422 52 W HA 0.755 5.438 4.660 0.038 0.000 0.349 52 W C 0.733 177.202 176.519 -0.084 0.000 1.062 52 W CA 0.313 57.589 57.345 -0.115 0.000 1.497 52 W CB 0.261 29.558 29.460 -0.272 0.000 1.407 52 W HN 0.976 nan 8.180 nan 0.000 0.393 53 A N 2.751 125.455 122.820 -0.194 0.000 2.366 53 A HA 0.406 4.749 4.320 0.039 0.000 0.249 53 A C -0.938 176.456 177.584 -0.317 0.000 1.084 53 A CA 0.086 51.869 52.037 -0.422 0.000 0.794 53 A CB 0.413 18.759 19.000 -1.090 0.000 1.034 53 A HN 0.549 nan 8.150 nan 0.000 0.491 54 H N -0.257 118.665 119.070 -0.247 0.000 2.877 54 H HA 0.656 5.235 4.556 0.039 0.000 0.347 54 H C -1.101 174.205 175.328 -0.036 0.000 1.042 54 H CA -0.463 55.505 56.048 -0.133 0.000 1.276 54 H CB 1.456 31.265 29.762 0.078 0.000 1.681 54 H HN 0.540 nan 8.280 nan 0.000 0.521 55 S N 2.431 118.074 115.700 -0.094 0.000 2.595 55 S HA 0.696 5.190 4.470 0.039 0.000 0.281 55 S C -0.858 173.761 174.600 0.033 0.000 1.117 55 S CA -0.602 57.556 58.200 -0.069 0.000 0.873 55 S CB 1.936 65.262 63.200 0.210 0.000 1.108 55 S HN 0.803 nan 8.310 nan 0.000 0.477 56 T N -1.453 113.175 114.554 0.124 0.000 2.906 56 T HA 0.871 5.244 4.350 0.039 0.000 0.295 56 T C -0.563 174.121 174.700 -0.027 0.000 1.075 56 T CA -0.799 61.369 62.100 0.113 0.000 1.005 56 T CB 1.813 70.675 68.868 -0.010 0.000 1.136 56 T HN 0.527 nan 8.240 nan 0.000 0.498 57 S N -0.711 114.809 115.700 -0.299 0.000 2.596 57 S HA 0.652 5.145 4.470 0.039 0.000 0.270 57 S C 0.595 175.093 174.600 -0.169 0.000 1.155 57 S CA 0.015 57.886 58.200 -0.549 0.000 0.827 57 S CB 1.560 63.819 63.200 -1.569 0.000 1.130 57 S HN 1.265 nan 8.310 nan 0.000 0.467 58 T N -1.146 113.333 114.554 -0.124 0.000 3.010 58 T HA 0.268 4.641 4.350 0.039 0.000 0.257 58 T C 0.250 175.020 174.700 0.116 0.000 1.020 58 T CA 0.837 62.958 62.100 0.035 0.000 0.938 58 T CB -0.316 68.541 68.868 -0.017 0.000 1.049 58 T HN 0.647 nan 8.240 nan 0.000 0.522 59 D N 0.102 120.456 120.400 -0.077 0.000 2.516 59 D HA 0.262 4.925 4.640 0.039 0.000 0.241 59 D C 0.993 177.118 176.300 -0.291 0.000 1.246 59 D CA -0.484 53.440 54.000 -0.127 0.000 0.808 59 D CB -0.503 40.222 40.800 -0.125 0.000 1.147 59 D HN 0.289 nan 8.370 nan 0.000 0.527 60 L N -0.278 120.653 121.223 -0.485 0.000 4.813 60 L HA -0.253 4.110 4.340 0.039 0.000 0.434 60 L C 0.411 177.267 176.870 -0.023 0.000 1.106 60 L CA 0.467 55.102 54.840 -0.341 0.000 0.991 60 L CB -0.990 40.877 42.059 -0.319 0.000 2.005 60 L HN 0.253 nan 8.230 nan 0.000 0.817 61 I N -1.562 118.884 120.570 -0.206 0.000 3.570 61 I HA 0.154 4.347 4.170 0.039 0.000 0.270 61 I C 1.125 177.269 176.117 0.046 0.000 1.162 61 I CA 0.883 62.206 61.300 0.038 0.000 1.413 61 I CB -0.188 37.793 38.000 -0.032 0.000 1.437 61 I HN 0.179 nan 8.210 nan 0.000 0.457 62 N N 0.874 119.442 118.700 -0.220 0.000 2.426 62 N HA 0.216 4.979 4.740 0.039 0.000 0.275 62 N C -1.472 173.839 175.510 -0.333 0.000 1.019 62 N CA -0.153 52.826 53.050 -0.120 0.000 0.941 62 N CB 1.325 39.755 38.487 -0.094 0.000 1.123 62 N HN 0.036 nan 8.380 nan 0.000 0.486 63 W N 0.619 121.953 121.300 0.057 0.000 2.702 63 W HA 0.343 5.025 4.660 0.038 0.000 0.331 63 W C -0.369 176.116 176.519 -0.056 0.000 1.049 63 W CA -0.656 56.717 57.345 0.047 0.000 1.230 63 W CB 1.386 30.984 29.460 0.230 0.000 1.408 63 W HN 0.209 nan 8.180 nan 0.000 0.492 64 D N 4.021 124.450 120.400 0.048 0.000 2.217 64 D HA 0.294 4.957 4.640 0.039 0.000 0.243 64 D C -2.286 173.778 176.300 -0.393 0.000 1.054 64 D CA -1.321 52.568 54.000 -0.185 0.000 0.838 64 D CB 1.807 42.437 40.800 -0.283 0.000 1.162 64 D HN -0.085 nan 8.370 nan 0.000 0.472 65 P HA 0.210 nan 4.420 nan 0.000 0.277 65 P C -0.666 176.238 177.300 -0.661 0.000 1.240 65 P CA -0.079 62.785 63.100 -0.392 0.000 0.798 65 P CB 1.335 32.897 31.700 -0.230 0.000 0.979 66 H N -0.422 118.565 119.070 -0.138 0.000 3.012 66 H HA 0.345 4.925 4.556 0.039 0.000 0.367 66 H C -2.243 173.086 175.328 0.000 0.000 1.211 66 H CA -1.660 54.338 56.048 -0.084 0.000 1.139 66 H CB 1.383 31.064 29.762 -0.135 0.000 1.838 66 H HN 0.325 nan 8.280 nan 0.000 0.550 67 P HA 0.088 nan 4.420 nan 0.000 0.267 67 P C -2.577 174.854 177.300 0.220 0.000 1.200 67 P CA -1.119 62.069 63.100 0.147 0.000 0.772 67 P CB -0.419 31.358 31.700 0.129 0.000 0.855 68 P HA -0.051 nan 4.420 nan 0.000 0.260 68 P C 0.577 178.108 177.300 0.385 0.000 1.172 68 P CA 0.538 63.789 63.100 0.253 0.000 0.760 68 P CB 0.191 32.021 31.700 0.217 0.000 0.773 69 A N 4.551 127.586 122.820 0.358 0.000 1.903 69 A HA 0.089 4.432 4.320 0.039 0.000 0.213 69 A C 0.835 178.427 177.584 0.013 0.000 1.185 69 A CA 0.989 53.174 52.037 0.247 0.000 0.628 69 A CB -0.295 18.739 19.000 0.056 0.000 0.830 69 A HN 0.532 nan 8.150 nan 0.000 0.446 70 I N 1.044 121.531 120.570 -0.138 0.000 2.382 70 I HA 0.475 4.668 4.170 0.039 0.000 0.285 70 I C -1.129 174.894 176.117 -0.157 0.000 1.007 70 I CA -0.628 60.369 61.300 -0.505 0.000 1.142 70 I CB 1.311 38.533 38.000 -1.298 0.000 1.289 70 I HN 0.371 nan 8.210 nan 0.000 0.453 71 F N 4.969 124.829 119.950 -0.150 0.000 2.626 71 F HA 0.747 5.298 4.527 0.039 0.000 0.311 71 F C -3.007 172.758 175.800 -0.058 0.000 1.088 71 F CA -3.406 54.562 58.000 -0.055 0.000 0.949 71 F CB 0.526 39.522 39.000 -0.005 0.000 1.322 71 F HN 0.082 nan 8.300 nan 0.000 0.461 72 P HA 0.145 nan 4.420 nan 0.000 0.262 72 P C 0.101 177.416 177.300 0.026 0.000 1.199 72 P CA 0.447 63.561 63.100 0.024 0.000 0.763 72 P CB 0.891 32.620 31.700 0.049 0.000 0.790 73 S N 1.804 117.426 115.700 -0.130 0.000 2.702 73 S HA 0.542 5.035 4.470 0.039 0.000 0.257 73 S C -0.007 174.459 174.600 -0.224 0.000 0.981 73 S CA 0.033 58.160 58.200 -0.121 0.000 1.414 73 S CB -0.120 62.990 63.200 -0.150 0.000 1.239 73 S HN 0.533 nan 8.310 nan 0.000 0.676 74 A N 1.336 123.930 122.820 -0.377 0.000 2.609 74 A HA 0.860 5.204 4.320 0.039 0.000 0.291 74 A C -2.677 174.532 177.584 -0.624 0.000 1.096 74 A CA -1.536 50.148 52.037 -0.588 0.000 0.684 74 A CB 0.386 18.762 19.000 -1.039 0.000 1.282 74 A HN -0.012 nan 8.150 nan 0.000 0.412 75 P HA -0.144 nan 4.420 nan 0.000 0.216 75 P C 1.074 178.229 177.300 -0.241 0.000 1.153 75 P CA 1.985 64.924 63.100 -0.269 0.000 0.858 75 P CB -0.202 31.430 31.700 -0.113 0.000 0.789 76 F N -0.543 119.365 119.950 -0.070 0.000 2.699 76 F HA 0.086 4.637 4.527 0.040 0.000 0.298 76 F C 0.664 176.395 175.800 -0.114 0.000 1.154 76 F CA 0.635 58.573 58.000 -0.103 0.000 1.457 76 F CB -1.065 37.856 39.000 -0.131 0.000 1.106 76 F HN -0.005 nan 8.300 nan 0.000 0.585 77 D N -0.740 119.561 120.400 -0.166 0.000 2.651 77 D HA 0.029 4.692 4.640 0.039 0.000 0.280 77 D C 1.169 177.414 176.300 -0.092 0.000 1.496 77 D CA -0.245 53.730 54.000 -0.042 0.000 0.792 77 D CB -1.272 39.618 40.800 0.149 0.000 1.144 77 D HN 0.289 nan 8.370 nan 0.000 0.470 78 I N 1.108 121.596 120.570 -0.136 0.000 2.335 78 I HA -0.133 4.060 4.170 0.039 0.000 0.251 78 I C 0.830 176.919 176.117 -0.047 0.000 1.129 78 I CA 1.339 62.578 61.300 -0.101 0.000 1.402 78 I CB -0.031 37.905 38.000 -0.106 0.000 1.069 78 I HN -0.019 nan 8.210 nan 0.000 0.424 79 N N 0.773 119.446 118.700 -0.045 0.000 2.235 79 N HA 0.325 5.088 4.740 0.039 0.000 0.209 79 N C 0.121 175.645 175.510 0.023 0.000 1.122 79 N CA 0.776 53.820 53.050 -0.010 0.000 0.845 79 N CB 0.827 39.305 38.487 -0.016 0.000 1.004 79 N HN 0.413 nan 8.380 nan 0.000 0.499 80 G N -0.410 108.401 108.800 0.018 0.000 2.352 80 G HA2 0.052 4.035 3.960 0.039 0.000 0.303 80 G HA3 0.052 4.035 3.960 0.039 0.000 0.303 80 G C -1.551 173.434 174.900 0.142 0.000 1.593 80 G CA -0.786 44.386 45.100 0.120 0.000 0.963 80 G HN 0.119 nan 8.290 nan 0.000 0.685 81 C N 2.230 121.725 119.300 0.324 0.000 2.357 81 C HA 0.571 5.054 4.460 0.039 0.000 0.300 81 C C 0.302 175.720 174.990 0.712 0.000 1.074 81 C CA -1.089 58.165 59.018 0.392 0.000 1.566 81 C CB -1.586 26.234 27.740 0.134 0.000 1.791 81 C HN 0.544 nan 8.230 nan 0.000 0.415 82 W N 1.316 122.861 121.300 0.410 0.000 1.916 82 W HA 0.392 5.075 4.660 0.038 0.000 0.403 82 W C 0.964 177.757 176.519 0.457 0.000 1.711 82 W CA -0.701 56.864 57.345 0.367 0.000 1.879 82 W CB -0.269 29.361 29.460 0.284 0.000 1.359 82 W HN 0.380 nan 8.180 nan 0.000 0.718 83 S N -0.046 115.936 115.700 0.471 0.000 2.580 83 S HA 0.533 5.026 4.470 0.039 0.000 0.266 83 S C 0.331 175.179 174.600 0.415 0.000 1.354 83 S CA 0.554 58.906 58.200 0.254 0.000 1.008 83 S CB 0.449 63.695 63.200 0.077 0.000 0.898 83 S HN 0.664 nan 8.310 nan 0.000 0.555 84 G N 0.051 109.075 108.800 0.373 0.000 2.490 84 G HA2 0.568 4.551 3.960 0.039 0.000 0.308 84 G HA3 0.568 4.551 3.960 0.039 0.000 0.308 84 G C -1.594 173.482 174.900 0.294 0.000 1.286 84 G CA -0.592 44.739 45.100 0.386 0.000 0.825 84 G HN 0.694 nan 8.290 nan 0.000 0.479 85 S N -1.510 114.336 115.700 0.244 0.000 2.661 85 S HA 0.852 5.345 4.470 0.039 0.000 0.285 85 S C -0.513 174.181 174.600 0.157 0.000 1.138 85 S CA -0.012 58.305 58.200 0.195 0.000 0.855 85 S CB 1.805 65.117 63.200 0.186 0.000 1.136 85 S HN 1.709 nan 8.310 nan 0.000 0.484 86 A N 1.425 124.343 122.820 0.163 0.000 2.318 86 A HA 0.731 5.074 4.320 0.039 0.000 0.317 86 A C -0.280 177.412 177.584 0.181 0.000 1.159 86 A CA -0.542 51.578 52.037 0.138 0.000 0.799 86 A CB 0.469 19.555 19.000 0.144 0.000 1.194 86 A HN 0.576 nan 8.150 nan 0.000 0.479 87 T N 2.579 117.217 114.554 0.141 0.000 2.867 87 T HA 0.536 4.910 4.350 0.039 0.000 0.282 87 T C -0.138 174.603 174.700 0.067 0.000 1.000 87 T CA 0.046 62.227 62.100 0.135 0.000 1.042 87 T CB 0.740 69.656 68.868 0.080 0.000 0.973 87 T HN 0.426 nan 8.240 nan 0.000 0.465 88 I N 3.955 124.608 120.570 0.139 0.000 2.330 88 I HA 0.205 4.398 4.170 0.039 0.000 0.286 88 I C -0.214 175.977 176.117 0.122 0.000 1.025 88 I CA -0.895 60.485 61.300 0.132 0.000 1.197 88 I CB 0.705 38.840 38.000 0.225 0.000 1.358 88 I HN 0.241 nan 8.210 nan 0.000 0.467 89 L N 9.197 130.424 121.223 0.006 0.000 2.483 89 L HA 0.087 4.451 4.340 0.039 0.000 0.275 89 L C -0.822 176.144 176.870 0.161 0.000 1.220 89 L CA -1.298 53.573 54.840 0.052 0.000 0.833 89 L CB -0.237 41.768 42.059 -0.090 0.000 1.102 89 L HN 0.388 nan 8.230 nan 0.000 0.490 90 P HA -0.148 nan 4.420 nan 0.000 0.222 90 P C 0.618 177.994 177.300 0.127 0.000 1.142 90 P CA 1.115 64.321 63.100 0.177 0.000 0.788 90 P CB 0.029 31.834 31.700 0.175 0.000 0.767 91 N N -0.990 117.776 118.700 0.110 0.000 2.314 91 N HA 0.059 4.823 4.740 0.039 0.000 0.200 91 N C 1.338 176.904 175.510 0.092 0.000 1.135 91 N CA 0.559 53.660 53.050 0.084 0.000 0.835 91 N CB -0.674 37.851 38.487 0.064 0.000 0.989 91 N HN 0.204 nan 8.380 nan 0.000 0.478 92 G N 0.451 109.322 108.800 0.119 0.000 2.253 92 G HA2 -0.370 3.613 3.960 0.039 0.000 0.251 92 G HA3 -0.370 3.613 3.960 0.039 0.000 0.251 92 G C 0.093 175.127 174.900 0.224 0.000 0.998 92 G CA 0.414 45.615 45.100 0.168 0.000 0.621 92 G HN 0.692 nan 8.290 nan 0.000 0.524 93 K N 2.759 123.224 120.400 0.108 0.000 2.447 93 K HA 0.447 4.790 4.320 0.039 0.000 0.281 93 K C -2.189 174.373 176.600 -0.064 0.000 1.031 93 K CA -1.155 55.129 56.287 -0.005 0.000 1.019 93 K CB 0.799 33.266 32.500 -0.055 0.000 0.918 93 K HN 0.246 nan 8.250 nan 0.000 0.476 94 P HA 0.203 nan 4.420 nan 0.000 0.296 94 P C -1.322 175.936 177.300 -0.071 0.000 1.301 94 P CA -0.744 62.293 63.100 -0.105 0.000 0.862 94 P CB 1.482 33.090 31.700 -0.154 0.000 1.046 95 V N 0.607 120.514 119.914 -0.012 0.000 2.962 95 V HA 0.645 4.788 4.120 0.039 0.000 0.313 95 V C -0.575 175.565 176.094 0.078 0.000 1.099 95 V CA -1.061 61.273 62.300 0.056 0.000 0.971 95 V CB 2.168 33.951 31.823 -0.066 0.000 1.028 95 V HN 0.317 nan 8.190 nan 0.000 0.430 96 I N 3.468 124.061 120.570 0.037 0.000 2.378 96 I HA 0.475 4.668 4.170 0.039 0.000 0.291 96 I C -0.714 175.353 176.117 -0.083 0.000 0.992 96 I CA -0.541 60.676 61.300 -0.138 0.000 1.154 96 I CB 1.853 39.497 38.000 -0.593 0.000 1.315 96 I HN 0.465 nan 8.210 nan 0.000 0.448 97 L N 7.675 128.867 121.223 -0.051 0.000 2.272 97 L HA 0.474 4.837 4.340 0.039 0.000 0.289 97 L C -0.898 175.943 176.870 -0.048 0.000 1.032 97 L CA -0.717 54.047 54.840 -0.126 0.000 0.810 97 L CB 0.884 42.815 42.059 -0.213 0.000 1.205 97 L HN 0.531 nan 8.230 nan 0.000 0.422 98 Y N 0.483 120.639 120.300 -0.241 0.000 2.609 98 Y HA 0.648 5.221 4.550 0.038 0.000 0.342 98 Y C -0.517 175.320 175.900 -0.106 0.000 1.058 98 Y CA -1.134 56.892 58.100 -0.124 0.000 1.055 98 Y CB 1.373 39.655 38.460 -0.296 0.000 1.292 98 Y HN 0.295 nan 8.280 nan 0.000 0.476 99 T N 2.284 116.898 114.554 0.100 0.000 2.743 99 T HA 0.606 4.979 4.350 0.039 0.000 0.293 99 T C 0.148 174.867 174.700 0.032 0.000 0.945 99 T CA -0.122 61.961 62.100 -0.028 0.000 1.030 99 T CB 0.694 69.629 68.868 0.112 0.000 0.912 99 T HN 1.014 nan 8.240 nan 0.000 0.483 100 G N 2.214 110.907 108.800 -0.177 0.000 2.432 100 G HA2 0.640 4.623 3.960 0.039 0.000 0.331 100 G HA3 0.640 4.623 3.960 0.039 0.000 0.331 100 G C -0.785 173.973 174.900 -0.237 0.000 1.170 100 G CA -0.757 44.282 45.100 -0.102 0.000 0.943 100 G HN 0.620 nan 8.290 nan 0.000 0.483 101 I N 2.367 122.774 120.570 -0.272 0.000 2.312 101 I HA 0.232 4.425 4.170 0.039 0.000 0.290 101 I C -0.208 175.824 176.117 -0.141 0.000 1.008 101 I CA -0.973 60.155 61.300 -0.286 0.000 1.226 101 I CB 0.916 38.692 38.000 -0.374 0.000 1.371 101 I HN 0.639 nan 8.210 nan 0.000 0.468 102 D N 7.983 128.321 120.400 -0.104 0.000 2.451 102 D HA 0.290 4.953 4.640 0.039 0.000 0.259 102 D C -2.230 174.038 176.300 -0.054 0.000 1.201 102 D CA -2.011 51.952 54.000 -0.062 0.000 1.028 102 D CB 0.253 41.033 40.800 -0.032 0.000 1.095 102 D HN 0.130 nan 8.370 nan 0.000 0.539 103 P HA -0.082 nan 4.420 nan 0.000 0.223 103 P C 0.422 177.707 177.300 -0.024 0.000 1.144 103 P CA 1.444 64.524 63.100 -0.033 0.000 0.783 103 P CB 0.108 31.790 31.700 -0.029 0.000 0.771 104 K N -1.370 119.015 120.400 -0.025 0.000 2.399 104 K HA 0.152 4.495 4.320 0.039 0.000 0.204 104 K C -0.065 176.522 176.600 -0.021 0.000 1.023 104 K CA -0.204 56.072 56.287 -0.019 0.000 1.127 104 K CB -0.074 32.416 32.500 -0.017 0.000 0.856 104 K HN -0.053 nan 8.250 nan 0.000 0.514 105 N N 2.566 121.247 118.700 -0.033 0.000 2.740 105 N HA -0.180 4.583 4.740 0.039 0.000 0.248 105 N C -0.977 174.500 175.510 -0.055 0.000 1.062 105 N CA 0.997 54.022 53.050 -0.043 0.000 0.704 105 N CB -0.968 37.513 38.487 -0.009 0.000 0.968 105 N HN 0.467 nan 8.380 nan 0.000 0.547 106 Q N 0.161 119.923 119.800 -0.063 0.000 2.245 106 Q HA 0.321 4.684 4.340 0.039 0.000 0.256 106 Q C -0.034 175.913 176.000 -0.088 0.000 0.942 106 Q CA -0.454 55.319 55.803 -0.049 0.000 0.896 106 Q CB 1.336 30.060 28.738 -0.023 0.000 1.272 106 Q HN 0.160 nan 8.270 nan 0.000 0.442 107 Q N 1.604 121.375 119.800 -0.048 0.000 2.337 107 Q HA 0.307 4.670 4.340 0.039 0.000 0.255 107 Q C -0.607 175.416 176.000 0.039 0.000 0.997 107 Q CA -0.398 55.362 55.803 -0.073 0.000 0.925 107 Q CB 0.794 29.532 28.738 -0.001 0.000 1.212 107 Q HN 0.417 nan 8.270 nan 0.000 0.436 108 V N -0.006 119.867 119.914 -0.068 0.000 2.864 108 V HA 0.547 4.690 4.120 0.039 0.000 0.314 108 V C -0.834 175.122 176.094 -0.230 0.000 1.073 108 V CA -1.219 61.044 62.300 -0.063 0.000 0.956 108 V CB 2.217 34.008 31.823 -0.053 0.000 1.023 108 V HN 0.461 nan 8.190 nan 0.000 0.435 109 Q N 3.099 122.723 119.800 -0.293 0.000 2.303 109 Q HA 0.547 4.910 4.340 0.039 0.000 0.257 109 Q C -0.818 174.871 176.000 -0.519 0.000 0.941 109 Q CA 0.009 55.538 55.803 -0.456 0.000 0.931 109 Q CB 1.076 29.487 28.738 -0.546 0.000 1.215 109 Q HN 0.851 nan 8.270 nan 0.000 0.437 110 N N 2.414 120.692 118.700 -0.704 0.000 2.314 110 N HA 0.458 5.221 4.740 0.039 0.000 0.304 110 N C -0.839 174.300 175.510 -0.617 0.000 1.073 110 N CA -0.545 52.039 53.050 -0.777 0.000 0.822 110 N CB 1.963 39.829 38.487 -1.034 0.000 1.280 110 N HN 0.542 nan 8.380 nan 0.000 0.489 111 I N 0.945 121.271 120.570 -0.408 0.000 2.488 111 I HA 0.602 4.796 4.170 0.039 0.000 0.299 111 I C -0.560 175.502 176.117 -0.092 0.000 0.984 111 I CA -0.440 60.746 61.300 -0.191 0.000 1.250 111 I CB 0.939 38.890 38.000 -0.082 0.000 1.389 111 I HN 0.601 nan 8.210 nan 0.000 0.488 112 A N 6.759 129.580 122.820 0.002 0.000 2.486 112 A HA 0.686 5.029 4.320 0.039 0.000 0.300 112 A C -1.340 176.366 177.584 0.203 0.000 1.048 112 A CA -0.588 51.493 52.037 0.072 0.000 0.696 112 A CB 1.414 20.411 19.000 -0.005 0.000 1.278 112 A HN 0.735 nan 8.150 nan 0.000 0.405 113 E N 1.457 121.774 120.200 0.195 0.000 2.393 113 E HA 0.688 5.061 4.350 0.039 0.000 0.273 113 E C -3.061 173.385 176.600 -0.256 0.000 0.918 113 E CA -2.358 54.070 56.400 0.047 0.000 0.773 113 E CB 1.955 31.618 29.700 -0.061 0.000 1.275 113 E HN 0.265 nan 8.360 nan 0.000 0.451 114 P HA 0.015 nan 4.420 nan 0.000 0.269 114 P C -0.102 176.915 177.300 -0.471 0.000 1.209 114 P CA -0.187 62.307 63.100 -1.011 0.000 0.776 114 P CB 0.812 31.888 31.700 -1.040 0.000 0.876 115 K N 1.579 121.758 120.400 -0.369 0.000 2.186 115 K HA -0.001 4.342 4.320 0.039 0.000 0.202 115 K C 0.331 176.838 176.600 -0.155 0.000 1.052 115 K CA 0.798 56.973 56.287 -0.187 0.000 0.965 115 K CB 0.137 32.573 32.500 -0.108 0.000 0.746 115 K HN 0.309 nan 8.250 nan 0.000 0.457 116 N N 0.680 119.271 118.700 -0.181 0.000 2.609 116 N HA 0.099 4.862 4.740 0.039 0.000 0.268 116 N C -0.184 175.252 175.510 -0.124 0.000 1.106 116 N CA -0.153 52.828 53.050 -0.115 0.000 0.823 116 N CB 1.058 39.506 38.487 -0.064 0.000 1.263 116 N HN -0.059 nan 8.380 nan 0.000 0.533 117 L N 1.122 122.278 121.223 -0.111 0.000 2.450 117 L HA 0.004 4.367 4.340 0.039 0.000 0.224 117 L C 1.838 178.744 176.870 0.059 0.000 1.149 117 L CA 1.050 55.854 54.840 -0.061 0.000 0.816 117 L CB -0.103 41.937 42.059 -0.033 0.000 0.932 117 L HN 0.438 nan 8.230 nan 0.000 0.449 118 S N -1.839 113.871 115.700 0.016 0.000 2.478 118 S HA -0.038 4.455 4.470 0.039 0.000 0.222 118 S C 0.674 175.283 174.600 0.015 0.000 1.008 118 S CA -0.038 58.174 58.200 0.019 0.000 0.928 118 S CB -0.216 62.983 63.200 -0.001 0.000 0.781 118 S HN 0.381 nan 8.310 nan 0.000 0.518 119 D N 2.213 122.620 120.400 0.013 0.000 2.338 119 D HA 0.160 4.823 4.640 0.039 0.000 0.255 119 D C -1.941 174.385 176.300 0.045 0.000 1.237 119 D CA -2.067 51.943 54.000 0.016 0.000 0.883 119 D CB 1.208 42.023 40.800 0.024 0.000 1.087 119 D HN 0.046 nan 8.370 nan 0.000 0.485 120 P HA -0.018 nan 4.420 nan 0.000 0.236 120 P C 0.288 177.607 177.300 0.032 0.000 1.177 120 P CA 0.738 63.807 63.100 -0.051 0.000 0.773 120 P CB 0.016 31.531 31.700 -0.308 0.000 0.878 121 Y N -0.837 119.582 120.300 0.198 0.000 2.457 121 Y HA 0.258 4.832 4.550 0.040 0.000 0.263 121 Y C 0.899 177.002 175.900 0.338 0.000 1.164 121 Y CA -0.645 57.566 58.100 0.183 0.000 1.274 121 Y CB -0.335 38.048 38.460 -0.128 0.000 1.097 121 Y HN -0.351 nan 8.280 nan 0.000 0.523 122 L N 1.230 122.658 121.223 0.341 0.000 3.895 122 L HA -0.372 3.991 4.340 0.039 0.000 0.511 122 L C 1.520 178.596 176.870 0.343 0.000 1.222 122 L CA 0.209 55.152 54.840 0.172 0.000 0.739 122 L CB -0.945 41.168 42.059 0.090 0.000 1.425 122 L HN 0.396 nan 8.230 nan 0.000 0.817 123 R N 0.745 121.367 120.500 0.203 0.000 2.066 123 R HA 0.015 4.378 4.340 0.039 0.000 0.232 123 R C 0.442 176.944 176.300 0.338 0.000 1.131 123 R CA 1.387 57.635 56.100 0.247 0.000 0.955 123 R CB 0.256 30.623 30.300 0.112 0.000 0.851 123 R HN 0.576 nan 8.270 nan 0.000 0.432 124 E N -1.058 119.244 120.200 0.170 0.000 2.183 124 E HA 0.162 4.536 4.350 0.039 0.000 0.271 124 E C -1.585 175.037 176.600 0.036 0.000 0.919 124 E CA -0.540 55.972 56.400 0.187 0.000 0.781 124 E CB 1.477 31.241 29.700 0.108 0.000 1.140 124 E HN 0.081 nan 8.360 nan 0.000 0.402 125 W N 2.628 123.910 121.300 -0.030 0.000 2.702 125 W HA 0.314 4.997 4.660 0.037 0.000 0.331 125 W C -0.357 176.095 176.519 -0.110 0.000 1.049 125 W CA -0.800 56.483 57.345 -0.103 0.000 1.230 125 W CB 1.315 30.660 29.460 -0.192 0.000 1.408 125 W HN 0.315 nan 8.180 nan 0.000 0.492 126 K N 1.787 122.236 120.400 0.081 0.000 2.182 126 K HA 0.724 5.068 4.320 0.039 0.000 0.262 126 K C -0.751 175.881 176.600 0.053 0.000 0.957 126 K CA -1.018 55.291 56.287 0.038 0.000 0.842 126 K CB 1.856 34.355 32.500 -0.001 0.000 1.099 126 K HN 0.329 nan 8.250 nan 0.000 0.438 127 K N 1.335 121.772 120.400 0.063 0.000 2.159 127 K HA 0.156 4.499 4.320 0.039 0.000 0.266 127 K C -0.505 176.123 176.600 0.046 0.000 0.975 127 K CA -0.770 55.569 56.287 0.086 0.000 0.865 127 K CB 1.905 34.566 32.500 0.268 0.000 1.087 127 K HN 0.608 nan 8.250 nan 0.000 0.446 128 S N 3.281 118.939 115.700 -0.071 0.000 2.510 128 S HA 0.105 4.598 4.470 0.039 0.000 0.279 128 S C -1.412 173.118 174.600 -0.117 0.000 1.284 128 S CA -1.461 56.685 58.200 -0.090 0.000 1.059 128 S CB 0.399 63.528 63.200 -0.118 0.000 0.901 128 S HN 0.430 nan 8.310 nan 0.000 0.491 129 P HA -0.013 nan 4.420 nan 0.000 0.239 129 P C 0.769 178.060 177.300 -0.015 0.000 1.184 129 P CA 0.591 63.730 63.100 0.065 0.000 0.760 129 P CB 0.027 31.765 31.700 0.064 0.000 0.884 130 L N -1.306 119.857 121.223 -0.100 0.000 2.591 130 L HA 0.100 4.463 4.340 0.039 0.000 0.228 130 L C 0.933 177.678 176.870 -0.209 0.000 1.133 130 L CA -0.064 54.711 54.840 -0.108 0.000 0.880 130 L CB -0.536 41.478 42.059 -0.075 0.000 1.033 130 L HN -0.091 nan 8.230 nan 0.000 0.450 131 N N 1.682 120.113 118.700 -0.448 0.000 2.492 131 N HA 0.124 4.887 4.740 0.039 0.000 0.260 131 N C -2.260 173.010 175.510 -0.400 0.000 1.215 131 N CA -0.866 51.760 53.050 -0.707 0.000 0.923 131 N CB 0.394 37.871 38.487 -1.683 0.000 1.092 131 N HN -0.048 nan 8.380 nan 0.000 0.448 132 P HA 0.145 nan 4.420 nan 0.000 0.284 132 P C 0.499 177.672 177.300 -0.212 0.000 1.253 132 P CA -0.445 62.489 63.100 -0.277 0.000 0.800 132 P CB 1.061 32.670 31.700 -0.152 0.000 0.961 133 L N 1.987 123.059 121.223 -0.253 0.000 2.179 133 L HA 0.151 4.514 4.340 0.039 0.000 0.208 133 L C 1.306 178.089 176.870 -0.145 0.000 1.096 133 L CA 1.701 56.450 54.840 -0.151 0.000 0.779 133 L CB -0.547 41.419 42.059 -0.155 0.000 0.922 133 L HN 0.444 nan 8.230 nan 0.000 0.443 134 M N -1.162 118.290 119.600 -0.246 0.000 2.204 134 M HA 0.616 5.120 4.480 0.039 0.000 0.293 134 M C -0.956 175.343 176.300 -0.002 0.000 0.994 134 M CA -0.109 55.069 55.300 -0.204 0.000 0.925 134 M CB 2.449 34.696 32.600 -0.588 0.000 1.577 134 M HN -0.084 nan 8.290 nan 0.000 0.439 135 A N 3.907 126.786 122.820 0.098 0.000 2.549 135 A HA 0.986 5.329 4.320 0.039 0.000 0.297 135 A C -2.961 174.614 177.584 -0.015 0.000 1.061 135 A CA -1.377 50.717 52.037 0.095 0.000 0.690 135 A CB 1.462 20.473 19.000 0.019 0.000 1.287 135 A HN 0.484 nan 8.150 nan 0.000 0.402 136 P HA 0.457 nan 4.420 nan 0.000 0.272 136 P C -1.174 176.062 177.300 -0.107 0.000 1.223 136 P CA 0.393 63.359 63.100 -0.223 0.000 0.784 136 P CB 0.969 32.539 31.700 -0.216 0.000 0.923 137 D N -0.568 119.768 120.400 -0.106 0.000 2.838 137 D HA 0.387 5.050 4.640 0.039 0.000 0.334 137 D C 0.542 176.805 176.300 -0.062 0.000 1.315 137 D CA -0.740 53.222 54.000 -0.063 0.000 0.917 137 D CB -0.204 40.572 40.800 -0.040 0.000 1.435 137 D HN 0.153 nan 8.370 nan 0.000 0.517 138 A N -0.477 122.317 122.820 -0.043 0.000 2.014 138 A HA 0.093 4.436 4.320 0.039 0.000 0.218 138 A C 1.958 179.518 177.584 -0.040 0.000 1.163 138 A CA 1.642 53.656 52.037 -0.038 0.000 0.652 138 A CB -0.602 18.381 19.000 -0.028 0.000 0.808 138 A HN 0.410 nan 8.150 nan 0.000 0.449 139 V N 1.446 121.336 119.914 -0.039 0.000 2.599 139 V HA -0.130 4.014 4.120 0.039 0.000 0.245 139 V C 2.103 178.166 176.094 -0.052 0.000 1.046 139 V CA 2.179 64.456 62.300 -0.039 0.000 1.065 139 V CB -0.649 31.156 31.823 -0.029 0.000 0.703 139 V HN 0.854 nan 8.190 nan 0.000 0.464 140 N N 1.095 119.756 118.700 -0.065 0.000 2.354 140 N HA 0.093 4.857 4.740 0.039 0.000 0.179 140 N C 1.472 176.921 175.510 -0.102 0.000 1.021 140 N CA 1.288 54.285 53.050 -0.088 0.000 0.887 140 N CB -0.663 37.763 38.487 -0.103 0.000 0.974 140 N HN 0.619 nan 8.380 nan 0.000 0.437 141 G N 0.036 108.778 108.800 -0.096 0.000 2.198 141 G HA2 -0.291 3.692 3.960 0.039 0.000 0.260 141 G HA3 -0.291 3.692 3.960 0.039 0.000 0.260 141 G C -0.200 174.628 174.900 -0.120 0.000 1.025 141 G CA 0.344 45.389 45.100 -0.091 0.000 0.769 141 G HN 0.456 nan 8.290 nan 0.000 0.507 142 I N 0.517 120.979 120.570 -0.180 0.000 2.529 142 I HA 0.072 4.266 4.170 0.039 0.000 0.284 142 I C 0.910 176.915 176.117 -0.185 0.000 1.082 142 I CA -0.736 60.416 61.300 -0.247 0.000 1.406 142 I CB 0.678 38.360 38.000 -0.530 0.000 1.405 142 I HN 0.102 nan 8.210 nan 0.000 0.548 143 N N 5.313 123.939 118.700 -0.124 0.000 2.423 143 N HA 0.007 4.771 4.740 0.039 0.000 0.275 143 N C 0.797 176.292 175.510 -0.025 0.000 1.283 143 N CA 0.249 53.258 53.050 -0.068 0.000 0.932 143 N CB 1.175 39.634 38.487 -0.046 0.000 1.185 143 N HN 0.762 nan 8.380 nan 0.000 0.483 144 A N 3.041 125.842 122.820 -0.031 0.000 2.024 144 A HA -0.121 4.222 4.320 0.039 0.000 0.220 144 A C 2.047 179.663 177.584 0.054 0.000 1.164 144 A CA 1.507 53.546 52.037 0.003 0.000 0.643 144 A CB -0.220 18.769 19.000 -0.017 0.000 0.806 144 A HN 0.630 nan 8.150 nan 0.000 0.451 145 S N -1.104 114.629 115.700 0.055 0.000 2.575 145 S HA 0.193 4.686 4.470 0.039 0.000 0.215 145 S C 0.182 174.868 174.600 0.143 0.000 0.966 145 S CA 0.418 58.670 58.200 0.085 0.000 0.911 145 S CB -0.136 63.102 63.200 0.063 0.000 0.780 145 S HN 0.343 nan 8.310 nan 0.000 0.514 146 S N 1.271 117.066 115.700 0.158 0.000 2.293 146 S HA 0.451 4.944 4.470 0.039 0.000 0.154 146 S C -1.274 173.506 174.600 0.300 0.000 1.602 146 S CA -0.458 57.865 58.200 0.206 0.000 1.260 146 S CB 0.500 63.789 63.200 0.149 0.000 1.270 146 S HN 0.377 nan 8.310 nan 0.000 0.416 147 F N 3.939 123.950 119.950 0.101 0.000 3.020 147 F HA 0.377 4.927 4.527 0.038 0.000 0.389 147 F C -0.399 175.451 175.800 0.084 0.000 1.265 147 F CA -0.405 57.642 58.000 0.078 0.000 1.195 147 F CB 0.315 39.335 39.000 0.033 0.000 2.250 147 F HN 0.462 nan 8.300 nan 0.000 0.627 148 R N 0.635 121.123 120.500 -0.020 0.000 2.869 148 R HA 0.662 5.025 4.340 0.039 0.000 0.263 148 R C -1.438 174.865 176.300 0.005 0.000 1.066 148 R CA -0.662 55.441 56.100 0.004 0.000 0.960 148 R CB 1.233 31.697 30.300 0.273 0.000 1.221 148 R HN 0.143 nan 8.270 nan 0.000 0.474 149 D N 0.260 120.694 120.400 0.056 0.000 3.026 149 D HA -0.068 4.596 4.640 0.039 0.000 0.248 149 D C -2.431 173.882 176.300 0.022 0.000 1.100 149 D CA 0.453 54.499 54.000 0.078 0.000 0.855 149 D CB -0.804 40.059 40.800 0.105 0.000 1.011 149 D HN 0.492 nan 8.370 nan 0.000 0.423 150 P HA 0.125 nan 4.420 nan 0.000 0.275 150 P C 0.574 177.898 177.300 0.040 0.000 1.227 150 P CA -0.144 62.910 63.100 -0.076 0.000 0.781 150 P CB 0.861 32.431 31.700 -0.216 0.000 0.906 151 T N -0.443 114.172 114.554 0.101 0.000 2.770 151 T HA 0.221 4.594 4.350 0.039 0.000 0.281 151 T C 0.320 175.162 174.700 0.237 0.000 0.981 151 T CA -0.457 61.769 62.100 0.210 0.000 0.955 151 T CB -0.544 68.519 68.868 0.324 0.000 1.060 151 T HN 0.265 nan 8.240 nan 0.000 0.531 152 T N 1.836 116.580 114.554 0.315 0.000 2.902 152 T HA 0.466 4.839 4.350 0.039 0.000 0.301 152 T C 0.436 175.436 174.700 0.500 0.000 1.012 152 T CA -0.217 62.101 62.100 0.363 0.000 1.151 152 T CB 0.034 69.125 68.868 0.373 0.000 0.946 152 T HN 0.922 nan 8.240 nan 0.000 0.542 153 A N 3.641 126.749 122.820 0.480 0.000 2.310 153 A HA 0.647 4.991 4.320 0.039 0.000 0.299 153 A C -0.409 177.687 177.584 0.853 0.000 1.147 153 A CA -0.959 51.419 52.037 0.568 0.000 0.818 153 A CB 0.286 19.598 19.000 0.520 0.000 1.096 153 A HN 0.960 nan 8.150 nan 0.000 0.495 154 W N 1.599 123.304 121.300 0.676 0.000 2.689 154 W HA 0.647 5.326 4.660 0.032 0.000 0.340 154 W C -1.478 175.294 176.519 0.422 0.000 1.060 154 W CA -1.354 56.320 57.345 0.548 0.000 1.218 154 W CB 0.897 30.574 29.460 0.362 0.000 1.410 154 W HN 0.500 nan 8.180 nan 0.000 0.528 155 L N 4.271 125.539 121.223 0.075 0.000 2.272 155 L HA 0.749 5.112 4.340 0.039 0.000 0.289 155 L C 0.486 177.397 176.870 0.069 0.000 1.032 155 L CA -0.120 54.452 54.840 -0.446 0.000 0.810 155 L CB 0.736 42.140 42.059 -1.092 0.000 1.205 155 L HN 0.804 nan 8.230 nan 0.000 0.422 156 G N 2.745 111.634 108.800 0.148 0.000 2.563 156 G HA2 0.312 4.295 3.960 0.039 0.000 0.283 156 G HA3 0.312 4.295 3.960 0.039 0.000 0.283 156 G C 0.150 175.265 174.900 0.359 0.000 1.309 156 G CA 0.085 45.427 45.100 0.402 0.000 1.022 156 G HN 0.787 nan 8.290 nan 0.000 0.501 157 Q N -0.832 119.104 119.800 0.227 0.000 2.472 157 Q HA 0.051 4.414 4.340 0.039 0.000 0.208 157 Q C 0.662 176.615 176.000 -0.079 0.000 0.958 157 Q CA 1.324 57.036 55.803 -0.151 0.000 0.932 157 Q CB 0.179 28.643 28.738 -0.458 0.000 1.007 157 Q HN 0.525 nan 8.270 nan 0.000 0.508 158 D N 0.515 120.909 120.400 -0.011 0.000 2.491 158 D HA 0.126 4.789 4.640 0.039 0.000 0.228 158 D C -0.323 175.962 176.300 -0.025 0.000 1.183 158 D CA -0.524 53.464 54.000 -0.021 0.000 0.827 158 D CB -0.036 40.760 40.800 -0.008 0.000 0.989 158 D HN 0.213 nan 8.370 nan 0.000 0.494 159 K N -0.589 119.790 120.400 -0.035 0.000 3.193 159 K HA -0.227 4.116 4.320 0.039 0.000 0.294 159 K C -0.249 176.272 176.600 -0.132 0.000 1.185 159 K CA 0.848 57.087 56.287 -0.080 0.000 0.866 159 K CB -1.007 31.465 32.500 -0.046 0.000 1.227 159 K HN 0.315 nan 8.250 nan 0.000 0.467 160 K N 0.079 120.413 120.400 -0.109 0.000 2.182 160 K HA 0.257 4.600 4.320 0.039 0.000 0.262 160 K C -0.471 176.049 176.600 -0.133 0.000 0.957 160 K CA -0.705 55.525 56.287 -0.095 0.000 0.842 160 K CB 0.784 33.270 32.500 -0.023 0.000 1.099 160 K HN 0.023 nan 8.250 nan 0.000 0.438 161 W N 2.978 124.251 121.300 -0.045 0.000 2.218 161 W HA 0.171 4.863 4.660 0.052 0.000 0.326 161 W C 0.498 176.957 176.519 -0.099 0.000 1.276 161 W CA -0.422 56.907 57.345 -0.027 0.000 1.210 161 W CB 0.654 30.122 29.460 0.012 0.000 1.143 161 W HN 0.165 nan 8.180 nan 0.000 0.563 162 R N 2.392 122.837 120.500 -0.091 0.000 2.599 162 R HA 0.749 5.112 4.340 0.039 0.000 0.295 162 R C -1.453 174.409 176.300 -0.730 0.000 0.963 162 R CA -1.239 54.572 56.100 -0.482 0.000 0.883 162 R CB 1.695 31.441 30.300 -0.923 0.000 1.171 162 R HN 0.409 nan 8.270 nan 0.000 0.450 163 V N 4.081 123.798 119.914 -0.327 0.000 2.932 163 V HA 0.580 4.724 4.120 0.039 0.000 0.307 163 V C -0.969 175.126 176.094 0.002 0.000 1.147 163 V CA -0.916 61.261 62.300 -0.205 0.000 0.951 163 V CB 2.598 34.243 31.823 -0.297 0.000 1.031 163 V HN 0.724 nan 8.190 nan 0.000 0.426 164 I N 3.486 124.151 120.570 0.158 0.000 2.562 164 I HA 0.763 4.957 4.170 0.039 0.000 0.301 164 I C -1.096 175.090 176.117 0.116 0.000 1.003 164 I CA -0.759 60.664 61.300 0.205 0.000 1.127 164 I CB 1.952 40.121 38.000 0.283 0.000 1.304 164 I HN 0.413 nan 8.210 nan 0.000 0.446 165 I N 3.517 124.157 120.570 0.117 0.000 2.466 165 I HA 0.521 4.714 4.170 0.039 0.000 0.289 165 I C 0.645 176.840 176.117 0.131 0.000 1.026 165 I CA -0.163 61.128 61.300 -0.015 0.000 1.078 165 I CB 1.946 39.727 38.000 -0.364 0.000 1.249 165 I HN 0.793 nan 8.210 nan 0.000 0.429 166 G N 3.093 111.980 108.800 0.144 0.000 2.398 166 G HA2 0.488 4.471 3.960 0.039 0.000 0.246 166 G HA3 0.488 4.471 3.960 0.039 0.000 0.246 166 G C -0.271 174.791 174.900 0.270 0.000 1.289 166 G CA 0.112 45.371 45.100 0.266 0.000 0.869 166 G HN 0.596 nan 8.290 nan 0.000 0.543 167 S N 0.675 116.560 115.700 0.309 0.000 2.790 167 S HA 0.839 5.332 4.470 0.039 0.000 0.292 167 S C -1.189 173.505 174.600 0.157 0.000 1.197 167 S CA -0.612 57.748 58.200 0.267 0.000 0.851 167 S CB 1.519 64.920 63.200 0.336 0.000 1.217 167 S HN 1.135 nan 8.310 nan 0.000 0.526 168 K N 0.399 120.852 120.400 0.089 0.000 2.587 168 K HA 0.650 4.993 4.320 0.039 0.000 0.276 168 K C -1.730 174.847 176.600 -0.037 0.000 0.956 168 K CA -0.888 55.400 56.287 0.001 0.000 0.857 168 K CB 0.794 33.313 32.500 0.032 0.000 1.431 168 K HN 0.664 nan 8.250 nan 0.000 0.420 169 I N -1.266 119.263 120.570 -0.068 0.000 2.503 169 I HA 0.427 4.620 4.170 0.039 0.000 0.282 169 I C -0.705 175.400 176.117 -0.020 0.000 1.059 169 I CA -0.874 60.369 61.300 -0.095 0.000 1.081 169 I CB 1.443 39.402 38.000 -0.067 0.000 1.210 169 I HN 0.717 nan 8.210 nan 0.000 0.450 170 H N 5.997 125.055 119.070 -0.019 0.000 2.740 170 H HA -0.134 4.445 4.556 0.039 0.000 0.327 170 H C 0.757 176.079 175.328 -0.011 0.000 1.077 170 H CA 0.802 56.842 56.048 -0.013 0.000 1.088 170 H CB -0.442 29.308 29.762 -0.021 0.000 1.619 170 H HN 0.924 nan 8.280 nan 0.000 0.386 171 R N -1.547 119.002 120.500 0.082 0.000 4.000 171 R HA -0.237 4.126 4.340 0.039 0.000 0.348 171 R C 0.656 176.978 176.300 0.036 0.000 1.204 171 R CA 1.566 57.704 56.100 0.064 0.000 0.987 171 R CB -0.711 29.632 30.300 0.072 0.000 1.446 171 R HN 0.597 nan 8.270 nan 0.000 0.555 172 R N 0.612 121.112 120.500 -0.000 0.000 2.265 172 R HA 0.362 4.725 4.340 0.039 0.000 0.328 172 R C -0.009 176.173 176.300 -0.196 0.000 0.969 172 R CA 0.208 56.267 56.100 -0.069 0.000 0.832 172 R CB 1.208 31.470 30.300 -0.062 0.000 1.139 172 R HN 0.131 nan 8.270 nan 0.000 0.457 173 G N 4.511 113.076 108.800 -0.392 0.000 2.390 173 G HA2 0.473 4.457 3.960 0.039 0.000 0.270 173 G HA3 0.473 4.457 3.960 0.039 0.000 0.270 173 G C -0.995 173.042 174.900 -1.438 0.000 1.211 173 G CA -0.501 44.014 45.100 -0.976 0.000 0.842 173 G HN 0.488 nan 8.290 nan 0.000 0.519 174 L N 0.011 120.672 121.223 -0.937 0.000 2.466 174 L HA 0.811 5.175 4.340 0.039 0.000 0.258 174 L C -0.147 176.773 176.870 0.083 0.000 0.973 174 L CA -1.814 52.701 54.840 -0.542 0.000 0.826 174 L CB 1.614 43.541 42.059 -0.219 0.000 1.372 174 L HN 0.610 nan 8.230 nan 0.000 0.409 175 A N 2.729 125.742 122.820 0.320 0.000 2.444 175 A HA 0.738 5.081 4.320 0.039 0.000 0.332 175 A C -0.073 177.684 177.584 0.289 0.000 1.430 175 A CA -0.284 52.008 52.037 0.425 0.000 0.975 175 A CB -0.554 18.754 19.000 0.514 0.000 1.147 175 A HN 0.693 nan 8.150 nan 0.000 0.524 176 I N 2.336 123.072 120.570 0.277 0.000 2.505 176 I HA 0.066 4.259 4.170 0.039 0.000 0.287 176 I C 1.045 177.335 176.117 0.288 0.000 1.104 176 I CA 0.326 61.783 61.300 0.262 0.000 1.387 176 I CB 0.912 39.136 38.000 0.374 0.000 1.404 176 I HN 0.536 nan 8.210 nan 0.000 0.528 177 T N 6.035 120.706 114.554 0.195 0.000 2.882 177 T HA 0.432 4.805 4.350 0.039 0.000 0.287 177 T C -0.786 173.989 174.700 0.125 0.000 0.992 177 T CA -0.083 62.134 62.100 0.195 0.000 1.076 177 T CB 0.391 69.364 68.868 0.175 0.000 0.961 177 T HN 0.285 nan 8.240 nan 0.000 0.490 178 Y N 1.652 122.008 120.300 0.094 0.000 2.524 178 Y HA 0.560 5.133 4.550 0.037 0.000 0.344 178 Y C 0.795 176.837 175.900 0.236 0.000 1.012 178 Y CA -0.680 57.523 58.100 0.171 0.000 1.068 178 Y CB 2.355 40.923 38.460 0.180 0.000 1.249 178 Y HN 0.771 nan 8.280 nan 0.000 0.468 179 T N -1.187 113.578 114.554 0.351 0.000 2.863 179 T HA 0.761 5.134 4.350 0.039 0.000 0.285 179 T C -0.668 174.041 174.700 0.015 0.000 1.009 179 T CA -0.868 61.341 62.100 0.181 0.000 0.989 179 T CB 1.789 70.700 68.868 0.072 0.000 1.004 179 T HN 0.524 nan 8.240 nan 0.000 0.455 180 S N 0.547 116.091 115.700 -0.261 0.000 2.550 180 S HA 0.523 5.017 4.470 0.039 0.000 0.270 180 S C -0.287 174.186 174.600 -0.211 0.000 1.145 180 S CA -0.846 57.022 58.200 -0.555 0.000 0.852 180 S CB 1.344 63.505 63.200 -1.733 0.000 1.119 180 S HN 0.928 nan 8.310 nan 0.000 0.465 181 K N 1.747 122.064 120.400 -0.138 0.000 2.413 181 K HA 0.253 4.596 4.320 0.039 0.000 0.204 181 K C -0.285 176.361 176.600 0.076 0.000 1.041 181 K CA 0.092 56.385 56.287 0.010 0.000 1.082 181 K CB 0.273 32.763 32.500 -0.018 0.000 0.871 181 K HN 0.674 nan 8.250 nan 0.000 0.535 182 D N -0.849 119.559 120.400 0.013 0.000 2.460 182 D HA 0.026 4.689 4.640 0.039 0.000 0.263 182 D C 0.255 176.591 176.300 0.060 0.000 1.209 182 D CA -0.606 53.426 54.000 0.054 0.000 0.818 182 D CB -0.480 40.316 40.800 -0.008 0.000 1.239 182 D HN 0.045 nan 8.370 nan 0.000 0.530 183 F N 1.074 120.805 119.950 -0.364 0.000 3.080 183 F HA -0.241 4.308 4.527 0.038 0.000 0.292 183 F C 0.113 175.816 175.800 -0.160 0.000 0.891 183 F CA 0.480 58.218 58.000 -0.437 0.000 1.086 183 F CB -0.772 37.987 39.000 -0.401 0.000 1.095 183 F HN 0.265 nan 8.300 nan 0.000 0.633 184 L N -0.911 120.179 121.223 -0.222 0.000 2.877 184 L HA 0.294 4.657 4.340 0.039 0.000 0.275 184 L C 0.229 177.060 176.870 -0.065 0.000 1.027 184 L CA 0.619 55.443 54.840 -0.026 0.000 1.135 184 L CB 0.271 42.328 42.059 -0.003 0.000 2.080 184 L HN 0.080 nan 8.230 nan 0.000 0.560 185 K N 0.663 120.924 120.400 -0.231 0.000 2.334 185 K HA 0.284 4.627 4.320 0.039 0.000 0.265 185 K C -1.807 174.643 176.600 -0.251 0.000 1.039 185 K CA -0.186 56.020 56.287 -0.136 0.000 0.920 185 K CB 0.390 32.835 32.500 -0.092 0.000 1.160 185 K HN 0.030 nan 8.250 nan 0.000 0.451 186 W N 3.373 124.656 121.300 -0.028 0.000 2.329 186 W HA 0.363 5.048 4.660 0.041 0.000 0.312 186 W C -0.047 176.581 176.519 0.181 0.000 1.054 186 W CA -0.566 56.801 57.345 0.038 0.000 1.245 186 W CB 1.232 30.652 29.460 -0.066 0.000 1.255 186 W HN 0.354 nan 8.180 nan 0.000 0.436 187 E N 2.553 122.956 120.200 0.338 0.000 2.179 187 E HA 0.169 4.542 4.350 0.039 0.000 0.275 187 E C -0.414 176.212 176.600 0.042 0.000 0.945 187 E CA -1.114 55.408 56.400 0.203 0.000 0.792 187 E CB 1.772 31.512 29.700 0.067 0.000 1.125 187 E HN 0.272 nan 8.360 nan 0.000 0.397 188 K N 1.782 122.012 120.400 -0.284 0.000 2.379 188 K HA 0.106 4.449 4.320 0.039 0.000 0.284 188 K C -0.502 175.891 176.600 -0.346 0.000 1.044 188 K CA -0.103 55.692 56.287 -0.820 0.000 0.974 188 K CB 0.556 32.621 32.500 -0.725 0.000 0.962 188 K HN 0.319 nan 8.250 nan 0.000 0.474 189 S N 5.904 121.437 115.700 -0.279 0.000 2.562 189 S HA 0.049 4.542 4.470 0.039 0.000 0.281 189 S C -1.657 172.882 174.600 -0.103 0.000 1.333 189 S CA -1.278 56.856 58.200 -0.110 0.000 1.052 189 S CB 1.039 64.222 63.200 -0.027 0.000 0.884 189 S HN 0.593 nan 8.310 nan 0.000 0.506 190 P HA -0.091 nan 4.420 nan 0.000 0.216 190 P C -0.042 177.230 177.300 -0.047 0.000 1.150 190 P CA 1.251 64.318 63.100 -0.054 0.000 0.843 190 P CB 0.221 31.903 31.700 -0.031 0.000 0.787 191 E N -0.907 119.283 120.200 -0.016 0.000 2.256 191 E HA 0.324 4.697 4.350 0.039 0.000 0.267 191 E C -2.454 174.173 176.600 0.045 0.000 0.892 191 E CA -2.635 53.767 56.400 0.002 0.000 0.775 191 E CB 1.426 31.142 29.700 0.028 0.000 1.207 191 E HN 0.035 nan 8.360 nan 0.000 0.420 192 P HA -0.007 nan 4.420 nan 0.000 0.272 192 P C 0.486 177.912 177.300 0.211 0.000 1.230 192 P CA -0.248 62.931 63.100 0.132 0.000 0.788 192 P CB 1.015 32.787 31.700 0.120 0.000 0.949 193 L N 0.962 122.331 121.223 0.244 0.000 2.046 193 L HA -0.051 4.312 4.340 0.039 0.000 0.208 193 L C 0.911 178.031 176.870 0.415 0.000 1.077 193 L CA 2.126 57.132 54.840 0.277 0.000 0.747 193 L CB -0.623 41.537 42.059 0.169 0.000 0.896 193 L HN 0.564 nan 8.230 nan 0.000 0.432 194 H N -2.825 116.441 119.070 0.327 0.000 3.014 194 H HA 0.476 5.055 4.556 0.039 0.000 0.337 194 H C -1.544 173.988 175.328 0.339 0.000 1.320 194 H CA -0.546 55.723 56.048 0.367 0.000 1.128 194 H CB 1.235 31.286 29.762 0.482 0.000 1.862 194 H HN 0.030 nan 8.280 nan 0.000 0.536 195 Y N -0.573 119.486 120.300 -0.401 0.000 2.638 195 Y HA 0.566 5.139 4.550 0.038 0.000 0.335 195 Y C -2.068 173.588 175.900 -0.408 0.000 1.155 195 Y CA -1.013 56.749 58.100 -0.562 0.000 1.046 195 Y CB 1.765 39.987 38.460 -0.397 0.000 1.303 195 Y HN 0.573 nan 8.280 nan 0.000 0.460 196 D N 1.628 121.867 120.400 -0.268 0.000 2.890 196 D HA 0.151 4.814 4.640 0.039 0.000 0.233 196 D C -1.728 174.590 176.300 0.030 0.000 1.306 196 D CA -0.347 53.651 54.000 -0.002 0.000 0.929 196 D CB 2.126 43.132 40.800 0.344 0.000 1.512 196 D HN 0.727 nan 8.370 nan 0.000 0.568 197 D N 1.414 121.862 120.400 0.080 0.000 2.350 197 D HA 0.426 5.089 4.640 0.039 0.000 0.249 197 D C 1.283 177.625 176.300 0.070 0.000 1.119 197 D CA 0.916 54.958 54.000 0.070 0.000 0.886 197 D CB 1.759 42.607 40.800 0.081 0.000 1.195 197 D HN 0.775 nan 8.370 nan 0.000 0.437 198 G N 2.133 110.972 108.800 0.064 0.000 2.611 198 G HA2 -0.275 3.708 3.960 0.039 0.000 0.208 198 G HA3 -0.275 3.708 3.960 0.039 0.000 0.208 198 G C 0.374 175.328 174.900 0.089 0.000 1.201 198 G CA 0.197 45.339 45.100 0.070 0.000 0.739 198 G HN 0.725 nan 8.290 nan 0.000 0.528 199 S N 1.825 117.601 115.700 0.127 0.000 2.562 199 S HA 0.579 5.073 4.470 0.039 0.000 0.281 199 S C 1.372 176.084 174.600 0.187 0.000 1.333 199 S CA 0.802 59.112 58.200 0.184 0.000 1.052 199 S CB 1.453 64.839 63.200 0.309 0.000 0.884 199 S HN 1.692 nan 8.310 nan 0.000 0.506 200 G N 1.963 110.879 108.800 0.192 0.000 2.913 200 G HA2 0.275 4.258 3.960 0.039 0.000 0.145 200 G HA3 0.275 4.258 3.960 0.039 0.000 0.145 200 G C 0.203 175.233 174.900 0.217 0.000 1.801 200 G CA -0.342 44.857 45.100 0.164 0.000 1.033 200 G HN 0.785 nan 8.290 nan 0.000 0.495 201 M N -0.192 119.542 119.600 0.223 0.000 2.238 201 M HA 0.258 4.761 4.480 0.039 0.000 0.350 201 M C -1.288 175.278 176.300 0.444 0.000 1.321 201 M CA -0.821 54.638 55.300 0.266 0.000 1.097 201 M CB 0.385 33.114 32.600 0.215 0.000 1.713 201 M HN 0.327 nan 8.290 nan 0.000 0.455 202 W N 6.013 127.400 121.300 0.144 0.000 1.828 202 W HA 0.598 5.281 4.660 0.038 0.000 0.369 202 W C -0.081 176.525 176.519 0.145 0.000 0.764 202 W CA -0.875 56.561 57.345 0.151 0.000 1.660 202 W CB -0.902 28.649 29.460 0.153 0.000 1.843 202 W HN 0.868 nan 8.180 nan 0.000 0.286 203 A N 0.401 123.392 122.820 0.285 0.000 2.296 203 A HA 0.330 4.674 4.320 0.039 0.000 0.264 203 A C 0.836 178.476 177.584 0.093 0.000 1.097 203 A CA -0.273 51.876 52.037 0.187 0.000 0.811 203 A CB 0.102 19.211 19.000 0.182 0.000 1.072 203 A HN 0.544 nan 8.150 nan 0.000 0.495 204 C N 0.931 120.266 119.300 0.059 0.000 2.769 204 C HA -0.076 4.408 4.460 0.039 0.000 0.222 204 C C -1.785 173.241 174.990 0.060 0.000 1.371 204 C CA -0.023 59.013 59.018 0.030 0.000 2.390 204 C CB -2.521 25.177 27.740 -0.069 0.000 1.523 204 C HN 0.667 nan 8.230 nan 0.000 0.394 205 P HA 0.466 nan 4.420 nan 0.000 0.276 205 P C -0.442 176.955 177.300 0.162 0.000 1.252 205 P CA 0.432 63.600 63.100 0.113 0.000 0.802 205 P CB 0.933 32.734 31.700 0.167 0.000 1.035 206 D N 0.019 120.526 120.400 0.178 0.000 2.927 206 D HA 0.480 5.143 4.640 0.039 0.000 0.219 206 D C -2.097 174.352 176.300 0.249 0.000 1.248 206 D CA -0.294 53.874 54.000 0.279 0.000 0.861 206 D CB 1.303 42.324 40.800 0.368 0.000 1.677 206 D HN 0.131 nan 8.370 nan 0.000 0.511 207 F N 4.870 124.862 119.950 0.071 0.000 2.617 207 F HA 0.627 5.175 4.527 0.036 0.000 0.325 207 F C -1.772 173.955 175.800 -0.122 0.000 1.179 207 F CA -0.710 57.143 58.000 -0.245 0.000 0.965 207 F CB 0.784 39.522 39.000 -0.436 0.000 1.232 207 F HN 0.238 nan 8.300 nan 0.000 0.461 208 F N 5.358 124.879 119.950 -0.715 0.000 2.641 208 F HA 0.838 5.387 4.527 0.036 0.000 0.308 208 F C -3.278 172.106 175.800 -0.692 0.000 1.105 208 F CA -2.545 55.134 58.000 -0.536 0.000 0.964 208 F CB 1.308 40.170 39.000 -0.232 0.000 1.294 208 F HN 0.132 nan 8.300 nan 0.000 0.442 209 P HA 0.562 nan 4.420 nan 0.000 0.282 209 P C -1.226 175.913 177.300 -0.268 0.000 1.259 209 P CA -0.543 62.088 63.100 -0.783 0.000 0.826 209 P CB 2.262 33.503 31.700 -0.766 0.000 1.064 210 V N -2.375 117.386 119.914 -0.255 0.000 2.971 210 V HA 0.609 4.753 4.120 0.039 0.000 0.309 210 V C 0.046 176.091 176.094 -0.082 0.000 1.130 210 V CA -0.981 61.273 62.300 -0.078 0.000 0.964 210 V CB 1.044 32.867 31.823 0.000 0.000 1.029 210 V HN 0.683 nan 8.190 nan 0.000 0.427 211 T N -0.010 114.529 114.554 -0.026 0.000 2.918 211 T HA 0.351 4.724 4.350 0.039 0.000 0.302 211 T C 0.838 175.492 174.700 -0.076 0.000 1.045 211 T CA 0.036 62.118 62.100 -0.029 0.000 1.114 211 T CB 1.498 70.378 68.868 0.020 0.000 0.965 211 T HN 0.915 nan 8.240 nan 0.000 0.540 212 R N 1.162 121.551 120.500 -0.184 0.000 2.092 212 R HA 0.123 4.486 4.340 0.039 0.000 0.231 212 R C -0.378 175.523 176.300 -0.664 0.000 1.119 212 R CA 1.065 56.880 56.100 -0.474 0.000 0.970 212 R CB -0.423 29.479 30.300 -0.663 0.000 0.864 212 R HN 0.755 nan 8.270 nan 0.000 0.440 213 F N -0.598 119.390 119.950 0.063 0.000 2.539 213 F HA 0.632 5.182 4.527 0.038 0.000 0.328 213 F C 0.245 176.068 175.800 0.038 0.000 1.148 213 F CA -0.178 57.857 58.000 0.059 0.000 0.940 213 F CB 2.497 41.522 39.000 0.043 0.000 1.194 213 F HN 0.202 nan 8.300 nan 0.000 0.438 214 G N 0.916 109.828 108.800 0.187 0.000 2.337 214 G HA2 0.154 4.137 3.960 0.039 0.000 0.310 214 G HA3 0.154 4.137 3.960 0.039 0.000 0.310 214 G C -0.352 174.528 174.900 -0.034 0.000 1.534 214 G CA -0.737 44.398 45.100 0.058 0.000 0.982 214 G HN 0.426 nan 8.290 nan 0.000 0.672 215 S N -0.484 115.085 115.700 -0.219 0.000 2.503 215 S HA 0.134 4.627 4.470 0.039 0.000 0.217 215 S C 1.067 175.543 174.600 -0.207 0.000 0.999 215 S CA 0.127 58.023 58.200 -0.508 0.000 0.914 215 S CB -0.160 62.570 63.200 -0.784 0.000 0.782 215 S HN 0.546 nan 8.310 nan 0.000 0.520 216 N N 1.212 119.859 118.700 -0.089 0.000 2.508 216 N HA 0.388 5.152 4.740 0.039 0.000 0.264 216 N C 0.327 175.881 175.510 0.073 0.000 1.216 216 N CA -0.024 53.017 53.050 -0.014 0.000 0.943 216 N CB 0.623 39.112 38.487 0.004 0.000 1.113 216 N HN 0.245 nan 8.380 nan 0.000 0.447 217 G N 0.165 109.035 108.800 0.116 0.000 2.572 217 G HA2 0.388 4.371 3.960 0.039 0.000 0.261 217 G HA3 0.388 4.371 3.960 0.039 0.000 0.261 217 G C -0.586 174.490 174.900 0.293 0.000 1.197 217 G CA -0.392 44.835 45.100 0.213 0.000 0.870 217 G HN 0.351 nan 8.290 nan 0.000 0.548 218 V N 0.973 120.983 119.914 0.159 0.000 2.555 218 V HA 0.290 4.433 4.120 0.039 0.000 0.302 218 V C 0.167 175.976 176.094 -0.475 0.000 1.038 218 V CA -1.069 61.176 62.300 -0.091 0.000 0.887 218 V CB 1.736 33.499 31.823 -0.100 0.000 0.991 218 V HN 0.741 nan 8.190 nan 0.000 0.434 219 E N 1.899 121.545 120.200 -0.923 0.000 2.413 219 E HA 0.041 4.415 4.350 0.039 0.000 0.263 219 E C 1.083 177.430 176.600 -0.421 0.000 1.015 219 E CA 0.358 56.113 56.400 -1.075 0.000 0.916 219 E CB 1.468 30.708 29.700 -0.767 0.000 0.947 219 E HN 0.799 nan 8.360 nan 0.000 0.440 220 T N 2.201 116.628 114.554 -0.212 0.000 2.746 220 T HA -0.115 4.258 4.350 0.039 0.000 0.267 220 T C 1.646 176.363 174.700 0.028 0.000 1.039 220 T CA 1.682 63.780 62.100 -0.003 0.000 1.142 220 T CB 0.032 69.016 68.868 0.193 0.000 0.866 220 T HN 0.324 nan 8.240 nan 0.000 0.444 221 S N 1.129 116.840 115.700 0.019 0.000 2.489 221 S HA 0.100 4.594 4.470 0.039 0.000 0.228 221 S C 1.162 175.519 174.600 -0.405 0.000 0.995 221 S CA -0.151 58.030 58.200 -0.031 0.000 0.934 221 S CB -0.141 63.044 63.200 -0.026 0.000 0.771 221 S HN 0.455 nan 8.310 nan 0.000 0.522 222 S N 0.761 116.241 115.700 -0.366 0.000 2.558 222 S HA 0.090 4.583 4.470 0.039 0.000 0.293 222 S C 0.412 174.768 174.600 -0.407 0.000 1.292 222 S CA -0.205 57.732 58.200 -0.437 0.000 1.063 222 S CB -0.049 63.008 63.200 -0.239 0.000 0.831 222 S HN 0.342 nan 8.310 nan 0.000 0.499 223 F N 3.323 123.327 119.950 0.091 0.000 2.749 223 F HA 0.401 4.937 4.527 0.015 0.000 0.300 223 F C 1.612 177.456 175.800 0.074 0.000 1.103 223 F CA 0.166 58.231 58.000 0.108 0.000 1.342 223 F CB -0.576 38.479 39.000 0.091 0.000 1.098 223 F HN 0.908 nan 8.300 nan 0.000 0.586 224 G N 0.987 109.882 108.800 0.158 0.000 2.829 224 G HA2 -0.196 3.787 3.960 0.039 0.000 0.628 224 G HA3 -0.196 3.787 3.960 0.039 0.000 0.628 224 G C -0.668 174.312 174.900 0.132 0.000 1.412 224 G CA -1.060 44.105 45.100 0.108 0.000 0.864 224 G HN 0.191 nan 8.290 nan 0.000 0.544 225 E N 1.089 121.345 120.200 0.093 0.000 2.391 225 E HA 0.395 4.769 4.350 0.039 0.000 0.255 225 E C -0.709 175.939 176.600 0.080 0.000 1.187 225 E CA -0.622 55.829 56.400 0.084 0.000 0.941 225 E CB 0.531 30.270 29.700 0.066 0.000 1.010 225 E HN 0.332 nan 8.360 nan 0.000 0.458 226 P HA -0.105 nan 4.420 nan 0.000 0.230 226 P C -0.168 177.165 177.300 0.055 0.000 1.158 226 P CA 1.185 64.318 63.100 0.056 0.000 0.769 226 P CB 0.237 31.963 31.700 0.043 0.000 0.807 227 N N -0.959 117.775 118.700 0.057 0.000 2.414 227 N HA -0.016 4.747 4.740 0.039 0.000 0.177 227 N C 0.716 176.267 175.510 0.069 0.000 1.062 227 N CA -0.106 52.979 53.050 0.058 0.000 0.890 227 N CB -0.584 37.933 38.487 0.051 0.000 1.070 227 N HN 0.064 nan 8.380 nan 0.000 0.454 228 E N 0.813 121.054 120.200 0.068 0.000 2.290 228 E HA 0.133 4.507 4.350 0.039 0.000 0.277 228 E C -0.943 175.697 176.600 0.067 0.000 1.035 228 E CA -0.455 55.987 56.400 0.070 0.000 0.873 228 E CB 0.702 30.438 29.700 0.060 0.000 1.029 228 E HN 0.331 nan 8.360 nan 0.000 0.419 229 I N 6.212 126.820 120.570 0.064 0.000 2.321 229 I HA 0.281 4.474 4.170 0.039 0.000 0.291 229 I C -1.241 174.879 176.117 0.005 0.000 0.998 229 I CA -0.565 60.762 61.300 0.044 0.000 1.227 229 I CB 0.419 38.449 38.000 0.050 0.000 1.368 229 I HN 0.524 nan 8.210 nan 0.000 0.466 230 L N 7.756 128.990 121.223 0.019 0.000 2.330 230 L HA 0.602 4.966 4.340 0.039 0.000 0.271 230 L C -0.426 176.445 176.870 0.002 0.000 1.013 230 L CA -0.872 53.961 54.840 -0.012 0.000 0.816 230 L CB 1.863 43.923 42.059 0.001 0.000 1.287 230 L HN 0.554 nan 8.230 nan 0.000 0.435 231 K N 0.644 121.005 120.400 -0.064 0.000 2.444 231 K HA 0.561 4.905 4.320 0.039 0.000 0.252 231 K C -1.335 175.168 176.600 -0.162 0.000 0.993 231 K CA -1.009 55.267 56.287 -0.019 0.000 0.847 231 K CB 2.437 34.913 32.500 -0.041 0.000 1.340 231 K HN 0.521 nan 8.250 nan 0.000 0.446 232 H N 0.164 119.186 119.070 -0.080 0.000 2.569 232 H HA 0.385 4.963 4.556 0.036 0.000 0.357 232 H C -1.026 174.088 175.328 -0.358 0.000 1.153 232 H CA -0.799 55.065 56.048 -0.307 0.000 1.193 232 H CB 2.183 31.758 29.762 -0.311 0.000 1.602 232 H HN 0.105 nan 8.280 nan 0.000 0.523 233 V N 4.295 123.759 119.914 -0.751 0.000 2.378 233 V HA 0.117 4.261 4.120 0.039 0.000 0.288 233 V C -0.339 175.166 176.094 -0.981 0.000 1.016 233 V CA -0.705 61.109 62.300 -0.811 0.000 0.840 233 V CB 1.824 33.042 31.823 -1.008 0.000 0.994 233 V HN 0.383 nan 8.190 nan 0.000 0.431 234 L N 5.996 126.741 121.223 -0.797 0.000 2.272 234 L HA 0.613 4.976 4.340 0.039 0.000 0.289 234 L C -0.222 176.469 176.870 -0.298 0.000 1.032 234 L CA 0.243 54.748 54.840 -0.558 0.000 0.810 234 L CB 0.953 42.526 42.059 -0.809 0.000 1.205 234 L HN 0.593 nan 8.230 nan 0.000 0.422 235 K N 6.861 127.168 120.400 -0.155 0.000 2.259 235 K HA 0.630 4.973 4.320 0.039 0.000 0.252 235 K C -1.352 175.194 176.600 -0.090 0.000 0.936 235 K CA -0.606 55.644 56.287 -0.062 0.000 0.810 235 K CB 1.506 34.074 32.500 0.113 0.000 1.143 235 K HN 0.779 nan 8.250 nan 0.000 0.427 236 I N -0.969 119.519 120.570 -0.137 0.000 2.865 236 I HA 0.386 4.579 4.170 0.039 0.000 0.302 236 I C -0.712 175.382 176.117 -0.039 0.000 1.140 236 I CA -0.863 60.326 61.300 -0.185 0.000 1.021 236 I CB 2.390 40.025 38.000 -0.608 0.000 1.233 236 I HN 0.251 nan 8.210 nan 0.000 0.427 237 S N 4.604 120.295 115.700 -0.015 0.000 2.461 237 S HA 0.503 4.996 4.470 0.039 0.000 0.322 237 S C -0.415 174.332 174.600 0.245 0.000 1.063 237 S CA -0.430 57.801 58.200 0.052 0.000 1.120 237 S CB 0.645 63.653 63.200 -0.320 0.000 0.968 237 S HN 0.371 nan 8.310 nan 0.000 0.467 238 L N 3.399 124.851 121.223 0.383 0.000 2.369 238 L HA 0.195 4.558 4.340 0.039 0.000 0.279 238 L C 1.322 178.404 176.870 0.353 0.000 1.108 238 L CA 0.245 55.300 54.840 0.359 0.000 0.852 238 L CB 0.478 42.744 42.059 0.345 0.000 1.169 238 L HN 0.543 nan 8.230 nan 0.000 0.452 239 D N 0.776 121.355 120.400 0.299 0.000 2.219 239 D HA -0.158 4.506 4.640 0.039 0.000 0.205 239 D C 1.232 177.586 176.300 0.090 0.000 0.970 239 D CA 1.024 55.152 54.000 0.213 0.000 0.851 239 D CB 0.429 41.347 40.800 0.197 0.000 0.943 239 D HN 0.605 nan 8.370 nan 0.000 0.488 240 D N -1.136 119.332 120.400 0.114 0.000 2.097 240 D HA -0.120 4.543 4.640 0.039 0.000 0.195 240 D C 2.093 178.409 176.300 0.027 0.000 0.989 240 D CA 1.979 56.020 54.000 0.069 0.000 0.827 240 D CB -0.550 40.307 40.800 0.095 0.000 0.966 240 D HN 0.382 nan 8.370 nan 0.000 0.456 241 T N -2.755 111.833 114.554 0.057 0.000 3.044 241 T HA 0.066 4.439 4.350 0.039 0.000 0.250 241 T C 0.713 175.210 174.700 -0.339 0.000 1.081 241 T CA -0.134 61.966 62.100 0.001 0.000 1.040 241 T CB 0.255 69.275 68.868 0.253 0.000 0.962 241 T HN -0.157 nan 8.240 nan 0.000 0.506 242 K N 1.761 121.989 120.400 -0.287 0.000 3.117 242 K HA -0.133 4.210 4.320 0.039 0.000 0.269 242 K C -0.780 175.463 176.600 -0.595 0.000 1.098 242 K CA 0.726 56.634 56.287 -0.631 0.000 0.785 242 K CB -2.133 29.954 32.500 -0.689 0.000 1.242 242 K HN 0.691 nan 8.250 nan 0.000 0.491 243 H N -0.278 118.891 119.070 0.166 0.000 2.894 243 H HA 0.419 4.998 4.556 0.038 0.000 0.368 243 H C -0.432 174.895 175.328 -0.002 0.000 1.181 243 H CA -0.850 55.209 56.048 0.018 0.000 1.146 243 H CB 1.567 31.124 29.762 -0.341 0.000 1.839 243 H HN -0.108 nan 8.280 nan 0.000 0.557 244 D N 1.386 121.753 120.400 -0.055 0.000 2.303 244 D HA 0.268 4.931 4.640 0.039 0.000 0.236 244 D C -0.540 175.515 176.300 -0.408 0.000 1.068 244 D CA -0.072 53.872 54.000 -0.094 0.000 0.830 244 D CB 0.802 41.673 40.800 0.120 0.000 1.109 244 D HN 0.257 nan 8.370 nan 0.000 0.496 245 Y N 1.201 121.441 120.300 -0.101 0.000 2.524 245 Y HA 0.513 5.086 4.550 0.038 0.000 0.344 245 Y C -0.176 175.591 175.900 -0.222 0.000 1.012 245 Y CA -1.315 56.669 58.100 -0.193 0.000 1.068 245 Y CB 1.399 39.777 38.460 -0.136 0.000 1.249 245 Y HN 0.311 nan 8.280 nan 0.000 0.468 246 Y N -1.449 118.750 120.300 -0.168 0.000 2.553 246 Y HA 0.882 5.455 4.550 0.039 0.000 0.347 246 Y C -0.907 174.921 175.900 -0.120 0.000 1.019 246 Y CA -1.340 56.622 58.100 -0.230 0.000 1.032 246 Y CB 1.588 39.814 38.460 -0.389 0.000 1.284 246 Y HN 0.601 nan 8.280 nan 0.000 0.466 247 T N 0.600 115.132 114.554 -0.037 0.000 2.916 247 T HA 0.777 5.150 4.350 0.039 0.000 0.292 247 T C -0.917 173.665 174.700 -0.195 0.000 1.055 247 T CA -0.782 61.191 62.100 -0.213 0.000 1.009 247 T CB 1.821 70.667 68.868 -0.036 0.000 1.118 247 T HN 0.713 nan 8.240 nan 0.000 0.497 248 I N 1.119 121.305 120.570 -0.639 0.000 2.377 248 I HA 0.741 4.935 4.170 0.039 0.000 0.293 248 I C 0.792 176.800 176.117 -0.182 0.000 0.987 248 I CA -0.418 60.694 61.300 -0.315 0.000 1.185 248 I CB 1.639 39.443 38.000 -0.327 0.000 1.341 248 I HN 1.081 nan 8.210 nan 0.000 0.455 249 G N 3.152 112.010 108.800 0.096 0.000 2.664 249 G HA2 0.615 4.599 3.960 0.039 0.000 0.303 249 G HA3 0.615 4.599 3.960 0.039 0.000 0.303 249 G C -1.276 173.679 174.900 0.092 0.000 1.243 249 G CA -0.433 44.631 45.100 -0.060 0.000 0.826 249 G HN 0.490 nan 8.290 nan 0.000 0.498 250 T N -2.019 112.513 114.554 -0.037 0.000 2.856 250 T HA 0.529 4.902 4.350 0.039 0.000 0.283 250 T C -1.401 173.424 174.700 0.209 0.000 1.008 250 T CA -0.509 61.663 62.100 0.120 0.000 0.997 250 T CB 2.134 71.033 68.868 0.051 0.000 0.992 250 T HN 0.647 nan 8.240 nan 0.000 0.454 251 Y N 2.779 123.139 120.300 0.101 0.000 2.594 251 Y HA 0.348 4.919 4.550 0.036 0.000 0.342 251 Y C -0.141 175.798 175.900 0.064 0.000 1.010 251 Y CA -1.945 56.194 58.100 0.065 0.000 1.270 251 Y CB 0.067 38.326 38.460 -0.335 0.000 1.125 251 Y HN 0.745 nan 8.280 nan 0.000 0.513 252 D N 5.448 125.860 120.400 0.021 0.000 2.367 252 D HA 0.066 4.729 4.640 0.039 0.000 0.255 252 D C 0.836 176.962 176.300 -0.290 0.000 1.300 252 D CA 0.257 54.199 54.000 -0.097 0.000 0.959 252 D CB 0.533 41.336 40.800 0.005 0.000 1.064 252 D HN 0.719 nan 8.370 nan 0.000 0.509 253 R N 2.308 122.552 120.500 -0.427 0.000 2.189 253 R HA -0.025 4.338 4.340 0.039 0.000 0.218 253 R C 1.813 178.024 176.300 -0.148 0.000 1.074 253 R CA 0.390 56.222 56.100 -0.446 0.000 0.991 253 R CB 0.226 30.335 30.300 -0.320 0.000 0.883 253 R HN 0.315 nan 8.270 nan 0.000 0.457 254 V N 1.077 120.937 119.914 -0.091 0.000 2.239 254 V HA -0.195 3.949 4.120 0.039 0.000 0.242 254 V C 2.139 178.233 176.094 0.000 0.000 1.038 254 V CA 1.545 63.826 62.300 -0.032 0.000 1.002 254 V CB -0.311 31.498 31.823 -0.022 0.000 0.641 254 V HN 0.193 nan 8.190 nan 0.000 0.449 255 K N -0.789 119.618 120.400 0.012 0.000 2.432 255 K HA -0.090 4.254 4.320 0.039 0.000 0.196 255 K C 0.441 177.094 176.600 0.088 0.000 1.038 255 K CA 0.693 57.009 56.287 0.048 0.000 0.986 255 K CB -0.048 32.486 32.500 0.056 0.000 0.782 255 K HN 0.478 nan 8.250 nan 0.000 0.485 256 D N 0.827 121.283 120.400 0.093 0.000 2.699 256 D HA -0.155 4.508 4.640 0.039 0.000 0.239 256 D C -1.228 175.248 176.300 0.295 0.000 1.136 256 D CA 1.164 55.295 54.000 0.217 0.000 0.668 256 D CB -0.623 40.306 40.800 0.214 0.000 1.060 256 D HN 0.215 nan 8.370 nan 0.000 0.429 257 K N 0.050 120.618 120.400 0.280 0.000 2.385 257 K HA 0.494 4.838 4.320 0.039 0.000 0.248 257 K C -0.603 176.222 176.600 0.374 0.000 0.955 257 K CA -1.023 55.446 56.287 0.304 0.000 0.816 257 K CB 1.468 34.107 32.500 0.232 0.000 1.250 257 K HN 0.042 nan 8.250 nan 0.000 0.434 258 F N 2.481 122.551 119.950 0.199 0.000 2.405 258 F HA 0.333 4.882 4.527 0.037 0.000 0.355 258 F C -0.797 175.039 175.800 0.060 0.000 1.121 258 F CA -0.636 57.447 58.000 0.138 0.000 1.112 258 F CB 0.857 39.880 39.000 0.039 0.000 1.126 258 F HN 0.068 nan 8.300 nan 0.000 0.481 259 V N 8.606 128.129 119.914 -0.652 0.000 2.313 259 V HA 0.347 4.490 4.120 0.039 0.000 0.278 259 V C -2.189 173.377 176.094 -0.880 0.000 1.017 259 V CA -1.913 60.046 62.300 -0.568 0.000 0.823 259 V CB 0.977 32.679 31.823 -0.202 0.000 1.010 259 V HN 0.651 nan 8.190 nan 0.000 0.443 260 P HA 0.199 nan 4.420 nan 0.000 0.271 260 P C -0.375 176.834 177.300 -0.151 0.000 1.218 260 P CA -0.360 62.441 63.100 -0.498 0.000 0.780 260 P CB 0.566 32.151 31.700 -0.190 0.000 0.901 261 D N 0.820 121.216 120.400 -0.007 0.000 2.390 261 D HA -0.044 4.620 4.640 0.039 0.000 0.236 261 D C 0.628 177.064 176.300 0.227 0.000 1.189 261 D CA 0.495 54.591 54.000 0.160 0.000 0.887 261 D CB -0.088 40.894 40.800 0.303 0.000 1.198 261 D HN 0.263 nan 8.370 nan 0.000 0.444 262 N N 0.221 119.003 118.700 0.136 0.000 2.414 262 N HA 0.184 4.948 4.740 0.039 0.000 0.268 262 N C 0.935 176.475 175.510 0.049 0.000 1.286 262 N CA 1.222 54.320 53.050 0.081 0.000 0.896 262 N CB 0.255 38.771 38.487 0.049 0.000 1.093 262 N HN 0.543 nan 8.380 nan 0.000 0.480 263 G N 2.782 111.586 108.800 0.007 0.000 2.391 263 G HA2 -0.218 3.766 3.960 0.039 0.000 0.204 263 G HA3 -0.218 3.766 3.960 0.039 0.000 0.204 263 G C 0.020 174.815 174.900 -0.175 0.000 1.012 263 G CA -0.486 44.537 45.100 -0.128 0.000 0.651 263 G HN 0.460 nan 8.290 nan 0.000 0.494 264 F N 1.671 121.627 119.950 0.011 0.000 2.410 264 F HA 0.669 5.221 4.527 0.040 0.000 0.334 264 F C 0.755 176.569 175.800 0.023 0.000 1.134 264 F CA 0.388 58.396 58.000 0.013 0.000 1.227 264 F CB 1.345 40.355 39.000 0.016 0.000 1.194 264 F HN 0.084 nan 8.300 nan 0.000 0.571 265 K N 2.548 123.087 120.400 0.231 0.000 2.513 265 K HA 0.304 4.647 4.320 0.039 0.000 0.251 265 K C -0.881 175.824 176.600 0.175 0.000 0.939 265 K CA -0.713 55.682 56.287 0.180 0.000 0.793 265 K CB 1.242 33.810 32.500 0.114 0.000 1.241 265 K HN 0.535 nan 8.250 nan 0.000 0.431 266 M N 5.268 125.009 119.600 0.235 0.000 3.596 266 M HA 0.034 4.538 4.480 0.039 0.000 0.212 266 M C -0.687 175.717 176.300 0.175 0.000 1.519 266 M CA 0.667 56.088 55.300 0.202 0.000 1.670 266 M CB -1.469 31.341 32.600 0.350 0.000 1.113 266 M HN 0.668 nan 8.290 nan 0.000 0.565 267 D N -1.295 119.118 120.400 0.021 0.000 3.225 267 D HA 0.293 4.956 4.640 0.039 0.000 0.294 267 D C 0.983 177.033 176.300 -0.417 0.000 1.306 267 D CA -0.429 53.528 54.000 -0.072 0.000 1.019 267 D CB -0.234 40.584 40.800 0.030 0.000 1.344 267 D HN 0.131 nan 8.370 nan 0.000 0.615 268 G N -1.314 107.248 108.800 -0.397 0.000 2.882 268 G HA2 0.064 4.047 3.960 0.039 0.000 0.206 268 G HA3 0.064 4.047 3.960 0.039 0.000 0.206 268 G C 0.874 175.660 174.900 -0.191 0.000 1.155 268 G CA 1.168 45.940 45.100 -0.548 0.000 0.800 268 G HN 0.639 nan 8.290 nan 0.000 0.524 269 T N -3.143 111.348 114.554 -0.104 0.000 3.054 269 T HA 0.632 5.005 4.350 0.039 0.000 0.255 269 T C 0.990 175.723 174.700 0.056 0.000 1.035 269 T CA 0.318 62.430 62.100 0.020 0.000 0.941 269 T CB 0.674 69.556 68.868 0.023 0.000 1.026 269 T HN 0.266 nan 8.240 nan 0.000 0.533 270 A N 2.493 125.340 122.820 0.044 0.000 2.304 270 A HA 0.692 5.036 4.320 0.039 0.000 0.271 270 A C -2.473 175.175 177.584 0.107 0.000 1.091 270 A CA -1.777 50.314 52.037 0.091 0.000 0.812 270 A CB -0.096 18.934 19.000 0.051 0.000 1.056 270 A HN 0.236 nan 8.150 nan 0.000 0.489 271 P HA 0.129 nan 4.420 nan 0.000 0.266 271 P C -0.445 176.618 177.300 -0.394 0.000 1.193 271 P CA 0.418 63.399 63.100 -0.198 0.000 0.770 271 P CB 0.376 31.781 31.700 -0.492 0.000 0.836 272 R N 1.727 122.006 120.500 -0.369 0.000 2.668 272 R HA 0.310 4.673 4.340 0.039 0.000 0.279 272 R C 0.734 176.872 176.300 -0.269 0.000 0.976 272 R CA -0.583 55.158 56.100 -0.600 0.000 0.978 272 R CB 0.446 30.045 30.300 -1.168 0.000 1.133 272 R HN 0.429 nan 8.270 nan 0.000 0.484 273 Y N 0.113 120.354 120.300 -0.099 0.000 2.114 273 Y HA -0.107 4.466 4.550 0.038 0.000 0.284 273 Y C 0.879 176.538 175.900 -0.401 0.000 1.143 273 Y CA 1.241 59.262 58.100 -0.132 0.000 1.135 273 Y CB 0.203 38.599 38.460 -0.107 0.000 0.980 273 Y HN 0.451 nan 8.280 nan 0.000 0.499 274 D N -1.950 118.193 120.400 -0.429 0.000 2.896 274 D HA 0.105 4.768 4.640 0.039 0.000 0.241 274 D C -1.135 174.836 176.300 -0.548 0.000 1.188 274 D CA -0.561 53.121 54.000 -0.530 0.000 0.879 274 D CB 1.019 41.309 40.800 -0.851 0.000 1.553 274 D HN 0.053 nan 8.370 nan 0.000 0.515 275 Y N 1.488 121.602 120.300 -0.311 0.000 2.495 275 Y HA 0.305 4.878 4.550 0.039 0.000 0.293 275 Y C 1.377 176.997 175.900 -0.466 0.000 1.186 275 Y CA -0.215 57.686 58.100 -0.332 0.000 1.266 275 Y CB 1.073 39.393 38.460 -0.234 0.000 1.101 275 Y HN 0.390 nan 8.280 nan 0.000 0.517 276 G N -0.229 108.245 108.800 -0.544 0.000 3.286 276 G HA2 0.262 4.245 3.960 0.039 0.000 0.166 276 G HA3 0.262 4.245 3.960 0.039 0.000 0.166 276 G C -1.048 173.330 174.900 -0.872 0.000 1.155 276 G CA -0.822 43.531 45.100 -1.245 0.000 0.871 276 G HN -0.080 nan 8.290 nan 0.000 0.637 277 K N -0.014 119.984 120.400 -0.670 0.000 2.292 277 K HA 0.491 4.834 4.320 0.039 0.000 0.290 277 K C -1.985 174.570 176.600 -0.077 0.000 1.083 277 K CA -0.267 55.858 56.287 -0.271 0.000 0.918 277 K CB -0.258 32.140 32.500 -0.170 0.000 1.089 277 K HN 0.398 nan 8.250 nan 0.000 0.473 278 Y N 4.263 124.454 120.300 -0.181 0.000 2.262 278 Y HA 0.274 4.847 4.550 0.038 0.000 0.317 278 Y C -2.168 173.782 175.900 0.084 0.000 1.230 278 Y CA -0.868 57.183 58.100 -0.081 0.000 1.166 278 Y CB 0.691 39.092 38.460 -0.099 0.000 1.254 278 Y HN 0.603 nan 8.280 nan 0.000 0.405 279 Y N 3.618 123.729 120.300 -0.315 0.000 2.588 279 Y HA 0.631 5.204 4.550 0.040 0.000 0.343 279 Y C 0.085 175.995 175.900 0.018 0.000 1.065 279 Y CA -0.614 57.425 58.100 -0.102 0.000 1.038 279 Y CB 2.235 40.636 38.460 -0.099 0.000 1.297 279 Y HN 0.859 nan 8.280 nan 0.000 0.467 280 A N 2.050 124.553 122.820 -0.528 0.000 2.667 280 A HA -0.156 4.188 4.320 0.039 0.000 0.298 280 A C -0.107 177.421 177.584 -0.092 0.000 1.483 280 A CA 1.023 52.879 52.037 -0.301 0.000 0.738 280 A CB -2.262 16.697 19.000 -0.069 0.000 1.067 280 A HN 0.603 nan 8.150 nan 0.000 0.451 281 S N -0.289 115.385 115.700 -0.044 0.000 2.576 281 S HA 0.514 5.007 4.470 0.039 0.000 0.276 281 S C 0.241 174.922 174.600 0.136 0.000 1.339 281 S CA 0.460 58.706 58.200 0.077 0.000 1.039 281 S CB 1.166 64.546 63.200 0.299 0.000 0.902 281 S HN 0.731 nan 8.310 nan 0.000 0.516 282 K N 1.128 121.621 120.400 0.156 0.000 2.523 282 K HA 0.462 4.805 4.320 0.039 0.000 0.257 282 K C -1.000 175.721 176.600 0.203 0.000 0.932 282 K CA -0.574 55.823 56.287 0.183 0.000 0.812 282 K CB 1.515 34.111 32.500 0.160 0.000 1.326 282 K HN 0.718 nan 8.250 nan 0.000 0.433 283 T N -0.224 114.415 114.554 0.142 0.000 2.932 283 T HA 0.767 5.141 4.350 0.039 0.000 0.289 283 T C -0.525 174.327 174.700 0.252 0.000 1.039 283 T CA -0.793 61.331 62.100 0.040 0.000 1.024 283 T CB 0.774 69.393 68.868 -0.414 0.000 1.090 283 T HN 0.467 nan 8.240 nan 0.000 0.496 284 F N -0.365 119.629 119.950 0.074 0.000 2.631 284 F HA 0.770 5.319 4.527 0.037 0.000 0.308 284 F C -1.571 174.340 175.800 0.184 0.000 1.097 284 F CA -2.104 56.000 58.000 0.173 0.000 0.952 284 F CB 1.258 40.414 39.000 0.260 0.000 1.307 284 F HN 0.623 nan 8.300 nan 0.000 0.450 285 F N 2.907 122.917 119.950 0.099 0.000 2.445 285 F HA 0.350 4.902 4.527 0.042 0.000 0.359 285 F C -0.130 175.719 175.800 0.081 0.000 1.101 285 F CA -0.440 57.557 58.000 -0.005 0.000 1.177 285 F CB 0.592 39.642 39.000 0.083 0.000 1.110 285 F HN 0.640 nan 8.300 nan 0.000 0.522 286 D N 3.646 123.621 120.400 -0.708 0.000 2.485 286 D HA 0.123 4.787 4.640 0.039 0.000 0.221 286 D C 0.864 176.750 176.300 -0.690 0.000 1.112 286 D CA -0.036 53.724 54.000 -0.400 0.000 0.911 286 D CB 0.667 41.329 40.800 -0.230 0.000 1.019 286 D HN 0.495 nan 8.370 nan 0.000 0.516 287 S N 2.072 117.450 115.700 -0.537 0.000 2.469 287 S HA -0.141 4.353 4.470 0.039 0.000 0.238 287 S C 1.973 176.479 174.600 -0.155 0.000 0.998 287 S CA 0.527 58.523 58.200 -0.340 0.000 0.957 287 S CB -0.079 63.160 63.200 0.065 0.000 0.764 287 S HN 0.419 nan 8.310 nan 0.000 0.514 288 A N 2.034 124.780 122.820 -0.123 0.000 1.873 288 A HA 0.089 4.432 4.320 0.039 0.000 0.215 288 A C 2.019 179.564 177.584 -0.065 0.000 1.186 288 A CA 1.379 53.376 52.037 -0.068 0.000 0.616 288 A CB -0.310 18.665 19.000 -0.042 0.000 0.823 288 A HN 0.465 nan 8.150 nan 0.000 0.442 289 K N -1.216 119.129 120.400 -0.092 0.000 2.438 289 K HA 0.240 4.584 4.320 0.039 0.000 0.205 289 K C -0.249 176.275 176.600 -0.126 0.000 1.033 289 K CA -0.023 56.212 56.287 -0.087 0.000 1.089 289 K CB 0.140 32.603 32.500 -0.062 0.000 0.857 289 K HN 0.479 nan 8.250 nan 0.000 0.522 290 N N 2.047 120.629 118.700 -0.196 0.000 2.705 290 N HA -0.236 4.527 4.740 0.039 0.000 0.255 290 N C -1.337 174.103 175.510 -0.118 0.000 1.008 290 N CA 0.861 53.818 53.050 -0.156 0.000 0.742 290 N CB -0.527 37.972 38.487 0.020 0.000 0.906 290 N HN 0.382 nan 8.380 nan 0.000 0.541 291 R N -1.180 119.170 120.500 -0.250 0.000 2.771 291 R HA 0.601 4.965 4.340 0.039 0.000 0.274 291 R C -0.804 175.368 176.300 -0.213 0.000 0.987 291 R CA -1.135 54.875 56.100 -0.150 0.000 0.908 291 R CB 1.608 31.823 30.300 -0.141 0.000 1.213 291 R HN 0.108 nan 8.270 nan 0.000 0.468 292 R N 2.246 122.674 120.500 -0.121 0.000 2.265 292 R HA 0.377 4.740 4.340 0.039 0.000 0.319 292 R C -0.658 175.449 176.300 -0.322 0.000 1.006 292 R CA -0.570 55.397 56.100 -0.222 0.000 0.880 292 R CB 0.905 31.098 30.300 -0.178 0.000 1.077 292 R HN 0.534 nan 8.270 nan 0.000 0.454 293 I N 5.764 126.023 120.570 -0.518 0.000 2.404 293 I HA 0.266 4.459 4.170 0.039 0.000 0.293 293 I C -0.624 175.292 176.117 -0.335 0.000 0.992 293 I CA -1.024 59.985 61.300 -0.485 0.000 1.149 293 I CB 1.279 38.882 38.000 -0.662 0.000 1.315 293 I HN 0.547 nan 8.210 nan 0.000 0.446 294 L N 6.755 127.790 121.223 -0.313 0.000 2.287 294 L HA 0.492 4.856 4.340 0.039 0.000 0.287 294 L C -1.417 175.345 176.870 -0.181 0.000 1.022 294 L CA -0.076 54.629 54.840 -0.225 0.000 0.814 294 L CB 1.068 42.919 42.059 -0.347 0.000 1.217 294 L HN 0.450 nan 8.230 nan 0.000 0.420 295 W N 4.044 125.349 121.300 0.009 0.000 2.469 295 W HA 0.725 5.408 4.660 0.037 0.000 0.320 295 W C 0.430 176.919 176.519 -0.051 0.000 1.086 295 W CA -0.447 56.900 57.345 0.002 0.000 1.211 295 W CB 2.169 31.622 29.460 -0.012 0.000 1.298 295 W HN 0.747 nan 8.180 nan 0.000 0.525 296 G N 1.963 110.870 108.800 0.178 0.000 2.638 296 G HA2 0.441 4.425 3.960 0.039 0.000 0.302 296 G HA3 0.441 4.425 3.960 0.039 0.000 0.302 296 G C -2.515 172.331 174.900 -0.090 0.000 1.365 296 G CA -0.822 44.104 45.100 -0.291 0.000 0.987 296 G HN 0.459 nan 8.290 nan 0.000 0.495 297 W N 2.566 123.669 121.300 -0.328 0.000 2.361 297 W HA 0.662 5.345 4.660 0.038 0.000 0.309 297 W C -0.561 175.879 176.519 -0.132 0.000 1.122 297 W CA -0.890 56.358 57.345 -0.162 0.000 1.208 297 W CB 1.563 30.958 29.460 -0.108 0.000 1.246 297 W HN 0.399 nan 8.180 nan 0.000 0.490 298 T N 7.459 121.826 114.554 -0.312 0.000 2.809 298 T HA 0.164 4.538 4.350 0.039 0.000 0.296 298 T C 0.277 174.634 174.700 -0.570 0.000 1.015 298 T CA -0.769 61.073 62.100 -0.430 0.000 0.954 298 T CB 0.282 69.071 68.868 -0.132 0.000 0.950 298 T HN 0.520 nan 8.240 nan 0.000 0.450 299 N N 2.205 120.386 118.700 -0.864 0.000 2.364 299 N HA 0.189 4.952 4.740 0.039 0.000 0.264 299 N C -0.230 175.190 175.510 -0.150 0.000 1.263 299 N CA -0.543 52.213 53.050 -0.490 0.000 0.959 299 N CB 0.488 38.622 38.487 -0.588 0.000 1.204 299 N HN 0.307 nan 8.380 nan 0.000 0.550 300 E N -1.125 119.064 120.200 -0.019 0.000 2.338 300 E HA 0.225 4.598 4.350 0.039 0.000 0.272 300 E C -0.089 176.545 176.600 0.057 0.000 1.029 300 E CA -0.009 56.425 56.400 0.056 0.000 0.872 300 E CB 0.702 30.392 29.700 -0.016 0.000 1.015 300 E HN 0.537 nan 8.360 nan 0.000 0.417 301 S N 0.933 116.747 115.700 0.191 0.000 2.548 301 S HA 0.022 4.515 4.470 0.039 0.000 0.215 301 S C 0.310 174.954 174.600 0.074 0.000 0.976 301 S CA 0.066 58.363 58.200 0.163 0.000 0.908 301 S CB 0.070 63.390 63.200 0.200 0.000 0.781 301 S HN 0.585 nan 8.310 nan 0.000 0.519 302 S N 2.060 117.664 115.700 -0.161 0.000 2.632 302 S HA 0.450 4.943 4.470 0.039 0.000 0.267 302 S C 0.409 174.876 174.600 -0.222 0.000 1.276 302 S CA -0.773 57.189 58.200 -0.397 0.000 0.998 302 S CB 0.816 63.444 63.200 -0.953 0.000 0.953 302 S HN 0.347 nan 8.310 nan 0.000 0.547 303 S N 0.593 116.181 115.700 -0.187 0.000 2.573 303 S HA 0.094 4.588 4.470 0.039 0.000 0.277 303 S C 1.211 175.741 174.600 -0.116 0.000 1.346 303 S CA -0.593 57.536 58.200 -0.119 0.000 1.034 303 S CB 0.276 63.417 63.200 -0.098 0.000 0.879 303 S HN 0.653 nan 8.310 nan 0.000 0.528 304 V N 1.699 121.573 119.914 -0.067 0.000 2.490 304 V HA -0.158 3.985 4.120 0.039 0.000 0.250 304 V C 2.735 178.792 176.094 -0.062 0.000 1.061 304 V CA 2.186 64.460 62.300 -0.044 0.000 1.064 304 V CB -1.281 30.531 31.823 -0.020 0.000 0.670 304 V HN 1.057 nan 8.190 nan 0.000 0.461 305 E N 0.277 120.437 120.200 -0.066 0.000 2.085 305 E HA -0.303 4.070 4.350 0.039 0.000 0.194 305 E C 1.811 178.360 176.600 -0.085 0.000 0.994 305 E CA 1.791 58.152 56.400 -0.064 0.000 0.801 305 E CB -0.092 29.575 29.700 -0.056 0.000 0.743 305 E HN 0.595 nan 8.360 nan 0.000 0.453 306 D N 0.557 120.883 120.400 -0.123 0.000 2.178 306 D HA -0.132 4.531 4.640 0.039 0.000 0.202 306 D C 1.479 177.652 176.300 -0.211 0.000 0.974 306 D CA 0.944 54.846 54.000 -0.164 0.000 0.841 306 D CB -0.296 40.364 40.800 -0.234 0.000 0.953 306 D HN 0.237 nan 8.370 nan 0.000 0.478 307 D N -0.022 120.252 120.400 -0.211 0.000 2.097 307 D HA -0.121 4.542 4.640 0.039 0.000 0.197 307 D C 2.354 178.565 176.300 -0.148 0.000 0.984 307 D CA 1.088 54.947 54.000 -0.234 0.000 0.826 307 D CB -0.331 40.401 40.800 -0.113 0.000 0.973 307 D HN 0.235 nan 8.370 nan 0.000 0.460 308 V N -0.780 119.090 119.914 -0.075 0.000 2.626 308 V HA -0.086 4.057 4.120 0.039 0.000 0.252 308 V C 2.082 178.154 176.094 -0.037 0.000 1.067 308 V CA 1.416 63.694 62.300 -0.035 0.000 1.081 308 V CB -0.374 31.434 31.823 -0.024 0.000 0.686 308 V HN 0.015 nan 8.190 nan 0.000 0.468 309 E N 2.139 122.303 120.200 -0.059 0.000 2.072 309 E HA -0.227 4.146 4.350 0.039 0.000 0.191 309 E C 2.263 178.845 176.600 -0.031 0.000 0.985 309 E CA 1.972 58.348 56.400 -0.041 0.000 0.801 309 E CB -0.054 29.617 29.700 -0.048 0.000 0.750 309 E HN 0.905 nan 8.360 nan 0.000 0.452 310 K N -1.203 119.149 120.400 -0.081 0.000 2.365 310 K HA 0.070 4.413 4.320 0.039 0.000 0.197 310 K C 1.221 177.853 176.600 0.053 0.000 1.042 310 K CA 0.940 57.199 56.287 -0.046 0.000 0.987 310 K CB 0.199 32.589 32.500 -0.184 0.000 0.779 310 K HN 0.125 nan 8.250 nan 0.000 0.484 311 G N 1.685 110.490 108.800 0.008 0.000 2.136 311 G HA2 -0.207 3.776 3.960 0.039 0.000 0.242 311 G HA3 -0.207 3.776 3.960 0.039 0.000 0.242 311 G C -0.401 174.663 174.900 0.275 0.000 0.989 311 G CA 0.388 45.563 45.100 0.126 0.000 0.682 311 G HN 0.534 nan 8.290 nan 0.000 0.522 312 W N -1.560 119.795 121.300 0.091 0.000 3.146 312 W HA 0.774 5.457 4.660 0.039 0.000 0.319 312 W C -0.898 175.696 176.519 0.126 0.000 1.258 312 W CA -0.834 56.580 57.345 0.116 0.000 1.189 312 W CB 1.100 30.613 29.460 0.087 0.000 1.412 312 W HN 0.751 nan 8.180 nan 0.000 0.567 313 S N 1.147 117.080 115.700 0.388 0.000 2.592 313 S HA 0.652 5.145 4.470 0.039 0.000 0.275 313 S C -0.463 174.227 174.600 0.150 0.000 1.169 313 S CA 0.529 58.847 58.200 0.197 0.000 0.958 313 S CB 0.664 64.027 63.200 0.272 0.000 1.095 313 S HN 2.063 nan 8.310 nan 0.000 0.471 314 G N 3.693 112.614 108.800 0.203 0.000 3.338 314 G HA2 0.084 4.067 3.960 0.039 0.000 0.686 314 G HA3 0.084 4.067 3.960 0.039 0.000 0.686 314 G C -0.876 174.158 174.900 0.224 0.000 1.053 314 G CA -0.283 44.932 45.100 0.193 0.000 0.852 314 G HN 1.452 nan 8.290 nan 0.000 0.545 315 I N -0.186 120.512 120.570 0.214 0.000 3.067 315 I HA 0.964 5.157 4.170 0.039 0.000 0.312 315 I C -0.510 175.723 176.117 0.193 0.000 1.073 315 I CA -1.478 59.898 61.300 0.128 0.000 1.016 315 I CB 2.175 40.219 38.000 0.073 0.000 1.227 315 I HN 0.572 nan 8.210 nan 0.000 0.456 316 Q N 2.356 122.278 119.800 0.203 0.000 2.293 316 Q HA 0.433 4.796 4.340 0.039 0.000 0.261 316 Q C -0.537 175.671 176.000 0.347 0.000 0.960 316 Q CA -0.395 55.576 55.803 0.280 0.000 0.882 316 Q CB 1.420 30.331 28.738 0.290 0.000 1.275 316 Q HN 0.855 nan 8.270 nan 0.000 0.445 317 T N 0.955 115.701 114.554 0.320 0.000 2.932 317 T HA 0.099 4.472 4.350 0.039 0.000 0.312 317 T C 0.700 175.539 174.700 0.232 0.000 1.071 317 T CA -0.717 61.596 62.100 0.355 0.000 1.128 317 T CB 0.365 69.434 68.868 0.336 0.000 0.984 317 T HN 0.664 nan 8.240 nan 0.000 0.549 318 I N 3.445 124.078 120.570 0.106 0.000 2.668 318 I HA 0.147 4.340 4.170 0.039 0.000 0.285 318 I C -2.133 173.880 176.117 -0.173 0.000 1.168 318 I CA -2.147 59.084 61.300 -0.116 0.000 1.424 318 I CB 0.243 38.116 38.000 -0.212 0.000 1.377 318 I HN 0.522 nan 8.210 nan 0.000 0.560 319 P HA 0.107 nan 4.420 nan 0.000 0.266 319 P C -1.120 175.970 177.300 -0.351 0.000 1.193 319 P CA 0.165 62.892 63.100 -0.621 0.000 0.770 319 P CB 0.438 31.584 31.700 -0.923 0.000 0.836 320 R N 1.609 121.932 120.500 -0.296 0.000 2.589 320 R HA 0.378 4.741 4.340 0.039 0.000 0.293 320 R C 0.121 176.315 176.300 -0.178 0.000 0.963 320 R CA -0.810 55.177 56.100 -0.188 0.000 0.905 320 R CB 1.331 31.559 30.300 -0.119 0.000 1.144 320 R HN 0.319 nan 8.270 nan 0.000 0.459 321 K N 3.935 124.307 120.400 -0.047 0.000 2.249 321 K HA 0.320 4.663 4.320 0.039 0.000 0.280 321 K C -0.584 176.075 176.600 0.099 0.000 1.033 321 K CA -0.345 55.978 56.287 0.059 0.000 0.946 321 K CB 0.520 33.157 32.500 0.228 0.000 1.005 321 K HN 0.623 nan 8.250 nan 0.000 0.469 322 I N 1.400 122.000 120.570 0.050 0.000 2.569 322 I HA 0.726 4.919 4.170 0.039 0.000 0.296 322 I C -1.070 175.173 176.117 0.210 0.000 1.028 322 I CA -0.854 60.416 61.300 -0.050 0.000 1.082 322 I CB 1.148 39.027 38.000 -0.202 0.000 1.264 322 I HN 0.796 nan 8.210 nan 0.000 0.429 323 W N 4.618 125.908 121.300 -0.016 0.000 3.003 323 W HA 0.684 5.367 4.660 0.038 0.000 0.362 323 W C -2.410 174.122 176.519 0.021 0.000 1.213 323 W CA -1.278 56.068 57.345 0.002 0.000 1.157 323 W CB 0.757 30.218 29.460 0.000 0.000 1.493 323 W HN 0.493 nan 8.180 nan 0.000 0.589 324 L N 3.049 124.408 121.223 0.227 0.000 2.312 324 L HA 0.280 4.644 4.340 0.039 0.000 0.281 324 L C -0.192 176.796 176.870 0.196 0.000 1.070 324 L CA -0.169 54.735 54.840 0.107 0.000 0.805 324 L CB 1.002 43.099 42.059 0.062 0.000 1.174 324 L HN 0.718 nan 8.230 nan 0.000 0.434 325 D N 2.876 123.345 120.400 0.116 0.000 2.399 325 D HA -0.004 4.659 4.640 0.039 0.000 0.241 325 D C 1.261 177.680 176.300 0.199 0.000 1.133 325 D CA 0.110 54.215 54.000 0.174 0.000 0.890 325 D CB 0.993 41.873 40.800 0.134 0.000 1.201 325 D HN 0.547 nan 8.370 nan 0.000 0.432 326 R N 1.425 122.074 120.500 0.249 0.000 2.103 326 R HA -0.199 4.164 4.340 0.039 0.000 0.242 326 R C 1.853 178.322 176.300 0.282 0.000 1.142 326 R CA 2.026 58.316 56.100 0.316 0.000 0.960 326 R CB -0.341 30.126 30.300 0.279 0.000 0.858 326 R HN 0.548 nan 8.270 nan 0.000 0.439 327 S N -1.076 114.746 115.700 0.203 0.000 2.555 327 S HA 0.048 4.541 4.470 0.039 0.000 0.230 327 S C 1.429 176.120 174.600 0.153 0.000 0.978 327 S CA 0.712 59.017 58.200 0.174 0.000 0.934 327 S CB -0.033 63.254 63.200 0.144 0.000 0.766 327 S HN 0.686 nan 8.310 nan 0.000 0.533 328 G N 1.376 110.255 108.800 0.133 0.000 2.168 328 G HA2 -0.289 3.695 3.960 0.039 0.000 0.263 328 G HA3 -0.289 3.695 3.960 0.039 0.000 0.263 328 G C 0.940 175.945 174.900 0.175 0.000 0.977 328 G CA 0.635 45.795 45.100 0.100 0.000 0.659 328 G HN 0.495 nan 8.290 nan 0.000 0.533 329 K N -0.035 120.490 120.400 0.209 0.000 2.262 329 K HA 0.117 4.460 4.320 0.039 0.000 0.200 329 K C 1.450 178.284 176.600 0.390 0.000 1.049 329 K CA 1.739 58.203 56.287 0.295 0.000 0.979 329 K CB 0.189 32.806 32.500 0.196 0.000 0.773 329 K HN 0.908 nan 8.250 nan 0.000 0.474 330 Q N -0.778 119.199 119.800 0.294 0.000 2.590 330 Q HA 0.496 4.859 4.340 0.039 0.000 0.295 330 Q C -0.974 175.153 176.000 0.211 0.000 0.973 330 Q CA -0.820 55.193 55.803 0.350 0.000 0.768 330 Q CB 1.187 30.123 28.738 0.329 0.000 1.479 330 Q HN -0.151 nan 8.270 nan 0.000 0.419 331 L N 1.177 122.509 121.223 0.181 0.000 2.379 331 L HA 0.569 4.932 4.340 0.039 0.000 0.269 331 L C -0.421 176.365 176.870 -0.141 0.000 1.084 331 L CA -0.875 53.914 54.840 -0.086 0.000 0.802 331 L CB 0.912 42.789 42.059 -0.303 0.000 1.175 331 L HN 0.542 nan 8.230 nan 0.000 0.448 332 I N 1.614 121.914 120.570 -0.449 0.000 2.441 332 I HA 0.355 4.549 4.170 0.039 0.000 0.295 332 I C -0.597 175.040 176.117 -0.800 0.000 0.994 332 I CA -0.590 60.331 61.300 -0.631 0.000 1.144 332 I CB 1.864 39.316 38.000 -0.914 0.000 1.314 332 I HN 0.591 nan 8.210 nan 0.000 0.445 333 Q N 5.238 124.810 119.800 -0.380 0.000 2.365 333 Q HA 0.496 4.859 4.340 0.039 0.000 0.269 333 Q C -1.552 174.503 176.000 0.092 0.000 1.061 333 Q CA -0.707 54.974 55.803 -0.203 0.000 0.816 333 Q CB 3.192 31.891 28.738 -0.065 0.000 1.325 333 Q HN 0.596 nan 8.270 nan 0.000 0.446 334 W N 3.034 124.246 121.300 -0.146 0.000 3.259 334 W HA 0.326 5.009 4.660 0.038 0.000 0.331 334 W C -2.970 173.432 176.519 -0.194 0.000 1.144 334 W CA -2.069 55.184 57.345 -0.154 0.000 1.227 334 W CB 1.888 31.407 29.460 0.097 0.000 1.371 334 W HN 0.443 nan 8.180 nan 0.000 0.491 335 P HA -0.100 nan 4.420 nan 0.000 0.262 335 P C 0.182 177.294 177.300 -0.314 0.000 1.182 335 P CA 0.408 63.185 63.100 -0.538 0.000 0.761 335 P CB 0.306 31.558 31.700 -0.746 0.000 0.795 336 V N 2.768 122.553 119.914 -0.215 0.000 2.752 336 V HA -0.080 4.064 4.120 0.039 0.000 0.306 336 V C 1.631 177.639 176.094 -0.143 0.000 1.099 336 V CA 0.141 62.349 62.300 -0.154 0.000 1.240 336 V CB -0.053 31.649 31.823 -0.202 0.000 0.887 336 V HN 0.475 nan 8.190 nan 0.000 0.499 337 R N 2.425 122.875 120.500 -0.084 0.000 2.193 337 R HA -0.123 4.240 4.340 0.039 0.000 0.229 337 R C 1.856 178.079 176.300 -0.128 0.000 1.110 337 R CA 1.493 57.543 56.100 -0.083 0.000 0.988 337 R CB -0.296 29.974 30.300 -0.049 0.000 0.871 337 R HN 0.915 nan 8.270 nan 0.000 0.458 338 E N 0.343 120.463 120.200 -0.133 0.000 2.209 338 E HA -0.121 4.252 4.350 0.039 0.000 0.196 338 E C 1.822 178.327 176.600 -0.159 0.000 0.993 338 E CA 0.642 56.960 56.400 -0.137 0.000 0.819 338 E CB -0.236 29.383 29.700 -0.136 0.000 0.745 338 E HN -0.005 nan 8.360 nan 0.000 0.477 339 V N 0.829 120.634 119.914 -0.182 0.000 2.720 339 V HA -0.251 3.893 4.120 0.039 0.000 0.256 339 V C 1.367 177.296 176.094 -0.276 0.000 1.082 339 V CA 1.747 63.916 62.300 -0.218 0.000 1.101 339 V CB -0.192 31.498 31.823 -0.222 0.000 0.693 339 V HN 0.272 nan 8.190 nan 0.000 0.479 340 E N -0.547 119.493 120.200 -0.266 0.000 2.409 340 E HA -0.159 4.215 4.350 0.039 0.000 0.198 340 E C 2.242 178.669 176.600 -0.287 0.000 1.024 340 E CA 0.505 56.711 56.400 -0.324 0.000 0.861 340 E CB -0.062 29.454 29.700 -0.306 0.000 0.788 340 E HN 0.580 nan 8.360 nan 0.000 0.521 341 R N 0.146 120.517 120.500 -0.215 0.000 2.148 341 R HA -0.026 4.338 4.340 0.039 0.000 0.223 341 R C 1.915 178.117 176.300 -0.163 0.000 1.088 341 R CA 0.636 56.636 56.100 -0.166 0.000 0.985 341 R CB -0.081 30.143 30.300 -0.128 0.000 0.880 341 R HN 0.168 nan 8.270 nan 0.000 0.451 342 L N 0.587 121.686 121.223 -0.207 0.000 2.465 342 L HA -0.027 4.336 4.340 0.039 0.000 0.224 342 L C 0.538 177.297 176.870 -0.184 0.000 1.145 342 L CA 0.450 55.169 54.840 -0.203 0.000 0.834 342 L CB -0.190 41.684 42.059 -0.309 0.000 0.944 342 L HN 0.023 nan 8.230 nan 0.000 0.451 343 R N 0.388 120.764 120.500 -0.206 0.000 2.489 343 R HA 0.104 4.467 4.340 0.039 0.000 0.287 343 R C 0.234 176.526 176.300 -0.013 0.000 1.053 343 R CA -0.116 55.904 56.100 -0.132 0.000 1.036 343 R CB 0.169 30.258 30.300 -0.351 0.000 0.966 343 R HN -0.012 nan 8.270 nan 0.000 0.432 344 T N 3.990 118.590 114.554 0.076 0.000 2.940 344 T HA -0.015 4.359 4.350 0.039 0.000 0.309 344 T C 1.401 176.177 174.700 0.126 0.000 1.056 344 T CA -0.308 61.842 62.100 0.083 0.000 1.137 344 T CB 0.623 69.541 68.868 0.084 0.000 0.976 344 T HN 0.413 nan 8.240 nan 0.000 0.547 345 K N 1.488 121.934 120.400 0.075 0.000 2.113 345 K HA -0.110 4.233 4.320 0.039 0.000 0.208 345 K C 1.121 177.780 176.600 0.098 0.000 1.047 345 K CA 1.151 57.485 56.287 0.078 0.000 0.928 345 K CB -0.126 32.399 32.500 0.041 0.000 0.716 345 K HN 0.520 nan 8.250 nan 0.000 0.446 346 Q N 0.715 120.560 119.800 0.075 0.000 2.332 346 Q HA 0.173 4.536 4.340 0.039 0.000 0.263 346 Q C -1.140 174.885 176.000 0.041 0.000 0.979 346 Q CA -0.013 55.817 55.803 0.045 0.000 0.885 346 Q CB 1.214 29.966 28.738 0.023 0.000 1.218 346 Q HN -0.008 nan 8.270 nan 0.000 0.405 347 V N 4.267 124.152 119.914 -0.048 0.000 2.567 347 V HA 0.467 4.610 4.120 0.039 0.000 0.298 347 V C -1.467 174.473 176.094 -0.257 0.000 1.047 347 V CA -0.976 61.176 62.300 -0.247 0.000 0.880 347 V CB 1.756 33.365 31.823 -0.356 0.000 1.009 347 V HN 0.788 nan 8.190 nan 0.000 0.429 348 K N 6.044 126.281 120.400 -0.272 0.000 2.339 348 K HA 0.375 4.718 4.320 0.039 0.000 0.286 348 K C -0.265 176.176 176.600 -0.266 0.000 1.050 348 K CA 0.365 56.531 56.287 -0.201 0.000 0.956 348 K CB 0.467 32.887 32.500 -0.134 0.000 0.990 348 K HN 0.863 nan 8.250 nan 0.000 0.475 349 N N 5.503 124.091 118.700 -0.186 0.000 2.346 349 N HA 0.363 5.126 4.740 0.039 0.000 0.289 349 N C -1.595 173.849 175.510 -0.110 0.000 1.027 349 N CA -0.536 52.407 53.050 -0.178 0.000 0.864 349 N CB 0.814 39.205 38.487 -0.160 0.000 1.370 349 N HN 0.496 nan 8.380 nan 0.000 0.481 350 L N 3.349 124.508 121.223 -0.105 0.000 2.408 350 L HA 0.630 4.994 4.340 0.039 0.000 0.268 350 L C -0.314 176.513 176.870 -0.071 0.000 0.986 350 L CA -0.850 53.948 54.840 -0.070 0.000 0.820 350 L CB 2.126 44.151 42.059 -0.057 0.000 1.303 350 L HN 0.565 nan 8.230 nan 0.000 0.411 351 R N 1.764 122.232 120.500 -0.053 0.000 2.707 351 R HA 0.455 4.818 4.340 0.039 0.000 0.272 351 R C -1.079 175.198 176.300 -0.038 0.000 1.011 351 R CA -0.922 55.147 56.100 -0.051 0.000 0.893 351 R CB 1.270 31.542 30.300 -0.047 0.000 1.233 351 R HN 0.654 nan 8.270 nan 0.000 0.464 352 N N 1.406 120.083 118.700 -0.039 0.000 2.696 352 N HA -0.131 4.632 4.740 0.039 0.000 0.256 352 N C -1.194 174.303 175.510 -0.021 0.000 1.031 352 N CA 1.083 54.115 53.050 -0.029 0.000 0.730 352 N CB -0.393 38.080 38.487 -0.024 0.000 0.894 352 N HN 0.568 nan 8.380 nan 0.000 0.544 353 K N 0.321 120.708 120.400 -0.021 0.000 2.259 353 K HA 0.532 4.875 4.320 0.039 0.000 0.252 353 K C 0.279 176.879 176.600 -0.000 0.000 0.936 353 K CA -0.737 55.547 56.287 -0.006 0.000 0.810 353 K CB 2.422 34.922 32.500 0.000 0.000 1.143 353 K HN 0.063 nan 8.250 nan 0.000 0.427 354 V N 0.816 120.733 119.914 0.005 0.000 2.311 354 V HA 0.421 4.564 4.120 0.039 0.000 0.275 354 V C 0.023 176.125 176.094 0.014 0.000 1.022 354 V CA -1.000 61.302 62.300 0.003 0.000 0.830 354 V CB 0.414 32.234 31.823 -0.005 0.000 1.012 354 V HN 0.527 nan 8.190 nan 0.000 0.452 355 L N 6.402 127.635 121.223 0.017 0.000 2.342 355 L HA 0.412 4.776 4.340 0.039 0.000 0.285 355 L C 0.928 177.797 176.870 -0.001 0.000 1.095 355 L CA -0.318 54.534 54.840 0.021 0.000 0.843 355 L CB 0.251 42.328 42.059 0.030 0.000 1.201 355 L HN 0.803 nan 8.230 nan 0.000 0.445 356 K N 1.355 121.764 120.400 0.015 0.000 2.117 356 K HA 0.277 4.620 4.320 0.039 0.000 0.240 356 K C 0.331 176.950 176.600 0.031 0.000 1.031 356 K CA -0.755 55.541 56.287 0.016 0.000 0.909 356 K CB 0.720 33.234 32.500 0.024 0.000 1.097 356 K HN 0.290 nan 8.250 nan 0.000 0.492 357 S N 0.009 115.734 115.700 0.041 0.000 2.673 357 S HA 0.166 4.659 4.470 0.039 0.000 0.308 357 S C 0.760 175.416 174.600 0.092 0.000 1.246 357 S CA 0.950 59.187 58.200 0.062 0.000 1.077 357 S CB -1.419 61.822 63.200 0.068 0.000 0.814 357 S HN 1.036 nan 8.310 nan 0.000 0.503 358 G N 3.609 112.511 108.800 0.171 0.000 2.326 358 G HA2 -0.165 3.818 3.960 0.039 0.000 0.286 358 G HA3 -0.165 3.818 3.960 0.039 0.000 0.286 358 G C -0.065 174.969 174.900 0.224 0.000 1.096 358 G CA 0.248 45.517 45.100 0.281 0.000 1.003 358 G HN 1.649 nan 8.290 nan 0.000 0.503 359 S N -1.258 114.547 115.700 0.176 0.000 2.632 359 S HA 0.927 5.420 4.470 0.039 0.000 0.289 359 S C -0.329 174.326 174.600 0.092 0.000 1.115 359 S CA -0.980 57.288 58.200 0.114 0.000 0.889 359 S CB 2.695 65.940 63.200 0.076 0.000 1.116 359 S HN 0.653 nan 8.310 nan 0.000 0.486 360 R N -0.167 120.394 120.500 0.102 0.000 2.771 360 R HA 0.665 5.028 4.340 0.039 0.000 0.274 360 R C -1.782 174.638 176.300 0.201 0.000 0.987 360 R CA -0.807 55.379 56.100 0.143 0.000 0.908 360 R CB 2.093 32.418 30.300 0.041 0.000 1.213 360 R HN 0.698 nan 8.270 nan 0.000 0.468 361 L N 1.564 122.947 121.223 0.267 0.000 2.457 361 L HA 0.348 4.712 4.340 0.039 0.000 0.266 361 L C -0.737 176.171 176.870 0.063 0.000 0.979 361 L CA -0.387 54.551 54.840 0.163 0.000 0.857 361 L CB 1.748 43.869 42.059 0.103 0.000 1.213 361 L HN 0.648 nan 8.230 nan 0.000 0.418 362 E N 2.796 122.907 120.200 -0.149 0.000 2.338 362 E HA 0.223 4.597 4.350 0.039 0.000 0.272 362 E C -1.032 175.205 176.600 -0.605 0.000 1.029 362 E CA -0.482 55.472 56.400 -0.743 0.000 0.872 362 E CB 1.392 30.449 29.700 -1.072 0.000 1.015 362 E HN 0.372 nan 8.360 nan 0.000 0.417 363 V N 6.251 125.842 119.914 -0.539 0.000 2.334 363 V HA 0.131 4.274 4.120 0.039 0.000 0.267 363 V C -0.579 175.326 176.094 -0.314 0.000 1.040 363 V CA -0.305 61.810 62.300 -0.308 0.000 0.866 363 V CB -0.441 31.274 31.823 -0.179 0.000 1.019 363 V HN 0.565 nan 8.190 nan 0.000 0.468 364 Y N 1.799 122.050 120.300 -0.082 0.000 2.316 364 Y HA 0.544 5.118 4.550 0.039 0.000 0.324 364 Y C 1.428 177.298 175.900 -0.051 0.000 1.267 364 Y CA 0.645 58.714 58.100 -0.052 0.000 1.311 364 Y CB 1.253 39.691 38.460 -0.036 0.000 1.267 364 Y HN 0.778 nan 8.280 nan 0.000 0.516 365 G N 0.604 109.493 108.800 0.148 0.000 2.212 365 G HA2 -0.090 3.894 3.960 0.039 0.000 0.255 365 G HA3 -0.090 3.894 3.960 0.039 0.000 0.255 365 G C -0.907 174.003 174.900 0.018 0.000 1.062 365 G CA 0.074 45.212 45.100 0.064 0.000 0.815 365 G HN 0.998 nan 8.290 nan 0.000 0.497 366 V N -3.241 116.676 119.914 0.005 0.000 2.971 366 V HA 0.877 5.021 4.120 0.039 0.000 0.309 366 V C 0.473 176.562 176.094 -0.010 0.000 1.130 366 V CA -0.378 61.918 62.300 -0.006 0.000 0.964 366 V CB 1.638 33.448 31.823 -0.021 0.000 1.029 366 V HN 1.211 nan 8.190 nan 0.000 0.427 367 T N 0.557 115.115 114.554 0.006 0.000 2.933 367 T HA 0.423 4.796 4.350 0.039 0.000 0.263 367 T C 1.196 175.889 174.700 -0.013 0.000 0.925 367 T CA 0.337 62.439 62.100 0.003 0.000 1.156 367 T CB 0.548 69.435 68.868 0.031 0.000 0.916 367 T HN 1.545 nan 8.240 nan 0.000 0.601 368 A N 2.886 125.680 122.820 -0.043 0.000 2.168 368 A HA 0.403 4.746 4.320 0.039 0.000 0.215 368 A C 2.342 179.901 177.584 -0.042 0.000 1.152 368 A CA 0.733 52.743 52.037 -0.045 0.000 0.716 368 A CB -0.535 18.416 19.000 -0.081 0.000 0.794 368 A HN 1.066 nan 8.150 nan 0.000 0.465 369 A N -1.828 120.940 122.820 -0.086 0.000 2.267 369 A HA 0.322 4.665 4.320 0.039 0.000 0.213 369 A C 0.909 178.267 177.584 -0.377 0.000 1.192 369 A CA 0.485 52.402 52.037 -0.199 0.000 0.851 369 A CB 0.036 18.923 19.000 -0.188 0.000 0.881 369 A HN 0.462 nan 8.150 nan 0.000 0.494 370 Q N -0.338 119.367 119.800 -0.159 0.000 3.147 370 Q HA 0.579 4.942 4.340 0.039 0.000 0.224 370 Q C -1.178 174.906 176.000 0.141 0.000 0.901 370 Q CA -0.098 55.721 55.803 0.027 0.000 0.729 370 Q CB 0.919 29.692 28.738 0.058 0.000 1.363 370 Q HN 0.480 nan 8.270 nan 0.000 0.467 371 A N 1.916 124.843 122.820 0.178 0.000 2.602 371 A HA 0.711 5.054 4.320 0.039 0.000 0.290 371 A C -1.951 175.728 177.584 0.158 0.000 1.114 371 A CA -0.651 51.464 52.037 0.130 0.000 0.683 371 A CB 2.056 21.111 19.000 0.091 0.000 1.281 371 A HN 0.495 nan 8.150 nan 0.000 0.416 372 D N -0.231 120.270 120.400 0.169 0.000 2.629 372 D HA 0.532 5.195 4.640 0.039 0.000 0.250 372 D C -1.625 174.863 176.300 0.312 0.000 1.126 372 D CA 0.036 54.158 54.000 0.203 0.000 0.852 372 D CB 1.862 42.729 40.800 0.113 0.000 1.335 372 D HN 0.780 nan 8.370 nan 0.000 0.518 373 V N 3.368 123.431 119.914 0.249 0.000 2.686 373 V HA 0.550 4.694 4.120 0.039 0.000 0.306 373 V C -1.395 174.833 176.094 0.224 0.000 1.065 373 V CA -0.442 61.981 62.300 0.205 0.000 0.894 373 V CB 1.838 33.734 31.823 0.122 0.000 1.004 373 V HN 0.563 nan 8.190 nan 0.000 0.424 374 E N 4.762 125.091 120.200 0.214 0.000 2.224 374 E HA 0.656 5.029 4.350 0.039 0.000 0.265 374 E C -1.510 175.147 176.600 0.095 0.000 0.878 374 E CA -0.603 55.926 56.400 0.216 0.000 0.759 374 E CB 2.468 32.359 29.700 0.319 0.000 1.164 374 E HN 0.609 nan 8.360 nan 0.000 0.414 375 V N 3.252 123.210 119.914 0.073 0.000 2.680 375 V HA 0.497 4.641 4.120 0.039 0.000 0.309 375 V C -0.354 175.661 176.094 -0.132 0.000 1.052 375 V CA -0.912 61.314 62.300 -0.123 0.000 0.908 375 V CB 1.775 33.432 31.823 -0.276 0.000 1.001 375 V HN 0.565 nan 8.190 nan 0.000 0.431 376 L N 3.860 124.931 121.223 -0.254 0.000 2.319 376 L HA 0.585 4.948 4.340 0.039 0.000 0.281 376 L C -1.222 175.480 176.870 -0.279 0.000 1.005 376 L CA -0.104 54.642 54.840 -0.156 0.000 0.828 376 L CB 1.489 43.513 42.059 -0.058 0.000 1.227 376 L HN 0.525 nan 8.230 nan 0.000 0.415 377 F N 2.935 122.922 119.950 0.062 0.000 2.415 377 F HA 0.413 4.963 4.527 0.039 0.000 0.348 377 F C 0.290 176.034 175.800 -0.093 0.000 1.119 377 F CA -0.686 57.306 58.000 -0.012 0.000 1.069 377 F CB 1.546 40.605 39.000 0.098 0.000 1.124 377 F HN 0.245 nan 8.300 nan 0.000 0.472 378 K N 3.352 123.774 120.400 0.036 0.000 2.265 378 K HA 0.548 4.891 4.320 0.039 0.000 0.267 378 K C -1.459 175.065 176.600 -0.127 0.000 0.994 378 K CA -0.467 55.794 56.287 -0.043 0.000 0.860 378 K CB 1.173 33.649 32.500 -0.040 0.000 1.099 378 K HN 0.403 nan 8.250 nan 0.000 0.448 379 V N 6.506 126.326 119.914 -0.156 0.000 2.546 379 V HA 0.318 4.461 4.120 0.039 0.000 0.284 379 V C 1.388 177.393 176.094 -0.148 0.000 1.050 379 V CA -0.441 61.738 62.300 -0.202 0.000 0.981 379 V CB 1.234 32.936 31.823 -0.201 0.000 0.990 379 V HN 0.822 nan 8.190 nan 0.000 0.474 380 R N 1.696 122.116 120.500 -0.132 0.000 2.052 380 R HA 0.036 4.400 4.340 0.039 0.000 0.224 380 R C 0.163 176.410 176.300 -0.089 0.000 1.165 380 R CA 1.012 57.056 56.100 -0.093 0.000 0.939 380 R CB 0.111 30.367 30.300 -0.074 0.000 0.834 380 R HN 0.731 nan 8.270 nan 0.000 0.435 381 D N -0.228 120.121 120.400 -0.085 0.000 2.471 381 D HA 0.152 4.815 4.640 0.039 0.000 0.245 381 D C 0.420 176.668 176.300 -0.086 0.000 1.116 381 D CA -0.167 53.790 54.000 -0.072 0.000 0.853 381 D CB 1.497 42.274 40.800 -0.039 0.000 1.123 381 D HN -0.030 nan 8.370 nan 0.000 0.540 382 L N 2.969 124.111 121.223 -0.135 0.000 2.291 382 L HA -0.026 4.337 4.340 0.039 0.000 0.214 382 L C 1.962 178.829 176.870 -0.004 0.000 1.120 382 L CA 0.784 55.511 54.840 -0.187 0.000 0.799 382 L CB 0.000 41.773 42.059 -0.478 0.000 0.925 382 L HN 0.563 nan 8.230 nan 0.000 0.446 383 E N -0.714 119.506 120.200 0.034 0.000 2.502 383 E HA -0.101 4.273 4.350 0.039 0.000 0.194 383 E C 1.324 177.959 176.600 0.057 0.000 1.062 383 E CA 0.154 56.606 56.400 0.087 0.000 0.867 383 E CB 0.112 29.853 29.700 0.068 0.000 0.888 383 E HN 0.247 nan 8.360 nan 0.000 0.510 384 K N 0.830 121.250 120.400 0.034 0.000 2.400 384 K HA 0.182 4.525 4.320 0.039 0.000 0.194 384 K C 0.735 177.366 176.600 0.051 0.000 1.033 384 K CA 0.467 56.770 56.287 0.027 0.000 1.021 384 K CB 0.269 32.776 32.500 0.011 0.000 0.808 384 K HN 0.214 nan 8.250 nan 0.000 0.505 385 A N 2.449 125.315 122.820 0.075 0.000 2.477 385 A HA 0.099 4.442 4.320 0.039 0.000 0.246 385 A C -0.594 177.062 177.584 0.119 0.000 1.078 385 A CA -0.354 51.740 52.037 0.095 0.000 0.770 385 A CB -0.030 19.055 19.000 0.143 0.000 1.011 385 A HN 0.172 nan 8.150 nan 0.000 0.494 386 D N 0.684 121.164 120.400 0.133 0.000 2.362 386 D HA 0.371 5.034 4.640 0.039 0.000 0.242 386 D C -0.126 176.313 176.300 0.231 0.000 1.132 386 D CA -0.209 53.897 54.000 0.177 0.000 0.907 386 D CB 0.541 41.486 40.800 0.242 0.000 1.195 386 D HN 0.220 nan 8.370 nan 0.000 0.429 387 V N 1.984 121.974 119.914 0.127 0.000 2.498 387 V HA 0.117 4.260 4.120 0.039 0.000 0.279 387 V C 0.708 176.796 176.094 -0.011 0.000 1.048 387 V CA -0.834 61.502 62.300 0.061 0.000 0.967 387 V CB 1.118 32.931 31.823 -0.017 0.000 0.988 387 V HN 0.523 nan 8.190 nan 0.000 0.473 388 I N 2.970 123.505 120.570 -0.058 0.000 2.752 388 I HA 0.052 4.245 4.170 0.039 0.000 0.289 388 I C 0.858 176.717 176.117 -0.429 0.000 1.197 388 I CA 0.100 61.206 61.300 -0.323 0.000 1.432 388 I CB 0.634 38.481 38.000 -0.254 0.000 1.359 388 I HN 0.746 nan 8.210 nan 0.000 0.571 389 E N 9.798 129.502 120.200 -0.828 0.000 2.415 389 E HA 0.069 4.442 4.350 0.039 0.000 0.263 389 E C -1.587 174.698 176.600 -0.525 0.000 0.995 389 E CA -1.159 54.716 56.400 -0.875 0.000 0.915 389 E CB 0.719 29.393 29.700 -1.710 0.000 0.951 389 E HN 0.356 nan 8.360 nan 0.000 0.449 390 P HA -0.258 nan 4.420 nan 0.000 0.216 390 P C 0.316 177.600 177.300 -0.027 0.000 1.167 390 P CA 1.762 64.788 63.100 -0.122 0.000 0.933 390 P CB -0.083 31.568 31.700 -0.082 0.000 0.793 391 S N -2.969 112.763 115.700 0.053 0.000 2.596 391 S HA 0.128 4.621 4.470 0.039 0.000 0.248 391 S C -0.507 174.315 174.600 0.370 0.000 1.162 391 S CA -0.816 57.483 58.200 0.166 0.000 1.185 391 S CB -1.183 62.101 63.200 0.140 0.000 0.833 391 S HN 0.025 nan 8.310 nan 0.000 0.472 392 W N 2.630 123.912 121.300 -0.031 0.000 2.298 392 W HA 0.444 5.127 4.660 0.039 0.000 0.327 392 W C 1.112 177.655 176.519 0.039 0.000 0.988 392 W CA -1.127 56.206 57.345 -0.020 0.000 1.448 392 W CB 0.577 29.984 29.460 -0.090 0.000 1.243 392 W HN 0.504 nan 8.180 nan 0.000 0.388 393 T N -3.032 111.659 114.554 0.229 0.000 2.989 393 T HA 0.025 4.399 4.350 0.039 0.000 0.250 393 T C 0.112 174.959 174.700 0.244 0.000 0.981 393 T CA 0.067 62.300 62.100 0.221 0.000 0.980 393 T CB 0.200 69.149 68.868 0.135 0.000 1.133 393 T HN 0.050 nan 8.240 nan 0.000 0.489 394 D N 3.901 124.359 120.400 0.096 0.000 2.339 394 D HA 0.271 4.934 4.640 0.039 0.000 0.241 394 D C -1.429 174.782 176.300 -0.148 0.000 1.183 394 D CA -2.450 51.546 54.000 -0.007 0.000 0.859 394 D CB 1.946 42.728 40.800 -0.030 0.000 1.067 394 D HN 0.052 nan 8.370 nan 0.000 0.484 395 P HA -0.156 nan 4.420 nan 0.000 0.221 395 P C 1.241 178.312 177.300 -0.382 0.000 1.150 395 P CA 0.818 63.510 63.100 -0.680 0.000 0.800 395 P CB 0.445 31.381 31.700 -1.273 0.000 0.787 396 Q N -0.634 119.013 119.800 -0.255 0.000 2.172 396 Q HA -0.083 4.280 4.340 0.039 0.000 0.200 396 Q C 1.965 177.871 176.000 -0.158 0.000 0.964 396 Q CA 0.770 56.477 55.803 -0.160 0.000 0.855 396 Q CB -0.321 28.374 28.738 -0.071 0.000 0.918 396 Q HN 0.102 nan 8.270 nan 0.000 0.444 397 L N 0.620 121.738 121.223 -0.175 0.000 2.156 397 L HA -0.156 4.207 4.340 0.039 0.000 0.208 397 L C 2.032 178.724 176.870 -0.297 0.000 1.095 397 L CA 0.912 55.629 54.840 -0.204 0.000 0.770 397 L CB -0.363 41.577 42.059 -0.198 0.000 0.914 397 L HN 0.300 nan 8.230 nan 0.000 0.439 398 I N -1.507 118.863 120.570 -0.334 0.000 2.179 398 I HA -0.292 3.901 4.170 0.039 0.000 0.242 398 I C 2.469 178.477 176.117 -0.182 0.000 1.088 398 I CA 1.123 62.195 61.300 -0.381 0.000 1.357 398 I CB -1.859 36.009 38.000 -0.220 0.000 1.051 398 I HN 0.271 nan 8.210 nan 0.000 0.409 399 c N 1.105 119.628 118.600 -0.129 0.000 2.432 399 c HA -0.048 4.546 4.570 0.039 0.000 0.282 399 c C 3.079 177.146 174.090 -0.038 0.000 1.388 399 c CA 1.138 57.435 56.329 -0.052 0.000 1.777 399 c CB -1.226 41.208 42.510 -0.127 0.000 1.882 399 c HN 0.673 nan 8.230 nan 0.000 0.520 400 S N 0.391 116.035 115.700 -0.093 0.000 2.456 400 S HA 0.038 4.531 4.470 0.039 0.000 0.224 400 S C 1.606 176.160 174.600 -0.076 0.000 1.035 400 S CA 0.302 58.452 58.200 -0.083 0.000 0.940 400 S CB -0.310 62.830 63.200 -0.101 0.000 0.799 400 S HN 0.605 nan 8.310 nan 0.000 0.508 401 K N 1.348 121.678 120.400 -0.117 0.000 2.097 401 K HA 0.109 4.452 4.320 0.039 0.000 0.205 401 K C 0.845 177.421 176.600 -0.040 0.000 1.050 401 K CA 1.063 57.285 56.287 -0.108 0.000 0.938 401 K CB -0.180 32.189 32.500 -0.218 0.000 0.718 401 K HN 0.607 nan 8.250 nan 0.000 0.442 402 M N 1.312 120.905 119.600 -0.012 0.000 2.022 402 M HA 0.297 4.800 4.480 0.039 0.000 0.298 402 M C -1.228 175.128 176.300 0.093 0.000 0.909 402 M CA -1.041 54.296 55.300 0.061 0.000 0.914 402 M CB 1.200 33.877 32.600 0.128 0.000 1.486 402 M HN -0.131 nan 8.290 nan 0.000 0.415 403 N N 2.134 120.872 118.700 0.063 0.000 2.290 403 N HA 0.268 5.031 4.740 0.039 0.000 0.269 403 N C 1.207 176.741 175.510 0.039 0.000 1.295 403 N CA -0.379 52.717 53.050 0.078 0.000 0.932 403 N CB 0.059 38.569 38.487 0.037 0.000 1.128 403 N HN 0.549 nan 8.380 nan 0.000 0.532 404 V N -4.333 115.590 119.914 0.015 0.000 2.688 404 V HA -0.190 3.953 4.120 0.039 0.000 0.256 404 V C 2.074 178.157 176.094 -0.019 0.000 1.084 404 V CA 1.885 64.165 62.300 -0.034 0.000 1.103 404 V CB -1.065 30.791 31.823 0.055 0.000 0.688 404 V HN 0.726 nan 8.190 nan 0.000 0.480 405 S N -0.227 115.437 115.700 -0.060 0.000 2.436 405 S HA 0.070 4.563 4.470 0.039 0.000 0.228 405 S C 0.883 175.428 174.600 -0.091 0.000 1.014 405 S CA 0.465 58.589 58.200 -0.126 0.000 0.950 405 S CB -0.353 62.790 63.200 -0.096 0.000 0.784 405 S HN 0.508 nan 8.310 nan 0.000 0.504 406 V N 4.578 124.473 119.914 -0.031 0.000 2.432 406 V HA 0.313 4.456 4.120 0.039 0.000 0.271 406 V C 0.029 176.121 176.094 -0.003 0.000 1.046 406 V CA -0.635 61.666 62.300 0.000 0.000 0.945 406 V CB 0.856 32.714 31.823 0.058 0.000 0.992 406 V HN 0.381 nan 8.190 nan 0.000 0.471 407 K N 2.927 123.291 120.400 -0.060 0.000 2.138 407 K HA 0.727 5.070 4.320 0.039 0.000 0.263 407 K C -0.510 176.053 176.600 -0.061 0.000 0.965 407 K CA -0.463 55.740 56.287 -0.140 0.000 0.868 407 K CB 1.779 34.050 32.500 -0.382 0.000 1.083 407 K HN 0.466 nan 8.250 nan 0.000 0.443 408 S N 0.814 116.515 115.700 0.003 0.000 2.718 408 S HA 0.339 4.832 4.470 0.039 0.000 0.300 408 S C 1.288 176.011 174.600 0.204 0.000 1.117 408 S CA -0.443 57.837 58.200 0.134 0.000 1.002 408 S CB 1.542 64.780 63.200 0.063 0.000 1.092 408 S HN 0.836 nan 8.310 nan 0.000 0.542 409 G N 0.574 109.561 108.800 0.312 0.000 2.491 409 G HA2 -0.086 3.897 3.960 0.039 0.000 0.218 409 G HA3 -0.086 3.897 3.960 0.039 0.000 0.218 409 G C 0.084 175.081 174.900 0.163 0.000 1.180 409 G CA 0.837 46.117 45.100 0.300 0.000 0.774 409 G HN 0.525 nan 8.290 nan 0.000 0.562 410 L N 0.654 121.923 121.223 0.077 0.000 2.316 410 L HA 0.623 4.986 4.340 0.039 0.000 0.280 410 L C 0.373 177.300 176.870 0.095 0.000 1.006 410 L CA -0.035 54.858 54.840 0.087 0.000 0.836 410 L CB 1.287 43.386 42.059 0.068 0.000 1.221 410 L HN 0.504 nan 8.230 nan 0.000 0.418 411 G N 3.999 112.911 108.800 0.186 0.000 2.617 411 G HA2 -0.073 3.910 3.960 0.039 0.000 0.686 411 G HA3 -0.073 3.910 3.960 0.039 0.000 0.686 411 G C -3.303 171.591 174.900 -0.010 0.000 1.214 411 G CA -1.162 43.977 45.100 0.064 0.000 0.796 411 G HN 0.319 nan 8.290 nan 0.000 0.654 412 P HA 0.602 nan 4.420 nan 0.000 0.281 412 P C -0.659 176.395 177.300 -0.410 0.000 1.252 412 P CA -0.212 62.716 63.100 -0.286 0.000 0.778 412 P CB 0.452 31.774 31.700 -0.629 0.000 0.895 413 F N 0.705 120.324 119.950 -0.551 0.000 2.569 413 F HA 0.892 5.442 4.527 0.039 0.000 0.312 413 F C 0.101 175.349 175.800 -0.920 0.000 1.109 413 F CA -0.653 56.772 58.000 -0.959 0.000 0.919 413 F CB 1.689 40.225 39.000 -0.773 0.000 1.211 413 F HN 0.669 nan 8.300 nan 0.000 0.446 414 G N 2.277 110.548 108.800 -0.882 0.000 2.566 414 G HA2 0.324 4.308 3.960 0.039 0.000 0.138 414 G HA3 0.324 4.308 3.960 0.039 0.000 0.138 414 G C -2.215 172.837 174.900 0.253 0.000 1.133 414 G CA -0.827 44.165 45.100 -0.179 0.000 1.037 414 G HN 0.791 nan 8.290 nan 0.000 0.491 415 L N 0.496 121.988 121.223 0.448 0.000 2.342 415 L HA 0.740 5.104 4.340 0.039 0.000 0.271 415 L C -0.247 176.916 176.870 0.489 0.000 1.008 415 L CA -0.688 54.443 54.840 0.485 0.000 0.818 415 L CB 2.158 44.406 42.059 0.314 0.000 1.296 415 L HN 0.421 nan 8.230 nan 0.000 0.427 416 M N 3.721 123.524 119.600 0.338 0.000 2.072 416 M HA 0.399 4.902 4.480 0.039 0.000 0.331 416 M C -0.593 175.844 176.300 0.228 0.000 1.004 416 M CA -0.729 54.665 55.300 0.157 0.000 0.952 416 M CB 1.684 34.229 32.600 -0.092 0.000 1.511 416 M HN 0.400 nan 8.290 nan 0.000 0.422 417 V N 1.872 121.899 119.914 0.188 0.000 2.975 417 V HA 0.616 4.759 4.120 0.039 0.000 0.318 417 V C 0.386 176.568 176.094 0.146 0.000 1.077 417 V CA -1.078 61.315 62.300 0.155 0.000 1.000 417 V CB 1.646 33.540 31.823 0.117 0.000 1.066 417 V HN 0.914 nan 8.190 nan 0.000 0.452 418 L N 0.487 121.780 121.223 0.117 0.000 3.823 418 L HA -0.129 4.234 4.340 0.039 0.000 0.525 418 L C 0.361 177.325 176.870 0.156 0.000 1.247 418 L CA 0.883 55.786 54.840 0.105 0.000 0.776 418 L CB -1.491 40.606 42.059 0.064 0.000 1.443 418 L HN 1.199 nan 8.230 nan 0.000 0.831 419 A N 0.708 123.660 122.820 0.219 0.000 2.350 419 A HA 0.810 5.153 4.320 0.039 0.000 0.324 419 A C 0.421 178.193 177.584 0.312 0.000 1.118 419 A CA 0.165 52.377 52.037 0.291 0.000 0.783 419 A CB 1.431 20.670 19.000 0.398 0.000 1.236 419 A HN 0.503 nan 8.150 nan 0.000 0.457 420 S N 1.796 117.653 115.700 0.262 0.000 2.603 420 S HA 0.242 4.735 4.470 0.039 0.000 0.268 420 S C 0.888 175.662 174.600 0.289 0.000 1.317 420 S CA -0.259 58.094 58.200 0.255 0.000 1.012 420 S CB 0.860 64.160 63.200 0.167 0.000 0.926 420 S HN 0.688 nan 8.310 nan 0.000 0.539 421 K N 1.892 122.472 120.400 0.299 0.000 2.032 421 K HA -0.221 4.122 4.320 0.039 0.000 0.218 421 K C 1.068 177.707 176.600 0.064 0.000 1.054 421 K CA 2.385 58.755 56.287 0.140 0.000 0.941 421 K CB -0.585 32.008 32.500 0.155 0.000 0.720 421 K HN 0.725 nan 8.250 nan 0.000 0.449 422 N N 0.314 119.055 118.700 0.068 0.000 2.313 422 N HA 0.122 4.886 4.740 0.039 0.000 0.207 422 N C -0.840 174.677 175.510 0.011 0.000 1.141 422 N CA -0.039 53.026 53.050 0.026 0.000 0.830 422 N CB 0.295 38.801 38.487 0.031 0.000 1.008 422 N HN 0.043 nan 8.380 nan 0.000 0.481 423 L N -0.113 121.131 121.223 0.035 0.000 3.634 423 L HA -0.256 4.107 4.340 0.039 0.000 0.423 423 L C 0.701 177.659 176.870 0.146 0.000 1.253 423 L CA 0.625 55.500 54.840 0.060 0.000 0.885 423 L CB -1.644 40.332 42.059 -0.139 0.000 1.789 423 L HN 0.234 nan 8.230 nan 0.000 0.904 424 E N -0.377 119.887 120.200 0.107 0.000 2.158 424 E HA 0.039 4.412 4.350 0.039 0.000 0.191 424 E C 0.394 177.016 176.600 0.036 0.000 0.982 424 E CA 1.114 57.554 56.400 0.068 0.000 0.823 424 E CB 0.161 29.889 29.700 0.046 0.000 0.766 424 E HN 0.624 nan 8.360 nan 0.000 0.468 425 E N -0.262 119.981 120.200 0.073 0.000 2.210 425 E HA 0.406 4.779 4.350 0.039 0.000 0.266 425 E C -1.356 175.311 176.600 0.113 0.000 0.883 425 E CA -0.845 55.557 56.400 0.004 0.000 0.761 425 E CB 1.597 31.318 29.700 0.035 0.000 1.156 425 E HN 0.057 nan 8.360 nan 0.000 0.412 426 Y N -1.785 118.507 120.300 -0.013 0.000 2.521 426 Y HA 0.449 5.022 4.550 0.039 0.000 0.332 426 Y C -1.133 174.749 175.900 -0.030 0.000 1.121 426 Y CA -1.143 56.947 58.100 -0.017 0.000 1.037 426 Y CB 1.063 39.482 38.460 -0.068 0.000 1.330 426 Y HN 0.142 nan 8.280 nan 0.000 0.452 427 T N 2.962 117.597 114.554 0.135 0.000 2.756 427 T HA 0.513 4.886 4.350 0.039 0.000 0.290 427 T C -0.460 174.335 174.700 0.159 0.000 0.985 427 T CA -0.777 61.367 62.100 0.075 0.000 0.955 427 T CB 0.604 69.484 68.868 0.021 0.000 0.930 427 T HN 0.765 nan 8.240 nan 0.000 0.451 428 S N 2.247 118.059 115.700 0.187 0.000 2.462 428 S HA 0.678 5.172 4.470 0.039 0.000 0.294 428 S C -0.340 174.409 174.600 0.247 0.000 1.144 428 S CA -0.779 57.557 58.200 0.227 0.000 1.088 428 S CB 1.062 64.381 63.200 0.198 0.000 1.009 428 S HN 0.415 nan 8.310 nan 0.000 0.484 429 V N 4.899 124.965 119.914 0.254 0.000 2.407 429 V HA 0.611 4.755 4.120 0.039 0.000 0.291 429 V C -0.885 175.254 176.094 0.075 0.000 1.018 429 V CA -0.663 61.676 62.300 0.065 0.000 0.842 429 V CB 0.078 31.902 31.823 0.003 0.000 0.996 429 V HN 0.978 nan 8.190 nan 0.000 0.426 430 Y N 2.941 123.114 120.300 -0.212 0.000 2.644 430 Y HA 0.878 5.451 4.550 0.039 0.000 0.338 430 Y C -1.639 173.850 175.900 -0.685 0.000 1.119 430 Y CA -1.943 55.913 58.100 -0.407 0.000 1.060 430 Y CB 1.326 39.696 38.460 -0.150 0.000 1.294 430 Y HN 0.327 nan 8.280 nan 0.000 0.472 431 F N 0.977 120.667 119.950 -0.433 0.000 2.507 431 F HA 0.792 5.342 4.527 0.038 0.000 0.327 431 F C -0.028 175.495 175.800 -0.462 0.000 1.068 431 F CA -0.964 56.697 58.000 -0.564 0.000 0.965 431 F CB 2.116 40.574 39.000 -0.903 0.000 1.192 431 F HN 0.368 nan 8.300 nan 0.000 0.476 432 R N 2.110 122.595 120.500 -0.026 0.000 2.621 432 R HA 0.669 5.033 4.340 0.039 0.000 0.284 432 R C -1.602 174.592 176.300 -0.176 0.000 0.998 432 R CA -0.809 55.218 56.100 -0.122 0.000 0.895 432 R CB 2.601 32.886 30.300 -0.025 0.000 1.195 432 R HN 0.569 nan 8.270 nan 0.000 0.450 433 I N 3.390 123.786 120.570 -0.291 0.000 2.406 433 I HA 0.415 4.608 4.170 0.039 0.000 0.290 433 I C -0.833 175.087 176.117 -0.329 0.000 0.999 433 I CA -0.531 60.674 61.300 -0.158 0.000 1.124 433 I CB 1.046 39.051 38.000 0.008 0.000 1.289 433 I HN 0.345 nan 8.210 nan 0.000 0.441 434 F N 3.934 124.009 119.950 0.208 0.000 2.575 434 F HA 0.529 5.079 4.527 0.039 0.000 0.330 434 F C 0.236 176.131 175.800 0.159 0.000 1.056 434 F CA -0.978 57.122 58.000 0.167 0.000 0.964 434 F CB 1.235 40.316 39.000 0.136 0.000 1.258 434 F HN 0.183 nan 8.300 nan 0.000 0.484 435 K N 1.174 121.726 120.400 0.253 0.000 2.201 435 K HA 0.658 5.001 4.320 0.039 0.000 0.278 435 K C -0.283 176.284 176.600 -0.055 0.000 1.027 435 K CA -0.662 55.602 56.287 -0.037 0.000 0.909 435 K CB 1.400 33.847 32.500 -0.089 0.000 1.062 435 K HN 0.712 nan 8.250 nan 0.000 0.465 436 A N 2.149 124.874 122.820 -0.159 0.000 2.366 436 A HA 0.093 4.436 4.320 0.039 0.000 0.249 436 A C 0.898 178.409 177.584 -0.121 0.000 1.084 436 A CA -0.115 51.850 52.037 -0.120 0.000 0.794 436 A CB 0.428 19.353 19.000 -0.125 0.000 1.034 436 A HN 0.800 nan 8.150 nan 0.000 0.491 437 R N -0.262 120.178 120.500 -0.100 0.000 2.323 437 R HA 0.031 4.395 4.340 0.039 0.000 0.198 437 R C 0.611 176.865 176.300 -0.077 0.000 0.988 437 R CA 0.709 56.757 56.100 -0.088 0.000 1.041 437 R CB -0.371 29.880 30.300 -0.081 0.000 0.926 437 R HN 0.888 nan 8.270 nan 0.000 0.476 438 Q N -0.614 119.137 119.800 -0.082 0.000 2.471 438 Q HA 0.087 4.450 4.340 0.039 0.000 0.223 438 Q C 0.606 176.568 176.000 -0.064 0.000 1.045 438 Q CA -0.153 55.610 55.803 -0.066 0.000 0.956 438 Q CB 0.465 29.165 28.738 -0.062 0.000 1.249 438 Q HN 0.095 nan 8.270 nan 0.000 0.549 439 N N -0.195 118.477 118.700 -0.046 0.000 2.331 439 N HA -0.068 4.696 4.740 0.039 0.000 0.180 439 N C 0.281 175.769 175.510 -0.037 0.000 1.019 439 N CA 0.680 53.708 53.050 -0.038 0.000 0.881 439 N CB 0.049 38.521 38.487 -0.026 0.000 0.972 439 N HN 0.541 nan 8.380 nan 0.000 0.435 440 S N 0.260 115.936 115.700 -0.039 0.000 2.707 440 S HA 0.288 4.782 4.470 0.039 0.000 0.276 440 S C 0.243 174.812 174.600 -0.052 0.000 1.179 440 S CA -0.782 57.401 58.200 -0.028 0.000 0.992 440 S CB 0.841 64.034 63.200 -0.012 0.000 1.030 440 S HN -0.074 nan 8.310 nan 0.000 0.554 441 N N 1.136 119.830 118.700 -0.009 0.000 3.127 441 N HA 0.245 5.008 4.740 0.039 0.000 0.317 441 N C -0.745 174.770 175.510 0.009 0.000 1.242 441 N CA 0.123 53.176 53.050 0.007 0.000 1.203 441 N CB -0.461 38.128 38.487 0.170 0.000 1.462 441 N HN 0.463 nan 8.380 nan 0.000 0.546 442 K N 0.807 121.117 120.400 -0.151 0.000 2.138 442 K HA 0.393 4.736 4.320 0.039 0.000 0.263 442 K C -1.328 175.106 176.600 -0.278 0.000 0.965 442 K CA -0.432 55.811 56.287 -0.073 0.000 0.868 442 K CB 0.590 33.061 32.500 -0.049 0.000 1.083 442 K HN 0.090 nan 8.250 nan 0.000 0.443 443 Y N 1.246 121.575 120.300 0.049 0.000 2.485 443 Y HA 0.479 5.052 4.550 0.039 0.000 0.345 443 Y C -0.663 175.271 175.900 0.057 0.000 0.998 443 Y CA -1.140 56.994 58.100 0.057 0.000 1.059 443 Y CB 2.056 40.547 38.460 0.051 0.000 1.234 443 Y HN 0.108 nan 8.280 nan 0.000 0.461 444 V N 4.045 124.103 119.914 0.240 0.000 2.347 444 V HA 0.378 4.521 4.120 0.039 0.000 0.280 444 V C -0.599 175.679 176.094 0.306 0.000 1.021 444 V CA -0.921 61.494 62.300 0.191 0.000 0.847 444 V CB 1.048 32.949 31.823 0.130 0.000 0.990 444 V HN 0.562 nan 8.190 nan 0.000 0.444 445 V N 4.302 124.373 119.914 0.262 0.000 2.370 445 V HA 0.674 4.818 4.120 0.039 0.000 0.279 445 V C -0.466 175.862 176.094 0.390 0.000 1.029 445 V CA -0.743 61.715 62.300 0.264 0.000 0.870 445 V CB 1.345 33.252 31.823 0.141 0.000 0.984 445 V HN 0.626 nan 8.190 nan 0.000 0.451 446 L N 5.391 126.844 121.223 0.385 0.000 2.317 446 L HA 0.726 5.090 4.340 0.039 0.000 0.281 446 L C -0.340 176.623 176.870 0.154 0.000 1.024 446 L CA -0.571 54.459 54.840 0.317 0.000 0.810 446 L CB 1.581 43.873 42.059 0.388 0.000 1.240 446 L HN 0.931 nan 8.230 nan 0.000 0.427 447 M N 5.498 125.075 119.600 -0.038 0.000 2.190 447 M HA 0.475 4.978 4.480 0.039 0.000 0.312 447 M C -1.770 174.289 176.300 -0.401 0.000 0.990 447 M CA -0.284 54.849 55.300 -0.278 0.000 0.927 447 M CB 1.046 33.538 32.600 -0.180 0.000 1.571 447 M HN 0.704 nan 8.290 nan 0.000 0.427 448 c N 1.820 120.032 118.600 -0.647 0.000 2.493 448 c HA 0.725 5.319 4.570 0.039 0.000 0.326 448 c C 0.180 173.975 174.090 -0.492 0.000 1.200 448 c CA -0.684 55.271 56.329 -0.624 0.000 1.739 448 c CB 1.770 43.714 42.510 -0.943 0.000 2.300 448 c HN 0.831 nan 8.230 nan 0.000 0.500 449 S N 1.434 116.980 115.700 -0.256 0.000 2.622 449 S HA 0.303 4.796 4.470 0.039 0.000 0.283 449 S C -1.188 173.350 174.600 -0.104 0.000 1.197 449 S CA -0.220 57.904 58.200 -0.127 0.000 1.146 449 S CB 0.002 63.191 63.200 -0.019 0.000 1.007 449 S HN 0.801 nan 8.310 nan 0.000 0.478 450 D N 3.234 123.613 120.400 -0.034 0.000 2.317 450 D HA 0.272 4.935 4.640 0.039 0.000 0.234 450 D C 0.460 176.730 176.300 -0.049 0.000 1.112 450 D CA -0.269 53.724 54.000 -0.012 0.000 0.840 450 D CB 1.086 41.978 40.800 0.153 0.000 1.078 450 D HN 0.633 nan 8.370 nan 0.000 0.486 451 Q N 1.973 121.696 119.800 -0.129 0.000 2.135 451 Q HA 0.079 4.443 4.340 0.039 0.000 0.231 451 Q C 0.839 176.740 176.000 -0.165 0.000 0.817 451 Q CA -0.178 55.538 55.803 -0.145 0.000 1.073 451 Q CB -0.045 28.605 28.738 -0.147 0.000 1.176 451 Q HN 0.360 nan 8.270 nan 0.000 0.478 452 S N 0.731 116.336 115.700 -0.158 0.000 2.423 452 S HA -0.076 4.418 4.470 0.039 0.000 0.231 452 S C 1.732 176.218 174.600 -0.191 0.000 1.014 452 S CA 0.918 59.027 58.200 -0.152 0.000 0.965 452 S CB -0.081 63.048 63.200 -0.119 0.000 0.785 452 S HN 0.278 nan 8.310 nan 0.000 0.495 453 R N 1.133 121.455 120.500 -0.296 0.000 2.546 453 R HA 0.309 4.672 4.340 0.039 0.000 0.320 453 R C 1.811 177.862 176.300 -0.417 0.000 1.021 453 R CA 0.595 56.437 56.100 -0.431 0.000 1.088 453 R CB -0.066 29.756 30.300 -0.798 0.000 1.278 453 R HN 0.578 nan 8.270 nan 0.000 0.557 454 S N -2.117 113.424 115.700 -0.265 0.000 2.406 454 S HA 0.028 4.521 4.470 0.039 0.000 0.228 454 S C 0.842 175.380 174.600 -0.104 0.000 1.020 454 S CA 0.423 58.518 58.200 -0.175 0.000 0.965 454 S CB 0.130 63.250 63.200 -0.133 0.000 0.798 454 S HN 0.088 nan 8.310 nan 0.000 0.488 455 S N -1.095 114.550 115.700 -0.091 0.000 2.536 455 S HA 0.582 5.076 4.470 0.039 0.000 0.271 455 S C 0.204 174.784 174.600 -0.033 0.000 1.134 455 S CA -0.840 57.340 58.200 -0.032 0.000 0.897 455 S CB 1.226 64.422 63.200 -0.006 0.000 1.094 455 S HN 0.292 nan 8.310 nan 0.000 0.473 456 L N 2.494 123.714 121.223 -0.004 0.000 2.217 456 L HA 0.168 4.531 4.340 0.039 0.000 0.211 456 L C 1.419 178.287 176.870 -0.003 0.000 1.107 456 L CA 0.765 55.602 54.840 -0.005 0.000 0.783 456 L CB -0.157 41.910 42.059 0.013 0.000 0.919 456 L HN 0.615 nan 8.230 nan 0.000 0.442 457 K N 0.816 121.223 120.400 0.012 0.000 2.453 457 K HA -0.153 4.190 4.320 0.039 0.000 0.280 457 K C 1.030 177.620 176.600 -0.016 0.000 1.045 457 K CA 0.063 56.353 56.287 0.004 0.000 1.059 457 K CB 0.997 33.507 32.500 0.015 0.000 0.901 457 K HN -0.045 nan 8.250 nan 0.000 0.475 458 E N 2.989 123.176 120.200 -0.021 0.000 2.047 458 E HA -0.166 4.207 4.350 0.039 0.000 0.191 458 E C 0.080 176.659 176.600 -0.035 0.000 0.987 458 E CA 1.747 58.130 56.400 -0.029 0.000 0.799 458 E CB 0.170 29.855 29.700 -0.026 0.000 0.752 458 E HN 0.694 nan 8.360 nan 0.000 0.449 459 D N 0.571 120.948 120.400 -0.037 0.000 3.134 459 D HA 0.062 4.725 4.640 0.039 0.000 0.248 459 D C -0.502 175.765 176.300 -0.055 0.000 1.273 459 D CA -0.246 53.727 54.000 -0.044 0.000 0.904 459 D CB -0.384 40.389 40.800 -0.044 0.000 1.089 459 D HN -0.058 nan 8.370 nan 0.000 0.478 460 N N 0.591 119.264 118.700 -0.045 0.000 2.443 460 N HA 0.137 4.900 4.740 0.039 0.000 0.293 460 N C -0.743 174.750 175.510 -0.028 0.000 1.159 460 N CA -0.565 52.465 53.050 -0.033 0.000 0.904 460 N CB 1.466 39.957 38.487 0.007 0.000 1.214 460 N HN 0.072 nan 8.380 nan 0.000 0.513 461 D N 1.064 121.458 120.400 -0.010 0.000 2.342 461 D HA 0.039 4.702 4.640 0.039 0.000 0.260 461 D C -0.038 176.228 176.300 -0.057 0.000 1.278 461 D CA 0.296 54.281 54.000 -0.025 0.000 0.910 461 D CB 0.414 41.215 40.800 0.001 0.000 1.079 461 D HN 0.160 nan 8.370 nan 0.000 0.496 462 K N 2.329 122.675 120.400 -0.090 0.000 2.446 462 K HA 0.086 4.430 4.320 0.039 0.000 0.203 462 K C 0.185 176.665 176.600 -0.200 0.000 1.027 462 K CA -0.168 56.041 56.287 -0.130 0.000 1.166 462 K CB -0.048 32.386 32.500 -0.110 0.000 0.869 462 K HN 0.321 nan 8.250 nan 0.000 0.504 463 T N 2.590 116.999 114.554 -0.241 0.000 2.908 463 T HA 0.013 4.387 4.350 0.039 0.000 0.301 463 T C 0.367 174.679 174.700 -0.646 0.000 1.019 463 T CA 0.744 62.632 62.100 -0.354 0.000 1.152 463 T CB 0.459 69.160 68.868 -0.279 0.000 0.966 463 T HN 0.064 nan 8.240 nan 0.000 0.540 464 T N 4.257 118.528 114.554 -0.472 0.000 2.806 464 T HA 0.396 4.770 4.350 0.039 0.000 0.290 464 T C -0.551 173.890 174.700 -0.430 0.000 0.966 464 T CA -0.328 61.508 62.100 -0.440 0.000 1.060 464 T CB 0.119 68.858 68.868 -0.214 0.000 0.927 464 T HN 0.350 nan 8.240 nan 0.000 0.485 465 Y N 0.883 121.118 120.300 -0.108 0.000 2.420 465 Y HA 0.685 5.258 4.550 0.039 0.000 0.334 465 Y C 0.770 176.563 175.900 -0.178 0.000 1.094 465 Y CA -1.178 56.849 58.100 -0.122 0.000 1.126 465 Y CB 1.708 40.105 38.460 -0.105 0.000 1.217 465 Y HN 0.814 nan 8.280 nan 0.000 0.462 466 G N -0.048 108.732 108.800 -0.032 0.000 2.659 466 G HA2 0.785 4.768 3.960 0.039 0.000 0.296 466 G HA3 0.785 4.768 3.960 0.039 0.000 0.296 466 G C -1.894 172.790 174.900 -0.360 0.000 1.369 466 G CA -0.766 44.204 45.100 -0.216 0.000 0.937 466 G HN 0.854 nan 8.290 nan 0.000 0.485 467 A N 0.512 123.043 122.820 -0.482 0.000 2.589 467 A HA 0.785 5.128 4.320 0.039 0.000 0.296 467 A C -1.323 175.964 177.584 -0.496 0.000 1.062 467 A CA -0.772 50.843 52.037 -0.704 0.000 0.686 467 A CB 0.902 19.446 19.000 -0.760 0.000 1.282 467 A HN 0.644 nan 8.150 nan 0.000 0.404 468 F N 0.899 120.705 119.950 -0.241 0.000 2.375 468 F HA 0.524 5.074 4.527 0.038 0.000 0.333 468 F C 0.416 176.198 175.800 -0.030 0.000 1.104 468 F CA -0.519 57.439 58.000 -0.069 0.000 1.149 468 F CB 1.721 40.701 39.000 -0.032 0.000 1.190 468 F HN 0.312 nan 8.300 nan 0.000 0.533 469 V N 1.027 121.104 119.914 0.272 0.000 2.513 469 V HA 0.167 4.310 4.120 0.039 0.000 0.299 469 V C -0.611 175.590 176.094 0.179 0.000 1.035 469 V CA -0.822 61.603 62.300 0.209 0.000 0.889 469 V CB 1.730 33.696 31.823 0.238 0.000 0.988 469 V HN 0.618 nan 8.190 nan 0.000 0.440 470 D N 4.475 124.968 120.400 0.156 0.000 2.741 470 D HA 0.404 5.067 4.640 0.039 0.000 0.233 470 D C -0.188 176.183 176.300 0.118 0.000 1.160 470 D CA -0.043 54.035 54.000 0.129 0.000 1.003 470 D CB -0.219 40.657 40.800 0.127 0.000 1.064 470 D HN 0.605 nan 8.370 nan 0.000 0.503 471 I N -1.895 118.741 120.570 0.109 0.000 3.042 471 I HA 0.580 4.773 4.170 0.039 0.000 0.310 471 I C -0.538 175.629 176.117 0.083 0.000 1.117 471 I CA -1.366 59.987 61.300 0.088 0.000 1.003 471 I CB 1.884 39.925 38.000 0.068 0.000 1.228 471 I HN -0.227 nan 8.210 nan 0.000 0.443 472 N N 3.783 122.529 118.700 0.077 0.000 2.437 472 N HA 0.419 5.182 4.740 0.039 0.000 0.259 472 N C -1.923 173.614 175.510 0.045 0.000 0.983 472 N CA -2.572 50.535 53.050 0.095 0.000 0.937 472 N CB 1.374 39.931 38.487 0.117 0.000 1.122 472 N HN 0.438 nan 8.380 nan 0.000 0.499 473 P HA -0.020 nan 4.420 nan 0.000 0.242 473 P C 0.339 177.522 177.300 -0.195 0.000 1.197 473 P CA 0.713 63.735 63.100 -0.129 0.000 0.765 473 P CB 0.285 31.860 31.700 -0.208 0.000 0.936 474 H N -0.753 118.238 119.070 -0.131 0.000 2.326 474 H HA -0.017 4.562 4.556 0.039 0.000 0.301 474 H C 1.107 176.397 175.328 -0.064 0.000 1.081 474 H CA 1.199 57.185 56.048 -0.102 0.000 1.334 474 H CB -0.252 29.469 29.762 -0.068 0.000 1.385 474 H HN 0.140 nan 8.280 nan 0.000 0.504 475 Q N 1.273 121.123 119.800 0.084 0.000 2.382 475 Q HA 0.152 4.515 4.340 0.039 0.000 0.229 475 Q C -2.270 173.735 176.000 0.009 0.000 1.006 475 Q CA -1.943 53.883 55.803 0.038 0.000 0.916 475 Q CB 0.306 29.067 28.738 0.038 0.000 1.235 475 Q HN 0.192 nan 8.270 nan 0.000 0.512 476 P HA -0.012 nan 4.420 nan 0.000 0.268 476 P C -1.093 176.225 177.300 0.029 0.000 1.205 476 P CA -0.074 63.036 63.100 0.017 0.000 0.771 476 P CB 0.512 32.221 31.700 0.015 0.000 0.858 477 L N 2.212 123.465 121.223 0.051 0.000 2.290 477 L HA 0.257 4.620 4.340 0.039 0.000 0.284 477 L C 1.139 178.090 176.870 0.135 0.000 1.078 477 L CA 0.373 55.208 54.840 -0.007 0.000 0.815 477 L CB 0.618 42.557 42.059 -0.200 0.000 1.162 477 L HN 0.341 nan 8.230 nan 0.000 0.435 478 S N 4.005 119.795 115.700 0.149 0.000 2.438 478 S HA 0.711 5.205 4.470 0.039 0.000 0.293 478 S C -0.825 174.053 174.600 0.462 0.000 1.141 478 S CA -0.526 57.833 58.200 0.265 0.000 1.080 478 S CB 0.409 63.737 63.200 0.213 0.000 0.978 478 S HN 0.455 nan 8.310 nan 0.000 0.479 479 L N 5.424 126.939 121.223 0.487 0.000 2.410 479 L HA 0.680 5.043 4.340 0.039 0.000 0.270 479 L C -0.589 176.504 176.870 0.372 0.000 0.983 479 L CA -0.308 54.835 54.840 0.504 0.000 0.822 479 L CB 1.884 44.301 42.059 0.596 0.000 1.285 479 L HN 0.806 nan 8.230 nan 0.000 0.409 480 R N 3.743 124.462 120.500 0.365 0.000 2.750 480 R HA 0.950 5.313 4.340 0.039 0.000 0.281 480 R C -1.780 174.693 176.300 0.288 0.000 0.972 480 R CA -0.526 55.755 56.100 0.302 0.000 0.912 480 R CB 2.026 32.472 30.300 0.243 0.000 1.187 480 R HN 0.806 nan 8.270 nan 0.000 0.464 481 A N 4.832 127.791 122.820 0.231 0.000 2.408 481 A HA 0.455 4.798 4.320 0.039 0.000 0.295 481 A C -1.426 176.281 177.584 0.205 0.000 1.040 481 A CA -0.673 51.490 52.037 0.211 0.000 0.707 481 A CB 1.201 20.297 19.000 0.160 0.000 1.235 481 A HN 0.634 nan 8.150 nan 0.000 0.418 482 L N 3.341 124.710 121.223 0.243 0.000 2.257 482 L HA 0.468 4.831 4.340 0.039 0.000 0.290 482 L C -0.703 176.336 176.870 0.282 0.000 1.044 482 L CA -0.116 54.901 54.840 0.295 0.000 0.810 482 L CB 0.973 43.255 42.059 0.372 0.000 1.193 482 L HN 0.598 nan 8.230 nan 0.000 0.425 483 I N 3.400 124.132 120.570 0.270 0.000 2.339 483 I HA 0.265 4.459 4.170 0.039 0.000 0.290 483 I C -0.359 175.834 176.117 0.128 0.000 0.994 483 I CA -0.006 61.381 61.300 0.144 0.000 1.191 483 I CB 1.464 39.520 38.000 0.093 0.000 1.343 483 I HN 0.459 nan 8.210 nan 0.000 0.458 484 D N 5.814 126.184 120.400 -0.049 0.000 2.621 484 D HA 0.213 4.876 4.640 0.039 0.000 0.274 484 D C 0.597 176.861 176.300 -0.060 0.000 1.215 484 D CA -0.039 53.864 54.000 -0.162 0.000 0.810 484 D CB 0.083 40.613 40.800 -0.450 0.000 1.248 484 D HN 0.630 nan 8.370 nan 0.000 0.517 485 H N 0.110 119.186 119.070 0.010 0.000 5.009 485 H HA -0.282 4.297 4.556 0.039 0.000 0.059 485 H C 1.158 176.524 175.328 0.065 0.000 0.567 485 H CA 2.215 58.302 56.048 0.064 0.000 0.993 485 H CB -1.497 28.318 29.762 0.089 0.000 0.557 485 H HN 0.460 nan 8.280 nan 0.000 0.791 486 S N 0.869 116.640 115.700 0.118 0.000 2.666 486 S HA 0.493 4.986 4.470 0.039 0.000 0.239 486 S C 0.349 174.789 174.600 -0.266 0.000 1.031 486 S CA 0.413 58.541 58.200 -0.119 0.000 1.015 486 S CB 1.611 64.787 63.200 -0.041 0.000 0.981 486 S HN 0.312 nan 8.310 nan 0.000 0.547 487 V N 1.237 121.030 119.914 -0.202 0.000 2.709 487 V HA 0.830 4.973 4.120 0.039 0.000 0.308 487 V C -1.342 174.639 176.094 -0.188 0.000 1.062 487 V CA -0.628 61.523 62.300 -0.249 0.000 0.901 487 V CB 1.923 33.520 31.823 -0.377 0.000 1.003 487 V HN 0.318 nan 8.190 nan 0.000 0.425 488 V N 6.133 125.972 119.914 -0.125 0.000 2.577 488 V HA 0.665 4.808 4.120 0.039 0.000 0.303 488 V C -0.661 175.406 176.094 -0.044 0.000 1.042 488 V CA -0.205 62.067 62.300 -0.046 0.000 0.872 488 V CB 2.037 33.850 31.823 -0.016 0.000 0.998 488 V HN 1.006 nan 8.190 nan 0.000 0.423 489 E N 4.661 124.870 120.200 0.016 0.000 2.102 489 E HA 0.446 4.820 4.350 0.039 0.000 0.263 489 E C -0.727 175.792 176.600 -0.136 0.000 0.894 489 E CA -0.341 56.018 56.400 -0.068 0.000 0.746 489 E CB 1.642 31.415 29.700 0.122 0.000 1.129 489 E HN 0.709 nan 8.360 nan 0.000 0.416 490 S N 2.674 118.190 115.700 -0.307 0.000 2.499 490 S HA 0.454 4.948 4.470 0.039 0.000 0.279 490 S C -0.619 173.708 174.600 -0.455 0.000 1.219 490 S CA -0.507 57.567 58.200 -0.209 0.000 1.062 490 S CB 0.356 63.473 63.200 -0.138 0.000 0.978 490 S HN 0.297 nan 8.310 nan 0.000 0.489 491 F N 1.444 121.414 119.950 0.033 0.000 2.496 491 F HA 0.525 5.075 4.527 0.039 0.000 0.341 491 F C 0.789 176.721 175.800 0.221 0.000 1.134 491 F CA -0.616 57.442 58.000 0.097 0.000 0.968 491 F CB 1.531 40.549 39.000 0.030 0.000 1.205 491 F HN 0.674 nan 8.300 nan 0.000 0.436 492 G N 0.586 109.597 108.800 0.352 0.000 2.412 492 G HA2 0.455 4.438 3.960 0.039 0.000 0.318 492 G HA3 0.455 4.438 3.960 0.039 0.000 0.318 492 G C 0.575 175.715 174.900 0.401 0.000 1.146 492 G CA -0.432 44.928 45.100 0.433 0.000 0.882 492 G HN 1.134 nan 8.290 nan 0.000 0.501 493 G N 0.846 109.866 108.800 0.366 0.000 2.395 493 G HA2 -0.272 3.711 3.960 0.039 0.000 0.300 493 G HA3 -0.272 3.711 3.960 0.039 0.000 0.300 493 G C 0.640 175.675 174.900 0.226 0.000 0.998 493 G CA 0.645 45.890 45.100 0.241 0.000 1.046 493 G HN 1.079 nan 8.290 nan 0.000 0.513 494 K N -2.138 118.424 120.400 0.271 0.000 3.148 494 K HA -0.229 4.115 4.320 0.039 0.000 0.267 494 K C 1.546 178.305 176.600 0.264 0.000 0.996 494 K CA 1.671 58.039 56.287 0.135 0.000 0.737 494 K CB -1.687 30.752 32.500 -0.102 0.000 1.308 494 K HN 2.386 nan 8.250 nan 0.000 0.470 495 G N -0.260 108.881 108.800 0.569 0.000 2.136 495 G HA2 -0.356 3.627 3.960 0.039 0.000 0.242 495 G HA3 -0.356 3.627 3.960 0.039 0.000 0.242 495 G C 0.820 175.879 174.900 0.265 0.000 0.989 495 G CA 0.564 45.988 45.100 0.540 0.000 0.682 495 G HN 0.479 nan 8.290 nan 0.000 0.522 496 R N -0.031 120.610 120.500 0.235 0.000 2.200 496 R HA 0.465 4.829 4.340 0.039 0.000 0.208 496 R C 1.206 177.628 176.300 0.204 0.000 1.033 496 R CA 1.219 57.427 56.100 0.180 0.000 1.000 496 R CB 0.237 30.639 30.300 0.170 0.000 0.906 496 R HN 0.755 nan 8.270 nan 0.000 0.462 497 A N 0.099 123.048 122.820 0.216 0.000 2.398 497 A HA 0.521 4.864 4.320 0.039 0.000 0.301 497 A C -1.121 176.522 177.584 0.099 0.000 1.041 497 A CA -0.701 51.439 52.037 0.171 0.000 0.711 497 A CB 1.261 20.326 19.000 0.109 0.000 1.240 497 A HN 0.177 nan 8.150 nan 0.000 0.420 498 C N 2.242 121.563 119.300 0.035 0.000 2.441 498 C HA 0.765 5.248 4.460 0.039 0.000 0.318 498 C C -0.288 174.557 174.990 -0.241 0.000 1.222 498 C CA -0.475 58.390 59.018 -0.254 0.000 1.474 498 C CB 0.106 27.646 27.740 -0.333 0.000 2.125 498 C HN 0.703 nan 8.230 nan 0.000 0.479 499 I N 2.521 122.879 120.570 -0.354 0.000 2.478 499 I HA 0.352 4.545 4.170 0.039 0.000 0.287 499 I C -0.257 175.684 176.117 -0.293 0.000 1.042 499 I CA 0.119 61.261 61.300 -0.264 0.000 1.067 499 I CB 2.040 39.951 38.000 -0.148 0.000 1.233 499 I HN 0.586 nan 8.210 nan 0.000 0.431 500 T N 4.024 118.408 114.554 -0.283 0.000 2.794 500 T HA 0.598 4.972 4.350 0.039 0.000 0.280 500 T C -0.169 174.444 174.700 -0.146 0.000 0.987 500 T CA -0.696 61.288 62.100 -0.192 0.000 0.993 500 T CB 1.390 70.187 68.868 -0.119 0.000 0.939 500 T HN 0.683 nan 8.240 nan 0.000 0.449 501 S N 2.855 118.533 115.700 -0.038 0.000 2.595 501 S HA 0.773 5.266 4.470 0.039 0.000 0.281 501 S C -1.184 173.391 174.600 -0.042 0.000 1.117 501 S CA -1.337 56.919 58.200 0.093 0.000 0.873 501 S CB 1.840 65.151 63.200 0.185 0.000 1.108 501 S HN 0.462 nan 8.310 nan 0.000 0.477 502 R N 1.049 121.513 120.500 -0.061 0.000 2.393 502 R HA 0.705 5.068 4.340 0.039 0.000 0.315 502 R C -1.502 174.540 176.300 -0.430 0.000 0.952 502 R CA -0.666 55.281 56.100 -0.256 0.000 0.842 502 R CB 1.507 31.706 30.300 -0.168 0.000 1.163 502 R HN 0.583 nan 8.270 nan 0.000 0.450 503 V N 4.190 123.712 119.914 -0.653 0.000 2.588 503 V HA 0.400 4.544 4.120 0.039 0.000 0.304 503 V C -1.198 174.396 176.094 -0.834 0.000 1.042 503 V CA -0.785 61.190 62.300 -0.542 0.000 0.877 503 V CB 1.914 33.590 31.823 -0.245 0.000 0.996 503 V HN 0.633 nan 8.190 nan 0.000 0.425 504 Y N 5.479 125.602 120.300 -0.295 0.000 2.658 504 Y HA 0.394 4.967 4.550 0.039 0.000 0.362 504 Y C -2.356 173.391 175.900 -0.255 0.000 1.017 504 Y CA -2.801 54.903 58.100 -0.660 0.000 1.134 504 Y CB 0.910 38.806 38.460 -0.940 0.000 1.144 504 Y HN 0.437 nan 8.280 nan 0.000 0.655 505 P HA 0.130 nan 4.420 nan 0.000 0.275 505 P C 0.399 177.884 177.300 0.308 0.000 1.227 505 P CA -0.331 62.877 63.100 0.180 0.000 0.781 505 P CB 2.166 33.955 31.700 0.149 0.000 0.906 506 K N 1.918 122.437 120.400 0.199 0.000 2.262 506 K HA 0.172 4.515 4.320 0.039 0.000 0.200 506 K C 1.681 178.358 176.600 0.128 0.000 1.049 506 K CA 0.945 57.339 56.287 0.180 0.000 0.979 506 K CB -0.282 32.291 32.500 0.121 0.000 0.773 506 K HN 0.353 nan 8.250 nan 0.000 0.474 507 L N -0.779 120.515 121.223 0.118 0.000 2.349 507 L HA 0.319 4.682 4.340 0.039 0.000 0.200 507 L C 0.443 177.382 176.870 0.114 0.000 1.064 507 L CA 0.153 55.055 54.840 0.103 0.000 0.821 507 L CB 0.005 42.121 42.059 0.096 0.000 1.027 507 L HN -0.022 nan 8.230 nan 0.000 0.476 508 A N 2.070 124.969 122.820 0.131 0.000 2.981 508 A HA 0.407 4.750 4.320 0.039 0.000 0.280 508 A C -0.134 177.530 177.584 0.133 0.000 1.743 508 A CA -0.024 52.091 52.037 0.130 0.000 1.430 508 A CB -1.457 17.625 19.000 0.138 0.000 1.085 508 A HN 0.370 nan 8.150 nan 0.000 0.597 509 I N -1.643 118.992 120.570 0.110 0.000 2.569 509 I HA 0.759 4.952 4.170 0.039 0.000 0.290 509 I C 0.786 176.959 176.117 0.093 0.000 1.088 509 I CA -0.400 60.973 61.300 0.122 0.000 1.047 509 I CB 1.543 39.596 38.000 0.089 0.000 1.237 509 I HN 0.707 nan 8.210 nan 0.000 0.421 510 G N 5.154 114.037 108.800 0.139 0.000 2.646 510 G HA2 -0.445 3.538 3.960 0.039 0.000 0.324 510 G HA3 -0.445 3.538 3.960 0.039 0.000 0.324 510 G C 0.822 175.746 174.900 0.040 0.000 1.195 510 G CA 1.097 46.270 45.100 0.121 0.000 0.976 510 G HN 0.873 nan 8.290 nan 0.000 0.546 511 K N 0.742 121.156 120.400 0.024 0.000 2.211 511 K HA 0.167 4.511 4.320 0.039 0.000 0.203 511 K C 2.666 179.233 176.600 -0.056 0.000 1.050 511 K CA 1.999 58.280 56.287 -0.010 0.000 0.945 511 K CB -0.307 32.198 32.500 0.008 0.000 0.732 511 K HN 0.327 nan 8.250 nan 0.000 0.451 512 S N 0.034 115.717 115.700 -0.029 0.000 2.548 512 S HA 0.039 4.532 4.470 0.039 0.000 0.215 512 S C 0.185 174.741 174.600 -0.074 0.000 0.976 512 S CA 0.116 58.300 58.200 -0.025 0.000 0.908 512 S CB 0.068 63.295 63.200 0.046 0.000 0.781 512 S HN 0.419 nan 8.310 nan 0.000 0.519 513 S N 1.878 117.519 115.700 -0.100 0.000 2.580 513 S HA 0.387 4.881 4.470 0.039 0.000 0.274 513 S C -0.385 174.050 174.600 -0.275 0.000 1.329 513 S CA -0.452 57.705 58.200 -0.071 0.000 1.036 513 S CB 0.704 63.896 63.200 -0.014 0.000 0.919 513 S HN 0.352 nan 8.310 nan 0.000 0.515 514 H N 0.107 119.206 119.070 0.049 0.000 2.864 514 H HA 0.707 5.286 4.556 0.039 0.000 0.354 514 H C -1.234 174.055 175.328 -0.065 0.000 1.208 514 H CA -0.788 55.230 56.048 -0.050 0.000 1.191 514 H CB 1.707 31.445 29.762 -0.040 0.000 1.889 514 H HN 0.553 nan 8.280 nan 0.000 0.574 515 L N 1.263 122.403 121.223 -0.138 0.000 2.470 515 L HA 0.433 4.796 4.340 0.039 0.000 0.268 515 L C -1.917 174.730 176.870 -0.371 0.000 0.964 515 L CA -0.296 54.474 54.840 -0.116 0.000 0.839 515 L CB 1.073 43.082 42.059 -0.083 0.000 1.276 515 L HN 0.355 nan 8.230 nan 0.000 0.403 516 F N 3.164 123.133 119.950 0.032 0.000 2.563 516 F HA 0.851 5.402 4.527 0.039 0.000 0.316 516 F C 0.249 176.125 175.800 0.126 0.000 1.076 516 F CA -0.505 57.512 58.000 0.029 0.000 0.921 516 F CB 2.269 41.258 39.000 -0.018 0.000 1.209 516 F HN 0.602 nan 8.300 nan 0.000 0.462 517 A N 3.053 126.070 122.820 0.327 0.000 2.317 517 A HA 0.861 5.205 4.320 0.039 0.000 0.327 517 A C -1.281 176.518 177.584 0.360 0.000 1.178 517 A CA -0.436 51.808 52.037 0.345 0.000 0.817 517 A CB 0.509 19.650 19.000 0.235 0.000 1.189 517 A HN 0.755 nan 8.150 nan 0.000 0.489 518 F N 0.634 120.624 119.950 0.067 0.000 2.664 518 F HA 0.855 5.406 4.527 0.039 0.000 0.317 518 F C -1.067 174.616 175.800 -0.195 0.000 1.108 518 F CA -1.112 56.794 58.000 -0.157 0.000 0.957 518 F CB 1.831 40.580 39.000 -0.418 0.000 1.365 518 F HN 0.476 nan 8.300 nan 0.000 0.475 519 N N 0.755 119.214 118.700 -0.401 0.000 2.537 519 N HA 0.307 5.070 4.740 0.039 0.000 0.281 519 N C -1.779 173.613 175.510 -0.196 0.000 1.097 519 N CA -0.649 52.173 53.050 -0.379 0.000 0.964 519 N CB 1.043 39.425 38.487 -0.174 0.000 1.588 519 N HN 0.811 nan 8.380 nan 0.000 0.511 520 Y N 0.500 120.795 120.300 -0.009 0.000 2.500 520 Y HA 0.390 4.963 4.550 0.039 0.000 0.246 520 Y C 1.593 177.426 175.900 -0.112 0.000 1.146 520 Y CA -0.807 57.275 58.100 -0.031 0.000 1.230 520 Y CB 1.208 39.660 38.460 -0.013 0.000 1.214 520 Y HN 0.555 nan 8.280 nan 0.000 0.526 521 G N -0.619 108.201 108.800 0.034 0.000 2.594 521 G HA2 -0.018 3.966 3.960 0.039 0.000 0.243 521 G HA3 -0.018 3.966 3.960 0.039 0.000 0.243 521 G C -0.018 174.868 174.900 -0.023 0.000 1.229 521 G CA -0.146 44.939 45.100 -0.025 0.000 0.843 521 G HN 0.251 nan 8.290 nan 0.000 0.578 522 Y N -0.379 119.947 120.300 0.045 0.000 2.151 522 Y HA -0.103 4.470 4.550 0.039 0.000 0.284 522 Y C 2.172 178.080 175.900 0.013 0.000 1.166 522 Y CA 1.346 59.464 58.100 0.030 0.000 1.163 522 Y CB -0.006 38.470 38.460 0.026 0.000 0.974 522 Y HN 0.250 nan 8.280 nan 0.000 0.511 523 Q N 0.633 120.529 119.800 0.160 0.000 2.230 523 Q HA 0.252 4.616 4.340 0.039 0.000 0.253 523 Q C 0.105 176.104 176.000 -0.001 0.000 0.919 523 Q CA -0.357 55.483 55.803 0.063 0.000 0.908 523 Q CB 1.721 30.479 28.738 0.034 0.000 1.245 523 Q HN 0.267 nan 8.270 nan 0.000 0.437 524 S N 0.241 115.930 115.700 -0.019 0.000 2.576 524 S HA 0.480 4.974 4.470 0.039 0.000 0.276 524 S C 0.335 174.865 174.600 -0.117 0.000 1.339 524 S CA -0.750 57.418 58.200 -0.052 0.000 1.039 524 S CB 0.774 63.958 63.200 -0.027 0.000 0.902 524 S HN 0.427 nan 8.310 nan 0.000 0.516 525 V N -1.141 118.675 119.914 -0.164 0.000 2.914 525 V HA 0.676 4.819 4.120 0.039 0.000 0.314 525 V C -1.242 174.781 176.094 -0.118 0.000 1.084 525 V CA -1.174 60.980 62.300 -0.243 0.000 0.963 525 V CB 1.588 33.059 31.823 -0.588 0.000 1.025 525 V HN 0.782 nan 8.190 nan 0.000 0.432 526 D N 1.839 122.185 120.400 -0.091 0.000 2.198 526 D HA 0.527 5.191 4.640 0.039 0.000 0.245 526 D C -0.290 176.013 176.300 0.006 0.000 1.079 526 D CA -0.135 53.843 54.000 -0.035 0.000 0.854 526 D CB 1.910 42.683 40.800 -0.045 0.000 1.148 526 D HN 0.548 nan 8.370 nan 0.000 0.456 527 V N 4.215 124.124 119.914 -0.008 0.000 2.322 527 V HA 0.056 4.200 4.120 0.039 0.000 0.258 527 V C 1.454 177.488 176.094 -0.101 0.000 1.074 527 V CA -0.196 62.046 62.300 -0.098 0.000 0.909 527 V CB 0.614 32.380 31.823 -0.095 0.000 1.090 527 V HN 0.608 nan 8.190 nan 0.000 0.486 528 L N 3.598 124.757 121.223 -0.107 0.000 2.017 528 L HA 0.006 4.369 4.340 0.039 0.000 0.208 528 L C 0.953 177.775 176.870 -0.079 0.000 1.073 528 L CA 1.657 56.453 54.840 -0.074 0.000 0.745 528 L CB 0.264 42.288 42.059 -0.057 0.000 0.894 528 L HN 0.765 nan 8.230 nan 0.000 0.432 529 N N -0.961 117.673 118.700 -0.110 0.000 2.405 529 N HA 0.387 5.150 4.740 0.039 0.000 0.274 529 N C -2.135 173.299 175.510 -0.128 0.000 1.170 529 N CA -0.516 52.477 53.050 -0.094 0.000 0.848 529 N CB 1.610 40.064 38.487 -0.055 0.000 1.629 529 N HN -0.053 nan 8.380 nan 0.000 0.481 530 L N 2.491 123.643 121.223 -0.118 0.000 2.516 530 L HA 0.605 4.969 4.340 0.039 0.000 0.267 530 L C -1.668 175.099 176.870 -0.171 0.000 0.957 530 L CA -0.374 54.388 54.840 -0.130 0.000 0.860 530 L CB 1.326 43.310 42.059 -0.124 0.000 1.265 530 L HN 0.717 nan 8.230 nan 0.000 0.403 531 N N 3.523 122.094 118.700 -0.215 0.000 2.410 531 N HA 0.752 5.516 4.740 0.039 0.000 0.287 531 N C -0.788 174.397 175.510 -0.542 0.000 1.044 531 N CA -0.260 52.491 53.050 -0.500 0.000 0.881 531 N CB 2.221 40.273 38.487 -0.725 0.000 1.405 531 N HN 0.691 nan 8.380 nan 0.000 0.490 532 A N 2.148 124.651 122.820 -0.529 0.000 2.303 532 A HA 0.626 4.969 4.320 0.039 0.000 0.320 532 A C -1.167 176.183 177.584 -0.389 0.000 1.192 532 A CA -0.641 51.221 52.037 -0.292 0.000 0.821 532 A CB 0.799 19.712 19.000 -0.146 0.000 1.188 532 A HN 0.570 nan 8.150 nan 0.000 0.492 533 W N 2.223 123.512 121.300 -0.018 0.000 2.532 533 W HA 0.354 5.037 4.660 0.040 0.000 0.321 533 W C -0.182 176.315 176.519 -0.038 0.000 1.037 533 W CA -0.621 56.705 57.345 -0.032 0.000 1.220 533 W CB 2.096 31.525 29.460 -0.051 0.000 1.361 533 W HN 0.644 nan 8.180 nan 0.000 0.468 534 S N 2.815 118.607 115.700 0.153 0.000 2.562 534 S HA 0.160 4.653 4.470 0.039 0.000 0.281 534 S C -0.059 174.585 174.600 0.072 0.000 1.333 534 S CA -0.106 58.148 58.200 0.091 0.000 1.052 534 S CB 0.556 63.792 63.200 0.060 0.000 0.884 534 S HN 0.343 nan 8.310 nan 0.000 0.506 535 M N 4.054 123.671 119.600 0.029 0.000 2.227 535 M HA 0.359 4.862 4.480 0.039 0.000 0.335 535 M C -0.458 175.833 176.300 -0.015 0.000 1.053 535 M CA -0.501 54.752 55.300 -0.078 0.000 0.973 535 M CB 1.014 33.472 32.600 -0.237 0.000 1.623 535 M HN 0.436 nan 8.290 nan 0.000 0.434 536 N N 1.349 120.019 118.700 -0.049 0.000 2.482 536 N HA 0.237 5.000 4.740 0.039 0.000 0.260 536 N C -0.533 175.016 175.510 0.065 0.000 1.236 536 N CA -0.009 53.046 53.050 0.009 0.000 0.938 536 N CB 0.705 39.183 38.487 -0.016 0.000 1.128 536 N HN 0.630 nan 8.380 nan 0.000 0.448 537 S N 0.019 115.784 115.700 0.110 0.000 2.600 537 S HA 0.515 5.008 4.470 0.039 0.000 0.265 537 S C 0.119 174.788 174.600 0.115 0.000 1.325 537 S CA -0.665 57.629 58.200 0.157 0.000 1.002 537 S CB 0.782 64.050 63.200 0.114 0.000 0.921 537 S HN 0.662 nan 8.310 nan 0.000 0.554 538 A N 1.034 123.941 122.820 0.144 0.000 2.356 538 A HA 0.526 4.869 4.320 0.039 0.000 0.323 538 A C -0.404 177.228 177.584 0.080 0.000 1.119 538 A CA -0.672 51.432 52.037 0.112 0.000 0.790 538 A CB 0.793 19.898 19.000 0.175 0.000 1.273 538 A HN 0.742 nan 8.150 nan 0.000 0.452 539 Q N 1.887 121.719 119.800 0.054 0.000 2.534 539 Q HA 0.359 4.722 4.340 0.039 0.000 0.223 539 Q C -0.491 175.554 176.000 0.074 0.000 1.239 539 Q CA -0.214 55.609 55.803 0.032 0.000 0.936 539 Q CB -0.104 28.635 28.738 0.001 0.000 1.457 539 Q HN 0.691 nan 8.270 nan 0.000 0.547 540 I N -0.751 119.858 120.570 0.066 0.000 2.603 540 I HA 0.714 4.907 4.170 0.039 0.000 0.300 540 I C -0.920 175.153 176.117 -0.075 0.000 1.017 540 I CA -0.507 60.847 61.300 0.090 0.000 1.098 540 I CB 1.970 40.025 38.000 0.091 0.000 1.279 540 I HN 0.329 nan 8.210 nan 0.000 0.437 541 S N 0.000 115.637 115.700 -0.106 0.000 2.498 541 S HA 0.000 4.493 4.470 0.039 0.000 0.327 541 S CA 0.000 58.078 58.200 -0.204 0.000 1.107 541 S CB 0.000 63.116 63.200 -0.140 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517