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 1v2e_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRLHPRTEAA KESIFPRMSG LAQRLGAVNL GQGFPSNPPP PFLLEAVRRA DATA SEQUENCE LGRQDQYAPP AGLPALREAL AEEFAVEPES VVVTSGATEA LYVLLQSLVG DATA SEQUENCE PGDEVVVLEP FFDVYLPDAF LAGAKARLVR LDLTPEGFRL DLSALEKALT DATA SEQUENCE PRTRALLLNT PMNPTGLVFG ERELEAIARL ARAHDLFLIS DEVYDELYYG DATA SEQUENCE ERPRRLREFA PERTFTVGSA GKRLEATGYR VGWIVGPKEF MPRLAGMRQW DATA SEQUENCE TSFSAPTPLQ AGVAEALKLA RREGFYEALR EGYRRRRDLL AGGLRAMGLR DATA SEQUENCE VYVPEGTYFL MAELPGWDAF RLVEEARVAL IPASAFYLED PPKDLFRFAF DATA SEQUENCE CKTEEELHLA LERLGRVV 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.002 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 R N 3.775 124.276 120.500 0.002 0.000 2.807 2 R HA 0.820 5.159 4.340 -0.000 0.000 0.276 2 R C -1.582 174.727 176.300 0.015 0.000 0.979 2 R CA -0.682 55.420 56.100 0.004 0.000 0.928 2 R CB 1.392 31.689 30.300 -0.006 0.000 1.191 2 R HN 0.999 nan 8.270 nan 0.000 0.471 3 L N 1.763 123.002 121.223 0.026 0.000 2.479 3 L HA 0.125 4.465 4.340 -0.000 0.000 0.270 3 L C 1.277 178.193 176.870 0.077 0.000 1.236 3 L CA -0.271 54.602 54.840 0.056 0.000 0.823 3 L CB 0.032 42.124 42.059 0.056 0.000 1.098 3 L HN 0.545 nan 8.230 nan 0.000 0.500 4 H N 2.681 121.764 119.070 0.023 0.000 2.815 4 H HA 0.040 4.596 4.556 -0.000 0.000 0.350 4 H C -1.854 173.502 175.328 0.045 0.000 1.080 4 H CA -1.475 54.591 56.048 0.030 0.000 1.433 4 H CB 1.501 31.282 29.762 0.032 0.000 1.432 4 H HN 0.299 nan 8.280 nan 0.000 0.592 5 P HA -0.183 nan 4.420 nan 0.000 0.218 5 P C 1.545 179.031 177.300 0.309 0.000 1.146 5 P CA 1.644 64.802 63.100 0.097 0.000 0.813 5 P CB -0.017 31.668 31.700 -0.025 0.000 0.778 6 R N 0.397 121.251 120.500 0.590 0.000 2.117 6 R HA -0.151 4.189 4.340 -0.000 0.000 0.243 6 R C 1.622 178.097 176.300 0.291 0.000 1.143 6 R CA 2.225 58.591 56.100 0.443 0.000 0.968 6 R CB -1.253 29.165 30.300 0.197 0.000 0.863 6 R HN 0.226 nan 8.270 nan 0.000 0.444 7 T N -2.029 112.645 114.554 0.200 0.000 3.219 7 T HA -0.084 4.266 4.350 -0.000 0.000 0.264 7 T C 1.275 176.000 174.700 0.042 0.000 1.178 7 T CA 1.124 63.284 62.100 0.099 0.000 1.057 7 T CB -0.108 68.808 68.868 0.081 0.000 0.919 7 T HN 0.530 nan 8.240 nan 0.000 0.545 8 E N 0.371 120.594 120.200 0.039 0.000 2.427 8 E HA 0.177 4.527 4.350 -0.000 0.000 0.196 8 E C 2.071 178.579 176.600 -0.153 0.000 1.028 8 E CA 0.521 56.895 56.400 -0.042 0.000 0.864 8 E CB -0.337 29.348 29.700 -0.024 0.000 0.813 8 E HN 0.710 nan 8.360 nan 0.000 0.514 9 A N 0.556 123.252 122.820 -0.206 0.000 2.132 9 A HA 0.310 4.630 4.320 -0.000 0.000 0.213 9 A C 1.465 178.967 177.584 -0.137 0.000 1.154 9 A CA 0.521 52.385 52.037 -0.289 0.000 0.753 9 A CB 0.046 18.811 19.000 -0.392 0.000 0.826 9 A HN 0.238 nan 8.150 nan 0.000 0.469 10 A N 1.192 123.968 122.820 -0.072 0.000 2.981 10 A HA 0.445 4.765 4.320 -0.000 0.000 0.280 10 A C 0.062 177.614 177.584 -0.053 0.000 1.743 10 A CA -0.175 51.834 52.037 -0.047 0.000 1.430 10 A CB -0.714 18.274 19.000 -0.019 0.000 1.085 10 A HN 0.454 nan 8.150 nan 0.000 0.597 11 K N 1.172 121.531 120.400 -0.069 0.000 2.259 11 K HA 0.357 4.677 4.320 -0.000 0.000 0.249 11 K C -0.324 176.238 176.600 -0.062 0.000 0.942 11 K CA -0.715 55.532 56.287 -0.066 0.000 0.816 11 K CB 2.024 34.473 32.500 -0.084 0.000 1.155 11 K HN 0.583 nan 8.250 nan 0.000 0.428 12 E N 1.673 121.844 120.200 -0.049 0.000 2.493 12 E HA -0.062 4.288 4.350 -0.000 0.000 0.255 12 E C -0.274 176.286 176.600 -0.067 0.000 0.999 12 E CA 0.161 56.537 56.400 -0.040 0.000 0.934 12 E CB 0.658 30.346 29.700 -0.020 0.000 0.940 12 E HN 0.445 nan 8.360 nan 0.000 0.473 13 S N 3.561 119.219 115.700 -0.069 0.000 2.563 13 S HA -0.095 4.375 4.470 -0.000 0.000 0.284 13 S C 1.262 175.762 174.600 -0.167 0.000 1.331 13 S CA -0.458 57.660 58.200 -0.136 0.000 1.047 13 S CB 0.506 63.669 63.200 -0.063 0.000 0.859 13 S HN 0.572 nan 8.310 nan 0.000 0.514 14 I N 4.904 125.260 120.570 -0.357 0.000 2.286 14 I HA -0.023 4.147 4.170 -0.000 0.000 0.248 14 I C 1.325 177.318 176.117 -0.207 0.000 1.115 14 I CA 1.552 62.652 61.300 -0.333 0.000 1.392 14 I CB -0.638 37.039 38.000 -0.538 0.000 1.065 14 I HN 0.755 nan 8.210 nan 0.000 0.418 15 F N 1.907 121.839 119.950 -0.031 0.000 2.046 15 F HA -0.095 4.432 4.527 -0.000 0.000 0.297 15 F C -0.121 175.719 175.800 0.067 0.000 1.123 15 F CA 1.686 59.708 58.000 0.037 0.000 1.199 15 F CB -2.940 36.109 39.000 0.083 0.000 0.972 15 F HN 0.180 nan 8.300 nan 0.000 0.474 16 P HA -0.137 nan 4.420 nan 0.000 0.223 16 P C 1.617 178.983 177.300 0.110 0.000 1.151 16 P CA 1.363 64.559 63.100 0.159 0.000 0.787 16 P CB -0.168 31.599 31.700 0.112 0.000 0.788 17 R N -0.376 120.173 120.500 0.080 0.000 2.066 17 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 17 R C 2.306 178.659 176.300 0.089 0.000 1.131 17 R CA 1.332 57.475 56.100 0.072 0.000 0.955 17 R CB -0.435 29.899 30.300 0.057 0.000 0.851 17 R HN 0.021 nan 8.270 nan 0.000 0.432 18 M N 0.259 119.904 119.600 0.076 0.000 2.296 18 M HA -0.062 4.418 4.480 -0.000 0.000 0.265 18 M C 2.092 178.438 176.300 0.076 0.000 1.064 18 M CA 1.203 56.531 55.300 0.047 0.000 1.109 18 M CB -0.295 32.302 32.600 -0.006 0.000 1.396 18 M HN 0.124 nan 8.290 nan 0.000 0.430 19 S N 0.320 116.094 115.700 0.124 0.000 2.402 19 S HA -0.049 4.421 4.470 -0.000 0.000 0.229 19 S C 1.925 176.590 174.600 0.109 0.000 1.021 19 S CA 1.314 59.603 58.200 0.149 0.000 0.974 19 S CB -0.398 62.931 63.200 0.216 0.000 0.800 19 S HN 0.663 nan 8.310 nan 0.000 0.484 20 G N 1.226 110.080 108.800 0.091 0.000 2.396 20 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.214 20 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.214 20 G C 1.336 176.276 174.900 0.067 0.000 1.166 20 G CA 0.421 45.564 45.100 0.072 0.000 0.793 20 G HN 0.411 nan 8.290 nan 0.000 0.533 21 L N 1.477 122.745 121.223 0.074 0.000 2.083 21 L HA 0.124 4.464 4.340 -0.000 0.000 0.209 21 L C 2.979 179.882 176.870 0.055 0.000 1.083 21 L CA 1.993 56.878 54.840 0.075 0.000 0.752 21 L CB -0.619 41.499 42.059 0.097 0.000 0.899 21 L HN 0.233 nan 8.230 nan 0.000 0.433 22 A N -1.232 121.616 122.820 0.047 0.000 1.898 22 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 22 A C 2.142 179.750 177.584 0.040 0.000 1.181 22 A CA 1.593 53.651 52.037 0.034 0.000 0.620 22 A CB -0.489 18.531 19.000 0.032 0.000 0.819 22 A HN 0.629 nan 8.150 nan 0.000 0.442 23 Q N -0.855 118.976 119.800 0.052 0.000 2.050 23 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 23 Q C 2.352 178.376 176.000 0.039 0.000 0.980 23 Q CA 1.664 57.496 55.803 0.048 0.000 0.840 23 Q CB -0.280 28.490 28.738 0.052 0.000 0.898 23 Q HN 0.705 nan 8.270 nan 0.000 0.424 24 R N 0.904 121.429 120.500 0.041 0.000 2.091 24 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 24 R C 1.791 178.111 176.300 0.034 0.000 1.136 24 R CA 1.263 57.385 56.100 0.037 0.000 0.959 24 R CB -0.105 30.220 30.300 0.042 0.000 0.856 24 R HN 0.236 nan 8.270 nan 0.000 0.437 25 L N -0.515 120.729 121.223 0.035 0.000 2.567 25 L HA 0.243 4.583 4.340 -0.000 0.000 0.225 25 L C 1.070 177.953 176.870 0.022 0.000 1.119 25 L CA 0.422 55.280 54.840 0.030 0.000 0.871 25 L CB 0.410 42.488 42.059 0.032 0.000 1.036 25 L HN 0.617 nan 8.230 nan 0.000 0.459 26 G N 0.607 109.420 108.800 0.022 0.000 2.176 26 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 26 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 26 G C 0.320 175.226 174.900 0.009 0.000 1.024 26 G CA 0.189 45.299 45.100 0.017 0.000 0.755 26 G HN 0.492 nan 8.290 nan 0.000 0.507 27 A N -0.913 121.910 122.820 0.006 0.000 2.286 27 A HA 0.778 5.098 4.320 -0.000 0.000 0.286 27 A C 0.629 178.206 177.584 -0.012 0.000 1.097 27 A CA -0.071 51.960 52.037 -0.010 0.000 0.821 27 A CB 1.323 20.311 19.000 -0.021 0.000 1.076 27 A HN 1.120 nan 8.150 nan 0.000 0.490 28 V N 2.142 122.041 119.914 -0.026 0.000 2.455 28 V HA 0.041 4.161 4.120 -0.000 0.000 0.273 28 V C 0.748 176.817 176.094 -0.042 0.000 1.045 28 V CA -0.073 62.211 62.300 -0.027 0.000 0.976 28 V CB 0.605 32.412 31.823 -0.026 0.000 0.993 28 V HN 0.911 nan 8.190 nan 0.000 0.475 29 N N 5.386 124.061 118.700 -0.040 0.000 2.482 29 N HA 0.254 4.994 4.740 -0.000 0.000 0.242 29 N C 0.221 175.677 175.510 -0.091 0.000 1.100 29 N CA -0.381 52.637 53.050 -0.054 0.000 0.946 29 N CB 0.359 38.826 38.487 -0.033 0.000 1.227 29 N HN 0.653 nan 8.380 nan 0.000 0.508 30 L N 2.785 123.965 121.223 -0.072 0.000 3.017 30 L HA 0.305 4.645 4.340 -0.000 0.000 0.255 30 L C 1.409 178.276 176.870 -0.005 0.000 1.247 30 L CA -0.289 54.526 54.840 -0.042 0.000 1.038 30 L CB 0.436 42.484 42.059 -0.018 0.000 1.380 30 L HN 0.595 nan 8.230 nan 0.000 0.548 31 G N -0.594 108.209 108.800 0.005 0.000 2.548 31 G HA2 -0.044 3.915 3.960 -0.000 0.000 0.221 31 G HA3 -0.044 3.915 3.960 -0.000 0.000 0.221 31 G C 0.285 175.294 174.900 0.182 0.000 1.796 31 G CA -0.113 45.047 45.100 0.100 0.000 0.889 31 G HN 0.254 nan 8.290 nan 0.000 0.599 32 Q N 1.134 121.056 119.800 0.203 0.000 2.286 32 Q HA 0.339 4.679 4.340 -0.000 0.000 0.290 32 Q C 0.210 176.293 176.000 0.139 0.000 1.049 32 Q CA -0.138 55.799 55.803 0.223 0.000 0.923 32 Q CB 0.414 29.380 28.738 0.379 0.000 1.183 32 Q HN 0.290 nan 8.270 nan 0.000 0.383 33 G N 4.618 113.567 108.800 0.247 0.000 2.351 33 G HA2 0.451 4.411 3.960 -0.000 0.000 0.287 33 G HA3 0.451 4.411 3.960 -0.000 0.000 0.287 33 G C -1.041 174.022 174.900 0.271 0.000 1.159 33 G CA -0.392 44.855 45.100 0.244 0.000 0.929 33 G HN 0.610 nan 8.290 nan 0.000 0.435 34 F N 0.670 120.593 119.950 -0.045 0.000 2.651 34 F HA 0.514 5.041 4.527 -0.000 0.000 0.327 34 F C -3.091 172.611 175.800 -0.164 0.000 1.133 34 F CA -2.804 55.154 58.000 -0.070 0.000 1.076 34 F CB 0.462 39.457 39.000 -0.008 0.000 1.315 34 F HN 0.269 nan 8.300 nan 0.000 0.499 35 P HA 0.128 nan 4.420 nan 0.000 0.266 35 P C 0.336 177.640 177.300 0.006 0.000 1.193 35 P CA 0.189 63.222 63.100 -0.112 0.000 0.770 35 P CB 1.020 32.699 31.700 -0.035 0.000 0.836 36 S N 0.106 115.766 115.700 -0.066 0.000 2.528 36 S HA 0.011 4.481 4.470 -0.000 0.000 0.219 36 S C 0.720 175.327 174.600 0.012 0.000 0.985 36 S CA 0.192 58.388 58.200 -0.007 0.000 0.914 36 S CB -0.769 62.398 63.200 -0.056 0.000 0.776 36 S HN 0.672 nan 8.310 nan 0.000 0.526 37 N N 1.829 120.523 118.700 -0.010 0.000 2.482 37 N HA 0.465 5.205 4.740 -0.000 0.000 0.279 37 N C -2.752 172.759 175.510 0.001 0.000 1.182 37 N CA -1.633 51.411 53.050 -0.009 0.000 0.969 37 N CB 0.028 38.497 38.487 -0.029 0.000 1.201 37 N HN -0.075 nan 8.380 nan 0.000 0.523 38 P HA 0.351 nan 4.420 nan 0.000 0.278 38 P C -2.633 174.636 177.300 -0.052 0.000 1.266 38 P CA -1.205 61.883 63.100 -0.020 0.000 0.807 38 P CB 0.111 31.802 31.700 -0.015 0.000 1.094 39 P HA 0.206 nan 4.420 nan 0.000 0.274 39 P C -2.289 174.873 177.300 -0.231 0.000 1.256 39 P CA -1.567 61.434 63.100 -0.165 0.000 0.795 39 P CB -1.157 30.392 31.700 -0.252 0.000 1.038 40 P HA 0.056 nan 4.420 nan 0.000 0.267 40 P C -2.048 174.922 177.300 -0.550 0.000 1.200 40 P CA -0.927 61.835 63.100 -0.563 0.000 0.772 40 P CB -0.569 30.427 31.700 -1.174 0.000 0.855 41 P HA -0.186 nan 4.420 nan 0.000 0.216 41 P C 1.432 178.659 177.300 -0.122 0.000 1.150 41 P CA 1.522 64.533 63.100 -0.148 0.000 0.843 41 P CB -0.573 31.108 31.700 -0.033 0.000 0.787 42 F N -1.140 118.749 119.950 -0.102 0.000 2.269 42 F HA -0.076 4.451 4.527 -0.000 0.000 0.301 42 F C 1.850 177.604 175.800 -0.078 0.000 1.082 42 F CA 0.645 58.589 58.000 -0.094 0.000 1.360 42 F CB -1.642 37.282 39.000 -0.126 0.000 1.041 42 F HN -0.165 nan 8.300 nan 0.000 0.512 43 L N 1.012 121.994 121.223 -0.402 0.000 2.044 43 L HA 0.014 4.354 4.340 -0.000 0.000 0.205 43 L C 2.104 178.957 176.870 -0.028 0.000 1.075 43 L CA 1.501 56.243 54.840 -0.163 0.000 0.747 43 L CB -0.942 40.933 42.059 -0.308 0.000 0.903 43 L HN 0.254 nan 8.230 nan 0.000 0.435 44 L N -0.373 120.808 121.223 -0.071 0.000 2.042 44 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 44 L C 2.651 179.529 176.870 0.014 0.000 1.076 44 L CA 1.250 56.093 54.840 0.004 0.000 0.749 44 L CB -0.826 41.222 42.059 -0.018 0.000 0.893 44 L HN 0.315 nan 8.230 nan 0.000 0.432 45 E N 0.229 120.437 120.200 0.013 0.000 2.106 45 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 45 E C 2.313 178.935 176.600 0.036 0.000 0.984 45 E CA 1.294 57.710 56.400 0.027 0.000 0.806 45 E CB -0.260 29.463 29.700 0.038 0.000 0.750 45 E HN 0.459 nan 8.360 nan 0.000 0.458 46 A N 0.988 123.841 122.820 0.056 0.000 1.933 46 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 46 A C 2.578 180.187 177.584 0.041 0.000 1.175 46 A CA 1.247 53.319 52.037 0.059 0.000 0.628 46 A CB -0.505 18.551 19.000 0.092 0.000 0.814 46 A HN 0.136 nan 8.150 nan 0.000 0.444 47 V N -0.278 119.659 119.914 0.038 0.000 2.379 47 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 47 V C 2.606 178.694 176.094 -0.011 0.000 1.044 47 V CA 1.865 64.169 62.300 0.007 0.000 1.036 47 V CB -0.722 31.096 31.823 -0.009 0.000 0.664 47 V HN 0.500 nan 8.190 nan 0.000 0.453 48 R N -0.199 120.299 120.500 -0.002 0.000 2.091 48 R HA -0.186 4.154 4.340 -0.000 0.000 0.238 48 R C 2.501 178.798 176.300 -0.004 0.000 1.136 48 R CA 1.762 57.858 56.100 -0.007 0.000 0.959 48 R CB -0.343 29.957 30.300 -0.000 0.000 0.856 48 R HN 0.385 nan 8.270 nan 0.000 0.437 49 R N -0.045 120.458 120.500 0.004 0.000 2.189 49 R HA -0.064 4.276 4.340 -0.000 0.000 0.223 49 R C 1.802 178.103 176.300 0.002 0.000 1.092 49 R CA 1.231 57.334 56.100 0.005 0.000 0.989 49 R CB 0.014 30.322 30.300 0.013 0.000 0.876 49 R HN 0.183 nan 8.270 nan 0.000 0.457 50 A N 0.440 123.260 122.820 -0.001 0.000 2.081 50 A HA 0.165 4.485 4.320 -0.000 0.000 0.214 50 A C 0.809 178.384 177.584 -0.015 0.000 1.158 50 A CA -0.045 51.989 52.037 -0.005 0.000 0.724 50 A CB 0.053 19.051 19.000 -0.003 0.000 0.826 50 A HN 0.176 nan 8.150 nan 0.000 0.463 51 L N -0.365 120.845 121.223 -0.022 0.000 2.453 51 L HA 0.387 4.727 4.340 -0.000 0.000 0.272 51 L C 1.533 178.391 176.870 -0.021 0.000 1.182 51 L CA 0.819 55.643 54.840 -0.028 0.000 0.858 51 L CB 0.320 42.359 42.059 -0.033 0.000 1.120 51 L HN 0.545 nan 8.230 nan 0.000 0.474 52 G N 2.596 111.382 108.800 -0.023 0.000 2.159 52 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.256 52 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.256 52 G C 0.744 175.636 174.900 -0.013 0.000 0.977 52 G CA 0.580 45.669 45.100 -0.018 0.000 0.652 52 G HN 0.836 nan 8.290 nan 0.000 0.531 53 R N -1.602 118.891 120.500 -0.012 0.000 2.532 53 R HA 0.309 4.649 4.340 -0.000 0.000 0.312 53 R C 0.612 176.909 176.300 -0.004 0.000 0.923 53 R CA -0.009 56.087 56.100 -0.006 0.000 1.115 53 R CB 0.428 30.726 30.300 -0.003 0.000 1.703 53 R HN 0.324 nan 8.270 nan 0.000 0.498 54 Q N 0.988 120.783 119.800 -0.008 0.000 3.112 54 Q HA 0.177 4.517 4.340 -0.000 0.000 0.300 54 Q C -0.898 175.092 176.000 -0.016 0.000 0.760 54 Q CA -0.167 55.633 55.803 -0.004 0.000 0.979 54 Q CB 1.354 30.094 28.738 0.003 0.000 1.512 54 Q HN 0.179 nan 8.270 nan 0.000 0.378 55 D N -0.381 120.002 120.400 -0.028 0.000 2.366 55 D HA -0.010 4.630 4.640 -0.000 0.000 0.205 55 D C 0.523 176.775 176.300 -0.080 0.000 1.022 55 D CA 0.572 54.542 54.000 -0.050 0.000 0.868 55 D CB 0.851 41.620 40.800 -0.053 0.000 0.953 55 D HN 0.309 nan 8.370 nan 0.000 0.514 56 Q N 0.204 119.964 119.800 -0.067 0.000 2.171 56 Q HA 0.171 4.511 4.340 -0.000 0.000 0.217 56 Q C 0.102 176.069 176.000 -0.055 0.000 0.995 56 Q CA -0.707 55.024 55.803 -0.119 0.000 0.979 56 Q CB -0.045 28.664 28.738 -0.048 0.000 1.152 56 Q HN 0.086 nan 8.270 nan 0.000 0.525 57 Y N 0.143 120.489 120.300 0.077 0.000 3.012 57 Y HA 0.081 4.631 4.550 -0.000 0.000 0.348 57 Y C 0.521 176.477 175.900 0.093 0.000 1.280 57 Y CA 0.777 58.956 58.100 0.131 0.000 1.492 57 Y CB 0.039 38.623 38.460 0.206 0.000 1.315 57 Y HN 0.566 nan 8.280 nan 0.000 0.651 58 A N 2.551 125.550 122.820 0.298 0.000 2.475 58 A HA 0.668 4.988 4.320 -0.000 0.000 0.301 58 A C -2.871 174.725 177.584 0.021 0.000 1.059 58 A CA -2.156 49.955 52.037 0.123 0.000 0.710 58 A CB 1.189 20.235 19.000 0.078 0.000 1.288 58 A HN 0.460 nan 8.150 nan 0.000 0.408 59 P HA 0.110 nan 4.420 nan 0.000 0.262 59 P C -1.906 175.255 177.300 -0.232 0.000 1.182 59 P CA -0.463 62.562 63.100 -0.126 0.000 0.761 59 P CB 0.281 31.936 31.700 -0.074 0.000 0.795 60 P HA -0.301 nan 4.420 nan 0.000 0.218 60 P C 1.162 178.313 177.300 -0.249 0.000 1.152 60 P CA 2.272 65.070 63.100 -0.504 0.000 0.857 60 P CB -0.248 31.081 31.700 -0.618 0.000 0.787 61 A N -1.604 121.111 122.820 -0.175 0.000 2.015 61 A HA 0.360 4.680 4.320 -0.000 0.000 0.219 61 A C 1.198 178.753 177.584 -0.048 0.000 1.163 61 A CA 1.470 53.452 52.037 -0.092 0.000 0.646 61 A CB -0.875 18.082 19.000 -0.071 0.000 0.806 61 A HN 0.385 nan 8.150 nan 0.000 0.448 62 G N -2.469 106.299 108.800 -0.052 0.000 2.340 62 G HA2 0.197 4.157 3.960 -0.000 0.000 0.527 62 G HA3 0.197 4.157 3.960 -0.000 0.000 0.527 62 G C -0.760 174.139 174.900 -0.003 0.000 1.381 62 G CA -0.682 44.413 45.100 -0.009 0.000 1.001 62 G HN 0.381 nan 8.290 nan 0.000 0.626 63 L N 1.330 122.563 121.223 0.018 0.000 2.456 63 L HA 0.171 4.511 4.340 -0.000 0.000 0.272 63 L C -0.898 175.979 176.870 0.011 0.000 1.189 63 L CA -1.282 53.569 54.840 0.018 0.000 0.846 63 L CB 1.474 43.551 42.059 0.029 0.000 1.111 63 L HN 0.407 nan 8.230 nan 0.000 0.475 64 P HA -0.204 nan 4.420 nan 0.000 0.215 64 P C 1.327 178.629 177.300 0.003 0.000 1.157 64 P CA 1.596 64.697 63.100 0.001 0.000 0.874 64 P CB 0.219 31.920 31.700 0.001 0.000 0.790 65 A N -0.513 122.312 122.820 0.008 0.000 1.917 65 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 65 A C 2.264 179.853 177.584 0.008 0.000 1.182 65 A CA 1.601 53.643 52.037 0.009 0.000 0.633 65 A CB -1.720 17.288 19.000 0.014 0.000 0.819 65 A HN 0.166 nan 8.150 nan 0.000 0.448 66 L N -1.117 120.116 121.223 0.016 0.000 2.093 66 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 66 L C 2.858 179.720 176.870 -0.013 0.000 1.085 66 L CA 1.408 56.258 54.840 0.017 0.000 0.755 66 L CB -0.319 41.769 42.059 0.049 0.000 0.904 66 L HN 0.434 nan 8.230 nan 0.000 0.435 67 R N -0.221 120.274 120.500 -0.010 0.000 2.066 67 R HA -0.168 4.171 4.340 -0.000 0.000 0.232 67 R C 2.028 178.309 176.300 -0.031 0.000 1.131 67 R CA 1.547 57.632 56.100 -0.025 0.000 0.955 67 R CB -0.335 29.956 30.300 -0.015 0.000 0.851 67 R HN 0.478 nan 8.270 nan 0.000 0.432 68 E N 0.866 121.055 120.200 -0.019 0.000 2.085 68 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 68 E C 2.080 178.668 176.600 -0.021 0.000 0.994 68 E CA 1.277 57.667 56.400 -0.016 0.000 0.801 68 E CB -0.161 29.533 29.700 -0.010 0.000 0.743 68 E HN 0.381 nan 8.360 nan 0.000 0.453 69 A N 1.069 123.873 122.820 -0.027 0.000 1.930 69 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 69 A C 2.092 179.640 177.584 -0.060 0.000 1.175 69 A CA 0.927 52.944 52.037 -0.034 0.000 0.627 69 A CB -0.224 18.762 19.000 -0.024 0.000 0.815 69 A HN 0.086 nan 8.150 nan 0.000 0.443 70 L N -0.592 120.572 121.223 -0.098 0.000 2.109 70 L HA -0.008 4.332 4.340 -0.000 0.000 0.207 70 L C 2.959 179.846 176.870 0.027 0.000 1.086 70 L CA 1.615 56.376 54.840 -0.132 0.000 0.760 70 L CB -1.590 40.284 42.059 -0.308 0.000 0.910 70 L HN 0.411 nan 8.230 nan 0.000 0.437 71 A N -0.223 122.596 122.820 -0.001 0.000 1.873 71 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 71 A C 2.203 179.815 177.584 0.047 0.000 1.193 71 A CA 1.961 54.017 52.037 0.031 0.000 0.629 71 A CB -0.538 18.464 19.000 0.003 0.000 0.826 71 A HN 0.520 nan 8.150 nan 0.000 0.447 72 E N -0.419 119.788 120.200 0.012 0.000 2.038 72 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 72 E C 2.067 178.656 176.600 -0.019 0.000 1.000 72 E CA 1.396 57.795 56.400 -0.002 0.000 0.803 72 E CB -0.290 29.401 29.700 -0.014 0.000 0.750 72 E HN 0.724 nan 8.360 nan 0.000 0.448 73 E N -0.087 120.084 120.200 -0.050 0.000 2.085 73 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 73 E C 1.740 178.180 176.600 -0.267 0.000 0.994 73 E CA 1.070 57.370 56.400 -0.167 0.000 0.801 73 E CB -0.123 29.423 29.700 -0.256 0.000 0.743 73 E HN 0.236 nan 8.360 nan 0.000 0.453 74 F N -0.554 119.362 119.950 -0.056 0.000 2.754 74 F HA 0.262 4.789 4.527 -0.000 0.000 0.297 74 F C 1.019 176.806 175.800 -0.022 0.000 1.122 74 F CA 0.475 58.455 58.000 -0.032 0.000 1.400 74 F CB 0.424 39.397 39.000 -0.044 0.000 1.117 74 F HN -0.108 nan 8.300 nan 0.000 0.587 75 A N 0.550 123.434 122.820 0.106 0.000 2.876 75 A HA -0.013 4.307 4.320 -0.000 0.000 0.287 75 A C 0.051 177.674 177.584 0.065 0.000 1.455 75 A CA 0.565 52.638 52.037 0.059 0.000 0.744 75 A CB -2.507 16.514 19.000 0.036 0.000 1.041 75 A HN 0.537 nan 8.150 nan 0.000 0.500 76 V N -3.057 116.898 119.914 0.068 0.000 3.156 76 V HA 0.962 5.082 4.120 -0.000 0.000 0.310 76 V C 0.166 176.269 176.094 0.016 0.000 1.234 76 V CA -0.517 61.804 62.300 0.036 0.000 1.065 76 V CB 1.735 33.576 31.823 0.030 0.000 1.088 76 V HN 0.969 nan 8.190 nan 0.000 0.451 77 E N 0.238 120.438 120.200 -0.000 0.000 2.280 77 E HA 0.419 4.769 4.350 -0.000 0.000 0.264 77 E C -2.389 174.204 176.600 -0.011 0.000 1.064 77 E CA -1.757 54.639 56.400 -0.006 0.000 0.900 77 E CB 1.167 30.860 29.700 -0.012 0.000 1.123 77 E HN 0.396 nan 8.360 nan 0.000 0.418 78 P HA -0.141 nan 4.420 nan 0.000 0.218 78 P C 0.660 177.950 177.300 -0.017 0.000 1.148 78 P CA 1.300 64.391 63.100 -0.016 0.000 0.822 78 P CB 0.207 31.898 31.700 -0.014 0.000 0.784 79 E N -0.621 119.570 120.200 -0.016 0.000 2.265 79 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 79 E C 1.640 178.233 176.600 -0.011 0.000 0.996 79 E CA 1.343 57.734 56.400 -0.015 0.000 0.832 79 E CB -0.861 28.829 29.700 -0.017 0.000 0.756 79 E HN 0.332 nan 8.360 nan 0.000 0.491 80 S N -0.840 114.850 115.700 -0.017 0.000 2.634 80 S HA 0.175 4.645 4.470 -0.000 0.000 0.221 80 S C 0.388 174.977 174.600 -0.019 0.000 0.952 80 S CA -0.511 57.680 58.200 -0.016 0.000 0.930 80 S CB 0.173 63.354 63.200 -0.032 0.000 0.780 80 S HN -0.082 nan 8.310 nan 0.000 0.498 81 V N 1.495 121.398 119.914 -0.019 0.000 2.487 81 V HA 0.547 4.667 4.120 -0.000 0.000 0.298 81 V C -0.621 175.482 176.094 0.016 0.000 1.028 81 V CA -0.712 61.576 62.300 -0.020 0.000 0.860 81 V CB 1.745 33.531 31.823 -0.062 0.000 0.991 81 V HN 0.226 nan 8.190 nan 0.000 0.427 82 V N 5.387 125.334 119.914 0.055 0.000 2.444 82 V HA 0.407 4.527 4.120 -0.000 0.000 0.294 82 V C -0.209 175.947 176.094 0.104 0.000 1.022 82 V CA -0.625 61.708 62.300 0.056 0.000 0.850 82 V CB 2.164 34.015 31.823 0.047 0.000 0.992 82 V HN 0.621 nan 8.190 nan 0.000 0.426 83 V N 5.321 125.288 119.914 0.087 0.000 2.406 83 V HA 0.434 4.554 4.120 -0.000 0.000 0.272 83 V C 0.719 176.865 176.094 0.086 0.000 1.043 83 V CA -0.060 62.320 62.300 0.135 0.000 0.915 83 V CB 1.564 33.461 31.823 0.123 0.000 0.988 83 V HN 1.048 nan 8.190 nan 0.000 0.466 84 T N 1.389 116.003 114.554 0.099 0.000 2.948 84 T HA 0.347 4.697 4.350 -0.000 0.000 0.285 84 T C 0.350 175.087 174.700 0.062 0.000 1.019 84 T CA -0.732 61.404 62.100 0.060 0.000 1.013 84 T CB 1.495 70.391 68.868 0.047 0.000 1.117 84 T HN 0.385 nan 8.240 nan 0.000 0.533 85 S N 1.325 117.057 115.700 0.053 0.000 4.069 85 S HA 0.553 5.023 4.470 -0.000 0.000 0.192 85 S C 0.801 175.425 174.600 0.040 0.000 1.441 85 S CA 0.072 58.305 58.200 0.055 0.000 0.994 85 S CB -1.249 61.984 63.200 0.056 0.000 1.456 85 S HN 1.397 nan 8.310 nan 0.000 0.458 86 G N 0.892 109.706 108.800 0.023 0.000 2.663 86 G HA2 0.089 4.049 3.960 -0.000 0.000 0.686 86 G HA3 0.089 4.049 3.960 -0.000 0.000 0.686 86 G C 0.474 175.346 174.900 -0.046 0.000 1.246 86 G CA -0.542 44.549 45.100 -0.015 0.000 0.795 86 G HN 0.571 nan 8.290 nan 0.000 0.627 87 A N -0.169 122.588 122.820 -0.106 0.000 2.067 87 A HA 0.189 4.509 4.320 -0.000 0.000 0.219 87 A C 2.540 180.130 177.584 0.010 0.000 1.158 87 A CA 2.807 54.776 52.037 -0.113 0.000 0.661 87 A CB -0.626 18.258 19.000 -0.194 0.000 0.801 87 A HN 1.469 nan 8.150 nan 0.000 0.452 88 T N -0.494 114.089 114.554 0.048 0.000 2.746 88 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 88 T C 1.814 176.586 174.700 0.119 0.000 1.039 88 T CA 1.577 63.745 62.100 0.114 0.000 1.142 88 T CB -0.156 68.772 68.868 0.099 0.000 0.866 88 T HN 0.715 nan 8.240 nan 0.000 0.444 89 E N 0.366 120.616 120.200 0.083 0.000 2.285 89 E HA 0.029 4.379 4.350 -0.000 0.000 0.194 89 E C 2.224 178.895 176.600 0.119 0.000 0.997 89 E CA 0.559 57.023 56.400 0.107 0.000 0.845 89 E CB -0.059 29.682 29.700 0.069 0.000 0.782 89 E HN 0.475 nan 8.360 nan 0.000 0.491 90 A N 0.847 123.708 122.820 0.068 0.000 1.897 90 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 90 A C 2.099 179.702 177.584 0.032 0.000 1.181 90 A CA 0.630 52.686 52.037 0.032 0.000 0.620 90 A CB -0.420 18.577 19.000 -0.005 0.000 0.821 90 A HN 0.257 nan 8.150 nan 0.000 0.443 91 L N -2.026 119.247 121.223 0.084 0.000 2.093 91 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 91 L C 2.590 179.522 176.870 0.104 0.000 1.085 91 L CA 1.694 56.598 54.840 0.107 0.000 0.755 91 L CB -0.603 41.591 42.059 0.226 0.000 0.904 91 L HN 0.630 nan 8.230 nan 0.000 0.435 92 Y N 0.326 120.648 120.300 0.036 0.000 2.133 92 Y HA -0.216 4.334 4.550 -0.000 0.000 0.287 92 Y C 2.394 178.285 175.900 -0.015 0.000 1.134 92 Y CA 1.671 59.786 58.100 0.025 0.000 1.133 92 Y CB -0.278 38.204 38.460 0.037 0.000 0.987 92 Y HN -0.190 nan 8.280 nan 0.000 0.502 93 V N 0.255 120.199 119.914 0.049 0.000 2.720 93 V HA -0.256 3.864 4.120 -0.000 0.000 0.256 93 V C 2.183 178.157 176.094 -0.200 0.000 1.082 93 V CA 1.341 63.597 62.300 -0.072 0.000 1.101 93 V CB -0.721 31.134 31.823 0.053 0.000 0.693 93 V HN 0.378 nan 8.190 nan 0.000 0.479 94 L N -0.734 120.364 121.223 -0.207 0.000 1.982 94 L HA -0.047 4.293 4.340 -0.000 0.000 0.206 94 L C 2.220 178.880 176.870 -0.350 0.000 1.078 94 L CA 1.767 56.404 54.840 -0.338 0.000 0.749 94 L CB -0.744 41.130 42.059 -0.308 0.000 0.894 94 L HN 0.143 nan 8.230 nan 0.000 0.436 95 L N -0.888 120.173 121.223 -0.270 0.000 2.064 95 L HA -0.339 4.001 4.340 -0.000 0.000 0.216 95 L C 2.620 179.324 176.870 -0.275 0.000 1.077 95 L CA 1.597 56.289 54.840 -0.246 0.000 0.766 95 L CB -0.489 41.466 42.059 -0.173 0.000 0.890 95 L HN 0.431 nan 8.230 nan 0.000 0.435 96 Q N -0.493 119.100 119.800 -0.344 0.000 2.135 96 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 96 Q C 1.989 177.848 176.000 -0.234 0.000 0.981 96 Q CA 2.003 57.610 55.803 -0.327 0.000 0.856 96 Q CB 0.029 28.506 28.738 -0.434 0.000 0.902 96 Q HN 0.373 nan 8.270 nan 0.000 0.425 97 S N -1.025 114.517 115.700 -0.262 0.000 2.575 97 S HA 0.213 4.683 4.470 -0.000 0.000 0.215 97 S C 0.963 175.382 174.600 -0.302 0.000 0.966 97 S CA 0.066 58.118 58.200 -0.247 0.000 0.911 97 S CB 0.361 63.398 63.200 -0.271 0.000 0.780 97 S HN 0.350 nan 8.310 nan 0.000 0.514 98 L N 0.585 121.614 121.223 -0.323 0.000 2.878 98 L HA 0.355 4.695 4.340 -0.000 0.000 0.253 98 L C 0.154 176.942 176.870 -0.136 0.000 1.135 98 L CA -0.124 54.526 54.840 -0.318 0.000 0.943 98 L CB 0.608 42.344 42.059 -0.539 0.000 1.307 98 L HN 0.176 nan 8.230 nan 0.000 0.545 99 V N -3.232 116.603 119.914 -0.132 0.000 3.160 99 V HA 1.046 5.166 4.120 -0.000 0.000 0.310 99 V C -0.292 175.750 176.094 -0.086 0.000 1.181 99 V CA -0.256 61.995 62.300 -0.081 0.000 1.047 99 V CB 1.534 33.310 31.823 -0.078 0.000 1.068 99 V HN 0.041 nan 8.190 nan 0.000 0.441 100 G N -0.352 108.407 108.800 -0.068 0.000 2.561 100 G HA2 0.676 4.636 3.960 -0.000 0.000 0.310 100 G HA3 0.676 4.636 3.960 -0.000 0.000 0.310 100 G C -3.510 171.349 174.900 -0.069 0.000 1.292 100 G CA -1.128 43.928 45.100 -0.074 0.000 0.811 100 G HN 0.673 nan 8.290 nan 0.000 0.482 101 P HA 0.312 nan 4.420 nan 0.000 0.263 101 P C 0.932 178.205 177.300 -0.045 0.000 1.195 101 P CA 1.965 65.025 63.100 -0.066 0.000 0.762 101 P CB 0.968 32.631 31.700 -0.062 0.000 0.799 102 G N 2.199 110.975 108.800 -0.040 0.000 2.241 102 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.244 102 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.244 102 G C -0.054 174.834 174.900 -0.020 0.000 0.998 102 G CA -0.278 44.806 45.100 -0.026 0.000 0.621 102 G HN 0.501 nan 8.290 nan 0.000 0.519 103 D N 1.526 121.912 120.400 -0.025 0.000 2.264 103 D HA 0.538 5.178 4.640 -0.000 0.000 0.249 103 D C 0.492 176.780 176.300 -0.020 0.000 1.070 103 D CA 0.097 54.087 54.000 -0.017 0.000 0.912 103 D CB 1.072 41.861 40.800 -0.018 0.000 1.193 103 D HN 0.538 nan 8.370 nan 0.000 0.427 104 E N 0.068 120.262 120.200 -0.011 0.000 2.222 104 E HA 0.602 4.952 4.350 -0.000 0.000 0.267 104 E C -0.881 175.710 176.600 -0.015 0.000 0.963 104 E CA -1.057 55.334 56.400 -0.014 0.000 0.837 104 E CB 2.321 32.017 29.700 -0.008 0.000 1.183 104 E HN 0.070 nan 8.360 nan 0.000 0.403 105 V N 1.420 121.319 119.914 -0.025 0.000 2.612 105 V HA 0.193 4.313 4.120 -0.000 0.000 0.301 105 V C -0.230 175.840 176.094 -0.040 0.000 1.059 105 V CA -1.019 61.261 62.300 -0.033 0.000 0.886 105 V CB 1.573 33.365 31.823 -0.052 0.000 1.007 105 V HN 0.414 nan 8.190 nan 0.000 0.426 106 V N 4.702 124.593 119.914 -0.037 0.000 2.583 106 V HA 0.503 4.623 4.120 -0.000 0.000 0.287 106 V C -0.003 176.061 176.094 -0.050 0.000 1.051 106 V CA -0.236 62.043 62.300 -0.035 0.000 1.010 106 V CB 1.591 33.395 31.823 -0.033 0.000 0.988 106 V HN 0.643 nan 8.190 nan 0.000 0.478 107 V N 5.911 125.805 119.914 -0.034 0.000 2.567 107 V HA 0.358 4.478 4.120 -0.000 0.000 0.298 107 V C -0.149 175.981 176.094 0.060 0.000 1.047 107 V CA -0.484 61.796 62.300 -0.033 0.000 0.880 107 V CB 1.750 33.524 31.823 -0.081 0.000 1.009 107 V HN 0.680 nan 8.190 nan 0.000 0.429 108 L N 3.721 125.003 121.223 0.098 0.000 2.467 108 L HA 0.420 4.760 4.340 -0.000 0.000 0.270 108 L C 0.425 177.435 176.870 0.234 0.000 1.205 108 L CA 0.414 55.343 54.840 0.147 0.000 0.828 108 L CB 0.540 42.694 42.059 0.159 0.000 1.101 108 L HN 0.697 nan 8.230 nan 0.000 0.479 109 E N 3.710 124.032 120.200 0.204 0.000 2.293 109 E HA 0.418 4.768 4.350 -0.000 0.000 0.270 109 E C -2.581 174.033 176.600 0.023 0.000 0.879 109 E CA -2.219 54.309 56.400 0.213 0.000 0.756 109 E CB 2.443 32.347 29.700 0.340 0.000 1.208 109 E HN 0.211 nan 8.360 nan 0.000 0.428 110 P HA 0.048 nan 4.420 nan 0.000 0.268 110 P C -0.793 176.338 177.300 -0.282 0.000 1.205 110 P CA 0.159 62.870 63.100 -0.650 0.000 0.771 110 P CB 0.144 31.130 31.700 -1.190 0.000 0.858 111 F N 1.120 121.045 119.950 -0.043 0.000 2.585 111 F HA 0.665 5.192 4.527 -0.000 0.000 0.350 111 F C -0.487 175.395 175.800 0.137 0.000 1.074 111 F CA -1.912 56.170 58.000 0.138 0.000 1.032 111 F CB 0.371 39.531 39.000 0.267 0.000 1.330 111 F HN 0.149 nan 8.300 nan 0.000 0.495 112 F N 1.701 121.714 119.950 0.106 0.000 2.410 112 F HA 0.211 4.738 4.527 -0.000 0.000 0.349 112 F C 1.429 177.126 175.800 -0.173 0.000 1.117 112 F CA -0.557 57.301 58.000 -0.237 0.000 1.104 112 F CB 0.961 39.597 39.000 -0.608 0.000 1.122 112 F HN 0.857 nan 8.300 nan 0.000 0.483 113 D N 3.325 123.332 120.400 -0.655 0.000 2.664 113 D HA -0.272 4.368 4.640 -0.000 0.000 0.195 113 D C 1.307 177.313 176.300 -0.491 0.000 1.063 113 D CA 2.134 55.802 54.000 -0.554 0.000 0.935 113 D CB 0.114 40.574 40.800 -0.567 0.000 0.877 113 D HN 0.355 nan 8.370 nan 0.000 0.464 114 V N -0.460 119.017 119.914 -0.728 0.000 3.174 114 V HA -0.059 4.061 4.120 -0.000 0.000 0.254 114 V C 1.284 177.390 176.094 0.019 0.000 1.120 114 V CA 0.465 62.616 62.300 -0.249 0.000 1.114 114 V CB -0.574 31.202 31.823 -0.079 0.000 0.756 114 V HN 0.224 nan 8.190 nan 0.000 0.467 115 Y N 0.113 120.441 120.300 0.047 0.000 2.044 115 Y HA -0.216 4.334 4.550 -0.000 0.000 0.264 115 Y C 2.296 178.153 175.900 -0.072 0.000 1.111 115 Y CA 0.899 59.005 58.100 0.011 0.000 1.088 115 Y CB -1.580 36.883 38.460 0.005 0.000 0.981 115 Y HN 0.097 nan 8.280 nan 0.000 0.478 116 L N 0.003 121.211 121.223 -0.025 0.000 2.010 116 L HA -0.219 4.121 4.340 -0.000 0.000 0.219 116 L C -0.331 176.547 176.870 0.014 0.000 1.077 116 L CA 2.469 57.248 54.840 -0.101 0.000 0.773 116 L CB -2.420 39.478 42.059 -0.268 0.000 0.892 116 L HN 0.182 nan 8.230 nan 0.000 0.436 117 P HA -0.128 nan 4.420 nan 0.000 0.215 117 P C 1.023 178.410 177.300 0.145 0.000 1.153 117 P CA 1.428 64.547 63.100 0.031 0.000 0.853 117 P CB 0.014 31.708 31.700 -0.009 0.000 0.788 118 D N -1.012 119.476 120.400 0.148 0.000 2.117 118 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 118 D C 2.029 178.379 176.300 0.083 0.000 0.982 118 D CA 1.409 55.508 54.000 0.166 0.000 0.828 118 D CB -0.874 40.031 40.800 0.175 0.000 0.967 118 D HN 0.015 nan 8.370 nan 0.000 0.464 119 A N 0.593 123.457 122.820 0.074 0.000 1.841 119 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 119 A C 2.112 179.737 177.584 0.068 0.000 1.199 119 A CA 1.396 53.451 52.037 0.030 0.000 0.621 119 A CB -1.307 17.701 19.000 0.015 0.000 0.835 119 A HN 0.303 nan 8.150 nan 0.000 0.445 120 F N 0.729 120.661 119.950 -0.031 0.000 2.147 120 F HA -0.182 4.345 4.527 -0.000 0.000 0.301 120 F C 1.653 177.447 175.800 -0.009 0.000 1.084 120 F CA 1.809 59.798 58.000 -0.019 0.000 1.268 120 F CB -0.279 38.715 39.000 -0.010 0.000 1.009 120 F HN 0.136 nan 8.300 nan 0.000 0.486 121 L N -0.426 120.978 121.223 0.301 0.000 2.622 121 L HA 0.007 4.347 4.340 -0.000 0.000 0.233 121 L C 2.177 179.032 176.870 -0.025 0.000 1.156 121 L CA 0.646 55.597 54.840 0.184 0.000 0.866 121 L CB -0.779 41.454 42.059 0.289 0.000 0.980 121 L HN 0.321 nan 8.230 nan 0.000 0.448 122 A N -1.280 121.488 122.820 -0.087 0.000 2.192 122 A HA 0.485 4.805 4.320 -0.000 0.000 0.208 122 A C 1.729 179.227 177.584 -0.142 0.000 1.220 122 A CA 0.758 52.714 52.037 -0.135 0.000 0.900 122 A CB 0.444 19.352 19.000 -0.152 0.000 0.937 122 A HN 0.389 nan 8.150 nan 0.000 0.487 123 G N -1.073 107.621 108.800 -0.177 0.000 2.436 123 G HA2 0.146 4.106 3.960 -0.000 0.000 0.204 123 G HA3 0.146 4.106 3.960 -0.000 0.000 0.204 123 G C 0.871 175.688 174.900 -0.139 0.000 1.026 123 G CA 0.357 45.344 45.100 -0.189 0.000 0.658 123 G HN 1.562 nan 8.290 nan 0.000 0.499 124 A N 0.509 123.270 122.820 -0.097 0.000 2.454 124 A HA 0.490 4.810 4.320 -0.000 0.000 0.256 124 A C 0.608 178.164 177.584 -0.047 0.000 1.132 124 A CA 1.701 53.699 52.037 -0.064 0.000 0.810 124 A CB 0.121 19.087 19.000 -0.057 0.000 1.083 124 A HN 1.081 nan 8.150 nan 0.000 0.516 125 K N -0.721 119.661 120.400 -0.030 0.000 2.422 125 K HA 0.591 4.911 4.320 -0.000 0.000 0.251 125 K C -0.701 175.888 176.600 -0.018 0.000 0.933 125 K CA -0.370 55.909 56.287 -0.014 0.000 0.798 125 K CB 1.884 34.378 32.500 -0.011 0.000 1.238 125 K HN 0.920 nan 8.250 nan 0.000 0.428 126 A N 3.272 126.081 122.820 -0.018 0.000 2.404 126 A HA 0.295 4.615 4.320 -0.000 0.000 0.273 126 A C -0.201 177.369 177.584 -0.024 0.000 1.144 126 A CA -0.281 51.730 52.037 -0.042 0.000 0.806 126 A CB 0.179 19.130 19.000 -0.082 0.000 1.080 126 A HN 0.715 nan 8.150 nan 0.000 0.509 127 R N 2.863 123.348 120.500 -0.024 0.000 3.559 127 R HA 0.355 4.695 4.340 -0.000 0.000 0.273 127 R C -0.427 175.877 176.300 0.006 0.000 1.423 127 R CA -0.200 55.896 56.100 -0.007 0.000 1.581 127 R CB -0.436 29.857 30.300 -0.012 0.000 1.338 127 R HN 0.797 nan 8.270 nan 0.000 0.667 128 L N 0.936 122.172 121.223 0.022 0.000 2.529 128 L HA 0.063 4.403 4.340 -0.000 0.000 0.287 128 L C -0.075 176.838 176.870 0.072 0.000 1.241 128 L CA 0.127 55.005 54.840 0.064 0.000 0.857 128 L CB 0.405 42.529 42.059 0.109 0.000 1.113 128 L HN 0.086 nan 8.230 nan 0.000 0.504 129 V N 2.891 122.863 119.914 0.096 0.000 2.516 129 V HA 0.227 4.347 4.120 -0.000 0.000 0.271 129 V C 0.122 176.286 176.094 0.117 0.000 0.992 129 V CA -0.615 61.734 62.300 0.082 0.000 0.857 129 V CB 1.119 32.973 31.823 0.051 0.000 1.047 129 V HN 0.704 nan 8.190 nan 0.000 0.455 130 R N 3.394 123.974 120.500 0.135 0.000 2.421 130 R HA 0.314 4.654 4.340 -0.000 0.000 0.305 130 R C -0.462 175.928 176.300 0.151 0.000 1.039 130 R CA -0.430 55.774 56.100 0.172 0.000 1.003 130 R CB 0.346 30.751 30.300 0.175 0.000 0.959 130 R HN 0.489 nan 8.270 nan 0.000 0.427 131 L N 3.812 125.137 121.223 0.171 0.000 2.452 131 L HA 0.081 4.421 4.340 -0.000 0.000 0.267 131 L C 0.197 177.199 176.870 0.220 0.000 1.188 131 L CA 0.553 55.500 54.840 0.178 0.000 0.821 131 L CB 0.579 42.749 42.059 0.186 0.000 1.102 131 L HN 0.621 nan 8.230 nan 0.000 0.470 132 D N 2.164 122.672 120.400 0.179 0.000 2.312 132 D HA 0.109 4.749 4.640 -0.000 0.000 0.252 132 D C 0.167 176.555 176.300 0.146 0.000 1.150 132 D CA -0.314 53.769 54.000 0.138 0.000 0.870 132 D CB 1.649 42.499 40.800 0.083 0.000 1.153 132 D HN 0.222 nan 8.370 nan 0.000 0.457 133 L N 3.296 124.569 121.223 0.083 0.000 2.796 133 L HA 0.094 4.434 4.340 -0.000 0.000 0.235 133 L C 0.543 177.334 176.870 -0.132 0.000 1.344 133 L CA -0.186 54.576 54.840 -0.129 0.000 1.245 133 L CB -0.537 41.449 42.059 -0.122 0.000 1.556 133 L HN 0.259 nan 8.230 nan 0.000 0.423 134 T N 0.822 115.339 114.554 -0.063 0.000 2.855 134 T HA 0.122 4.472 4.350 -0.000 0.000 0.322 134 T C -1.510 173.199 174.700 0.015 0.000 1.088 134 T CA -0.761 61.333 62.100 -0.011 0.000 1.104 134 T CB 0.930 69.805 68.868 0.011 0.000 0.996 134 T HN 0.360 nan 8.240 nan 0.000 0.549 135 P HA 0.044 nan 4.420 nan 0.000 0.240 135 P C -0.018 177.324 177.300 0.071 0.000 1.186 135 P CA 0.802 63.949 63.100 0.078 0.000 0.755 135 P CB 0.027 31.749 31.700 0.037 0.000 0.870 136 E N -1.150 119.088 120.200 0.064 0.000 2.734 136 E HA 0.423 4.773 4.350 -0.000 0.000 0.211 136 E C 0.785 177.430 176.600 0.077 0.000 0.991 136 E CA -0.095 56.339 56.400 0.056 0.000 1.065 136 E CB 0.328 30.050 29.700 0.037 0.000 1.047 136 E HN 0.058 nan 8.360 nan 0.000 0.470 137 G N 0.203 109.055 108.800 0.087 0.000 2.655 137 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.680 137 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.680 137 G C -0.563 174.178 174.900 -0.265 0.000 1.302 137 G CA -1.098 43.953 45.100 -0.083 0.000 0.872 137 G HN 0.054 nan 8.290 nan 0.000 0.540 138 F N 0.353 120.305 119.950 0.004 0.000 2.440 138 F HA 0.792 5.319 4.527 -0.000 0.000 0.323 138 F C 1.250 177.084 175.800 0.056 0.000 1.192 138 F CA 0.650 58.656 58.000 0.009 0.000 1.252 138 F CB 0.993 39.991 39.000 -0.003 0.000 1.214 138 F HN 0.712 nan 8.300 nan 0.000 0.578 139 R N 1.216 121.875 120.500 0.265 0.000 2.644 139 R HA 0.444 4.783 4.340 -0.000 0.000 0.257 139 R C -2.278 174.108 176.300 0.142 0.000 1.082 139 R CA -0.989 55.216 56.100 0.176 0.000 0.927 139 R CB 1.290 31.657 30.300 0.111 0.000 1.258 139 R HN 0.618 nan 8.270 nan 0.000 0.459 140 L N 3.568 124.851 121.223 0.100 0.000 2.290 140 L HA 0.362 4.702 4.340 -0.000 0.000 0.284 140 L C -0.682 176.187 176.870 -0.002 0.000 1.078 140 L CA 0.266 55.125 54.840 0.032 0.000 0.815 140 L CB 1.192 43.203 42.059 -0.080 0.000 1.162 140 L HN 0.563 nan 8.230 nan 0.000 0.435 141 D N 5.040 125.445 120.400 0.008 0.000 2.443 141 D HA 0.099 4.739 4.640 -0.000 0.000 0.221 141 D C 1.125 177.411 176.300 -0.023 0.000 1.097 141 D CA -0.218 53.782 54.000 -0.000 0.000 0.865 141 D CB 0.847 41.658 40.800 0.018 0.000 1.034 141 D HN 0.716 nan 8.370 nan 0.000 0.511 142 L N 2.566 123.763 121.223 -0.044 0.000 2.129 142 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 142 L C 2.489 179.336 176.870 -0.038 0.000 1.087 142 L CA 0.862 55.667 54.840 -0.058 0.000 0.757 142 L CB -0.262 41.758 42.059 -0.066 0.000 0.896 142 L HN 0.320 nan 8.230 nan 0.000 0.434 143 S N -0.329 115.359 115.700 -0.021 0.000 2.348 143 S HA -0.192 4.278 4.470 -0.000 0.000 0.221 143 S C 2.208 176.802 174.600 -0.010 0.000 1.033 143 S CA 1.288 59.481 58.200 -0.012 0.000 1.010 143 S CB -0.360 62.838 63.200 -0.003 0.000 0.891 143 S HN 0.524 nan 8.310 nan 0.000 0.442 144 A N 1.240 124.057 122.820 -0.004 0.000 1.972 144 A HA -0.012 4.308 4.320 -0.000 0.000 0.219 144 A C 2.089 179.668 177.584 -0.007 0.000 1.169 144 A CA 1.073 53.112 52.037 0.003 0.000 0.635 144 A CB -0.653 18.357 19.000 0.016 0.000 0.810 144 A HN 0.485 nan 8.150 nan 0.000 0.446 145 L N -0.791 120.420 121.223 -0.021 0.000 2.005 145 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 145 L C 2.546 179.383 176.870 -0.055 0.000 1.072 145 L CA 2.282 57.099 54.840 -0.039 0.000 0.744 145 L CB -0.429 41.592 42.059 -0.062 0.000 0.895 145 L HN 0.603 nan 8.230 nan 0.000 0.433 146 E N 0.119 120.285 120.200 -0.056 0.000 2.085 146 E HA -0.313 4.037 4.350 -0.000 0.000 0.194 146 E C 2.034 178.605 176.600 -0.049 0.000 0.994 146 E CA 1.250 57.609 56.400 -0.067 0.000 0.801 146 E CB -0.036 29.640 29.700 -0.039 0.000 0.743 146 E HN 0.278 nan 8.360 nan 0.000 0.453 147 K N -0.182 120.204 120.400 -0.023 0.000 2.585 147 K HA -0.088 4.232 4.320 -0.000 0.000 0.194 147 K C 0.974 177.567 176.600 -0.011 0.000 1.037 147 K CA 0.791 57.073 56.287 -0.008 0.000 0.964 147 K CB 0.044 32.545 32.500 0.001 0.000 0.787 147 K HN 0.113 nan 8.250 nan 0.000 0.488 148 A N 0.506 123.309 122.820 -0.028 0.000 2.390 148 A HA 0.217 4.537 4.320 -0.000 0.000 0.232 148 A C -0.003 177.557 177.584 -0.041 0.000 1.233 148 A CA -0.345 51.677 52.037 -0.025 0.000 0.907 148 A CB 0.228 19.216 19.000 -0.020 0.000 0.967 148 A HN 0.105 nan 8.150 nan 0.000 0.512 149 L N 0.537 121.718 121.223 -0.070 0.000 2.399 149 L HA 0.621 4.961 4.340 -0.000 0.000 0.266 149 L C 0.810 177.679 176.870 -0.002 0.000 1.114 149 L CA 0.660 55.445 54.840 -0.090 0.000 0.804 149 L CB 1.446 43.327 42.059 -0.297 0.000 1.146 149 L HN 0.365 nan 8.230 nan 0.000 0.451 150 T N -2.076 112.496 114.554 0.030 0.000 2.731 150 T HA 0.494 4.844 4.350 -0.000 0.000 0.300 150 T C -2.465 172.278 174.700 0.071 0.000 1.283 150 T CA -1.209 60.924 62.100 0.055 0.000 1.005 150 T CB 1.337 70.221 68.868 0.026 0.000 1.420 150 T HN 0.289 nan 8.240 nan 0.000 0.503 151 P HA 0.296 nan 4.420 nan 0.000 0.233 151 P C 1.269 178.586 177.300 0.028 0.000 1.167 151 P CA 0.329 63.453 63.100 0.039 0.000 0.770 151 P CB 0.164 31.877 31.700 0.023 0.000 0.837 152 R N -1.224 119.290 120.500 0.023 0.000 2.064 152 R HA 0.091 4.431 4.340 -0.000 0.000 0.221 152 R C 0.450 176.760 176.300 0.016 0.000 1.136 152 R CA 0.620 56.728 56.100 0.014 0.000 0.980 152 R CB -0.997 29.307 30.300 0.006 0.000 0.876 152 R HN -0.031 nan 8.270 nan 0.000 0.437 153 T N 2.420 116.984 114.554 0.016 0.000 2.419 153 T HA -0.106 4.244 4.350 -0.000 0.000 0.229 153 T C 0.751 175.467 174.700 0.027 0.000 1.095 153 T CA 0.665 62.773 62.100 0.013 0.000 1.402 153 T CB 0.057 68.926 68.868 0.001 0.000 1.078 153 T HN 0.200 nan 8.240 nan 0.000 0.485 154 R N 1.218 121.739 120.500 0.036 0.000 2.362 154 R HA 0.476 4.816 4.340 -0.000 0.000 0.227 154 R C 0.497 176.881 176.300 0.141 0.000 0.905 154 R CA 0.059 56.204 56.100 0.075 0.000 1.067 154 R CB 0.581 30.931 30.300 0.082 0.000 1.078 154 R HN 0.687 nan 8.270 nan 0.000 0.516 155 A N 0.585 123.460 122.820 0.091 0.000 2.590 155 A HA 0.450 4.770 4.320 -0.000 0.000 0.294 155 A C -1.947 175.660 177.584 0.039 0.000 1.046 155 A CA -0.662 51.444 52.037 0.115 0.000 0.684 155 A CB 1.099 20.161 19.000 0.103 0.000 1.279 155 A HN 0.140 nan 8.150 nan 0.000 0.415 156 L N 1.849 123.099 121.223 0.045 0.000 2.356 156 L HA 0.736 5.076 4.340 -0.000 0.000 0.277 156 L C -1.356 175.507 176.870 -0.012 0.000 0.996 156 L CA -0.848 53.994 54.840 0.003 0.000 0.822 156 L CB 1.382 43.444 42.059 0.005 0.000 1.256 156 L HN 0.789 nan 8.230 nan 0.000 0.413 157 L N 6.121 127.300 121.223 -0.072 0.000 2.276 157 L HA 0.507 4.847 4.340 -0.000 0.000 0.286 157 L C -1.067 175.732 176.870 -0.119 0.000 1.024 157 L CA -0.400 54.352 54.840 -0.147 0.000 0.826 157 L CB 1.097 42.963 42.059 -0.322 0.000 1.211 157 L HN 0.644 nan 8.230 nan 0.000 0.422 158 L N 4.774 125.980 121.223 -0.028 0.000 2.332 158 L HA 0.508 4.848 4.340 -0.000 0.000 0.269 158 L C -0.251 176.649 176.870 0.049 0.000 1.016 158 L CA -0.658 54.230 54.840 0.080 0.000 0.809 158 L CB 1.896 44.071 42.059 0.193 0.000 1.280 158 L HN 0.640 nan 8.230 nan 0.000 0.447 159 N N 0.176 118.909 118.700 0.054 0.000 2.581 159 N HA 0.229 4.969 4.740 -0.000 0.000 0.279 159 N C -1.690 173.694 175.510 -0.209 0.000 1.124 159 N CA -0.018 53.032 53.050 0.001 0.000 0.833 159 N CB 1.652 40.211 38.487 0.119 0.000 1.338 159 N HN 0.531 nan 8.380 nan 0.000 0.533 160 T N 3.152 117.592 114.554 -0.189 0.000 3.011 160 T HA 0.434 4.784 4.350 -0.000 0.000 0.303 160 T C -2.918 171.708 174.700 -0.123 0.000 0.997 160 T CA -1.195 60.717 62.100 -0.313 0.000 1.007 160 T CB 1.551 70.142 68.868 -0.461 0.000 1.017 160 T HN 0.229 nan 8.240 nan 0.000 0.443 161 P HA 0.187 nan 4.420 nan 0.000 0.268 161 P C -0.594 176.571 177.300 -0.225 0.000 1.208 161 P CA -0.232 62.754 63.100 -0.189 0.000 0.777 161 P CB 0.382 31.997 31.700 -0.141 0.000 0.875 162 M N 3.149 122.576 119.600 -0.289 0.000 2.188 162 M HA 0.282 4.761 4.480 -0.000 0.000 0.357 162 M C -0.305 175.837 176.300 -0.264 0.000 1.204 162 M CA -0.415 54.727 55.300 -0.263 0.000 1.095 162 M CB 0.461 32.884 32.600 -0.295 0.000 1.604 162 M HN 0.155 nan 8.290 nan 0.000 0.464 163 N N 6.222 124.766 118.700 -0.260 0.000 2.408 163 N HA 0.464 5.204 4.740 -0.000 0.000 0.280 163 N C -2.361 172.886 175.510 -0.438 0.000 1.002 163 N CA -2.078 50.751 53.050 -0.368 0.000 0.907 163 N CB 1.639 39.923 38.487 -0.338 0.000 1.161 163 N HN 0.403 nan 8.380 nan 0.000 0.488 164 P HA 0.077 nan 4.420 nan 0.000 0.261 164 P C 0.721 177.758 177.300 -0.438 0.000 1.268 164 P CA 0.382 63.017 63.100 -0.774 0.000 0.833 164 P CB 0.222 31.085 31.700 -1.396 0.000 1.231 165 T N -3.512 110.779 114.554 -0.438 0.000 2.821 165 T HA 0.068 4.418 4.350 -0.000 0.000 0.267 165 T C 1.735 176.449 174.700 0.024 0.000 1.046 165 T CA 1.514 63.453 62.100 -0.267 0.000 1.139 165 T CB -1.360 67.237 68.868 -0.451 0.000 0.871 165 T HN 0.207 nan 8.240 nan 0.000 0.454 166 G N 0.696 109.463 108.800 -0.054 0.000 2.141 166 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.242 166 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.242 166 G C -0.189 174.727 174.900 0.027 0.000 0.982 166 G CA 0.034 45.142 45.100 0.013 0.000 0.662 166 G HN 0.694 nan 8.290 nan 0.000 0.527 167 L N 0.989 122.204 121.223 -0.013 0.000 2.397 167 L HA 0.620 4.960 4.340 -0.000 0.000 0.271 167 L C 0.466 177.267 176.870 -0.115 0.000 1.148 167 L CA -0.212 54.632 54.840 0.007 0.000 0.825 167 L CB 1.631 43.724 42.059 0.057 0.000 1.117 167 L HN 0.052 nan 8.230 nan 0.000 0.456 168 V N 5.540 125.439 119.914 -0.026 0.000 2.409 168 V HA 0.322 4.442 4.120 -0.000 0.000 0.291 168 V C -0.034 176.109 176.094 0.083 0.000 1.020 168 V CA -0.667 61.595 62.300 -0.064 0.000 0.848 168 V CB 1.083 32.899 31.823 -0.012 0.000 0.990 168 V HN 0.460 nan 8.190 nan 0.000 0.430 169 F N 2.971 122.913 119.950 -0.013 0.000 2.543 169 F HA 0.380 4.907 4.527 -0.000 0.000 0.375 169 F C 1.379 177.153 175.800 -0.042 0.000 1.075 169 F CA -0.227 57.755 58.000 -0.031 0.000 1.225 169 F CB 0.875 39.843 39.000 -0.052 0.000 1.099 169 F HN 0.611 nan 8.300 nan 0.000 0.561 170 G N 2.551 111.448 108.800 0.161 0.000 2.476 170 G HA2 0.101 4.061 3.960 -0.000 0.000 0.286 170 G HA3 0.101 4.061 3.960 -0.000 0.000 0.286 170 G C 0.600 175.507 174.900 0.011 0.000 1.177 170 G CA -0.449 44.692 45.100 0.070 0.000 0.870 170 G HN 0.848 nan 8.290 nan 0.000 0.528 171 E N 0.801 121.027 120.200 0.043 0.000 2.068 171 E HA -0.282 4.068 4.350 -0.000 0.000 0.207 171 E C 2.340 178.931 176.600 -0.016 0.000 1.032 171 E CA 1.789 58.237 56.400 0.081 0.000 0.839 171 E CB -0.075 29.739 29.700 0.189 0.000 0.758 171 E HN 0.585 nan 8.360 nan 0.000 0.457 172 R N 0.125 120.631 120.500 0.011 0.000 2.105 172 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 172 R C 2.483 178.725 176.300 -0.097 0.000 1.135 172 R CA 1.807 57.900 56.100 -0.012 0.000 0.967 172 R CB -0.275 30.027 30.300 0.003 0.000 0.861 172 R HN 0.405 nan 8.270 nan 0.000 0.442 173 E N 0.328 120.448 120.200 -0.135 0.000 2.072 173 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 173 E C 1.971 178.378 176.600 -0.321 0.000 0.985 173 E CA 0.714 56.981 56.400 -0.221 0.000 0.801 173 E CB 0.034 29.580 29.700 -0.257 0.000 0.750 173 E HN 0.155 nan 8.360 nan 0.000 0.452 174 L N 1.445 122.425 121.223 -0.406 0.000 2.046 174 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 174 L C 2.144 178.633 176.870 -0.634 0.000 1.077 174 L CA 1.660 56.139 54.840 -0.603 0.000 0.747 174 L CB -1.233 40.234 42.059 -0.987 0.000 0.896 174 L HN 0.188 nan 8.230 nan 0.000 0.432 175 E N 0.292 120.154 120.200 -0.562 0.000 2.033 175 E HA -0.254 4.096 4.350 -0.000 0.000 0.199 175 E C 2.253 178.797 176.600 -0.093 0.000 1.011 175 E CA 1.451 57.763 56.400 -0.145 0.000 0.815 175 E CB -0.235 29.504 29.700 0.065 0.000 0.755 175 E HN 0.467 nan 8.360 nan 0.000 0.451 176 A N 1.118 123.871 122.820 -0.111 0.000 1.958 176 A HA -0.240 4.080 4.320 -0.000 0.000 0.221 176 A C 2.176 179.702 177.584 -0.097 0.000 1.178 176 A CA 1.556 53.540 52.037 -0.088 0.000 0.642 176 A CB -0.706 18.229 19.000 -0.108 0.000 0.816 176 A HN 0.204 nan 8.150 nan 0.000 0.453 177 I N -1.111 119.371 120.570 -0.147 0.000 2.339 177 I HA -0.131 4.039 4.170 -0.000 0.000 0.245 177 I C 2.935 179.016 176.117 -0.060 0.000 1.096 177 I CA 0.823 62.050 61.300 -0.122 0.000 1.408 177 I CB -0.423 37.479 38.000 -0.164 0.000 1.092 177 I HN 0.332 nan 8.210 nan 0.000 0.423 178 A N 0.931 123.720 122.820 -0.052 0.000 1.978 178 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 178 A C 2.407 180.017 177.584 0.044 0.000 1.170 178 A CA 1.636 53.693 52.037 0.032 0.000 0.636 178 A CB -0.634 18.438 19.000 0.120 0.000 0.810 178 A HN 0.337 nan 8.150 nan 0.000 0.448 179 R N -0.309 120.208 120.500 0.029 0.000 2.082 179 R HA -0.054 4.286 4.340 -0.000 0.000 0.228 179 R C 2.064 178.389 176.300 0.042 0.000 1.140 179 R CA 1.649 57.772 56.100 0.038 0.000 0.920 179 R CB -0.526 29.790 30.300 0.027 0.000 0.828 179 R HN 0.483 nan 8.270 nan 0.000 0.430 180 L N 0.720 121.953 121.223 0.017 0.000 2.051 180 L HA -0.254 4.086 4.340 -0.000 0.000 0.214 180 L C 2.773 179.668 176.870 0.042 0.000 1.076 180 L CA 1.464 56.315 54.840 0.018 0.000 0.758 180 L CB -0.773 41.244 42.059 -0.070 0.000 0.890 180 L HN 0.444 nan 8.230 nan 0.000 0.433 181 A N 0.542 123.373 122.820 0.017 0.000 1.859 181 A HA -0.282 4.037 4.320 -0.000 0.000 0.218 181 A C 2.348 179.965 177.584 0.054 0.000 1.209 181 A CA 2.220 54.274 52.037 0.029 0.000 0.639 181 A CB -0.660 18.361 19.000 0.034 0.000 0.835 181 A HN 0.381 nan 8.150 nan 0.000 0.450 182 R N -0.597 119.934 120.500 0.052 0.000 2.091 182 R HA -0.101 4.239 4.340 -0.000 0.000 0.238 182 R C 2.489 178.822 176.300 0.055 0.000 1.136 182 R CA 1.284 57.409 56.100 0.041 0.000 0.959 182 R CB -0.648 29.674 30.300 0.037 0.000 0.856 182 R HN 0.534 nan 8.270 nan 0.000 0.437 183 A N 1.052 123.933 122.820 0.102 0.000 1.917 183 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 183 A C 1.213 178.807 177.584 0.017 0.000 1.182 183 A CA 1.824 53.918 52.037 0.095 0.000 0.633 183 A CB -0.497 18.624 19.000 0.202 0.000 0.819 183 A HN 0.404 nan 8.150 nan 0.000 0.448 184 H N -2.619 116.439 119.070 -0.021 0.000 2.652 184 H HA 0.301 4.857 4.556 -0.000 0.000 0.274 184 H C 0.086 175.390 175.328 -0.041 0.000 1.021 184 H CA 0.100 56.133 56.048 -0.025 0.000 1.187 184 H CB 0.300 30.051 29.762 -0.019 0.000 1.505 184 H HN 0.531 nan 8.280 nan 0.000 0.530 185 D N 0.115 120.549 120.400 0.056 0.000 2.945 185 D HA -0.168 4.472 4.640 -0.000 0.000 0.225 185 D C -0.628 175.625 176.300 -0.079 0.000 1.158 185 D CA 0.214 54.196 54.000 -0.031 0.000 0.805 185 D CB -1.150 39.616 40.800 -0.057 0.000 1.098 185 D HN 0.329 nan 8.370 nan 0.000 0.426 186 L N -0.118 121.096 121.223 -0.015 0.000 2.452 186 L HA 0.293 4.633 4.340 -0.000 0.000 0.267 186 L C 1.120 177.986 176.870 -0.007 0.000 1.188 186 L CA -0.340 54.495 54.840 -0.010 0.000 0.821 186 L CB 0.200 42.273 42.059 0.023 0.000 1.102 186 L HN -0.082 nan 8.230 nan 0.000 0.470 187 F N 1.745 121.712 119.950 0.028 0.000 2.382 187 F HA 0.408 4.935 4.527 -0.000 0.000 0.331 187 F C 0.258 176.096 175.800 0.063 0.000 1.121 187 F CA -0.227 57.806 58.000 0.056 0.000 1.183 187 F CB 0.901 39.923 39.000 0.037 0.000 1.207 187 F HN 0.146 nan 8.300 nan 0.000 0.555 188 L N 4.877 126.342 121.223 0.403 0.000 2.349 188 L HA 0.503 4.843 4.340 -0.000 0.000 0.278 188 L C -0.866 176.154 176.870 0.250 0.000 0.996 188 L CA -0.394 54.587 54.840 0.236 0.000 0.825 188 L CB 1.764 43.926 42.059 0.173 0.000 1.243 188 L HN 0.423 nan 8.230 nan 0.000 0.412 189 I N 2.349 123.003 120.570 0.139 0.000 2.411 189 I HA 0.227 4.397 4.170 -0.000 0.000 0.284 189 I C -0.198 175.960 176.117 0.068 0.000 1.012 189 I CA -0.094 61.265 61.300 0.099 0.000 1.119 189 I CB 2.015 40.002 38.000 -0.022 0.000 1.261 189 I HN 0.488 nan 8.210 nan 0.000 0.448 190 S N 5.303 121.065 115.700 0.104 0.000 2.474 190 S HA 0.220 4.690 4.470 -0.000 0.000 0.321 190 S C -0.577 174.068 174.600 0.074 0.000 1.080 190 S CA -0.655 57.599 58.200 0.090 0.000 1.106 190 S CB 0.692 63.964 63.200 0.119 0.000 0.984 190 S HN 0.527 nan 8.310 nan 0.000 0.464 191 D N 4.038 124.472 120.400 0.056 0.000 2.393 191 D HA 0.184 4.824 4.640 -0.000 0.000 0.232 191 D C -0.137 176.173 176.300 0.017 0.000 1.192 191 D CA 0.035 54.063 54.000 0.046 0.000 0.882 191 D CB 0.657 41.530 40.800 0.121 0.000 1.038 191 D HN 0.668 nan 8.370 nan 0.000 0.499 192 E N 2.589 122.794 120.200 0.009 0.000 2.989 192 E HA 0.039 4.389 4.350 -0.000 0.000 0.207 192 E C 1.762 178.334 176.600 -0.047 0.000 0.989 192 E CA -0.112 56.301 56.400 0.021 0.000 1.186 192 E CB 0.883 30.645 29.700 0.103 0.000 1.141 192 E HN 0.377 nan 8.360 nan 0.000 0.454 193 V N -1.608 118.193 119.914 -0.189 0.000 2.546 193 V HA -0.259 3.861 4.120 -0.000 0.000 0.254 193 V C 1.180 176.978 176.094 -0.494 0.000 1.076 193 V CA 1.414 63.476 62.300 -0.398 0.000 1.087 193 V CB -0.802 30.680 31.823 -0.568 0.000 0.674 193 V HN 0.342 nan 8.190 nan 0.000 0.470 194 Y N 2.335 122.516 120.300 -0.198 0.000 2.645 194 Y HA 0.216 4.766 4.550 -0.000 0.000 0.307 194 Y C 1.818 177.629 175.900 -0.148 0.000 1.151 194 Y CA -0.306 57.652 58.100 -0.236 0.000 1.291 194 Y CB -0.652 37.621 38.460 -0.312 0.000 1.135 194 Y HN 0.481 nan 8.280 nan 0.000 0.523 195 D N -0.391 120.010 120.400 0.002 0.000 2.133 195 D HA -0.222 4.418 4.640 -0.000 0.000 0.195 195 D C 1.182 177.526 176.300 0.072 0.000 0.997 195 D CA 1.521 55.553 54.000 0.053 0.000 0.840 195 D CB -0.069 40.779 40.800 0.080 0.000 0.947 195 D HN 0.229 nan 8.370 nan 0.000 0.452 196 E N -0.695 119.438 120.200 -0.112 0.000 2.489 196 E HA 0.088 4.438 4.350 -0.000 0.000 0.193 196 E C 0.200 176.557 176.600 -0.405 0.000 1.057 196 E CA -0.140 56.090 56.400 -0.283 0.000 0.866 196 E CB 0.201 29.460 29.700 -0.735 0.000 0.916 196 E HN 0.256 nan 8.360 nan 0.000 0.500 197 L N 2.038 123.098 121.223 -0.272 0.000 2.426 197 L HA 0.196 4.536 4.340 -0.000 0.000 0.255 197 L C -1.198 175.368 176.870 -0.507 0.000 1.080 197 L CA -0.856 53.741 54.840 -0.404 0.000 0.960 197 L CB -0.351 41.550 42.059 -0.264 0.000 1.326 197 L HN -0.128 nan 8.230 nan 0.000 0.441 198 Y N 0.712 120.710 120.300 -0.503 0.000 2.576 198 Y HA 0.587 5.137 4.550 -0.000 0.000 0.346 198 Y C -0.769 174.751 175.900 -0.633 0.000 1.018 198 Y CA -1.290 56.464 58.100 -0.577 0.000 1.050 198 Y CB 0.813 39.123 38.460 -0.250 0.000 1.280 198 Y HN 0.211 nan 8.280 nan 0.000 0.474 199 Y N 0.691 121.121 120.300 0.216 0.000 2.557 199 Y HA 0.596 5.146 4.550 -0.000 0.000 0.247 199 Y C 0.922 176.924 175.900 0.170 0.000 1.164 199 Y CA -0.460 57.726 58.100 0.144 0.000 1.218 199 Y CB 0.840 39.353 38.460 0.088 0.000 1.210 199 Y HN 0.960 nan 8.280 nan 0.000 0.529 200 G N -0.548 108.439 108.800 0.311 0.000 3.302 200 G HA2 0.341 4.301 3.960 -0.000 0.000 0.170 200 G HA3 0.341 4.301 3.960 -0.000 0.000 0.170 200 G C -0.895 174.100 174.900 0.158 0.000 1.119 200 G CA -0.499 44.719 45.100 0.196 0.000 0.826 200 G HN -0.031 nan 8.290 nan 0.000 0.646 201 E N -0.066 120.162 120.200 0.047 0.000 2.409 201 E HA 0.318 4.668 4.350 -0.000 0.000 0.257 201 E C 0.547 177.017 176.600 -0.216 0.000 1.150 201 E CA -0.250 56.139 56.400 -0.019 0.000 0.942 201 E CB 0.527 30.214 29.700 -0.022 0.000 0.979 201 E HN 0.348 nan 8.360 nan 0.000 0.447 202 R N 2.951 123.289 120.500 -0.270 0.000 2.316 202 R HA 0.160 4.500 4.340 -0.000 0.000 0.314 202 R C -1.919 174.111 176.300 -0.451 0.000 1.069 202 R CA -1.419 54.298 56.100 -0.638 0.000 0.959 202 R CB 0.206 30.338 30.300 -0.280 0.000 0.987 202 R HN 0.405 nan 8.270 nan 0.000 0.446 203 P HA 0.023 nan 4.420 nan 0.000 0.271 203 P C -0.990 176.246 177.300 -0.106 0.000 1.233 203 P CA 0.012 62.970 63.100 -0.236 0.000 0.789 203 P CB 0.677 32.250 31.700 -0.212 0.000 0.951 204 R N 1.904 122.414 120.500 0.017 0.000 2.255 204 R HA 0.311 4.651 4.340 -0.000 0.000 0.326 204 R C 0.886 177.289 176.300 0.173 0.000 0.986 204 R CA -0.680 55.493 56.100 0.122 0.000 0.847 204 R CB 1.212 31.665 30.300 0.256 0.000 1.111 204 R HN 0.543 nan 8.270 nan 0.000 0.452 205 R N 1.016 121.614 120.500 0.163 0.000 2.905 205 R HA -0.078 4.262 4.340 -0.000 0.000 0.273 205 R C 1.361 177.821 176.300 0.265 0.000 1.033 205 R CA -0.162 56.051 56.100 0.190 0.000 1.182 205 R CB 0.333 30.752 30.300 0.198 0.000 1.097 205 R HN 0.316 nan 8.270 nan 0.000 0.504 206 L N 1.756 123.110 121.223 0.220 0.000 2.416 206 L HA 0.043 4.382 4.340 -0.000 0.000 0.216 206 L C 2.120 179.146 176.870 0.260 0.000 1.098 206 L CA 1.120 56.086 54.840 0.211 0.000 0.840 206 L CB -0.279 41.858 42.059 0.130 0.000 0.981 206 L HN 0.535 nan 8.230 nan 0.000 0.462 207 R N -1.046 119.583 120.500 0.216 0.000 2.280 207 R HA -0.067 4.273 4.340 -0.000 0.000 0.207 207 R C 1.456 177.852 176.300 0.161 0.000 1.043 207 R CA 0.995 57.193 56.100 0.164 0.000 1.006 207 R CB -0.574 29.804 30.300 0.129 0.000 0.885 207 R HN 0.434 nan 8.270 nan 0.000 0.467 208 E N 0.934 121.258 120.200 0.206 0.000 2.017 208 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 208 E C 1.577 178.178 176.600 0.002 0.000 0.997 208 E CA 1.513 57.944 56.400 0.052 0.000 0.804 208 E CB -0.195 29.457 29.700 -0.080 0.000 0.757 208 E HN 0.328 nan 8.360 nan 0.000 0.448 209 F N 0.396 120.364 119.950 0.031 0.000 2.146 209 F HA -0.024 4.503 4.527 -0.000 0.000 0.298 209 F C 1.627 177.440 175.800 0.021 0.000 1.096 209 F CA 0.895 58.909 58.000 0.023 0.000 1.275 209 F CB -0.084 38.931 39.000 0.023 0.000 1.008 209 F HN -0.079 nan 8.300 nan 0.000 0.480 210 A N 0.069 123.030 122.820 0.236 0.000 3.105 210 A HA 0.362 4.682 4.320 -0.000 0.000 0.297 210 A C -1.507 176.132 177.584 0.091 0.000 0.977 210 A CA -1.008 51.109 52.037 0.133 0.000 1.020 210 A CB -0.624 18.448 19.000 0.119 0.000 1.098 210 A HN -0.007 nan 8.150 nan 0.000 0.497 211 P HA -0.308 nan 4.420 nan 0.000 0.217 211 P C 1.295 178.601 177.300 0.010 0.000 1.162 211 P CA 2.069 65.189 63.100 0.034 0.000 0.901 211 P CB 0.131 31.843 31.700 0.019 0.000 0.793 212 E N 1.778 121.990 120.200 0.020 0.000 2.219 212 E HA -0.221 4.129 4.350 -0.000 0.000 0.198 212 E C 1.666 178.311 176.600 0.075 0.000 0.998 212 E CA 1.436 57.853 56.400 0.028 0.000 0.818 212 E CB -0.761 28.954 29.700 0.025 0.000 0.741 212 E HN 0.486 nan 8.360 nan 0.000 0.477 213 R N 0.022 120.565 120.500 0.072 0.000 2.508 213 R HA 0.281 4.621 4.340 -0.000 0.000 0.300 213 R C -0.210 176.183 176.300 0.155 0.000 0.970 213 R CA -0.229 55.954 56.100 0.139 0.000 1.102 213 R CB 0.163 30.506 30.300 0.072 0.000 1.246 213 R HN -0.147 nan 8.270 nan 0.000 0.539 214 T N 1.361 115.928 114.554 0.020 0.000 2.795 214 T HA 0.412 4.762 4.350 -0.000 0.000 0.282 214 T C -1.075 173.531 174.700 -0.158 0.000 0.980 214 T CA -0.145 61.969 62.100 0.023 0.000 1.012 214 T CB 0.934 69.842 68.868 0.067 0.000 0.936 214 T HN 0.052 nan 8.240 nan 0.000 0.457 215 F N 1.980 121.981 119.950 0.085 0.000 2.403 215 F HA 0.332 4.859 4.527 -0.000 0.000 0.355 215 F C 0.809 176.627 175.800 0.030 0.000 1.119 215 F CA -0.772 57.249 58.000 0.035 0.000 1.007 215 F CB 1.463 40.447 39.000 -0.027 0.000 1.194 215 F HN 0.392 nan 8.300 nan 0.000 0.443 216 T N 3.998 118.649 114.554 0.161 0.000 2.744 216 T HA 0.439 4.789 4.350 -0.000 0.000 0.291 216 T C -0.210 174.561 174.700 0.119 0.000 0.957 216 T CA -0.469 61.708 62.100 0.128 0.000 1.002 216 T CB 1.059 69.989 68.868 0.103 0.000 0.919 216 T HN 0.143 nan 8.240 nan 0.000 0.468 217 V N 3.259 123.226 119.914 0.087 0.000 2.427 217 V HA 0.811 4.931 4.120 -0.000 0.000 0.286 217 V C 0.710 176.726 176.094 -0.130 0.000 1.034 217 V CA -0.402 61.889 62.300 -0.015 0.000 0.893 217 V CB 1.604 33.410 31.823 -0.029 0.000 0.982 217 V HN 1.028 nan 8.190 nan 0.000 0.452 218 G N 2.271 110.754 108.800 -0.528 0.000 2.658 218 G HA2 0.648 4.608 3.960 -0.000 0.000 0.292 218 G HA3 0.648 4.608 3.960 -0.000 0.000 0.292 218 G C -1.259 172.769 174.900 -1.453 0.000 1.320 218 G CA -0.559 44.002 45.100 -0.898 0.000 0.933 218 G HN 0.696 nan 8.290 nan 0.000 0.476 219 S N -1.128 113.878 115.700 -1.156 0.000 2.571 219 S HA 0.581 5.051 4.470 -0.000 0.000 0.284 219 S C 1.026 175.312 174.600 -0.523 0.000 1.128 219 S CA 0.368 58.078 58.200 -0.817 0.000 0.970 219 S CB 1.538 64.457 63.200 -0.468 0.000 1.039 219 S HN 1.373 nan 8.310 nan 0.000 0.485 220 A N 4.175 126.853 122.820 -0.237 0.000 1.873 220 A HA 0.170 4.490 4.320 -0.000 0.000 0.215 220 A C 2.062 179.669 177.584 0.039 0.000 1.186 220 A CA 1.815 53.935 52.037 0.137 0.000 0.616 220 A CB -1.458 17.703 19.000 0.268 0.000 0.823 220 A HN 1.149 nan 8.150 nan 0.000 0.442 221 G N -0.610 108.165 108.800 -0.042 0.000 2.462 221 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.220 221 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.220 221 G C 1.476 176.343 174.900 -0.056 0.000 1.121 221 G CA 0.990 46.047 45.100 -0.072 0.000 0.758 221 G HN 0.396 nan 8.290 nan 0.000 0.559 222 K N -0.222 120.103 120.400 -0.126 0.000 2.393 222 K HA 0.203 4.523 4.320 -0.000 0.000 0.193 222 K C 2.280 178.825 176.600 -0.091 0.000 1.026 222 K CA -0.109 56.062 56.287 -0.194 0.000 1.064 222 K CB 0.218 32.387 32.500 -0.551 0.000 0.833 222 K HN 0.150 nan 8.250 nan 0.000 0.521 223 R N 0.164 120.684 120.500 0.034 0.000 2.087 223 R HA 0.214 4.554 4.340 -0.000 0.000 0.216 223 R C 1.531 178.078 176.300 0.411 0.000 1.114 223 R CA 0.592 56.822 56.100 0.217 0.000 1.002 223 R CB 0.065 30.572 30.300 0.345 0.000 0.903 223 R HN 0.083 nan 8.270 nan 0.000 0.445 224 L N 1.873 123.262 121.223 0.277 0.000 2.928 224 L HA 0.221 4.561 4.340 -0.000 0.000 0.246 224 L C -0.299 176.613 176.870 0.070 0.000 1.239 224 L CA -0.110 54.857 54.840 0.213 0.000 1.035 224 L CB 0.212 42.310 42.059 0.064 0.000 1.360 224 L HN 0.051 nan 8.230 nan 0.000 0.529 225 E N 0.098 120.374 120.200 0.126 0.000 2.440 225 E HA -0.255 4.095 4.350 -0.000 0.000 0.246 225 E C 0.440 176.986 176.600 -0.091 0.000 1.165 225 E CA 0.834 57.273 56.400 0.065 0.000 0.726 225 E CB -1.140 28.626 29.700 0.110 0.000 1.271 225 E HN 0.557 nan 8.360 nan 0.000 0.397 226 A N 0.468 123.169 122.820 -0.198 0.000 3.297 226 A HA 0.326 4.645 4.320 -0.000 0.000 0.304 226 A C 1.331 178.730 177.584 -0.309 0.000 0.963 226 A CA 0.250 52.007 52.037 -0.467 0.000 0.935 226 A CB 0.007 18.368 19.000 -1.066 0.000 1.093 226 A HN 0.230 nan 8.150 nan 0.000 0.480 227 T N -3.042 111.446 114.554 -0.110 0.000 2.996 227 T HA -0.082 4.268 4.350 -0.000 0.000 0.271 227 T C 1.396 176.094 174.700 -0.003 0.000 1.126 227 T CA 1.866 63.948 62.100 -0.030 0.000 1.103 227 T CB -0.124 68.769 68.868 0.043 0.000 0.870 227 T HN 0.663 nan 8.240 nan 0.000 0.528 228 G N -1.142 107.668 108.800 0.017 0.000 3.189 228 G HA2 0.216 4.176 3.960 -0.000 0.000 0.225 228 G HA3 0.216 4.176 3.960 -0.000 0.000 0.225 228 G C 0.698 175.778 174.900 0.299 0.000 1.159 228 G CA -0.320 44.850 45.100 0.117 0.000 0.763 228 G HN 0.455 nan 8.290 nan 0.000 0.549 229 Y N 0.724 121.023 120.300 -0.000 0.000 2.475 229 Y HA 0.141 4.691 4.550 -0.000 0.000 0.289 229 Y C 1.112 177.022 175.900 0.017 0.000 1.121 229 Y CA -0.358 57.748 58.100 0.010 0.000 1.257 229 Y CB 0.289 38.762 38.460 0.021 0.000 1.026 229 Y HN 0.098 nan 8.280 nan 0.000 0.555 230 R N -0.561 120.039 120.500 0.167 0.000 3.209 230 R HA -0.116 4.224 4.340 -0.000 0.000 0.252 230 R C -1.365 174.994 176.300 0.097 0.000 0.958 230 R CA 0.205 56.362 56.100 0.095 0.000 0.651 230 R CB -3.008 27.336 30.300 0.074 0.000 1.142 230 R HN 0.051 nan 8.270 nan 0.000 0.441 231 V N -0.352 119.626 119.914 0.106 0.000 2.447 231 V HA 0.799 4.919 4.120 -0.000 0.000 0.292 231 V C 0.987 177.127 176.094 0.077 0.000 1.021 231 V CA -0.054 62.324 62.300 0.131 0.000 0.850 231 V CB 2.107 34.050 31.823 0.200 0.000 1.005 231 V HN 0.565 nan 8.190 nan 0.000 0.426 232 G N 3.340 112.169 108.800 0.048 0.000 3.211 232 G HA2 0.888 4.848 3.960 -0.000 0.000 0.262 232 G HA3 0.888 4.848 3.960 -0.000 0.000 0.262 232 G C -1.712 173.244 174.900 0.093 0.000 1.352 232 G CA -0.635 44.381 45.100 -0.140 0.000 1.004 232 G HN 1.000 nan 8.290 nan 0.000 0.559 233 W N -1.502 119.813 121.300 0.026 0.000 3.298 233 W HA 0.702 5.362 4.660 -0.000 0.000 0.302 233 W C -1.913 174.595 176.519 -0.018 0.000 1.255 233 W CA -1.456 55.892 57.345 0.005 0.000 1.196 233 W CB 0.430 29.894 29.460 0.008 0.000 1.364 233 W HN 0.482 nan 8.180 nan 0.000 0.566 234 I N 2.680 123.415 120.570 0.275 0.000 2.433 234 I HA 0.623 4.793 4.170 -0.000 0.000 0.292 234 I C -0.761 175.441 176.117 0.141 0.000 1.001 234 I CA -1.497 59.918 61.300 0.192 0.000 1.119 234 I CB 1.830 39.921 38.000 0.151 0.000 1.289 234 I HN 0.296 nan 8.210 nan 0.000 0.438 235 V N 4.810 124.758 119.914 0.056 0.000 2.443 235 V HA 0.881 5.001 4.120 -0.000 0.000 0.293 235 V C 0.203 176.261 176.094 -0.061 0.000 1.021 235 V CA -0.256 61.974 62.300 -0.117 0.000 0.848 235 V CB 1.303 32.806 31.823 -0.533 0.000 0.998 235 V HN 1.016 nan 8.190 nan 0.000 0.424 236 G N 4.691 113.456 108.800 -0.057 0.000 2.600 236 G HA2 0.663 4.623 3.960 -0.000 0.000 0.293 236 G HA3 0.663 4.623 3.960 -0.000 0.000 0.293 236 G C -3.316 171.485 174.900 -0.165 0.000 1.408 236 G CA -1.213 43.748 45.100 -0.232 0.000 0.782 236 G HN 0.410 nan 8.290 nan 0.000 0.482 237 P HA -0.061 nan 4.420 nan 0.000 0.257 237 P C 0.761 178.016 177.300 -0.075 0.000 1.153 237 P CA 0.424 63.454 63.100 -0.117 0.000 0.762 237 P CB 0.600 32.246 31.700 -0.089 0.000 0.743 238 K N 3.958 124.310 120.400 -0.080 0.000 2.360 238 K HA -0.186 4.134 4.320 -0.000 0.000 0.201 238 K C 1.420 177.975 176.600 -0.075 0.000 1.046 238 K CA 1.471 57.727 56.287 -0.051 0.000 0.940 238 K CB -0.235 32.235 32.500 -0.050 0.000 0.748 238 K HN 0.490 nan 8.250 nan 0.000 0.465 239 E N 0.644 120.724 120.200 -0.200 0.000 2.072 239 E HA -0.158 4.192 4.350 -0.000 0.000 0.190 239 E C 1.423 177.917 176.600 -0.175 0.000 0.982 239 E CA 0.816 57.053 56.400 -0.271 0.000 0.803 239 E CB -0.398 29.007 29.700 -0.492 0.000 0.755 239 E HN 0.338 nan 8.360 nan 0.000 0.453 240 F N 1.091 121.109 119.950 0.113 0.000 2.293 240 F HA 0.055 4.582 4.527 -0.000 0.000 0.297 240 F C 2.300 178.178 175.800 0.131 0.000 1.089 240 F CA 0.481 58.579 58.000 0.164 0.000 1.377 240 F CB -0.439 38.761 39.000 0.332 0.000 1.051 240 F HN -0.079 nan 8.300 nan 0.000 0.511 241 M N 0.269 120.039 119.600 0.283 0.000 2.116 241 M HA -0.192 4.288 4.480 -0.000 0.000 0.255 241 M C -0.463 175.895 176.300 0.097 0.000 1.075 241 M CA 1.881 57.289 55.300 0.180 0.000 1.087 241 M CB -2.802 29.863 32.600 0.109 0.000 1.340 241 M HN 0.004 nan 8.290 nan 0.000 0.402 242 P HA -0.123 nan 4.420 nan 0.000 0.218 242 P C 1.633 178.948 177.300 0.026 0.000 1.148 242 P CA 1.146 64.264 63.100 0.030 0.000 0.822 242 P CB -0.111 31.604 31.700 0.024 0.000 0.784 243 R N -0.582 119.959 120.500 0.068 0.000 2.062 243 R HA 0.047 4.387 4.340 -0.000 0.000 0.229 243 R C 2.356 178.661 176.300 0.008 0.000 1.128 243 R CA 1.021 57.153 56.100 0.053 0.000 0.960 243 R CB -1.543 28.813 30.300 0.094 0.000 0.855 243 R HN 0.295 nan 8.270 nan 0.000 0.432 244 L N 0.499 121.731 121.223 0.015 0.000 2.043 244 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 244 L C 2.573 179.412 176.870 -0.051 0.000 1.075 244 L CA 1.549 56.372 54.840 -0.028 0.000 0.752 244 L CB -0.742 41.310 42.059 -0.012 0.000 0.891 244 L HN 0.169 nan 8.230 nan 0.000 0.432 245 A N 0.149 122.938 122.820 -0.052 0.000 2.019 245 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 245 A C 2.358 179.826 177.584 -0.194 0.000 1.164 245 A CA 1.611 53.584 52.037 -0.108 0.000 0.644 245 A CB -0.946 17.996 19.000 -0.097 0.000 0.805 245 A HN 0.474 nan 8.150 nan 0.000 0.449 246 G N -0.993 107.707 108.800 -0.167 0.000 2.394 246 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.214 246 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.214 246 G C 1.526 176.217 174.900 -0.349 0.000 1.176 246 G CA 1.009 45.950 45.100 -0.264 0.000 0.786 246 G HN 0.297 nan 8.290 nan 0.000 0.533 247 M N 1.458 120.985 119.600 -0.121 0.000 2.126 247 M HA -0.071 4.409 4.480 -0.000 0.000 0.259 247 M C 2.662 178.947 176.300 -0.025 0.000 1.073 247 M CA 1.830 57.129 55.300 -0.002 0.000 1.103 247 M CB -1.179 31.433 32.600 0.020 0.000 1.284 247 M HN 0.372 nan 8.290 nan 0.000 0.420 248 R N 1.482 121.959 120.500 -0.038 0.000 2.211 248 R HA -0.194 4.146 4.340 -0.000 0.000 0.240 248 R C 1.775 178.043 176.300 -0.053 0.000 1.144 248 R CA 1.906 58.004 56.100 -0.003 0.000 0.992 248 R CB -1.528 28.764 30.300 -0.013 0.000 0.869 248 R HN 0.696 nan 8.270 nan 0.000 0.462 249 Q N -0.180 119.478 119.800 -0.237 0.000 2.369 249 Q HA -0.124 4.216 4.340 -0.000 0.000 0.206 249 Q C 0.974 176.906 176.000 -0.114 0.000 0.963 249 Q CA 1.170 56.782 55.803 -0.318 0.000 0.894 249 Q CB -0.185 28.169 28.738 -0.639 0.000 0.965 249 Q HN 0.715 nan 8.270 nan 0.000 0.475 250 W N 0.642 122.016 121.300 0.125 0.000 2.762 250 W HA 0.020 4.680 4.660 -0.000 0.000 0.265 250 W C 2.429 179.010 176.519 0.104 0.000 1.263 250 W CA 0.619 58.032 57.345 0.114 0.000 1.411 250 W CB 0.292 29.800 29.460 0.081 0.000 1.065 250 W HN 0.227 nan 8.180 nan 0.000 0.609 251 T N -2.010 112.724 114.554 0.301 0.000 2.732 251 T HA -0.139 4.211 4.350 -0.000 0.000 0.261 251 T C 1.574 176.367 174.700 0.155 0.000 1.040 251 T CA 1.715 63.933 62.100 0.196 0.000 1.145 251 T CB -0.645 68.321 68.868 0.163 0.000 0.866 251 T HN 0.067 nan 8.240 nan 0.000 0.427 252 S N -1.595 114.203 115.700 0.164 0.000 2.800 252 S HA 0.398 4.868 4.470 -0.000 0.000 0.266 252 S C 0.674 175.445 174.600 0.284 0.000 1.029 252 S CA 0.143 58.447 58.200 0.174 0.000 1.302 252 S CB -0.047 63.223 63.200 0.117 0.000 1.212 252 S HN 0.381 nan 8.310 nan 0.000 0.683 253 F N 2.178 122.144 119.950 0.027 0.000 2.523 253 F HA -0.240 4.287 4.527 -0.000 0.000 0.749 253 F C 0.068 175.861 175.800 -0.012 0.000 0.485 253 F CA 1.691 59.681 58.000 -0.017 0.000 0.779 253 F CB -1.506 37.507 39.000 0.021 0.000 1.624 253 F HN 0.937 nan 8.300 nan 0.000 0.277 254 S N 0.683 116.442 115.700 0.098 0.000 2.596 254 S HA 0.881 5.351 4.470 -0.000 0.000 0.270 254 S C -0.538 174.123 174.600 0.101 0.000 1.155 254 S CA -0.555 57.645 58.200 -0.001 0.000 0.827 254 S CB 1.454 64.599 63.200 -0.092 0.000 1.130 254 S HN 1.517 nan 8.310 nan 0.000 0.467 255 A N 1.144 124.006 122.820 0.069 0.000 2.346 255 A HA 0.690 5.010 4.320 -0.000 0.000 0.252 255 A C -2.631 175.000 177.584 0.077 0.000 1.089 255 A CA -1.438 50.646 52.037 0.079 0.000 0.797 255 A CB -1.183 17.865 19.000 0.080 0.000 1.047 255 A HN 0.659 nan 8.150 nan 0.000 0.494 256 P HA 0.077 nan 4.420 nan 0.000 0.261 256 P C 0.643 177.956 177.300 0.022 0.000 1.183 256 P CA 0.424 63.538 63.100 0.024 0.000 0.761 256 P CB 0.484 32.177 31.700 -0.012 0.000 0.785 257 T N 5.788 120.352 114.554 0.016 0.000 2.701 257 T HA -0.072 4.278 4.350 -0.000 0.000 0.263 257 T C -0.689 174.013 174.700 0.002 0.000 1.040 257 T CA 1.808 63.920 62.100 0.019 0.000 1.147 257 T CB -1.705 67.174 68.868 0.018 0.000 0.865 257 T HN 0.512 nan 8.240 nan 0.000 0.426 258 P HA -0.015 nan 4.420 nan 0.000 0.218 258 P C 1.281 178.557 177.300 -0.039 0.000 1.148 258 P CA 0.925 64.004 63.100 -0.035 0.000 0.822 258 P CB -0.111 31.554 31.700 -0.059 0.000 0.784 259 L N -0.276 120.912 121.223 -0.059 0.000 2.179 259 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 259 L C 2.905 179.813 176.870 0.063 0.000 1.096 259 L CA 1.609 56.420 54.840 -0.048 0.000 0.779 259 L CB -1.581 40.411 42.059 -0.112 0.000 0.922 259 L HN -0.056 nan 8.230 nan 0.000 0.443 260 Q N -0.918 118.917 119.800 0.060 0.000 2.079 260 Q HA -0.158 4.181 4.340 -0.000 0.000 0.200 260 Q C 2.344 178.389 176.000 0.075 0.000 0.974 260 Q CA 1.501 57.356 55.803 0.086 0.000 0.840 260 Q CB -0.191 28.589 28.738 0.070 0.000 0.898 260 Q HN 0.555 nan 8.270 nan 0.000 0.430 261 A N 0.885 123.735 122.820 0.050 0.000 1.858 261 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 261 A C 2.283 179.902 177.584 0.057 0.000 1.190 261 A CA 1.780 53.843 52.037 0.043 0.000 0.617 261 A CB -1.267 17.748 19.000 0.025 0.000 0.827 261 A HN 0.487 nan 8.150 nan 0.000 0.443 262 G N -0.718 108.120 108.800 0.062 0.000 2.418 262 G HA2 -0.105 3.854 3.960 -0.000 0.000 0.217 262 G HA3 -0.105 3.854 3.960 -0.000 0.000 0.217 262 G C 1.494 176.468 174.900 0.123 0.000 1.158 262 G CA 1.241 46.393 45.100 0.086 0.000 0.771 262 G HN 0.332 nan 8.290 nan 0.000 0.545 263 V N 1.576 121.580 119.914 0.150 0.000 2.407 263 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 263 V C 3.308 179.485 176.094 0.139 0.000 1.055 263 V CA 1.828 64.234 62.300 0.177 0.000 1.049 263 V CB -0.829 31.128 31.823 0.223 0.000 0.662 263 V HN 0.490 nan 8.190 nan 0.000 0.455 264 A N 0.097 122.978 122.820 0.103 0.000 1.873 264 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 264 A C 2.187 179.804 177.584 0.056 0.000 1.193 264 A CA 2.241 54.318 52.037 0.066 0.000 0.629 264 A CB -0.532 18.497 19.000 0.048 0.000 0.826 264 A HN 0.641 nan 8.150 nan 0.000 0.447 265 E N -0.423 119.813 120.200 0.061 0.000 2.051 265 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 265 E C 2.351 178.986 176.600 0.059 0.000 0.991 265 E CA 0.904 57.332 56.400 0.046 0.000 0.799 265 E CB -0.346 29.385 29.700 0.052 0.000 0.748 265 E HN 0.611 nan 8.360 nan 0.000 0.449 266 A N 1.425 124.326 122.820 0.134 0.000 1.940 266 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 266 A C 2.218 179.893 177.584 0.152 0.000 1.176 266 A CA 1.134 53.313 52.037 0.238 0.000 0.631 266 A CB -0.655 18.513 19.000 0.281 0.000 0.814 266 A HN 0.131 nan 8.150 nan 0.000 0.446 267 L N -0.953 120.344 121.223 0.124 0.000 2.093 267 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 267 L C 2.563 179.453 176.870 0.034 0.000 1.085 267 L CA 1.243 56.154 54.840 0.119 0.000 0.755 267 L CB -0.387 41.732 42.059 0.100 0.000 0.904 267 L HN 0.249 nan 8.230 nan 0.000 0.435 268 K N -0.263 120.132 120.400 -0.009 0.000 2.031 268 K HA -0.076 4.244 4.320 -0.000 0.000 0.205 268 K C 2.099 178.628 176.600 -0.118 0.000 1.049 268 K CA 0.912 57.172 56.287 -0.046 0.000 0.939 268 K CB -0.407 32.070 32.500 -0.038 0.000 0.717 268 K HN 0.093 nan 8.250 nan 0.000 0.438 269 L N 1.400 122.510 121.223 -0.188 0.000 1.970 269 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 269 L C 2.509 179.098 176.870 -0.468 0.000 1.071 269 L CA 1.951 56.571 54.840 -0.367 0.000 0.751 269 L CB -1.556 40.168 42.059 -0.559 0.000 0.889 269 L HN 0.158 nan 8.230 nan 0.000 0.432 270 A N -0.900 121.614 122.820 -0.510 0.000 1.971 270 A HA -0.266 4.054 4.320 -0.000 0.000 0.222 270 A C 2.356 179.757 177.584 -0.305 0.000 1.182 270 A CA 1.775 53.555 52.037 -0.428 0.000 0.649 270 A CB -0.476 18.322 19.000 -0.335 0.000 0.818 270 A HN 0.354 nan 8.150 nan 0.000 0.458 271 R N -1.327 119.071 120.500 -0.169 0.000 2.193 271 R HA 0.034 4.374 4.340 -0.000 0.000 0.213 271 R C 1.854 178.118 176.300 -0.060 0.000 1.055 271 R CA 0.664 56.737 56.100 -0.046 0.000 0.995 271 R CB -0.271 30.038 30.300 0.016 0.000 0.893 271 R HN 0.408 nan 8.270 nan 0.000 0.459 272 R N 0.396 120.829 120.500 -0.113 0.000 2.156 272 R HA 0.068 4.408 4.340 -0.000 0.000 0.207 272 R C 1.351 177.593 176.300 -0.097 0.000 1.040 272 R CA 0.666 56.709 56.100 -0.095 0.000 1.013 272 R CB 0.080 30.316 30.300 -0.106 0.000 0.931 272 R HN 0.318 nan 8.270 nan 0.000 0.465 273 E N -0.205 119.908 120.200 -0.144 0.000 2.479 273 E HA 0.131 4.481 4.350 -0.000 0.000 0.193 273 E C 0.260 176.842 176.600 -0.029 0.000 1.049 273 E CA 0.292 56.630 56.400 -0.103 0.000 0.870 273 E CB 0.385 29.980 29.700 -0.175 0.000 0.944 273 E HN 0.403 nan 8.360 nan 0.000 0.492 274 G N 1.532 110.318 108.800 -0.022 0.000 2.221 274 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.265 274 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.265 274 G C 0.421 175.348 174.900 0.045 0.000 1.041 274 G CA 0.425 45.535 45.100 0.017 0.000 0.807 274 G HN 0.429 nan 8.290 nan 0.000 0.502 275 F N 0.187 120.063 119.950 -0.125 0.000 2.134 275 F HA -0.004 4.523 4.527 -0.000 0.000 0.299 275 F C 2.387 178.191 175.800 0.006 0.000 1.097 275 F CA 1.995 59.955 58.000 -0.067 0.000 1.264 275 F CB -0.273 38.684 39.000 -0.072 0.000 1.001 275 F HN 0.368 nan 8.300 nan 0.000 0.479 276 Y N 0.070 120.309 120.300 -0.102 0.000 2.293 276 Y HA -0.190 4.360 4.550 -0.000 0.000 0.291 276 Y C 2.640 178.411 175.900 -0.214 0.000 1.137 276 Y CA 1.056 59.025 58.100 -0.219 0.000 1.202 276 Y CB -0.441 37.992 38.460 -0.045 0.000 0.990 276 Y HN 0.201 nan 8.280 nan 0.000 0.537 277 E N 0.537 120.749 120.200 0.020 0.000 2.047 277 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 277 E C 2.371 178.945 176.600 -0.043 0.000 0.987 277 E CA 0.928 57.325 56.400 -0.005 0.000 0.799 277 E CB -0.129 29.585 29.700 0.024 0.000 0.752 277 E HN 0.413 nan 8.360 nan 0.000 0.449 278 A N 0.906 123.681 122.820 -0.074 0.000 1.902 278 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 278 A C 2.105 179.617 177.584 -0.120 0.000 1.181 278 A CA 1.004 52.996 52.037 -0.075 0.000 0.623 278 A CB -0.594 18.380 19.000 -0.044 0.000 0.818 278 A HN 0.334 nan 8.150 nan 0.000 0.443 279 L N -0.128 120.943 121.223 -0.253 0.000 2.012 279 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 279 L C 2.566 179.482 176.870 0.076 0.000 1.073 279 L CA 1.881 56.609 54.840 -0.187 0.000 0.748 279 L CB -0.471 41.371 42.059 -0.361 0.000 0.891 279 L HN 0.336 nan 8.230 nan 0.000 0.431 280 R N -0.830 119.692 120.500 0.037 0.000 2.091 280 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 280 R C 2.070 178.494 176.300 0.207 0.000 1.136 280 R CA 1.327 57.491 56.100 0.106 0.000 0.959 280 R CB -0.314 29.921 30.300 -0.108 0.000 0.856 280 R HN 0.381 nan 8.270 nan 0.000 0.437 281 E N -0.317 119.935 120.200 0.088 0.000 2.106 281 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 281 E C 2.028 178.650 176.600 0.038 0.000 0.984 281 E CA 1.263 57.703 56.400 0.067 0.000 0.806 281 E CB -0.360 29.353 29.700 0.022 0.000 0.750 281 E HN 0.473 nan 8.360 nan 0.000 0.458 282 G N -0.704 108.090 108.800 -0.011 0.000 2.443 282 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.219 282 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.219 282 G C 1.382 176.206 174.900 -0.127 0.000 1.131 282 G CA 0.332 45.366 45.100 -0.111 0.000 0.775 282 G HN 0.267 nan 8.290 nan 0.000 0.547 283 Y N -0.259 120.115 120.300 0.124 0.000 2.314 283 Y HA 0.119 4.669 4.550 -0.000 0.000 0.294 283 Y C 2.953 178.890 175.900 0.061 0.000 1.119 283 Y CA 0.959 59.204 58.100 0.242 0.000 1.179 283 Y CB 0.050 38.787 38.460 0.462 0.000 1.025 283 Y HN 0.047 nan 8.280 nan 0.000 0.541 284 R N 0.839 121.428 120.500 0.149 0.000 2.105 284 R HA -0.212 4.128 4.340 -0.000 0.000 0.239 284 R C 2.417 178.595 176.300 -0.203 0.000 1.135 284 R CA 1.554 57.529 56.100 -0.210 0.000 0.967 284 R CB -0.215 30.060 30.300 -0.042 0.000 0.861 284 R HN 0.237 nan 8.270 nan 0.000 0.442 285 R N 0.383 120.820 120.500 -0.105 0.000 2.083 285 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 285 R C 2.141 178.339 176.300 -0.170 0.000 1.137 285 R CA 1.784 57.812 56.100 -0.121 0.000 0.951 285 R CB -0.088 30.161 30.300 -0.086 0.000 0.851 285 R HN 0.221 nan 8.270 nan 0.000 0.434 286 R N -0.360 120.046 120.500 -0.157 0.000 2.148 286 R HA -0.037 4.303 4.340 -0.000 0.000 0.223 286 R C 2.465 178.511 176.300 -0.423 0.000 1.088 286 R CA 0.904 56.895 56.100 -0.183 0.000 0.985 286 R CB -0.192 30.095 30.300 -0.022 0.000 0.880 286 R HN 0.224 nan 8.270 nan 0.000 0.451 287 R N 1.055 121.169 120.500 -0.644 0.000 2.070 287 R HA -0.143 4.197 4.340 -0.000 0.000 0.233 287 R C 1.048 176.977 176.300 -0.619 0.000 1.137 287 R CA 1.973 57.415 56.100 -1.097 0.000 0.945 287 R CB -0.080 29.600 30.300 -1.034 0.000 0.845 287 R HN 0.114 nan 8.270 nan 0.000 0.430 288 D N 0.984 121.134 120.400 -0.417 0.000 2.144 288 D HA -0.189 4.451 4.640 -0.000 0.000 0.199 288 D C 1.909 178.069 176.300 -0.232 0.000 0.984 288 D CA 0.828 54.661 54.000 -0.280 0.000 0.834 288 D CB -0.240 40.439 40.800 -0.203 0.000 0.955 288 D HN 0.284 nan 8.370 nan 0.000 0.465 289 L N 0.310 121.394 121.223 -0.232 0.000 1.994 289 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 289 L C 2.323 179.082 176.870 -0.185 0.000 1.071 289 L CA 1.077 55.808 54.840 -0.180 0.000 0.745 289 L CB -0.195 41.742 42.059 -0.202 0.000 0.892 289 L HN 0.046 nan 8.230 nan 0.000 0.431 290 L N -0.289 120.789 121.223 -0.240 0.000 1.961 290 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 290 L C 2.750 179.475 176.870 -0.241 0.000 1.072 290 L CA 1.779 56.490 54.840 -0.214 0.000 0.749 290 L CB -0.594 41.336 42.059 -0.216 0.000 0.889 290 L HN 0.424 nan 8.230 nan 0.000 0.432 291 A N -0.216 122.431 122.820 -0.287 0.000 1.948 291 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 291 A C 2.235 179.702 177.584 -0.194 0.000 1.177 291 A CA 1.873 53.758 52.037 -0.254 0.000 0.636 291 A CB -1.352 17.498 19.000 -0.251 0.000 0.815 291 A HN 0.606 nan 8.150 nan 0.000 0.449 292 G N -0.888 107.810 108.800 -0.171 0.000 2.402 292 G HA2 0.080 4.040 3.960 -0.000 0.000 0.216 292 G HA3 0.080 4.040 3.960 -0.000 0.000 0.216 292 G C 1.493 176.333 174.900 -0.100 0.000 1.162 292 G CA 1.142 46.168 45.100 -0.123 0.000 0.777 292 G HN 0.723 nan 8.290 nan 0.000 0.539 293 G N 0.519 109.263 108.800 -0.094 0.000 2.443 293 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.219 293 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.219 293 G C 1.749 176.602 174.900 -0.078 0.000 1.131 293 G CA 0.448 45.512 45.100 -0.060 0.000 0.775 293 G HN 0.417 nan 8.290 nan 0.000 0.547 294 L N -0.765 120.382 121.223 -0.127 0.000 2.095 294 L HA 0.097 4.437 4.340 -0.000 0.000 0.204 294 L C 2.984 179.788 176.870 -0.109 0.000 1.080 294 L CA 0.519 55.275 54.840 -0.140 0.000 0.759 294 L CB -0.285 41.625 42.059 -0.248 0.000 0.914 294 L HN 0.081 nan 8.230 nan 0.000 0.439 295 R N 0.560 120.989 120.500 -0.118 0.000 2.112 295 R HA -0.200 4.140 4.340 -0.000 0.000 0.242 295 R C 2.292 178.550 176.300 -0.069 0.000 1.137 295 R CA 1.808 57.848 56.100 -0.099 0.000 0.944 295 R CB -0.706 29.534 30.300 -0.100 0.000 0.857 295 R HN 0.367 nan 8.270 nan 0.000 0.435 296 A N -0.461 122.323 122.820 -0.060 0.000 2.131 296 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 296 A C 1.599 179.164 177.584 -0.031 0.000 1.158 296 A CA 1.366 53.378 52.037 -0.042 0.000 0.665 296 A CB -0.395 18.583 19.000 -0.037 0.000 0.795 296 A HN 0.323 nan 8.150 nan 0.000 0.460 297 M N -0.491 119.088 119.600 -0.035 0.000 2.723 297 M HA 0.206 4.686 4.480 -0.000 0.000 0.270 297 M C 1.122 177.415 176.300 -0.012 0.000 1.282 297 M CA 0.378 55.667 55.300 -0.019 0.000 0.995 297 M CB 0.033 32.621 32.600 -0.020 0.000 1.430 297 M HN 0.503 nan 8.290 nan 0.000 0.477 298 G N 1.540 110.328 108.800 -0.020 0.000 2.402 298 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.300 298 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.300 298 G C -0.060 174.832 174.900 -0.012 0.000 0.987 298 G CA 0.444 45.535 45.100 -0.016 0.000 0.881 298 G HN 0.485 nan 8.290 nan 0.000 0.512 299 L N -1.549 119.657 121.223 -0.028 0.000 2.375 299 L HA 0.661 5.001 4.340 -0.000 0.000 0.268 299 L C 0.872 177.700 176.870 -0.070 0.000 1.058 299 L CA -1.460 53.369 54.840 -0.018 0.000 0.803 299 L CB 1.135 43.188 42.059 -0.010 0.000 1.212 299 L HN 0.087 nan 8.230 nan 0.000 0.451 300 R N 1.039 121.498 120.500 -0.068 0.000 2.234 300 R HA 0.499 4.839 4.340 -0.000 0.000 0.324 300 R C -1.480 174.637 176.300 -0.305 0.000 1.054 300 R CA -0.231 55.748 56.100 -0.202 0.000 0.912 300 R CB 0.672 30.880 30.300 -0.154 0.000 1.030 300 R HN 0.346 nan 8.270 nan 0.000 0.455 301 V N 6.232 125.887 119.914 -0.432 0.000 2.588 301 V HA 0.357 4.477 4.120 -0.000 0.000 0.304 301 V C -1.085 174.707 176.094 -0.502 0.000 1.042 301 V CA -0.786 61.297 62.300 -0.361 0.000 0.877 301 V CB 1.681 33.363 31.823 -0.235 0.000 0.996 301 V HN 0.651 nan 8.190 nan 0.000 0.425 302 Y N 2.932 123.221 120.300 -0.018 0.000 2.841 302 Y HA 0.424 4.974 4.550 -0.000 0.000 0.329 302 Y C 0.413 176.328 175.900 0.026 0.000 1.062 302 Y CA -0.863 57.228 58.100 -0.015 0.000 1.281 302 Y CB 0.954 39.390 38.460 -0.040 0.000 1.147 302 Y HN 0.409 nan 8.280 nan 0.000 0.521 303 V N 6.241 126.191 119.914 0.059 0.000 2.584 303 V HA -0.048 4.072 4.120 -0.000 0.000 0.303 303 V C -1.441 174.724 176.094 0.119 0.000 1.035 303 V CA -1.003 61.320 62.300 0.039 0.000 1.172 303 V CB -0.077 31.733 31.823 -0.023 0.000 0.896 303 V HN 0.536 nan 8.190 nan 0.000 0.486 304 P HA 0.347 nan 4.420 nan 0.000 0.278 304 P C -0.072 177.387 177.300 0.266 0.000 1.258 304 P CA -0.570 62.660 63.100 0.218 0.000 0.811 304 P CB 1.528 33.397 31.700 0.281 0.000 1.063 305 E N -0.223 120.129 120.200 0.253 0.000 2.473 305 E HA 0.293 4.643 4.350 -0.000 0.000 0.204 305 E C 0.916 177.650 176.600 0.224 0.000 0.994 305 E CA -0.128 56.440 56.400 0.280 0.000 0.945 305 E CB 0.559 30.351 29.700 0.153 0.000 0.990 305 E HN 0.635 nan 8.360 nan 0.000 0.493 306 G N 0.924 109.797 108.800 0.122 0.000 2.682 306 G HA2 0.463 4.423 3.960 -0.000 0.000 0.290 306 G HA3 0.463 4.423 3.960 -0.000 0.000 0.290 306 G C -0.459 174.336 174.900 -0.174 0.000 1.425 306 G CA -0.065 44.943 45.100 -0.153 0.000 0.807 306 G HN 0.110 nan 8.290 nan 0.000 0.482 307 T N -3.268 111.006 114.554 -0.467 0.000 0.541 307 T HA -0.229 4.121 4.350 -0.000 0.000 0.774 307 T C 0.156 174.465 174.700 -0.651 0.000 0.992 307 T CA 1.299 62.819 62.100 -0.967 0.000 4.077 307 T CB -1.108 67.013 68.868 -1.246 0.000 2.303 307 T HN 2.195 nan 8.240 nan 0.000 0.398 308 Y N 0.227 119.906 120.300 -1.034 0.000 2.801 308 Y HA 0.773 5.322 4.550 -0.000 0.000 0.318 308 Y C -0.246 174.569 175.900 -1.809 0.000 1.073 308 Y CA -2.433 54.790 58.100 -1.462 0.000 1.360 308 Y CB -0.549 37.093 38.460 -1.364 0.000 1.220 308 Y HN 0.579 nan 8.280 nan 0.000 0.536 309 F N 1.819 121.456 119.950 -0.521 0.000 2.561 309 F HA 0.740 5.267 4.527 -0.000 0.000 0.321 309 F C -0.435 175.491 175.800 0.210 0.000 1.065 309 F CA -1.828 56.076 58.000 -0.160 0.000 0.934 309 F CB 2.294 41.177 39.000 -0.195 0.000 1.215 309 F HN 0.051 nan 8.300 nan 0.000 0.471 310 L N 2.439 123.993 121.223 0.551 0.000 2.465 310 L HA 0.713 5.053 4.340 -0.000 0.000 0.257 310 L C -1.927 175.198 176.870 0.424 0.000 0.988 310 L CA -0.688 54.424 54.840 0.454 0.000 0.827 310 L CB 2.429 44.739 42.059 0.420 0.000 1.397 310 L HN 0.643 nan 8.230 nan 0.000 0.410 311 M N 3.718 123.551 119.600 0.389 0.000 2.311 311 M HA 0.773 5.253 4.480 -0.000 0.000 0.325 311 M C -0.545 176.043 176.300 0.479 0.000 1.061 311 M CA -0.469 55.110 55.300 0.464 0.000 0.957 311 M CB 1.929 34.802 32.600 0.456 0.000 1.646 311 M HN 0.794 nan 8.290 nan 0.000 0.434 312 A N 2.650 125.764 122.820 0.490 0.000 2.479 312 A HA 0.789 5.109 4.320 -0.000 0.000 0.296 312 A C -1.304 176.575 177.584 0.492 0.000 1.121 312 A CA -0.754 51.498 52.037 0.358 0.000 0.743 312 A CB 1.687 20.712 19.000 0.042 0.000 1.323 312 A HN 0.802 nan 8.150 nan 0.000 0.415 313 E N 0.386 120.812 120.200 0.376 0.000 2.155 313 E HA 0.476 4.826 4.350 -0.000 0.000 0.264 313 E C -1.744 175.070 176.600 0.358 0.000 0.886 313 E CA -0.565 56.072 56.400 0.395 0.000 0.752 313 E CB 1.745 31.634 29.700 0.316 0.000 1.133 313 E HN 0.330 nan 8.360 nan 0.000 0.414 314 L N 5.307 126.824 121.223 0.490 0.000 2.277 314 L HA 0.325 4.665 4.340 -0.000 0.000 0.284 314 L C -2.411 174.750 176.870 0.484 0.000 1.028 314 L CA -2.052 53.014 54.840 0.376 0.000 0.835 314 L CB 0.877 43.023 42.059 0.145 0.000 1.215 314 L HN 0.283 nan 8.230 nan 0.000 0.425 315 P HA 0.163 nan 4.420 nan 0.000 0.261 315 P C 0.671 178.171 177.300 0.332 0.000 1.203 315 P CA 0.375 63.662 63.100 0.312 0.000 0.767 315 P CB 0.552 32.378 31.700 0.210 0.000 0.785 316 G N 1.441 110.382 108.800 0.235 0.000 2.289 316 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.280 316 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.280 316 G C -0.837 174.009 174.900 -0.090 0.000 1.089 316 G CA -0.662 44.464 45.100 0.044 0.000 0.939 316 G HN 0.391 nan 8.290 nan 0.000 0.499 317 W N -0.483 120.940 121.300 0.205 0.000 3.042 317 W HA 0.645 5.305 4.660 -0.000 0.000 0.342 317 W C -0.574 176.184 176.519 0.400 0.000 1.240 317 W CA -0.257 57.211 57.345 0.204 0.000 1.166 317 W CB 1.368 30.869 29.460 0.069 0.000 1.469 317 W HN 0.308 nan 8.180 nan 0.000 0.579 318 D N -0.078 120.695 120.400 0.623 0.000 2.859 318 D HA 0.425 5.065 4.640 -0.000 0.000 0.223 318 D C 0.579 177.137 176.300 0.430 0.000 1.218 318 D CA -0.269 54.073 54.000 0.569 0.000 0.850 318 D CB 1.622 42.637 40.800 0.358 0.000 1.656 318 D HN 0.504 nan 8.370 nan 0.000 0.484 319 A N 2.163 125.243 122.820 0.433 0.000 1.900 319 A HA -0.313 4.007 4.320 -0.000 0.000 0.225 319 A C 1.698 179.184 177.584 -0.164 0.000 1.414 319 A CA 2.119 54.159 52.037 0.005 0.000 0.702 319 A CB -1.373 17.454 19.000 -0.287 0.000 0.845 319 A HN 0.605 nan 8.150 nan 0.000 0.478 320 F N -0.870 119.152 119.950 0.119 0.000 2.250 320 F HA -0.103 4.424 4.527 -0.000 0.000 0.301 320 F C 2.482 178.339 175.800 0.095 0.000 1.077 320 F CA 1.626 59.675 58.000 0.082 0.000 1.348 320 F CB -0.266 38.770 39.000 0.062 0.000 1.040 320 F HN 0.239 nan 8.300 nan 0.000 0.509 321 R N 0.446 121.113 120.500 0.278 0.000 2.127 321 R HA 0.001 4.341 4.340 -0.000 0.000 0.217 321 R C 2.170 178.616 176.300 0.243 0.000 1.074 321 R CA 0.514 56.771 56.100 0.261 0.000 0.991 321 R CB -0.259 30.215 30.300 0.290 0.000 0.895 321 R HN 0.337 nan 8.270 nan 0.000 0.450 322 L N 0.371 121.693 121.223 0.166 0.000 2.046 322 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 322 L C 2.415 179.230 176.870 -0.090 0.000 1.077 322 L CA 1.059 55.862 54.840 -0.062 0.000 0.747 322 L CB -0.273 41.609 42.059 -0.294 0.000 0.896 322 L HN 0.134 nan 8.230 nan 0.000 0.432 323 V N -0.196 119.679 119.914 -0.065 0.000 2.407 323 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 323 V C 2.198 178.292 176.094 -0.000 0.000 1.055 323 V CA 2.025 64.291 62.300 -0.057 0.000 1.049 323 V CB -0.118 31.668 31.823 -0.062 0.000 0.662 323 V HN 0.522 nan 8.190 nan 0.000 0.455 324 E N -0.585 119.646 120.200 0.051 0.000 2.051 324 E HA -0.191 4.159 4.350 -0.000 0.000 0.189 324 E C 2.152 178.789 176.600 0.063 0.000 0.979 324 E CA 1.322 57.761 56.400 0.066 0.000 0.803 324 E CB -0.039 29.718 29.700 0.094 0.000 0.761 324 E HN 0.690 nan 8.360 nan 0.000 0.451 325 E N 0.006 120.260 120.200 0.091 0.000 2.190 325 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 325 E C 1.527 178.158 176.600 0.053 0.000 0.978 325 E CA 0.622 57.086 56.400 0.107 0.000 0.839 325 E CB 0.224 30.053 29.700 0.216 0.000 0.787 325 E HN 0.168 nan 8.360 nan 0.000 0.473 326 A N 0.047 122.854 122.820 -0.022 0.000 2.303 326 A HA 0.177 4.497 4.320 -0.000 0.000 0.217 326 A C 0.489 178.028 177.584 -0.075 0.000 1.205 326 A CA -0.193 51.788 52.037 -0.094 0.000 0.875 326 A CB 0.328 19.175 19.000 -0.254 0.000 0.910 326 A HN 0.091 nan 8.150 nan 0.000 0.501 327 R N -1.407 119.063 120.500 -0.050 0.000 3.651 327 R HA -0.135 4.204 4.340 -0.000 0.000 0.292 327 R C -0.852 175.411 176.300 -0.062 0.000 1.161 327 R CA 0.914 56.991 56.100 -0.039 0.000 0.787 327 R CB -2.951 27.337 30.300 -0.020 0.000 1.249 327 R HN 0.351 nan 8.270 nan 0.000 0.476 328 V N -0.115 119.736 119.914 -0.105 0.000 2.577 328 V HA 0.756 4.876 4.120 -0.000 0.000 0.303 328 V C 0.305 176.300 176.094 -0.166 0.000 1.042 328 V CA -0.608 61.614 62.300 -0.131 0.000 0.872 328 V CB 2.144 33.867 31.823 -0.168 0.000 0.998 328 V HN 0.340 nan 8.190 nan 0.000 0.423 329 A N 5.986 128.721 122.820 -0.141 0.000 2.312 329 A HA 0.981 5.301 4.320 -0.000 0.000 0.326 329 A C -0.857 176.612 177.584 -0.191 0.000 1.172 329 A CA -0.382 51.566 52.037 -0.148 0.000 0.821 329 A CB 0.787 19.738 19.000 -0.081 0.000 1.166 329 A HN 0.797 nan 8.150 nan 0.000 0.493 330 L N 1.636 122.740 121.223 -0.198 0.000 2.479 330 L HA 0.491 4.831 4.340 -0.000 0.000 0.255 330 L C -1.148 175.701 176.870 -0.035 0.000 1.026 330 L CA -0.916 53.816 54.840 -0.180 0.000 0.842 330 L CB 1.877 43.718 42.059 -0.363 0.000 1.444 330 L HN 0.442 nan 8.230 nan 0.000 0.409 331 I N 3.178 123.794 120.570 0.075 0.000 2.321 331 I HA 0.305 4.475 4.170 -0.000 0.000 0.291 331 I C -2.168 174.013 176.117 0.106 0.000 0.998 331 I CA -2.315 59.031 61.300 0.076 0.000 1.227 331 I CB 1.168 39.296 38.000 0.214 0.000 1.368 331 I HN 0.225 nan 8.210 nan 0.000 0.466 332 P HA 0.104 nan 4.420 nan 0.000 0.276 332 P C 0.578 177.771 177.300 -0.178 0.000 1.230 332 P CA -0.169 62.845 63.100 -0.143 0.000 0.776 332 P CB 1.325 32.950 31.700 -0.125 0.000 0.888 333 A N 4.216 126.969 122.820 -0.112 0.000 1.958 333 A HA -0.239 4.081 4.320 -0.000 0.000 0.221 333 A C 2.115 179.729 177.584 0.050 0.000 1.178 333 A CA 2.529 54.644 52.037 0.130 0.000 0.642 333 A CB -1.843 17.289 19.000 0.221 0.000 0.816 333 A HN 0.683 nan 8.150 nan 0.000 0.453 334 S N -0.508 115.164 115.700 -0.047 0.000 2.571 334 S HA 0.151 4.621 4.470 -0.000 0.000 0.245 334 S C 1.497 175.965 174.600 -0.220 0.000 0.976 334 S CA 1.049 59.217 58.200 -0.054 0.000 0.954 334 S CB -0.481 62.688 63.200 -0.051 0.000 0.756 334 S HN 0.953 nan 8.310 nan 0.000 0.535 335 A N -0.020 122.500 122.820 -0.500 0.000 2.147 335 A HA 0.490 4.810 4.320 -0.000 0.000 0.211 335 A C 1.334 178.295 177.584 -1.037 0.000 1.160 335 A CA 0.121 51.671 52.037 -0.812 0.000 0.781 335 A CB -0.323 17.996 19.000 -1.135 0.000 0.842 335 A HN 0.551 nan 8.150 nan 0.000 0.475 336 F N -2.493 117.131 119.950 -0.544 0.000 2.653 336 F HA 0.319 4.846 4.527 -0.000 0.000 0.288 336 F C -0.011 175.039 175.800 -1.250 0.000 1.121 336 F CA -0.636 56.762 58.000 -1.003 0.000 1.384 336 F CB -0.130 38.349 39.000 -0.868 0.000 1.115 336 F HN 0.055 nan 8.300 nan 0.000 0.599 337 Y N 0.676 120.779 120.300 -0.328 0.000 2.320 337 Y HA 0.332 4.882 4.550 -0.000 0.000 0.334 337 Y C 0.992 176.898 175.900 0.009 0.000 1.055 337 Y CA -0.997 57.030 58.100 -0.123 0.000 1.143 337 Y CB 1.204 39.638 38.460 -0.042 0.000 1.193 337 Y HN -0.138 nan 8.280 nan 0.000 0.477 338 L N 1.610 123.066 121.223 0.387 0.000 2.313 338 L HA 0.147 4.487 4.340 -0.000 0.000 0.214 338 L C -0.116 176.857 176.870 0.172 0.000 1.119 338 L CA 1.420 56.444 54.840 0.307 0.000 0.809 338 L CB -0.186 42.063 42.059 0.317 0.000 0.933 338 L HN 0.670 nan 8.230 nan 0.000 0.449 339 E N -0.828 119.469 120.200 0.161 0.000 2.363 339 E HA 0.196 4.546 4.350 -0.000 0.000 0.281 339 E C -1.208 175.411 176.600 0.032 0.000 0.953 339 E CA -0.570 55.879 56.400 0.081 0.000 0.778 339 E CB 1.275 31.016 29.700 0.069 0.000 1.220 339 E HN 0.022 nan 8.360 nan 0.000 0.431 340 D N 2.043 122.439 120.400 -0.007 0.000 3.038 340 D HA -0.133 4.507 4.640 -0.000 0.000 0.229 340 D C -2.426 173.771 176.300 -0.172 0.000 1.182 340 D CA 0.454 54.416 54.000 -0.063 0.000 0.852 340 D CB -0.510 40.257 40.800 -0.056 0.000 0.932 340 D HN 0.112 nan 8.370 nan 0.000 0.406 341 P HA 0.243 nan 4.420 nan 0.000 0.287 341 P C -2.481 174.651 177.300 -0.279 0.000 1.281 341 P CA -1.568 61.328 63.100 -0.340 0.000 0.781 341 P CB 0.845 32.552 31.700 0.012 0.000 0.903 342 P HA -0.094 nan 4.420 nan 0.000 0.238 342 P C 0.121 177.383 177.300 -0.063 0.000 1.090 342 P CA 0.749 63.753 63.100 -0.160 0.000 0.944 342 P CB -0.219 31.423 31.700 -0.097 0.000 0.881 343 K N 3.605 123.977 120.400 -0.047 0.000 2.543 343 K HA -0.125 4.195 4.320 -0.000 0.000 0.279 343 K C 0.431 177.044 176.600 0.021 0.000 1.001 343 K CA 0.717 56.994 56.287 -0.017 0.000 1.088 343 K CB -0.071 32.434 32.500 0.009 0.000 0.863 343 K HN 0.490 nan 8.250 nan 0.000 0.488 344 D N 0.359 120.751 120.400 -0.014 0.000 3.091 344 D HA -0.170 4.470 4.640 -0.000 0.000 0.216 344 D C -0.816 175.524 176.300 0.066 0.000 1.129 344 D CA 0.671 54.727 54.000 0.093 0.000 0.913 344 D CB -1.297 39.652 40.800 0.248 0.000 1.101 344 D HN 0.259 nan 8.370 nan 0.000 0.426 345 L N 0.672 121.814 121.223 -0.134 0.000 2.265 345 L HA 0.549 4.889 4.340 -0.000 0.000 0.289 345 L C -0.819 175.961 176.870 -0.149 0.000 1.033 345 L CA -0.287 54.584 54.840 0.052 0.000 0.814 345 L CB 0.353 42.511 42.059 0.165 0.000 1.203 345 L HN -0.101 nan 8.230 nan 0.000 0.423 346 F N 3.710 123.836 119.950 0.292 0.000 2.556 346 F HA 0.618 5.145 4.527 0.000 0.000 0.327 346 F C 0.262 176.258 175.800 0.327 0.000 1.059 346 F CA -0.732 57.406 58.000 0.230 0.000 0.953 346 F CB 1.425 40.479 39.000 0.089 0.000 1.227 346 F HN 0.314 nan 8.300 nan 0.000 0.478 347 R N 1.702 122.463 120.500 0.436 0.000 2.338 347 R HA 0.549 4.889 4.340 -0.000 0.000 0.317 347 R C -1.842 174.663 176.300 0.341 0.000 0.968 347 R CA -0.486 55.865 56.100 0.418 0.000 0.849 347 R CB 0.718 31.210 30.300 0.321 0.000 1.128 347 R HN 0.493 nan 8.270 nan 0.000 0.448 348 F N 1.675 121.799 119.950 0.290 0.000 2.458 348 F HA 0.565 5.092 4.527 -0.000 0.000 0.330 348 F C 0.388 176.380 175.800 0.319 0.000 1.082 348 F CA -0.685 57.473 58.000 0.263 0.000 0.995 348 F CB 2.087 41.229 39.000 0.236 0.000 1.170 348 F HN 0.525 nan 8.300 nan 0.000 0.478 349 A N 2.645 125.689 122.820 0.374 0.000 2.318 349 A HA 0.650 4.970 4.320 -0.000 0.000 0.324 349 A C -0.756 176.884 177.584 0.094 0.000 1.170 349 A CA -0.492 51.637 52.037 0.154 0.000 0.810 349 A CB -0.033 19.016 19.000 0.081 0.000 1.198 349 A HN 0.735 nan 8.150 nan 0.000 0.484 350 F N 0.565 120.538 119.950 0.038 0.000 2.791 350 F HA 0.271 4.798 4.527 -0.000 0.000 0.308 350 F C 0.683 176.470 175.800 -0.023 0.000 1.138 350 F CA -1.092 56.915 58.000 0.011 0.000 1.294 350 F CB -0.718 38.304 39.000 0.038 0.000 0.975 350 F HN 0.395 nan 8.300 nan 0.000 0.512 351 C N -0.094 119.042 119.300 -0.273 0.000 2.293 351 C HA 0.507 4.967 4.460 -0.000 0.000 0.380 351 C C 0.445 175.289 174.990 -0.242 0.000 1.343 351 C CA -0.754 58.091 59.018 -0.288 0.000 1.754 351 C CB -1.835 25.288 27.740 -1.029 0.000 2.265 351 C HN 0.250 nan 8.230 nan 0.000 0.579 352 K N 0.884 121.207 120.400 -0.128 0.000 2.316 352 K HA 0.588 4.908 4.320 -0.000 0.000 0.234 352 K C 0.324 176.867 176.600 -0.095 0.000 1.054 352 K CA -0.066 56.148 56.287 -0.123 0.000 0.879 352 K CB 1.262 33.703 32.500 -0.097 0.000 1.252 352 K HN 0.449 nan 8.250 nan 0.000 0.471 353 T N -1.675 112.831 114.554 -0.081 0.000 2.868 353 T HA 0.148 4.498 4.350 -0.000 0.000 0.292 353 T C 1.154 175.804 174.700 -0.084 0.000 1.028 353 T CA -0.349 61.706 62.100 -0.075 0.000 1.059 353 T CB 0.671 69.510 68.868 -0.049 0.000 0.991 353 T HN 0.426 nan 8.240 nan 0.000 0.531 354 E N 1.097 121.237 120.200 -0.099 0.000 2.118 354 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 354 E C 2.091 178.608 176.600 -0.138 0.000 0.992 354 E CA 1.517 57.819 56.400 -0.164 0.000 0.804 354 E CB -0.024 29.597 29.700 -0.132 0.000 0.741 354 E HN 0.816 nan 8.360 nan 0.000 0.458 355 E N 1.256 121.443 120.200 -0.021 0.000 2.153 355 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 355 E C 1.666 178.284 176.600 0.029 0.000 0.988 355 E CA 0.906 57.335 56.400 0.049 0.000 0.811 355 E CB -0.281 29.443 29.700 0.041 0.000 0.746 355 E HN 0.428 nan 8.360 nan 0.000 0.466 356 E N 0.824 121.017 120.200 -0.013 0.000 2.107 356 E HA -0.009 4.341 4.350 -0.000 0.000 0.191 356 E C 2.341 178.936 176.600 -0.007 0.000 0.982 356 E CA 0.411 56.805 56.400 -0.010 0.000 0.809 356 E CB -0.018 29.665 29.700 -0.029 0.000 0.756 356 E HN 0.187 nan 8.360 nan 0.000 0.459 357 L N -0.063 121.131 121.223 -0.047 0.000 2.046 357 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 357 L C 2.251 179.107 176.870 -0.023 0.000 1.077 357 L CA 1.398 56.207 54.840 -0.052 0.000 0.747 357 L CB -0.505 41.475 42.059 -0.131 0.000 0.896 357 L HN 0.256 nan 8.230 nan 0.000 0.432 358 H N -0.776 118.289 119.070 -0.009 0.000 2.389 358 H HA -0.159 4.397 4.556 -0.000 0.000 0.299 358 H C 2.359 177.679 175.328 -0.013 0.000 1.081 358 H CA 0.864 56.903 56.048 -0.016 0.000 1.345 358 H CB 0.251 30.000 29.762 -0.021 0.000 1.393 358 H HN 0.197 nan 8.280 nan 0.000 0.520 359 L N 0.351 121.645 121.223 0.117 0.000 2.017 359 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 359 L C 2.546 179.437 176.870 0.035 0.000 1.073 359 L CA 1.325 56.198 54.840 0.056 0.000 0.745 359 L CB -0.557 41.522 42.059 0.033 0.000 0.894 359 L HN 0.353 nan 8.230 nan 0.000 0.432 360 A N -0.145 122.696 122.820 0.035 0.000 1.902 360 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 360 A C 2.167 179.771 177.584 0.033 0.000 1.181 360 A CA 1.357 53.409 52.037 0.026 0.000 0.623 360 A CB -0.655 18.376 19.000 0.051 0.000 0.818 360 A HN 0.474 nan 8.150 nan 0.000 0.443 361 L N -0.651 120.604 121.223 0.054 0.000 2.083 361 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 361 L C 2.689 179.572 176.870 0.021 0.000 1.083 361 L CA 1.366 56.233 54.840 0.045 0.000 0.752 361 L CB -0.519 41.587 42.059 0.077 0.000 0.899 361 L HN 0.440 nan 8.230 nan 0.000 0.433 362 E N -0.063 120.151 120.200 0.023 0.000 2.072 362 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 362 E C 2.322 178.916 176.600 -0.011 0.000 0.982 362 E CA 0.728 57.129 56.400 0.002 0.000 0.803 362 E CB -0.014 29.686 29.700 0.001 0.000 0.755 362 E HN 0.476 nan 8.360 nan 0.000 0.453 363 R N 0.616 121.106 120.500 -0.016 0.000 2.073 363 R HA -0.038 4.302 4.340 -0.000 0.000 0.234 363 R C 2.641 178.902 176.300 -0.065 0.000 1.134 363 R CA 0.750 56.829 56.100 -0.035 0.000 0.952 363 R CB -0.662 29.614 30.300 -0.040 0.000 0.850 363 R HN 0.186 nan 8.270 nan 0.000 0.433 364 L N 0.326 121.502 121.223 -0.078 0.000 2.131 364 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 364 L C 2.550 179.370 176.870 -0.083 0.000 1.092 364 L CA 1.245 56.008 54.840 -0.129 0.000 0.759 364 L CB -0.959 41.043 42.059 -0.094 0.000 0.903 364 L HN 0.350 nan 8.230 nan 0.000 0.435 365 G N 1.498 110.275 108.800 -0.039 0.000 2.701 365 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.215 365 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.215 365 G C 1.237 176.134 174.900 -0.005 0.000 1.297 365 G CA 0.908 45.997 45.100 -0.018 0.000 0.807 365 G HN 0.480 nan 8.290 nan 0.000 0.608 366 R N 0.298 120.797 120.500 -0.001 0.000 2.416 366 R HA 0.161 4.500 4.340 -0.000 0.000 0.207 366 R C -0.154 176.168 176.300 0.036 0.000 1.220 366 R CA 0.620 56.729 56.100 0.016 0.000 1.194 366 R CB -0.689 29.618 30.300 0.012 0.000 0.892 366 R HN 0.201 nan 8.270 nan 0.000 0.481 367 V N 0.728 120.663 119.914 0.034 0.000 2.771 367 V HA 0.125 4.245 4.120 -0.000 0.000 0.355 367 V C 0.458 176.649 176.094 0.162 0.000 1.289 367 V CA -0.412 61.945 62.300 0.096 0.000 1.231 367 V CB 0.031 31.844 31.823 -0.017 0.000 1.396 367 V HN 0.361 nan 8.190 nan 0.000 0.628 368 V N 0.000 119.990 119.914 0.127 0.000 2.409 368 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 368 V CA 0.000 62.380 62.300 0.133 0.000 1.235 368 V CB 0.000 31.882 31.823 0.098 0.000 1.184 368 V HN 0.000 nan 8.190 nan 0.000 0.556