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 3c95_1_A DATA FIRST_RESID 7 DATA SEQUENCE QQSTFLFHDY ETFGTHPALD RPAQFAAIRT DSEFNVIGEP EVFYCKPADD DATA SEQUENCE YLPQPGAVLI TGITPQEARA KGENEAAFAA RIHSLFTVPK TCILGYNNVR DATA SEQUENCE FDDEVTRNIF YRNFYDPYAW SWQHDNSRWD LLDVMRACYA LRPEGINWPE DATA SEQUENCE NDDGLPSFRL EHLTKANGIE HXXXXDAMAD VYATIAMAKL VKTRQPRLFD DATA SEQUENCE YLFTHRNKHK LMALIDVPQM KPLVHVSGMF GAWRGNTSWV APLAWHPENR DATA SEQUENCE NAVIMVDLAG DISPLLELDS DTLRXXXXXX XXXXXXXXAV PVKLVHINKC DATA SEQUENCE PVLAQANTLR PEDADRLGIN RQHCLDNLKI LRENPQVREK VVAIFAEXXX DATA SEQUENCE XXXSDNVDAQ LYNGFFSDAD RAAMKIVLET EPRNLPALDI TFVDKRIEKL DATA SEQUENCE LFNYRARNFP GTLDYAEQQR WLEHRRQVFT PEFLQGYADE LQMLVQQYAD DATA SEQUENCE DKEKVALLKA LWQYADEIVE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 Q HA 0.000 nan 4.340 nan 0.000 0.214 7 Q C 0.000 176.003 176.000 0.006 0.000 1.003 7 Q CA 0.000 55.804 55.803 0.003 0.000 1.022 7 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 8 Q N 0.205 120.011 119.800 0.009 0.000 2.205 8 Q HA 0.620 4.960 4.340 -0.001 0.000 0.249 8 Q C -0.530 175.470 176.000 -0.001 0.000 0.948 8 Q CA -0.568 55.240 55.803 0.008 0.000 0.895 8 Q CB 1.746 30.494 28.738 0.017 0.000 1.249 8 Q HN 0.656 nan 8.270 nan 0.000 0.458 9 S N 1.384 117.075 115.700 -0.014 0.000 2.531 9 S HA 0.322 4.791 4.470 -0.001 0.000 0.279 9 S C 0.251 174.814 174.600 -0.061 0.000 1.305 9 S CA -0.237 57.931 58.200 -0.053 0.000 1.058 9 S CB 0.325 63.484 63.200 -0.067 0.000 0.899 9 S HN 0.641 nan 8.310 nan 0.000 0.493 10 T N 0.076 114.575 114.554 -0.092 0.000 2.901 10 T HA 0.745 5.094 4.350 -0.001 0.000 0.293 10 T C -0.953 173.664 174.700 -0.138 0.000 1.084 10 T CA -0.778 61.312 62.100 -0.016 0.000 1.008 10 T CB 0.664 69.582 68.868 0.084 0.000 1.170 10 T HN 0.252 nan 8.240 nan 0.000 0.509 11 F N 0.752 120.816 119.950 0.190 0.000 2.436 11 F HA 0.659 5.185 4.527 -0.001 0.000 0.340 11 F C -0.293 175.612 175.800 0.176 0.000 1.113 11 F CA -1.189 56.912 58.000 0.169 0.000 1.022 11 F CB 1.851 41.014 39.000 0.273 0.000 1.128 11 F HN 0.448 nan 8.300 nan 0.000 0.466 12 L N 5.077 126.442 121.223 0.238 0.000 2.301 12 L HA 0.507 4.846 4.340 -0.001 0.000 0.278 12 L C -1.249 175.740 176.870 0.199 0.000 1.022 12 L CA -0.255 54.730 54.840 0.242 0.000 0.854 12 L CB -0.269 41.898 42.059 0.180 0.000 1.226 12 L HN 0.353 nan 8.230 nan 0.000 0.429 13 F N 4.327 124.410 119.950 0.222 0.000 2.456 13 F HA 0.429 4.955 4.527 -0.001 0.000 0.358 13 F C 0.644 176.490 175.800 0.076 0.000 1.095 13 F CA 0.210 58.291 58.000 0.136 0.000 1.216 13 F CB 0.460 39.474 39.000 0.025 0.000 1.125 13 F HN 0.680 nan 8.300 nan 0.000 0.549 14 H N -0.599 118.487 119.070 0.028 0.000 2.990 14 H HA 0.779 5.334 4.556 -0.001 0.000 0.343 14 H C -2.075 173.109 175.328 -0.239 0.000 1.270 14 H CA -1.256 54.642 56.048 -0.250 0.000 1.118 14 H CB 2.209 31.825 29.762 -0.244 0.000 1.861 14 H HN 0.424 nan 8.280 nan 0.000 0.544 15 D N -0.129 119.941 120.400 -0.551 0.000 2.836 15 D HA 0.239 4.878 4.640 -0.001 0.000 0.215 15 D C -1.879 174.205 176.300 -0.359 0.000 1.255 15 D CA -0.403 53.380 54.000 -0.362 0.000 0.822 15 D CB 1.501 42.167 40.800 -0.223 0.000 1.656 15 D HN 0.499 nan 8.370 nan 0.000 0.511 16 Y N 1.101 121.396 120.300 -0.008 0.000 2.361 16 Y HA 0.455 5.004 4.550 -0.001 0.000 0.332 16 Y C 0.524 176.470 175.900 0.076 0.000 1.101 16 Y CA -0.594 57.547 58.100 0.069 0.000 1.137 16 Y CB 1.439 39.993 38.460 0.156 0.000 1.207 16 Y HN 0.121 nan 8.280 nan 0.000 0.463 17 E N 1.790 122.095 120.200 0.175 0.000 2.191 17 E HA 0.364 4.713 4.350 -0.001 0.000 0.278 17 E C -0.338 176.298 176.600 0.059 0.000 0.972 17 E CA -0.360 56.095 56.400 0.092 0.000 0.804 17 E CB 1.762 31.449 29.700 -0.021 0.000 1.110 17 E HN 0.734 nan 8.360 nan 0.000 0.394 18 T N -1.893 112.699 114.554 0.063 0.000 2.888 18 T HA 0.478 4.828 4.350 -0.001 0.000 0.288 18 T C 0.220 174.895 174.700 -0.042 0.000 1.063 18 T CA -0.624 61.478 62.100 0.004 0.000 1.010 18 T CB 0.385 69.386 68.868 0.222 0.000 1.214 18 T HN 0.174 nan 8.240 nan 0.000 0.533 19 F N 0.710 120.798 119.950 0.231 0.000 2.732 19 F HA 0.607 5.133 4.527 -0.001 0.000 0.303 19 F C 1.453 177.443 175.800 0.317 0.000 1.110 19 F CA 0.049 58.218 58.000 0.282 0.000 1.355 19 F CB 0.203 39.450 39.000 0.411 0.000 1.081 19 F HN 1.112 nan 8.300 nan 0.000 0.565 20 G N -1.220 107.837 108.800 0.428 0.000 2.356 20 G HA2 0.276 4.236 3.960 -0.001 0.000 0.294 20 G HA3 0.276 4.236 3.960 -0.001 0.000 0.294 20 G C 0.392 175.495 174.900 0.339 0.000 1.423 20 G CA -0.092 45.228 45.100 0.366 0.000 0.806 20 G HN -0.060 nan 8.290 nan 0.000 0.527 21 T N -2.725 112.002 114.554 0.288 0.000 3.023 21 T HA 0.086 4.436 4.350 -0.001 0.000 0.266 21 T C 0.851 175.773 174.700 0.370 0.000 1.093 21 T CA 1.229 63.484 62.100 0.260 0.000 1.129 21 T CB -0.205 68.751 68.868 0.147 0.000 0.899 21 T HN 0.614 nan 8.240 nan 0.000 0.491 22 H N 2.556 121.781 119.070 0.259 0.000 2.652 22 H HA 0.304 4.859 4.556 -0.001 0.000 0.298 22 H C -1.906 173.511 175.328 0.148 0.000 1.076 22 H CA -2.336 53.831 56.048 0.199 0.000 1.360 22 H CB 1.569 31.427 29.762 0.160 0.000 1.421 22 H HN -0.056 nan 8.280 nan 0.000 0.464 23 P HA -0.083 nan 4.420 nan 0.000 0.223 23 P C 0.519 177.867 177.300 0.080 0.000 1.151 23 P CA 1.239 64.341 63.100 0.003 0.000 0.787 23 P CB 0.390 32.005 31.700 -0.141 0.000 0.788 24 A N -1.008 122.016 122.820 0.340 0.000 1.942 24 A HA 0.113 4.432 4.320 -0.001 0.000 0.209 24 A C 1.961 179.567 177.584 0.037 0.000 1.214 24 A CA 0.687 52.817 52.037 0.155 0.000 0.686 24 A CB -1.003 18.094 19.000 0.161 0.000 0.871 24 A HN 0.085 nan 8.150 nan 0.000 0.460 25 L N -0.258 120.927 121.223 -0.063 0.000 2.554 25 L HA 0.151 4.491 4.340 -0.001 0.000 0.225 25 L C -0.192 176.694 176.870 0.027 0.000 1.104 25 L CA 0.052 54.794 54.840 -0.162 0.000 0.866 25 L CB -0.027 41.748 42.059 -0.472 0.000 1.047 25 L HN 0.243 nan 8.230 nan 0.000 0.468 26 D N 0.198 120.670 120.400 0.121 0.000 2.326 26 D HA 0.342 4.981 4.640 -0.001 0.000 0.251 26 D C -0.036 176.217 176.300 -0.078 0.000 1.023 26 D CA -0.430 53.663 54.000 0.155 0.000 0.966 26 D CB 1.615 42.638 40.800 0.371 0.000 1.156 26 D HN -0.138 nan 8.370 nan 0.000 0.494 27 R N 1.129 121.490 120.500 -0.232 0.000 2.604 27 R HA 0.457 4.797 4.340 -0.001 0.000 0.287 27 R C -2.309 174.023 176.300 0.053 0.000 0.970 27 R CA -1.819 54.166 56.100 -0.191 0.000 0.946 27 R CB 1.108 31.162 30.300 -0.409 0.000 1.127 27 R HN 0.274 nan 8.270 nan 0.000 0.473 28 P HA 0.146 nan 4.420 nan 0.000 0.274 28 P C -0.475 176.726 177.300 -0.164 0.000 1.237 28 P CA -0.037 63.045 63.100 -0.031 0.000 0.793 28 P CB 1.046 32.804 31.700 0.097 0.000 0.977 29 A N 1.418 124.067 122.820 -0.284 0.000 1.988 29 A HA 0.134 4.453 4.320 -0.001 0.000 0.198 29 A C 0.835 178.354 177.584 -0.107 0.000 1.507 29 A CA 0.726 52.501 52.037 -0.438 0.000 0.901 29 A CB 0.024 18.445 19.000 -0.965 0.000 1.007 29 A HN 0.628 nan 8.150 nan 0.000 0.502 30 Q N -1.281 118.503 119.800 -0.027 0.000 2.340 30 Q HA 0.557 4.897 4.340 -0.001 0.000 0.276 30 Q C -2.281 173.765 176.000 0.076 0.000 1.048 30 Q CA -0.691 55.060 55.803 -0.087 0.000 0.832 30 Q CB 2.025 30.572 28.738 -0.318 0.000 1.373 30 Q HN 0.336 nan 8.270 nan 0.000 0.409 31 F N 2.045 121.812 119.950 -0.305 0.000 2.520 31 F HA 0.846 5.372 4.527 -0.001 0.000 0.322 31 F C -1.447 173.925 175.800 -0.712 0.000 1.103 31 F CA -0.370 57.245 58.000 -0.641 0.000 0.926 31 F CB 1.811 40.166 39.000 -1.075 0.000 1.154 31 F HN 0.612 nan 8.300 nan 0.000 0.453 32 A N 4.247 126.402 122.820 -1.108 0.000 2.414 32 A HA 0.988 5.307 4.320 -0.001 0.000 0.306 32 A C -1.577 175.451 177.584 -0.927 0.000 1.054 32 A CA -0.128 51.440 52.037 -0.781 0.000 0.724 32 A CB 1.334 20.049 19.000 -0.474 0.000 1.267 32 A HN 1.600 nan 8.150 nan 0.000 0.418 33 A N 1.040 123.563 122.820 -0.495 0.000 2.612 33 A HA 0.848 5.167 4.320 -0.001 0.000 0.293 33 A C -1.383 176.167 177.584 -0.057 0.000 1.075 33 A CA -0.277 51.617 52.037 -0.240 0.000 0.680 33 A CB 0.987 19.951 19.000 -0.060 0.000 1.279 33 A HN 1.659 nan 8.150 nan 0.000 0.411 34 I N -0.006 120.592 120.570 0.047 0.000 2.841 34 I HA 0.520 4.690 4.170 -0.001 0.000 0.298 34 I C -0.617 175.641 176.117 0.235 0.000 1.304 34 I CA -0.588 60.771 61.300 0.099 0.000 1.019 34 I CB 1.944 39.941 38.000 -0.006 0.000 1.282 34 I HN 0.834 nan 8.210 nan 0.000 0.432 35 R N 3.562 124.200 120.500 0.230 0.000 2.368 35 R HA 0.632 4.972 4.340 -0.001 0.000 0.302 35 R C -0.816 175.665 176.300 0.302 0.000 1.002 35 R CA -0.182 56.088 56.100 0.282 0.000 0.929 35 R CB 1.465 31.890 30.300 0.209 0.000 1.073 35 R HN 0.733 nan 8.270 nan 0.000 0.464 36 T N -0.329 114.474 114.554 0.415 0.000 2.930 36 T HA 0.298 4.647 4.350 -0.001 0.000 0.290 36 T C -0.215 174.700 174.700 0.360 0.000 1.052 36 T CA -1.053 61.284 62.100 0.395 0.000 1.017 36 T CB 1.533 70.720 68.868 0.532 0.000 1.137 36 T HN 0.629 nan 8.240 nan 0.000 0.511 37 D N 0.399 120.956 120.400 0.261 0.000 2.380 37 D HA 0.140 4.780 4.640 -0.001 0.000 0.254 37 D C 1.632 178.077 176.300 0.242 0.000 1.288 37 D CA 0.013 54.131 54.000 0.196 0.000 1.008 37 D CB 0.013 40.880 40.800 0.112 0.000 1.099 37 D HN 0.600 nan 8.370 nan 0.000 0.537 38 S N -1.540 114.234 115.700 0.124 0.000 2.507 38 S HA -0.128 4.342 4.470 -0.001 0.000 0.235 38 S C 0.875 175.408 174.600 -0.112 0.000 0.988 38 S CA 0.495 58.756 58.200 0.102 0.000 0.944 38 S CB -0.339 62.869 63.200 0.013 0.000 0.762 38 S HN 0.498 nan 8.310 nan 0.000 0.526 39 E N 0.107 120.219 120.200 -0.147 0.000 2.501 39 E HA 0.268 4.617 4.350 -0.001 0.000 0.200 39 E C -0.529 175.942 176.600 -0.215 0.000 1.016 39 E CA -0.279 55.961 56.400 -0.266 0.000 0.921 39 E CB -0.086 29.564 29.700 -0.084 0.000 1.034 39 E HN 0.469 nan 8.360 nan 0.000 0.468 40 F N -0.403 119.628 119.950 0.134 0.000 2.884 40 F HA -0.242 4.285 4.527 -0.001 0.000 0.294 40 F C 0.141 175.969 175.800 0.046 0.000 0.723 40 F CA -0.023 58.026 58.000 0.082 0.000 1.294 40 F CB -2.432 36.548 39.000 -0.034 0.000 1.551 40 F HN 0.015 nan 8.300 nan 0.000 0.363 41 N N 1.447 120.258 118.700 0.185 0.000 2.475 41 N HA 0.312 5.051 4.740 -0.001 0.000 0.267 41 N C 0.206 175.805 175.510 0.148 0.000 1.169 41 N CA -0.111 53.014 53.050 0.126 0.000 0.947 41 N CB 1.440 39.978 38.487 0.084 0.000 1.061 41 N HN -0.001 nan 8.380 nan 0.000 0.466 42 V N 4.022 124.009 119.914 0.122 0.000 2.493 42 V HA -0.017 4.103 4.120 -0.001 0.000 0.292 42 V C 1.756 177.923 176.094 0.122 0.000 1.016 42 V CA 0.319 62.702 62.300 0.138 0.000 1.097 42 V CB -0.134 31.767 31.823 0.131 0.000 0.947 42 V HN 0.627 nan 8.190 nan 0.000 0.479 43 I N 2.025 122.678 120.570 0.138 0.000 4.288 43 I HA 0.533 4.703 4.170 -0.001 0.000 0.331 43 I C 0.910 177.090 176.117 0.107 0.000 1.322 43 I CA 0.135 61.502 61.300 0.112 0.000 1.149 43 I CB 0.473 38.539 38.000 0.110 0.000 1.112 43 I HN 0.563 nan 8.210 nan 0.000 0.403 44 G N 1.136 110.011 108.800 0.124 0.000 2.601 44 G HA2 0.503 4.463 3.960 -0.001 0.000 0.317 44 G HA3 0.503 4.463 3.960 -0.001 0.000 0.317 44 G C -0.903 174.063 174.900 0.109 0.000 1.246 44 G CA -0.369 44.799 45.100 0.114 0.000 1.012 44 G HN 0.031 nan 8.290 nan 0.000 0.494 45 E N 0.093 120.353 120.200 0.100 0.000 2.283 45 E HA 0.319 4.669 4.350 -0.001 0.000 0.271 45 E C -2.224 174.435 176.600 0.097 0.000 1.031 45 E CA -1.690 54.768 56.400 0.097 0.000 0.868 45 E CB 1.217 30.968 29.700 0.086 0.000 1.094 45 E HN 0.092 nan 8.360 nan 0.000 0.401 46 P HA 0.018 nan 4.420 nan 0.000 0.268 46 P C -0.590 176.757 177.300 0.078 0.000 1.204 46 P CA 0.362 63.489 63.100 0.046 0.000 0.768 46 P CB 0.513 32.238 31.700 0.041 0.000 0.842 47 E N 2.416 122.664 120.200 0.081 0.000 2.102 47 E HA 0.355 4.704 4.350 -0.001 0.000 0.263 47 E C -0.914 175.758 176.600 0.120 0.000 0.894 47 E CA -0.519 56.001 56.400 0.200 0.000 0.746 47 E CB 1.591 31.479 29.700 0.313 0.000 1.129 47 E HN 0.095 nan 8.360 nan 0.000 0.416 48 V N 4.981 124.992 119.914 0.162 0.000 2.569 48 V HA 0.580 4.699 4.120 -0.001 0.000 0.301 48 V C -0.742 175.426 176.094 0.123 0.000 1.044 48 V CA -0.867 61.404 62.300 -0.048 0.000 0.874 48 V CB 0.718 32.501 31.823 -0.066 0.000 1.002 48 V HN 0.550 nan 8.190 nan 0.000 0.424 49 F N 2.762 122.708 119.950 -0.007 0.000 2.713 49 F HA 0.822 5.348 4.527 -0.001 0.000 0.311 49 F C -1.599 174.226 175.800 0.042 0.000 1.141 49 F CA -1.497 56.536 58.000 0.056 0.000 0.939 49 F CB 1.182 40.279 39.000 0.162 0.000 1.325 49 F HN 0.319 nan 8.300 nan 0.000 0.453 50 Y N -0.256 120.330 120.300 0.476 0.000 2.534 50 Y HA 0.608 5.157 4.550 -0.001 0.000 0.329 50 Y C -0.252 175.711 175.900 0.105 0.000 1.154 50 Y CA -1.051 57.196 58.100 0.245 0.000 1.192 50 Y CB 1.798 40.335 38.460 0.128 0.000 1.275 50 Y HN 0.972 nan 8.280 nan 0.000 0.491 51 C N 2.747 121.951 119.300 -0.160 0.000 2.319 51 C HA 0.439 4.899 4.460 -0.001 0.000 0.323 51 C C -0.602 174.334 174.990 -0.090 0.000 1.277 51 C CA -1.300 57.429 59.018 -0.481 0.000 1.517 51 C CB -0.846 26.129 27.740 -1.276 0.000 2.206 51 C HN 0.770 nan 8.230 nan 0.000 0.486 52 K N 6.839 127.229 120.400 -0.016 0.000 2.447 52 K HA 0.225 4.544 4.320 -0.001 0.000 0.281 52 K C -2.180 174.445 176.600 0.042 0.000 1.031 52 K CA -0.407 55.904 56.287 0.040 0.000 1.019 52 K CB 0.461 32.975 32.500 0.024 0.000 0.918 52 K HN 0.575 nan 8.250 nan 0.000 0.476 53 P HA 0.104 nan 4.420 nan 0.000 0.285 53 P C -0.821 176.570 177.300 0.151 0.000 1.259 53 P CA -0.459 62.721 63.100 0.133 0.000 0.794 53 P CB 1.309 33.116 31.700 0.178 0.000 0.940 54 A N 2.806 125.708 122.820 0.138 0.000 2.327 54 A HA 0.156 4.475 4.320 -0.001 0.000 0.255 54 A C 0.961 178.727 177.584 0.304 0.000 1.099 54 A CA -0.099 52.045 52.037 0.178 0.000 0.801 54 A CB -0.195 18.904 19.000 0.166 0.000 1.062 54 A HN 0.642 nan 8.150 nan 0.000 0.496 55 D N -0.514 120.094 120.400 0.347 0.000 2.323 55 D HA -0.033 4.606 4.640 -0.001 0.000 0.239 55 D C 0.067 176.593 176.300 0.377 0.000 1.129 55 D CA 0.546 54.742 54.000 0.328 0.000 0.865 55 D CB 0.015 40.968 40.800 0.256 0.000 0.913 55 D HN 0.491 nan 8.370 nan 0.000 0.517 56 D N -1.017 119.598 120.400 0.359 0.000 2.424 56 D HA 0.046 4.685 4.640 -0.001 0.000 0.220 56 D C -0.563 175.768 176.300 0.052 0.000 1.150 56 D CA -0.692 53.328 54.000 0.033 0.000 0.831 56 D CB -0.642 40.130 40.800 -0.047 0.000 0.981 56 D HN 0.283 nan 8.370 nan 0.000 0.500 57 Y N 0.200 120.623 120.300 0.205 0.000 2.470 57 Y HA 0.490 5.040 4.550 -0.001 0.000 0.341 57 Y C -1.990 174.064 175.900 0.256 0.000 1.021 57 Y CA -1.129 57.068 58.100 0.161 0.000 1.025 57 Y CB 1.544 40.072 38.460 0.113 0.000 1.266 57 Y HN -0.157 nan 8.280 nan 0.000 0.448 58 L N 7.938 128.876 121.223 -0.474 0.000 2.346 58 L HA 0.602 4.941 4.340 -0.001 0.000 0.276 58 L C -2.354 174.031 176.870 -0.808 0.000 1.006 58 L CA -2.121 52.428 54.840 -0.485 0.000 0.817 58 L CB 2.192 43.955 42.059 -0.495 0.000 1.272 58 L HN 0.510 nan 8.230 nan 0.000 0.421 59 P HA 0.060 nan 4.420 nan 0.000 0.272 59 P C -1.186 176.210 177.300 0.160 0.000 1.223 59 P CA -0.439 62.580 63.100 -0.135 0.000 0.784 59 P CB 0.506 32.126 31.700 -0.133 0.000 0.923 60 Q N 2.786 122.740 119.800 0.257 0.000 2.255 60 Q HA 0.018 4.357 4.340 -0.001 0.000 0.280 60 Q C -1.450 174.643 176.000 0.156 0.000 1.068 60 Q CA -1.145 54.788 55.803 0.217 0.000 0.911 60 Q CB -0.050 28.826 28.738 0.229 0.000 1.157 60 Q HN 0.364 nan 8.270 nan 0.000 0.380 61 P HA -0.202 nan 4.420 nan 0.000 0.216 61 P C 1.238 178.567 177.300 0.049 0.000 1.150 61 P CA 1.476 64.582 63.100 0.010 0.000 0.843 61 P CB 0.127 31.756 31.700 -0.119 0.000 0.787 62 G N 0.139 108.971 108.800 0.053 0.000 2.469 62 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.219 62 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.219 62 G C 1.659 176.597 174.900 0.064 0.000 1.150 62 G CA 1.066 46.200 45.100 0.056 0.000 0.763 62 G HN 0.351 nan 8.290 nan 0.000 0.561 63 A N -0.017 122.872 122.820 0.115 0.000 1.898 63 A HA 0.113 4.433 4.320 -0.001 0.000 0.216 63 A C 2.590 180.251 177.584 0.128 0.000 1.181 63 A CA 1.754 53.870 52.037 0.132 0.000 0.620 63 A CB -0.564 18.567 19.000 0.219 0.000 0.819 63 A HN 0.268 nan 8.150 nan 0.000 0.442 64 V N 0.280 120.295 119.914 0.168 0.000 2.427 64 V HA -0.227 3.892 4.120 -0.001 0.000 0.248 64 V C 2.492 178.624 176.094 0.063 0.000 1.051 64 V CA 1.727 64.122 62.300 0.159 0.000 1.048 64 V CB -0.716 31.220 31.823 0.188 0.000 0.666 64 V HN 0.562 nan 8.190 nan 0.000 0.456 65 L N -0.819 120.413 121.223 0.015 0.000 2.131 65 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 65 L C 2.284 179.114 176.870 -0.067 0.000 1.092 65 L CA 1.548 56.348 54.840 -0.066 0.000 0.759 65 L CB -0.439 41.530 42.059 -0.149 0.000 0.903 65 L HN 0.299 nan 8.230 nan 0.000 0.435 66 I N -0.406 120.146 120.570 -0.030 0.000 2.277 66 I HA -0.220 3.950 4.170 -0.001 0.000 0.243 66 I C 2.689 178.793 176.117 -0.023 0.000 1.094 66 I CA 1.828 63.107 61.300 -0.033 0.000 1.393 66 I CB -0.343 37.644 38.000 -0.022 0.000 1.078 66 I HN 0.363 nan 8.210 nan 0.000 0.417 67 T N -2.268 112.288 114.554 0.003 0.000 3.009 67 T HA 0.157 4.506 4.350 -0.001 0.000 0.258 67 T C 1.721 176.431 174.700 0.018 0.000 1.063 67 T CA 0.680 62.783 62.100 0.006 0.000 1.139 67 T CB 0.136 69.008 68.868 0.006 0.000 0.890 67 T HN 0.503 nan 8.240 nan 0.000 0.471 68 G N 1.508 110.325 108.800 0.028 0.000 2.162 68 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.260 68 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.260 68 G C 0.030 174.970 174.900 0.067 0.000 0.976 68 G CA 0.247 45.368 45.100 0.035 0.000 0.655 68 G HN 0.679 nan 8.290 nan 0.000 0.533 69 I N 2.548 123.175 120.570 0.095 0.000 2.307 69 I HA 0.353 4.522 4.170 -0.001 0.000 0.289 69 I C 1.148 177.406 176.117 0.234 0.000 1.021 69 I CA -0.199 61.183 61.300 0.137 0.000 1.224 69 I CB 1.280 39.352 38.000 0.119 0.000 1.376 69 I HN 0.252 nan 8.210 nan 0.000 0.470 70 T N 3.769 118.422 114.554 0.165 0.000 2.882 70 T HA 0.266 4.615 4.350 -0.001 0.000 0.287 70 T C -1.529 173.237 174.700 0.109 0.000 1.014 70 T CA -1.670 60.503 62.100 0.123 0.000 1.049 70 T CB 1.230 70.114 68.868 0.028 0.000 1.001 70 T HN 0.339 nan 8.240 nan 0.000 0.525 71 P HA -0.139 nan 4.420 nan 0.000 0.216 71 P C 1.295 178.343 177.300 -0.419 0.000 1.150 71 P CA 1.197 63.940 63.100 -0.596 0.000 0.837 71 P CB 0.107 30.906 31.700 -1.503 0.000 0.786 72 Q N 0.171 119.783 119.800 -0.314 0.000 2.096 72 Q HA -0.185 4.155 4.340 -0.001 0.000 0.204 72 Q C 2.367 178.334 176.000 -0.056 0.000 0.982 72 Q CA 1.750 57.491 55.803 -0.102 0.000 0.850 72 Q CB -0.733 27.998 28.738 -0.011 0.000 0.901 72 Q HN 0.436 nan 8.270 nan 0.000 0.422 73 E N -0.120 120.048 120.200 -0.053 0.000 2.072 73 E HA -0.167 4.183 4.350 -0.001 0.000 0.191 73 E C 1.840 178.348 176.600 -0.154 0.000 0.985 73 E CA 0.940 57.278 56.400 -0.102 0.000 0.801 73 E CB -0.118 29.522 29.700 -0.099 0.000 0.750 73 E HN 0.363 nan 8.360 nan 0.000 0.452 74 A N 1.378 124.194 122.820 -0.007 0.000 1.930 74 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 74 A C 2.193 179.811 177.584 0.058 0.000 1.175 74 A CA 1.505 53.595 52.037 0.088 0.000 0.627 74 A CB -0.535 18.689 19.000 0.373 0.000 0.815 74 A HN 0.230 nan 8.150 nan 0.000 0.443 75 R N -0.400 120.121 120.500 0.036 0.000 2.081 75 R HA -0.086 4.253 4.340 -0.001 0.000 0.235 75 R C 2.221 178.534 176.300 0.023 0.000 1.131 75 R CA 1.492 57.618 56.100 0.042 0.000 0.960 75 R CB -0.358 29.978 30.300 0.060 0.000 0.856 75 R HN 0.427 nan 8.270 nan 0.000 0.436 76 A N 0.613 123.427 122.820 -0.010 0.000 1.968 76 A HA -0.059 4.260 4.320 -0.001 0.000 0.217 76 A C 1.702 179.271 177.584 -0.026 0.000 1.169 76 A CA 1.162 53.191 52.037 -0.014 0.000 0.638 76 A CB -0.032 18.953 19.000 -0.024 0.000 0.812 76 A HN 0.303 nan 8.150 nan 0.000 0.446 77 K N -0.659 119.690 120.400 -0.084 0.000 2.361 77 K HA 0.172 4.491 4.320 -0.001 0.000 0.194 77 K C 0.979 177.634 176.600 0.092 0.000 1.032 77 K CA 0.309 56.548 56.287 -0.079 0.000 1.048 77 K CB 0.456 32.720 32.500 -0.395 0.000 0.842 77 K HN 0.392 nan 8.250 nan 0.000 0.526 78 G N 0.917 109.784 108.800 0.112 0.000 2.531 78 G HA2 0.302 4.261 3.960 -0.001 0.000 0.313 78 G HA3 0.302 4.261 3.960 -0.001 0.000 0.313 78 G C -0.769 174.219 174.900 0.147 0.000 1.238 78 G CA -0.453 44.774 45.100 0.211 0.000 0.994 78 G HN 0.011 nan 8.290 nan 0.000 0.493 79 E N -0.663 119.634 120.200 0.162 0.000 2.264 79 E HA 0.251 4.600 4.350 -0.001 0.000 0.260 79 E C -0.310 176.326 176.600 0.060 0.000 0.961 79 E CA -0.835 55.626 56.400 0.101 0.000 0.834 79 E CB 1.196 30.962 29.700 0.111 0.000 1.230 79 E HN 0.624 nan 8.360 nan 0.000 0.412 80 N N 0.136 118.839 118.700 0.005 0.000 2.340 80 N HA -0.110 4.629 4.740 -0.001 0.000 0.236 80 N C 0.579 176.085 175.510 -0.008 0.000 1.296 80 N CA 0.095 53.104 53.050 -0.069 0.000 0.896 80 N CB 0.470 38.826 38.487 -0.219 0.000 1.127 80 N HN 0.604 nan 8.380 nan 0.000 0.442 81 E N -0.336 119.837 120.200 -0.045 0.000 2.153 81 E HA -0.179 4.170 4.350 -0.001 0.000 0.194 81 E C 1.664 178.372 176.600 0.180 0.000 0.988 81 E CA 1.052 57.500 56.400 0.080 0.000 0.811 81 E CB -0.244 29.477 29.700 0.035 0.000 0.746 81 E HN 0.710 nan 8.360 nan 0.000 0.466 82 A N 1.146 124.010 122.820 0.073 0.000 1.883 82 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 82 A C 2.353 180.069 177.584 0.219 0.000 1.186 82 A CA 1.935 54.096 52.037 0.206 0.000 0.624 82 A CB -0.706 18.357 19.000 0.104 0.000 0.822 82 A HN 0.394 nan 8.150 nan 0.000 0.444 83 A N -1.757 121.151 122.820 0.145 0.000 1.929 83 A HA 0.102 4.422 4.320 -0.001 0.000 0.216 83 A C 1.994 179.632 177.584 0.090 0.000 1.176 83 A CA 1.316 53.416 52.037 0.106 0.000 0.628 83 A CB -0.631 18.413 19.000 0.073 0.000 0.816 83 A HN 0.575 nan 8.150 nan 0.000 0.444 84 F N 1.235 121.186 119.950 0.001 0.000 2.095 84 F HA -0.148 4.379 4.527 -0.001 0.000 0.298 84 F C 2.552 178.347 175.800 -0.008 0.000 1.104 84 F CA 1.265 59.293 58.000 0.046 0.000 1.232 84 F CB -0.525 38.555 39.000 0.133 0.000 0.987 84 F HN 0.249 nan 8.300 nan 0.000 0.475 85 A N 0.256 123.165 122.820 0.148 0.000 1.908 85 A HA -0.099 4.220 4.320 -0.001 0.000 0.218 85 A C 2.426 179.832 177.584 -0.297 0.000 1.181 85 A CA 1.965 53.996 52.037 -0.010 0.000 0.627 85 A CB -1.609 17.518 19.000 0.212 0.000 0.818 85 A HN 0.517 nan 8.150 nan 0.000 0.445 86 A N -0.470 122.268 122.820 -0.137 0.000 1.883 86 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 86 A C 2.259 179.692 177.584 -0.252 0.000 1.186 86 A CA 1.906 53.853 52.037 -0.150 0.000 0.624 86 A CB -0.491 18.532 19.000 0.038 0.000 0.822 86 A HN 0.541 nan 8.150 nan 0.000 0.444 87 R N -0.548 119.753 120.500 -0.332 0.000 2.081 87 R HA -0.043 4.296 4.340 -0.001 0.000 0.235 87 R C 1.989 178.016 176.300 -0.455 0.000 1.131 87 R CA 1.665 57.495 56.100 -0.451 0.000 0.960 87 R CB -0.367 29.405 30.300 -0.879 0.000 0.856 87 R HN 0.600 nan 8.270 nan 0.000 0.436 88 I N -0.543 119.658 120.570 -0.615 0.000 2.202 88 I HA -0.301 3.868 4.170 -0.001 0.000 0.242 88 I C 2.569 178.252 176.117 -0.724 0.000 1.091 88 I CA 1.250 61.974 61.300 -0.959 0.000 1.368 88 I CB -0.598 36.622 38.000 -1.299 0.000 1.058 88 I HN 0.366 nan 8.210 nan 0.000 0.410 89 H N 1.253 119.954 119.070 -0.614 0.000 2.387 89 H HA -0.181 4.374 4.556 -0.001 0.000 0.299 89 H C 2.411 177.572 175.328 -0.280 0.000 1.099 89 H CA 2.113 57.815 56.048 -0.577 0.000 1.315 89 H CB 0.179 29.231 29.762 -1.184 0.000 1.380 89 H HN 0.403 nan 8.280 nan 0.000 0.513 90 S N 0.254 115.833 115.700 -0.200 0.000 2.382 90 S HA -0.101 4.368 4.470 -0.001 0.000 0.228 90 S C 2.465 177.016 174.600 -0.080 0.000 1.027 90 S CA 1.059 59.190 58.200 -0.116 0.000 0.991 90 S CB -0.710 62.441 63.200 -0.083 0.000 0.823 90 S HN 0.386 nan 8.310 nan 0.000 0.469 91 L N -0.740 120.440 121.223 -0.071 0.000 2.072 91 L HA 0.080 4.419 4.340 -0.001 0.000 0.205 91 L C 2.375 179.394 176.870 0.248 0.000 1.079 91 L CA 1.058 55.954 54.840 0.094 0.000 0.752 91 L CB -0.496 41.657 42.059 0.158 0.000 0.906 91 L HN 0.240 nan 8.230 nan 0.000 0.436 92 F N 0.084 119.971 119.950 -0.105 0.000 2.456 92 F HA -0.082 4.444 4.527 -0.001 0.000 0.298 92 F C 2.489 178.290 175.800 0.001 0.000 1.104 92 F CA 1.166 59.142 58.000 -0.041 0.000 1.435 92 F CB -1.048 37.884 39.000 -0.112 0.000 1.078 92 F HN 0.163 nan 8.300 nan 0.000 0.546 93 T N -3.070 111.515 114.554 0.052 0.000 3.145 93 T HA 0.256 4.606 4.350 -0.001 0.000 0.255 93 T C 0.467 175.153 174.700 -0.024 0.000 1.039 93 T CA -0.012 62.082 62.100 -0.010 0.000 0.928 93 T CB -0.831 67.910 68.868 -0.211 0.000 1.029 93 T HN -0.197 nan 8.240 nan 0.000 0.554 94 V N 3.953 123.868 119.914 0.002 0.000 2.540 94 V HA 0.176 4.296 4.120 -0.001 0.000 0.297 94 V C -2.006 174.080 176.094 -0.013 0.000 1.024 94 V CA -1.459 60.829 62.300 -0.021 0.000 1.105 94 V CB 0.275 32.110 31.823 0.019 0.000 0.938 94 V HN 0.314 nan 8.190 nan 0.000 0.482 95 P HA 0.064 nan 4.420 nan 0.000 0.267 95 P C 0.150 177.457 177.300 0.012 0.000 1.200 95 P CA -0.051 63.043 63.100 -0.009 0.000 0.772 95 P CB 0.138 31.807 31.700 -0.052 0.000 0.855 96 K N -1.626 118.791 120.400 0.027 0.000 3.069 96 K HA -0.132 4.188 4.320 -0.001 0.000 0.267 96 K C -0.509 176.073 176.600 -0.029 0.000 1.082 96 K CA 0.636 56.921 56.287 -0.003 0.000 0.782 96 K CB -2.498 29.997 32.500 -0.009 0.000 1.230 96 K HN 0.484 nan 8.250 nan 0.000 0.488 97 T N 0.646 115.194 114.554 -0.010 0.000 2.767 97 T HA 0.242 4.591 4.350 -0.001 0.000 0.288 97 T C -0.068 174.606 174.700 -0.043 0.000 0.963 97 T CA -0.574 61.514 62.100 -0.020 0.000 1.019 97 T CB 1.309 70.195 68.868 0.030 0.000 0.923 97 T HN 0.376 nan 8.240 nan 0.000 0.468 98 C N 6.252 125.490 119.300 -0.105 0.000 2.256 98 C HA 0.561 5.020 4.460 -0.001 0.000 0.333 98 C C 0.066 175.098 174.990 0.070 0.000 1.183 98 C CA -1.001 57.998 59.018 -0.031 0.000 1.692 98 C CB -2.327 25.351 27.740 -0.104 0.000 2.274 98 C HN 0.760 nan 8.230 nan 0.000 0.509 99 I N 8.303 128.903 120.570 0.050 0.000 2.337 99 I HA 0.428 4.597 4.170 -0.001 0.000 0.291 99 I C 0.340 176.536 176.117 0.131 0.000 1.046 99 I CA 0.606 61.888 61.300 -0.030 0.000 1.324 99 I CB 0.511 38.346 38.000 -0.276 0.000 1.409 99 I HN 0.665 nan 8.210 nan 0.000 0.494 100 L N 3.860 125.170 121.223 0.146 0.000 2.403 100 L HA 1.112 5.452 4.340 -0.001 0.000 0.253 100 L C -0.334 176.564 176.870 0.048 0.000 1.045 100 L CA -0.565 54.351 54.840 0.127 0.000 0.845 100 L CB 2.083 44.190 42.059 0.080 0.000 1.447 100 L HN 0.597 nan 8.230 nan 0.000 0.411 101 G N -0.385 108.407 108.800 -0.014 0.000 2.677 101 G HA2 0.398 4.357 3.960 -0.001 0.000 0.283 101 G HA3 0.398 4.357 3.960 -0.001 0.000 0.283 101 G C -2.550 172.374 174.900 0.039 0.000 1.221 101 G CA -0.451 44.608 45.100 -0.067 0.000 0.851 101 G HN 0.690 nan 8.290 nan 0.000 0.504 102 Y N 1.155 121.409 120.300 -0.075 0.000 2.349 102 Y HA 0.474 5.023 4.550 -0.001 0.000 0.324 102 Y C 0.589 176.483 175.900 -0.010 0.000 1.005 102 Y CA -0.219 57.854 58.100 -0.046 0.000 1.240 102 Y CB 1.343 39.777 38.460 -0.042 0.000 1.117 102 Y HN 0.697 nan 8.280 nan 0.000 0.463 103 N N 2.620 121.169 118.700 -0.251 0.000 2.829 103 N HA -0.264 4.475 4.740 -0.001 0.000 0.250 103 N C 0.449 176.001 175.510 0.070 0.000 1.090 103 N CA 1.257 54.254 53.050 -0.089 0.000 0.781 103 N CB -1.119 37.360 38.487 -0.013 0.000 1.124 103 N HN 0.859 nan 8.380 nan 0.000 0.559 104 N N -0.866 117.870 118.700 0.059 0.000 2.331 104 N HA -0.070 4.669 4.740 -0.001 0.000 0.180 104 N C 1.518 177.129 175.510 0.168 0.000 1.019 104 N CA 1.573 54.713 53.050 0.151 0.000 0.881 104 N CB -0.579 37.996 38.487 0.146 0.000 0.972 104 N HN 0.194 nan 8.380 nan 0.000 0.435 105 V N 1.446 121.424 119.914 0.107 0.000 2.343 105 V HA -0.151 3.968 4.120 -0.001 0.000 0.247 105 V C 2.513 178.661 176.094 0.090 0.000 1.051 105 V CA 1.722 64.084 62.300 0.103 0.000 1.036 105 V CB -0.476 31.383 31.823 0.060 0.000 0.654 105 V HN 0.342 nan 8.190 nan 0.000 0.451 106 R N -2.443 118.107 120.500 0.083 0.000 2.223 106 R HA 0.120 4.459 4.340 -0.001 0.000 0.198 106 R C 1.737 178.143 176.300 0.177 0.000 0.984 106 R CA 0.877 57.029 56.100 0.086 0.000 1.018 106 R CB 0.083 30.412 30.300 0.048 0.000 0.945 106 R HN 0.523 nan 8.270 nan 0.000 0.479 107 F N 0.678 120.648 119.950 0.034 0.000 2.373 107 F HA 0.165 4.691 4.527 -0.001 0.000 0.253 107 F C 0.857 176.702 175.800 0.074 0.000 0.954 107 F CA 0.463 58.487 58.000 0.040 0.000 1.136 107 F CB -0.157 38.865 39.000 0.038 0.000 1.342 107 F HN -0.243 nan 8.300 nan 0.000 0.701 108 D N 0.795 121.249 120.400 0.089 0.000 2.133 108 D HA -0.206 4.433 4.640 -0.001 0.000 0.195 108 D C 1.519 177.886 176.300 0.113 0.000 0.997 108 D CA 1.930 55.981 54.000 0.086 0.000 0.840 108 D CB -0.293 40.775 40.800 0.447 0.000 0.947 108 D HN 0.271 nan 8.370 nan 0.000 0.452 109 D N 0.223 120.753 120.400 0.217 0.000 2.178 109 D HA -0.111 4.529 4.640 -0.001 0.000 0.201 109 D C 1.902 178.277 176.300 0.126 0.000 0.980 109 D CA 0.695 54.864 54.000 0.282 0.000 0.842 109 D CB -0.099 40.923 40.800 0.371 0.000 0.948 109 D HN 0.228 nan 8.370 nan 0.000 0.472 110 E N 0.294 120.498 120.200 0.008 0.000 2.107 110 E HA -0.059 4.291 4.350 -0.001 0.000 0.191 110 E C 2.437 178.920 176.600 -0.195 0.000 0.982 110 E CA 0.183 56.558 56.400 -0.042 0.000 0.809 110 E CB -0.156 29.528 29.700 -0.027 0.000 0.756 110 E HN 0.172 nan 8.360 nan 0.000 0.459 111 V N 1.423 121.093 119.914 -0.407 0.000 2.295 111 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 111 V C 2.385 178.191 176.094 -0.480 0.000 1.049 111 V CA 2.199 64.156 62.300 -0.572 0.000 1.024 111 V CB -1.001 30.177 31.823 -1.075 0.000 0.648 111 V HN 0.266 nan 8.190 nan 0.000 0.447 112 T N -0.161 114.136 114.554 -0.428 0.000 2.652 112 T HA -0.235 4.114 4.350 -0.001 0.000 0.267 112 T C 2.053 176.374 174.700 -0.632 0.000 1.039 112 T CA 1.811 63.555 62.100 -0.593 0.000 1.153 112 T CB -0.300 68.228 68.868 -0.567 0.000 0.863 112 T HN 0.421 nan 8.240 nan 0.000 0.428 113 R N 0.998 121.348 120.500 -0.250 0.000 2.103 113 R HA -0.107 4.232 4.340 -0.001 0.000 0.242 113 R C 2.380 178.625 176.300 -0.092 0.000 1.142 113 R CA 1.912 57.944 56.100 -0.112 0.000 0.960 113 R CB -0.384 29.872 30.300 -0.072 0.000 0.858 113 R HN 0.463 nan 8.270 nan 0.000 0.439 114 N N 0.189 118.820 118.700 -0.114 0.000 2.216 114 N HA -0.049 4.690 4.740 -0.001 0.000 0.183 114 N C 1.740 177.297 175.510 0.078 0.000 1.017 114 N CA 0.898 53.945 53.050 -0.005 0.000 0.861 114 N CB -0.015 38.449 38.487 -0.038 0.000 0.986 114 N HN 0.128 nan 8.380 nan 0.000 0.428 115 I N 0.023 120.579 120.570 -0.022 0.000 2.226 115 I HA -0.255 3.914 4.170 -0.001 0.000 0.245 115 I C 1.363 177.650 176.117 0.284 0.000 1.100 115 I CA 0.886 62.239 61.300 0.089 0.000 1.374 115 I CB -0.190 37.834 38.000 0.040 0.000 1.057 115 I HN 0.106 nan 8.210 nan 0.000 0.413 116 F N 0.182 120.157 119.950 0.041 0.000 2.113 116 F HA -0.232 4.295 4.527 -0.001 0.000 0.297 116 F C 2.560 178.427 175.800 0.111 0.000 1.103 116 F CA 0.964 59.032 58.000 0.114 0.000 1.248 116 F CB -1.600 37.464 39.000 0.106 0.000 0.999 116 F HN 0.099 nan 8.300 nan 0.000 0.475 117 Y N 1.502 121.879 120.300 0.128 0.000 2.081 117 Y HA -0.265 4.284 4.550 -0.001 0.000 0.280 117 Y C 2.530 178.327 175.900 -0.171 0.000 1.163 117 Y CA 1.954 60.033 58.100 -0.035 0.000 1.135 117 Y CB -0.510 37.911 38.460 -0.065 0.000 0.970 117 Y HN -0.068 nan 8.280 nan 0.000 0.498 118 R N -0.121 120.273 120.500 -0.177 0.000 2.148 118 R HA -0.058 4.281 4.340 -0.001 0.000 0.227 118 R C 0.711 176.875 176.300 -0.227 0.000 1.103 118 R CA 1.178 57.096 56.100 -0.304 0.000 0.983 118 R CB -0.209 30.065 30.300 -0.043 0.000 0.874 118 R HN 0.445 nan 8.270 nan 0.000 0.451 119 N N -0.071 118.600 118.700 -0.049 0.000 2.275 119 N HA 0.085 4.824 4.740 -0.001 0.000 0.236 119 N C -0.672 174.809 175.510 -0.049 0.000 1.154 119 N CA 0.013 53.135 53.050 0.121 0.000 0.866 119 N CB 0.639 39.368 38.487 0.403 0.000 1.093 119 N HN 0.035 nan 8.380 nan 0.000 0.515 120 F N -0.541 119.177 119.950 -0.387 0.000 3.018 120 F HA -0.287 4.239 4.527 -0.001 0.000 0.287 120 F C -0.480 175.004 175.800 -0.527 0.000 0.813 120 F CA 0.275 57.978 58.000 -0.496 0.000 1.209 120 F CB -2.547 36.054 39.000 -0.664 0.000 1.321 120 F HN 0.103 nan 8.300 nan 0.000 0.477 121 Y N -0.073 120.132 120.300 -0.158 0.000 2.376 121 Y HA 0.328 4.878 4.550 -0.001 0.000 0.325 121 Y C 0.878 176.754 175.900 -0.040 0.000 1.199 121 Y CA -1.185 56.767 58.100 -0.246 0.000 1.206 121 Y CB 0.400 38.482 38.460 -0.629 0.000 1.229 121 Y HN -0.047 nan 8.280 nan 0.000 0.480 122 D N 3.337 123.853 120.400 0.194 0.000 2.472 122 D HA 0.001 4.641 4.640 -0.001 0.000 0.248 122 D C -1.899 174.685 176.300 0.474 0.000 1.174 122 D CA -0.904 53.289 54.000 0.322 0.000 0.883 122 D CB 1.365 42.358 40.800 0.323 0.000 1.149 122 D HN 0.320 nan 8.370 nan 0.000 0.488 123 P HA -0.019 nan 4.420 nan 0.000 0.233 123 P C -0.041 177.381 177.300 0.203 0.000 1.167 123 P CA 0.876 64.107 63.100 0.219 0.000 0.770 123 P CB 0.156 31.650 31.700 -0.344 0.000 0.837 124 Y N -1.956 118.664 120.300 0.533 0.000 2.652 124 Y HA 0.398 4.947 4.550 -0.001 0.000 0.275 124 Y C 2.431 178.339 175.900 0.012 0.000 1.133 124 Y CA 0.195 58.452 58.100 0.262 0.000 1.246 124 Y CB -1.063 37.609 38.460 0.354 0.000 1.334 124 Y HN -0.211 nan 8.280 nan 0.000 0.493 125 A N 1.865 124.844 122.820 0.265 0.000 1.972 125 A HA -0.178 4.142 4.320 -0.001 0.000 0.219 125 A C 1.909 179.233 177.584 -0.433 0.000 1.169 125 A CA 1.679 53.581 52.037 -0.224 0.000 0.635 125 A CB -1.361 17.570 19.000 -0.114 0.000 0.810 125 A HN 0.759 nan 8.150 nan 0.000 0.446 126 W N 0.948 122.255 121.300 0.012 0.000 2.331 126 W HA -0.204 4.455 4.660 -0.001 0.000 0.291 126 W C 1.723 178.240 176.519 -0.004 0.000 1.214 126 W CA 1.557 58.921 57.345 0.031 0.000 1.228 126 W CB -1.588 28.044 29.460 0.286 0.000 1.135 126 W HN 0.541 nan 8.180 nan 0.000 0.537 127 S N -0.367 114.889 115.700 -0.740 0.000 2.527 127 S HA -0.078 4.392 4.470 -0.001 0.000 0.222 127 S C 1.491 175.992 174.600 -0.165 0.000 0.985 127 S CA 0.859 58.660 58.200 -0.666 0.000 0.921 127 S CB -1.265 61.245 63.200 -1.149 0.000 0.772 127 S HN 0.664 nan 8.310 nan 0.000 0.529 128 W N -0.231 120.952 121.300 -0.195 0.000 2.926 128 W HA 0.413 5.072 4.660 -0.001 0.000 0.221 128 W C -0.031 176.430 176.519 -0.096 0.000 1.030 128 W CA -0.547 56.716 57.345 -0.136 0.000 1.330 128 W CB -0.193 29.180 29.460 -0.144 0.000 0.787 128 W HN 0.122 nan 8.180 nan 0.000 0.736 129 Q N 1.779 121.131 119.800 -0.748 0.000 2.421 129 Q HA 0.016 4.355 4.340 -0.001 0.000 0.255 129 Q C 0.203 176.005 176.000 -0.329 0.000 1.013 129 Q CA 0.509 55.838 55.803 -0.789 0.000 0.895 129 Q CB 0.163 28.237 28.738 -1.107 0.000 1.271 129 Q HN 0.120 nan 8.270 nan 0.000 0.460 130 H N 1.112 120.124 119.070 -0.097 0.000 2.839 130 H HA -0.204 4.352 4.556 -0.001 0.000 0.298 130 H C -0.351 174.965 175.328 -0.020 0.000 1.224 130 H CA 0.977 56.999 56.048 -0.044 0.000 1.144 130 H CB -1.421 28.309 29.762 -0.053 0.000 1.372 130 H HN 0.948 nan 8.280 nan 0.000 0.408 131 D N -1.024 119.417 120.400 0.069 0.000 3.041 131 D HA -0.151 4.488 4.640 -0.001 0.000 0.220 131 D C -0.018 176.296 176.300 0.023 0.000 1.157 131 D CA 1.121 55.148 54.000 0.045 0.000 0.876 131 D CB -0.591 40.228 40.800 0.032 0.000 1.107 131 D HN 0.530 nan 8.370 nan 0.000 0.422 132 N N -0.256 118.462 118.700 0.031 0.000 2.424 132 N HA 0.615 5.354 4.740 -0.001 0.000 0.257 132 N C 0.139 175.646 175.510 -0.004 0.000 1.250 132 N CA 0.395 53.452 53.050 0.013 0.000 0.946 132 N CB 1.216 39.720 38.487 0.028 0.000 1.175 132 N HN 0.307 nan 8.380 nan 0.000 0.477 133 S N -0.938 114.749 115.700 -0.022 0.000 2.688 133 S HA 0.752 5.221 4.470 -0.001 0.000 0.275 133 S C -0.982 173.624 174.600 0.009 0.000 1.175 133 S CA -1.046 57.131 58.200 -0.037 0.000 0.818 133 S CB 2.144 65.281 63.200 -0.105 0.000 1.157 133 S HN 0.521 nan 8.310 nan 0.000 0.482 134 R N -0.725 119.797 120.500 0.036 0.000 2.888 134 R HA 0.769 5.108 4.340 -0.001 0.000 0.266 134 R C -1.746 174.717 176.300 0.272 0.000 1.020 134 R CA -0.678 55.511 56.100 0.148 0.000 0.963 134 R CB 1.351 31.733 30.300 0.137 0.000 1.197 134 R HN 0.649 nan 8.270 nan 0.000 0.481 135 W N 0.352 121.707 121.300 0.092 0.000 2.988 135 W HA 0.396 5.056 4.660 -0.001 0.000 0.355 135 W C -1.786 174.779 176.519 0.076 0.000 1.233 135 W CA -0.515 56.886 57.345 0.094 0.000 1.176 135 W CB 1.872 31.444 29.460 0.186 0.000 1.477 135 W HN 0.501 nan 8.180 nan 0.000 0.582 136 D N 2.340 122.651 120.400 -0.149 0.000 2.764 136 D HA 0.176 4.816 4.640 -0.001 0.000 0.227 136 D C 0.262 176.262 176.300 -0.499 0.000 1.347 136 D CA -0.318 53.543 54.000 -0.231 0.000 0.953 136 D CB 1.620 42.353 40.800 -0.111 0.000 1.476 136 D HN 0.232 nan 8.370 nan 0.000 0.585 137 L N 3.397 124.371 121.223 -0.415 0.000 2.376 137 L HA -0.053 4.286 4.340 -0.001 0.000 0.219 137 L C 2.095 178.752 176.870 -0.354 0.000 1.133 137 L CA 0.593 55.221 54.840 -0.353 0.000 0.816 137 L CB -0.781 41.270 42.059 -0.012 0.000 0.933 137 L HN 0.518 nan 8.230 nan 0.000 0.449 138 L N 0.246 121.050 121.223 -0.699 0.000 1.994 138 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 138 L C 1.977 178.623 176.870 -0.374 0.000 1.071 138 L CA 1.935 56.299 54.840 -0.794 0.000 0.745 138 L CB -0.619 40.935 42.059 -0.842 0.000 0.892 138 L HN 0.156 nan 8.230 nan 0.000 0.431 139 D N -1.103 119.114 120.400 -0.305 0.000 2.269 139 D HA -0.083 4.557 4.640 -0.001 0.000 0.208 139 D C 2.334 178.555 176.300 -0.132 0.000 0.963 139 D CA 1.076 54.945 54.000 -0.218 0.000 0.864 139 D CB 0.011 40.721 40.800 -0.149 0.000 0.936 139 D HN 0.267 nan 8.370 nan 0.000 0.505 140 V N 1.008 120.839 119.914 -0.138 0.000 2.295 140 V HA -0.256 3.863 4.120 -0.001 0.000 0.246 140 V C 2.417 178.575 176.094 0.106 0.000 1.049 140 V CA 1.210 63.500 62.300 -0.017 0.000 1.024 140 V CB -0.310 31.429 31.823 -0.141 0.000 0.648 140 V HN 0.205 nan 8.190 nan 0.000 0.447 141 M N -0.428 119.253 119.600 0.136 0.000 2.117 141 M HA -0.117 4.362 4.480 -0.001 0.000 0.262 141 M C 2.277 178.731 176.300 0.257 0.000 1.065 141 M CA 1.610 57.140 55.300 0.384 0.000 1.114 141 M CB -1.367 31.572 32.600 0.564 0.000 1.361 141 M HN 0.281 nan 8.290 nan 0.000 0.408 142 R N -0.014 120.380 120.500 -0.175 0.000 2.081 142 R HA -0.072 4.267 4.340 -0.001 0.000 0.235 142 R C 2.332 178.514 176.300 -0.196 0.000 1.131 142 R CA 1.560 57.335 56.100 -0.541 0.000 0.960 142 R CB -0.602 29.276 30.300 -0.702 0.000 0.856 142 R HN 0.411 nan 8.270 nan 0.000 0.436 143 A N 0.476 123.245 122.820 -0.084 0.000 1.902 143 A HA -0.214 4.106 4.320 -0.001 0.000 0.217 143 A C 2.390 179.992 177.584 0.030 0.000 1.181 143 A CA 1.464 53.491 52.037 -0.016 0.000 0.623 143 A CB -1.017 18.015 19.000 0.053 0.000 0.818 143 A HN 0.512 nan 8.150 nan 0.000 0.443 144 C N -1.911 117.471 119.300 0.136 0.000 2.413 144 C HA -0.144 4.316 4.460 -0.001 0.000 0.276 144 C C 2.480 177.474 174.990 0.008 0.000 1.236 144 C CA 1.244 60.393 59.018 0.219 0.000 1.735 144 C CB -1.413 26.638 27.740 0.517 0.000 2.031 144 C HN 0.727 nan 8.230 nan 0.000 0.474 145 Y N 1.650 121.657 120.300 -0.489 0.000 2.165 145 Y HA -0.134 4.415 4.550 -0.001 0.000 0.286 145 Y C 2.303 177.915 175.900 -0.479 0.000 1.155 145 Y CA 2.102 59.586 58.100 -1.025 0.000 1.164 145 Y CB -0.563 37.304 38.460 -0.988 0.000 0.978 145 Y HN 0.304 nan 8.280 nan 0.000 0.513 146 A N -0.303 122.343 122.820 -0.290 0.000 1.898 146 A HA -0.009 4.310 4.320 -0.001 0.000 0.214 146 A C 2.103 179.518 177.584 -0.281 0.000 1.183 146 A CA 1.731 53.586 52.037 -0.303 0.000 0.622 146 A CB -0.687 18.211 19.000 -0.170 0.000 0.824 146 A HN 0.520 nan 8.150 nan 0.000 0.444 147 L N -2.571 118.546 121.223 -0.177 0.000 2.500 147 L HA 0.260 4.600 4.340 -0.001 0.000 0.219 147 L C 0.539 177.367 176.870 -0.070 0.000 1.057 147 L CA 0.074 54.844 54.840 -0.118 0.000 0.854 147 L CB 0.247 42.263 42.059 -0.072 0.000 1.078 147 L HN 0.053 nan 8.230 nan 0.000 0.480 148 R N 0.268 120.752 120.500 -0.027 0.000 2.627 148 R HA 0.209 4.548 4.340 -0.001 0.000 0.251 148 R C -2.216 174.161 176.300 0.128 0.000 1.524 148 R CA -1.034 55.095 56.100 0.048 0.000 1.606 148 R CB 0.414 30.772 30.300 0.097 0.000 1.396 148 R HN -0.051 nan 8.270 nan 0.000 0.724 149 P HA -0.057 nan 4.420 nan 0.000 0.241 149 P C 0.280 177.835 177.300 0.424 0.000 1.191 149 P CA 0.228 63.498 63.100 0.284 0.000 0.771 149 P CB 0.565 32.217 31.700 -0.081 0.000 0.929 150 E N 0.803 121.132 120.200 0.215 0.000 2.415 150 E HA 0.195 4.544 4.350 -0.001 0.000 0.263 150 E C 0.957 177.640 176.600 0.139 0.000 0.995 150 E CA 0.814 57.306 56.400 0.153 0.000 0.915 150 E CB -0.463 29.293 29.700 0.093 0.000 0.951 150 E HN 0.232 nan 8.360 nan 0.000 0.449 151 G N 4.027 112.877 108.800 0.084 0.000 2.195 151 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.246 151 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.246 151 G C 0.180 175.049 174.900 -0.051 0.000 0.984 151 G CA 0.204 45.317 45.100 0.022 0.000 0.633 151 G HN 0.540 nan 8.290 nan 0.000 0.525 152 I N 1.024 121.536 120.570 -0.096 0.000 2.493 152 I HA 0.316 4.485 4.170 -0.001 0.000 0.298 152 I C -0.051 175.674 176.117 -0.654 0.000 0.998 152 I CA -0.934 60.108 61.300 -0.431 0.000 1.137 152 I CB 1.727 39.329 38.000 -0.663 0.000 1.310 152 I HN 0.090 nan 8.210 nan 0.000 0.445 153 N N 4.678 123.033 118.700 -0.575 0.000 2.488 153 N HA 0.251 4.990 4.740 -0.001 0.000 0.274 153 N C -1.634 173.538 175.510 -0.564 0.000 1.111 153 N CA -0.352 52.457 53.050 -0.402 0.000 0.974 153 N CB 0.684 39.039 38.487 -0.219 0.000 1.089 153 N HN 0.398 nan 8.380 nan 0.000 0.465 154 W N 3.826 125.145 121.300 0.031 0.000 2.299 154 W HA 0.328 4.988 4.660 -0.001 0.000 0.319 154 W C -1.843 174.628 176.519 -0.080 0.000 1.008 154 W CA -1.557 55.788 57.345 0.001 0.000 1.384 154 W CB 0.772 30.333 29.460 0.169 0.000 1.220 154 W HN 0.310 nan 8.180 nan 0.000 0.402 155 P HA 0.186 nan 4.420 nan 0.000 0.274 155 P C -0.507 176.738 177.300 -0.091 0.000 1.231 155 P CA -0.099 62.970 63.100 -0.052 0.000 0.790 155 P CB 1.474 33.110 31.700 -0.106 0.000 0.951 156 E N 1.110 121.256 120.200 -0.090 0.000 2.242 156 E HA 0.164 4.513 4.350 -0.001 0.000 0.275 156 E C 0.328 176.851 176.600 -0.128 0.000 1.002 156 E CA -0.691 55.655 56.400 -0.090 0.000 0.841 156 E CB 0.900 30.574 29.700 -0.042 0.000 1.109 156 E HN 0.506 nan 8.360 nan 0.000 0.394 157 N N 1.220 119.869 118.700 -0.085 0.000 2.366 157 N HA 0.006 4.745 4.740 -0.001 0.000 0.277 157 N C 0.172 175.658 175.510 -0.040 0.000 1.275 157 N CA -0.268 52.745 53.050 -0.062 0.000 0.964 157 N CB 0.334 38.845 38.487 0.040 0.000 1.167 157 N HN 0.249 nan 8.380 nan 0.000 0.568 158 D N -1.377 119.014 120.400 -0.015 0.000 2.350 158 D HA -0.067 4.573 4.640 -0.001 0.000 0.216 158 D C 0.029 176.331 176.300 0.004 0.000 0.968 158 D CA 0.859 54.853 54.000 -0.008 0.000 0.894 158 D CB -0.167 40.636 40.800 0.006 0.000 0.909 158 D HN 0.493 nan 8.370 nan 0.000 0.520 159 D N -0.895 119.513 120.400 0.014 0.000 2.350 159 D HA 0.138 4.777 4.640 -0.001 0.000 0.213 159 D C 1.555 177.869 176.300 0.023 0.000 1.031 159 D CA 0.570 54.583 54.000 0.022 0.000 0.861 159 D CB 0.660 41.481 40.800 0.036 0.000 0.926 159 D HN 0.232 nan 8.370 nan 0.000 0.520 160 G N 0.625 109.434 108.800 0.014 0.000 2.141 160 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.231 160 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.231 160 G C 0.053 174.971 174.900 0.031 0.000 0.984 160 G CA -0.151 44.960 45.100 0.018 0.000 0.660 160 G HN 0.282 nan 8.290 nan 0.000 0.525 161 L N 1.356 122.595 121.223 0.026 0.000 2.334 161 L HA 0.578 4.918 4.340 -0.001 0.000 0.272 161 L C -1.778 175.062 176.870 -0.050 0.000 1.020 161 L CA -2.693 52.165 54.840 0.030 0.000 0.812 161 L CB 1.793 43.896 42.059 0.074 0.000 1.264 161 L HN -0.126 nan 8.230 nan 0.000 0.439 162 P HA -0.003 nan 4.420 nan 0.000 0.268 162 P C -0.789 176.252 177.300 -0.432 0.000 1.204 162 P CA -0.052 62.813 63.100 -0.391 0.000 0.768 162 P CB 1.239 32.437 31.700 -0.838 0.000 0.842 163 S N 2.053 117.478 115.700 -0.460 0.000 2.489 163 S HA 0.530 4.999 4.470 -0.001 0.000 0.291 163 S C -0.262 173.993 174.600 -0.576 0.000 1.151 163 S CA -0.586 57.450 58.200 -0.273 0.000 1.082 163 S CB -0.125 63.119 63.200 0.075 0.000 1.019 163 S HN 0.241 nan 8.310 nan 0.000 0.492 164 F N 2.277 122.293 119.950 0.109 0.000 2.698 164 F HA 0.405 4.931 4.527 -0.001 0.000 0.304 164 F C 0.974 176.893 175.800 0.198 0.000 1.108 164 F CA -0.638 57.463 58.000 0.168 0.000 1.263 164 F CB 0.319 39.388 39.000 0.115 0.000 1.013 164 F HN 0.312 nan 8.300 nan 0.000 0.532 165 R N 1.118 121.714 120.500 0.161 0.000 2.522 165 R HA 0.049 4.388 4.340 -0.001 0.000 0.284 165 R C 1.385 177.654 176.300 -0.053 0.000 1.032 165 R CA -0.270 55.832 56.100 0.004 0.000 1.049 165 R CB 0.589 30.694 30.300 -0.325 0.000 0.956 165 R HN 0.197 nan 8.270 nan 0.000 0.422 166 L N 4.131 125.262 121.223 -0.154 0.000 2.012 166 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 166 L C 2.266 179.061 176.870 -0.125 0.000 1.073 166 L CA 1.939 56.548 54.840 -0.385 0.000 0.748 166 L CB -0.482 41.230 42.059 -0.577 0.000 0.891 166 L HN 0.741 nan 8.230 nan 0.000 0.431 167 E N -1.479 118.692 120.200 -0.048 0.000 2.153 167 E HA -0.291 4.058 4.350 -0.001 0.000 0.194 167 E C 1.986 178.629 176.600 0.071 0.000 0.988 167 E CA 2.079 58.493 56.400 0.025 0.000 0.811 167 E CB -0.918 28.697 29.700 -0.141 0.000 0.746 167 E HN 0.739 nan 8.360 nan 0.000 0.466 168 H N 0.593 119.644 119.070 -0.031 0.000 2.363 168 H HA 0.105 4.660 4.556 -0.001 0.000 0.301 168 H C 2.417 177.705 175.328 -0.066 0.000 1.074 168 H CA 0.899 56.918 56.048 -0.048 0.000 1.354 168 H CB 0.188 29.918 29.762 -0.055 0.000 1.397 168 H HN 0.055 nan 8.280 nan 0.000 0.516 169 L N 0.473 121.729 121.223 0.055 0.000 2.109 169 L HA -0.134 4.205 4.340 -0.001 0.000 0.207 169 L C 2.834 179.657 176.870 -0.078 0.000 1.086 169 L CA 1.439 56.258 54.840 -0.036 0.000 0.760 169 L CB -0.448 41.598 42.059 -0.022 0.000 0.910 169 L HN 0.475 nan 8.230 nan 0.000 0.437 170 T N -2.510 112.010 114.554 -0.057 0.000 2.737 170 T HA -0.225 4.124 4.350 -0.001 0.000 0.265 170 T C 1.893 176.573 174.700 -0.034 0.000 1.038 170 T CA 1.145 63.208 62.100 -0.062 0.000 1.144 170 T CB -0.217 68.632 68.868 -0.032 0.000 0.866 170 T HN -0.035 nan 8.240 nan 0.000 0.434 171 K N 2.406 122.810 120.400 0.006 0.000 2.044 171 K HA 0.108 4.428 4.320 -0.001 0.000 0.210 171 K C 2.378 178.952 176.600 -0.043 0.000 1.049 171 K CA 1.628 57.910 56.287 -0.009 0.000 0.927 171 K CB -1.121 31.385 32.500 0.011 0.000 0.713 171 K HN 0.472 nan 8.250 nan 0.000 0.443 172 A N -0.237 122.548 122.820 -0.059 0.000 2.119 172 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 172 A C 1.094 178.608 177.584 -0.117 0.000 1.153 172 A CA 1.616 53.599 52.037 -0.089 0.000 0.692 172 A CB -0.372 18.565 19.000 -0.105 0.000 0.799 172 A HN 0.522 nan 8.150 nan 0.000 0.458 173 N N -1.620 117.007 118.700 -0.123 0.000 2.200 173 N HA 0.362 5.102 4.740 -0.001 0.000 0.224 173 N C 0.715 176.161 175.510 -0.107 0.000 1.179 173 N CA 0.639 53.605 53.050 -0.140 0.000 0.877 173 N CB 0.866 39.242 38.487 -0.186 0.000 1.072 173 N HN 0.439 nan 8.380 nan 0.000 0.519 174 G N 0.899 109.649 108.800 -0.083 0.000 2.143 174 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.248 174 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.248 174 G C -0.082 174.776 174.900 -0.069 0.000 0.991 174 G CA -0.170 44.889 45.100 -0.068 0.000 0.689 174 G HN 0.306 nan 8.290 nan 0.000 0.522 175 I N 1.826 122.351 120.570 -0.075 0.000 2.325 175 I HA 0.247 4.417 4.170 -0.001 0.000 0.291 175 I C 0.984 177.074 176.117 -0.045 0.000 1.019 175 I CA -0.717 60.534 61.300 -0.081 0.000 1.302 175 I CB 0.773 38.701 38.000 -0.120 0.000 1.401 175 I HN 0.386 nan 8.210 nan 0.000 0.485 176 E N 6.575 126.748 120.200 -0.045 0.000 2.480 176 E HA 0.073 4.422 4.350 -0.001 0.000 0.258 176 E C -0.621 176.008 176.600 0.048 0.000 0.984 176 E CA 0.138 56.531 56.400 -0.012 0.000 0.930 176 E CB 0.768 30.446 29.700 -0.037 0.000 0.936 176 E HN 0.671 nan 8.360 nan 0.000 0.466 183 A N 2.295 125.062 122.820 -0.088 0.000 1.958 183 A HA -0.290 4.029 4.320 -0.001 0.000 0.221 183 A C 2.055 179.525 177.584 -0.190 0.000 1.178 183 A CA 2.110 54.057 52.037 -0.150 0.000 0.642 183 A CB -0.256 18.609 19.000 -0.226 0.000 0.816 183 A HN 0.580 nan 8.150 nan 0.000 0.453 184 M N 0.009 119.506 119.600 -0.171 0.000 2.059 184 M HA -0.037 4.442 4.480 -0.001 0.000 0.259 184 M C 2.184 178.377 176.300 -0.178 0.000 1.072 184 M CA 2.184 57.360 55.300 -0.206 0.000 1.117 184 M CB -0.581 31.945 32.600 -0.122 0.000 1.320 184 M HN 0.348 nan 8.290 nan 0.000 0.408 185 A N -0.531 122.277 122.820 -0.019 0.000 2.015 185 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 185 A C 1.768 179.385 177.584 0.056 0.000 1.163 185 A CA 1.856 53.955 52.037 0.102 0.000 0.646 185 A CB -1.021 18.078 19.000 0.165 0.000 0.806 185 A HN 0.616 nan 8.150 nan 0.000 0.448 186 D N -0.114 120.297 120.400 0.018 0.000 2.117 186 D HA -0.102 4.538 4.640 -0.001 0.000 0.197 186 D C 2.068 178.264 176.300 -0.173 0.000 0.987 186 D CA 1.344 55.317 54.000 -0.045 0.000 0.829 186 D CB -0.385 40.403 40.800 -0.020 0.000 0.961 186 D HN 0.231 nan 8.370 nan 0.000 0.460 187 V N 0.694 120.479 119.914 -0.216 0.000 2.295 187 V HA -0.272 3.848 4.120 -0.001 0.000 0.246 187 V C 2.153 178.067 176.094 -0.299 0.000 1.049 187 V CA 1.449 63.590 62.300 -0.266 0.000 1.024 187 V CB -0.684 30.919 31.823 -0.365 0.000 0.648 187 V HN 0.148 nan 8.190 nan 0.000 0.447 188 Y N 0.605 120.772 120.300 -0.222 0.000 2.274 188 Y HA -0.089 4.460 4.550 -0.001 0.000 0.290 188 Y C 2.497 178.192 175.900 -0.342 0.000 1.145 188 Y CA 0.809 58.748 58.100 -0.267 0.000 1.203 188 Y CB -1.151 37.199 38.460 -0.184 0.000 0.984 188 Y HN 0.194 nan 8.280 nan 0.000 0.533 189 A N -0.608 122.057 122.820 -0.258 0.000 1.933 189 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 189 A C 2.302 179.657 177.584 -0.381 0.000 1.175 189 A CA 2.204 53.959 52.037 -0.470 0.000 0.628 189 A CB -1.126 17.249 19.000 -1.043 0.000 0.814 189 A HN 0.414 nan 8.150 nan 0.000 0.444 190 T N 0.339 114.707 114.554 -0.310 0.000 2.777 190 T HA -0.063 4.287 4.350 -0.001 0.000 0.266 190 T C 1.786 176.310 174.700 -0.293 0.000 1.040 190 T CA 1.423 63.410 62.100 -0.188 0.000 1.141 190 T CB -0.396 68.488 68.868 0.027 0.000 0.868 190 T HN 0.434 nan 8.240 nan 0.000 0.444 191 I N 1.518 121.724 120.570 -0.606 0.000 2.226 191 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 191 I C 2.955 178.751 176.117 -0.535 0.000 1.100 191 I CA 1.145 61.884 61.300 -0.935 0.000 1.374 191 I CB -0.517 36.950 38.000 -0.889 0.000 1.057 191 I HN 0.196 nan 8.210 nan 0.000 0.413 192 A N 0.770 123.372 122.820 -0.363 0.000 1.908 192 A HA -0.220 4.100 4.320 -0.001 0.000 0.218 192 A C 2.337 179.773 177.584 -0.247 0.000 1.181 192 A CA 1.575 53.450 52.037 -0.270 0.000 0.627 192 A CB -0.423 18.439 19.000 -0.230 0.000 0.818 192 A HN 0.295 nan 8.150 nan 0.000 0.445 193 M N -0.421 119.038 119.600 -0.235 0.000 2.132 193 M HA -0.077 4.402 4.480 -0.001 0.000 0.263 193 M C 2.513 178.732 176.300 -0.135 0.000 1.065 193 M CA 1.511 56.720 55.300 -0.152 0.000 1.122 193 M CB -1.675 30.869 32.600 -0.094 0.000 1.365 193 M HN 0.478 nan 8.290 nan 0.000 0.411 194 A N 0.710 123.395 122.820 -0.225 0.000 1.883 194 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 194 A C 2.315 179.642 177.584 -0.429 0.000 1.186 194 A CA 1.796 53.654 52.037 -0.298 0.000 0.624 194 A CB -0.592 17.981 19.000 -0.711 0.000 0.822 194 A HN 0.485 nan 8.150 nan 0.000 0.444 195 K N -0.960 119.201 120.400 -0.399 0.000 2.097 195 K HA -0.098 4.221 4.320 -0.001 0.000 0.206 195 K C 1.936 178.417 176.600 -0.198 0.000 1.049 195 K CA 1.283 57.438 56.287 -0.220 0.000 0.933 195 K CB -0.377 32.034 32.500 -0.148 0.000 0.717 195 K HN 0.409 nan 8.250 nan 0.000 0.442 196 L N 0.974 122.090 121.223 -0.178 0.000 1.989 196 L HA -0.208 4.131 4.340 -0.001 0.000 0.211 196 L C 2.067 178.877 176.870 -0.099 0.000 1.071 196 L CA 1.569 56.333 54.840 -0.127 0.000 0.749 196 L CB -0.311 41.675 42.059 -0.121 0.000 0.890 196 L HN -0.101 nan 8.230 nan 0.000 0.431 197 V N -0.320 119.548 119.914 -0.076 0.000 2.358 197 V HA -0.288 3.831 4.120 -0.001 0.000 0.246 197 V C 2.582 178.605 176.094 -0.119 0.000 1.047 197 V CA 2.046 64.368 62.300 0.037 0.000 1.035 197 V CB -0.782 31.222 31.823 0.301 0.000 0.658 197 V HN 0.513 nan 8.190 nan 0.000 0.452 198 K N 0.508 120.548 120.400 -0.600 0.000 2.103 198 K HA -0.221 4.098 4.320 -0.001 0.000 0.207 198 K C 2.228 178.717 176.600 -0.185 0.000 1.048 198 K CA 2.056 57.938 56.287 -0.676 0.000 0.930 198 K CB -0.224 31.801 32.500 -0.791 0.000 0.716 198 K HN 0.725 nan 8.250 nan 0.000 0.444 199 T N -1.715 112.756 114.554 -0.137 0.000 2.851 199 T HA -0.014 4.335 4.350 -0.001 0.000 0.262 199 T C 1.872 176.565 174.700 -0.012 0.000 1.043 199 T CA 0.537 62.603 62.100 -0.056 0.000 1.140 199 T CB -0.117 68.716 68.868 -0.057 0.000 0.872 199 T HN 0.236 nan 8.240 nan 0.000 0.446 200 R N 0.464 120.963 120.500 -0.001 0.000 2.223 200 R HA 0.247 4.586 4.340 -0.001 0.000 0.198 200 R C 0.615 176.963 176.300 0.080 0.000 0.984 200 R CA 0.412 56.531 56.100 0.032 0.000 1.018 200 R CB 0.309 30.619 30.300 0.017 0.000 0.945 200 R HN 0.312 nan 8.270 nan 0.000 0.479 201 Q N -0.055 119.815 119.800 0.117 0.000 3.075 201 Q HA 0.208 4.548 4.340 -0.001 0.000 0.318 201 Q C -2.243 173.887 176.000 0.217 0.000 0.907 201 Q CA -1.621 54.284 55.803 0.170 0.000 0.882 201 Q CB 1.731 30.600 28.738 0.218 0.000 1.386 201 Q HN 0.035 nan 8.270 nan 0.000 0.408 202 P HA -0.116 nan 4.420 nan 0.000 0.216 202 P C 1.201 178.664 177.300 0.273 0.000 1.153 202 P CA 1.112 64.333 63.100 0.201 0.000 0.848 202 P CB 0.416 32.193 31.700 0.128 0.000 0.787 203 R N -0.831 119.799 120.500 0.217 0.000 2.075 203 R HA -0.041 4.298 4.340 -0.001 0.000 0.232 203 R C 2.245 178.714 176.300 0.281 0.000 1.126 203 R CA 0.837 57.070 56.100 0.221 0.000 0.963 203 R CB -1.661 28.730 30.300 0.152 0.000 0.858 203 R HN 0.227 nan 8.270 nan 0.000 0.435 204 L N 0.437 121.823 121.223 0.272 0.000 2.046 204 L HA -0.105 4.235 4.340 -0.001 0.000 0.208 204 L C 2.150 179.280 176.870 0.432 0.000 1.077 204 L CA 1.444 56.466 54.840 0.305 0.000 0.747 204 L CB -0.665 41.539 42.059 0.243 0.000 0.896 204 L HN -0.020 nan 8.230 nan 0.000 0.432 205 F N 0.577 120.718 119.950 0.318 0.000 2.095 205 F HA -0.265 4.261 4.527 -0.001 0.000 0.298 205 F C 2.183 178.242 175.800 0.432 0.000 1.104 205 F CA 2.117 60.361 58.000 0.407 0.000 1.232 205 F CB -0.341 38.864 39.000 0.343 0.000 0.987 205 F HN 0.211 nan 8.300 nan 0.000 0.475 206 D N -1.078 119.610 120.400 0.480 0.000 2.117 206 D HA -0.244 4.396 4.640 -0.001 0.000 0.197 206 D C 1.988 178.463 176.300 0.292 0.000 0.987 206 D CA 1.564 55.780 54.000 0.360 0.000 0.829 206 D CB -0.833 40.158 40.800 0.318 0.000 0.961 206 D HN 0.431 nan 8.370 nan 0.000 0.460 207 Y N 1.302 121.729 120.300 0.211 0.000 2.128 207 Y HA -0.177 4.372 4.550 -0.001 0.000 0.284 207 Y C 2.186 178.202 175.900 0.193 0.000 1.154 207 Y CA 1.461 59.671 58.100 0.184 0.000 1.149 207 Y CB -0.388 38.126 38.460 0.089 0.000 0.976 207 Y HN -0.081 nan 8.280 nan 0.000 0.505 208 L N -1.331 120.041 121.223 0.249 0.000 2.056 208 L HA -0.188 4.151 4.340 -0.001 0.000 0.207 208 L C 2.335 179.189 176.870 -0.027 0.000 1.078 208 L CA 1.373 56.345 54.840 0.220 0.000 0.749 208 L CB -0.774 41.566 42.059 0.470 0.000 0.901 208 L HN 0.288 nan 8.230 nan 0.000 0.433 209 F N 1.031 120.723 119.950 -0.430 0.000 2.075 209 F HA -0.245 4.281 4.527 -0.001 0.000 0.297 209 F C 2.512 177.941 175.800 -0.619 0.000 1.113 209 F CA 2.112 59.465 58.000 -1.080 0.000 1.218 209 F CB -0.654 37.821 39.000 -0.874 0.000 0.984 209 F HN -0.075 nan 8.300 nan 0.000 0.472 210 T N -0.635 113.670 114.554 -0.414 0.000 2.759 210 T HA -0.225 4.125 4.350 -0.001 0.000 0.269 210 T C 1.539 175.896 174.700 -0.572 0.000 1.042 210 T CA 1.733 63.550 62.100 -0.473 0.000 1.140 210 T CB -0.547 68.192 68.868 -0.216 0.000 0.864 210 T HN 0.440 nan 8.240 nan 0.000 0.455 211 H N 1.006 119.773 119.070 -0.505 0.000 2.536 211 H HA 0.131 4.686 4.556 -0.001 0.000 0.276 211 H C 2.221 177.369 175.328 -0.300 0.000 1.019 211 H CA 0.147 55.950 56.048 -0.408 0.000 1.159 211 H CB 0.113 29.557 29.762 -0.531 0.000 1.373 211 H HN 0.453 nan 8.280 nan 0.000 0.584 212 R N 0.851 121.139 120.500 -0.353 0.000 2.189 212 R HA -0.062 4.277 4.340 -0.001 0.000 0.223 212 R C 0.624 176.774 176.300 -0.249 0.000 1.092 212 R CA 0.434 56.362 56.100 -0.287 0.000 0.989 212 R CB -0.078 29.921 30.300 -0.503 0.000 0.876 212 R HN 0.054 nan 8.270 nan 0.000 0.457 213 N N 2.149 120.659 118.700 -0.317 0.000 2.458 213 N HA -0.035 4.705 4.740 -0.001 0.000 0.270 213 N C 0.462 175.833 175.510 -0.231 0.000 1.102 213 N CA -0.050 52.836 53.050 -0.273 0.000 0.967 213 N CB 1.332 39.643 38.487 -0.292 0.000 1.078 213 N HN 0.398 nan 8.380 nan 0.000 0.471 214 K N 3.826 124.067 120.400 -0.264 0.000 2.209 214 K HA -0.144 4.176 4.320 -0.001 0.000 0.204 214 K C 0.868 177.305 176.600 -0.271 0.000 1.048 214 K CA 1.149 57.274 56.287 -0.269 0.000 0.940 214 K CB -0.159 32.137 32.500 -0.340 0.000 0.729 214 K HN 0.559 nan 8.250 nan 0.000 0.451 215 H N 1.259 120.259 119.070 -0.117 0.000 2.395 215 H HA 0.070 4.625 4.556 -0.001 0.000 0.299 215 H C 1.833 177.097 175.328 -0.107 0.000 1.070 215 H CA 0.971 56.955 56.048 -0.108 0.000 1.356 215 H CB 0.098 29.786 29.762 -0.122 0.000 1.401 215 H HN 0.178 nan 8.280 nan 0.000 0.524 216 K N 0.986 121.338 120.400 -0.080 0.000 2.057 216 K HA -0.070 4.250 4.320 -0.001 0.000 0.207 216 K C 2.494 179.072 176.600 -0.036 0.000 1.049 216 K CA 0.479 56.653 56.287 -0.189 0.000 0.931 216 K CB -0.607 31.552 32.500 -0.569 0.000 0.714 216 K HN 0.266 nan 8.250 nan 0.000 0.440 217 L N 0.464 121.683 121.223 -0.007 0.000 2.012 217 L HA -0.153 4.187 4.340 -0.001 0.000 0.210 217 L C 2.692 179.625 176.870 0.105 0.000 1.073 217 L CA 1.202 56.093 54.840 0.084 0.000 0.748 217 L CB -0.491 41.593 42.059 0.042 0.000 0.891 217 L HN 0.150 nan 8.230 nan 0.000 0.431 218 M N -0.490 119.171 119.600 0.101 0.000 2.144 218 M HA -0.250 4.230 4.480 -0.001 0.000 0.260 218 M C 2.410 178.792 176.300 0.137 0.000 1.067 218 M CA 1.945 57.341 55.300 0.160 0.000 1.095 218 M CB -0.553 32.124 32.600 0.129 0.000 1.365 218 M HN 0.359 nan 8.290 nan 0.000 0.406 219 A N -0.006 122.875 122.820 0.102 0.000 2.070 219 A HA -0.077 4.242 4.320 -0.001 0.000 0.220 219 A C 1.980 179.629 177.584 0.108 0.000 1.159 219 A CA 1.135 53.227 52.037 0.091 0.000 0.656 219 A CB -0.747 18.297 19.000 0.074 0.000 0.800 219 A HN 0.504 nan 8.150 nan 0.000 0.453 220 L N -0.767 120.533 121.223 0.127 0.000 2.418 220 L HA 0.166 4.506 4.340 -0.001 0.000 0.218 220 L C 0.184 177.106 176.870 0.086 0.000 1.125 220 L CA 0.145 55.055 54.840 0.117 0.000 0.835 220 L CB -0.153 41.986 42.059 0.134 0.000 0.953 220 L HN 0.250 nan 8.230 nan 0.000 0.454 221 I N 0.666 121.295 120.570 0.099 0.000 2.312 221 I HA 0.090 4.260 4.170 -0.001 0.000 0.291 221 I C -0.416 175.762 176.117 0.103 0.000 1.031 221 I CA 0.023 61.374 61.300 0.085 0.000 1.293 221 I CB 0.854 38.931 38.000 0.129 0.000 1.403 221 I HN -0.092 nan 8.210 nan 0.000 0.484 222 D N 6.609 127.045 120.400 0.060 0.000 2.438 222 D HA 0.200 4.839 4.640 -0.001 0.000 0.257 222 D C 0.671 176.994 176.300 0.039 0.000 1.148 222 D CA -0.333 53.702 54.000 0.058 0.000 0.902 222 D CB 1.626 42.450 40.800 0.039 0.000 1.062 222 D HN 0.209 nan 8.370 nan 0.000 0.518 223 V N 4.666 124.620 119.914 0.066 0.000 2.307 223 V HA -0.082 4.038 4.120 -0.001 0.000 0.245 223 V C -0.796 175.316 176.094 0.030 0.000 1.045 223 V CA 1.267 63.590 62.300 0.040 0.000 1.024 223 V CB -1.051 30.826 31.823 0.091 0.000 0.651 223 V HN 0.448 nan 8.190 nan 0.000 0.449 224 P HA -0.180 nan 4.420 nan 0.000 0.216 224 P C 1.577 178.884 177.300 0.011 0.000 1.153 224 P CA 1.312 64.427 63.100 0.025 0.000 0.858 224 P CB -0.000 31.715 31.700 0.026 0.000 0.789 225 Q N -1.971 117.835 119.800 0.009 0.000 2.425 225 Q HA 0.198 4.537 4.340 -0.001 0.000 0.204 225 Q C 0.603 176.597 176.000 -0.011 0.000 0.933 225 Q CA 0.078 55.880 55.803 -0.002 0.000 0.939 225 Q CB -0.711 28.026 28.738 -0.001 0.000 1.044 225 Q HN 0.128 nan 8.270 nan 0.000 0.513 226 M N 0.670 120.265 119.600 -0.010 0.000 2.169 226 M HA -0.293 4.187 4.480 -0.001 0.000 0.196 226 M C -0.329 175.957 176.300 -0.023 0.000 0.355 226 M CA 0.455 55.742 55.300 -0.021 0.000 0.396 226 M CB -1.373 31.212 32.600 -0.024 0.000 1.125 226 M HN 0.013 nan 8.290 nan 0.000 0.939 227 K N 2.831 123.222 120.400 -0.015 0.000 2.412 227 K HA 0.221 4.540 4.320 -0.001 0.000 0.284 227 K C -1.950 174.644 176.600 -0.011 0.000 1.046 227 K CA -0.953 55.325 56.287 -0.015 0.000 0.999 227 K CB 0.689 33.189 32.500 0.001 0.000 0.941 227 K HN 0.054 nan 8.250 nan 0.000 0.474 228 P HA 0.102 nan 4.420 nan 0.000 0.275 228 P C -0.945 176.391 177.300 0.060 0.000 1.228 228 P CA -0.073 63.027 63.100 -0.001 0.000 0.786 228 P CB 0.811 32.456 31.700 -0.091 0.000 0.927 229 L N 1.383 122.692 121.223 0.143 0.000 2.371 229 L HA 0.489 4.828 4.340 -0.001 0.000 0.262 229 L C 0.104 177.166 176.870 0.319 0.000 1.006 229 L CA -1.445 53.508 54.840 0.188 0.000 0.818 229 L CB 2.326 44.451 42.059 0.110 0.000 1.354 229 L HN 0.100 nan 8.230 nan 0.000 0.415 230 V N 0.944 121.024 119.914 0.276 0.000 2.583 230 V HA 0.315 4.434 4.120 -0.001 0.000 0.287 230 V C -1.052 175.152 176.094 0.185 0.000 1.051 230 V CA 0.115 62.500 62.300 0.141 0.000 1.010 230 V CB 0.992 32.808 31.823 -0.011 0.000 0.988 230 V HN 0.755 nan 8.190 nan 0.000 0.478 231 H N 4.280 123.389 119.070 0.064 0.000 2.689 231 H HA 0.616 5.172 4.556 -0.001 0.000 0.346 231 H C -1.270 174.148 175.328 0.149 0.000 1.037 231 H CA -0.547 55.575 56.048 0.123 0.000 1.234 231 H CB 1.898 31.783 29.762 0.205 0.000 1.572 231 H HN 0.474 nan 8.280 nan 0.000 0.524 232 V N 4.556 124.378 119.914 -0.152 0.000 2.370 232 V HA 0.536 4.656 4.120 -0.001 0.000 0.283 232 V C -0.165 175.631 176.094 -0.498 0.000 1.023 232 V CA -0.404 61.753 62.300 -0.238 0.000 0.857 232 V CB 1.058 32.795 31.823 -0.143 0.000 0.985 232 V HN 0.817 nan 8.190 nan 0.000 0.443 233 S N 2.948 118.336 115.700 -0.519 0.000 2.543 233 S HA 0.561 5.031 4.470 -0.001 0.000 0.271 233 S C 1.050 175.405 174.600 -0.407 0.000 1.148 233 S CA 0.140 57.976 58.200 -0.607 0.000 0.914 233 S CB 1.868 64.444 63.200 -1.041 0.000 1.096 233 S HN 0.944 nan 8.310 nan 0.000 0.471 234 G N 3.448 112.065 108.800 -0.304 0.000 2.470 234 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.220 234 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.220 234 G C 1.332 176.136 174.900 -0.160 0.000 1.121 234 G CA 1.129 46.103 45.100 -0.210 0.000 0.766 234 G HN 0.873 nan 8.290 nan 0.000 0.553 235 M N -1.665 117.793 119.600 -0.236 0.000 2.460 235 M HA 0.224 4.703 4.480 -0.001 0.000 0.263 235 M C 1.722 177.991 176.300 -0.051 0.000 1.071 235 M CA 1.121 56.325 55.300 -0.160 0.000 1.096 235 M CB -0.414 32.058 32.600 -0.212 0.000 1.408 235 M HN 0.007 nan 8.290 nan 0.000 0.463 236 F N 2.127 122.012 119.950 -0.109 0.000 2.367 236 F HA 0.420 4.946 4.527 -0.001 0.000 0.298 236 F C 1.632 177.292 175.800 -0.233 0.000 1.094 236 F CA 0.427 58.335 58.000 -0.153 0.000 1.409 236 F CB -0.765 38.084 39.000 -0.253 0.000 1.064 236 F HN 0.416 nan 8.300 nan 0.000 0.528 237 G N -0.634 108.146 108.800 -0.034 0.000 2.784 237 G HA2 0.174 4.133 3.960 -0.001 0.000 0.686 237 G HA3 0.174 4.133 3.960 -0.001 0.000 0.686 237 G C 0.613 175.364 174.900 -0.248 0.000 1.156 237 G CA -0.545 44.513 45.100 -0.070 0.000 0.757 237 G HN 0.428 nan 8.290 nan 0.000 0.642 238 A N 2.386 125.197 122.820 -0.015 0.000 2.070 238 A HA 0.066 4.385 4.320 -0.001 0.000 0.220 238 A C 2.059 179.658 177.584 0.025 0.000 1.159 238 A CA 2.309 54.364 52.037 0.031 0.000 0.656 238 A CB -0.709 18.372 19.000 0.136 0.000 0.800 238 A HN 1.794 nan 8.150 nan 0.000 0.453 239 W N 1.157 122.491 121.300 0.057 0.000 2.392 239 W HA -0.141 4.519 4.660 -0.001 0.000 0.279 239 W C 1.100 177.646 176.519 0.044 0.000 1.225 239 W CA 0.970 58.343 57.345 0.046 0.000 1.233 239 W CB -0.544 28.935 29.460 0.031 0.000 1.122 239 W HN 0.512 nan 8.180 nan 0.000 0.561 240 R N 0.391 120.466 120.500 -0.708 0.000 2.700 240 R HA 0.461 4.800 4.340 -0.001 0.000 0.377 240 R C 1.104 177.198 176.300 -0.342 0.000 1.130 240 R CA 0.077 55.820 56.100 -0.595 0.000 1.055 240 R CB -0.310 29.340 30.300 -1.084 0.000 1.387 240 R HN -0.002 nan 8.270 nan 0.000 0.580 241 G N 1.983 110.712 108.800 -0.120 0.000 2.283 241 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.280 241 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.280 241 G C 0.005 174.845 174.900 -0.100 0.000 1.029 241 G CA 0.306 45.451 45.100 0.075 0.000 0.840 241 G HN 0.604 nan 8.290 nan 0.000 0.505 242 N N -1.574 117.005 118.700 -0.202 0.000 2.714 242 N HA -0.174 4.565 4.740 -0.001 0.000 0.250 242 N C 0.161 175.641 175.510 -0.050 0.000 1.117 242 N CA 1.942 54.898 53.050 -0.157 0.000 0.719 242 N CB -1.407 36.934 38.487 -0.244 0.000 1.081 242 N HN 0.752 nan 8.380 nan 0.000 0.557 243 T N -0.434 114.019 114.554 -0.168 0.000 2.893 243 T HA 0.618 4.967 4.350 -0.001 0.000 0.293 243 T C -0.270 174.125 174.700 -0.508 0.000 1.027 243 T CA -0.388 61.578 62.100 -0.223 0.000 0.988 243 T CB 3.043 71.743 68.868 -0.281 0.000 1.043 243 T HN 0.098 nan 8.240 nan 0.000 0.461 244 S N 0.415 115.794 115.700 -0.535 0.000 2.656 244 S HA 0.658 5.128 4.470 -0.001 0.000 0.273 244 S C -1.785 172.615 174.600 -0.333 0.000 1.168 244 S CA -0.745 57.087 58.200 -0.613 0.000 0.817 244 S CB 0.977 63.570 63.200 -1.012 0.000 1.146 244 S HN 0.572 nan 8.310 nan 0.000 0.475 245 W N 3.104 124.327 121.300 -0.129 0.000 2.361 245 W HA 0.550 5.210 4.660 -0.001 0.000 0.309 245 W C -0.093 176.414 176.519 -0.021 0.000 1.122 245 W CA -0.696 56.623 57.345 -0.043 0.000 1.208 245 W CB 0.991 30.426 29.460 -0.041 0.000 1.246 245 W HN 0.557 nan 8.180 nan 0.000 0.490 246 V N 0.662 120.729 119.914 0.256 0.000 2.960 246 V HA 0.978 5.097 4.120 -0.001 0.000 0.315 246 V C -0.620 175.530 176.094 0.092 0.000 1.087 246 V CA -1.357 61.041 62.300 0.163 0.000 0.982 246 V CB 1.356 33.287 31.823 0.179 0.000 1.039 246 V HN 0.556 nan 8.190 nan 0.000 0.437 247 A N 3.265 126.107 122.820 0.038 0.000 2.393 247 A HA 0.966 5.286 4.320 -0.001 0.000 0.306 247 A C -3.053 174.500 177.584 -0.052 0.000 1.050 247 A CA -1.912 50.120 52.037 -0.008 0.000 0.724 247 A CB 1.978 20.971 19.000 -0.012 0.000 1.248 247 A HN 0.772 nan 8.150 nan 0.000 0.424 248 P HA 0.326 nan 4.420 nan 0.000 0.287 248 P C 0.089 177.315 177.300 -0.123 0.000 1.281 248 P CA -0.130 62.871 63.100 -0.165 0.000 0.781 248 P CB 1.182 32.752 31.700 -0.217 0.000 0.903 249 L N 1.936 123.081 121.223 -0.131 0.000 2.388 249 L HA 0.435 4.774 4.340 -0.001 0.000 0.209 249 L C 1.061 177.892 176.870 -0.066 0.000 1.061 249 L CA 0.594 55.391 54.840 -0.072 0.000 0.834 249 L CB 0.055 42.088 42.059 -0.043 0.000 1.029 249 L HN 0.466 nan 8.230 nan 0.000 0.473 250 A N -1.928 120.815 122.820 -0.128 0.000 2.567 250 A HA 0.447 4.766 4.320 -0.001 0.000 0.291 250 A C -2.384 175.097 177.584 -0.172 0.000 1.048 250 A CA -0.671 51.331 52.037 -0.058 0.000 0.661 250 A CB 0.092 19.092 19.000 -0.001 0.000 1.288 250 A HN 0.040 nan 8.150 nan 0.000 0.424 251 W N 1.311 122.576 121.300 -0.057 0.000 2.313 251 W HA 0.472 5.131 4.660 -0.001 0.000 0.328 251 W C 0.967 177.454 176.519 -0.052 0.000 1.197 251 W CA 0.446 57.754 57.345 -0.062 0.000 1.235 251 W CB 0.480 29.913 29.460 -0.046 0.000 1.158 251 W HN 0.712 nan 8.180 nan 0.000 0.578 252 H N 5.366 124.468 119.070 0.054 0.000 3.094 252 H HA -0.044 4.512 4.556 -0.001 0.000 0.320 252 H C -1.194 174.178 175.328 0.074 0.000 1.000 252 H CA -0.227 55.808 56.048 -0.022 0.000 1.413 252 H CB 1.098 30.800 29.762 -0.101 0.000 1.405 252 H HN 0.193 nan 8.280 nan 0.000 0.586 253 P HA -0.071 nan 4.420 nan 0.000 0.230 253 P C 0.488 177.911 177.300 0.206 0.000 1.158 253 P CA 0.951 64.123 63.100 0.119 0.000 0.769 253 P CB 0.726 32.449 31.700 0.038 0.000 0.807 254 E N -1.368 119.090 120.200 0.430 0.000 2.406 254 E HA 0.059 4.408 4.350 -0.001 0.000 0.204 254 E C 0.578 177.263 176.600 0.142 0.000 0.820 254 E CA 0.192 56.753 56.400 0.269 0.000 1.136 254 E CB -0.640 29.228 29.700 0.280 0.000 1.129 254 E HN 0.105 nan 8.360 nan 0.000 0.530 255 N N 2.064 120.783 118.700 0.033 0.000 2.415 255 N HA 0.050 4.789 4.740 -0.001 0.000 0.246 255 N C 0.756 176.267 175.510 0.002 0.000 1.078 255 N CA 0.068 53.037 53.050 -0.136 0.000 0.942 255 N CB 0.800 38.995 38.487 -0.487 0.000 1.140 255 N HN -0.031 nan 8.380 nan 0.000 0.501 256 R N 2.875 123.376 120.500 0.001 0.000 2.193 256 R HA 0.033 4.372 4.340 -0.001 0.000 0.229 256 R C 0.287 176.591 176.300 0.007 0.000 1.110 256 R CA 1.049 57.133 56.100 -0.026 0.000 0.988 256 R CB 0.246 30.490 30.300 -0.094 0.000 0.871 256 R HN 0.528 nan 8.270 nan 0.000 0.458 257 N N -0.591 118.133 118.700 0.041 0.000 2.236 257 N HA 0.086 4.825 4.740 -0.001 0.000 0.196 257 N C -0.836 174.759 175.510 0.142 0.000 1.114 257 N CA 0.303 53.409 53.050 0.093 0.000 0.859 257 N CB 1.314 39.821 38.487 0.033 0.000 0.982 257 N HN 0.092 nan 8.380 nan 0.000 0.493 258 A N 0.694 123.557 122.820 0.071 0.000 2.303 258 A HA 0.542 4.862 4.320 -0.001 0.000 0.320 258 A C -0.391 177.077 177.584 -0.193 0.000 1.192 258 A CA -0.509 51.387 52.037 -0.234 0.000 0.821 258 A CB 1.516 20.222 19.000 -0.490 0.000 1.188 258 A HN -0.030 nan 8.150 nan 0.000 0.492 259 V N 4.331 123.893 119.914 -0.587 0.000 2.547 259 V HA 0.550 4.669 4.120 -0.001 0.000 0.299 259 V C -0.434 175.294 176.094 -0.610 0.000 1.040 259 V CA -0.779 60.969 62.300 -0.920 0.000 0.913 259 V CB 1.402 32.309 31.823 -1.526 0.000 0.992 259 V HN 0.701 nan 8.190 nan 0.000 0.449 260 I N 7.724 127.983 120.570 -0.517 0.000 2.301 260 I HA 0.326 4.495 4.170 -0.001 0.000 0.292 260 I C 0.161 176.113 176.117 -0.276 0.000 1.046 260 I CA 0.085 61.151 61.300 -0.391 0.000 1.282 260 I CB 0.936 38.744 38.000 -0.319 0.000 1.409 260 I HN 0.409 nan 8.210 nan 0.000 0.484 261 M N 6.159 125.634 119.600 -0.207 0.000 2.478 261 M HA 0.421 4.900 4.480 -0.001 0.000 0.327 261 M C -0.517 175.775 176.300 -0.013 0.000 1.187 261 M CA -0.802 54.426 55.300 -0.119 0.000 1.022 261 M CB 2.262 34.795 32.600 -0.113 0.000 1.629 261 M HN 0.270 nan 8.290 nan 0.000 0.461 262 V N 2.366 122.289 119.914 0.016 0.000 2.435 262 V HA 0.250 4.369 4.120 -0.001 0.000 0.290 262 V C -0.792 175.363 176.094 0.101 0.000 1.030 262 V CA -0.522 61.815 62.300 0.063 0.000 0.881 262 V CB 1.650 33.497 31.823 0.041 0.000 0.983 262 V HN 0.828 nan 8.190 nan 0.000 0.445 263 D N 5.129 125.614 120.400 0.142 0.000 2.344 263 D HA 0.148 4.787 4.640 -0.001 0.000 0.253 263 D C 1.045 177.398 176.300 0.087 0.000 1.255 263 D CA 0.174 54.253 54.000 0.132 0.000 0.894 263 D CB 0.981 41.878 40.800 0.161 0.000 1.067 263 D HN 0.564 nan 8.370 nan 0.000 0.492 264 L N 3.194 124.467 121.223 0.083 0.000 2.275 264 L HA -0.086 4.254 4.340 -0.001 0.000 0.215 264 L C 2.206 179.146 176.870 0.118 0.000 1.119 264 L CA 0.871 55.755 54.840 0.073 0.000 0.790 264 L CB -0.196 41.912 42.059 0.082 0.000 0.919 264 L HN 0.459 nan 8.230 nan 0.000 0.443 265 A N 0.034 122.939 122.820 0.141 0.000 2.167 265 A HA 0.172 4.492 4.320 -0.001 0.000 0.214 265 A C 1.466 179.211 177.584 0.269 0.000 1.151 265 A CA 0.735 52.912 52.037 0.234 0.000 0.735 265 A CB -0.651 18.382 19.000 0.055 0.000 0.802 265 A HN 0.358 nan 8.150 nan 0.000 0.467 266 G N -0.644 108.277 108.800 0.203 0.000 2.535 266 G HA2 0.368 4.328 3.960 -0.001 0.000 0.282 266 G HA3 0.368 4.328 3.960 -0.001 0.000 0.282 266 G C -0.849 174.209 174.900 0.263 0.000 1.350 266 G CA -0.004 45.212 45.100 0.193 0.000 1.039 266 G HN 0.181 nan 8.290 nan 0.000 0.509 267 D N -0.560 119.944 120.400 0.174 0.000 2.396 267 D HA 0.161 4.800 4.640 -0.001 0.000 0.225 267 D C 1.489 177.847 176.300 0.096 0.000 1.121 267 D CA -0.683 53.406 54.000 0.149 0.000 0.853 267 D CB 0.568 41.431 40.800 0.104 0.000 1.043 267 D HN 0.298 nan 8.370 nan 0.000 0.500 268 I N 0.668 121.281 120.570 0.072 0.000 3.684 268 I HA 0.040 4.209 4.170 -0.001 0.000 0.304 268 I C 1.358 177.495 176.117 0.033 0.000 1.278 268 I CA -0.292 61.034 61.300 0.043 0.000 1.272 268 I CB 0.022 38.032 38.000 0.017 0.000 1.029 268 I HN 0.062 nan 8.210 nan 0.000 0.458 269 S N 2.549 118.271 115.700 0.038 0.000 2.368 269 S HA -0.114 4.356 4.470 -0.001 0.000 0.226 269 S C -0.292 174.322 174.600 0.023 0.000 1.044 269 S CA 2.148 60.365 58.200 0.028 0.000 1.062 269 S CB -1.364 61.855 63.200 0.032 0.000 0.931 269 S HN 0.444 nan 8.310 nan 0.000 0.440 270 P HA -0.060 nan 4.420 nan 0.000 0.216 270 P C 1.395 178.704 177.300 0.016 0.000 1.150 270 P CA 0.886 63.998 63.100 0.020 0.000 0.837 270 P CB -0.132 31.582 31.700 0.024 0.000 0.786 271 L N -1.629 119.607 121.223 0.021 0.000 2.083 271 L HA -0.160 4.179 4.340 -0.001 0.000 0.209 271 L C 2.388 179.265 176.870 0.012 0.000 1.083 271 L CA 1.410 56.261 54.840 0.018 0.000 0.752 271 L CB -0.770 41.304 42.059 0.025 0.000 0.899 271 L HN 0.002 nan 8.230 nan 0.000 0.433 272 L N -0.523 120.707 121.223 0.011 0.000 2.095 272 L HA -0.126 4.214 4.340 -0.001 0.000 0.204 272 L C 2.062 178.935 176.870 0.005 0.000 1.080 272 L CA 1.107 55.951 54.840 0.006 0.000 0.759 272 L CB -0.299 41.764 42.059 0.005 0.000 0.914 272 L HN 0.377 nan 8.230 nan 0.000 0.439 273 E N -0.893 119.311 120.200 0.006 0.000 2.538 273 E HA 0.201 4.550 4.350 -0.001 0.000 0.207 273 E C -0.096 176.505 176.600 0.003 0.000 1.002 273 E CA -0.233 56.170 56.400 0.005 0.000 0.952 273 E CB 0.653 30.357 29.700 0.006 0.000 1.031 273 E HN 0.110 nan 8.360 nan 0.000 0.476 274 L N 2.332 123.556 121.223 0.002 0.000 2.370 274 L HA 0.304 4.643 4.340 -0.001 0.000 0.266 274 L C -0.812 176.055 176.870 -0.005 0.000 1.002 274 L CA -0.832 54.007 54.840 -0.001 0.000 0.818 274 L CB 2.067 44.125 42.059 -0.001 0.000 1.325 274 L HN 0.151 nan 8.230 nan 0.000 0.418 275 D N -0.550 119.846 120.400 -0.008 0.000 2.377 275 D HA 0.205 4.844 4.640 -0.001 0.000 0.245 275 D C 0.925 177.213 176.300 -0.019 0.000 1.196 275 D CA 0.128 54.121 54.000 -0.011 0.000 0.962 275 D CB 0.737 41.531 40.800 -0.010 0.000 1.127 275 D HN 0.509 nan 8.370 nan 0.000 0.471 276 S N 0.052 115.738 115.700 -0.023 0.000 2.423 276 S HA -0.200 4.269 4.470 -0.001 0.000 0.231 276 S C 1.154 175.723 174.600 -0.051 0.000 1.014 276 S CA 0.846 59.023 58.200 -0.039 0.000 0.965 276 S CB -0.368 62.811 63.200 -0.035 0.000 0.785 276 S HN 0.514 nan 8.310 nan 0.000 0.495 277 D N 2.038 122.416 120.400 -0.037 0.000 2.097 277 D HA -0.040 4.599 4.640 -0.001 0.000 0.197 277 D C 2.058 178.335 176.300 -0.038 0.000 0.984 277 D CA 1.790 55.767 54.000 -0.038 0.000 0.826 277 D CB -0.942 39.844 40.800 -0.024 0.000 0.973 277 D HN 0.448 nan 8.370 nan 0.000 0.460 278 T N 1.559 116.096 114.554 -0.029 0.000 2.759 278 T HA -0.093 4.257 4.350 -0.001 0.000 0.269 278 T C 2.268 176.948 174.700 -0.033 0.000 1.042 278 T CA 0.634 62.720 62.100 -0.024 0.000 1.140 278 T CB -0.261 68.598 68.868 -0.015 0.000 0.864 278 T HN 0.109 nan 8.240 nan 0.000 0.455 279 L N -0.261 120.936 121.223 -0.042 0.000 2.109 279 L HA 0.060 4.399 4.340 -0.001 0.000 0.207 279 L C 1.936 178.751 176.870 -0.092 0.000 1.086 279 L CA 0.755 55.562 54.840 -0.055 0.000 0.760 279 L CB -0.294 41.732 42.059 -0.054 0.000 0.910 279 L HN 0.123 nan 8.230 nan 0.000 0.437 296 V N 2.116 122.068 119.914 0.064 0.000 2.326 296 V HA 0.489 4.608 4.120 -0.001 0.000 0.281 296 V C -2.124 174.029 176.094 0.097 0.000 1.015 296 V CA -0.901 61.438 62.300 0.065 0.000 0.823 296 V CB 1.309 33.158 31.823 0.042 0.000 1.009 296 V HN 0.696 nan 8.190 nan 0.000 0.436 297 P HA 0.242 nan 4.420 nan 0.000 0.218 297 P C -0.525 176.859 177.300 0.141 0.000 1.793 297 P CA 0.067 63.248 63.100 0.135 0.000 0.941 297 P CB 0.562 32.336 31.700 0.123 0.000 1.919 298 V N 2.201 122.206 119.914 0.152 0.000 2.604 298 V HA 0.488 4.607 4.120 -0.001 0.000 0.305 298 V C 0.165 176.370 176.094 0.185 0.000 1.043 298 V CA -0.501 61.899 62.300 0.167 0.000 0.888 298 V CB 2.647 34.595 31.823 0.208 0.000 0.995 298 V HN 0.323 nan 8.190 nan 0.000 0.429 299 K N 4.889 125.365 120.400 0.127 0.000 2.502 299 K HA 0.680 4.999 4.320 -0.001 0.000 0.257 299 K C -1.752 174.806 176.600 -0.071 0.000 0.938 299 K CA -0.897 55.436 56.287 0.078 0.000 0.819 299 K CB 2.153 34.696 32.500 0.072 0.000 1.333 299 K HN 0.498 nan 8.250 nan 0.000 0.434 300 L N 2.482 123.629 121.223 -0.127 0.000 2.349 300 L HA 0.358 4.697 4.340 -0.001 0.000 0.275 300 L C -0.464 176.233 176.870 -0.289 0.000 1.115 300 L CA -1.113 53.532 54.840 -0.325 0.000 0.820 300 L CB 1.413 43.235 42.059 -0.396 0.000 1.135 300 L HN 0.380 nan 8.230 nan 0.000 0.445 301 V N 2.320 121.991 119.914 -0.405 0.000 2.417 301 V HA 0.240 4.360 4.120 -0.001 0.000 0.291 301 V C -0.610 175.262 176.094 -0.369 0.000 1.024 301 V CA -0.656 61.451 62.300 -0.321 0.000 0.861 301 V CB 1.366 32.940 31.823 -0.415 0.000 0.985 301 V HN 0.588 nan 8.190 nan 0.000 0.436 302 H N 4.712 123.715 119.070 -0.111 0.000 2.597 302 H HA 0.355 4.910 4.556 -0.001 0.000 0.303 302 H C 1.215 176.516 175.328 -0.044 0.000 1.057 302 H CA -0.493 55.512 56.048 -0.073 0.000 1.261 302 H CB 1.001 30.724 29.762 -0.064 0.000 1.397 302 H HN 0.704 nan 8.280 nan 0.000 0.461 303 I N 0.067 120.668 120.570 0.051 0.000 3.001 303 I HA -0.104 4.065 4.170 -0.001 0.000 0.268 303 I C 1.039 177.155 176.117 -0.002 0.000 1.267 303 I CA 0.627 61.944 61.300 0.029 0.000 1.472 303 I CB -0.010 38.029 38.000 0.066 0.000 1.089 303 I HN 0.445 nan 8.210 nan 0.000 0.468 304 N N 1.817 120.525 118.700 0.013 0.000 2.270 304 N HA -0.008 4.731 4.740 -0.001 0.000 0.198 304 N C 0.482 176.002 175.510 0.017 0.000 1.117 304 N CA 0.015 53.053 53.050 -0.020 0.000 0.845 304 N CB -0.017 38.448 38.487 -0.037 0.000 0.980 304 N HN 0.494 nan 8.380 nan 0.000 0.486 305 K N 0.565 120.994 120.400 0.048 0.000 2.726 305 K HA 0.222 4.541 4.320 -0.001 0.000 0.209 305 K C -0.365 176.280 176.600 0.075 0.000 1.082 305 K CA -0.316 56.005 56.287 0.057 0.000 1.081 305 K CB -0.029 32.497 32.500 0.043 0.000 0.830 305 K HN 0.126 nan 8.250 nan 0.000 0.470 306 C N 2.295 121.642 119.300 0.079 0.000 4.028 306 C HA -0.098 4.362 4.460 -0.001 0.000 0.300 306 C C -1.546 173.520 174.990 0.126 0.000 1.399 306 C CA -0.855 58.238 59.018 0.125 0.000 2.051 306 C CB -2.548 25.324 27.740 0.220 0.000 1.318 306 C HN 0.471 nan 8.230 nan 0.000 0.696 307 P HA 0.375 nan 4.420 nan 0.000 0.275 307 P C -0.143 177.260 177.300 0.173 0.000 1.228 307 P CA 0.361 63.550 63.100 0.150 0.000 0.786 307 P CB 0.791 32.573 31.700 0.138 0.000 0.927 308 V N 4.599 124.629 119.914 0.193 0.000 2.389 308 V HA 0.208 4.327 4.120 -0.001 0.000 0.264 308 V C 0.594 176.855 176.094 0.279 0.000 1.049 308 V CA 0.128 62.547 62.300 0.198 0.000 0.932 308 V CB -0.270 31.621 31.823 0.113 0.000 1.011 308 V HN 0.388 nan 8.190 nan 0.000 0.475 309 L N 4.628 125.989 121.223 0.231 0.000 2.431 309 L HA 0.946 5.285 4.340 -0.001 0.000 0.266 309 L C -0.210 176.787 176.870 0.213 0.000 0.978 309 L CA -0.420 54.539 54.840 0.199 0.000 0.822 309 L CB 2.200 44.327 42.059 0.114 0.000 1.310 309 L HN 0.709 nan 8.230 nan 0.000 0.409 310 A N 1.996 124.910 122.820 0.157 0.000 2.609 310 A HA 0.581 4.901 4.320 -0.001 0.000 0.291 310 A C -1.345 176.283 177.584 0.073 0.000 1.096 310 A CA -0.707 51.385 52.037 0.093 0.000 0.684 310 A CB 1.692 20.640 19.000 -0.087 0.000 1.282 310 A HN 0.691 nan 8.150 nan 0.000 0.412 311 Q N 0.805 120.625 119.800 0.034 0.000 2.369 311 Q HA 0.370 4.709 4.340 -0.001 0.000 0.295 311 Q C 1.008 177.066 176.000 0.097 0.000 1.075 311 Q CA 0.268 56.103 55.803 0.054 0.000 0.941 311 Q CB 0.554 29.307 28.738 0.025 0.000 1.260 311 Q HN 1.276 nan 8.270 nan 0.000 0.417 312 A N 3.338 126.237 122.820 0.130 0.000 1.948 312 A HA -0.285 4.035 4.320 -0.001 0.000 0.220 312 A C 1.736 179.525 177.584 0.342 0.000 1.177 312 A CA 1.820 54.020 52.037 0.271 0.000 0.636 312 A CB -0.836 18.154 19.000 -0.017 0.000 0.815 312 A HN 0.994 nan 8.150 nan 0.000 0.449 313 N N -0.308 118.477 118.700 0.142 0.000 2.571 313 N HA -0.061 4.678 4.740 -0.001 0.000 0.189 313 N C 0.956 176.522 175.510 0.093 0.000 1.154 313 N CA 1.520 54.642 53.050 0.121 0.000 0.907 313 N CB -1.234 37.279 38.487 0.043 0.000 0.977 313 N HN 0.317 nan 8.380 nan 0.000 0.449 314 T N 0.589 115.182 114.554 0.065 0.000 2.833 314 T HA -0.078 4.272 4.350 -0.001 0.000 0.269 314 T C 0.621 175.318 174.700 -0.004 0.000 1.054 314 T CA 0.329 62.420 62.100 -0.015 0.000 1.135 314 T CB -0.151 68.663 68.868 -0.090 0.000 0.869 314 T HN 0.203 nan 8.240 nan 0.000 0.466 315 L N 3.190 124.442 121.223 0.048 0.000 2.295 315 L HA 0.308 4.647 4.340 -0.001 0.000 0.288 315 L C 0.139 177.055 176.870 0.076 0.000 1.079 315 L CA -0.380 54.436 54.840 -0.039 0.000 0.830 315 L CB 0.063 41.949 42.059 -0.288 0.000 1.200 315 L HN -0.041 nan 8.230 nan 0.000 0.438 316 R N 5.588 126.098 120.500 0.017 0.000 2.582 316 R HA 0.218 4.558 4.340 -0.001 0.000 0.271 316 R C -1.509 174.822 176.300 0.052 0.000 1.078 316 R CA -1.286 54.840 56.100 0.042 0.000 1.127 316 R CB -0.005 30.299 30.300 0.008 0.000 1.038 316 R HN 0.455 nan 8.270 nan 0.000 0.500 317 P HA -0.276 nan 4.420 nan 0.000 0.215 317 P C 0.920 178.239 177.300 0.032 0.000 1.157 317 P CA 1.420 64.566 63.100 0.076 0.000 0.874 317 P CB 0.088 31.824 31.700 0.059 0.000 0.790 318 E N -0.215 119.991 120.200 0.009 0.000 2.118 318 E HA -0.224 4.125 4.350 -0.001 0.000 0.195 318 E C 1.199 177.773 176.600 -0.044 0.000 0.992 318 E CA 1.472 57.865 56.400 -0.012 0.000 0.804 318 E CB -1.183 28.509 29.700 -0.013 0.000 0.741 318 E HN 0.327 nan 8.360 nan 0.000 0.458 319 D N 1.290 121.650 120.400 -0.067 0.000 2.183 319 D HA 0.049 4.688 4.640 -0.001 0.000 0.205 319 D C 2.028 178.240 176.300 -0.148 0.000 0.962 319 D CA 1.266 55.189 54.000 -0.128 0.000 0.849 319 D CB -0.091 40.615 40.800 -0.157 0.000 0.978 319 D HN 0.291 nan 8.370 nan 0.000 0.488 320 A N 1.448 124.194 122.820 -0.123 0.000 1.908 320 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 320 A C 1.979 179.521 177.584 -0.069 0.000 1.181 320 A CA 2.125 54.079 52.037 -0.138 0.000 0.627 320 A CB -0.625 18.365 19.000 -0.017 0.000 0.818 320 A HN 0.111 nan 8.150 nan 0.000 0.445 321 D N -0.936 119.448 120.400 -0.027 0.000 2.097 321 D HA -0.190 4.449 4.640 -0.001 0.000 0.195 321 D C 2.152 178.436 176.300 -0.027 0.000 0.989 321 D CA 1.548 55.542 54.000 -0.010 0.000 0.827 321 D CB -0.187 40.613 40.800 0.001 0.000 0.966 321 D HN 0.451 nan 8.370 nan 0.000 0.456 322 R N -0.267 120.200 120.500 -0.054 0.000 2.091 322 R HA -0.063 4.276 4.340 -0.001 0.000 0.238 322 R C 1.973 178.238 176.300 -0.058 0.000 1.136 322 R CA 1.108 57.170 56.100 -0.063 0.000 0.959 322 R CB -0.206 30.026 30.300 -0.112 0.000 0.856 322 R HN 0.278 nan 8.270 nan 0.000 0.437 323 L N -0.537 120.629 121.223 -0.095 0.000 2.591 323 L HA 0.236 4.575 4.340 -0.001 0.000 0.228 323 L C 1.101 177.939 176.870 -0.055 0.000 1.133 323 L CA 0.449 55.232 54.840 -0.095 0.000 0.880 323 L CB 0.323 42.272 42.059 -0.184 0.000 1.033 323 L HN 0.616 nan 8.230 nan 0.000 0.450 324 G N 1.198 109.984 108.800 -0.022 0.000 2.143 324 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.248 324 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.248 324 G C 0.193 175.101 174.900 0.014 0.000 0.991 324 G CA -0.190 44.925 45.100 0.025 0.000 0.689 324 G HN 0.317 nan 8.290 nan 0.000 0.522 325 I N 1.003 121.546 120.570 -0.044 0.000 2.396 325 I HA 0.157 4.326 4.170 -0.001 0.000 0.289 325 I C 0.401 176.567 176.117 0.082 0.000 1.056 325 I CA -0.702 60.570 61.300 -0.046 0.000 1.365 325 I CB 0.958 38.815 38.000 -0.237 0.000 1.407 325 I HN 0.071 nan 8.210 nan 0.000 0.509 326 N N 6.969 125.749 118.700 0.133 0.000 2.469 326 N HA 0.095 4.835 4.740 -0.001 0.000 0.239 326 N C 1.020 176.687 175.510 0.262 0.000 1.053 326 N CA 0.008 53.160 53.050 0.169 0.000 0.937 326 N CB 0.675 39.232 38.487 0.117 0.000 1.163 326 N HN 0.552 nan 8.380 nan 0.000 0.509 327 R N 2.660 123.324 120.500 0.273 0.000 2.073 327 R HA -0.189 4.150 4.340 -0.001 0.000 0.234 327 R C 1.276 177.605 176.300 0.048 0.000 1.134 327 R CA 1.525 57.742 56.100 0.194 0.000 0.952 327 R CB 0.079 30.440 30.300 0.101 0.000 0.850 327 R HN 0.474 nan 8.270 nan 0.000 0.433 328 Q N 0.009 119.849 119.800 0.066 0.000 2.084 328 Q HA -0.215 4.125 4.340 -0.001 0.000 0.202 328 Q C 1.829 177.864 176.000 0.058 0.000 0.978 328 Q CA 2.278 58.102 55.803 0.035 0.000 0.844 328 Q CB -0.475 28.289 28.738 0.044 0.000 0.898 328 Q HN 0.582 nan 8.270 nan 0.000 0.426 329 H N -1.228 117.859 119.070 0.027 0.000 2.319 329 H HA -0.116 4.439 4.556 -0.001 0.000 0.299 329 H C 1.897 177.241 175.328 0.026 0.000 1.092 329 H CA 2.164 58.231 56.048 0.031 0.000 1.302 329 H CB -0.458 29.333 29.762 0.049 0.000 1.373 329 H HN 0.382 nan 8.280 nan 0.000 0.497 330 C N 0.034 119.370 119.300 0.060 0.000 2.432 330 C HA -0.096 4.363 4.460 -0.001 0.000 0.277 330 C C 2.935 177.860 174.990 -0.108 0.000 1.249 330 C CA 1.007 60.024 59.018 -0.002 0.000 1.725 330 C CB -1.122 26.700 27.740 0.138 0.000 2.028 330 C HN 0.553 nan 8.230 nan 0.000 0.477 331 L N 0.629 121.777 121.223 -0.125 0.000 2.093 331 L HA -0.135 4.204 4.340 -0.001 0.000 0.208 331 L C 2.273 179.073 176.870 -0.116 0.000 1.085 331 L CA 1.385 56.141 54.840 -0.140 0.000 0.755 331 L CB -0.803 41.171 42.059 -0.142 0.000 0.904 331 L HN 0.317 nan 8.230 nan 0.000 0.435 332 D N 0.178 120.508 120.400 -0.117 0.000 2.117 332 D HA -0.165 4.475 4.640 -0.001 0.000 0.197 332 D C 1.906 178.126 176.300 -0.134 0.000 0.987 332 D CA 1.236 55.169 54.000 -0.111 0.000 0.829 332 D CB -0.365 40.377 40.800 -0.098 0.000 0.961 332 D HN 0.391 nan 8.370 nan 0.000 0.460 333 N N 0.032 118.610 118.700 -0.203 0.000 2.120 333 N HA -0.145 4.594 4.740 -0.001 0.000 0.188 333 N C 1.784 177.234 175.510 -0.099 0.000 1.024 333 N CA 0.327 53.276 53.050 -0.168 0.000 0.852 333 N CB -0.054 38.306 38.487 -0.213 0.000 1.003 333 N HN 0.005 nan 8.380 nan 0.000 0.424 334 L N 1.990 123.154 121.223 -0.097 0.000 2.042 334 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 334 L C 1.799 178.631 176.870 -0.064 0.000 1.076 334 L CA 1.741 56.537 54.840 -0.074 0.000 0.749 334 L CB -0.356 41.650 42.059 -0.089 0.000 0.893 334 L HN 0.021 nan 8.230 nan 0.000 0.432 335 K N -0.453 119.905 120.400 -0.069 0.000 2.009 335 K HA -0.165 4.154 4.320 -0.001 0.000 0.210 335 K C 2.108 178.682 176.600 -0.044 0.000 1.049 335 K CA 2.030 58.284 56.287 -0.055 0.000 0.929 335 K CB -0.384 32.083 32.500 -0.054 0.000 0.714 335 K HN 0.350 nan 8.250 nan 0.000 0.440 336 I N 1.294 121.836 120.570 -0.047 0.000 2.163 336 I HA -0.326 3.843 4.170 -0.001 0.000 0.243 336 I C 2.275 178.375 176.117 -0.029 0.000 1.085 336 I CA 1.354 62.633 61.300 -0.036 0.000 1.347 336 I CB -0.336 37.640 38.000 -0.039 0.000 1.044 336 I HN 0.138 nan 8.210 nan 0.000 0.408 337 L N 0.078 121.282 121.223 -0.032 0.000 2.046 337 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 337 L C 2.720 179.578 176.870 -0.020 0.000 1.077 337 L CA 1.440 56.266 54.840 -0.023 0.000 0.747 337 L CB -0.547 41.498 42.059 -0.023 0.000 0.896 337 L HN 0.149 nan 8.230 nan 0.000 0.432 338 R N -0.080 120.405 120.500 -0.025 0.000 2.152 338 R HA -0.142 4.197 4.340 -0.001 0.000 0.232 338 R C 1.893 178.183 176.300 -0.017 0.000 1.117 338 R CA 1.092 57.179 56.100 -0.022 0.000 0.981 338 R CB -0.147 30.137 30.300 -0.027 0.000 0.870 338 R HN 0.454 nan 8.270 nan 0.000 0.451 339 E N -0.099 120.090 120.200 -0.018 0.000 2.442 339 E HA 0.029 4.379 4.350 -0.001 0.000 0.195 339 E C -0.048 176.545 176.600 -0.011 0.000 1.030 339 E CA 0.209 56.600 56.400 -0.015 0.000 0.869 339 E CB 0.324 30.014 29.700 -0.017 0.000 0.857 339 E HN 0.243 nan 8.360 nan 0.000 0.505 340 N N 1.127 119.821 118.700 -0.010 0.000 2.813 340 N HA 0.114 4.853 4.740 -0.001 0.000 0.282 340 N C -2.341 173.167 175.510 -0.004 0.000 1.748 340 N CA -1.003 52.043 53.050 -0.007 0.000 0.860 340 N CB 1.326 39.809 38.487 -0.006 0.000 1.204 340 N HN 0.008 nan 8.380 nan 0.000 0.490 341 P HA -0.145 nan 4.420 nan 0.000 0.228 341 P C 1.677 178.979 177.300 0.003 0.000 1.151 341 P CA 0.919 64.019 63.100 -0.000 0.000 0.770 341 P CB 0.272 31.973 31.700 0.001 0.000 0.786 342 Q N -0.394 119.407 119.800 0.002 0.000 2.364 342 Q HA -0.069 4.270 4.340 -0.001 0.000 0.209 342 Q C 1.557 177.561 176.000 0.006 0.000 0.977 342 Q CA 1.239 57.044 55.803 0.004 0.000 0.885 342 Q CB -1.485 27.254 28.738 0.003 0.000 0.941 342 Q HN 0.143 nan 8.270 nan 0.000 0.464 343 V N 1.643 121.560 119.914 0.005 0.000 2.626 343 V HA -0.213 3.906 4.120 -0.001 0.000 0.252 343 V C 2.494 178.596 176.094 0.013 0.000 1.067 343 V CA 1.860 64.165 62.300 0.009 0.000 1.081 343 V CB -0.588 31.239 31.823 0.007 0.000 0.686 343 V HN 0.355 nan 8.190 nan 0.000 0.468 344 R N 0.058 120.565 120.500 0.011 0.000 2.070 344 R HA -0.194 4.145 4.340 -0.001 0.000 0.233 344 R C 2.370 178.683 176.300 0.021 0.000 1.137 344 R CA 1.792 57.900 56.100 0.014 0.000 0.945 344 R CB -0.357 29.950 30.300 0.013 0.000 0.845 344 R HN 0.550 nan 8.270 nan 0.000 0.430 345 E N 1.104 121.314 120.200 0.018 0.000 2.085 345 E HA -0.225 4.124 4.350 -0.001 0.000 0.194 345 E C 1.982 178.592 176.600 0.017 0.000 0.994 345 E CA 1.278 57.688 56.400 0.018 0.000 0.801 345 E CB 0.124 29.831 29.700 0.013 0.000 0.743 345 E HN 0.158 nan 8.360 nan 0.000 0.453 346 K N -0.063 120.346 120.400 0.015 0.000 2.032 346 K HA -0.158 4.161 4.320 -0.001 0.000 0.209 346 K C 1.997 178.608 176.600 0.019 0.000 1.048 346 K CA 1.583 57.876 56.287 0.010 0.000 0.927 346 K CB 0.039 32.544 32.500 0.008 0.000 0.712 346 K HN 0.051 nan 8.250 nan 0.000 0.441 347 V N 0.531 120.471 119.914 0.044 0.000 2.548 347 V HA -0.168 3.951 4.120 -0.001 0.000 0.249 347 V C 2.212 178.400 176.094 0.157 0.000 1.055 347 V CA 1.104 63.464 62.300 0.100 0.000 1.065 347 V CB -0.027 31.871 31.823 0.125 0.000 0.681 347 V HN 0.117 nan 8.190 nan 0.000 0.462 348 V N 0.644 120.610 119.914 0.087 0.000 2.343 348 V HA -0.245 3.875 4.120 -0.001 0.000 0.247 348 V C 2.757 178.880 176.094 0.048 0.000 1.051 348 V CA 1.974 64.315 62.300 0.068 0.000 1.036 348 V CB -1.052 30.791 31.823 0.034 0.000 0.654 348 V HN 0.557 nan 8.190 nan 0.000 0.451 349 A N 0.037 122.870 122.820 0.021 0.000 1.908 349 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 349 A C 2.169 179.723 177.584 -0.049 0.000 1.181 349 A CA 1.956 53.988 52.037 -0.008 0.000 0.627 349 A CB -0.568 18.424 19.000 -0.012 0.000 0.818 349 A HN 0.510 nan 8.150 nan 0.000 0.445 350 I N -1.753 118.760 120.570 -0.094 0.000 2.113 350 I HA -0.300 3.870 4.170 -0.001 0.000 0.242 350 I C 1.791 177.682 176.117 -0.376 0.000 1.064 350 I CA 1.693 62.822 61.300 -0.285 0.000 1.320 350 I CB -0.392 37.329 38.000 -0.464 0.000 1.028 350 I HN 0.348 nan 8.210 nan 0.000 0.406 351 F N 0.250 120.124 119.950 -0.127 0.000 2.765 351 F HA 0.242 4.768 4.527 -0.001 0.000 0.302 351 F C 2.126 177.815 175.800 -0.185 0.000 1.111 351 F CA 0.287 58.167 58.000 -0.201 0.000 1.359 351 F CB -0.383 38.317 39.000 -0.499 0.000 1.097 351 F HN -0.064 nan 8.300 nan 0.000 0.577 352 A N -0.331 122.496 122.820 0.012 0.000 2.209 352 A HA -0.016 4.303 4.320 -0.001 0.000 0.212 352 A C 0.975 178.586 177.584 0.045 0.000 1.158 352 A CA 0.605 52.658 52.037 0.026 0.000 0.742 352 A CB -0.437 18.571 19.000 0.014 0.000 0.790 352 A HN 0.440 nan 8.150 nan 0.000 0.472 361 D N 0.801 121.213 120.400 0.019 0.000 2.340 361 D HA 0.023 4.662 4.640 -0.001 0.000 0.220 361 D C 0.338 176.658 176.300 0.033 0.000 1.039 361 D CA 0.027 54.042 54.000 0.024 0.000 0.866 361 D CB -0.759 40.050 40.800 0.016 0.000 0.913 361 D HN 0.624 nan 8.370 nan 0.000 0.523 362 N N 0.386 119.103 118.700 0.028 0.000 2.405 362 N HA 0.031 4.771 4.740 -0.001 0.000 0.260 362 N C 1.138 176.689 175.510 0.068 0.000 1.152 362 N CA -0.317 52.757 53.050 0.040 0.000 0.948 362 N CB 1.280 39.774 38.487 0.011 0.000 1.111 362 N HN -0.138 nan 8.380 nan 0.000 0.485 363 V N 3.885 123.854 119.914 0.091 0.000 2.469 363 V HA -0.228 3.892 4.120 -0.001 0.000 0.251 363 V C 1.142 177.349 176.094 0.188 0.000 1.064 363 V CA 1.893 64.267 62.300 0.124 0.000 1.066 363 V CB -0.381 31.500 31.823 0.096 0.000 0.667 363 V HN 0.755 nan 8.190 nan 0.000 0.461 364 D N 0.503 120.989 120.400 0.144 0.000 2.265 364 D HA -0.083 4.556 4.640 -0.001 0.000 0.208 364 D C 1.790 178.173 176.300 0.140 0.000 0.977 364 D CA 1.482 55.584 54.000 0.170 0.000 0.871 364 D CB -0.140 40.709 40.800 0.080 0.000 0.925 364 D HN 0.584 nan 8.370 nan 0.000 0.485 365 A N -0.154 122.712 122.820 0.077 0.000 2.345 365 A HA 0.075 4.394 4.320 -0.001 0.000 0.225 365 A C 1.365 178.950 177.584 0.001 0.000 1.243 365 A CA -0.028 52.029 52.037 0.034 0.000 0.875 365 A CB 0.100 19.114 19.000 0.023 0.000 0.929 365 A HN 0.088 nan 8.150 nan 0.000 0.502 366 Q N -0.619 119.176 119.800 -0.008 0.000 2.188 366 Q HA 0.186 4.526 4.340 -0.001 0.000 0.212 366 Q C 1.282 177.090 176.000 -0.320 0.000 0.846 366 Q CA -0.382 55.385 55.803 -0.061 0.000 0.989 366 Q CB 0.250 29.021 28.738 0.055 0.000 1.114 366 Q HN 0.527 nan 8.270 nan 0.000 0.488 367 L N -0.115 120.647 121.223 -0.768 0.000 2.021 367 L HA -0.226 4.114 4.340 -0.001 0.000 0.215 367 L C 1.101 177.478 176.870 -0.821 0.000 1.074 367 L CA 2.079 56.159 54.840 -1.267 0.000 0.760 367 L CB -0.278 40.949 42.059 -1.387 0.000 0.889 367 L HN 0.247 nan 8.230 nan 0.000 0.433 368 Y N -0.670 119.455 120.300 -0.291 0.000 2.462 368 Y HA 0.146 4.696 4.550 -0.001 0.000 0.293 368 Y C 1.720 177.484 175.900 -0.228 0.000 1.195 368 Y CA -0.055 57.899 58.100 -0.243 0.000 1.276 368 Y CB -0.943 37.422 38.460 -0.159 0.000 1.082 368 Y HN 0.295 nan 8.280 nan 0.000 0.514 369 N N 0.603 119.221 118.700 -0.138 0.000 2.571 369 N HA 0.156 4.896 4.740 -0.001 0.000 0.189 369 N C 0.672 176.085 175.510 -0.162 0.000 1.154 369 N CA 0.967 53.952 53.050 -0.109 0.000 0.907 369 N CB 0.230 38.668 38.487 -0.082 0.000 0.977 369 N HN 0.420 nan 8.380 nan 0.000 0.449 370 G N -1.104 107.529 108.800 -0.278 0.000 2.333 370 G HA2 0.085 4.045 3.960 -0.001 0.000 0.330 370 G HA3 0.085 4.045 3.960 -0.001 0.000 0.330 370 G C -1.368 173.263 174.900 -0.448 0.000 1.465 370 G CA -1.124 43.794 45.100 -0.305 0.000 0.996 370 G HN -0.036 nan 8.290 nan 0.000 0.655 371 F N 0.319 120.201 119.950 -0.114 0.000 2.429 371 F HA 0.599 5.125 4.527 -0.001 0.000 0.348 371 F C 1.027 176.764 175.800 -0.106 0.000 1.109 371 F CA -0.045 57.912 58.000 -0.071 0.000 1.232 371 F CB 0.519 39.527 39.000 0.013 0.000 1.157 371 F HN 0.314 nan 8.300 nan 0.000 0.564 372 F N 0.981 121.113 119.950 0.304 0.000 2.496 372 F HA 0.201 4.728 4.527 -0.001 0.000 0.344 372 F C 1.040 176.960 175.800 0.201 0.000 1.155 372 F CA -0.463 57.667 58.000 0.216 0.000 1.302 372 F CB 0.322 39.437 39.000 0.193 0.000 1.159 372 F HN 0.502 nan 8.300 nan 0.000 0.595 373 S N 0.594 116.505 115.700 0.350 0.000 2.606 373 S HA 0.040 4.510 4.470 -0.001 0.000 0.257 373 S C 0.760 175.488 174.600 0.213 0.000 1.327 373 S CA -0.587 57.751 58.200 0.230 0.000 0.984 373 S CB 0.652 63.960 63.200 0.180 0.000 0.941 373 S HN 0.597 nan 8.310 nan 0.000 0.576 374 D N 1.094 121.581 120.400 0.146 0.000 2.117 374 D HA 0.004 4.644 4.640 -0.001 0.000 0.197 374 D C 2.222 178.587 176.300 0.109 0.000 0.987 374 D CA 1.792 55.863 54.000 0.119 0.000 0.829 374 D CB -0.907 39.942 40.800 0.082 0.000 0.961 374 D HN 0.677 nan 8.370 nan 0.000 0.460 375 A N 0.995 123.876 122.820 0.103 0.000 1.877 375 A HA -0.182 4.137 4.320 -0.001 0.000 0.216 375 A C 1.838 179.486 177.584 0.106 0.000 1.186 375 A CA 1.679 53.766 52.037 0.083 0.000 0.620 375 A CB -0.436 18.607 19.000 0.070 0.000 0.822 375 A HN 0.026 nan 8.150 nan 0.000 0.443 376 D N -0.810 119.688 120.400 0.163 0.000 2.144 376 D HA -0.139 4.500 4.640 -0.001 0.000 0.199 376 D C 2.100 178.477 176.300 0.128 0.000 0.984 376 D CA 1.416 55.539 54.000 0.206 0.000 0.834 376 D CB -0.249 40.727 40.800 0.293 0.000 0.955 376 D HN 0.350 nan 8.370 nan 0.000 0.465 377 R N 1.206 121.781 120.500 0.124 0.000 2.096 377 R HA 0.007 4.346 4.340 -0.001 0.000 0.235 377 R C 1.922 178.258 176.300 0.060 0.000 1.127 377 R CA 1.640 57.787 56.100 0.078 0.000 0.968 377 R CB -0.784 29.600 30.300 0.140 0.000 0.861 377 R HN 0.066 nan 8.270 nan 0.000 0.440 378 A N 0.321 123.180 122.820 0.065 0.000 1.883 378 A HA -0.074 4.245 4.320 -0.001 0.000 0.217 378 A C 2.395 179.993 177.584 0.024 0.000 1.186 378 A CA 1.949 54.008 52.037 0.036 0.000 0.624 378 A CB -1.144 17.873 19.000 0.029 0.000 0.822 378 A HN 0.488 nan 8.150 nan 0.000 0.444 379 A N -0.641 122.209 122.820 0.050 0.000 1.902 379 A HA -0.100 4.219 4.320 -0.001 0.000 0.217 379 A C 2.251 179.938 177.584 0.172 0.000 1.181 379 A CA 1.788 53.856 52.037 0.052 0.000 0.623 379 A CB -0.541 18.468 19.000 0.014 0.000 0.818 379 A HN 0.538 nan 8.150 nan 0.000 0.443 380 M N -0.969 118.746 119.600 0.192 0.000 2.229 380 M HA -0.125 4.354 4.480 -0.001 0.000 0.264 380 M C 2.199 178.506 176.300 0.012 0.000 1.063 380 M CA 1.784 57.185 55.300 0.168 0.000 1.114 380 M CB -0.263 32.381 32.600 0.074 0.000 1.387 380 M HN 0.435 nan 8.290 nan 0.000 0.420 381 K N 1.242 121.629 120.400 -0.022 0.000 2.097 381 K HA -0.099 4.220 4.320 -0.001 0.000 0.205 381 K C 1.655 178.192 176.600 -0.104 0.000 1.050 381 K CA 1.149 57.388 56.287 -0.081 0.000 0.938 381 K CB -0.046 32.427 32.500 -0.044 0.000 0.718 381 K HN 0.281 nan 8.250 nan 0.000 0.442 382 I N 0.409 120.933 120.570 -0.076 0.000 2.226 382 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 382 I C 2.107 178.141 176.117 -0.139 0.000 1.100 382 I CA 0.806 62.049 61.300 -0.094 0.000 1.374 382 I CB -0.167 37.782 38.000 -0.083 0.000 1.057 382 I HN -0.016 nan 8.210 nan 0.000 0.413 383 V N 0.853 120.660 119.914 -0.178 0.000 2.287 383 V HA -0.303 3.816 4.120 -0.001 0.000 0.248 383 V C 2.457 178.348 176.094 -0.339 0.000 1.053 383 V CA 1.898 63.998 62.300 -0.332 0.000 1.027 383 V CB -0.593 30.797 31.823 -0.722 0.000 0.646 383 V HN 0.372 nan 8.190 nan 0.000 0.447 384 L N 0.309 121.330 121.223 -0.336 0.000 2.079 384 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 384 L C 2.114 178.859 176.870 -0.208 0.000 1.081 384 L CA 2.019 56.670 54.840 -0.316 0.000 0.752 384 L CB -0.550 41.259 42.059 -0.416 0.000 0.896 384 L HN 0.421 nan 8.230 nan 0.000 0.433 385 E N -1.531 118.567 120.200 -0.169 0.000 2.476 385 E HA 0.098 4.448 4.350 -0.001 0.000 0.196 385 E C -0.081 176.454 176.600 -0.109 0.000 1.029 385 E CA -0.069 56.258 56.400 -0.121 0.000 0.896 385 E CB 0.210 29.851 29.700 -0.099 0.000 1.012 385 E HN 0.355 nan 8.360 nan 0.000 0.475 386 T N 1.418 115.896 114.554 -0.127 0.000 2.845 386 T HA 0.122 4.471 4.350 -0.001 0.000 0.288 386 T C -0.059 174.554 174.700 -0.145 0.000 0.980 386 T CA -0.502 61.523 62.100 -0.125 0.000 1.071 386 T CB 1.366 70.158 68.868 -0.128 0.000 0.941 386 T HN -0.015 nan 8.240 nan 0.000 0.487 387 E N 4.194 124.307 120.200 -0.145 0.000 2.480 387 E HA 0.068 4.417 4.350 -0.001 0.000 0.258 387 E C -1.636 174.798 176.600 -0.277 0.000 0.984 387 E CA -1.568 54.722 56.400 -0.184 0.000 0.930 387 E CB 0.697 30.312 29.700 -0.142 0.000 0.936 387 E HN 0.211 nan 8.360 nan 0.000 0.466 388 P HA -0.244 nan 4.420 nan 0.000 0.217 388 P C 0.533 177.562 177.300 -0.452 0.000 1.148 388 P CA 1.709 64.358 63.100 -0.752 0.000 0.834 388 P CB -0.011 30.791 31.700 -1.496 0.000 0.783 389 R N -1.408 118.906 120.500 -0.310 0.000 2.235 389 R HA 0.047 4.386 4.340 -0.001 0.000 0.213 389 R C 1.140 177.355 176.300 -0.141 0.000 1.059 389 R CA 1.081 57.067 56.100 -0.190 0.000 0.997 389 R CB -0.853 29.362 30.300 -0.142 0.000 0.884 389 R HN 0.157 nan 8.270 nan 0.000 0.462 390 N N 0.598 119.209 118.700 -0.150 0.000 2.254 390 N HA 0.125 4.865 4.740 -0.001 0.000 0.190 390 N C 1.510 176.960 175.510 -0.101 0.000 1.107 390 N CA 0.170 53.154 53.050 -0.109 0.000 0.869 390 N CB 0.300 38.726 38.487 -0.102 0.000 0.983 390 N HN 0.209 nan 8.380 nan 0.000 0.487 391 L N 1.093 122.243 121.223 -0.121 0.000 2.083 391 L HA -0.089 4.250 4.340 -0.001 0.000 0.209 391 L C -0.556 176.288 176.870 -0.044 0.000 1.083 391 L CA 1.428 56.216 54.840 -0.087 0.000 0.752 391 L CB -1.489 40.514 42.059 -0.092 0.000 0.899 391 L HN 0.038 nan 8.230 nan 0.000 0.433 392 P HA -0.149 nan 4.420 nan 0.000 0.219 392 P C 0.951 178.245 177.300 -0.010 0.000 1.146 392 P CA 1.450 64.544 63.100 -0.010 0.000 0.808 392 P CB 0.059 31.752 31.700 -0.013 0.000 0.779 393 A N -1.700 121.103 122.820 -0.028 0.000 2.308 393 A HA 0.153 4.473 4.320 -0.001 0.000 0.217 393 A C 0.673 178.235 177.584 -0.035 0.000 1.216 393 A CA -0.229 51.791 52.037 -0.028 0.000 0.864 393 A CB -0.802 18.178 19.000 -0.033 0.000 0.902 393 A HN 0.109 nan 8.150 nan 0.000 0.499 394 L N 1.756 122.955 121.223 -0.040 0.000 2.455 394 L HA 0.217 4.556 4.340 -0.001 0.000 0.272 394 L C -0.132 176.706 176.870 -0.055 0.000 1.174 394 L CA 0.237 55.045 54.840 -0.053 0.000 0.869 394 L CB 0.581 42.605 42.059 -0.058 0.000 1.130 394 L HN 0.370 nan 8.230 nan 0.000 0.474 395 D N 4.926 125.280 120.400 -0.077 0.000 2.892 395 D HA 0.140 4.780 4.640 -0.001 0.000 0.291 395 D C 0.148 176.369 176.300 -0.132 0.000 1.341 395 D CA -0.202 53.748 54.000 -0.083 0.000 0.844 395 D CB -0.558 40.205 40.800 -0.063 0.000 1.093 395 D HN 0.502 nan 8.370 nan 0.000 0.480 396 I N -2.961 117.483 120.570 -0.209 0.000 3.062 396 I HA 0.636 4.805 4.170 -0.001 0.000 0.318 396 I C -0.535 175.291 176.117 -0.486 0.000 1.026 396 I CA -0.723 60.376 61.300 -0.335 0.000 1.096 396 I CB 1.788 39.542 38.000 -0.410 0.000 1.348 396 I HN -0.316 nan 8.210 nan 0.000 0.543 397 T N 2.686 116.932 114.554 -0.513 0.000 2.807 397 T HA 0.635 4.985 4.350 -0.001 0.000 0.279 397 T C -0.889 173.501 174.700 -0.515 0.000 0.993 397 T CA -0.112 61.742 62.100 -0.410 0.000 0.970 397 T CB 0.909 69.674 68.868 -0.171 0.000 0.950 397 T HN 0.324 nan 8.240 nan 0.000 0.441 398 F N 1.154 121.124 119.950 0.033 0.000 2.546 398 F HA 0.539 5.065 4.527 -0.001 0.000 0.320 398 F C 0.874 176.715 175.800 0.069 0.000 1.076 398 F CA -1.053 56.979 58.000 0.054 0.000 0.928 398 F CB 1.366 40.404 39.000 0.064 0.000 1.189 398 F HN 0.290 nan 8.300 nan 0.000 0.465 399 V N -0.853 119.230 119.914 0.281 0.000 2.690 399 V HA -0.028 4.092 4.120 -0.001 0.000 0.240 399 V C 0.551 176.769 176.094 0.206 0.000 1.078 399 V CA 0.438 62.857 62.300 0.198 0.000 1.102 399 V CB -0.206 31.708 31.823 0.152 0.000 0.800 399 V HN 0.745 nan 8.190 nan 0.000 0.479 400 D N 1.326 121.879 120.400 0.256 0.000 2.493 400 D HA -0.046 4.594 4.640 -0.001 0.000 0.240 400 D C 0.905 177.324 176.300 0.199 0.000 1.142 400 D CA 0.137 54.285 54.000 0.247 0.000 0.872 400 D CB 1.045 42.092 40.800 0.413 0.000 1.173 400 D HN 0.092 nan 8.370 nan 0.000 0.467 401 K N 3.658 124.144 120.400 0.143 0.000 2.283 401 K HA -0.090 4.230 4.320 -0.001 0.000 0.202 401 K C 1.825 178.487 176.600 0.102 0.000 1.048 401 K CA 0.509 56.862 56.287 0.109 0.000 0.948 401 K CB 0.124 32.673 32.500 0.081 0.000 0.742 401 K HN 0.457 nan 8.250 nan 0.000 0.458 402 R N 0.439 121.019 120.500 0.134 0.000 2.148 402 R HA 0.054 4.394 4.340 -0.001 0.000 0.223 402 R C 2.325 178.654 176.300 0.050 0.000 1.088 402 R CA 0.690 56.866 56.100 0.126 0.000 0.985 402 R CB -0.273 30.157 30.300 0.216 0.000 0.880 402 R HN 0.137 nan 8.270 nan 0.000 0.451 403 I N 0.746 121.325 120.570 0.016 0.000 2.226 403 I HA -0.251 3.918 4.170 -0.001 0.000 0.245 403 I C 2.682 178.667 176.117 -0.221 0.000 1.100 403 I CA 1.081 62.241 61.300 -0.233 0.000 1.374 403 I CB -0.335 37.366 38.000 -0.498 0.000 1.057 403 I HN 0.166 nan 8.210 nan 0.000 0.413 404 E N 2.017 122.168 120.200 -0.082 0.000 2.097 404 E HA -0.257 4.092 4.350 -0.001 0.000 0.196 404 E C 2.043 178.689 176.600 0.077 0.000 1.000 404 E CA 1.729 58.142 56.400 0.023 0.000 0.804 404 E CB 0.040 29.786 29.700 0.076 0.000 0.740 404 E HN 0.517 nan 8.360 nan 0.000 0.454 405 K N 0.042 120.482 120.400 0.067 0.000 2.062 405 K HA -0.019 4.301 4.320 -0.001 0.000 0.205 405 K C 2.540 179.206 176.600 0.109 0.000 1.051 405 K CA 0.817 57.175 56.287 0.117 0.000 0.941 405 K CB -0.177 32.376 32.500 0.089 0.000 0.719 405 K HN 0.106 nan 8.250 nan 0.000 0.440 406 L N 0.899 122.119 121.223 -0.006 0.000 2.042 406 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 406 L C 2.463 179.409 176.870 0.127 0.000 1.076 406 L CA 0.764 55.540 54.840 -0.106 0.000 0.749 406 L CB -0.395 41.393 42.059 -0.451 0.000 0.893 406 L HN 0.178 nan 8.230 nan 0.000 0.432 407 L N -0.870 120.489 121.223 0.227 0.000 2.072 407 L HA -0.203 4.136 4.340 -0.001 0.000 0.205 407 L C 2.312 179.312 176.870 0.217 0.000 1.079 407 L CA 1.551 56.551 54.840 0.267 0.000 0.752 407 L CB -0.685 41.414 42.059 0.067 0.000 0.906 407 L HN 0.109 nan 8.230 nan 0.000 0.436 408 F N 0.739 120.732 119.950 0.072 0.000 2.069 408 F HA -0.274 4.252 4.527 -0.001 0.000 0.298 408 F C 2.267 178.067 175.800 0.000 0.000 1.113 408 F CA 2.035 60.058 58.000 0.038 0.000 1.214 408 F CB -0.567 38.455 39.000 0.037 0.000 0.978 408 F HN 0.241 nan 8.300 nan 0.000 0.474 409 N N -0.540 118.107 118.700 -0.089 0.000 2.120 409 N HA -0.250 4.490 4.740 -0.001 0.000 0.188 409 N C 1.786 177.150 175.510 -0.244 0.000 1.024 409 N CA 1.643 54.566 53.050 -0.212 0.000 0.852 409 N CB -1.072 37.415 38.487 0.000 0.000 1.003 409 N HN 0.525 nan 8.380 nan 0.000 0.424 410 Y N 1.893 122.091 120.300 -0.170 0.000 2.145 410 Y HA -0.116 4.433 4.550 -0.001 0.000 0.286 410 Y C 2.242 178.001 175.900 -0.235 0.000 1.145 410 Y CA 1.633 59.662 58.100 -0.118 0.000 1.148 410 Y CB -0.089 38.462 38.460 0.151 0.000 0.981 410 Y HN -0.042 nan 8.280 nan 0.000 0.507 411 R N -0.160 120.221 120.500 -0.198 0.000 2.075 411 R HA -0.081 4.259 4.340 -0.001 0.000 0.232 411 R C 2.537 178.532 176.300 -0.508 0.000 1.126 411 R CA 1.139 57.093 56.100 -0.243 0.000 0.963 411 R CB -0.663 29.578 30.300 -0.099 0.000 0.858 411 R HN 0.431 nan 8.270 nan 0.000 0.435 412 A N 1.336 123.661 122.820 -0.825 0.000 1.898 412 A HA -0.143 4.176 4.320 -0.001 0.000 0.216 412 A C 2.111 178.962 177.584 -1.222 0.000 1.181 412 A CA 1.104 52.430 52.037 -1.185 0.000 0.620 412 A CB -0.280 17.636 19.000 -1.807 0.000 0.819 412 A HN 0.203 nan 8.150 nan 0.000 0.442 413 R N -0.517 119.371 120.500 -1.021 0.000 2.075 413 R HA -0.070 4.269 4.340 -0.001 0.000 0.232 413 R C 1.801 177.751 176.300 -0.584 0.000 1.126 413 R CA 1.776 57.474 56.100 -0.670 0.000 0.963 413 R CB -0.348 29.727 30.300 -0.374 0.000 0.858 413 R HN 0.648 nan 8.270 nan 0.000 0.435 414 N N -0.908 117.312 118.700 -0.799 0.000 2.402 414 N HA 0.016 4.755 4.740 -0.001 0.000 0.174 414 N C -0.300 174.538 175.510 -1.120 0.000 1.027 414 N CA 0.603 52.974 53.050 -1.132 0.000 0.891 414 N CB 0.429 37.781 38.487 -1.891 0.000 1.016 414 N HN 0.017 nan 8.380 nan 0.000 0.439 415 F N -0.177 119.548 119.950 -0.374 0.000 2.577 415 F HA 0.384 4.911 4.527 -0.001 0.000 0.342 415 F C -1.976 173.657 175.800 -0.278 0.000 1.479 415 F CA -2.172 55.654 58.000 -0.290 0.000 1.110 415 F CB 1.144 39.971 39.000 -0.288 0.000 1.306 415 F HN -0.100 nan 8.300 nan 0.000 0.554 416 P HA -0.056 nan 4.420 nan 0.000 0.223 416 P C 1.704 178.942 177.300 -0.103 0.000 1.151 416 P CA 1.097 64.062 63.100 -0.224 0.000 0.787 416 P CB 0.288 31.837 31.700 -0.252 0.000 0.788 417 G N 0.277 109.048 108.800 -0.048 0.000 2.559 417 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.216 417 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.216 417 G C 1.357 176.247 174.900 -0.017 0.000 1.126 417 G CA 1.245 46.333 45.100 -0.020 0.000 0.778 417 G HN 0.432 nan 8.290 nan 0.000 0.543 418 T N -1.445 113.095 114.554 -0.023 0.000 3.086 418 T HA 0.383 4.733 4.350 -0.001 0.000 0.250 418 T C 0.868 175.558 174.700 -0.016 0.000 1.074 418 T CA -0.419 61.665 62.100 -0.027 0.000 0.988 418 T CB -0.067 68.773 68.868 -0.047 0.000 0.988 418 T HN 0.045 nan 8.240 nan 0.000 0.530 419 L N 3.437 124.647 121.223 -0.021 0.000 2.380 419 L HA 0.401 4.740 4.340 -0.001 0.000 0.273 419 L C 0.509 177.407 176.870 0.047 0.000 1.138 419 L CA -0.891 53.954 54.840 0.008 0.000 0.832 419 L CB 0.482 42.529 42.059 -0.021 0.000 1.124 419 L HN 0.377 nan 8.230 nan 0.000 0.454 420 D N 1.161 121.607 120.400 0.076 0.000 2.451 420 D HA -0.063 4.576 4.640 -0.001 0.000 0.259 420 D C 0.827 177.211 176.300 0.141 0.000 1.201 420 D CA -0.278 53.786 54.000 0.106 0.000 1.028 420 D CB 0.464 41.324 40.800 0.099 0.000 1.095 420 D HN 0.468 nan 8.370 nan 0.000 0.539 421 Y N 0.346 120.678 120.300 0.052 0.000 2.128 421 Y HA -0.161 4.389 4.550 -0.001 0.000 0.284 421 Y C 2.472 178.415 175.900 0.072 0.000 1.154 421 Y CA 2.826 60.961 58.100 0.057 0.000 1.149 421 Y CB -0.708 37.778 38.460 0.042 0.000 0.976 421 Y HN 0.469 nan 8.280 nan 0.000 0.505 422 A N 0.195 123.077 122.820 0.102 0.000 1.908 422 A HA -0.241 4.078 4.320 -0.001 0.000 0.218 422 A C 2.074 179.653 177.584 -0.009 0.000 1.181 422 A CA 2.060 54.105 52.037 0.014 0.000 0.627 422 A CB -0.788 18.259 19.000 0.079 0.000 0.818 422 A HN 0.664 nan 8.150 nan 0.000 0.445 423 E N -0.445 119.801 120.200 0.076 0.000 2.077 423 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 423 E C 2.304 179.049 176.600 0.241 0.000 0.989 423 E CA 1.381 57.908 56.400 0.212 0.000 0.800 423 E CB -0.215 29.650 29.700 0.275 0.000 0.746 423 E HN 0.749 nan 8.360 nan 0.000 0.452 424 Q N 0.287 120.144 119.800 0.094 0.000 2.096 424 Q HA -0.204 4.136 4.340 -0.001 0.000 0.204 424 Q C 2.264 178.300 176.000 0.061 0.000 0.982 424 Q CA 1.050 56.904 55.803 0.086 0.000 0.850 424 Q CB -0.013 28.721 28.738 -0.007 0.000 0.901 424 Q HN 0.213 nan 8.270 nan 0.000 0.422 425 Q N 0.358 120.080 119.800 -0.129 0.000 2.119 425 Q HA -0.140 4.200 4.340 -0.001 0.000 0.201 425 Q C 1.942 177.943 176.000 0.002 0.000 0.972 425 Q CA 1.189 56.912 55.803 -0.133 0.000 0.847 425 Q CB -0.315 28.261 28.738 -0.270 0.000 0.903 425 Q HN 0.335 nan 8.270 nan 0.000 0.433 426 R N -0.109 120.420 120.500 0.048 0.000 2.081 426 R HA -0.149 4.191 4.340 -0.001 0.000 0.235 426 R C 2.066 178.532 176.300 0.277 0.000 1.131 426 R CA 1.358 57.491 56.100 0.056 0.000 0.960 426 R CB -0.360 29.835 30.300 -0.175 0.000 0.856 426 R HN 0.432 nan 8.270 nan 0.000 0.436 427 W N 0.859 122.320 121.300 0.268 0.000 2.388 427 W HA -0.215 4.445 4.660 -0.001 0.000 0.294 427 W C 1.598 178.215 176.519 0.163 0.000 1.212 427 W CA 0.655 58.158 57.345 0.263 0.000 1.271 427 W CB -0.133 29.413 29.460 0.143 0.000 1.126 427 W HN 0.217 nan 8.180 nan 0.000 0.535 428 L N 1.777 123.068 121.223 0.113 0.000 2.046 428 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 428 L C 2.365 179.184 176.870 -0.085 0.000 1.077 428 L CA 2.557 57.382 54.840 -0.026 0.000 0.747 428 L CB -1.143 40.924 42.059 0.013 0.000 0.896 428 L HN -0.096 nan 8.230 nan 0.000 0.432 429 E N -1.228 118.948 120.200 -0.040 0.000 2.077 429 E HA -0.297 4.052 4.350 -0.001 0.000 0.193 429 E C 2.224 178.755 176.600 -0.116 0.000 0.989 429 E CA 1.637 58.000 56.400 -0.062 0.000 0.800 429 E CB -0.292 29.389 29.700 -0.033 0.000 0.746 429 E HN 0.708 nan 8.360 nan 0.000 0.452 430 H N 0.122 119.064 119.070 -0.213 0.000 2.319 430 H HA -0.051 4.504 4.556 -0.001 0.000 0.297 430 H C 1.997 177.029 175.328 -0.494 0.000 1.097 430 H CA 2.420 58.274 56.048 -0.323 0.000 1.285 430 H CB 0.054 29.609 29.762 -0.345 0.000 1.368 430 H HN 0.049 nan 8.280 nan 0.000 0.495 431 R N -0.125 120.003 120.500 -0.620 0.000 2.092 431 R HA -0.028 4.311 4.340 -0.001 0.000 0.231 431 R C 2.640 178.674 176.300 -0.443 0.000 1.119 431 R CA 1.332 57.036 56.100 -0.660 0.000 0.970 431 R CB -0.112 29.957 30.300 -0.386 0.000 0.864 431 R HN 0.362 nan 8.270 nan 0.000 0.440 432 R N 0.591 120.941 120.500 -0.251 0.000 2.120 432 R HA -0.142 4.197 4.340 -0.001 0.000 0.234 432 R C 2.178 178.359 176.300 -0.198 0.000 1.123 432 R CA 1.371 57.388 56.100 -0.138 0.000 0.975 432 R CB -0.071 30.175 30.300 -0.090 0.000 0.866 432 R HN 0.359 nan 8.270 nan 0.000 0.446 433 Q N -0.306 119.316 119.800 -0.298 0.000 2.311 433 Q HA -0.040 4.300 4.340 -0.001 0.000 0.203 433 Q C 2.021 177.784 176.000 -0.395 0.000 0.954 433 Q CA 0.791 56.424 55.803 -0.284 0.000 0.885 433 Q CB 0.406 28.995 28.738 -0.248 0.000 0.963 433 Q HN 0.168 nan 8.270 nan 0.000 0.471 434 V N -0.060 119.466 119.914 -0.648 0.000 2.346 434 V HA -0.135 3.984 4.120 -0.001 0.000 0.244 434 V C 0.713 176.391 176.094 -0.694 0.000 1.037 434 V CA 1.173 62.977 62.300 -0.826 0.000 1.029 434 V CB -0.192 30.867 31.823 -1.273 0.000 0.663 434 V HN 0.213 nan 8.190 nan 0.000 0.454 435 F N 2.434 122.195 119.950 -0.315 0.000 2.669 435 F HA 0.262 4.788 4.527 -0.001 0.000 0.353 435 F C 1.254 177.024 175.800 -0.051 0.000 1.192 435 F CA -0.989 56.926 58.000 -0.143 0.000 1.317 435 F CB -1.461 37.462 39.000 -0.128 0.000 1.652 435 F HN 0.115 nan 8.300 nan 0.000 0.608 436 T N -1.692 112.925 114.554 0.105 0.000 2.860 436 T HA 0.144 4.494 4.350 -0.001 0.000 0.299 436 T C -1.529 173.250 174.700 0.132 0.000 1.045 436 T CA -1.511 60.637 62.100 0.081 0.000 1.071 436 T CB 1.314 70.212 68.868 0.050 0.000 0.985 436 T HN 0.051 nan 8.240 nan 0.000 0.537 437 P HA -0.131 nan 4.420 nan 0.000 0.216 437 P C 1.508 178.848 177.300 0.067 0.000 1.154 437 P CA 1.159 64.292 63.100 0.055 0.000 0.865 437 P CB 0.077 31.796 31.700 0.032 0.000 0.789 438 E N -1.501 118.748 120.200 0.082 0.000 2.110 438 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 438 E C 1.737 178.405 176.600 0.114 0.000 0.988 438 E CA 0.976 57.425 56.400 0.082 0.000 0.804 438 E CB -0.992 28.759 29.700 0.084 0.000 0.745 438 E HN 0.135 nan 8.360 nan 0.000 0.458 439 F N 0.079 120.046 119.950 0.028 0.000 2.113 439 F HA -0.100 4.426 4.527 -0.001 0.000 0.297 439 F C 1.971 177.807 175.800 0.060 0.000 1.103 439 F CA 1.332 59.363 58.000 0.052 0.000 1.248 439 F CB -0.442 38.589 39.000 0.051 0.000 0.999 439 F HN 0.148 nan 8.300 nan 0.000 0.475 440 L N 0.343 121.577 121.223 0.017 0.000 2.046 440 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 440 L C 2.501 179.288 176.870 -0.138 0.000 1.077 440 L CA 1.781 56.545 54.840 -0.127 0.000 0.747 440 L CB -0.847 41.184 42.059 -0.047 0.000 0.896 440 L HN 0.245 nan 8.230 nan 0.000 0.432 441 Q N -0.272 119.487 119.800 -0.069 0.000 2.096 441 Q HA -0.134 4.205 4.340 -0.001 0.000 0.204 441 Q C 2.085 178.047 176.000 -0.064 0.000 0.982 441 Q CA 2.083 57.856 55.803 -0.050 0.000 0.850 441 Q CB -0.920 27.809 28.738 -0.015 0.000 0.901 441 Q HN 0.513 nan 8.270 nan 0.000 0.422 442 G N -1.218 107.530 108.800 -0.087 0.000 2.422 442 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.218 442 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.218 442 G C 1.282 176.094 174.900 -0.147 0.000 1.140 442 G CA 0.763 45.806 45.100 -0.095 0.000 0.775 442 G HN 0.464 nan 8.290 nan 0.000 0.545 443 Y N 1.679 121.749 120.300 -0.383 0.000 2.163 443 Y HA 0.089 4.638 4.550 -0.001 0.000 0.288 443 Y C 2.981 178.742 175.900 -0.232 0.000 1.136 443 Y CA 1.318 59.181 58.100 -0.394 0.000 1.147 443 Y CB -0.201 37.890 38.460 -0.616 0.000 0.987 443 Y HN 0.242 nan 8.280 nan 0.000 0.509 444 A N 0.069 122.844 122.820 -0.076 0.000 1.883 444 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 444 A C 1.907 179.540 177.584 0.081 0.000 1.186 444 A CA 2.127 54.138 52.037 -0.043 0.000 0.624 444 A CB -0.884 18.070 19.000 -0.077 0.000 0.822 444 A HN 0.499 nan 8.150 nan 0.000 0.444 445 D N -0.752 119.654 120.400 0.010 0.000 2.123 445 D HA -0.161 4.478 4.640 -0.001 0.000 0.196 445 D C 1.896 178.189 176.300 -0.012 0.000 0.992 445 D CA 1.545 55.554 54.000 0.014 0.000 0.833 445 D CB -0.348 40.447 40.800 -0.009 0.000 0.954 445 D HN 0.752 nan 8.370 nan 0.000 0.455 446 E N 0.210 120.360 120.200 -0.083 0.000 2.047 446 E HA -0.125 4.224 4.350 -0.001 0.000 0.191 446 E C 2.279 178.835 176.600 -0.074 0.000 0.987 446 E CA 0.514 56.848 56.400 -0.109 0.000 0.799 446 E CB -0.076 29.497 29.700 -0.211 0.000 0.752 446 E HN 0.202 nan 8.360 nan 0.000 0.449 447 L N 0.913 122.091 121.223 -0.075 0.000 2.046 447 L HA -0.243 4.097 4.340 -0.001 0.000 0.208 447 L C 3.002 179.929 176.870 0.096 0.000 1.077 447 L CA 1.853 56.720 54.840 0.045 0.000 0.747 447 L CB -0.701 41.480 42.059 0.202 0.000 0.896 447 L HN 0.364 nan 8.230 nan 0.000 0.432 448 Q N 0.020 119.893 119.800 0.120 0.000 2.119 448 Q HA -0.260 4.079 4.340 -0.001 0.000 0.201 448 Q C 2.278 178.287 176.000 0.015 0.000 0.972 448 Q CA 1.546 57.381 55.803 0.053 0.000 0.847 448 Q CB -0.220 28.558 28.738 0.067 0.000 0.903 448 Q HN 0.481 nan 8.270 nan 0.000 0.433 449 M N 0.327 119.934 119.600 0.011 0.000 2.117 449 M HA -0.113 4.366 4.480 -0.001 0.000 0.262 449 M C 2.000 178.294 176.300 -0.010 0.000 1.065 449 M CA 1.302 56.596 55.300 -0.010 0.000 1.114 449 M CB -0.004 32.586 32.600 -0.016 0.000 1.361 449 M HN 0.379 nan 8.290 nan 0.000 0.408 450 L N -1.149 120.090 121.223 0.026 0.000 2.156 450 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 450 L C 2.331 179.275 176.870 0.123 0.000 1.095 450 L CA 0.397 55.294 54.840 0.096 0.000 0.770 450 L CB -0.491 41.658 42.059 0.151 0.000 0.914 450 L HN 0.145 nan 8.230 nan 0.000 0.439 451 V N -0.391 119.565 119.914 0.070 0.000 2.626 451 V HA -0.254 3.866 4.120 -0.001 0.000 0.252 451 V C 2.289 178.395 176.094 0.020 0.000 1.067 451 V CA 1.623 63.955 62.300 0.053 0.000 1.081 451 V CB -0.022 31.805 31.823 0.007 0.000 0.686 451 V HN 0.526 nan 8.190 nan 0.000 0.468 452 Q N -0.879 118.915 119.800 -0.011 0.000 2.062 452 Q HA -0.210 4.129 4.340 -0.001 0.000 0.196 452 Q C 2.252 178.211 176.000 -0.068 0.000 0.967 452 Q CA 1.639 57.420 55.803 -0.037 0.000 0.832 452 Q CB -0.196 28.515 28.738 -0.044 0.000 0.899 452 Q HN 0.696 nan 8.270 nan 0.000 0.442 453 Q N 0.063 119.789 119.800 -0.123 0.000 2.096 453 Q HA -0.183 4.156 4.340 -0.001 0.000 0.204 453 Q C 0.390 176.166 176.000 -0.373 0.000 0.982 453 Q CA 1.349 56.978 55.803 -0.289 0.000 0.850 453 Q CB 0.151 28.634 28.738 -0.426 0.000 0.901 453 Q HN 0.398 nan 8.270 nan 0.000 0.422 454 Y N -0.818 119.475 120.300 -0.012 0.000 2.708 454 Y HA 0.384 4.934 4.550 -0.001 0.000 0.287 454 Y C 1.392 177.285 175.900 -0.012 0.000 1.145 454 Y CA -0.008 58.086 58.100 -0.009 0.000 1.249 454 Y CB -0.044 38.412 38.460 -0.006 0.000 1.152 454 Y HN 0.211 nan 8.280 nan 0.000 0.532 455 A N 0.394 123.255 122.820 0.068 0.000 1.986 455 A HA -0.236 4.083 4.320 -0.001 0.000 0.220 455 A C 1.935 179.544 177.584 0.041 0.000 1.171 455 A CA 2.204 54.264 52.037 0.039 0.000 0.640 455 A CB -0.389 18.612 19.000 0.002 0.000 0.811 455 A HN 0.529 nan 8.150 nan 0.000 0.451 456 D N -0.907 119.522 120.400 0.049 0.000 2.340 456 D HA -0.027 4.613 4.640 -0.001 0.000 0.220 456 D C -0.098 176.233 176.300 0.052 0.000 1.039 456 D CA 0.236 54.260 54.000 0.040 0.000 0.866 456 D CB -0.234 40.584 40.800 0.030 0.000 0.913 456 D HN 0.288 nan 8.370 nan 0.000 0.523 457 D N 0.843 121.291 120.400 0.081 0.000 2.454 457 D HA 0.078 4.717 4.640 -0.001 0.000 0.225 457 D C 0.785 177.106 176.300 0.034 0.000 1.081 457 D CA -0.430 53.606 54.000 0.060 0.000 0.864 457 D CB 1.141 41.989 40.800 0.079 0.000 1.040 457 D HN -0.289 nan 8.370 nan 0.000 0.517 458 K N 2.406 122.817 120.400 0.018 0.000 2.148 458 K HA -0.078 4.241 4.320 -0.001 0.000 0.204 458 K C 1.527 178.129 176.600 0.004 0.000 1.050 458 K CA 0.776 57.069 56.287 0.011 0.000 0.942 458 K CB 0.160 32.664 32.500 0.007 0.000 0.724 458 K HN 0.567 nan 8.250 nan 0.000 0.446 459 E N 0.816 121.013 120.200 -0.005 0.000 2.051 459 E HA -0.150 4.199 4.350 -0.001 0.000 0.192 459 E C 1.931 178.518 176.600 -0.022 0.000 0.991 459 E CA 1.178 57.570 56.400 -0.013 0.000 0.799 459 E CB 0.048 29.735 29.700 -0.021 0.000 0.748 459 E HN 0.259 nan 8.360 nan 0.000 0.449 460 K N 0.323 120.697 120.400 -0.042 0.000 2.097 460 K HA -0.094 4.225 4.320 -0.001 0.000 0.205 460 K C 2.188 178.780 176.600 -0.013 0.000 1.050 460 K CA 0.943 57.186 56.287 -0.072 0.000 0.938 460 K CB -0.036 32.353 32.500 -0.185 0.000 0.718 460 K HN 0.004 nan 8.250 nan 0.000 0.442 461 V N 1.549 121.472 119.914 0.016 0.000 2.343 461 V HA -0.260 3.860 4.120 -0.001 0.000 0.247 461 V C 2.388 178.494 176.094 0.020 0.000 1.051 461 V CA 2.037 64.353 62.300 0.028 0.000 1.036 461 V CB -0.680 31.158 31.823 0.024 0.000 0.654 461 V HN 0.343 nan 8.190 nan 0.000 0.451 462 A N -0.264 122.565 122.820 0.014 0.000 1.902 462 A HA -0.153 4.166 4.320 -0.001 0.000 0.217 462 A C 2.220 179.823 177.584 0.031 0.000 1.181 462 A CA 1.747 53.796 52.037 0.019 0.000 0.623 462 A CB -0.520 18.488 19.000 0.013 0.000 0.818 462 A HN 0.501 nan 8.150 nan 0.000 0.443 463 L N -0.712 120.526 121.223 0.026 0.000 2.046 463 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 463 L C 2.554 179.462 176.870 0.063 0.000 1.077 463 L CA 1.104 55.967 54.840 0.039 0.000 0.747 463 L CB -0.525 41.547 42.059 0.020 0.000 0.896 463 L HN 0.378 nan 8.230 nan 0.000 0.432 464 L N -0.625 120.633 121.223 0.058 0.000 2.046 464 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 464 L C 2.726 179.676 176.870 0.133 0.000 1.077 464 L CA 1.008 55.901 54.840 0.089 0.000 0.747 464 L CB -0.557 41.547 42.059 0.075 0.000 0.896 464 L HN 0.193 nan 8.230 nan 0.000 0.432 465 K N 0.354 120.809 120.400 0.092 0.000 2.057 465 K HA -0.115 4.204 4.320 -0.001 0.000 0.207 465 K C 2.211 178.908 176.600 0.162 0.000 1.049 465 K CA 1.516 57.863 56.287 0.100 0.000 0.931 465 K CB -0.590 31.929 32.500 0.032 0.000 0.714 465 K HN 0.294 nan 8.250 nan 0.000 0.440 466 A N 1.599 124.495 122.820 0.126 0.000 1.902 466 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 466 A C 2.369 180.060 177.584 0.179 0.000 1.181 466 A CA 1.225 53.340 52.037 0.131 0.000 0.623 466 A CB -0.668 18.383 19.000 0.084 0.000 0.818 466 A HN 0.182 nan 8.150 nan 0.000 0.443 467 L N -1.760 119.573 121.223 0.183 0.000 2.083 467 L HA -0.201 4.138 4.340 -0.001 0.000 0.209 467 L C 2.640 179.684 176.870 0.290 0.000 1.083 467 L CA 1.312 56.285 54.840 0.222 0.000 0.752 467 L CB -0.462 41.710 42.059 0.188 0.000 0.899 467 L HN 0.774 nan 8.230 nan 0.000 0.433 468 W N 1.308 122.674 121.300 0.109 0.000 2.355 468 W HA -0.209 4.450 4.660 -0.001 0.000 0.309 468 W C 2.327 178.883 176.519 0.063 0.000 1.206 468 W CA 1.647 59.044 57.345 0.087 0.000 1.284 468 W CB -0.278 29.208 29.460 0.044 0.000 1.145 468 W HN 0.256 nan 8.180 nan 0.000 0.502 469 Q N -0.981 119.038 119.800 0.364 0.000 2.096 469 Q HA -0.284 4.055 4.340 -0.001 0.000 0.204 469 Q C 2.134 178.207 176.000 0.121 0.000 0.982 469 Q CA 2.320 58.263 55.803 0.233 0.000 0.850 469 Q CB -0.841 28.017 28.738 0.200 0.000 0.901 469 Q HN 0.299 nan 8.270 nan 0.000 0.422 470 Y N 0.540 120.845 120.300 0.008 0.000 2.145 470 Y HA -0.219 4.331 4.550 -0.001 0.000 0.286 470 Y C 2.162 177.971 175.900 -0.151 0.000 1.145 470 Y CA 1.338 59.404 58.100 -0.057 0.000 1.148 470 Y CB -0.462 37.968 38.460 -0.049 0.000 0.981 470 Y HN 0.095 nan 8.280 nan 0.000 0.507 471 A N -0.041 122.676 122.820 -0.171 0.000 1.933 471 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 471 A C 1.890 179.188 177.584 -0.477 0.000 1.175 471 A CA 1.936 53.714 52.037 -0.431 0.000 0.628 471 A CB -0.862 17.892 19.000 -0.410 0.000 0.814 471 A HN 0.506 nan 8.150 nan 0.000 0.444 472 D N -0.531 119.640 120.400 -0.381 0.000 2.123 472 D HA -0.180 4.459 4.640 -0.001 0.000 0.196 472 D C 1.902 178.054 176.300 -0.247 0.000 0.992 472 D CA 1.556 55.385 54.000 -0.285 0.000 0.833 472 D CB -0.270 40.462 40.800 -0.115 0.000 0.954 472 D HN 0.729 nan 8.370 nan 0.000 0.455 473 E N -0.142 119.907 120.200 -0.251 0.000 2.047 473 E HA -0.137 4.212 4.350 -0.001 0.000 0.191 473 E C 1.888 178.294 176.600 -0.323 0.000 0.987 473 E CA 0.691 56.948 56.400 -0.239 0.000 0.799 473 E CB 0.143 29.716 29.700 -0.212 0.000 0.752 473 E HN 0.118 nan 8.360 nan 0.000 0.449 474 I N 0.472 120.737 120.570 -0.509 0.000 2.333 474 I HA -0.130 4.039 4.170 -0.001 0.000 0.246 474 I C 2.400 178.187 176.117 -0.550 0.000 1.106 474 I CA 1.023 62.005 61.300 -0.530 0.000 1.411 474 I CB -0.303 37.261 38.000 -0.727 0.000 1.082 474 I HN 0.251 nan 8.210 nan 0.000 0.420 475 V N -3.158 116.362 119.914 -0.657 0.000 3.221 475 V HA 0.359 4.478 4.120 -0.001 0.000 0.254 475 V C 0.463 176.271 176.094 -0.477 0.000 1.586 475 V CA 0.373 62.217 62.300 -0.759 0.000 1.074 475 V CB 0.610 31.629 31.823 -1.340 0.000 0.912 475 V HN 0.475 nan 8.190 nan 0.000 0.426 476 E N 0.000 119.936 120.200 -0.440 0.000 2.725 476 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 476 E CA 0.000 56.189 56.400 -0.352 0.000 0.976 476 E CB 0.000 29.565 29.700 -0.225 0.000 0.812 476 E HN 0.000 nan 8.360 nan 0.000 0.440