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 1zl1_1_A DATA FIRST_RESID 1 DATA SEQUENCE YKLIcYYTSW SQYREGDGSC FPDAIDPFLc THVIYSFANI SNNEIDTWEW DATA SEQUENCE NDVTLYDTLN TLKNRNPKLK TLLSVGGWNF GPERFSAIAS KTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKRHLT TLVKEMKAEF IREAQAGTEQ DATA SEQUENCE LLLSAAVSAG KIAIDRGYDI AQISRHLDFI SLLTYDFHGA WRQTVGHHSP DATA SEQUENCE LFAGNEDASS XRFSNADYAV SYMLRLGAPA NKLVMGIPTF GRSFTLASSK DATA SEQUENCE TDVGAPVSGP GVPGRFTKEK GILAYYEIcD FLHGATTHRF RDQQVPYATK DATA SEQUENCE GNQWVAYDDQ ESVKNKARYL KNRQLAGAMV WALDLDDFRG TFcGQNLTFP DATA SEQUENCE LTSAVKDVLA EV 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 1 Y HA 0.000 nan 4.550 nan 0.000 0.201 1 Y C 0.000 175.891 175.900 -0.015 0.000 1.272 1 Y CA 0.000 58.095 58.100 -0.009 0.000 1.940 1 Y CB 0.000 38.458 38.460 -0.003 0.000 1.050 2 K N 3.190 123.662 120.400 0.119 0.000 2.118 2 K HA 0.653 4.979 4.320 0.010 0.000 0.264 2 K C -1.061 175.537 176.600 -0.004 0.000 1.000 2 K CA -0.760 55.525 56.287 -0.003 0.000 0.929 2 K CB 1.306 33.670 32.500 -0.226 0.000 1.021 2 K HN 0.536 nan 8.250 nan 0.000 0.463 3 L N 4.864 126.086 121.223 -0.002 0.000 2.492 3 L HA 0.328 4.674 4.340 0.010 0.000 0.258 3 L C -1.256 175.608 176.870 -0.010 0.000 1.028 3 L CA -0.662 54.178 54.840 0.001 0.000 0.900 3 L CB 0.777 42.850 42.059 0.022 0.000 1.191 3 L HN 0.580 nan 8.230 nan 0.000 0.459 4 I N 2.440 122.974 120.570 -0.060 0.000 2.441 4 I HA 0.211 4.387 4.170 0.010 0.000 0.287 4 I C 0.004 176.131 176.117 0.017 0.000 1.049 4 I CA -0.129 61.139 61.300 -0.053 0.000 1.381 4 I CB 1.091 39.027 38.000 -0.107 0.000 1.409 4 I HN 0.514 nan 8.210 nan 0.000 0.523 5 c N 6.853 125.444 118.600 -0.016 0.000 2.364 5 c HA 0.476 5.052 4.570 0.010 0.000 0.324 5 c C -0.006 174.062 174.090 -0.036 0.000 1.234 5 c CA -0.797 55.533 56.329 0.002 0.000 1.417 5 c CB 0.556 43.032 42.510 -0.056 0.000 2.101 5 c HN 0.563 nan 8.230 nan 0.000 0.466 6 Y N 1.327 121.618 120.300 -0.013 0.000 2.307 6 Y HA 0.483 5.039 4.550 0.010 0.000 0.324 6 Y C -0.026 175.725 175.900 -0.248 0.000 1.238 6 Y CA 0.103 58.137 58.100 -0.109 0.000 1.280 6 Y CB 0.730 39.101 38.460 -0.147 0.000 1.248 6 Y HN 0.703 nan 8.280 nan 0.000 0.508 7 Y N 1.564 121.708 120.300 -0.260 0.000 2.406 7 Y HA 0.480 5.036 4.550 0.010 0.000 0.340 7 Y C -0.779 174.746 175.900 -0.624 0.000 0.975 7 Y CA -1.172 56.688 58.100 -0.399 0.000 1.056 7 Y CB 1.398 39.718 38.460 -0.234 0.000 1.210 7 Y HN 0.630 nan 8.280 nan 0.000 0.448 8 T N 1.660 115.190 114.554 -1.706 0.000 2.795 8 T HA 0.249 4.605 4.350 0.010 0.000 0.282 8 T C 0.888 174.473 174.700 -1.858 0.000 0.980 8 T CA -0.240 60.782 62.100 -1.797 0.000 1.012 8 T CB 1.691 69.237 68.868 -2.202 0.000 0.936 8 T HN 0.734 nan 8.240 nan 0.000 0.457 9 S N 1.564 116.527 115.700 -1.229 0.000 2.359 9 S HA -0.141 4.335 4.470 0.010 0.000 0.223 9 S C 1.527 175.830 174.600 -0.496 0.000 1.039 9 S CA 2.053 59.855 58.200 -0.662 0.000 1.042 9 S CB -0.620 62.403 63.200 -0.296 0.000 0.915 9 S HN 0.981 nan 8.310 nan 0.000 0.439 10 W N 2.179 123.257 121.300 -0.369 0.000 2.747 10 W HA 0.080 4.745 4.660 0.009 0.000 0.244 10 W C 1.762 178.139 176.519 -0.236 0.000 1.270 10 W CA 0.711 57.944 57.345 -0.186 0.000 1.333 10 W CB -0.974 28.506 29.460 0.033 0.000 1.139 10 W HN 0.337 nan 8.180 nan 0.000 0.662 11 S N 0.875 116.127 115.700 -0.746 0.000 2.515 11 S HA -0.258 4.218 4.470 0.010 0.000 0.231 11 S C 1.792 176.141 174.600 -0.420 0.000 0.987 11 S CA 1.004 58.863 58.200 -0.568 0.000 0.936 11 S CB -0.803 61.936 63.200 -0.769 0.000 0.766 11 S HN 0.743 nan 8.310 nan 0.000 0.528 12 Q N 0.140 119.570 119.800 -0.616 0.000 2.224 12 Q HA -0.107 4.238 4.340 0.010 0.000 0.203 12 Q C 1.004 176.811 176.000 -0.320 0.000 0.970 12 Q CA 1.201 56.513 55.803 -0.819 0.000 0.865 12 Q CB -0.785 27.217 28.738 -1.228 0.000 0.922 12 Q HN 0.700 nan 8.270 nan 0.000 0.445 13 Y N 0.959 121.272 120.300 0.021 0.000 2.490 13 Y HA 0.270 4.826 4.550 0.009 0.000 0.281 13 Y C 0.450 176.447 175.900 0.162 0.000 1.174 13 Y CA -0.489 57.700 58.100 0.147 0.000 1.295 13 Y CB 0.054 38.626 38.460 0.188 0.000 1.062 13 Y HN -0.043 nan 8.280 nan 0.000 0.522 14 R N 2.330 122.989 120.500 0.266 0.000 2.643 14 R HA 0.069 4.415 4.340 0.010 0.000 0.270 14 R C 0.507 176.988 176.300 0.302 0.000 1.061 14 R CA -0.177 56.091 56.100 0.279 0.000 1.107 14 R CB 0.371 30.828 30.300 0.262 0.000 0.999 14 R HN 0.393 nan 8.270 nan 0.000 0.460 15 E N 1.354 121.748 120.200 0.323 0.000 2.349 15 E HA 0.361 4.717 4.350 0.010 0.000 0.265 15 E C 0.554 177.391 176.600 0.396 0.000 1.064 15 E CA -0.358 56.228 56.400 0.311 0.000 0.886 15 E CB 0.819 30.655 29.700 0.227 0.000 1.036 15 E HN 0.692 nan 8.360 nan 0.000 0.413 16 G N 2.936 111.917 108.800 0.301 0.000 2.574 16 G HA2 -0.374 3.592 3.960 0.010 0.000 0.286 16 G HA3 -0.374 3.592 3.960 0.010 0.000 0.286 16 G C 0.399 175.425 174.900 0.209 0.000 1.212 16 G CA 0.351 45.618 45.100 0.278 0.000 0.979 16 G HN 0.742 nan 8.290 nan 0.000 0.557 17 D N 1.273 121.746 120.400 0.120 0.000 2.263 17 D HA -0.043 4.603 4.640 0.010 0.000 0.208 17 D C 2.488 178.731 176.300 -0.095 0.000 0.971 17 D CA 1.715 55.681 54.000 -0.056 0.000 0.867 17 D CB -0.844 39.847 40.800 -0.181 0.000 0.929 17 D HN 0.670 nan 8.370 nan 0.000 0.492 18 G N 0.554 109.285 108.800 -0.115 0.000 2.450 18 G HA2 -0.208 3.758 3.960 0.010 0.000 0.220 18 G HA3 -0.208 3.758 3.960 0.010 0.000 0.220 18 G C 0.931 175.978 174.900 0.246 0.000 1.130 18 G CA 0.352 45.454 45.100 0.003 0.000 0.760 18 G HN 0.245 nan 8.290 nan 0.000 0.557 19 S N -0.641 115.208 115.700 0.249 0.000 2.544 19 S HA 0.224 4.700 4.470 0.010 0.000 0.290 19 S C -0.215 174.522 174.600 0.229 0.000 1.276 19 S CA -0.290 58.044 58.200 0.224 0.000 1.075 19 S CB -0.068 63.312 63.200 0.299 0.000 0.849 19 S HN 0.402 nan 8.310 nan 0.000 0.494 20 C N 7.278 126.543 119.300 -0.057 0.000 2.431 20 C HA 0.772 5.237 4.460 0.010 0.000 0.321 20 C C -1.198 173.688 174.990 -0.175 0.000 1.202 20 C CA -0.843 58.057 59.018 -0.196 0.000 1.398 20 C CB -0.527 26.732 27.740 -0.802 0.000 2.047 20 C HN 0.840 nan 8.230 nan 0.000 0.465 21 F N 5.296 125.239 119.950 -0.012 0.000 2.538 21 F HA 0.501 5.034 4.527 0.009 0.000 0.325 21 F C -1.394 174.275 175.800 -0.219 0.000 1.066 21 F CA -1.947 56.031 58.000 -0.037 0.000 0.946 21 F CB 1.295 40.282 39.000 -0.023 0.000 1.199 21 F HN 0.353 nan 8.300 nan 0.000 0.473 22 P HA -0.238 nan 4.420 nan 0.000 0.218 22 P C 0.849 178.051 177.300 -0.163 0.000 1.152 22 P CA 1.867 64.730 63.100 -0.395 0.000 0.857 22 P CB -0.011 31.528 31.700 -0.268 0.000 0.787 23 D N -0.925 119.453 120.400 -0.037 0.000 2.392 23 D HA -0.060 4.586 4.640 0.010 0.000 0.228 23 D C 1.312 177.639 176.300 0.044 0.000 1.003 23 D CA 0.815 54.811 54.000 -0.008 0.000 0.917 23 D CB -0.937 39.861 40.800 -0.004 0.000 0.890 23 D HN 0.157 nan 8.370 nan 0.000 0.532 24 A N 0.070 122.938 122.820 0.080 0.000 2.275 24 A HA 0.259 4.585 4.320 0.010 0.000 0.212 24 A C 0.984 178.729 177.584 0.268 0.000 1.201 24 A CA -0.373 51.767 52.037 0.173 0.000 0.843 24 A CB -0.288 18.856 19.000 0.240 0.000 0.873 24 A HN 0.258 nan 8.150 nan 0.000 0.492 25 I N 1.027 121.689 120.570 0.153 0.000 2.371 25 I HA 0.091 4.267 4.170 0.010 0.000 0.290 25 I C -0.320 175.858 176.117 0.100 0.000 1.028 25 I CA -0.604 60.783 61.300 0.145 0.000 1.345 25 I CB 0.972 38.925 38.000 -0.078 0.000 1.407 25 I HN 0.033 nan 8.210 nan 0.000 0.501 26 D N 9.219 129.708 120.400 0.148 0.000 2.363 26 D HA 0.079 4.725 4.640 0.010 0.000 0.263 26 D C -1.635 174.638 176.300 -0.044 0.000 1.258 26 D CA -1.865 52.200 54.000 0.109 0.000 0.907 26 D CB 1.325 42.225 40.800 0.166 0.000 1.107 26 D HN 0.224 nan 8.370 nan 0.000 0.495 27 P HA -0.046 nan 4.420 nan 0.000 0.222 27 P C 0.499 177.500 177.300 -0.498 0.000 1.147 27 P CA 0.855 63.752 63.100 -0.338 0.000 0.790 27 P CB 0.081 31.500 31.700 -0.468 0.000 0.780 28 F N -2.707 117.222 119.950 -0.034 0.000 2.695 28 F HA 0.167 4.700 4.527 0.009 0.000 0.303 28 F C 1.833 177.611 175.800 -0.037 0.000 1.091 28 F CA -0.262 57.720 58.000 -0.030 0.000 1.300 28 F CB -0.668 38.324 39.000 -0.013 0.000 1.071 28 F HN -0.190 nan 8.300 nan 0.000 0.578 29 L N 0.196 121.452 121.223 0.055 0.000 1.943 29 L HA -0.128 4.217 4.340 0.010 0.000 0.215 29 L C 0.965 177.817 176.870 -0.031 0.000 1.074 29 L CA 1.453 56.285 54.840 -0.013 0.000 0.759 29 L CB -0.494 41.472 42.059 -0.156 0.000 0.888 29 L HN 0.092 nan 8.230 nan 0.000 0.433 30 c N -1.421 117.131 118.600 -0.081 0.000 2.335 30 c HA 0.482 5.058 4.570 0.010 0.000 0.363 30 c C 2.018 176.086 174.090 -0.036 0.000 1.198 30 c CA 0.004 56.302 56.329 -0.052 0.000 2.279 30 c CB 1.013 43.478 42.510 -0.075 0.000 2.334 30 c HN 0.667 nan 8.230 nan 0.000 0.559 31 T N -2.232 112.331 114.554 0.015 0.000 3.031 31 T HA 0.082 4.437 4.350 0.010 0.000 0.254 31 T C 0.138 174.771 174.700 -0.112 0.000 1.060 31 T CA 0.947 63.051 62.100 0.007 0.000 1.135 31 T CB -0.218 68.731 68.868 0.136 0.000 0.896 31 T HN 0.777 nan 8.240 nan 0.000 0.472 32 H N -0.140 118.877 119.070 -0.088 0.000 2.689 32 H HA 0.716 5.278 4.556 0.009 0.000 0.346 32 H C -1.369 173.912 175.328 -0.078 0.000 1.037 32 H CA -0.740 55.264 56.048 -0.074 0.000 1.234 32 H CB 2.080 31.782 29.762 -0.101 0.000 1.572 32 H HN 0.043 nan 8.280 nan 0.000 0.524 33 V N 4.958 124.886 119.914 0.023 0.000 2.448 33 V HA 0.357 4.483 4.120 0.010 0.000 0.295 33 V C -0.096 176.015 176.094 0.027 0.000 1.025 33 V CA -0.605 61.690 62.300 -0.009 0.000 0.859 33 V CB 1.577 33.378 31.823 -0.036 0.000 0.988 33 V HN 0.662 nan 8.190 nan 0.000 0.431 34 I N 4.710 125.248 120.570 -0.054 0.000 2.355 34 I HA 0.321 4.497 4.170 0.010 0.000 0.288 34 I C -0.852 175.302 176.117 0.062 0.000 0.999 34 I CA -0.738 60.515 61.300 -0.078 0.000 1.163 34 I CB 1.309 38.996 38.000 -0.522 0.000 1.316 34 I HN 0.587 nan 8.210 nan 0.000 0.454 35 Y N 5.885 126.216 120.300 0.052 0.000 2.436 35 Y HA 0.129 4.685 4.550 0.010 0.000 0.336 35 Y C 0.584 176.477 175.900 -0.012 0.000 1.049 35 Y CA 0.193 58.360 58.100 0.111 0.000 1.294 35 Y CB 0.798 39.385 38.460 0.211 0.000 1.179 35 Y HN 0.474 nan 8.280 nan 0.000 0.520 36 S N 7.434 122.792 115.700 -0.569 0.000 2.448 36 S HA 0.362 4.838 4.470 0.010 0.000 0.279 36 S C -1.460 172.731 174.600 -0.683 0.000 1.195 36 S CA -0.303 57.436 58.200 -0.767 0.000 1.051 36 S CB -0.620 62.001 63.200 -0.966 0.000 0.948 36 S HN 0.538 nan 8.310 nan 0.000 0.493 37 F N -0.135 119.826 119.950 0.019 0.000 2.130 37 F HA -0.174 4.358 4.527 0.009 0.000 0.425 37 F C 0.478 176.341 175.800 0.105 0.000 1.184 37 F CA -0.192 57.796 58.000 -0.021 0.000 1.394 37 F CB -2.012 36.859 39.000 -0.214 0.000 2.171 37 F HN 0.596 nan 8.300 nan 0.000 0.741 38 A N 1.673 124.739 122.820 0.411 0.000 2.269 38 A HA 0.789 5.115 4.320 0.010 0.000 0.319 38 A C 0.208 178.063 177.584 0.451 0.000 1.110 38 A CA -0.351 51.942 52.037 0.426 0.000 0.847 38 A CB 1.137 20.290 19.000 0.256 0.000 1.161 38 A HN 0.692 nan 8.150 nan 0.000 0.497 39 N N -0.906 118.036 118.700 0.403 0.000 2.518 39 N HA 0.675 5.421 4.740 0.010 0.000 0.284 39 N C -1.193 174.343 175.510 0.043 0.000 1.230 39 N CA -0.499 52.711 53.050 0.267 0.000 0.941 39 N CB 0.955 39.486 38.487 0.072 0.000 1.219 39 N HN 0.493 nan 8.380 nan 0.000 0.560 40 I N 0.624 121.216 120.570 0.037 0.000 2.466 40 I HA 0.325 4.500 4.170 0.010 0.000 0.289 40 I C -0.749 175.322 176.117 -0.078 0.000 1.026 40 I CA -0.552 60.703 61.300 -0.076 0.000 1.078 40 I CB 1.835 39.689 38.000 -0.242 0.000 1.249 40 I HN 0.277 nan 8.210 nan 0.000 0.429 41 S N 4.070 119.728 115.700 -0.071 0.000 2.557 41 S HA 0.347 4.823 4.470 0.010 0.000 0.291 41 S C 0.049 174.621 174.600 -0.048 0.000 1.116 41 S CA -0.673 57.487 58.200 -0.067 0.000 0.992 41 S CB 1.404 64.577 63.200 -0.045 0.000 1.028 41 S HN 0.820 nan 8.310 nan 0.000 0.484 42 N N 2.897 121.562 118.700 -0.057 0.000 2.721 42 N HA -0.204 4.542 4.740 0.010 0.000 0.249 42 N C -0.408 175.085 175.510 -0.027 0.000 1.072 42 N CA 0.411 53.439 53.050 -0.038 0.000 0.710 42 N CB -1.004 37.474 38.487 -0.014 0.000 0.993 42 N HN 0.705 nan 8.380 nan 0.000 0.547 43 N N -1.679 116.988 118.700 -0.056 0.000 2.800 43 N HA -0.177 4.568 4.740 0.010 0.000 0.250 43 N C -0.827 174.727 175.510 0.072 0.000 1.078 43 N CA 1.509 54.535 53.050 -0.041 0.000 0.804 43 N CB -0.856 37.622 38.487 -0.016 0.000 1.135 43 N HN 0.700 nan 8.380 nan 0.000 0.565 44 E N 0.031 120.269 120.200 0.064 0.000 2.227 44 E HA 0.485 4.840 4.350 0.010 0.000 0.268 44 E C 0.112 176.769 176.600 0.096 0.000 0.907 44 E CA -0.905 55.572 56.400 0.128 0.000 0.786 44 E CB 2.267 32.008 29.700 0.067 0.000 1.191 44 E HN 0.188 nan 8.360 nan 0.000 0.411 45 I N 1.531 122.167 120.570 0.110 0.000 2.754 45 I HA 0.070 4.246 4.170 0.010 0.000 0.285 45 I C -0.387 175.496 176.117 -0.391 0.000 1.166 45 I CA 0.859 62.114 61.300 -0.074 0.000 1.417 45 I CB 0.523 38.421 38.000 -0.171 0.000 1.382 45 I HN 0.572 nan 8.210 nan 0.000 0.588 46 D N 2.882 123.062 120.400 -0.366 0.000 2.665 46 D HA 0.325 4.970 4.640 0.010 0.000 0.287 46 D C -0.988 175.333 176.300 0.034 0.000 1.266 46 D CA -0.148 53.712 54.000 -0.234 0.000 0.830 46 D CB 1.431 42.213 40.800 -0.030 0.000 1.356 46 D HN 0.636 nan 8.370 nan 0.000 0.437 47 T N -1.684 113.032 114.554 0.269 0.000 2.726 47 T HA 0.168 4.524 4.350 0.010 0.000 0.294 47 T C 0.146 175.052 174.700 0.343 0.000 1.013 47 T CA -0.284 62.037 62.100 0.368 0.000 0.996 47 T CB 1.040 70.067 68.868 0.266 0.000 1.016 47 T HN 0.526 nan 8.240 nan 0.000 0.529 48 W N -0.026 121.405 121.300 0.218 0.000 4.386 48 W HA 0.269 4.934 4.660 0.009 0.000 0.195 48 W C 0.011 176.664 176.519 0.223 0.000 1.368 48 W CA 0.063 57.538 57.345 0.217 0.000 2.422 48 W CB -0.155 29.462 29.460 0.261 0.000 1.149 48 W HN 0.551 nan 8.180 nan 0.000 0.805 49 E N 2.040 122.634 120.200 0.658 0.000 2.408 49 E HA -0.059 4.297 4.350 0.010 0.000 0.259 49 E C 1.455 178.249 176.600 0.324 0.000 1.110 49 E CA 0.226 56.930 56.400 0.507 0.000 0.929 49 E CB -0.093 29.810 29.700 0.338 0.000 0.971 49 E HN 0.402 nan 8.360 nan 0.000 0.438 50 W N 3.353 124.814 121.300 0.269 0.000 2.374 50 W HA -0.142 4.523 4.660 0.009 0.000 0.288 50 W C 0.543 177.147 176.519 0.142 0.000 1.218 50 W CA 1.123 58.578 57.345 0.182 0.000 1.245 50 W CB -0.568 28.997 29.460 0.174 0.000 1.126 50 W HN 0.373 nan 8.180 nan 0.000 0.545 51 N N 0.567 118.833 118.700 -0.724 0.000 2.238 51 N HA -0.047 4.698 4.740 0.010 0.000 0.222 51 N C 0.543 175.803 175.510 -0.416 0.000 1.133 51 N CA 0.153 52.754 53.050 -0.748 0.000 0.854 51 N CB -0.711 36.967 38.487 -1.349 0.000 1.041 51 N HN -0.106 nan 8.380 nan 0.000 0.510 52 D N 1.280 121.496 120.400 -0.307 0.000 2.127 52 D HA -0.173 4.472 4.640 0.010 0.000 0.190 52 D C 2.142 177.869 176.300 -0.954 0.000 1.000 52 D CA 2.109 55.815 54.000 -0.490 0.000 0.839 52 D CB -0.244 40.328 40.800 -0.379 0.000 0.955 52 D HN 0.274 nan 8.370 nan 0.000 0.446 53 V N -1.065 118.378 119.914 -0.785 0.000 2.660 53 V HA -0.231 3.895 4.120 0.010 0.000 0.257 53 V C 2.054 177.973 176.094 -0.291 0.000 1.088 53 V CA 2.133 64.078 62.300 -0.591 0.000 1.106 53 V CB -1.219 30.496 31.823 -0.181 0.000 0.686 53 V HN 0.044 nan 8.190 nan 0.000 0.481 54 T N 0.684 115.078 114.554 -0.266 0.000 2.894 54 T HA 0.205 4.561 4.350 0.010 0.000 0.258 54 T C 1.833 176.454 174.700 -0.132 0.000 1.043 54 T CA 1.512 63.517 62.100 -0.158 0.000 1.141 54 T CB -0.202 68.571 68.868 -0.157 0.000 0.873 54 T HN 0.424 nan 8.240 nan 0.000 0.449 55 L N -0.044 121.083 121.223 -0.160 0.000 2.056 55 L HA -0.068 4.277 4.340 0.010 0.000 0.207 55 L C 2.508 179.309 176.870 -0.116 0.000 1.078 55 L CA 1.232 56.027 54.840 -0.076 0.000 0.749 55 L CB -0.727 41.356 42.059 0.039 0.000 0.901 55 L HN 0.231 nan 8.230 nan 0.000 0.433 56 Y N 0.644 120.732 120.300 -0.354 0.000 2.069 56 Y HA -0.346 4.209 4.550 0.009 0.000 0.278 56 Y C 2.577 178.272 175.900 -0.341 0.000 1.175 56 Y CA 1.492 59.352 58.100 -0.399 0.000 1.134 56 Y CB -1.047 37.221 38.460 -0.321 0.000 0.965 56 Y HN 0.295 nan 8.280 nan 0.000 0.498 57 D N -0.746 119.622 120.400 -0.052 0.000 2.104 57 D HA -0.146 4.500 4.640 0.010 0.000 0.194 57 D C 1.992 178.225 176.300 -0.111 0.000 0.994 57 D CA 2.147 56.096 54.000 -0.086 0.000 0.830 57 D CB -0.180 40.587 40.800 -0.053 0.000 0.959 57 D HN 0.306 nan 8.370 nan 0.000 0.452 58 T N 0.600 115.097 114.554 -0.095 0.000 2.622 58 T HA -0.195 4.160 4.350 0.010 0.000 0.266 58 T C 1.950 176.576 174.700 -0.122 0.000 1.047 58 T CA 1.425 63.471 62.100 -0.089 0.000 1.159 58 T CB -0.650 68.185 68.868 -0.054 0.000 0.863 58 T HN 0.140 nan 8.240 nan 0.000 0.422 59 L N 1.644 122.779 121.223 -0.147 0.000 1.989 59 L HA -0.101 4.245 4.340 0.010 0.000 0.211 59 L C 1.798 178.552 176.870 -0.194 0.000 1.071 59 L CA 1.905 56.642 54.840 -0.172 0.000 0.749 59 L CB -0.822 41.150 42.059 -0.145 0.000 0.890 59 L HN 0.250 nan 8.230 nan 0.000 0.431 60 N N -1.628 116.922 118.700 -0.249 0.000 2.550 60 N HA -0.121 4.624 4.740 0.010 0.000 0.186 60 N C 1.301 176.695 175.510 -0.193 0.000 1.110 60 N CA 0.919 53.808 53.050 -0.268 0.000 0.912 60 N CB -0.052 38.206 38.487 -0.382 0.000 0.968 60 N HN 0.634 nan 8.380 nan 0.000 0.448 61 T N -1.443 113.017 114.554 -0.157 0.000 3.043 61 T HA 0.059 4.415 4.350 0.010 0.000 0.263 61 T C 1.747 176.371 174.700 -0.127 0.000 1.094 61 T CA 0.254 62.280 62.100 -0.124 0.000 1.127 61 T CB -0.239 68.570 68.868 -0.098 0.000 0.905 61 T HN 0.124 nan 8.240 nan 0.000 0.490 62 L N 0.426 121.562 121.223 -0.146 0.000 2.187 62 L HA -0.069 4.277 4.340 0.010 0.000 0.213 62 L C 2.666 179.423 176.870 -0.190 0.000 1.100 62 L CA 1.377 56.118 54.840 -0.165 0.000 0.765 62 L CB -0.554 41.395 42.059 -0.183 0.000 0.904 62 L HN 0.285 nan 8.230 nan 0.000 0.437 63 K N -0.172 120.123 120.400 -0.174 0.000 2.515 63 K HA -0.101 4.224 4.320 0.010 0.000 0.196 63 K C 1.485 178.006 176.600 -0.132 0.000 1.038 63 K CA 0.562 56.750 56.287 -0.166 0.000 0.967 63 K CB -0.074 32.333 32.500 -0.155 0.000 0.780 63 K HN 0.305 nan 8.250 nan 0.000 0.483 64 N N 0.410 119.040 118.700 -0.116 0.000 2.415 64 N HA -0.018 4.728 4.740 0.010 0.000 0.176 64 N C 1.240 176.712 175.510 -0.063 0.000 1.042 64 N CA 0.679 53.682 53.050 -0.079 0.000 0.902 64 N CB 0.253 38.700 38.487 -0.067 0.000 0.986 64 N HN 0.184 nan 8.380 nan 0.000 0.447 65 R N -0.145 120.299 120.500 -0.093 0.000 2.140 65 R HA 0.124 4.470 4.340 0.010 0.000 0.213 65 R C 0.027 176.277 176.300 -0.083 0.000 1.059 65 R CA 0.373 56.444 56.100 -0.049 0.000 1.000 65 R CB -0.035 30.228 30.300 -0.062 0.000 0.910 65 R HN 0.034 nan 8.270 nan 0.000 0.455 66 N N 0.874 119.408 118.700 -0.277 0.000 2.682 66 N HA 0.194 4.940 4.740 0.010 0.000 0.252 66 N C -2.367 173.039 175.510 -0.172 0.000 1.081 66 N CA -2.291 50.565 53.050 -0.322 0.000 0.844 66 N CB 1.717 39.692 38.487 -0.853 0.000 1.167 66 N HN -0.250 nan 8.380 nan 0.000 0.523 67 P HA -0.089 nan 4.420 nan 0.000 0.221 67 P C 0.700 177.960 177.300 -0.068 0.000 1.145 67 P CA 1.093 64.156 63.100 -0.061 0.000 0.795 67 P CB 0.416 32.103 31.700 -0.023 0.000 0.775 68 K N -1.243 119.120 120.400 -0.062 0.000 2.314 68 K HA 0.084 4.409 4.320 0.010 0.000 0.198 68 K C 0.989 177.515 176.600 -0.124 0.000 1.045 68 K CA -0.002 56.245 56.287 -0.067 0.000 0.988 68 K CB -0.468 32.018 32.500 -0.023 0.000 0.783 68 K HN 0.196 nan 8.250 nan 0.000 0.484 69 L N 2.924 124.052 121.223 -0.158 0.000 2.540 69 L HA -0.015 4.330 4.340 0.010 0.000 0.276 69 L C -0.213 176.535 176.870 -0.203 0.000 1.212 69 L CA 0.960 55.680 54.840 -0.201 0.000 0.893 69 L CB 0.247 42.169 42.059 -0.228 0.000 1.138 69 L HN -0.011 nan 8.230 nan 0.000 0.491 70 K N 3.539 123.777 120.400 -0.269 0.000 2.203 70 K HA 0.552 4.878 4.320 0.010 0.000 0.251 70 K C -0.284 176.237 176.600 -0.132 0.000 0.944 70 K CA -0.479 55.667 56.287 -0.234 0.000 0.829 70 K CB 2.131 34.395 32.500 -0.392 0.000 1.125 70 K HN 0.746 nan 8.250 nan 0.000 0.430 71 T N -0.549 113.994 114.554 -0.018 0.000 2.893 71 T HA 0.768 5.124 4.350 0.010 0.000 0.291 71 T C -0.424 174.423 174.700 0.244 0.000 1.028 71 T CA -0.850 61.312 62.100 0.103 0.000 0.995 71 T CB 1.251 70.158 68.868 0.066 0.000 1.051 71 T HN 0.231 nan 8.240 nan 0.000 0.470 72 L N 1.039 122.422 121.223 0.266 0.000 2.359 72 L HA 0.780 5.126 4.340 0.010 0.000 0.256 72 L C -1.358 175.482 176.870 -0.051 0.000 1.026 72 L CA -1.015 53.922 54.840 0.161 0.000 0.828 72 L CB 2.078 44.224 42.059 0.145 0.000 1.406 72 L HN 0.680 nan 8.230 nan 0.000 0.413 73 L N 0.248 121.311 121.223 -0.267 0.000 2.356 73 L HA 0.705 5.051 4.340 0.010 0.000 0.277 73 L C -0.381 176.464 176.870 -0.041 0.000 0.996 73 L CA 0.096 54.708 54.840 -0.380 0.000 0.822 73 L CB 1.797 43.382 42.059 -0.791 0.000 1.256 73 L HN 0.550 nan 8.230 nan 0.000 0.413 74 S N 3.528 119.285 115.700 0.094 0.000 2.508 74 S HA 0.793 5.269 4.470 0.010 0.000 0.284 74 S C -0.693 174.085 174.600 0.297 0.000 1.192 74 S CA -0.585 57.765 58.200 0.250 0.000 1.070 74 S CB 0.798 64.240 63.200 0.404 0.000 1.004 74 S HN 0.465 nan 8.310 nan 0.000 0.493 75 V N 3.561 123.625 119.914 0.250 0.000 2.547 75 V HA 0.943 5.069 4.120 0.010 0.000 0.299 75 V C 1.222 177.303 176.094 -0.022 0.000 1.040 75 V CA 0.107 62.478 62.300 0.118 0.000 0.913 75 V CB 0.257 32.156 31.823 0.128 0.000 0.992 75 V HN 1.293 nan 8.190 nan 0.000 0.449 76 G N 1.984 110.512 108.800 -0.453 0.000 2.754 76 G HA2 0.419 4.385 3.960 0.010 0.000 0.241 76 G HA3 0.419 4.385 3.960 0.010 0.000 0.241 76 G C 0.603 175.038 174.900 -0.776 0.000 1.281 76 G CA 0.073 44.755 45.100 -0.697 0.000 0.971 76 G HN 2.814 nan 8.290 nan 0.000 0.569 77 G N -2.675 105.468 108.800 -1.095 0.000 2.631 77 G HA2 0.043 4.008 3.960 0.010 0.000 0.504 77 G HA3 0.043 4.008 3.960 0.010 0.000 0.504 77 G C 0.675 175.012 174.900 -0.937 0.000 1.306 77 G CA 0.583 44.473 45.100 -2.017 0.000 0.897 77 G HN 1.381 nan 8.290 nan 0.000 0.520 78 W N -0.022 120.983 121.300 -0.492 0.000 2.436 78 W HA 0.020 4.686 4.660 0.011 0.000 0.284 78 W C 2.249 178.693 176.519 -0.124 0.000 1.225 78 W CA 1.128 58.333 57.345 -0.234 0.000 1.271 78 W CB -0.396 28.951 29.460 -0.189 0.000 1.114 78 W HN 0.560 nan 8.180 nan 0.000 0.559 79 N N -0.404 118.355 118.700 0.097 0.000 2.383 79 N HA -0.030 4.715 4.740 0.010 0.000 0.192 79 N C -0.435 175.248 175.510 0.288 0.000 1.141 79 N CA -0.067 53.083 53.050 0.168 0.000 0.851 79 N CB -0.085 38.509 38.487 0.178 0.000 0.976 79 N HN -0.117 nan 8.380 nan 0.000 0.465 80 F N 1.027 121.013 119.950 0.060 0.000 2.410 80 F HA 0.394 4.926 4.527 0.009 0.000 0.349 80 F C 0.776 176.563 175.800 -0.022 0.000 1.117 80 F CA -0.884 57.143 58.000 0.045 0.000 1.104 80 F CB 0.997 39.985 39.000 -0.020 0.000 1.122 80 F HN -0.193 nan 8.300 nan 0.000 0.483 81 G N 6.738 115.262 108.800 -0.459 0.000 2.360 81 G HA2 0.266 4.232 3.960 0.010 0.000 0.279 81 G HA3 0.266 4.232 3.960 0.010 0.000 0.279 81 G C -2.111 172.687 174.900 -0.170 0.000 1.189 81 G CA -1.159 43.782 45.100 -0.264 0.000 0.941 81 G HN 0.550 nan 8.290 nan 0.000 0.445 82 P HA -0.182 nan 4.420 nan 0.000 0.216 82 P C 1.477 178.843 177.300 0.110 0.000 1.154 82 P CA 1.320 64.540 63.100 0.199 0.000 0.865 82 P CB 0.335 32.199 31.700 0.275 0.000 0.789 83 E N -0.340 119.877 120.200 0.030 0.000 2.086 83 E HA -0.218 4.137 4.350 0.010 0.000 0.200 83 E C 2.017 178.555 176.600 -0.103 0.000 1.012 83 E CA 1.298 57.693 56.400 -0.008 0.000 0.812 83 E CB -0.851 28.821 29.700 -0.047 0.000 0.743 83 E HN 0.237 nan 8.360 nan 0.000 0.453 84 R N -0.431 119.923 120.500 -0.244 0.000 2.112 84 R HA -0.176 4.170 4.340 0.010 0.000 0.242 84 R C 2.280 178.383 176.300 -0.329 0.000 1.137 84 R CA 1.639 57.502 56.100 -0.394 0.000 0.944 84 R CB -0.643 29.163 30.300 -0.823 0.000 0.857 84 R HN 0.157 nan 8.270 nan 0.000 0.435 85 F N 0.970 120.700 119.950 -0.366 0.000 2.126 85 F HA -0.248 4.285 4.527 0.009 0.000 0.299 85 F C 2.792 178.146 175.800 -0.744 0.000 1.096 85 F CA 1.535 59.126 58.000 -0.682 0.000 1.255 85 F CB -0.625 37.492 39.000 -1.472 0.000 0.997 85 F HN -0.038 nan 8.300 nan 0.000 0.479 86 S N -0.434 115.159 115.700 -0.178 0.000 2.351 86 S HA -0.240 4.235 4.470 0.010 0.000 0.220 86 S C 2.377 176.967 174.600 -0.017 0.000 1.035 86 S CA 1.413 59.658 58.200 0.075 0.000 1.031 86 S CB -0.823 62.492 63.200 0.192 0.000 0.928 86 S HN 0.407 nan 8.310 nan 0.000 0.433 87 A N 1.106 123.881 122.820 -0.075 0.000 1.927 87 A HA -0.136 4.190 4.320 0.010 0.000 0.220 87 A C 2.090 179.603 177.584 -0.119 0.000 1.185 87 A CA 1.870 53.849 52.037 -0.096 0.000 0.639 87 A CB -0.847 18.082 19.000 -0.118 0.000 0.820 87 A HN 0.636 nan 8.150 nan 0.000 0.451 88 I N -0.808 119.661 120.570 -0.168 0.000 2.353 88 I HA -0.195 3.981 4.170 0.010 0.000 0.248 88 I C 2.758 178.822 176.117 -0.089 0.000 1.119 88 I CA 1.044 62.243 61.300 -0.168 0.000 1.417 88 I CB -0.202 37.611 38.000 -0.312 0.000 1.078 88 I HN 0.347 nan 8.210 nan 0.000 0.421 89 A N -0.402 122.386 122.820 -0.053 0.000 2.123 89 A HA -0.033 4.293 4.320 0.010 0.000 0.214 89 A C 2.359 179.906 177.584 -0.062 0.000 1.152 89 A CA 0.947 53.014 52.037 0.050 0.000 0.728 89 A CB -0.323 18.811 19.000 0.223 0.000 0.814 89 A HN 0.317 nan 8.150 nan 0.000 0.464 90 S N 0.198 115.784 115.700 -0.189 0.000 2.406 90 S HA -0.026 4.449 4.470 0.010 0.000 0.228 90 S C 0.676 175.083 174.600 -0.321 0.000 1.020 90 S CA 0.852 58.757 58.200 -0.493 0.000 0.965 90 S CB -0.062 62.967 63.200 -0.285 0.000 0.798 90 S HN 0.606 nan 8.310 nan 0.000 0.488 91 K N 2.078 122.385 120.400 -0.155 0.000 2.281 91 K HA 0.234 4.560 4.320 0.010 0.000 0.272 91 K C 1.159 177.731 176.600 -0.046 0.000 1.048 91 K CA -0.011 56.224 56.287 -0.088 0.000 0.898 91 K CB 1.212 33.674 32.500 -0.064 0.000 1.128 91 K HN 0.194 nan 8.250 nan 0.000 0.460 92 T N -0.283 114.254 114.554 -0.028 0.000 2.760 92 T HA -0.294 4.062 4.350 0.010 0.000 0.269 92 T C 1.734 176.437 174.700 0.005 0.000 1.047 92 T CA 1.435 63.535 62.100 0.000 0.000 1.139 92 T CB -0.050 68.823 68.868 0.008 0.000 0.855 92 T HN 0.417 nan 8.240 nan 0.000 0.471 93 Q N 1.527 121.325 119.800 -0.003 0.000 2.049 93 Q HA 0.013 4.359 4.340 0.010 0.000 0.198 93 Q C 2.739 178.744 176.000 0.007 0.000 0.971 93 Q CA 2.106 57.910 55.803 0.002 0.000 0.833 93 Q CB -0.512 28.223 28.738 -0.005 0.000 0.896 93 Q HN 0.837 nan 8.270 nan 0.000 0.434 94 S N -0.512 115.186 115.700 -0.004 0.000 2.428 94 S HA -0.074 4.401 4.470 0.010 0.000 0.230 94 S C 1.871 176.495 174.600 0.041 0.000 1.014 94 S CA 0.749 58.950 58.200 0.001 0.000 0.957 94 S CB -0.161 63.018 63.200 -0.036 0.000 0.784 94 S HN 0.275 nan 8.310 nan 0.000 0.499 95 R N 1.657 122.184 120.500 0.045 0.000 2.066 95 R HA 0.043 4.389 4.340 0.010 0.000 0.232 95 R C 2.726 179.093 176.300 0.113 0.000 1.131 95 R CA 1.144 57.306 56.100 0.104 0.000 0.955 95 R CB -0.266 30.081 30.300 0.078 0.000 0.851 95 R HN 0.387 nan 8.270 nan 0.000 0.432 96 R N -0.116 120.420 120.500 0.058 0.000 2.096 96 R HA -0.117 4.228 4.340 0.010 0.000 0.235 96 R C 1.684 178.009 176.300 0.042 0.000 1.127 96 R CA 2.011 58.132 56.100 0.035 0.000 0.968 96 R CB -0.390 29.922 30.300 0.021 0.000 0.861 96 R HN 0.258 nan 8.270 nan 0.000 0.440 97 T N 1.155 115.746 114.554 0.061 0.000 2.595 97 T HA -0.203 4.153 4.350 0.010 0.000 0.264 97 T C 1.385 176.147 174.700 0.104 0.000 1.058 97 T CA 1.772 63.913 62.100 0.067 0.000 1.166 97 T CB -0.537 68.367 68.868 0.060 0.000 0.863 97 T HN 0.318 nan 8.240 nan 0.000 0.415 98 F N 1.730 121.665 119.950 -0.024 0.000 2.091 98 F HA -0.116 4.416 4.527 0.010 0.000 0.299 98 F C 2.017 177.813 175.800 -0.007 0.000 1.103 98 F CA 0.964 58.945 58.000 -0.032 0.000 1.228 98 F CB -0.771 38.197 39.000 -0.054 0.000 0.984 98 F HN 0.149 nan 8.300 nan 0.000 0.477 99 I N 0.268 120.724 120.570 -0.189 0.000 2.142 99 I HA -0.316 3.860 4.170 0.010 0.000 0.240 99 I C 2.550 178.563 176.117 -0.172 0.000 1.078 99 I CA 1.440 62.551 61.300 -0.314 0.000 1.343 99 I CB -0.620 37.291 38.000 -0.148 0.000 1.046 99 I HN 0.031 nan 8.210 nan 0.000 0.405 100 K N 0.794 121.155 120.400 -0.066 0.000 2.218 100 K HA -0.189 4.137 4.320 0.010 0.000 0.205 100 K C 2.300 178.902 176.600 0.003 0.000 1.046 100 K CA 1.877 58.156 56.287 -0.013 0.000 0.933 100 K CB -0.251 32.255 32.500 0.009 0.000 0.728 100 K HN 0.477 nan 8.250 nan 0.000 0.454 101 S N -0.087 115.601 115.700 -0.020 0.000 2.387 101 S HA -0.070 4.405 4.470 0.010 0.000 0.226 101 S C 2.155 176.781 174.600 0.043 0.000 1.026 101 S CA 0.912 59.128 58.200 0.026 0.000 0.972 101 S CB -0.470 62.754 63.200 0.040 0.000 0.814 101 S HN -0.024 nan 8.310 nan 0.000 0.477 102 V N 3.701 123.581 119.914 -0.056 0.000 2.215 102 V HA -0.136 3.990 4.120 0.010 0.000 0.246 102 V C -0.083 176.107 176.094 0.159 0.000 1.047 102 V CA 2.456 64.773 62.300 0.028 0.000 0.999 102 V CB -1.879 29.914 31.823 -0.050 0.000 0.635 102 V HN 0.350 nan 8.190 nan 0.000 0.450 103 P HA -0.190 nan 4.420 nan 0.000 0.218 103 P C -1.362 175.983 177.300 0.076 0.000 1.165 103 P CA 2.623 65.772 63.100 0.082 0.000 0.922 103 P CB -1.306 30.448 31.700 0.090 0.000 0.794 104 P HA -0.195 nan 4.420 nan 0.000 0.215 104 P C 1.511 178.867 177.300 0.094 0.000 1.157 104 P CA 1.163 64.308 63.100 0.075 0.000 0.874 104 P CB -0.542 31.210 31.700 0.088 0.000 0.790 105 F N -0.219 119.769 119.950 0.063 0.000 2.065 105 F HA -0.221 4.311 4.527 0.009 0.000 0.298 105 F C 1.886 177.791 175.800 0.175 0.000 1.112 105 F CA 1.563 59.645 58.000 0.137 0.000 1.212 105 F CB -0.891 38.211 39.000 0.169 0.000 0.975 105 F HN -0.228 nan 8.300 nan 0.000 0.476 106 L N -0.134 121.243 121.223 0.257 0.000 2.093 106 L HA -0.132 4.213 4.340 0.010 0.000 0.208 106 L C 2.438 179.350 176.870 0.071 0.000 1.085 106 L CA 1.471 56.437 54.840 0.210 0.000 0.755 106 L CB -1.174 40.972 42.059 0.145 0.000 0.904 106 L HN -0.016 nan 8.230 nan 0.000 0.435 107 R N -0.939 119.561 120.500 -0.000 0.000 2.096 107 R HA -0.099 4.247 4.340 0.010 0.000 0.235 107 R C 2.243 178.477 176.300 -0.109 0.000 1.127 107 R CA 1.731 57.799 56.100 -0.053 0.000 0.968 107 R CB -0.822 29.448 30.300 -0.049 0.000 0.861 107 R HN 0.328 nan 8.270 nan 0.000 0.440 108 T N -0.233 114.215 114.554 -0.177 0.000 2.708 108 T HA -0.105 4.251 4.350 0.010 0.000 0.266 108 T C 1.119 175.584 174.700 -0.392 0.000 1.037 108 T CA 1.372 63.273 62.100 -0.331 0.000 1.146 108 T CB -0.251 68.294 68.868 -0.538 0.000 0.865 108 T HN 0.346 nan 8.240 nan 0.000 0.435 109 H N 0.056 119.023 119.070 -0.171 0.000 2.539 109 H HA 0.338 4.899 4.556 0.010 0.000 0.269 109 H C 1.790 176.907 175.328 -0.352 0.000 0.980 109 H CA 0.519 56.458 56.048 -0.181 0.000 1.152 109 H CB 0.022 29.735 29.762 -0.082 0.000 1.407 109 H HN 0.558 nan 8.280 nan 0.000 0.564 110 G N 0.863 109.550 108.800 -0.189 0.000 2.137 110 G HA2 -0.256 3.710 3.960 0.010 0.000 0.237 110 G HA3 -0.256 3.710 3.960 0.010 0.000 0.237 110 G C -0.272 174.420 174.900 -0.346 0.000 1.002 110 G CA -0.286 44.654 45.100 -0.267 0.000 0.702 110 G HN 0.177 nan 8.290 nan 0.000 0.515 111 F N 0.580 120.465 119.950 -0.109 0.000 2.379 111 F HA 0.446 4.978 4.527 0.009 0.000 0.332 111 F C 1.238 176.985 175.800 -0.088 0.000 1.096 111 F CA -0.680 57.259 58.000 -0.101 0.000 1.105 111 F CB 1.005 39.947 39.000 -0.097 0.000 1.189 111 F HN -0.018 nan 8.300 nan 0.000 0.515 112 D N 1.226 121.709 120.400 0.138 0.000 2.349 112 D HA 0.261 4.907 4.640 0.010 0.000 0.214 112 D C 0.740 177.058 176.300 0.030 0.000 1.063 112 D CA 0.427 54.451 54.000 0.040 0.000 0.847 112 D CB 0.635 41.444 40.800 0.016 0.000 0.933 112 D HN 0.673 nan 8.370 nan 0.000 0.513 113 G N 0.373 109.211 108.800 0.063 0.000 2.349 113 G HA2 0.378 4.344 3.960 0.010 0.000 0.294 113 G HA3 0.378 4.344 3.960 0.010 0.000 0.294 113 G C -2.323 172.622 174.900 0.074 0.000 1.380 113 G CA -0.802 44.317 45.100 0.032 0.000 0.811 113 G HN 0.048 nan 8.290 nan 0.000 0.519 114 L N 0.342 121.658 121.223 0.156 0.000 2.365 114 L HA 0.819 5.164 4.340 0.010 0.000 0.273 114 L C -1.262 175.684 176.870 0.127 0.000 1.000 114 L CA -0.631 54.308 54.840 0.165 0.000 0.819 114 L CB 2.157 44.393 42.059 0.294 0.000 1.284 114 L HN 0.618 nan 8.230 nan 0.000 0.418 115 D N 3.940 124.411 120.400 0.119 0.000 2.381 115 D HA 0.371 5.017 4.640 0.010 0.000 0.235 115 D C -1.174 175.236 176.300 0.182 0.000 1.068 115 D CA -0.151 53.926 54.000 0.128 0.000 0.832 115 D CB 0.961 41.859 40.800 0.163 0.000 1.101 115 D HN 0.528 nan 8.370 nan 0.000 0.515 116 L N 3.389 124.701 121.223 0.148 0.000 2.283 116 L HA 0.531 4.876 4.340 0.010 0.000 0.287 116 L C 0.291 177.228 176.870 0.112 0.000 1.073 116 L CA -0.657 54.277 54.840 0.156 0.000 0.822 116 L CB 1.278 43.411 42.059 0.123 0.000 1.186 116 L HN 0.580 nan 8.230 nan 0.000 0.436 117 A N 4.601 127.480 122.820 0.098 0.000 3.257 117 A HA 0.123 4.449 4.320 0.010 0.000 0.308 117 A C -0.528 176.975 177.584 -0.134 0.000 1.175 117 A CA -0.495 51.526 52.037 -0.026 0.000 1.018 117 A CB -0.134 18.859 19.000 -0.012 0.000 1.088 117 A HN 0.740 nan 8.150 nan 0.000 0.567 118 W N 2.713 123.741 121.300 -0.453 0.000 2.605 118 W HA 0.263 4.929 4.660 0.009 0.000 0.327 118 W C -0.877 175.396 176.519 -0.409 0.000 1.332 118 W CA -0.612 56.318 57.345 -0.691 0.000 1.403 118 W CB 0.063 28.891 29.460 -1.053 0.000 1.452 118 W HN 0.363 nan 8.180 nan 0.000 0.503 119 L N 9.626 130.833 121.223 -0.026 0.000 2.395 119 L HA 0.082 4.428 4.340 0.010 0.000 0.268 119 L C -0.611 176.004 176.870 -0.426 0.000 1.223 119 L CA -0.137 54.393 54.840 -0.517 0.000 1.093 119 L CB -1.055 40.518 42.059 -0.810 0.000 1.349 119 L HN 0.452 nan 8.230 nan 0.000 0.427 120 Y N 0.351 120.673 120.300 0.037 0.000 2.839 120 Y HA -0.150 4.406 4.550 0.009 0.000 0.035 120 Y C -2.368 173.367 175.900 -0.275 0.000 2.136 120 Y CA -1.321 56.723 58.100 -0.094 0.000 1.175 120 Y CB -1.133 37.345 38.460 0.030 0.000 1.861 120 Y HN 0.456 nan 8.280 nan 0.000 0.290 121 P HA 0.227 nan 4.420 nan 0.000 0.271 121 P C 0.549 177.623 177.300 -0.378 0.000 1.218 121 P CA 0.303 62.888 63.100 -0.858 0.000 0.780 121 P CB 0.912 31.788 31.700 -1.374 0.000 0.901 122 G N 1.043 109.728 108.800 -0.191 0.000 2.531 122 G HA2 0.187 4.153 3.960 0.010 0.000 0.313 122 G HA3 0.187 4.153 3.960 0.010 0.000 0.313 122 G C 0.788 175.615 174.900 -0.122 0.000 1.238 122 G CA -0.552 44.495 45.100 -0.087 0.000 0.994 122 G HN 0.421 nan 8.290 nan 0.000 0.493 123 R N -0.617 119.839 120.500 -0.074 0.000 2.117 123 R HA -0.077 4.269 4.340 0.010 0.000 0.243 123 R C 2.421 178.678 176.300 -0.072 0.000 1.143 123 R CA 1.375 57.431 56.100 -0.073 0.000 0.968 123 R CB -0.135 30.140 30.300 -0.040 0.000 0.863 123 R HN 0.517 nan 8.270 nan 0.000 0.444 124 R N -0.141 120.339 120.500 -0.034 0.000 2.235 124 R HA -0.037 4.309 4.340 0.010 0.000 0.213 124 R C 0.852 177.148 176.300 -0.008 0.000 1.059 124 R CA 0.989 57.084 56.100 -0.008 0.000 0.997 124 R CB 0.126 30.455 30.300 0.048 0.000 0.884 124 R HN 0.382 nan 8.270 nan 0.000 0.462 125 D N 0.369 120.751 120.400 -0.030 0.000 2.354 125 D HA -0.058 4.588 4.640 0.010 0.000 0.209 125 D C 1.476 177.655 176.300 -0.203 0.000 1.015 125 D CA 0.280 54.278 54.000 -0.003 0.000 0.867 125 D CB 0.182 40.962 40.800 -0.033 0.000 0.933 125 D HN 0.144 nan 8.370 nan 0.000 0.520 126 K N 1.602 121.846 120.400 -0.259 0.000 2.089 126 K HA -0.189 4.137 4.320 0.010 0.000 0.210 126 K C 2.102 178.568 176.600 -0.223 0.000 1.048 126 K CA 1.040 57.165 56.287 -0.269 0.000 0.926 126 K CB 0.133 32.512 32.500 -0.202 0.000 0.714 126 K HN -0.066 nan 8.250 nan 0.000 0.448 127 R N -0.509 119.820 120.500 -0.285 0.000 2.148 127 R HA -0.109 4.237 4.340 0.010 0.000 0.223 127 R C 1.841 178.010 176.300 -0.218 0.000 1.088 127 R CA 1.221 57.153 56.100 -0.279 0.000 0.985 127 R CB -0.053 30.036 30.300 -0.352 0.000 0.880 127 R HN 0.432 nan 8.270 nan 0.000 0.451 128 H N 0.408 119.501 119.070 0.037 0.000 2.384 128 H HA -0.077 4.484 4.556 0.009 0.000 0.300 128 H C 2.059 177.464 175.328 0.129 0.000 1.057 128 H CA 0.610 56.719 56.048 0.102 0.000 1.370 128 H CB -0.392 29.471 29.762 0.169 0.000 1.417 128 H HN 0.129 nan 8.280 nan 0.000 0.527 129 L N 1.090 122.406 121.223 0.156 0.000 2.081 129 L HA -0.192 4.154 4.340 0.010 0.000 0.212 129 L C 1.679 178.593 176.870 0.073 0.000 1.080 129 L CA 1.794 56.685 54.840 0.085 0.000 0.754 129 L CB -0.669 41.192 42.059 -0.331 0.000 0.893 129 L HN 0.208 nan 8.230 nan 0.000 0.433 130 T N -0.653 113.917 114.554 0.026 0.000 2.821 130 T HA -0.132 4.224 4.350 0.010 0.000 0.267 130 T C 1.771 176.500 174.700 0.048 0.000 1.046 130 T CA 1.751 63.873 62.100 0.038 0.000 1.139 130 T CB -0.212 68.666 68.868 0.018 0.000 0.871 130 T HN 0.450 nan 8.240 nan 0.000 0.454 131 T N 2.651 117.250 114.554 0.075 0.000 2.674 131 T HA -0.045 4.311 4.350 0.010 0.000 0.265 131 T C 1.904 176.637 174.700 0.055 0.000 1.039 131 T CA 0.936 63.077 62.100 0.069 0.000 1.150 131 T CB -0.568 68.377 68.868 0.128 0.000 0.864 131 T HN 0.148 nan 8.240 nan 0.000 0.427 132 L N 1.537 122.834 121.223 0.123 0.000 2.089 132 L HA -0.117 4.229 4.340 0.010 0.000 0.213 132 L C 2.329 179.227 176.870 0.046 0.000 1.079 132 L CA 1.617 56.537 54.840 0.134 0.000 0.758 132 L CB -0.769 41.446 42.059 0.260 0.000 0.891 132 L HN 0.104 nan 8.230 nan 0.000 0.433 133 V N -0.623 119.309 119.914 0.030 0.000 2.323 133 V HA -0.248 3.877 4.120 0.010 0.000 0.244 133 V C 2.568 178.565 176.094 -0.160 0.000 1.041 133 V CA 1.948 64.232 62.300 -0.027 0.000 1.025 133 V CB -0.622 31.225 31.823 0.040 0.000 0.656 133 V HN 0.434 nan 8.190 nan 0.000 0.451 134 K N 0.150 120.407 120.400 -0.238 0.000 1.978 134 K HA -0.244 4.081 4.320 0.010 0.000 0.214 134 K C 2.212 178.627 176.600 -0.307 0.000 1.049 134 K CA 2.181 58.176 56.287 -0.488 0.000 0.939 134 K CB -0.312 31.987 32.500 -0.334 0.000 0.721 134 K HN 0.507 nan 8.250 nan 0.000 0.441 135 E N 0.335 120.428 120.200 -0.179 0.000 2.097 135 E HA -0.255 4.101 4.350 0.010 0.000 0.196 135 E C 1.971 178.462 176.600 -0.181 0.000 1.000 135 E CA 1.530 57.850 56.400 -0.133 0.000 0.804 135 E CB -0.106 29.552 29.700 -0.069 0.000 0.740 135 E HN 0.189 nan 8.360 nan 0.000 0.454 136 M N 1.208 120.666 119.600 -0.236 0.000 2.067 136 M HA -0.187 4.298 4.480 0.010 0.000 0.260 136 M C 2.030 177.979 176.300 -0.585 0.000 1.069 136 M CA 1.716 56.760 55.300 -0.428 0.000 1.117 136 M CB -0.068 32.282 32.600 -0.418 0.000 1.334 136 M HN -0.206 nan 8.290 nan 0.000 0.407 137 K N 0.265 120.430 120.400 -0.392 0.000 2.057 137 K HA 0.030 4.355 4.320 0.010 0.000 0.207 137 K C 1.841 178.384 176.600 -0.096 0.000 1.049 137 K CA 1.929 58.082 56.287 -0.223 0.000 0.931 137 K CB -0.960 31.491 32.500 -0.082 0.000 0.714 137 K HN 0.401 nan 8.250 nan 0.000 0.440 138 A N 0.571 123.319 122.820 -0.121 0.000 1.948 138 A HA -0.239 4.087 4.320 0.010 0.000 0.220 138 A C 2.164 179.743 177.584 -0.009 0.000 1.177 138 A CA 2.232 54.237 52.037 -0.053 0.000 0.636 138 A CB -0.728 18.226 19.000 -0.075 0.000 0.815 138 A HN 0.548 nan 8.150 nan 0.000 0.449 139 E N -0.883 119.292 120.200 -0.042 0.000 2.072 139 E HA -0.118 4.237 4.350 0.010 0.000 0.191 139 E C 1.609 178.324 176.600 0.190 0.000 0.985 139 E CA 1.149 57.569 56.400 0.033 0.000 0.801 139 E CB -0.392 29.297 29.700 -0.018 0.000 0.750 139 E HN 0.481 nan 8.360 nan 0.000 0.452 140 F N 0.638 120.582 119.950 -0.011 0.000 2.171 140 F HA -0.080 4.453 4.527 0.009 0.000 0.300 140 F C 2.159 177.965 175.800 0.009 0.000 1.090 140 F CA 0.745 58.746 58.000 0.001 0.000 1.293 140 F CB -0.745 38.259 39.000 0.006 0.000 1.013 140 F HN 0.121 nan 8.300 nan 0.000 0.486 141 I N -0.692 119.995 120.570 0.195 0.000 2.315 141 I HA -0.280 3.896 4.170 0.010 0.000 0.248 141 I C 2.610 178.777 176.117 0.082 0.000 1.117 141 I CA 1.103 62.471 61.300 0.114 0.000 1.404 141 I CB -0.371 37.680 38.000 0.085 0.000 1.071 141 I HN -0.003 nan 8.210 nan 0.000 0.419 142 R N 0.755 121.303 120.500 0.079 0.000 2.073 142 R HA -0.158 4.188 4.340 0.010 0.000 0.229 142 R C 2.348 178.681 176.300 0.054 0.000 1.120 142 R CA 1.107 57.241 56.100 0.056 0.000 0.967 142 R CB -0.113 30.216 30.300 0.048 0.000 0.862 142 R HN 0.192 nan 8.270 nan 0.000 0.436 143 E N 0.179 120.422 120.200 0.072 0.000 2.268 143 E HA -0.123 4.233 4.350 0.010 0.000 0.195 143 E C 1.280 177.894 176.600 0.023 0.000 0.995 143 E CA 1.026 57.455 56.400 0.048 0.000 0.836 143 E CB 0.111 29.845 29.700 0.056 0.000 0.763 143 E HN 0.430 nan 8.360 nan 0.000 0.491 144 A N 0.565 123.403 122.820 0.030 0.000 2.168 144 A HA -0.113 4.213 4.320 0.010 0.000 0.215 144 A C 1.905 179.497 177.584 0.014 0.000 1.152 144 A CA 0.530 52.576 52.037 0.015 0.000 0.716 144 A CB -0.262 18.754 19.000 0.025 0.000 0.794 144 A HN 0.259 nan 8.150 nan 0.000 0.465 145 Q N -0.505 119.306 119.800 0.019 0.000 2.364 145 Q HA -0.007 4.339 4.340 0.010 0.000 0.207 145 Q C 1.606 177.611 176.000 0.009 0.000 0.970 145 Q CA 0.877 56.689 55.803 0.015 0.000 0.888 145 Q CB -0.283 28.466 28.738 0.018 0.000 0.951 145 Q HN 0.642 nan 8.270 nan 0.000 0.469 146 A N 0.206 123.029 122.820 0.006 0.000 2.359 146 A HA 0.387 4.713 4.320 0.010 0.000 0.240 146 A C 1.328 178.909 177.584 -0.005 0.000 1.306 146 A CA 0.507 52.545 52.037 0.000 0.000 0.898 146 A CB -0.528 18.471 19.000 -0.001 0.000 0.956 146 A HN 0.415 nan 8.150 nan 0.000 0.497 147 G N -0.596 108.202 108.800 -0.003 0.000 2.162 147 G HA2 -0.262 3.703 3.960 0.010 0.000 0.260 147 G HA3 -0.262 3.703 3.960 0.010 0.000 0.260 147 G C 0.478 175.371 174.900 -0.012 0.000 0.976 147 G CA 0.945 46.042 45.100 -0.006 0.000 0.655 147 G HN 1.468 nan 8.290 nan 0.000 0.533 148 T N -2.210 112.334 114.554 -0.016 0.000 2.952 148 T HA 0.657 5.013 4.350 0.010 0.000 0.286 148 T C 0.001 174.687 174.700 -0.024 0.000 1.024 148 T CA -0.090 61.995 62.100 -0.024 0.000 1.029 148 T CB 2.488 71.336 68.868 -0.033 0.000 1.094 148 T HN 0.402 nan 8.240 nan 0.000 0.515 149 E N 1.085 121.268 120.200 -0.028 0.000 2.417 149 E HA 0.014 4.370 4.350 0.010 0.000 0.261 149 E C 0.311 176.890 176.600 -0.035 0.000 1.000 149 E CA -0.128 56.258 56.400 -0.024 0.000 0.919 149 E CB 0.394 30.078 29.700 -0.026 0.000 0.955 149 E HN 0.603 nan 8.360 nan 0.000 0.455 150 Q N 3.872 123.661 119.800 -0.018 0.000 2.333 150 Q HA -0.022 4.324 4.340 0.010 0.000 0.299 150 Q C -0.654 175.305 176.000 -0.068 0.000 1.067 150 Q CA -0.024 55.765 55.803 -0.024 0.000 0.943 150 Q CB 0.516 29.271 28.738 0.028 0.000 1.233 150 Q HN 0.588 nan 8.270 nan 0.000 0.401 151 L N 4.264 125.369 121.223 -0.197 0.000 2.417 151 L HA 0.196 4.542 4.340 0.010 0.000 0.268 151 L C 0.006 176.793 176.870 -0.138 0.000 1.158 151 L CA -0.302 54.325 54.840 -0.355 0.000 0.819 151 L CB 0.425 41.877 42.059 -1.012 0.000 1.112 151 L HN 0.608 nan 8.230 nan 0.000 0.458 152 L N 3.223 124.431 121.223 -0.025 0.000 2.399 152 L HA 0.421 4.767 4.340 0.010 0.000 0.266 152 L C -0.527 176.475 176.870 0.219 0.000 1.114 152 L CA -0.483 54.435 54.840 0.129 0.000 0.804 152 L CB 1.417 43.587 42.059 0.184 0.000 1.146 152 L HN 0.374 nan 8.230 nan 0.000 0.451 153 L N 2.294 123.620 121.223 0.171 0.000 2.406 153 L HA 0.594 4.940 4.340 0.010 0.000 0.272 153 L C -0.353 176.424 176.870 -0.154 0.000 0.980 153 L CA 0.207 55.118 54.840 0.119 0.000 0.831 153 L CB 1.782 43.928 42.059 0.145 0.000 1.253 153 L HN 0.737 nan 8.230 nan 0.000 0.406 154 S N 3.418 118.974 115.700 -0.239 0.000 2.732 154 S HA 1.049 5.525 4.470 0.010 0.000 0.293 154 S C -0.956 173.544 174.600 -0.167 0.000 1.159 154 S CA -0.216 57.704 58.200 -0.467 0.000 0.847 154 S CB 1.879 64.415 63.200 -1.106 0.000 1.169 154 S HN 1.367 nan 8.310 nan 0.000 0.501 155 A N -0.035 122.717 122.820 -0.115 0.000 2.517 155 A HA 0.850 5.176 4.320 0.010 0.000 0.297 155 A C -0.541 177.089 177.584 0.077 0.000 1.050 155 A CA -0.379 51.670 52.037 0.020 0.000 0.694 155 A CB 1.059 20.075 19.000 0.026 0.000 1.277 155 A HN 1.864 nan 8.150 nan 0.000 0.400 156 A N 1.396 124.288 122.820 0.119 0.000 2.289 156 A HA 0.653 4.979 4.320 0.010 0.000 0.298 156 A C -0.418 177.196 177.584 0.050 0.000 1.208 156 A CA -0.299 51.810 52.037 0.119 0.000 0.845 156 A CB 0.285 19.353 19.000 0.113 0.000 1.125 156 A HN 1.357 nan 8.150 nan 0.000 0.517 157 V N 2.244 122.149 119.914 -0.015 0.000 2.604 157 V HA 0.426 4.551 4.120 0.010 0.000 0.305 157 V C 0.801 176.823 176.094 -0.121 0.000 1.043 157 V CA -0.584 61.617 62.300 -0.165 0.000 0.888 157 V CB 1.911 33.495 31.823 -0.397 0.000 0.995 157 V HN 1.024 nan 8.190 nan 0.000 0.429 158 S N 2.734 118.402 115.700 -0.053 0.000 2.573 158 S HA 0.349 4.824 4.470 0.010 0.000 0.277 158 S C 0.933 175.470 174.600 -0.105 0.000 1.346 158 S CA 0.366 58.550 58.200 -0.027 0.000 1.034 158 S CB 1.057 64.202 63.200 -0.091 0.000 0.879 158 S HN 1.134 nan 8.310 nan 0.000 0.528 159 A N 3.229 126.012 122.820 -0.062 0.000 2.535 159 A HA 0.484 4.809 4.320 0.010 0.000 0.273 159 A C 0.781 178.493 177.584 0.214 0.000 1.267 159 A CA 0.101 52.179 52.037 0.068 0.000 0.940 159 A CB -0.266 18.786 19.000 0.087 0.000 1.101 159 A HN 0.916 nan 8.150 nan 0.000 0.521 160 G N 0.111 108.972 108.800 0.101 0.000 2.350 160 G HA2 0.338 4.304 3.960 0.010 0.000 0.306 160 G HA3 0.338 4.304 3.960 0.010 0.000 0.306 160 G C 0.825 175.756 174.900 0.051 0.000 1.094 160 G CA -0.351 44.822 45.100 0.121 0.000 0.953 160 G HN 0.103 nan 8.290 nan 0.000 0.420 161 K N 2.547 122.957 120.400 0.016 0.000 2.066 161 K HA -0.240 4.085 4.320 0.010 0.000 0.221 161 K C 2.205 178.748 176.600 -0.094 0.000 1.056 161 K CA 1.624 57.825 56.287 -0.144 0.000 0.950 161 K CB -0.249 31.914 32.500 -0.561 0.000 0.726 161 K HN 0.656 nan 8.250 nan 0.000 0.456 162 I N 0.241 120.750 120.570 -0.101 0.000 2.179 162 I HA -0.284 3.892 4.170 0.010 0.000 0.242 162 I C 2.486 178.592 176.117 -0.018 0.000 1.088 162 I CA 1.238 62.503 61.300 -0.059 0.000 1.357 162 I CB -0.353 37.619 38.000 -0.047 0.000 1.051 162 I HN 0.206 nan 8.210 nan 0.000 0.409 163 A N 1.069 123.874 122.820 -0.025 0.000 1.883 163 A HA -0.210 4.116 4.320 0.010 0.000 0.217 163 A C 2.313 179.961 177.584 0.106 0.000 1.186 163 A CA 1.636 53.660 52.037 -0.021 0.000 0.624 163 A CB -0.887 18.034 19.000 -0.131 0.000 0.822 163 A HN 0.375 nan 8.150 nan 0.000 0.444 164 I N -0.254 120.400 120.570 0.140 0.000 2.127 164 I HA -0.268 3.908 4.170 0.010 0.000 0.241 164 I C 1.999 178.235 176.117 0.198 0.000 1.075 164 I CA 1.752 63.190 61.300 0.231 0.000 1.334 164 I CB -0.510 37.582 38.000 0.155 0.000 1.040 164 I HN 0.270 nan 8.210 nan 0.000 0.405 165 D N 0.219 120.702 120.400 0.138 0.000 2.144 165 D HA -0.194 4.452 4.640 0.010 0.000 0.199 165 D C 2.203 178.524 176.300 0.035 0.000 0.984 165 D CA 0.976 55.032 54.000 0.093 0.000 0.834 165 D CB -0.287 40.557 40.800 0.074 0.000 0.955 165 D HN 0.254 nan 8.370 nan 0.000 0.465 166 R N 0.097 120.604 120.500 0.012 0.000 2.073 166 R HA -0.041 4.304 4.340 0.010 0.000 0.229 166 R C 1.630 177.874 176.300 -0.093 0.000 1.120 166 R CA 1.552 57.630 56.100 -0.036 0.000 0.967 166 R CB -0.076 30.200 30.300 -0.041 0.000 0.862 166 R HN 0.192 nan 8.270 nan 0.000 0.436 167 G N -1.216 107.497 108.800 -0.146 0.000 3.441 167 G HA2 0.150 4.115 3.960 0.010 0.000 0.263 167 G HA3 0.150 4.115 3.960 0.010 0.000 0.263 167 G C -0.688 173.914 174.900 -0.495 0.000 1.014 167 G CA -0.295 44.587 45.100 -0.363 0.000 0.833 167 G HN 0.127 nan 8.290 nan 0.000 0.514 168 Y N 0.063 120.285 120.300 -0.130 0.000 2.409 168 Y HA 0.442 4.998 4.550 0.009 0.000 0.343 168 Y C -0.748 175.095 175.900 -0.095 0.000 0.973 168 Y CA -1.381 56.645 58.100 -0.124 0.000 1.064 168 Y CB 2.329 40.726 38.460 -0.104 0.000 1.207 168 Y HN -0.080 nan 8.280 nan 0.000 0.452 169 D N 3.602 124.035 120.400 0.055 0.000 2.781 169 D HA 0.161 4.807 4.640 0.010 0.000 0.254 169 D C 1.128 177.440 176.300 0.020 0.000 1.213 169 D CA 0.059 54.066 54.000 0.012 0.000 0.994 169 D CB 0.081 40.875 40.800 -0.010 0.000 1.019 169 D HN 0.450 nan 8.370 nan 0.000 0.514 170 I N 1.183 121.761 120.570 0.014 0.000 2.181 170 I HA -0.333 3.843 4.170 0.010 0.000 0.247 170 I C 2.228 178.320 176.117 -0.041 0.000 1.081 170 I CA 1.152 62.436 61.300 -0.026 0.000 1.340 170 I CB -1.370 36.582 38.000 -0.081 0.000 1.036 170 I HN 0.285 nan 8.210 nan 0.000 0.417 171 A N -0.231 122.559 122.820 -0.050 0.000 1.972 171 A HA -0.194 4.132 4.320 0.010 0.000 0.219 171 A C 2.246 179.802 177.584 -0.047 0.000 1.169 171 A CA 1.209 53.213 52.037 -0.055 0.000 0.635 171 A CB -0.289 18.678 19.000 -0.056 0.000 0.810 171 A HN 0.430 nan 8.150 nan 0.000 0.446 172 Q N -0.061 119.727 119.800 -0.020 0.000 1.937 172 Q HA -0.083 4.263 4.340 0.010 0.000 0.198 172 Q C 2.323 178.333 176.000 0.016 0.000 0.977 172 Q CA 1.515 57.321 55.803 0.004 0.000 0.836 172 Q CB -0.808 27.957 28.738 0.045 0.000 0.899 172 Q HN 0.863 nan 8.270 nan 0.000 0.437 173 I N -0.995 119.615 120.570 0.067 0.000 2.381 173 I HA -0.254 3.922 4.170 0.010 0.000 0.255 173 I C 1.943 178.077 176.117 0.029 0.000 1.140 173 I CA 1.530 62.889 61.300 0.098 0.000 1.404 173 I CB -0.474 37.578 38.000 0.087 0.000 1.075 173 I HN -0.092 nan 8.210 nan 0.000 0.433 174 S N 1.504 117.189 115.700 -0.024 0.000 2.399 174 S HA -0.095 4.381 4.470 0.010 0.000 0.231 174 S C 1.962 176.510 174.600 -0.087 0.000 1.022 174 S CA 1.471 59.645 58.200 -0.043 0.000 0.983 174 S CB -0.314 62.857 63.200 -0.048 0.000 0.803 174 S HN 0.628 nan 8.310 nan 0.000 0.480 175 R N 0.369 120.751 120.500 -0.196 0.000 2.148 175 R HA 0.030 4.376 4.340 0.010 0.000 0.223 175 R C 1.409 177.500 176.300 -0.349 0.000 1.088 175 R CA 1.083 56.995 56.100 -0.313 0.000 0.985 175 R CB -0.514 29.510 30.300 -0.459 0.000 0.880 175 R HN 0.495 nan 8.270 nan 0.000 0.451 176 H N 0.528 119.599 119.070 0.002 0.000 2.547 176 H HA 0.251 4.813 4.556 0.009 0.000 0.272 176 H C 0.646 175.972 175.328 -0.002 0.000 0.971 176 H CA 0.155 56.203 56.048 0.000 0.000 1.245 176 H CB 0.326 30.081 29.762 -0.010 0.000 1.440 176 H HN 0.032 nan 8.280 nan 0.000 0.540 177 L N 1.561 122.830 121.223 0.077 0.000 2.312 177 L HA 0.112 4.458 4.340 0.010 0.000 0.281 177 L C 1.213 178.088 176.870 0.009 0.000 1.070 177 L CA -0.401 54.448 54.840 0.015 0.000 0.805 177 L CB 1.469 43.514 42.059 -0.023 0.000 1.174 177 L HN -0.028 nan 8.230 nan 0.000 0.434 178 D N 2.447 122.841 120.400 -0.010 0.000 2.178 178 D HA -0.059 4.587 4.640 0.010 0.000 0.201 178 D C -0.132 176.296 176.300 0.213 0.000 0.980 178 D CA 1.646 55.702 54.000 0.093 0.000 0.842 178 D CB 0.224 41.110 40.800 0.143 0.000 0.948 178 D HN 0.373 nan 8.370 nan 0.000 0.472 179 F N -1.580 118.389 119.950 0.031 0.000 2.744 179 F HA 0.489 5.021 4.527 0.009 0.000 0.311 179 F C -1.709 174.107 175.800 0.027 0.000 1.144 179 F CA -1.317 56.690 58.000 0.011 0.000 0.938 179 F CB 0.884 39.867 39.000 -0.029 0.000 1.292 179 F HN -0.388 nan 8.300 nan 0.000 0.444 180 I N 2.078 122.784 120.570 0.227 0.000 2.465 180 I HA 0.445 4.621 4.170 0.010 0.000 0.291 180 I C -0.761 175.479 176.117 0.205 0.000 1.014 180 I CA -0.842 60.535 61.300 0.128 0.000 1.093 180 I CB 2.321 40.349 38.000 0.047 0.000 1.267 180 I HN 0.651 nan 8.210 nan 0.000 0.431 181 S N 6.826 122.648 115.700 0.204 0.000 2.429 181 S HA 0.490 4.966 4.470 0.010 0.000 0.302 181 S C -0.256 174.417 174.600 0.121 0.000 1.115 181 S CA -0.588 57.749 58.200 0.229 0.000 1.095 181 S CB 0.999 64.410 63.200 0.352 0.000 0.987 181 S HN 0.381 nan 8.310 nan 0.000 0.474 182 L N 3.985 125.262 121.223 0.089 0.000 2.278 182 L HA 0.307 4.653 4.340 0.010 0.000 0.287 182 L C -0.119 176.702 176.870 -0.082 0.000 1.072 182 L CA -0.410 54.435 54.840 0.008 0.000 0.819 182 L CB 0.512 42.592 42.059 0.035 0.000 1.176 182 L HN 0.578 nan 8.230 nan 0.000 0.435 183 L N 4.452 125.548 121.223 -0.212 0.000 2.416 183 L HA 0.042 4.387 4.340 0.010 0.000 0.243 183 L C 0.810 177.249 176.870 -0.719 0.000 1.373 183 L CA -0.146 54.335 54.840 -0.598 0.000 1.227 183 L CB -0.755 41.072 42.059 -0.388 0.000 1.428 183 L HN 0.648 nan 8.230 nan 0.000 0.425 184 T N -2.369 111.890 114.554 -0.491 0.000 4.099 184 T HA 0.149 4.504 4.350 0.010 0.000 0.223 184 T C 0.263 174.795 174.700 -0.280 0.000 0.968 184 T CA -0.309 61.602 62.100 -0.315 0.000 0.966 184 T CB -0.720 68.172 68.868 0.040 0.000 1.328 184 T HN 0.525 nan 8.240 nan 0.000 0.783 185 Y N -2.126 117.997 120.300 -0.296 0.000 3.022 185 Y HA 0.493 5.049 4.550 0.010 0.000 0.275 185 Y C -0.199 175.699 175.900 -0.003 0.000 1.071 185 Y CA -1.631 56.414 58.100 -0.091 0.000 1.276 185 Y CB -0.326 38.208 38.460 0.122 0.000 1.325 185 Y HN 0.312 nan 8.280 nan 0.000 0.594 186 D N 0.387 120.635 120.400 -0.254 0.000 2.943 186 D HA 0.293 4.939 4.640 0.010 0.000 0.347 186 D C -0.111 176.134 176.300 -0.092 0.000 1.305 186 D CA -0.361 53.626 54.000 -0.023 0.000 0.870 186 D CB -0.385 40.426 40.800 0.017 0.000 1.081 186 D HN 0.155 nan 8.370 nan 0.000 0.492 187 F N -0.200 119.902 119.950 0.252 0.000 2.714 187 F HA 0.239 4.772 4.527 0.009 0.000 0.294 187 F C 1.221 177.159 175.800 0.231 0.000 1.120 187 F CA 0.136 58.251 58.000 0.191 0.000 1.398 187 F CB 0.055 39.152 39.000 0.161 0.000 1.120 187 F HN 0.246 nan 8.300 nan 0.000 0.589 188 H N -1.504 117.782 119.070 0.359 0.000 2.959 188 H HA 0.573 5.135 4.556 0.009 0.000 0.296 188 H C 0.752 176.252 175.328 0.287 0.000 1.421 188 H CA 0.160 56.384 56.048 0.294 0.000 1.206 188 H CB 1.541 31.486 29.762 0.306 0.000 1.891 188 H HN 0.147 nan 8.280 nan 0.000 0.573 189 G N 0.668 109.937 108.800 0.782 0.000 2.833 189 G HA2 -0.105 3.860 3.960 0.010 0.000 0.260 189 G HA3 -0.105 3.860 3.960 0.010 0.000 0.260 189 G C 0.502 175.521 174.900 0.198 0.000 1.412 189 G CA 1.425 46.852 45.100 0.545 0.000 0.986 189 G HN 1.617 nan 8.290 nan 0.000 0.556 190 A N -1.236 121.656 122.820 0.120 0.000 2.580 190 A HA -0.052 4.273 4.320 0.010 0.000 0.302 190 A C 0.927 178.674 177.584 0.271 0.000 1.494 190 A CA 2.150 54.285 52.037 0.162 0.000 0.822 190 A CB -2.202 16.878 19.000 0.132 0.000 1.016 190 A HN 2.319 nan 8.150 nan 0.000 0.429 191 W N -2.322 119.038 121.300 0.100 0.000 6.691 191 W HA -0.195 4.469 4.660 0.008 0.000 0.427 191 W C 0.711 177.249 176.519 0.032 0.000 1.730 191 W CA 1.347 58.743 57.345 0.086 0.000 1.093 191 W CB -0.858 28.636 29.460 0.056 0.000 2.949 191 W HN 0.785 nan 8.180 nan 0.000 1.461 192 R N 2.026 122.636 120.500 0.183 0.000 2.412 192 R HA 0.126 4.471 4.340 0.010 0.000 0.304 192 R C 0.993 177.312 176.300 0.032 0.000 1.066 192 R CA -0.734 55.400 56.100 0.056 0.000 0.923 192 R CB 0.804 31.053 30.300 -0.085 0.000 1.156 192 R HN 0.115 nan 8.270 nan 0.000 0.513 193 Q N 1.584 121.413 119.800 0.049 0.000 1.497 193 Q HA -0.118 4.228 4.340 0.010 0.000 0.076 193 Q C -0.341 175.610 176.000 -0.082 0.000 0.585 193 Q CA 0.775 56.580 55.803 0.003 0.000 1.123 193 Q CB -0.711 28.039 28.738 0.021 0.000 1.326 193 Q HN 0.470 nan 8.270 nan 0.000 0.294 194 T N -1.818 112.654 114.554 -0.138 0.000 3.097 194 T HA 0.305 4.661 4.350 0.010 0.000 0.332 194 T C -0.670 173.774 174.700 -0.426 0.000 1.269 194 T CA -0.605 61.364 62.100 -0.219 0.000 1.076 194 T CB 1.900 70.698 68.868 -0.116 0.000 1.209 194 T HN 0.056 nan 8.240 nan 0.000 0.474 195 V N 3.680 123.176 119.914 -0.697 0.000 2.872 195 V HA 0.635 4.761 4.120 0.010 0.000 0.307 195 V C 1.110 176.635 176.094 -0.948 0.000 1.072 195 V CA 1.667 63.279 62.300 -1.147 0.000 1.148 195 V CB 0.938 31.857 31.823 -1.508 0.000 0.954 195 V HN 1.249 nan 8.190 nan 0.000 0.490 196 G N 3.156 111.384 108.800 -0.953 0.000 2.489 196 G HA2 0.304 4.270 3.960 0.010 0.000 0.291 196 G HA3 0.304 4.270 3.960 0.010 0.000 0.291 196 G C -1.701 173.161 174.900 -0.062 0.000 1.487 196 G CA -0.684 44.016 45.100 -0.667 0.000 0.795 196 G HN 0.715 nan 8.290 nan 0.000 0.513 197 H N 0.249 119.399 119.070 0.133 0.000 2.552 197 H HA 0.262 4.824 4.556 0.010 0.000 0.311 197 H C 1.456 176.964 175.328 0.300 0.000 1.071 197 H CA 0.105 56.343 56.048 0.316 0.000 1.307 197 H CB 1.226 31.172 29.762 0.307 0.000 1.416 197 H HN 0.829 nan 8.280 nan 0.000 0.464 198 H N 1.410 120.654 119.070 0.289 0.000 2.495 198 H HA 0.005 4.566 4.556 0.010 0.000 0.287 198 H C 0.611 176.199 175.328 0.433 0.000 1.033 198 H CA 0.815 57.081 56.048 0.363 0.000 1.307 198 H CB 0.445 30.337 29.762 0.217 0.000 1.401 198 H HN 0.304 nan 8.280 nan 0.000 0.555 199 S N -0.008 115.734 115.700 0.070 0.000 2.617 199 S HA 0.329 4.804 4.470 0.010 0.000 0.237 199 S C -2.853 171.824 174.600 0.128 0.000 1.142 199 S CA -1.338 56.940 58.200 0.130 0.000 1.167 199 S CB 0.409 63.551 63.200 -0.096 0.000 1.068 199 S HN 0.175 nan 8.310 nan 0.000 0.470 200 P HA 0.137 nan 4.420 nan 0.000 0.271 200 P C 0.864 178.094 177.300 -0.116 0.000 1.216 200 P CA -0.508 62.529 63.100 -0.104 0.000 0.776 200 P CB 1.312 32.964 31.700 -0.080 0.000 0.881 201 L N 3.597 124.662 121.223 -0.264 0.000 2.034 201 L HA 0.169 4.515 4.340 0.010 0.000 0.203 201 L C 0.606 177.121 176.870 -0.592 0.000 1.074 201 L CA 1.817 56.343 54.840 -0.524 0.000 0.748 201 L CB -0.711 40.907 42.059 -0.735 0.000 0.905 201 L HN 0.151 nan 8.230 nan 0.000 0.439 202 F N -1.284 118.583 119.950 -0.139 0.000 2.461 202 F HA 0.543 5.075 4.527 0.009 0.000 0.332 202 F C 1.564 177.297 175.800 -0.111 0.000 1.073 202 F CA -0.546 57.388 58.000 -0.110 0.000 1.017 202 F CB 0.434 39.392 39.000 -0.069 0.000 1.301 202 F HN -0.023 nan 8.300 nan 0.000 0.492 203 A N 0.985 123.930 122.820 0.207 0.000 1.948 203 A HA 0.157 4.483 4.320 0.010 0.000 0.220 203 A C 1.408 178.973 177.584 -0.031 0.000 1.177 203 A CA 1.114 53.171 52.037 0.033 0.000 0.636 203 A CB -1.629 17.384 19.000 0.021 0.000 0.815 203 A HN 1.567 nan 8.150 nan 0.000 0.449 204 G N 0.454 109.249 108.800 -0.008 0.000 2.345 204 G HA2 -0.299 3.666 3.960 0.010 0.000 0.205 204 G HA3 -0.299 3.666 3.960 0.010 0.000 0.205 204 G C 0.283 175.145 174.900 -0.064 0.000 0.534 204 G CA 0.332 45.406 45.100 -0.044 0.000 0.968 204 G HN 0.961 nan 8.290 nan 0.000 0.330 205 N N 0.822 119.492 118.700 -0.050 0.000 2.430 205 N HA -0.107 4.639 4.740 0.010 0.000 0.186 205 N C 0.610 176.084 175.510 -0.061 0.000 1.032 205 N CA 0.762 53.779 53.050 -0.056 0.000 0.893 205 N CB 0.268 38.729 38.487 -0.043 0.000 0.957 205 N HN 0.688 nan 8.380 nan 0.000 0.442 206 E N 1.564 121.728 120.200 -0.061 0.000 2.374 206 E HA 0.022 4.377 4.350 0.010 0.000 0.260 206 E C -0.457 176.091 176.600 -0.087 0.000 1.101 206 E CA -0.314 56.048 56.400 -0.063 0.000 0.907 206 E CB 0.516 30.186 29.700 -0.050 0.000 1.014 206 E HN 0.129 nan 8.360 nan 0.000 0.427 207 D N 0.570 120.922 120.400 -0.080 0.000 5.634 207 D HA -0.183 4.462 4.640 0.010 0.000 0.182 207 D C -0.524 175.711 176.300 -0.108 0.000 1.159 207 D CA 0.854 54.800 54.000 -0.089 0.000 0.915 207 D CB -0.530 40.217 40.800 -0.089 0.000 1.209 207 D HN 0.454 nan 8.370 nan 0.000 0.675 208 A N 1.128 123.880 122.820 -0.113 0.000 2.392 208 A HA 0.882 5.208 4.320 0.010 0.000 0.283 208 A C 0.990 178.483 177.584 -0.152 0.000 1.197 208 A CA 0.515 52.466 52.037 -0.144 0.000 0.895 208 A CB 1.932 20.838 19.000 -0.158 0.000 1.400 208 A HN 0.899 nan 8.150 nan 0.000 0.461 209 S N -2.338 113.240 115.700 -0.203 0.000 1.863 209 S HA -0.037 4.438 4.470 0.010 0.000 0.094 209 S C 0.647 175.060 174.600 -0.312 0.000 0.493 209 S CA 0.850 58.923 58.200 -0.213 0.000 1.576 209 S CB -1.372 61.741 63.200 -0.145 0.000 0.815 209 S HN 1.135 nan 8.310 nan 0.000 0.286 213 F N 1.141 120.752 119.950 -0.566 0.000 2.727 213 F HA 0.334 4.866 4.527 0.009 0.000 0.302 213 F C 0.902 176.364 175.800 -0.563 0.000 1.097 213 F CA 0.101 57.583 58.000 -0.864 0.000 1.330 213 F CB 0.763 39.235 39.000 -0.880 0.000 1.084 213 F HN -0.246 nan 8.300 nan 0.000 0.578 214 S N 1.822 117.290 115.700 -0.386 0.000 3.700 214 S HA 0.286 4.762 4.470 0.010 0.000 0.192 214 S C -0.414 173.560 174.600 -1.044 0.000 1.430 214 S CA -0.430 57.347 58.200 -0.705 0.000 0.999 214 S CB -1.168 61.871 63.200 -0.269 0.000 1.411 214 S HN 0.546 nan 8.310 nan 0.000 0.491 215 N N -1.311 116.681 118.700 -1.180 0.000 2.745 215 N HA 0.529 5.274 4.740 0.010 0.000 0.256 215 N C 0.434 175.742 175.510 -0.337 0.000 1.268 215 N CA -0.680 51.964 53.050 -0.676 0.000 0.887 215 N CB 0.464 38.791 38.487 -0.267 0.000 1.575 215 N HN -0.054 nan 8.380 nan 0.000 0.496 216 A N 0.519 123.329 122.820 -0.016 0.000 1.917 216 A HA -0.291 4.035 4.320 0.010 0.000 0.219 216 A C 1.661 179.234 177.584 -0.019 0.000 1.182 216 A CA 2.441 54.517 52.037 0.065 0.000 0.633 216 A CB -1.250 17.692 19.000 -0.097 0.000 0.819 216 A HN 0.920 nan 8.150 nan 0.000 0.448 217 D N -1.996 118.317 120.400 -0.145 0.000 2.103 217 D HA -0.248 4.397 4.640 0.010 0.000 0.190 217 D C 1.746 178.150 176.300 0.173 0.000 0.997 217 D CA 1.947 55.971 54.000 0.040 0.000 0.833 217 D CB -0.342 40.557 40.800 0.165 0.000 0.961 217 D HN 0.510 nan 8.370 nan 0.000 0.447 218 Y N 0.928 121.259 120.300 0.051 0.000 2.014 218 Y HA -0.297 4.259 4.550 0.010 0.000 0.270 218 Y C 2.335 178.305 175.900 0.117 0.000 1.145 218 Y CA 2.594 60.742 58.100 0.081 0.000 1.106 218 Y CB -1.065 37.422 38.460 0.045 0.000 0.968 218 Y HN 0.083 nan 8.280 nan 0.000 0.484 219 A N -0.315 122.676 122.820 0.285 0.000 1.906 219 A HA -0.344 3.982 4.320 0.010 0.000 0.222 219 A C 2.372 180.044 177.584 0.146 0.000 1.282 219 A CA 3.201 55.386 52.037 0.246 0.000 0.675 219 A CB -1.653 17.535 19.000 0.313 0.000 0.838 219 A HN 0.429 nan 8.150 nan 0.000 0.469 220 V N -0.402 119.600 119.914 0.147 0.000 2.261 220 V HA -0.256 3.869 4.120 0.010 0.000 0.246 220 V C 2.817 178.957 176.094 0.077 0.000 1.047 220 V CA 2.491 64.873 62.300 0.137 0.000 1.015 220 V CB -0.957 31.008 31.823 0.236 0.000 0.642 220 V HN 0.625 nan 8.190 nan 0.000 0.446 221 S N -1.209 114.527 115.700 0.060 0.000 2.359 221 S HA -0.261 4.215 4.470 0.010 0.000 0.224 221 S C 1.884 176.452 174.600 -0.054 0.000 1.035 221 S CA 2.064 60.263 58.200 -0.002 0.000 1.018 221 S CB -0.514 62.675 63.200 -0.019 0.000 0.876 221 S HN 0.636 nan 8.310 nan 0.000 0.448 222 Y N 1.977 122.092 120.300 -0.309 0.000 2.145 222 Y HA -0.118 4.438 4.550 0.010 0.000 0.286 222 Y C 2.340 178.149 175.900 -0.153 0.000 1.145 222 Y CA 1.225 59.134 58.100 -0.319 0.000 1.148 222 Y CB -0.462 37.739 38.460 -0.431 0.000 0.981 222 Y HN 0.112 nan 8.280 nan 0.000 0.507 223 M N -0.377 119.185 119.600 -0.064 0.000 2.082 223 M HA -0.263 4.223 4.480 0.010 0.000 0.258 223 M C 2.334 178.558 176.300 -0.126 0.000 1.069 223 M CA 1.620 56.852 55.300 -0.113 0.000 1.102 223 M CB -1.441 31.140 32.600 -0.032 0.000 1.336 223 M HN 0.358 nan 8.290 nan 0.000 0.404 224 L N -0.798 120.379 121.223 -0.076 0.000 2.012 224 L HA -0.263 4.083 4.340 0.010 0.000 0.210 224 L C 2.762 179.573 176.870 -0.098 0.000 1.073 224 L CA 1.575 56.376 54.840 -0.064 0.000 0.748 224 L CB -0.743 41.297 42.059 -0.032 0.000 0.891 224 L HN 0.341 nan 8.230 nan 0.000 0.431 225 R N 0.810 121.234 120.500 -0.127 0.000 2.083 225 R HA -0.188 4.158 4.340 0.010 0.000 0.237 225 R C 2.247 178.432 176.300 -0.192 0.000 1.137 225 R CA 1.546 57.561 56.100 -0.142 0.000 0.951 225 R CB -0.381 29.829 30.300 -0.151 0.000 0.851 225 R HN 0.324 nan 8.270 nan 0.000 0.434 226 L N -0.463 120.577 121.223 -0.305 0.000 2.450 226 L HA -0.040 4.305 4.340 0.010 0.000 0.224 226 L C 1.382 178.151 176.870 -0.167 0.000 1.149 226 L CA 1.183 55.849 54.840 -0.290 0.000 0.816 226 L CB -0.066 41.756 42.059 -0.395 0.000 0.932 226 L HN 0.805 nan 8.230 nan 0.000 0.449 227 G N -1.286 107.437 108.800 -0.128 0.000 2.227 227 G HA2 -0.142 3.824 3.960 0.010 0.000 0.168 227 G HA3 -0.142 3.824 3.960 0.010 0.000 0.168 227 G C 0.249 175.105 174.900 -0.073 0.000 1.006 227 G CA -0.213 44.833 45.100 -0.089 0.000 0.684 227 G HN 0.397 nan 8.290 nan 0.000 0.489 228 A N 1.290 124.065 122.820 -0.076 0.000 2.354 228 A HA 0.724 5.050 4.320 0.010 0.000 0.281 228 A C -1.846 175.717 177.584 -0.035 0.000 1.174 228 A CA -1.016 50.990 52.037 -0.052 0.000 0.828 228 A CB 0.278 19.247 19.000 -0.052 0.000 1.099 228 A HN 0.122 nan 8.150 nan 0.000 0.516 229 P HA 0.201 nan 4.420 nan 0.000 0.269 229 P C 0.888 178.190 177.300 0.003 0.000 1.209 229 P CA 0.351 63.443 63.100 -0.013 0.000 0.776 229 P CB 1.027 32.720 31.700 -0.012 0.000 0.876 230 A N 3.555 126.377 122.820 0.004 0.000 1.972 230 A HA -0.195 4.131 4.320 0.010 0.000 0.219 230 A C 1.498 179.098 177.584 0.027 0.000 1.169 230 A CA 1.729 53.776 52.037 0.017 0.000 0.635 230 A CB -1.253 17.754 19.000 0.011 0.000 0.810 230 A HN 0.706 nan 8.150 nan 0.000 0.446 231 N N -0.884 117.825 118.700 0.016 0.000 2.501 231 N HA -0.015 4.731 4.740 0.010 0.000 0.195 231 N C 0.564 176.097 175.510 0.038 0.000 1.213 231 N CA 0.778 53.838 53.050 0.017 0.000 0.864 231 N CB -0.090 38.397 38.487 -0.000 0.000 0.999 231 N HN 0.534 nan 8.380 nan 0.000 0.454 232 K N -0.630 119.802 120.400 0.053 0.000 2.554 232 K HA 0.284 4.610 4.320 0.010 0.000 0.211 232 K C -0.355 176.312 176.600 0.111 0.000 1.226 232 K CA -0.228 56.114 56.287 0.092 0.000 1.025 232 K CB 0.978 33.519 32.500 0.069 0.000 1.021 232 K HN 0.110 nan 8.250 nan 0.000 0.600 233 L N 2.084 123.356 121.223 0.082 0.000 2.312 233 L HA 0.351 4.697 4.340 0.010 0.000 0.281 233 L C -0.680 176.249 176.870 0.099 0.000 1.070 233 L CA -0.726 54.167 54.840 0.087 0.000 0.805 233 L CB 1.632 43.729 42.059 0.064 0.000 1.174 233 L HN -0.239 nan 8.230 nan 0.000 0.434 234 V N 4.995 124.980 119.914 0.119 0.000 2.483 234 V HA 0.314 4.439 4.120 0.010 0.000 0.297 234 V C 0.005 176.177 176.094 0.130 0.000 1.027 234 V CA -0.463 61.903 62.300 0.109 0.000 0.855 234 V CB 1.814 33.701 31.823 0.106 0.000 0.995 234 V HN 0.752 nan 8.190 nan 0.000 0.424 235 M N 3.532 123.207 119.600 0.126 0.000 2.185 235 M HA 0.545 5.031 4.480 0.010 0.000 0.357 235 M C 0.742 177.146 176.300 0.174 0.000 1.260 235 M CA -0.034 55.349 55.300 0.139 0.000 1.124 235 M CB 0.844 33.530 32.600 0.144 0.000 1.600 235 M HN 0.821 nan 8.290 nan 0.000 0.467 236 G N 6.109 115.024 108.800 0.192 0.000 2.380 236 G HA2 0.507 4.473 3.960 0.010 0.000 0.262 236 G HA3 0.507 4.473 3.960 0.010 0.000 0.262 236 G C -0.718 174.427 174.900 0.408 0.000 1.243 236 G CA -0.573 44.735 45.100 0.347 0.000 0.865 236 G HN 0.781 nan 8.290 nan 0.000 0.513 237 I N 3.750 124.557 120.570 0.395 0.000 2.418 237 I HA 0.243 4.419 4.170 0.010 0.000 0.287 237 I C -2.350 173.854 176.117 0.144 0.000 1.008 237 I CA -2.232 59.210 61.300 0.237 0.000 1.104 237 I CB 2.898 40.976 38.000 0.130 0.000 1.264 237 I HN 0.259 nan 8.210 nan 0.000 0.438 238 P HA 0.155 nan 4.420 nan 0.000 0.272 238 P C 0.104 177.301 177.300 -0.173 0.000 1.223 238 P CA 0.051 62.968 63.100 -0.306 0.000 0.784 238 P CB 0.802 32.206 31.700 -0.494 0.000 0.923 239 T N 0.677 115.182 114.554 -0.082 0.000 3.403 239 T HA 0.341 4.696 4.350 0.010 0.000 0.308 239 T C -0.781 174.023 174.700 0.175 0.000 0.952 239 T CA -0.149 61.979 62.100 0.047 0.000 0.970 239 T CB -0.461 68.476 68.868 0.115 0.000 1.189 239 T HN 0.352 nan 8.240 nan 0.000 0.528 240 F N -1.120 118.857 119.950 0.046 0.000 2.664 240 F HA 0.915 5.447 4.527 0.009 0.000 0.317 240 F C -0.105 175.729 175.800 0.057 0.000 1.108 240 F CA -1.568 56.440 58.000 0.013 0.000 0.957 240 F CB 0.714 39.693 39.000 -0.036 0.000 1.365 240 F HN -0.077 nan 8.300 nan 0.000 0.475 241 G N 0.313 109.165 108.800 0.086 0.000 2.569 241 G HA2 0.683 4.648 3.960 0.010 0.000 0.300 241 G HA3 0.683 4.648 3.960 0.010 0.000 0.300 241 G C -1.751 173.072 174.900 -0.129 0.000 1.269 241 G CA -1.376 43.723 45.100 -0.001 0.000 0.959 241 G HN 0.696 nan 8.290 nan 0.000 0.478 242 R N -0.106 120.214 120.500 -0.301 0.000 2.532 242 R HA 0.610 4.956 4.340 0.010 0.000 0.295 242 R C -0.279 175.764 176.300 -0.428 0.000 0.968 242 R CA -0.491 55.358 56.100 -0.418 0.000 0.916 242 R CB 1.935 31.909 30.300 -0.545 0.000 1.124 242 R HN 0.676 nan 8.270 nan 0.000 0.463 243 S N 1.602 116.971 115.700 -0.551 0.000 2.607 243 S HA 0.736 5.212 4.470 0.010 0.000 0.303 243 S C -0.632 173.571 174.600 -0.661 0.000 1.086 243 S CA -0.740 57.189 58.200 -0.452 0.000 0.995 243 S CB 1.331 64.333 63.200 -0.329 0.000 1.084 243 S HN 0.422 nan 8.310 nan 0.000 0.507 244 F N -0.451 119.556 119.950 0.094 0.000 2.601 244 F HA 0.460 4.992 4.527 0.008 0.000 0.309 244 F C 0.105 175.971 175.800 0.110 0.000 1.089 244 F CA -0.780 57.274 58.000 0.090 0.000 0.940 244 F CB 2.596 41.675 39.000 0.131 0.000 1.273 244 F HN 0.484 nan 8.300 nan 0.000 0.450 245 T N 4.034 118.751 114.554 0.273 0.000 2.733 245 T HA 0.471 4.827 4.350 0.010 0.000 0.294 245 T C -0.058 174.745 174.700 0.171 0.000 0.956 245 T CA -0.477 61.737 62.100 0.190 0.000 0.987 245 T CB 0.278 69.225 68.868 0.131 0.000 0.920 245 T HN 0.278 nan 8.240 nan 0.000 0.470 246 L N 2.372 123.692 121.223 0.163 0.000 2.426 246 L HA 0.356 4.702 4.340 0.010 0.000 0.271 246 L C 1.372 178.281 176.870 0.064 0.000 1.169 246 L CA -0.411 54.485 54.840 0.093 0.000 0.836 246 L CB 0.480 42.609 42.059 0.115 0.000 1.112 246 L HN 0.744 nan 8.230 nan 0.000 0.465 247 A N 1.514 124.349 122.820 0.026 0.000 2.348 247 A HA 0.252 4.577 4.320 0.010 0.000 0.224 247 A C 0.671 178.266 177.584 0.019 0.000 1.227 247 A CA 0.562 52.614 52.037 0.026 0.000 0.885 247 A CB 0.074 19.082 19.000 0.013 0.000 0.933 247 A HN 0.723 nan 8.150 nan 0.000 0.506 248 S N -1.789 113.920 115.700 0.015 0.000 2.671 248 S HA 0.394 4.870 4.470 0.010 0.000 0.277 248 S C 0.626 175.246 174.600 0.033 0.000 1.165 248 S CA 0.413 58.623 58.200 0.017 0.000 0.822 248 S CB 0.840 64.039 63.200 -0.002 0.000 1.150 248 S HN 0.606 nan 8.310 nan 0.000 0.479 249 S N -0.246 115.476 115.700 0.037 0.000 2.607 249 S HA 0.135 4.611 4.470 0.010 0.000 0.224 249 S C 0.635 175.270 174.600 0.059 0.000 0.969 249 S CA -0.020 58.213 58.200 0.056 0.000 0.927 249 S CB -0.544 62.686 63.200 0.050 0.000 0.772 249 S HN 0.731 nan 8.310 nan 0.000 0.533 250 K N 0.783 121.201 120.400 0.030 0.000 2.319 250 K HA 0.185 4.511 4.320 0.010 0.000 0.265 250 K C 0.061 176.681 176.600 0.033 0.000 1.000 250 K CA 0.447 56.745 56.287 0.019 0.000 0.943 250 K CB 0.501 32.987 32.500 -0.023 0.000 0.950 250 K HN 0.089 nan 8.250 nan 0.000 0.485 251 T N 1.431 116.023 114.554 0.063 0.000 2.992 251 T HA 0.038 4.394 4.350 0.010 0.000 0.255 251 T C -0.777 173.982 174.700 0.097 0.000 0.938 251 T CA -0.158 62.035 62.100 0.154 0.000 0.895 251 T CB 0.173 69.237 68.868 0.326 0.000 1.221 251 T HN 0.709 nan 8.240 nan 0.000 0.512 252 D N 1.498 121.920 120.400 0.037 0.000 2.393 252 D HA 0.332 4.978 4.640 0.010 0.000 0.246 252 D C 0.116 176.373 176.300 -0.072 0.000 1.275 252 D CA -0.621 53.401 54.000 0.037 0.000 0.979 252 D CB 0.196 41.027 40.800 0.052 0.000 1.101 252 D HN -0.068 nan 8.370 nan 0.000 0.505 253 V N 0.411 120.330 119.914 0.009 0.000 2.790 253 V HA 0.218 4.343 4.120 0.010 0.000 0.304 253 V C 1.787 177.793 176.094 -0.147 0.000 1.142 253 V CA 1.410 63.665 62.300 -0.075 0.000 1.282 253 V CB -0.252 31.554 31.823 -0.028 0.000 0.877 253 V HN 0.956 nan 8.190 nan 0.000 0.504 254 G N 2.800 111.470 108.800 -0.217 0.000 2.205 254 G HA2 -0.119 3.847 3.960 0.010 0.000 0.261 254 G HA3 -0.119 3.847 3.960 0.010 0.000 0.261 254 G C 0.512 175.283 174.900 -0.215 0.000 0.980 254 G CA 0.141 45.129 45.100 -0.187 0.000 0.632 254 G HN 1.936 nan 8.290 nan 0.000 0.533 255 A N 1.064 123.715 122.820 -0.281 0.000 2.584 255 A HA 0.480 4.806 4.320 0.010 0.000 0.239 255 A C -1.267 176.158 177.584 -0.265 0.000 1.043 255 A CA 0.334 52.210 52.037 -0.268 0.000 0.756 255 A CB -0.059 18.729 19.000 -0.354 0.000 0.963 255 A HN 0.260 nan 8.150 nan 0.000 0.511 256 P HA 0.217 nan 4.420 nan 0.000 0.264 256 P C -0.375 176.839 177.300 -0.143 0.000 1.193 256 P CA 0.140 63.161 63.100 -0.132 0.000 0.763 256 P CB 0.733 32.388 31.700 -0.074 0.000 0.810 257 V N 2.555 122.383 119.914 -0.143 0.000 2.994 257 V HA 0.396 4.522 4.120 0.010 0.000 0.318 257 V C 1.091 177.177 176.094 -0.013 0.000 1.085 257 V CA 0.247 62.478 62.300 -0.115 0.000 0.998 257 V CB 1.913 33.595 31.823 -0.234 0.000 1.063 257 V HN 0.594 nan 8.190 nan 0.000 0.447 258 S N 0.579 116.310 115.700 0.052 0.000 2.649 258 S HA 0.536 5.011 4.470 0.010 0.000 0.246 258 S C 0.216 174.901 174.600 0.142 0.000 1.057 258 S CA 0.675 58.926 58.200 0.085 0.000 1.051 258 S CB 0.360 63.606 63.200 0.076 0.000 1.018 258 S HN 1.690 nan 8.310 nan 0.000 0.569 259 G N 0.782 109.683 108.800 0.169 0.000 2.337 259 G HA2 0.364 4.330 3.960 0.010 0.000 0.298 259 G HA3 0.364 4.330 3.960 0.010 0.000 0.298 259 G C -3.524 171.467 174.900 0.151 0.000 1.335 259 G CA -0.756 44.457 45.100 0.188 0.000 0.875 259 G HN 0.118 nan 8.290 nan 0.000 0.579 260 P HA 0.383 nan 4.420 nan 0.000 0.272 260 P C 0.761 178.029 177.300 -0.053 0.000 1.248 260 P CA 0.564 63.583 63.100 -0.134 0.000 0.799 260 P CB 0.454 31.968 31.700 -0.310 0.000 0.997 261 G N -0.355 108.362 108.800 -0.138 0.000 2.507 261 G HA2 0.325 4.291 3.960 0.010 0.000 0.271 261 G HA3 0.325 4.291 3.960 0.010 0.000 0.271 261 G C -0.476 174.377 174.900 -0.077 0.000 1.189 261 G CA -0.433 44.619 45.100 -0.080 0.000 0.859 261 G HN 0.367 nan 8.290 nan 0.000 0.542 262 V N 3.071 122.965 119.914 -0.033 0.000 2.599 262 V HA 0.049 4.174 4.120 0.010 0.000 0.300 262 V C -1.365 174.696 176.094 -0.055 0.000 1.034 262 V CA -0.588 61.699 62.300 -0.022 0.000 1.115 262 V CB 1.039 32.871 31.823 0.014 0.000 0.934 262 V HN 0.586 nan 8.190 nan 0.000 0.485 263 P HA 0.102 nan 4.420 nan 0.000 0.267 263 P C 0.148 177.417 177.300 -0.051 0.000 1.201 263 P CA 0.304 63.371 63.100 -0.055 0.000 0.775 263 P CB 0.375 32.057 31.700 -0.030 0.000 0.854 264 G N 0.995 109.762 108.800 -0.055 0.000 2.476 264 G HA2 0.100 4.066 3.960 0.010 0.000 0.269 264 G HA3 0.100 4.066 3.960 0.010 0.000 0.269 264 G C 0.750 175.632 174.900 -0.031 0.000 1.195 264 G CA -0.512 44.566 45.100 -0.037 0.000 0.843 264 G HN 0.442 nan 8.290 nan 0.000 0.545 265 R N 0.490 120.943 120.500 -0.077 0.000 2.249 265 R HA -0.044 4.302 4.340 0.010 0.000 0.230 265 R C 1.013 177.055 176.300 -0.430 0.000 1.121 265 R CA 1.463 57.392 56.100 -0.284 0.000 0.997 265 R CB -0.086 29.950 30.300 -0.440 0.000 0.867 265 R HN 0.636 nan 8.270 nan 0.000 0.465 266 F N -2.661 117.346 119.950 0.095 0.000 2.619 266 F HA 0.076 4.610 4.527 0.011 0.000 0.281 266 F C 2.360 178.229 175.800 0.116 0.000 1.065 266 F CA 0.482 58.569 58.000 0.144 0.000 1.304 266 F CB 0.070 39.224 39.000 0.255 0.000 1.059 266 F HN -0.022 nan 8.300 nan 0.000 0.648 267 T N -2.453 112.233 114.554 0.219 0.000 3.035 267 T HA 0.038 4.394 4.350 0.010 0.000 0.259 267 T C 0.856 175.613 174.700 0.095 0.000 1.078 267 T CA 0.149 62.331 62.100 0.136 0.000 1.132 267 T CB -0.384 68.507 68.868 0.039 0.000 0.900 267 T HN 0.066 nan 8.240 nan 0.000 0.480 268 K N 1.583 122.015 120.400 0.055 0.000 3.451 268 K HA -0.176 4.150 4.320 0.010 0.000 0.273 268 K C -0.386 176.223 176.600 0.014 0.000 0.944 268 K CA 0.612 56.915 56.287 0.027 0.000 0.734 268 K CB -1.253 31.274 32.500 0.045 0.000 1.437 268 K HN 0.729 nan 8.250 nan 0.000 0.454 269 E N 1.341 121.531 120.200 -0.016 0.000 2.302 269 E HA 0.144 4.500 4.350 0.010 0.000 0.263 269 E C -1.014 175.539 176.600 -0.079 0.000 0.897 269 E CA -0.807 55.570 56.400 -0.039 0.000 0.809 269 E CB 0.978 30.652 29.700 -0.043 0.000 1.270 269 E HN 0.092 nan 8.360 nan 0.000 0.410 270 K N 1.496 121.854 120.400 -0.070 0.000 2.550 270 K HA 0.048 4.374 4.320 0.010 0.000 0.280 270 K C 0.927 177.419 176.600 -0.179 0.000 0.987 270 K CA 1.491 57.718 56.287 -0.100 0.000 1.048 270 K CB 0.248 32.712 32.500 -0.060 0.000 0.879 270 K HN 0.869 nan 8.250 nan 0.000 0.491 271 G N 1.956 110.620 108.800 -0.228 0.000 2.179 271 G HA2 -0.235 3.731 3.960 0.010 0.000 0.260 271 G HA3 -0.235 3.731 3.960 0.010 0.000 0.260 271 G C 0.090 174.799 174.900 -0.318 0.000 0.977 271 G CA -0.087 44.811 45.100 -0.337 0.000 0.641 271 G HN 0.480 nan 8.290 nan 0.000 0.533 272 I N 0.001 120.430 120.570 -0.234 0.000 2.828 272 I HA 0.725 4.900 4.170 0.010 0.000 0.302 272 I C -0.026 175.991 176.117 -0.166 0.000 1.101 272 I CA -0.909 60.276 61.300 -0.192 0.000 1.031 272 I CB 2.007 39.899 38.000 -0.180 0.000 1.231 272 I HN 0.009 nan 8.210 nan 0.000 0.427 273 L N 2.431 123.576 121.223 -0.130 0.000 2.472 273 L HA 0.653 4.999 4.340 0.010 0.000 0.260 273 L C -0.205 176.589 176.870 -0.127 0.000 0.963 273 L CA -0.591 54.149 54.840 -0.167 0.000 0.829 273 L CB 2.329 44.245 42.059 -0.238 0.000 1.348 273 L HN 0.724 nan 8.230 nan 0.000 0.408 274 A N 0.704 123.354 122.820 -0.284 0.000 2.286 274 A HA 0.264 4.590 4.320 0.010 0.000 0.286 274 A C 0.168 177.562 177.584 -0.316 0.000 1.097 274 A CA -0.036 51.770 52.037 -0.384 0.000 0.821 274 A CB 0.265 18.660 19.000 -1.007 0.000 1.076 274 A HN 0.759 nan 8.150 nan 0.000 0.490 275 Y N 1.053 121.204 120.300 -0.249 0.000 2.274 275 Y HA -0.281 4.275 4.550 0.010 0.000 0.290 275 Y C 1.921 177.734 175.900 -0.144 0.000 1.145 275 Y CA 2.638 60.667 58.100 -0.119 0.000 1.203 275 Y CB -0.585 37.889 38.460 0.023 0.000 0.984 275 Y HN 0.808 nan 8.280 nan 0.000 0.533 276 Y N -1.446 118.722 120.300 -0.221 0.000 2.439 276 Y HA 0.073 4.628 4.550 0.009 0.000 0.292 276 Y C 1.784 177.361 175.900 -0.538 0.000 1.130 276 Y CA 0.943 58.752 58.100 -0.485 0.000 1.254 276 Y CB -1.025 36.979 38.460 -0.760 0.000 1.000 276 Y HN 0.131 nan 8.280 nan 0.000 0.554 277 E N 0.740 120.629 120.200 -0.518 0.000 2.122 277 E HA 0.004 4.360 4.350 0.010 0.000 0.190 277 E C 2.003 178.516 176.600 -0.144 0.000 0.977 277 E CA 0.865 57.125 56.400 -0.233 0.000 0.820 277 E CB -0.082 29.474 29.700 -0.239 0.000 0.770 277 E HN 0.520 nan 8.360 nan 0.000 0.462 278 I N 0.772 121.190 120.570 -0.252 0.000 2.226 278 I HA -0.310 3.866 4.170 0.010 0.000 0.245 278 I C 2.262 178.234 176.117 -0.241 0.000 1.100 278 I CA 0.581 61.739 61.300 -0.236 0.000 1.374 278 I CB -0.239 37.561 38.000 -0.334 0.000 1.057 278 I HN 0.246 nan 8.210 nan 0.000 0.413 279 c N 0.552 118.930 118.600 -0.371 0.000 2.403 279 c HA -0.227 4.349 4.570 0.010 0.000 0.277 279 c C 2.537 176.554 174.090 -0.122 0.000 1.248 279 c CA 1.511 57.651 56.329 -0.315 0.000 1.762 279 c CB -1.058 41.283 42.510 -0.282 0.000 2.014 279 c HN 0.573 nan 8.230 nan 0.000 0.486 280 D N -0.642 119.786 120.400 0.046 0.000 2.194 280 D HA -0.102 4.544 4.640 0.010 0.000 0.204 280 D C 1.808 178.196 176.300 0.146 0.000 0.964 280 D CA 0.603 54.722 54.000 0.199 0.000 0.846 280 D CB -0.317 40.655 40.800 0.287 0.000 0.962 280 D HN 0.447 nan 8.370 nan 0.000 0.490 281 F N 0.368 120.274 119.950 -0.073 0.000 2.186 281 F HA -0.046 4.486 4.527 0.008 0.000 0.299 281 F C 1.726 177.445 175.800 -0.136 0.000 1.090 281 F CA 0.720 58.664 58.000 -0.093 0.000 1.307 281 F CB -0.203 38.710 39.000 -0.145 0.000 1.019 281 F HN -0.027 nan 8.300 nan 0.000 0.489 282 L N 0.326 121.424 121.223 -0.208 0.000 2.261 282 L HA -0.184 4.162 4.340 0.010 0.000 0.216 282 L C 0.746 177.392 176.870 -0.373 0.000 1.114 282 L CA 1.089 55.719 54.840 -0.351 0.000 0.777 282 L CB -1.384 40.467 42.059 -0.347 0.000 0.910 282 L HN 0.071 nan 8.230 nan 0.000 0.440 283 H N 0.060 119.024 119.070 -0.176 0.000 3.086 283 H HA 0.323 4.885 4.556 0.009 0.000 0.265 283 H C 1.377 176.599 175.328 -0.177 0.000 1.092 283 H CA 0.731 56.697 56.048 -0.138 0.000 1.487 283 H CB -0.061 29.652 29.762 -0.081 0.000 1.514 283 H HN 0.289 nan 8.280 nan 0.000 0.497 284 G N 2.331 111.093 108.800 -0.062 0.000 2.159 284 G HA2 -0.184 3.781 3.960 0.010 0.000 0.227 284 G HA3 -0.184 3.781 3.960 0.010 0.000 0.227 284 G C 0.383 175.177 174.900 -0.177 0.000 0.986 284 G CA 0.019 45.060 45.100 -0.097 0.000 0.651 284 G HN 0.881 nan 8.290 nan 0.000 0.523 285 A N -0.543 122.120 122.820 -0.262 0.000 2.269 285 A HA 0.900 5.226 4.320 0.010 0.000 0.327 285 A C 0.298 177.745 177.584 -0.228 0.000 1.112 285 A CA 0.396 52.247 52.037 -0.309 0.000 0.865 285 A CB 1.034 19.718 19.000 -0.528 0.000 1.227 285 A HN 0.719 nan 8.150 nan 0.000 0.498 286 T N 1.807 116.235 114.554 -0.211 0.000 2.756 286 T HA 0.513 4.869 4.350 0.010 0.000 0.290 286 T C 0.149 174.539 174.700 -0.517 0.000 0.985 286 T CA -0.109 61.814 62.100 -0.295 0.000 0.955 286 T CB 0.582 69.339 68.868 -0.186 0.000 0.930 286 T HN 0.850 nan 8.240 nan 0.000 0.451 287 T N 1.777 116.009 114.554 -0.538 0.000 2.845 287 T HA 0.546 4.901 4.350 0.010 0.000 0.288 287 T C -0.504 173.698 174.700 -0.831 0.000 0.980 287 T CA -0.790 60.993 62.100 -0.529 0.000 1.071 287 T CB 0.804 69.517 68.868 -0.258 0.000 0.941 287 T HN 0.562 nan 8.240 nan 0.000 0.487 288 H N 1.312 120.011 119.070 -0.618 0.000 2.949 288 H HA 0.696 5.257 4.556 0.009 0.000 0.356 288 H C -0.545 174.353 175.328 -0.717 0.000 1.212 288 H CA -0.998 54.566 56.048 -0.807 0.000 1.136 288 H CB 2.210 31.028 29.762 -1.574 0.000 1.869 288 H HN 0.651 nan 8.280 nan 0.000 0.556 289 R N 1.133 121.431 120.500 -0.335 0.000 2.508 289 R HA 0.219 4.565 4.340 0.010 0.000 0.283 289 R C -1.467 174.790 176.300 -0.071 0.000 1.120 289 R CA -0.638 55.329 56.100 -0.223 0.000 0.958 289 R CB 1.011 31.241 30.300 -0.118 0.000 1.215 289 R HN 0.231 nan 8.270 nan 0.000 0.427 290 F N 5.658 125.714 119.950 0.176 0.000 2.490 290 F HA 0.125 4.657 4.527 0.009 0.000 0.357 290 F C 1.897 177.738 175.800 0.068 0.000 1.166 290 F CA -0.267 57.817 58.000 0.141 0.000 1.116 290 F CB 0.550 39.623 39.000 0.121 0.000 1.171 290 F HN 0.478 nan 8.300 nan 0.000 0.576 291 R N 0.696 121.337 120.500 0.235 0.000 2.080 291 R HA -0.177 4.168 4.340 0.010 0.000 0.236 291 R C 0.922 177.305 176.300 0.137 0.000 1.137 291 R CA 1.844 58.030 56.100 0.142 0.000 0.943 291 R CB -0.493 29.870 30.300 0.105 0.000 0.846 291 R HN 0.320 nan 8.270 nan 0.000 0.431 292 D N 0.865 121.345 120.400 0.134 0.000 2.117 292 D HA -0.117 4.529 4.640 0.010 0.000 0.197 292 D C 2.145 178.533 176.300 0.146 0.000 0.987 292 D CA 1.325 55.384 54.000 0.097 0.000 0.829 292 D CB -0.135 40.695 40.800 0.050 0.000 0.961 292 D HN 0.416 nan 8.370 nan 0.000 0.460 293 Q N -0.307 119.574 119.800 0.135 0.000 2.245 293 Q HA 0.050 4.396 4.340 0.010 0.000 0.201 293 Q C 0.009 176.054 176.000 0.075 0.000 0.955 293 Q CA 0.403 56.262 55.803 0.094 0.000 0.870 293 Q CB 0.225 28.953 28.738 -0.017 0.000 0.945 293 Q HN 0.240 nan 8.270 nan 0.000 0.461 294 Q N -0.852 119.010 119.800 0.105 0.000 2.470 294 Q HA -0.103 4.242 4.340 0.010 0.000 0.281 294 Q C -1.265 174.702 176.000 -0.054 0.000 1.260 294 Q CA 0.438 56.271 55.803 0.050 0.000 0.815 294 Q CB -2.330 26.454 28.738 0.077 0.000 1.204 294 Q HN 0.285 nan 8.270 nan 0.000 0.444 295 V N -5.000 114.875 119.914 -0.066 0.000 3.012 295 V HA 0.750 4.876 4.120 0.010 0.000 0.307 295 V C -2.844 173.182 176.094 -0.113 0.000 1.166 295 V CA -2.403 59.779 62.300 -0.197 0.000 0.974 295 V CB 2.270 33.740 31.823 -0.588 0.000 1.040 295 V HN -0.127 nan 8.190 nan 0.000 0.428 296 P HA 0.580 nan 4.420 nan 0.000 0.289 296 P C -1.604 175.629 177.300 -0.111 0.000 1.299 296 P CA -0.231 62.678 63.100 -0.318 0.000 0.766 296 P CB 0.223 31.457 31.700 -0.777 0.000 1.226 297 Y N -3.605 116.560 120.300 -0.226 0.000 2.527 297 Y HA 0.683 5.238 4.550 0.009 0.000 0.328 297 Y C -2.163 173.647 175.900 -0.150 0.000 1.216 297 Y CA -1.317 56.614 58.100 -0.281 0.000 1.152 297 Y CB -0.009 38.097 38.460 -0.590 0.000 1.342 297 Y HN 0.553 nan 8.280 nan 0.000 0.465 298 A N 2.110 124.916 122.820 -0.022 0.000 2.469 298 A HA 0.983 5.309 4.320 0.010 0.000 0.299 298 A C -1.059 176.552 177.584 0.046 0.000 1.098 298 A CA -0.613 51.414 52.037 -0.017 0.000 0.737 298 A CB 1.904 20.955 19.000 0.084 0.000 1.312 298 A HN 0.955 nan 8.150 nan 0.000 0.414 299 T N 0.623 115.231 114.554 0.091 0.000 2.903 299 T HA 0.729 5.085 4.350 0.010 0.000 0.299 299 T C -0.899 173.847 174.700 0.077 0.000 1.093 299 T CA -0.790 61.446 62.100 0.226 0.000 1.002 299 T CB 1.773 70.860 68.868 0.366 0.000 1.127 299 T HN 0.681 nan 8.240 nan 0.000 0.488 300 K N 1.077 121.559 120.400 0.136 0.000 2.606 300 K HA 0.477 4.802 4.320 0.010 0.000 0.259 300 K C 0.598 177.262 176.600 0.107 0.000 1.001 300 K CA 0.213 56.487 56.287 -0.021 0.000 0.881 300 K CB 1.076 33.350 32.500 -0.377 0.000 1.288 300 K HN 1.019 nan 8.250 nan 0.000 0.452 301 G N 4.001 112.853 108.800 0.085 0.000 2.622 301 G HA2 -0.407 3.558 3.960 0.010 0.000 0.307 301 G HA3 -0.407 3.558 3.960 0.010 0.000 0.307 301 G C 0.147 175.139 174.900 0.153 0.000 1.226 301 G CA 0.736 45.899 45.100 0.106 0.000 0.997 301 G HN 0.841 nan 8.290 nan 0.000 0.551 302 N N 1.170 119.964 118.700 0.158 0.000 2.251 302 N HA 0.166 4.912 4.740 0.010 0.000 0.217 302 N C 0.167 175.813 175.510 0.228 0.000 1.124 302 N CA 0.421 53.575 53.050 0.173 0.000 0.843 302 N CB 0.486 39.050 38.487 0.129 0.000 1.024 302 N HN 0.607 nan 8.380 nan 0.000 0.501 303 Q N 0.334 120.306 119.800 0.286 0.000 2.307 303 Q HA 0.224 4.570 4.340 0.010 0.000 0.262 303 Q C -1.506 174.771 176.000 0.462 0.000 0.961 303 Q CA -0.286 55.718 55.803 0.334 0.000 0.882 303 Q CB 1.750 30.696 28.738 0.346 0.000 1.264 303 Q HN 0.393 nan 8.270 nan 0.000 0.446 304 W N 3.391 124.832 121.300 0.236 0.000 2.532 304 W HA 0.526 5.191 4.660 0.008 0.000 0.321 304 W C -1.258 175.403 176.519 0.236 0.000 1.037 304 W CA -0.498 57.022 57.345 0.290 0.000 1.220 304 W CB 1.168 30.794 29.460 0.277 0.000 1.361 304 W HN 0.267 nan 8.180 nan 0.000 0.468 305 V N 5.286 125.104 119.914 -0.161 0.000 2.540 305 V HA 0.768 4.893 4.120 0.010 0.000 0.302 305 V C -0.158 175.805 176.094 -0.217 0.000 1.035 305 V CA -1.119 61.078 62.300 -0.171 0.000 0.873 305 V CB 1.262 32.938 31.823 -0.246 0.000 0.992 305 V HN 0.649 nan 8.190 nan 0.000 0.428 306 A N 5.120 127.903 122.820 -0.062 0.000 2.271 306 A HA 0.910 5.235 4.320 0.010 0.000 0.317 306 A C -0.933 176.705 177.584 0.091 0.000 1.245 306 A CA -0.382 51.614 52.037 -0.069 0.000 0.857 306 A CB 0.504 19.459 19.000 -0.075 0.000 1.175 306 A HN 1.216 nan 8.150 nan 0.000 0.512 307 Y N -0.337 119.956 120.300 -0.012 0.000 2.689 307 Y HA 0.729 5.285 4.550 0.010 0.000 0.333 307 Y C -1.252 174.718 175.900 0.116 0.000 1.190 307 Y CA -1.733 56.402 58.100 0.059 0.000 1.063 307 Y CB 0.970 39.467 38.460 0.062 0.000 1.294 307 Y HN 0.428 nan 8.280 nan 0.000 0.466 308 D N 1.672 122.097 120.400 0.042 0.000 2.278 308 D HA 0.257 4.903 4.640 0.010 0.000 0.245 308 D C -1.317 174.956 176.300 -0.045 0.000 1.052 308 D CA -0.127 53.811 54.000 -0.103 0.000 0.834 308 D CB 1.976 42.711 40.800 -0.109 0.000 1.194 308 D HN 0.733 nan 8.370 nan 0.000 0.481 309 D N 0.122 120.469 120.400 -0.087 0.000 2.506 309 D HA 0.085 4.730 4.640 0.010 0.000 0.254 309 D C 1.063 177.328 176.300 -0.059 0.000 1.089 309 D CA -0.480 53.531 54.000 0.018 0.000 1.050 309 D CB 0.861 41.782 40.800 0.200 0.000 1.221 309 D HN 0.103 nan 8.370 nan 0.000 0.589 310 Q N -0.665 119.131 119.800 -0.007 0.000 2.133 310 Q HA -0.284 4.062 4.340 0.010 0.000 0.208 310 Q C 1.645 177.641 176.000 -0.007 0.000 0.991 310 Q CA 2.191 57.991 55.803 -0.004 0.000 0.867 310 Q CB -0.018 28.749 28.738 0.049 0.000 0.911 310 Q HN 0.727 nan 8.270 nan 0.000 0.417 311 E N -0.087 120.113 120.200 0.001 0.000 2.028 311 E HA -0.167 4.188 4.350 0.010 0.000 0.190 311 E C 2.100 178.686 176.600 -0.024 0.000 0.984 311 E CA 1.381 57.778 56.400 -0.005 0.000 0.800 311 E CB -0.032 29.669 29.700 0.000 0.000 0.758 311 E HN 0.327 nan 8.360 nan 0.000 0.448 312 S N 0.259 115.929 115.700 -0.049 0.000 2.372 312 S HA -0.216 4.259 4.470 0.010 0.000 0.227 312 S C 2.152 176.716 174.600 -0.061 0.000 1.044 312 S CA 1.638 59.796 58.200 -0.071 0.000 1.050 312 S CB -1.021 62.110 63.200 -0.116 0.000 0.901 312 S HN 0.195 nan 8.310 nan 0.000 0.447 313 V N 2.557 122.435 119.914 -0.060 0.000 2.392 313 V HA -0.180 3.946 4.120 0.010 0.000 0.249 313 V C 2.765 178.844 176.094 -0.024 0.000 1.059 313 V CA 2.173 64.445 62.300 -0.046 0.000 1.051 313 V CB -0.684 31.104 31.823 -0.058 0.000 0.658 313 V HN 0.551 nan 8.190 nan 0.000 0.455 314 K N -0.291 120.099 120.400 -0.017 0.000 2.097 314 K HA -0.145 4.181 4.320 0.010 0.000 0.205 314 K C 2.010 178.611 176.600 0.002 0.000 1.050 314 K CA 1.349 57.632 56.287 -0.006 0.000 0.938 314 K CB -0.336 32.164 32.500 0.001 0.000 0.718 314 K HN 0.548 nan 8.250 nan 0.000 0.442 315 N N 1.254 119.954 118.700 0.001 0.000 2.025 315 N HA -0.186 4.560 4.740 0.010 0.000 0.194 315 N C 1.653 177.180 175.510 0.029 0.000 1.044 315 N CA 1.462 54.522 53.050 0.017 0.000 0.851 315 N CB -0.029 38.456 38.487 -0.003 0.000 1.036 315 N HN 0.194 nan 8.380 nan 0.000 0.422 316 K N 0.798 121.190 120.400 -0.014 0.000 2.103 316 K HA -0.089 4.236 4.320 0.010 0.000 0.207 316 K C 2.092 178.736 176.600 0.074 0.000 1.048 316 K CA 1.122 57.406 56.287 -0.006 0.000 0.930 316 K CB -0.103 32.369 32.500 -0.046 0.000 0.716 316 K HN 0.191 nan 8.250 nan 0.000 0.444 317 A N 1.658 124.496 122.820 0.029 0.000 1.930 317 A HA -0.146 4.180 4.320 0.010 0.000 0.217 317 A C 2.044 179.616 177.584 -0.019 0.000 1.175 317 A CA 1.140 53.175 52.037 -0.003 0.000 0.627 317 A CB -0.285 18.697 19.000 -0.031 0.000 0.815 317 A HN 0.207 nan 8.150 nan 0.000 0.443 318 R N -2.239 118.269 120.500 0.013 0.000 2.090 318 R HA -0.089 4.257 4.340 0.010 0.000 0.228 318 R C 2.119 178.436 176.300 0.028 0.000 1.110 318 R CA 1.381 57.483 56.100 0.003 0.000 0.973 318 R CB -0.540 29.779 30.300 0.031 0.000 0.869 318 R HN 0.680 nan 8.270 nan 0.000 0.440 319 Y N 2.607 122.895 120.300 -0.020 0.000 2.053 319 Y HA -0.280 4.276 4.550 0.010 0.000 0.277 319 Y C 2.148 178.048 175.900 -0.000 0.000 1.159 319 Y CA 1.941 60.040 58.100 -0.001 0.000 1.125 319 Y CB -0.429 38.000 38.460 -0.052 0.000 0.969 319 Y HN 0.043 nan 8.280 nan 0.000 0.492 320 L N 0.067 121.334 121.223 0.073 0.000 2.187 320 L HA -0.193 4.152 4.340 0.010 0.000 0.213 320 L C 1.952 178.778 176.870 -0.072 0.000 1.100 320 L CA 1.974 56.816 54.840 0.004 0.000 0.765 320 L CB -0.667 41.448 42.059 0.095 0.000 0.904 320 L HN 0.303 nan 8.230 nan 0.000 0.437 321 K N 0.341 120.676 120.400 -0.108 0.000 2.062 321 K HA -0.082 4.244 4.320 0.010 0.000 0.205 321 K C 1.833 178.415 176.600 -0.031 0.000 1.051 321 K CA 1.255 57.484 56.287 -0.097 0.000 0.941 321 K CB -0.113 32.281 32.500 -0.177 0.000 0.719 321 K HN 0.451 nan 8.250 nan 0.000 0.440 322 N N 0.916 119.558 118.700 -0.098 0.000 2.309 322 N HA -0.105 4.640 4.740 0.010 0.000 0.182 322 N C 1.367 176.799 175.510 -0.130 0.000 1.018 322 N CA 0.878 53.870 53.050 -0.098 0.000 0.876 322 N CB 0.032 38.453 38.487 -0.110 0.000 0.972 322 N HN 0.156 nan 8.380 nan 0.000 0.434 323 R N 0.674 121.047 120.500 -0.211 0.000 2.317 323 R HA 0.151 4.497 4.340 0.010 0.000 0.208 323 R C -0.183 176.083 176.300 -0.057 0.000 0.914 323 R CA 0.009 56.007 56.100 -0.169 0.000 1.060 323 R CB 0.236 30.371 30.300 -0.274 0.000 1.015 323 R HN 0.227 nan 8.270 nan 0.000 0.498 324 Q N 0.718 120.514 119.800 -0.007 0.000 2.470 324 Q HA -0.172 4.174 4.340 0.010 0.000 0.294 324 Q C -0.716 175.328 176.000 0.073 0.000 1.356 324 Q CA 0.321 56.160 55.803 0.060 0.000 0.805 324 Q CB -1.539 27.215 28.738 0.026 0.000 1.157 324 Q HN 0.354 nan 8.270 nan 0.000 0.431 325 L N -1.360 119.923 121.223 0.099 0.000 2.488 325 L HA 0.442 4.787 4.340 0.010 0.000 0.249 325 L C 1.599 178.560 176.870 0.153 0.000 1.151 325 L CA 0.353 55.253 54.840 0.099 0.000 0.806 325 L CB 0.178 42.290 42.059 0.089 0.000 1.261 325 L HN 0.298 nan 8.230 nan 0.000 0.484 326 A N -0.120 122.765 122.820 0.108 0.000 2.016 326 A HA 0.397 4.723 4.320 0.010 0.000 0.217 326 A C 0.851 178.521 177.584 0.144 0.000 1.162 326 A CA 1.187 53.278 52.037 0.089 0.000 0.662 326 A CB -0.252 18.770 19.000 0.036 0.000 0.812 326 A HN 0.926 nan 8.150 nan 0.000 0.450 327 G N -2.887 105.991 108.800 0.130 0.000 2.323 327 G HA2 0.581 4.547 3.960 0.010 0.000 0.291 327 G HA3 0.581 4.547 3.960 0.010 0.000 0.291 327 G C -1.164 173.769 174.900 0.054 0.000 1.278 327 G CA -0.069 45.091 45.100 0.099 0.000 0.860 327 G HN 1.083 nan 8.290 nan 0.000 0.504 328 A N -0.262 122.578 122.820 0.033 0.000 2.355 328 A HA 0.842 5.168 4.320 0.010 0.000 0.324 328 A C -0.266 177.366 177.584 0.081 0.000 1.117 328 A CA -0.552 51.521 52.037 0.060 0.000 0.785 328 A CB 1.798 20.824 19.000 0.042 0.000 1.254 328 A HN 1.338 nan 8.150 nan 0.000 0.453 329 M N 2.954 122.649 119.600 0.158 0.000 2.321 329 M HA 0.565 5.050 4.480 0.010 0.000 0.315 329 M C -2.109 174.371 176.300 0.299 0.000 1.052 329 M CA -0.529 54.915 55.300 0.239 0.000 0.936 329 M CB 1.441 34.243 32.600 0.337 0.000 1.639 329 M HN 0.360 nan 8.290 nan 0.000 0.433 330 V N 5.950 126.038 119.914 0.290 0.000 2.350 330 V HA 0.312 4.437 4.120 0.010 0.000 0.285 330 V C -0.794 175.509 176.094 0.348 0.000 1.014 330 V CA -0.615 61.840 62.300 0.258 0.000 0.831 330 V CB 1.576 33.477 31.823 0.129 0.000 1.000 330 V HN 0.876 nan 8.190 nan 0.000 0.433 331 W N 6.878 128.298 121.300 0.200 0.000 2.387 331 W HA 0.570 5.236 4.660 0.009 0.000 0.310 331 W C 0.232 176.831 176.519 0.134 0.000 1.181 331 W CA 0.031 57.476 57.345 0.167 0.000 1.333 331 W CB 0.960 30.441 29.460 0.034 0.000 1.286 331 W HN 0.905 nan 8.180 nan 0.000 0.455 332 A N 5.786 128.162 122.820 -0.741 0.000 3.033 332 A HA -0.224 4.102 4.320 0.010 0.000 0.262 332 A C 0.282 177.737 177.584 -0.216 0.000 1.301 332 A CA 0.223 51.859 52.037 -0.667 0.000 0.727 332 A CB -1.674 16.958 19.000 -0.613 0.000 1.094 332 A HN 0.796 nan 8.150 nan 0.000 0.374 333 L N 0.173 121.310 121.223 -0.144 0.000 2.191 333 L HA -0.139 4.207 4.340 0.010 0.000 0.212 333 L C 2.100 179.075 176.870 0.175 0.000 1.103 333 L CA 2.107 56.990 54.840 0.072 0.000 0.769 333 L CB -0.269 41.796 42.059 0.010 0.000 0.908 333 L HN 0.946 nan 8.230 nan 0.000 0.438 334 D N -1.280 119.062 120.400 -0.096 0.000 2.340 334 D HA -0.068 4.577 4.640 0.010 0.000 0.220 334 D C 1.652 177.928 176.300 -0.039 0.000 1.039 334 D CA 0.418 54.257 54.000 -0.268 0.000 0.866 334 D CB 0.050 40.555 40.800 -0.491 0.000 0.913 334 D HN 0.287 nan 8.370 nan 0.000 0.523 335 L N -0.629 120.633 121.223 0.065 0.000 2.731 335 L HA 0.226 4.571 4.340 0.010 0.000 0.240 335 L C 0.715 177.754 176.870 0.282 0.000 1.120 335 L CA -0.268 54.650 54.840 0.130 0.000 0.913 335 L CB 0.287 42.355 42.059 0.015 0.000 1.213 335 L HN 0.070 nan 8.230 nan 0.000 0.515 336 D N 0.539 121.169 120.400 0.385 0.000 2.383 336 D HA -0.012 4.634 4.640 0.010 0.000 0.248 336 D C -0.419 176.204 176.300 0.538 0.000 1.170 336 D CA -0.179 54.084 54.000 0.438 0.000 0.977 336 D CB 1.348 42.431 40.800 0.472 0.000 1.120 336 D HN -0.134 nan 8.370 nan 0.000 0.481 337 D N 1.033 121.682 120.400 0.416 0.000 2.508 337 D HA -0.011 4.635 4.640 0.010 0.000 0.224 337 D C 0.909 177.143 176.300 -0.111 0.000 1.171 337 D CA -0.353 53.760 54.000 0.188 0.000 1.006 337 D CB -0.948 39.969 40.800 0.195 0.000 1.073 337 D HN 0.311 nan 8.370 nan 0.000 0.513 338 F N 1.023 120.788 119.950 -0.308 0.000 2.604 338 F HA 0.174 4.707 4.527 0.009 0.000 0.298 338 F C 1.613 177.072 175.800 -0.569 0.000 1.131 338 F CA 0.197 57.686 58.000 -0.852 0.000 1.457 338 F CB -0.275 38.386 39.000 -0.565 0.000 1.095 338 F HN 0.109 nan 8.300 nan 0.000 0.574 339 R N 0.426 120.398 120.500 -0.881 0.000 2.206 339 R HA 0.258 4.604 4.340 0.010 0.000 0.198 339 R C 1.619 177.712 176.300 -0.345 0.000 0.986 339 R CA 0.600 56.353 56.100 -0.579 0.000 1.029 339 R CB -0.220 29.695 30.300 -0.642 0.000 0.966 339 R HN 0.480 nan 8.270 nan 0.000 0.487 340 G N 1.318 109.946 108.800 -0.286 0.000 2.147 340 G HA2 -0.274 3.692 3.960 0.010 0.000 0.244 340 G HA3 -0.274 3.692 3.960 0.010 0.000 0.244 340 G C 0.590 175.408 174.900 -0.135 0.000 1.005 340 G CA 0.836 45.851 45.100 -0.143 0.000 0.713 340 G HN 0.457 nan 8.290 nan 0.000 0.515 341 T N -3.626 110.800 114.554 -0.214 0.000 3.132 341 T HA 0.580 4.935 4.350 0.010 0.000 0.274 341 T C 1.352 175.822 174.700 -0.384 0.000 1.011 341 T CA 0.414 62.335 62.100 -0.298 0.000 0.899 341 T CB -0.064 68.558 68.868 -0.410 0.000 1.089 341 T HN 0.176 nan 8.240 nan 0.000 0.543 342 F N 0.366 120.228 119.950 -0.145 0.000 2.514 342 F HA 0.311 4.844 4.527 0.009 0.000 0.281 342 F C 1.893 177.658 175.800 -0.058 0.000 1.060 342 F CA -0.465 57.483 58.000 -0.086 0.000 1.397 342 F CB 0.245 39.204 39.000 -0.068 0.000 1.129 342 F HN 0.216 nan 8.300 nan 0.000 0.620 343 c N 0.989 119.663 118.600 0.123 0.000 2.480 343 c HA 0.596 5.172 4.570 0.010 0.000 0.317 343 c C 1.663 175.777 174.090 0.041 0.000 1.300 343 c CA 0.080 56.431 56.329 0.035 0.000 1.706 343 c CB -1.615 40.904 42.510 0.016 0.000 1.840 343 c HN 0.857 nan 8.230 nan 0.000 0.596 344 G N 1.470 110.294 108.800 0.040 0.000 3.487 344 G HA2 -0.292 3.674 3.960 0.010 0.000 0.295 344 G HA3 -0.292 3.674 3.960 0.010 0.000 0.295 344 G C 0.419 175.333 174.900 0.023 0.000 1.454 344 G CA 0.213 45.333 45.100 0.033 0.000 1.039 344 G HN 0.717 nan 8.290 nan 0.000 0.624 345 Q N 2.600 122.420 119.800 0.033 0.000 2.604 345 Q HA 0.008 4.353 4.340 0.010 0.000 0.307 345 Q C -0.076 175.938 176.000 0.024 0.000 1.208 345 Q CA 1.103 56.925 55.803 0.030 0.000 1.059 345 Q CB -1.106 27.657 28.738 0.042 0.000 1.127 345 Q HN 0.609 nan 8.270 nan 0.000 0.425 346 N N 4.001 122.705 118.700 0.006 0.000 2.278 346 N HA 0.011 4.757 4.740 0.010 0.000 0.287 346 N C -0.772 174.742 175.510 0.008 0.000 1.374 346 N CA 0.518 53.565 53.050 -0.006 0.000 1.007 346 N CB 0.034 38.512 38.487 -0.015 0.000 1.428 346 N HN 0.590 nan 8.380 nan 0.000 0.489 347 L N 0.991 122.222 121.223 0.014 0.000 2.549 347 L HA 0.352 4.698 4.340 0.010 0.000 0.259 347 L C -0.629 176.257 176.870 0.027 0.000 0.934 347 L CA -0.586 54.276 54.840 0.036 0.000 0.865 347 L CB 2.192 44.289 42.059 0.063 0.000 1.352 347 L HN 0.264 nan 8.230 nan 0.000 0.410 348 T N 2.774 117.347 114.554 0.032 0.000 2.889 348 T HA 0.441 4.797 4.350 0.010 0.000 0.291 348 T C -0.095 174.673 174.700 0.113 0.000 0.995 348 T CA 0.219 62.301 62.100 -0.030 0.000 1.092 348 T CB 0.039 68.889 68.868 -0.030 0.000 0.954 348 T HN 0.421 nan 8.240 nan 0.000 0.506 349 F N 4.196 124.223 119.950 0.128 0.000 2.891 349 F HA -0.133 4.399 4.527 0.010 0.000 0.272 349 F C -1.305 174.562 175.800 0.113 0.000 1.004 349 F CA 0.288 58.370 58.000 0.138 0.000 0.938 349 F CB -1.491 37.579 39.000 0.117 0.000 0.939 349 F HN 0.559 nan 8.300 nan 0.000 0.833 350 P HA -0.207 nan 4.420 nan 0.000 0.214 350 P C 1.886 179.266 177.300 0.133 0.000 1.163 350 P CA 1.365 64.578 63.100 0.190 0.000 0.883 350 P CB 0.321 32.158 31.700 0.227 0.000 0.788 351 L N -0.171 121.108 121.223 0.092 0.000 2.017 351 L HA -0.089 4.257 4.340 0.010 0.000 0.208 351 L C 2.665 179.559 176.870 0.039 0.000 1.073 351 L CA 2.182 57.007 54.840 -0.024 0.000 0.745 351 L CB -2.035 39.923 42.059 -0.167 0.000 0.894 351 L HN -0.004 nan 8.230 nan 0.000 0.432 352 T N -1.539 113.079 114.554 0.106 0.000 2.867 352 T HA -0.114 4.242 4.350 0.010 0.000 0.268 352 T C 2.055 176.792 174.700 0.060 0.000 1.057 352 T CA 1.355 63.496 62.100 0.070 0.000 1.136 352 T CB -0.146 68.747 68.868 0.043 0.000 0.874 352 T HN 0.268 nan 8.240 nan 0.000 0.466 353 S N 1.629 117.392 115.700 0.105 0.000 2.368 353 S HA -0.013 4.463 4.470 0.010 0.000 0.224 353 S C 2.628 177.261 174.600 0.056 0.000 1.029 353 S CA 0.891 59.144 58.200 0.089 0.000 0.988 353 S CB -0.558 62.718 63.200 0.125 0.000 0.838 353 S HN 0.601 nan 8.310 nan 0.000 0.462 354 A N 1.286 124.135 122.820 0.049 0.000 1.940 354 A HA -0.071 4.254 4.320 0.010 0.000 0.219 354 A C 2.333 179.924 177.584 0.012 0.000 1.176 354 A CA 1.590 53.643 52.037 0.028 0.000 0.631 354 A CB -0.929 18.082 19.000 0.019 0.000 0.814 354 A HN 0.349 nan 8.150 nan 0.000 0.446 355 V N 0.199 120.118 119.914 0.009 0.000 2.295 355 V HA -0.273 3.853 4.120 0.010 0.000 0.246 355 V C 2.526 178.615 176.094 -0.009 0.000 1.049 355 V CA 2.363 64.661 62.300 -0.004 0.000 1.024 355 V CB -0.671 31.155 31.823 0.005 0.000 0.648 355 V HN 0.682 nan 8.190 nan 0.000 0.447 356 K N -0.043 120.362 120.400 0.007 0.000 2.032 356 K HA -0.254 4.072 4.320 0.010 0.000 0.209 356 K C 1.918 178.524 176.600 0.010 0.000 1.048 356 K CA 2.059 58.353 56.287 0.012 0.000 0.927 356 K CB -0.304 32.212 32.500 0.027 0.000 0.712 356 K HN 0.426 nan 8.250 nan 0.000 0.441 357 D N 0.301 120.710 120.400 0.015 0.000 2.133 357 D HA -0.156 4.489 4.640 0.010 0.000 0.195 357 D C 1.925 178.224 176.300 -0.002 0.000 0.997 357 D CA 1.155 55.163 54.000 0.013 0.000 0.840 357 D CB -0.175 40.636 40.800 0.019 0.000 0.947 357 D HN 0.067 nan 8.370 nan 0.000 0.452 358 V N 0.618 120.520 119.914 -0.019 0.000 2.427 358 V HA -0.175 3.951 4.120 0.010 0.000 0.248 358 V C 2.298 178.340 176.094 -0.086 0.000 1.051 358 V CA 0.855 63.129 62.300 -0.042 0.000 1.048 358 V CB -0.219 31.575 31.823 -0.048 0.000 0.666 358 V HN 0.136 nan 8.190 nan 0.000 0.456 359 L N 0.275 121.435 121.223 -0.105 0.000 2.291 359 L HA 0.066 4.412 4.340 0.010 0.000 0.214 359 L C 2.326 179.188 176.870 -0.014 0.000 1.120 359 L CA 1.829 56.563 54.840 -0.177 0.000 0.799 359 L CB -1.051 40.929 42.059 -0.132 0.000 0.925 359 L HN 0.305 nan 8.230 nan 0.000 0.446 360 A N -1.916 120.914 122.820 0.018 0.000 2.132 360 A HA 0.027 4.353 4.320 0.010 0.000 0.213 360 A C 1.308 178.921 177.584 0.049 0.000 1.154 360 A CA -0.036 52.034 52.037 0.055 0.000 0.753 360 A CB -0.204 18.821 19.000 0.041 0.000 0.826 360 A HN 0.348 nan 8.150 nan 0.000 0.469 361 E N -0.386 119.829 120.200 0.026 0.000 2.435 361 E HA 0.286 4.642 4.350 0.010 0.000 0.254 361 E C -0.062 176.568 176.600 0.049 0.000 1.289 361 E CA -0.381 56.035 56.400 0.025 0.000 0.983 361 E CB 0.538 30.242 29.700 0.005 0.000 1.010 361 E HN 0.134 nan 8.360 nan 0.000 0.509 362 V N 0.000 119.942 119.914 0.047 0.000 2.409 362 V HA 0.000 4.126 4.120 0.010 0.000 0.244 362 V CA 0.000 62.342 62.300 0.069 0.000 1.235 362 V CB 0.000 31.852 31.823 0.049 0.000 1.184 362 V HN 0.000 nan 8.190 nan 0.000 0.556