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 2jh3_1_A DATA FIRST_RESID -1 DATA SEQUENCE GALRSLVLIG HGSHHHGESA RATQQVAEAL RGRGLAGHLP YDEVLEGYWQ DATA SEQUENCE QEPGLRQVLR TVAYSDVTVV PVFLSEGYVT ETVLPRELGL GHQGPVPTGG DATA SEQUENCE VVRVLGGRRV RYTRPLGAHP GMADAIAAQA RDTLPEGTDP ADVTLLLLAA DATA SEQUENCE RPGNAALETH AQALRERGQF AGVEVVLESR EXXXXXXXXX SAVPLSEWPS DATA SEQUENCE RVEAGQAVLV PFLTHLGKHA AERLQQALAQ AAERFPQAPP LHVGGPVGEH DATA SEQUENCE PAVAEVVLAL AAEGREDERG GDIDQAHAEA WAALRHLAER GGRLGEVLLT DATA SEQUENCE PYGGLFELRH TLDEGRATLD LQTVVTPEGL RDLTARDEAG RWRPIRTWRT DATA SEQUENCE LPRGWRAVLS PADLRLGLEL LYPAVIEESY AHEHRRLHWT PWMSTARRQT DATA SEQUENCE GTLARVQRAT PDQVDTVAAQ VCASCLRTRL WAGHTLGQTI FSGVPGGLPC DATA SEQUENCE AEACTVLLAA VRDEVGRE 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -1 G C 0.000 174.851 174.900 -0.082 0.000 0.946 -1 G CA 0.000 45.060 45.100 -0.066 0.000 0.502 0 A N 1.206 123.963 122.820 -0.105 0.000 2.412 0 A HA 0.797 5.117 4.320 -0.000 0.000 0.334 0 A C -0.222 177.253 177.584 -0.181 0.000 1.419 0 A CA -0.236 51.732 52.037 -0.115 0.000 0.930 0 A CB 0.227 19.167 19.000 -0.101 0.000 1.149 0 A HN 0.396 nan 8.150 nan 0.000 0.515 1 L N 3.342 124.431 121.223 -0.223 0.000 2.307 1 L HA 0.735 5.075 4.340 -0.000 0.000 0.284 1 L C 0.422 177.085 176.870 -0.345 0.000 1.023 1 L CA -0.521 54.051 54.840 -0.446 0.000 0.810 1 L CB 1.619 43.270 42.059 -0.681 0.000 1.231 1 L HN 0.897 nan 8.230 nan 0.000 0.423 2 R N 1.132 121.441 120.500 -0.318 0.000 2.698 2 R HA 0.750 5.090 4.340 -0.000 0.000 0.275 2 R C -1.447 175.006 176.300 0.256 0.000 1.001 2 R CA -0.756 55.346 56.100 0.004 0.000 0.896 2 R CB 1.755 32.066 30.300 0.017 0.000 1.218 2 R HN 0.394 nan 8.270 nan 0.000 0.462 3 S N 1.810 117.715 115.700 0.342 0.000 2.501 3 S HA 0.505 4.975 4.470 -0.000 0.000 0.301 3 S C -1.056 173.617 174.600 0.122 0.000 1.096 3 S CA -0.850 57.516 58.200 0.277 0.000 1.063 3 S CB 1.481 64.776 63.200 0.159 0.000 1.042 3 S HN 0.502 nan 8.310 nan 0.000 0.494 4 L N 3.404 124.590 121.223 -0.062 0.000 2.322 4 L HA 0.701 5.041 4.340 -0.000 0.000 0.281 4 L C -1.283 175.486 176.870 -0.169 0.000 1.014 4 L CA -0.448 54.194 54.840 -0.329 0.000 0.815 4 L CB 1.453 43.093 42.059 -0.699 0.000 1.247 4 L HN 0.463 nan 8.230 nan 0.000 0.421 5 V N 6.465 126.295 119.914 -0.139 0.000 2.378 5 V HA 0.424 4.544 4.120 -0.000 0.000 0.288 5 V C -0.075 175.956 176.094 -0.105 0.000 1.016 5 V CA -0.575 61.668 62.300 -0.095 0.000 0.840 5 V CB 1.477 33.268 31.823 -0.054 0.000 0.994 5 V HN 0.602 nan 8.190 nan 0.000 0.431 6 L N 5.833 126.989 121.223 -0.111 0.000 2.292 6 L HA 0.557 4.896 4.340 -0.000 0.000 0.284 6 L C -0.642 176.147 176.870 -0.135 0.000 1.065 6 L CA -0.493 54.284 54.840 -0.106 0.000 0.806 6 L CB 1.316 43.315 42.059 -0.100 0.000 1.175 6 L HN 0.384 nan 8.230 nan 0.000 0.431 7 I N 2.610 123.143 120.570 -0.061 0.000 2.362 7 I HA 0.498 4.668 4.170 -0.000 0.000 0.289 7 I C 0.592 176.767 176.117 0.097 0.000 0.994 7 I CA -0.129 61.156 61.300 -0.025 0.000 1.158 7 I CB 1.274 39.347 38.000 0.120 0.000 1.315 7 I HN 0.602 nan 8.210 nan 0.000 0.451 8 G N 3.193 111.948 108.800 -0.075 0.000 2.644 8 G HA2 0.337 4.297 3.960 -0.000 0.000 0.307 8 G HA3 0.337 4.297 3.960 -0.000 0.000 0.307 8 G C 0.454 175.540 174.900 0.309 0.000 1.250 8 G CA -0.222 44.906 45.100 0.047 0.000 0.996 8 G HN 0.687 nan 8.290 nan 0.000 0.489 9 H N -0.510 118.565 119.070 0.009 0.000 2.307 9 H HA 0.277 4.833 4.556 -0.000 0.000 0.303 9 H C 1.750 177.281 175.328 0.339 0.000 1.073 9 H CA 2.434 58.659 56.048 0.295 0.000 1.338 9 H CB -0.328 29.467 29.762 0.056 0.000 1.389 9 H HN 1.205 nan 8.280 nan 0.000 0.503 10 G N -0.597 108.406 108.800 0.338 0.000 2.750 10 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.228 10 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.228 10 G C -0.536 174.413 174.900 0.081 0.000 1.367 10 G CA 0.097 45.249 45.100 0.086 0.000 0.871 10 G HN 0.831 nan 8.290 nan 0.000 0.560 11 S N -2.350 113.357 115.700 0.013 0.000 2.552 11 S HA 0.581 5.051 4.470 -0.000 0.000 0.272 11 S C 0.506 175.150 174.600 0.074 0.000 1.150 11 S CA 0.304 58.472 58.200 -0.054 0.000 0.849 11 S CB 1.108 64.201 63.200 -0.177 0.000 1.113 11 S HN 0.933 nan 8.310 nan 0.000 0.458 12 H N 2.071 121.023 119.070 -0.197 0.000 2.495 12 H HA 0.209 4.765 4.556 -0.000 0.000 0.287 12 H C 1.123 176.153 175.328 -0.497 0.000 1.033 12 H CA 1.433 57.254 56.048 -0.379 0.000 1.307 12 H CB 0.088 29.470 29.762 -0.633 0.000 1.401 12 H HN 0.558 nan 8.280 nan 0.000 0.555 13 H N -1.472 117.515 119.070 -0.139 0.000 3.400 13 H HA 0.179 4.735 4.556 -0.000 0.000 0.251 13 H C -0.066 174.789 175.328 -0.789 0.000 1.040 13 H CA 0.066 55.848 56.048 -0.443 0.000 1.175 13 H CB 1.270 30.622 29.762 -0.684 0.000 1.487 13 H HN 0.255 nan 8.280 nan 0.000 0.505 14 H N -0.540 118.234 119.070 -0.493 0.000 2.600 14 H HA 0.269 4.825 4.556 -0.000 0.000 0.357 14 H C 0.966 175.558 175.328 -1.225 0.000 1.106 14 H CA -0.224 55.430 56.048 -0.657 0.000 1.193 14 H CB 1.987 31.530 29.762 -0.365 0.000 1.594 14 H HN 0.261 nan 8.280 nan 0.000 0.526 15 G N 1.403 109.501 108.800 -1.170 0.000 2.813 15 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.209 15 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.209 15 G C 0.791 175.314 174.900 -0.628 0.000 1.150 15 G CA 0.074 44.330 45.100 -1.407 0.000 0.785 15 G HN 0.433 nan 8.290 nan 0.000 0.535 16 E N 0.989 120.914 120.200 -0.458 0.000 2.208 16 E HA -0.024 4.326 4.350 -0.000 0.000 0.193 16 E C 2.442 178.704 176.600 -0.563 0.000 0.988 16 E CA 0.923 57.120 56.400 -0.339 0.000 0.828 16 E CB -0.094 29.510 29.700 -0.160 0.000 0.763 16 E HN 0.328 nan 8.360 nan 0.000 0.478 17 S N 0.040 115.283 115.700 -0.762 0.000 2.561 17 S HA 0.162 4.632 4.470 -0.000 0.000 0.225 17 S C 1.623 175.981 174.600 -0.403 0.000 0.977 17 S CA 0.620 58.236 58.200 -0.974 0.000 0.926 17 S CB 0.291 63.162 63.200 -0.549 0.000 0.769 17 S HN 0.376 nan 8.310 nan 0.000 0.533 18 A N 1.032 123.680 122.820 -0.286 0.000 2.141 18 A HA 0.352 4.672 4.320 -0.000 0.000 0.201 18 A C 1.869 179.455 177.584 0.004 0.000 1.344 18 A CA -0.242 51.737 52.037 -0.097 0.000 0.971 18 A CB -0.060 18.760 19.000 -0.299 0.000 1.035 18 A HN 0.256 nan 8.150 nan 0.000 0.480 19 R N 0.178 120.635 120.500 -0.071 0.000 2.105 19 R HA -0.159 4.181 4.340 -0.000 0.000 0.239 19 R C 2.309 178.610 176.300 0.002 0.000 1.135 19 R CA 1.380 57.469 56.100 -0.019 0.000 0.967 19 R CB -0.260 30.014 30.300 -0.044 0.000 0.861 19 R HN 0.504 nan 8.270 nan 0.000 0.442 20 A N -0.103 122.710 122.820 -0.012 0.000 1.883 20 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 20 A C 2.155 179.751 177.584 0.020 0.000 1.186 20 A CA 2.145 54.184 52.037 0.003 0.000 0.624 20 A CB -0.898 18.101 19.000 -0.003 0.000 0.822 20 A HN 0.350 nan 8.150 nan 0.000 0.444 21 T N 0.092 114.679 114.554 0.055 0.000 2.746 21 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 21 T C 2.043 176.788 174.700 0.076 0.000 1.039 21 T CA 1.781 63.921 62.100 0.067 0.000 1.142 21 T CB -0.289 68.658 68.868 0.131 0.000 0.866 21 T HN 0.639 nan 8.240 nan 0.000 0.444 22 Q N 0.572 120.442 119.800 0.117 0.000 2.167 22 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 22 Q C 2.539 178.565 176.000 0.043 0.000 0.970 22 Q CA 1.102 56.960 55.803 0.093 0.000 0.855 22 Q CB -0.143 28.653 28.738 0.096 0.000 0.911 22 Q HN 0.589 nan 8.270 nan 0.000 0.438 23 Q N -0.239 119.578 119.800 0.027 0.000 2.046 23 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 23 Q C 2.210 178.210 176.000 0.001 0.000 0.975 23 Q CA 1.434 57.242 55.803 0.008 0.000 0.836 23 Q CB 0.095 28.832 28.738 -0.001 0.000 0.896 23 Q HN 0.196 nan 8.270 nan 0.000 0.428 24 V N 0.765 120.679 119.914 -0.001 0.000 2.307 24 V HA -0.280 3.840 4.120 -0.000 0.000 0.245 24 V C 2.231 178.318 176.094 -0.012 0.000 1.045 24 V CA 1.790 64.084 62.300 -0.011 0.000 1.024 24 V CB -1.046 30.765 31.823 -0.020 0.000 0.651 24 V HN 0.419 nan 8.190 nan 0.000 0.449 25 A N -0.305 122.510 122.820 -0.008 0.000 1.883 25 A HA -0.315 4.005 4.320 -0.000 0.000 0.217 25 A C 2.303 179.885 177.584 -0.002 0.000 1.186 25 A CA 2.236 54.266 52.037 -0.011 0.000 0.624 25 A CB -0.597 18.401 19.000 -0.004 0.000 0.822 25 A HN 0.633 nan 8.150 nan 0.000 0.444 26 E N -0.300 119.903 120.200 0.005 0.000 2.077 26 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 26 E C 2.134 178.737 176.600 0.005 0.000 0.989 26 E CA 1.005 57.408 56.400 0.005 0.000 0.800 26 E CB -0.259 29.445 29.700 0.006 0.000 0.746 26 E HN 0.545 nan 8.360 nan 0.000 0.452 27 A N 0.966 123.787 122.820 0.001 0.000 1.902 27 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 27 A C 2.176 179.767 177.584 0.011 0.000 1.181 27 A CA 1.080 53.118 52.037 0.001 0.000 0.623 27 A CB -0.550 18.445 19.000 -0.008 0.000 0.818 27 A HN 0.313 nan 8.150 nan 0.000 0.443 28 L N -1.370 119.859 121.223 0.009 0.000 2.156 28 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 28 L C 2.820 179.709 176.870 0.031 0.000 1.095 28 L CA 0.943 55.795 54.840 0.020 0.000 0.770 28 L CB -0.411 41.650 42.059 0.003 0.000 0.914 28 L HN 0.364 nan 8.230 nan 0.000 0.439 29 R N -0.060 120.453 120.500 0.021 0.000 2.092 29 R HA -0.092 4.247 4.340 -0.000 0.000 0.231 29 R C 2.387 178.704 176.300 0.028 0.000 1.119 29 R CA 1.179 57.294 56.100 0.025 0.000 0.970 29 R CB -0.690 29.619 30.300 0.015 0.000 0.864 29 R HN 0.392 nan 8.270 nan 0.000 0.440 30 G N 1.151 109.966 108.800 0.026 0.000 2.476 30 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 30 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 30 G C 1.433 176.361 174.900 0.046 0.000 1.164 30 G CA 0.628 45.746 45.100 0.030 0.000 0.768 30 G HN 0.255 nan 8.290 nan 0.000 0.560 31 R N -0.036 120.499 120.500 0.059 0.000 2.096 31 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 31 R C 2.902 179.248 176.300 0.077 0.000 1.127 31 R CA 0.950 57.109 56.100 0.098 0.000 0.968 31 R CB -0.554 29.806 30.300 0.099 0.000 0.861 31 R HN 0.368 nan 8.270 nan 0.000 0.440 32 G N 0.683 109.515 108.800 0.053 0.000 2.470 32 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.220 32 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.220 32 G C 1.337 176.235 174.900 -0.003 0.000 1.121 32 G CA 0.461 45.579 45.100 0.030 0.000 0.766 32 G HN 0.151 nan 8.290 nan 0.000 0.553 33 L N 0.287 121.512 121.223 0.003 0.000 2.162 33 L HA 0.177 4.517 4.340 -0.000 0.000 0.205 33 L C 3.065 179.912 176.870 -0.039 0.000 1.086 33 L CA 0.710 55.544 54.840 -0.011 0.000 0.778 33 L CB -0.260 41.803 42.059 0.007 0.000 0.928 33 L HN 0.198 nan 8.230 nan 0.000 0.446 34 A N 0.124 122.932 122.820 -0.019 0.000 2.259 34 A HA 0.124 4.444 4.320 -0.000 0.000 0.212 34 A C 1.911 179.242 177.584 -0.422 0.000 1.178 34 A CA 0.972 52.976 52.037 -0.054 0.000 0.734 34 A CB -1.033 18.083 19.000 0.193 0.000 0.774 34 A HN 0.601 nan 8.150 nan 0.000 0.481 35 G N -1.404 107.214 108.800 -0.304 0.000 2.212 35 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.266 35 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.266 35 G C 0.352 175.056 174.900 -0.327 0.000 0.978 35 G CA 0.526 45.418 45.100 -0.346 0.000 0.632 35 G HN 0.778 nan 8.290 nan 0.000 0.537 36 H N -0.671 118.399 119.070 0.000 0.000 2.595 36 H HA 0.562 5.118 4.556 -0.000 0.000 0.264 36 H C -0.152 175.182 175.328 0.010 0.000 1.503 36 H CA 0.162 56.211 56.048 0.001 0.000 1.142 36 H CB 0.173 29.936 29.762 0.003 0.000 1.554 36 H HN 0.343 nan 8.280 nan 0.000 0.501 37 L N 2.206 123.466 121.223 0.060 0.000 2.464 37 L HA 0.331 4.671 4.340 -0.000 0.000 0.266 37 L C -2.042 174.825 176.870 -0.005 0.000 0.965 37 L CA -1.586 53.296 54.840 0.071 0.000 0.833 37 L CB 2.448 44.567 42.059 0.100 0.000 1.296 37 L HN -0.111 nan 8.230 nan 0.000 0.405 38 P HA 0.133 nan 4.420 nan 0.000 0.258 38 P C -1.318 175.562 177.300 -0.700 0.000 1.403 38 P CA 0.492 63.400 63.100 -0.321 0.000 0.826 38 P CB -0.442 31.039 31.700 -0.365 0.000 1.414 39 Y N -0.930 119.352 120.300 -0.030 0.000 2.492 39 Y HA 0.237 4.787 4.550 -0.000 0.000 0.346 39 Y C 1.136 177.018 175.900 -0.029 0.000 0.997 39 Y CA -0.826 57.257 58.100 -0.028 0.000 1.025 39 Y CB 1.749 40.206 38.460 -0.005 0.000 1.263 39 Y HN -0.242 nan 8.280 nan 0.000 0.454 40 D N 1.199 121.655 120.400 0.092 0.000 2.350 40 D HA -0.005 4.635 4.640 -0.000 0.000 0.213 40 D C -0.024 176.396 176.300 0.199 0.000 1.031 40 D CA 0.723 54.758 54.000 0.060 0.000 0.861 40 D CB 0.803 41.496 40.800 -0.178 0.000 0.926 40 D HN 0.784 nan 8.370 nan 0.000 0.520 41 E N -0.741 119.596 120.200 0.228 0.000 2.401 41 E HA 0.427 4.777 4.350 -0.000 0.000 0.280 41 E C -1.701 174.949 176.600 0.083 0.000 1.039 41 E CA -0.881 55.604 56.400 0.141 0.000 0.814 41 E CB 1.819 31.587 29.700 0.114 0.000 1.275 41 E HN -0.266 nan 8.360 nan 0.000 0.448 42 V N 2.408 122.334 119.914 0.021 0.000 2.482 42 V HA 0.440 4.560 4.120 -0.000 0.000 0.295 42 V C -0.369 175.705 176.094 -0.033 0.000 1.026 42 V CA -0.568 61.716 62.300 -0.026 0.000 0.856 42 V CB 1.073 32.878 31.823 -0.029 0.000 1.001 42 V HN 0.610 nan 8.190 nan 0.000 0.424 43 L N 3.397 124.591 121.223 -0.048 0.000 2.286 43 L HA 0.735 5.074 4.340 -0.000 0.000 0.265 43 L C -0.255 176.580 176.870 -0.058 0.000 1.012 43 L CA -0.805 54.010 54.840 -0.040 0.000 0.818 43 L CB 2.491 44.528 42.059 -0.038 0.000 1.337 43 L HN 0.574 nan 8.230 nan 0.000 0.438 44 E N -0.486 119.684 120.200 -0.049 0.000 2.256 44 E HA 0.673 5.023 4.350 -0.000 0.000 0.267 44 E C -0.741 175.761 176.600 -0.164 0.000 0.892 44 E CA -0.632 55.692 56.400 -0.127 0.000 0.775 44 E CB 2.490 32.168 29.700 -0.037 0.000 1.207 44 E HN 0.711 nan 8.360 nan 0.000 0.420 45 G N 1.200 109.786 108.800 -0.357 0.000 2.660 45 G HA2 0.601 4.561 3.960 -0.000 0.000 0.294 45 G HA3 0.601 4.561 3.960 -0.000 0.000 0.294 45 G C -1.832 172.729 174.900 -0.566 0.000 1.369 45 G CA -0.414 44.521 45.100 -0.275 0.000 0.912 45 G HN 0.349 nan 8.290 nan 0.000 0.479 46 Y N -0.967 119.412 120.300 0.132 0.000 2.553 46 Y HA 0.396 4.946 4.550 -0.000 0.000 0.347 46 Y C 0.250 176.290 175.900 0.233 0.000 1.019 46 Y CA -0.891 57.315 58.100 0.176 0.000 1.032 46 Y CB 2.088 40.629 38.460 0.136 0.000 1.284 46 Y HN 0.665 nan 8.280 nan 0.000 0.466 47 W N 1.253 122.659 121.300 0.175 0.000 2.407 47 W HA -0.046 4.614 4.660 -0.000 0.000 0.305 47 W C 0.988 177.526 176.519 0.032 0.000 1.196 47 W CA 1.712 59.085 57.345 0.047 0.000 1.311 47 W CB 0.181 29.610 29.460 -0.052 0.000 1.135 47 W HN 0.500 nan 8.180 nan 0.000 0.514 48 Q N 0.311 120.125 119.800 0.023 0.000 2.198 48 Q HA 0.136 4.476 4.340 -0.000 0.000 0.209 48 Q C -0.165 175.893 176.000 0.096 0.000 0.848 48 Q CA 0.274 55.992 55.803 -0.141 0.000 0.974 48 Q CB 0.594 29.086 28.738 -0.410 0.000 1.115 48 Q HN 0.562 nan 8.270 nan 0.000 0.494 49 Q N -1.564 118.324 119.800 0.147 0.000 2.630 49 Q HA 0.444 4.784 4.340 -0.000 0.000 0.295 49 Q C -1.161 174.914 176.000 0.125 0.000 0.944 49 Q CA -0.787 55.069 55.803 0.089 0.000 0.766 49 Q CB 1.158 29.916 28.738 0.033 0.000 1.471 49 Q HN -0.108 nan 8.270 nan 0.000 0.416 50 E N 1.299 121.520 120.200 0.035 0.000 2.343 50 E HA 0.289 4.638 4.350 -0.000 0.000 0.269 50 E C -2.260 174.427 176.600 0.145 0.000 1.047 50 E CA -1.873 54.577 56.400 0.083 0.000 0.874 50 E CB 0.651 30.362 29.700 0.019 0.000 1.033 50 E HN 0.347 nan 8.360 nan 0.000 0.409 51 P HA 0.036 nan 4.420 nan 0.000 0.267 51 P C -0.268 177.155 177.300 0.204 0.000 1.205 51 P CA 0.013 63.221 63.100 0.179 0.000 0.765 51 P CB 0.675 32.464 31.700 0.148 0.000 0.828 52 G N 1.924 110.815 108.800 0.152 0.000 2.502 52 G HA2 0.297 4.257 3.960 -0.000 0.000 0.305 52 G HA3 0.297 4.257 3.960 -0.000 0.000 0.305 52 G C 0.927 175.895 174.900 0.113 0.000 1.190 52 G CA -0.801 44.391 45.100 0.154 0.000 0.933 52 G HN 0.411 nan 8.290 nan 0.000 0.503 53 L N 0.031 121.322 121.223 0.113 0.000 2.131 53 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 53 L C 2.845 179.734 176.870 0.032 0.000 1.092 53 L CA 0.717 55.590 54.840 0.055 0.000 0.759 53 L CB -0.233 41.845 42.059 0.031 0.000 0.903 53 L HN 0.367 nan 8.230 nan 0.000 0.435 54 R N 0.080 120.607 120.500 0.046 0.000 2.280 54 R HA -0.050 4.290 4.340 -0.000 0.000 0.207 54 R C 1.785 178.118 176.300 0.054 0.000 1.043 54 R CA 0.733 56.855 56.100 0.036 0.000 1.006 54 R CB -0.182 30.139 30.300 0.035 0.000 0.885 54 R HN 0.594 nan 8.270 nan 0.000 0.467 55 Q N -0.634 119.207 119.800 0.069 0.000 2.442 55 Q HA 0.099 4.439 4.340 -0.000 0.000 0.228 55 Q C 1.986 178.035 176.000 0.082 0.000 0.902 55 Q CA 0.143 55.997 55.803 0.085 0.000 0.933 55 Q CB 0.096 28.893 28.738 0.099 0.000 1.071 55 Q HN 0.008 nan 8.270 nan 0.000 0.562 56 V N 1.606 121.558 119.914 0.064 0.000 2.392 56 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 56 V C 1.897 178.018 176.094 0.044 0.000 1.059 56 V CA 1.602 63.933 62.300 0.051 0.000 1.051 56 V CB -0.234 31.602 31.823 0.022 0.000 0.658 56 V HN 0.338 nan 8.190 nan 0.000 0.455 57 L N 0.187 121.433 121.223 0.038 0.000 2.217 57 L HA -0.083 4.257 4.340 -0.000 0.000 0.211 57 L C 2.666 179.567 176.870 0.052 0.000 1.107 57 L CA 1.670 56.528 54.840 0.030 0.000 0.783 57 L CB -0.542 41.529 42.059 0.020 0.000 0.919 57 L HN 0.450 nan 8.230 nan 0.000 0.442 58 R N 0.083 120.633 120.500 0.084 0.000 2.235 58 R HA -0.098 4.242 4.340 -0.000 0.000 0.213 58 R C 1.861 178.281 176.300 0.200 0.000 1.059 58 R CA 1.511 57.688 56.100 0.129 0.000 0.997 58 R CB -0.532 29.846 30.300 0.130 0.000 0.884 58 R HN 0.292 nan 8.270 nan 0.000 0.462 59 T N -1.355 113.302 114.554 0.173 0.000 3.100 59 T HA 0.113 4.463 4.350 -0.000 0.000 0.253 59 T C 0.802 175.552 174.700 0.084 0.000 1.118 59 T CA 0.050 62.296 62.100 0.243 0.000 1.058 59 T CB -0.047 68.932 68.868 0.185 0.000 0.953 59 T HN 0.175 nan 8.240 nan 0.000 0.515 60 V N 0.024 119.894 119.914 -0.074 0.000 2.583 60 V HA 0.828 4.948 4.120 -0.000 0.000 0.287 60 V C 1.383 177.084 176.094 -0.655 0.000 1.051 60 V CA -0.323 61.816 62.300 -0.269 0.000 1.010 60 V CB 0.572 32.320 31.823 -0.124 0.000 0.988 60 V HN 0.269 nan 8.190 nan 0.000 0.478 61 A N 3.681 125.924 122.820 -0.961 0.000 2.072 61 A HA 0.300 4.620 4.320 -0.000 0.000 0.216 61 A C 0.724 177.725 177.584 -0.972 0.000 1.156 61 A CA 0.731 51.937 52.037 -1.384 0.000 0.701 61 A CB -0.342 17.822 19.000 -1.393 0.000 0.816 61 A HN 0.922 nan 8.150 nan 0.000 0.458 62 Y N -1.380 118.818 120.300 -0.169 0.000 2.621 62 Y HA 0.442 4.992 4.550 -0.000 0.000 0.334 62 Y C 1.412 177.287 175.900 -0.041 0.000 1.074 62 Y CA -1.016 57.042 58.100 -0.070 0.000 1.149 62 Y CB 1.254 39.690 38.460 -0.040 0.000 1.302 62 Y HN 0.051 nan 8.280 nan 0.000 0.501 63 S N -1.633 114.168 115.700 0.169 0.000 2.556 63 S HA 0.098 4.568 4.470 -0.000 0.000 0.216 63 S C -0.232 174.414 174.600 0.076 0.000 0.970 63 S CA -0.070 58.184 58.200 0.089 0.000 0.912 63 S CB 0.039 63.283 63.200 0.074 0.000 0.790 63 S HN 0.677 nan 8.310 nan 0.000 0.504 64 D N 1.092 121.552 120.400 0.100 0.000 2.481 64 D HA 0.431 5.071 4.640 -0.000 0.000 0.246 64 D C -1.602 174.764 176.300 0.111 0.000 1.109 64 D CA -0.284 53.765 54.000 0.082 0.000 0.845 64 D CB 2.166 43.001 40.800 0.057 0.000 1.160 64 D HN 0.111 nan 8.370 nan 0.000 0.534 65 V N 3.264 123.231 119.914 0.087 0.000 2.709 65 V HA 0.538 4.658 4.120 -0.000 0.000 0.308 65 V C -0.813 175.321 176.094 0.067 0.000 1.062 65 V CA -0.203 62.146 62.300 0.081 0.000 0.901 65 V CB 2.276 34.127 31.823 0.047 0.000 1.003 65 V HN 0.599 nan 8.190 nan 0.000 0.425 66 T N 5.746 120.329 114.554 0.049 0.000 2.792 66 T HA 0.584 4.934 4.350 -0.000 0.000 0.280 66 T C -0.736 173.934 174.700 -0.050 0.000 0.990 66 T CA -0.327 61.778 62.100 0.008 0.000 0.960 66 T CB 1.458 70.334 68.868 0.013 0.000 0.939 66 T HN 0.504 nan 8.240 nan 0.000 0.439 67 V N 4.260 124.163 119.914 -0.019 0.000 2.357 67 V HA 0.418 4.538 4.120 -0.000 0.000 0.284 67 V C -0.204 175.838 176.094 -0.087 0.000 1.018 67 V CA -0.738 61.557 62.300 -0.008 0.000 0.841 67 V CB 1.499 33.394 31.823 0.120 0.000 0.991 67 V HN 0.710 nan 8.190 nan 0.000 0.437 68 V N 7.686 127.533 119.914 -0.111 0.000 2.370 68 V HA 0.383 4.503 4.120 -0.000 0.000 0.283 68 V C -2.425 173.624 176.094 -0.076 0.000 1.023 68 V CA -2.173 60.042 62.300 -0.142 0.000 0.857 68 V CB 1.927 33.673 31.823 -0.129 0.000 0.985 68 V HN 0.705 nan 8.190 nan 0.000 0.443 69 P HA 0.143 nan 4.420 nan 0.000 0.276 69 P C -0.101 177.327 177.300 0.213 0.000 1.264 69 P CA -0.060 63.103 63.100 0.105 0.000 0.769 69 P CB 0.627 32.306 31.700 -0.035 0.000 0.840 70 V N 5.682 125.737 119.914 0.236 0.000 1.973 70 V HA 0.168 4.288 4.120 -0.000 0.000 0.255 70 V C -0.083 176.030 176.094 0.032 0.000 1.605 70 V CA 0.442 62.795 62.300 0.088 0.000 1.542 70 V CB -1.899 29.916 31.823 -0.012 0.000 1.504 70 V HN 0.427 nan 8.190 nan 0.000 0.505 71 F N 1.337 121.291 119.950 0.006 0.000 2.565 71 F HA 0.517 5.044 4.527 -0.000 0.000 0.313 71 F C 0.413 176.200 175.800 -0.022 0.000 1.091 71 F CA -0.824 57.193 58.000 0.027 0.000 0.915 71 F CB 2.370 41.410 39.000 0.067 0.000 1.208 71 F HN 0.001 nan 8.300 nan 0.000 0.453 72 L N 3.029 124.286 121.223 0.057 0.000 2.978 72 L HA 0.306 4.646 4.340 -0.000 0.000 0.239 72 L C -0.274 176.680 176.870 0.139 0.000 1.293 72 L CA -0.085 54.684 54.840 -0.118 0.000 1.085 72 L CB -0.814 40.850 42.059 -0.658 0.000 1.432 72 L HN 0.631 nan 8.230 nan 0.000 0.512 73 S N -1.531 114.308 115.700 0.231 0.000 2.638 73 S HA 0.593 5.063 4.470 -0.000 0.000 0.274 73 S C -0.935 173.773 174.600 0.181 0.000 1.157 73 S CA -0.838 57.503 58.200 0.234 0.000 0.826 73 S CB 2.876 66.210 63.200 0.223 0.000 1.139 73 S HN 0.203 nan 8.310 nan 0.000 0.474 74 E N -0.203 120.080 120.200 0.137 0.000 2.343 74 E HA 0.585 4.935 4.350 -0.000 0.000 0.260 74 E C -0.317 176.330 176.600 0.078 0.000 0.908 74 E CA -0.433 56.018 56.400 0.086 0.000 0.814 74 E CB 0.803 30.550 29.700 0.078 0.000 1.302 74 E HN 1.139 nan 8.360 nan 0.000 0.408 75 G N 2.099 110.937 108.800 0.064 0.000 2.435 75 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.296 75 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.296 75 G C -0.572 174.380 174.900 0.085 0.000 1.240 75 G CA -0.391 44.765 45.100 0.094 0.000 0.872 75 G HN 0.432 nan 8.290 nan 0.000 0.480 76 Y N 0.303 120.601 120.300 -0.004 0.000 2.151 76 Y HA -0.123 4.427 4.550 -0.000 0.000 0.284 76 Y C 2.913 178.756 175.900 -0.095 0.000 1.166 76 Y CA 2.809 60.889 58.100 -0.033 0.000 1.163 76 Y CB -0.275 38.181 38.460 -0.007 0.000 0.974 76 Y HN 0.131 nan 8.280 nan 0.000 0.511 77 V N -0.365 119.498 119.914 -0.084 0.000 2.295 77 V HA -0.323 3.797 4.120 -0.000 0.000 0.246 77 V C 2.512 178.337 176.094 -0.448 0.000 1.049 77 V CA 2.572 64.676 62.300 -0.327 0.000 1.024 77 V CB -1.339 30.376 31.823 -0.180 0.000 0.648 77 V HN 0.669 nan 8.190 nan 0.000 0.447 78 T N -2.323 112.042 114.554 -0.314 0.000 2.985 78 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 78 T C 1.544 176.199 174.700 -0.074 0.000 1.076 78 T CA 1.344 63.290 62.100 -0.257 0.000 1.135 78 T CB -0.154 68.600 68.868 -0.190 0.000 0.890 78 T HN 0.589 nan 8.240 nan 0.000 0.480 79 E N 0.335 120.470 120.200 -0.108 0.000 2.216 79 E HA 0.059 4.409 4.350 -0.000 0.000 0.192 79 E C 1.820 178.317 176.600 -0.172 0.000 0.973 79 E CA 1.032 57.406 56.400 -0.043 0.000 0.851 79 E CB 0.301 29.993 29.700 -0.014 0.000 0.804 79 E HN 0.487 nan 8.360 nan 0.000 0.477 80 T N -0.195 114.115 114.554 -0.408 0.000 3.114 80 T HA 0.040 4.390 4.350 -0.000 0.000 0.240 80 T C 2.033 176.402 174.700 -0.551 0.000 0.983 80 T CA 0.091 61.867 62.100 -0.540 0.000 1.151 80 T CB 0.095 68.451 68.868 -0.854 0.000 0.974 80 T HN -0.108 nan 8.240 nan 0.000 0.442 81 V N 2.555 122.062 119.914 -0.678 0.000 2.270 81 V HA -0.054 4.066 4.120 -0.000 0.000 0.245 81 V C 2.517 178.265 176.094 -0.576 0.000 1.043 81 V CA 1.564 63.485 62.300 -0.631 0.000 1.014 81 V CB -0.816 30.500 31.823 -0.845 0.000 0.645 81 V HN 0.374 nan 8.190 nan 0.000 0.447 82 L N -0.107 120.771 121.223 -0.574 0.000 2.017 82 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 82 L C 0.050 176.652 176.870 -0.448 0.000 1.073 82 L CA 1.659 56.219 54.840 -0.467 0.000 0.745 82 L CB -2.164 39.688 42.059 -0.345 0.000 0.894 82 L HN 0.356 nan 8.230 nan 0.000 0.432 83 P HA -0.174 nan 4.420 nan 0.000 0.215 83 P C 1.571 178.679 177.300 -0.321 0.000 1.153 83 P CA 1.317 64.110 63.100 -0.511 0.000 0.853 83 P CB -0.082 31.370 31.700 -0.414 0.000 0.788 84 R N 0.073 120.402 120.500 -0.285 0.000 2.081 84 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 84 R C 2.020 178.211 176.300 -0.183 0.000 1.131 84 R CA 1.373 57.346 56.100 -0.213 0.000 0.960 84 R CB -0.318 29.852 30.300 -0.215 0.000 0.856 84 R HN 0.090 nan 8.270 nan 0.000 0.436 85 E N 0.352 120.429 120.200 -0.205 0.000 2.107 85 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 85 E C 1.912 178.440 176.600 -0.120 0.000 0.982 85 E CA 0.545 56.861 56.400 -0.140 0.000 0.809 85 E CB -0.034 29.585 29.700 -0.134 0.000 0.756 85 E HN 0.248 nan 8.360 nan 0.000 0.459 86 L N 0.030 121.154 121.223 -0.165 0.000 2.275 86 L HA -0.005 4.335 4.340 -0.000 0.000 0.215 86 L C 1.354 178.151 176.870 -0.122 0.000 1.119 86 L CA 1.584 56.340 54.840 -0.140 0.000 0.790 86 L CB -1.274 40.664 42.059 -0.202 0.000 0.919 86 L HN 0.317 nan 8.230 nan 0.000 0.443 87 G N -0.872 107.847 108.800 -0.135 0.000 2.171 87 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.238 87 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.238 87 G C 0.944 175.780 174.900 -0.107 0.000 1.039 87 G CA 0.409 45.446 45.100 -0.105 0.000 0.759 87 G HN 0.378 nan 8.290 nan 0.000 0.501 88 L N 0.081 121.214 121.223 -0.149 0.000 2.418 88 L HA 0.330 4.669 4.340 -0.000 0.000 0.218 88 L C 2.076 178.903 176.870 -0.072 0.000 1.125 88 L CA 0.709 55.468 54.840 -0.135 0.000 0.835 88 L CB -0.164 41.751 42.059 -0.241 0.000 0.953 88 L HN 1.126 nan 8.230 nan 0.000 0.454 89 G N 0.718 109.476 108.800 -0.069 0.000 2.324 89 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.292 89 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.292 89 G C -0.283 174.624 174.900 0.012 0.000 1.079 89 G CA 0.395 45.471 45.100 -0.040 0.000 1.026 89 G HN 0.589 nan 8.290 nan 0.000 0.506 90 H N -0.643 118.352 119.070 -0.125 0.000 3.029 90 H HA 0.626 5.182 4.556 -0.000 0.000 0.358 90 H C -0.326 174.926 175.328 -0.127 0.000 1.129 90 H CA -0.126 55.856 56.048 -0.109 0.000 1.230 90 H CB 1.395 31.091 29.762 -0.109 0.000 1.827 90 H HN 0.571 nan 8.280 nan 0.000 0.530 91 Q N 3.771 123.225 119.800 -0.577 0.000 2.495 91 Q HA 0.649 4.989 4.340 -0.000 0.000 0.287 91 Q C -0.210 175.539 176.000 -0.418 0.000 1.078 91 Q CA -0.918 54.666 55.803 -0.364 0.000 0.793 91 Q CB 3.081 31.687 28.738 -0.219 0.000 1.459 91 Q HN 1.052 nan 8.270 nan 0.000 0.422 92 G N 0.682 109.384 108.800 -0.162 0.000 2.741 92 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.222 92 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.222 92 G C -2.597 172.347 174.900 0.074 0.000 1.364 92 G CA -0.650 44.416 45.100 -0.056 0.000 0.866 92 G HN 0.598 nan 8.290 nan 0.000 0.555 93 P HA 0.243 nan 4.420 nan 0.000 0.259 93 P C 0.219 177.642 177.300 0.205 0.000 1.163 93 P CA -0.020 63.148 63.100 0.113 0.000 0.760 93 P CB 0.520 32.261 31.700 0.069 0.000 0.762 94 V N 7.325 127.327 119.914 0.146 0.000 2.383 94 V HA 0.291 4.411 4.120 -0.000 0.000 0.275 94 V C -1.494 174.618 176.094 0.031 0.000 1.036 94 V CA -1.591 60.754 62.300 0.075 0.000 0.889 94 V CB 1.007 32.838 31.823 0.013 0.000 0.985 94 V HN 0.557 nan 8.190 nan 0.000 0.459 95 P HA 0.214 nan 4.420 nan 0.000 0.276 95 P C -0.080 177.221 177.300 0.002 0.000 1.252 95 P CA -0.352 62.758 63.100 0.017 0.000 0.802 95 P CB 0.494 32.206 31.700 0.021 0.000 1.035 96 T N 0.813 115.373 114.554 0.009 0.000 2.933 96 T HA 0.277 4.627 4.350 -0.000 0.000 0.306 96 T C 1.418 176.124 174.700 0.010 0.000 1.045 96 T CA 1.766 63.874 62.100 0.014 0.000 1.143 96 T CB -0.543 68.335 68.868 0.016 0.000 1.003 96 T HN 0.845 nan 8.240 nan 0.000 0.540 97 G N 1.643 110.450 108.800 0.011 0.000 2.217 97 G HA2 0.137 4.097 3.960 -0.000 0.000 0.246 97 G HA3 0.137 4.097 3.960 -0.000 0.000 0.246 97 G C 0.673 175.566 174.900 -0.011 0.000 0.990 97 G CA 0.120 45.223 45.100 0.006 0.000 0.627 97 G HN 1.934 nan 8.290 nan 0.000 0.522 98 G N -2.251 106.531 108.800 -0.029 0.000 2.710 98 G HA2 0.266 4.226 3.960 -0.000 0.000 0.668 98 G HA3 0.266 4.226 3.960 -0.000 0.000 0.668 98 G C -0.410 174.458 174.900 -0.053 0.000 1.320 98 G CA 0.036 45.106 45.100 -0.050 0.000 0.860 98 G HN 1.501 nan 8.290 nan 0.000 0.538 99 V N 0.193 120.068 119.914 -0.065 0.000 2.398 99 V HA 0.582 4.702 4.120 -0.000 0.000 0.286 99 V C 0.591 176.664 176.094 -0.034 0.000 1.026 99 V CA -0.647 61.588 62.300 -0.109 0.000 0.868 99 V CB 1.424 33.079 31.823 -0.280 0.000 0.982 99 V HN 0.870 nan 8.190 nan 0.000 0.443 100 V N 6.756 126.655 119.914 -0.025 0.000 2.435 100 V HA 0.692 4.812 4.120 -0.000 0.000 0.290 100 V C -0.028 176.063 176.094 -0.006 0.000 1.030 100 V CA -0.676 61.621 62.300 -0.005 0.000 0.881 100 V CB 1.765 33.590 31.823 0.002 0.000 0.983 100 V HN 0.785 nan 8.190 nan 0.000 0.445 101 R N 2.837 123.335 120.500 -0.003 0.000 2.740 101 R HA 0.605 4.945 4.340 -0.000 0.000 0.273 101 R C -1.570 174.730 176.300 0.000 0.000 0.998 101 R CA -0.760 55.336 56.100 -0.006 0.000 0.900 101 R CB 2.337 32.625 30.300 -0.019 0.000 1.223 101 R HN 0.417 nan 8.270 nan 0.000 0.466 102 V N 4.058 123.972 119.914 0.000 0.000 2.333 102 V HA 0.444 4.564 4.120 -0.000 0.000 0.274 102 V C -0.007 176.087 176.094 0.000 0.000 1.028 102 V CA -0.628 61.675 62.300 0.004 0.000 0.851 102 V CB 0.940 32.767 31.823 0.006 0.000 1.000 102 V HN 0.592 nan 8.190 nan 0.000 0.456 103 L N 3.692 124.917 121.223 0.003 0.000 2.422 103 L HA 1.049 5.389 4.340 -0.000 0.000 0.264 103 L C 0.458 177.335 176.870 0.013 0.000 0.984 103 L CA 0.096 54.937 54.840 0.001 0.000 0.819 103 L CB 1.949 44.001 42.059 -0.011 0.000 1.330 103 L HN 0.812 nan 8.230 nan 0.000 0.410 104 G N 2.336 111.147 108.800 0.018 0.000 2.614 104 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.303 104 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.303 104 G C 0.683 175.601 174.900 0.030 0.000 1.270 104 G CA 0.514 45.633 45.100 0.032 0.000 0.988 104 G HN 1.573 nan 8.290 nan 0.000 0.551 105 G N 0.028 108.850 108.800 0.036 0.000 2.813 105 G HA2 0.314 4.274 3.960 -0.000 0.000 0.209 105 G HA3 0.314 4.274 3.960 -0.000 0.000 0.209 105 G C 0.887 175.805 174.900 0.031 0.000 1.150 105 G CA 0.858 45.978 45.100 0.034 0.000 0.785 105 G HN 0.706 nan 8.290 nan 0.000 0.535 106 R N 0.258 120.775 120.500 0.030 0.000 2.404 106 R HA 0.389 4.729 4.340 -0.000 0.000 0.291 106 R C -0.151 176.164 176.300 0.025 0.000 1.025 106 R CA -0.730 55.389 56.100 0.031 0.000 0.991 106 R CB 1.396 31.713 30.300 0.029 0.000 1.053 106 R HN 0.003 nan 8.270 nan 0.000 0.479 107 R N 2.540 123.058 120.500 0.029 0.000 2.216 107 R HA 0.211 4.551 4.340 -0.000 0.000 0.332 107 R C -1.045 175.274 176.300 0.031 0.000 1.056 107 R CA -0.251 55.864 56.100 0.026 0.000 0.901 107 R CB 0.668 30.983 30.300 0.026 0.000 1.039 107 R HN 0.337 nan 8.270 nan 0.000 0.456 108 V N 5.565 125.494 119.914 0.024 0.000 2.417 108 V HA 0.423 4.543 4.120 -0.000 0.000 0.291 108 V C -0.038 176.076 176.094 0.033 0.000 1.024 108 V CA -0.818 61.500 62.300 0.029 0.000 0.861 108 V CB 1.588 33.421 31.823 0.017 0.000 0.985 108 V HN 0.697 nan 8.190 nan 0.000 0.436 109 R N 3.216 123.743 120.500 0.044 0.000 2.310 109 R HA 0.423 4.763 4.340 -0.000 0.000 0.324 109 R C -1.665 174.677 176.300 0.070 0.000 0.955 109 R CA -0.641 55.486 56.100 0.044 0.000 0.830 109 R CB 1.015 31.334 30.300 0.031 0.000 1.154 109 R HN 0.734 nan 8.270 nan 0.000 0.458 110 Y N 4.634 124.887 120.300 -0.078 0.000 2.367 110 Y HA 0.209 4.759 4.550 -0.000 0.000 0.342 110 Y C -0.021 175.823 175.900 -0.093 0.000 0.979 110 Y CA -0.240 57.802 58.100 -0.095 0.000 1.161 110 Y CB 0.971 39.354 38.460 -0.129 0.000 1.155 110 Y HN 0.694 nan 8.280 nan 0.000 0.503 111 T N 3.463 117.761 114.554 -0.427 0.000 2.862 111 T HA 0.514 4.864 4.350 -0.000 0.000 0.276 111 T C 0.261 174.682 174.700 -0.466 0.000 0.974 111 T CA -0.912 60.991 62.100 -0.328 0.000 0.966 111 T CB 0.791 69.541 68.868 -0.196 0.000 1.072 111 T HN 0.715 nan 8.240 nan 0.000 0.538 112 R N 1.385 121.750 120.500 -0.225 0.000 2.784 112 R HA 0.282 4.622 4.340 -0.000 0.000 0.266 112 R C -2.159 174.054 176.300 -0.145 0.000 1.044 112 R CA -1.323 54.686 56.100 -0.152 0.000 1.151 112 R CB -0.124 30.158 30.300 -0.029 0.000 1.037 112 R HN 0.553 nan 8.270 nan 0.000 0.478 113 P HA -0.044 nan 4.420 nan 0.000 0.274 113 P C 0.508 177.845 177.300 0.062 0.000 1.231 113 P CA -0.302 62.790 63.100 -0.012 0.000 0.790 113 P CB 0.518 32.243 31.700 0.042 0.000 0.951 114 L N 3.179 124.441 121.223 0.065 0.000 2.034 114 L HA -0.184 4.156 4.340 -0.000 0.000 0.217 114 L C 2.305 179.258 176.870 0.139 0.000 1.077 114 L CA 2.898 57.778 54.840 0.066 0.000 0.769 114 L CB -1.811 40.264 42.059 0.025 0.000 0.890 114 L HN 0.568 nan 8.230 nan 0.000 0.435 115 G N -1.686 107.212 108.800 0.164 0.000 2.470 115 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.220 115 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.220 115 G C 1.482 176.656 174.900 0.457 0.000 1.121 115 G CA 0.677 45.971 45.100 0.324 0.000 0.766 115 G HN 0.690 nan 8.290 nan 0.000 0.553 116 A N -0.500 122.495 122.820 0.291 0.000 2.123 116 A HA 0.197 4.517 4.320 -0.000 0.000 0.214 116 A C 1.029 178.779 177.584 0.277 0.000 1.152 116 A CA 0.136 52.317 52.037 0.240 0.000 0.728 116 A CB -0.316 18.759 19.000 0.126 0.000 0.814 116 A HN 0.474 nan 8.150 nan 0.000 0.464 117 H N 0.544 119.727 119.070 0.188 0.000 2.722 117 H HA 0.238 4.794 4.556 -0.000 0.000 0.328 117 H C -1.475 173.965 175.328 0.187 0.000 1.067 117 H CA -1.345 54.786 56.048 0.138 0.000 1.447 117 H CB 1.179 30.981 29.762 0.066 0.000 1.469 117 H HN 0.020 nan 8.280 nan 0.000 0.544 118 P HA -0.120 nan 4.420 nan 0.000 0.221 118 P C 1.356 178.663 177.300 0.012 0.000 1.145 118 P CA 1.455 64.537 63.100 -0.030 0.000 0.795 118 P CB -0.028 31.593 31.700 -0.131 0.000 0.775 119 G N -0.157 108.747 108.800 0.173 0.000 2.516 119 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.221 119 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.221 119 G C 1.444 176.383 174.900 0.064 0.000 1.107 119 G CA 0.557 45.787 45.100 0.216 0.000 0.747 119 G HN 0.120 nan 8.290 nan 0.000 0.567 120 M N 0.980 120.557 119.600 -0.040 0.000 2.229 120 M HA 0.086 4.566 4.480 -0.000 0.000 0.264 120 M C 2.950 179.132 176.300 -0.198 0.000 1.063 120 M CA 0.890 56.098 55.300 -0.152 0.000 1.114 120 M CB -1.124 31.324 32.600 -0.253 0.000 1.387 120 M HN 0.327 nan 8.290 nan 0.000 0.420 121 A N 0.633 123.311 122.820 -0.237 0.000 1.917 121 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 121 A C 1.876 179.446 177.584 -0.024 0.000 1.182 121 A CA 2.040 54.025 52.037 -0.086 0.000 0.633 121 A CB -0.758 18.241 19.000 -0.002 0.000 0.819 121 A HN 0.471 nan 8.150 nan 0.000 0.448 122 D N 0.030 120.427 120.400 -0.006 0.000 2.117 122 D HA -0.075 4.565 4.640 -0.000 0.000 0.197 122 D C 2.248 178.541 176.300 -0.011 0.000 0.987 122 D CA 1.493 55.501 54.000 0.012 0.000 0.829 122 D CB -0.386 40.432 40.800 0.030 0.000 0.961 122 D HN 0.467 nan 8.370 nan 0.000 0.460 123 A N 1.030 123.837 122.820 -0.021 0.000 1.898 123 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 123 A C 2.375 179.872 177.584 -0.145 0.000 1.181 123 A CA 0.763 52.766 52.037 -0.057 0.000 0.620 123 A CB -0.661 18.339 19.000 0.001 0.000 0.819 123 A HN 0.135 nan 8.150 nan 0.000 0.442 124 I N -0.184 120.339 120.570 -0.078 0.000 2.113 124 I HA -0.306 3.863 4.170 -0.000 0.000 0.238 124 I C 3.024 179.076 176.117 -0.109 0.000 1.070 124 I CA 1.169 62.419 61.300 -0.083 0.000 1.332 124 I CB -0.430 37.536 38.000 -0.056 0.000 1.044 124 I HN 0.353 nan 8.210 nan 0.000 0.402 125 A N 0.711 123.511 122.820 -0.034 0.000 1.917 125 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 125 A C 2.497 180.110 177.584 0.049 0.000 1.182 125 A CA 2.309 54.407 52.037 0.101 0.000 0.633 125 A CB -0.959 18.161 19.000 0.201 0.000 0.819 125 A HN 0.493 nan 8.150 nan 0.000 0.448 126 A N -1.278 121.493 122.820 -0.082 0.000 1.898 126 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 126 A C 2.149 179.575 177.584 -0.263 0.000 1.181 126 A CA 2.055 54.010 52.037 -0.137 0.000 0.620 126 A CB -0.522 18.389 19.000 -0.148 0.000 0.819 126 A HN 0.529 nan 8.150 nan 0.000 0.442 127 Q N 0.205 119.694 119.800 -0.519 0.000 2.096 127 Q HA -0.085 4.254 4.340 -0.000 0.000 0.204 127 Q C 2.013 177.950 176.000 -0.106 0.000 0.982 127 Q CA 2.318 57.916 55.803 -0.341 0.000 0.850 127 Q CB -0.704 27.855 28.738 -0.298 0.000 0.901 127 Q HN 0.548 nan 8.270 nan 0.000 0.422 128 A N 0.536 123.303 122.820 -0.089 0.000 1.883 128 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 128 A C 2.155 179.780 177.584 0.067 0.000 1.186 128 A CA 1.722 53.734 52.037 -0.042 0.000 0.624 128 A CB -0.550 18.360 19.000 -0.149 0.000 0.822 128 A HN 0.440 nan 8.150 nan 0.000 0.444 129 R N -0.481 120.091 120.500 0.120 0.000 2.096 129 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 129 R C 1.431 177.757 176.300 0.043 0.000 1.127 129 R CA 1.437 57.596 56.100 0.097 0.000 0.968 129 R CB -0.417 29.929 30.300 0.076 0.000 0.861 129 R HN 0.462 nan 8.270 nan 0.000 0.440 130 D N -0.496 119.932 120.400 0.046 0.000 2.264 130 D HA -0.077 4.563 4.640 -0.000 0.000 0.208 130 D C 1.506 177.818 176.300 0.021 0.000 0.966 130 D CA 1.177 55.209 54.000 0.053 0.000 0.864 130 D CB -0.094 40.781 40.800 0.125 0.000 0.933 130 D HN 0.146 nan 8.370 nan 0.000 0.499 131 T N 0.602 115.160 114.554 0.006 0.000 3.014 131 T HA 0.087 4.437 4.350 -0.000 0.000 0.263 131 T C 1.124 175.778 174.700 -0.076 0.000 1.078 131 T CA -0.005 62.087 62.100 -0.013 0.000 1.135 131 T CB 0.161 69.025 68.868 -0.006 0.000 0.895 131 T HN 0.063 nan 8.240 nan 0.000 0.480 132 L N 2.193 123.354 121.223 -0.103 0.000 2.483 132 L HA 0.203 4.543 4.340 -0.000 0.000 0.275 132 L C -2.249 174.489 176.870 -0.221 0.000 1.220 132 L CA -1.956 52.738 54.840 -0.244 0.000 0.833 132 L CB -0.401 41.580 42.059 -0.131 0.000 1.102 132 L HN -0.078 nan 8.230 nan 0.000 0.490 133 P HA 0.009 nan 4.420 nan 0.000 0.267 133 P C 0.019 177.261 177.300 -0.097 0.000 1.209 133 P CA -0.011 62.996 63.100 -0.156 0.000 0.763 133 P CB 0.674 32.292 31.700 -0.137 0.000 0.816 134 E N 2.585 122.751 120.200 -0.058 0.000 2.409 134 E HA -0.063 4.287 4.350 -0.000 0.000 0.198 134 E C 2.086 178.666 176.600 -0.034 0.000 1.024 134 E CA 1.207 57.583 56.400 -0.041 0.000 0.861 134 E CB -0.867 28.818 29.700 -0.025 0.000 0.788 134 E HN 0.615 nan 8.360 nan 0.000 0.521 135 G N -0.580 108.201 108.800 -0.033 0.000 2.443 135 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.219 135 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.219 135 G C 0.862 175.744 174.900 -0.029 0.000 1.131 135 G CA 0.723 45.807 45.100 -0.026 0.000 0.775 135 G HN 0.212 nan 8.290 nan 0.000 0.547 136 T N 1.032 115.561 114.554 -0.041 0.000 2.926 136 T HA 0.194 4.544 4.350 -0.000 0.000 0.307 136 T C -0.363 174.318 174.700 -0.031 0.000 1.059 136 T CA 0.011 62.090 62.100 -0.035 0.000 1.122 136 T CB 1.317 70.150 68.868 -0.058 0.000 0.972 136 T HN 0.147 nan 8.240 nan 0.000 0.545 137 D N 2.865 123.251 120.400 -0.023 0.000 2.329 137 D HA 0.212 4.852 4.640 -0.000 0.000 0.232 137 D C -1.658 174.615 176.300 -0.044 0.000 1.088 137 D CA -2.339 51.637 54.000 -0.040 0.000 0.835 137 D CB 1.756 42.537 40.800 -0.032 0.000 1.078 137 D HN 0.095 nan 8.370 nan 0.000 0.495 138 P HA -0.199 nan 4.420 nan 0.000 0.218 138 P C 0.978 178.206 177.300 -0.121 0.000 1.152 138 P CA 1.426 64.416 63.100 -0.182 0.000 0.857 138 P CB 0.202 31.578 31.700 -0.541 0.000 0.787 139 A N -0.747 122.004 122.820 -0.115 0.000 2.121 139 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 139 A C 1.609 179.200 177.584 0.012 0.000 1.154 139 A CA 1.500 53.506 52.037 -0.053 0.000 0.679 139 A CB -1.021 17.945 19.000 -0.058 0.000 0.795 139 A HN 0.100 nan 8.150 nan 0.000 0.458 140 D N -0.659 119.754 120.400 0.021 0.000 2.363 140 D HA 0.121 4.761 4.640 -0.000 0.000 0.226 140 D C -0.055 176.297 176.300 0.088 0.000 1.020 140 D CA 0.535 54.564 54.000 0.049 0.000 0.892 140 D CB 0.232 41.056 40.800 0.041 0.000 0.900 140 D HN 0.181 nan 8.370 nan 0.000 0.531 141 V N 0.688 120.680 119.914 0.131 0.000 2.540 141 V HA 0.252 4.372 4.120 -0.000 0.000 0.302 141 V C 0.297 176.505 176.094 0.190 0.000 1.035 141 V CA -0.776 61.630 62.300 0.176 0.000 0.873 141 V CB 2.141 34.105 31.823 0.235 0.000 0.992 141 V HN -0.151 nan 8.190 nan 0.000 0.428 142 T N 5.906 120.522 114.554 0.104 0.000 2.856 142 T HA 0.418 4.768 4.350 -0.000 0.000 0.292 142 T C -0.228 174.443 174.700 -0.049 0.000 0.980 142 T CA -0.151 61.980 62.100 0.052 0.000 1.091 142 T CB 0.911 69.807 68.868 0.047 0.000 0.936 142 T HN 0.443 nan 8.240 nan 0.000 0.503 143 L N 4.771 125.909 121.223 -0.142 0.000 2.257 143 L HA 0.406 4.746 4.340 -0.000 0.000 0.290 143 L C -1.312 175.428 176.870 -0.218 0.000 1.044 143 L CA -0.846 53.794 54.840 -0.332 0.000 0.810 143 L CB 0.574 42.282 42.059 -0.584 0.000 1.193 143 L HN 0.369 nan 8.230 nan 0.000 0.425 144 L N 6.117 127.213 121.223 -0.211 0.000 2.307 144 L HA 0.509 4.849 4.340 -0.000 0.000 0.284 144 L C -0.305 176.470 176.870 -0.158 0.000 1.023 144 L CA -0.274 54.467 54.840 -0.165 0.000 0.810 144 L CB 1.713 43.654 42.059 -0.195 0.000 1.231 144 L HN 0.470 nan 8.230 nan 0.000 0.423 145 L N 4.641 125.793 121.223 -0.119 0.000 2.319 145 L HA 0.433 4.773 4.340 -0.000 0.000 0.281 145 L C -0.585 176.254 176.870 -0.052 0.000 1.005 145 L CA -0.790 53.994 54.840 -0.094 0.000 0.828 145 L CB 1.767 43.751 42.059 -0.125 0.000 1.227 145 L HN 0.335 nan 8.230 nan 0.000 0.415 146 L N 3.933 125.143 121.223 -0.022 0.000 2.278 146 L HA 0.587 4.927 4.340 -0.000 0.000 0.287 146 L C 0.324 177.228 176.870 0.056 0.000 1.072 146 L CA 0.189 55.029 54.840 0.000 0.000 0.819 146 L CB 0.960 43.008 42.059 -0.019 0.000 1.176 146 L HN 0.674 nan 8.230 nan 0.000 0.435 147 A N 4.162 127.011 122.820 0.050 0.000 2.304 147 A HA 0.709 5.029 4.320 -0.000 0.000 0.301 147 A C 1.024 178.640 177.584 0.054 0.000 1.132 147 A CA 0.051 52.139 52.037 0.085 0.000 0.819 147 A CB 1.012 20.054 19.000 0.070 0.000 1.094 147 A HN 1.032 nan 8.150 nan 0.000 0.492 148 A N 1.861 124.716 122.820 0.058 0.000 1.897 148 A HA 0.137 4.457 4.320 -0.000 0.000 0.215 148 A C 1.297 178.898 177.584 0.029 0.000 1.181 148 A CA 1.113 53.165 52.037 0.024 0.000 0.620 148 A CB -0.034 18.972 19.000 0.011 0.000 0.821 148 A HN 0.776 nan 8.150 nan 0.000 0.443 149 R N -1.784 118.744 120.500 0.047 0.000 2.808 149 R HA 0.339 4.679 4.340 -0.000 0.000 0.272 149 R C -2.004 174.323 176.300 0.044 0.000 0.995 149 R CA -1.637 54.490 56.100 0.044 0.000 0.917 149 R CB 1.479 31.811 30.300 0.054 0.000 1.217 149 R HN 0.027 nan 8.270 nan 0.000 0.471 150 P HA -0.131 nan 4.420 nan 0.000 0.215 150 P C 0.711 178.026 177.300 0.026 0.000 1.153 150 P CA 1.289 64.405 63.100 0.026 0.000 0.853 150 P CB 0.140 31.853 31.700 0.021 0.000 0.788 151 G N 0.291 109.111 108.800 0.033 0.000 3.782 151 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.288 151 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.288 151 G C 0.300 175.222 174.900 0.037 0.000 1.300 151 G CA -0.241 44.876 45.100 0.029 0.000 1.261 151 G HN 0.147 nan 8.290 nan 0.000 0.591 152 N N 1.546 120.270 118.700 0.041 0.000 2.895 152 N HA 0.224 4.964 4.740 -0.000 0.000 0.277 152 N C 1.612 177.122 175.510 -0.001 0.000 1.185 152 N CA 0.195 53.278 53.050 0.054 0.000 1.106 152 N CB 0.792 39.340 38.487 0.101 0.000 1.422 152 N HN 0.195 nan 8.380 nan 0.000 0.521 153 A N 2.429 125.247 122.820 -0.003 0.000 1.978 153 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 153 A C 2.153 179.683 177.584 -0.090 0.000 1.170 153 A CA 1.809 53.823 52.037 -0.039 0.000 0.636 153 A CB -0.396 18.592 19.000 -0.020 0.000 0.810 153 A HN 0.592 nan 8.150 nan 0.000 0.448 154 A N -0.550 122.232 122.820 -0.064 0.000 1.898 154 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 154 A C 2.100 179.473 177.584 -0.352 0.000 1.181 154 A CA 1.634 53.577 52.037 -0.156 0.000 0.620 154 A CB -0.558 18.468 19.000 0.043 0.000 0.819 154 A HN 0.721 nan 8.150 nan 0.000 0.442 155 L N -0.004 121.069 121.223 -0.249 0.000 2.083 155 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 155 L C 2.129 178.815 176.870 -0.308 0.000 1.083 155 L CA 2.159 56.732 54.840 -0.444 0.000 0.752 155 L CB -0.614 41.124 42.059 -0.535 0.000 0.899 155 L HN 0.373 nan 8.230 nan 0.000 0.433 156 E N -0.609 119.464 120.200 -0.212 0.000 2.118 156 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 156 E C 2.063 178.559 176.600 -0.173 0.000 0.992 156 E CA 1.824 58.132 56.400 -0.154 0.000 0.804 156 E CB -0.605 29.032 29.700 -0.104 0.000 0.741 156 E HN 0.552 nan 8.360 nan 0.000 0.458 157 T N 0.454 114.857 114.554 -0.252 0.000 2.684 157 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 157 T C 1.688 176.245 174.700 -0.239 0.000 1.036 157 T CA 1.709 63.651 62.100 -0.263 0.000 1.148 157 T CB -0.422 68.252 68.868 -0.323 0.000 0.863 157 T HN 0.407 nan 8.240 nan 0.000 0.436 158 H N 0.863 119.861 119.070 -0.119 0.000 2.387 158 H HA 0.128 4.684 4.556 -0.000 0.000 0.299 158 H C 2.559 177.818 175.328 -0.116 0.000 1.090 158 H CA 0.900 56.875 56.048 -0.121 0.000 1.332 158 H CB -0.207 29.445 29.762 -0.182 0.000 1.386 158 H HN 0.372 nan 8.280 nan 0.000 0.516 159 A N 0.874 123.666 122.820 -0.047 0.000 1.908 159 A HA -0.297 4.022 4.320 -0.000 0.000 0.218 159 A C 2.263 179.827 177.584 -0.033 0.000 1.181 159 A CA 2.002 54.002 52.037 -0.061 0.000 0.627 159 A CB -0.488 18.457 19.000 -0.091 0.000 0.818 159 A HN 0.367 nan 8.150 nan 0.000 0.445 160 Q N -0.258 119.519 119.800 -0.038 0.000 2.119 160 Q HA 0.058 4.398 4.340 -0.000 0.000 0.201 160 Q C 2.000 177.999 176.000 -0.002 0.000 0.972 160 Q CA 1.954 57.744 55.803 -0.023 0.000 0.847 160 Q CB -0.623 28.095 28.738 -0.034 0.000 0.903 160 Q HN 0.540 nan 8.270 nan 0.000 0.433 161 A N -0.032 122.793 122.820 0.009 0.000 1.972 161 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 161 A C 2.000 179.608 177.584 0.039 0.000 1.169 161 A CA 1.323 53.376 52.037 0.027 0.000 0.635 161 A CB -0.606 18.424 19.000 0.050 0.000 0.810 161 A HN 0.452 nan 8.150 nan 0.000 0.446 162 L N -1.467 119.782 121.223 0.043 0.000 2.240 162 L HA -0.050 4.290 4.340 -0.000 0.000 0.211 162 L C 2.730 179.650 176.870 0.083 0.000 1.106 162 L CA 0.617 55.499 54.840 0.070 0.000 0.793 162 L CB -0.293 41.797 42.059 0.053 0.000 0.927 162 L HN 0.321 nan 8.230 nan 0.000 0.446 163 R N 0.083 120.612 120.500 0.049 0.000 2.070 163 R HA -0.147 4.192 4.340 -0.000 0.000 0.233 163 R C 2.195 178.519 176.300 0.040 0.000 1.137 163 R CA 1.550 57.677 56.100 0.046 0.000 0.945 163 R CB -0.292 30.021 30.300 0.022 0.000 0.845 163 R HN 0.424 nan 8.270 nan 0.000 0.430 164 E N 0.690 120.907 120.200 0.028 0.000 2.051 164 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 164 E C 2.089 178.703 176.600 0.022 0.000 0.991 164 E CA 1.104 57.516 56.400 0.020 0.000 0.799 164 E CB -0.256 29.452 29.700 0.013 0.000 0.748 164 E HN 0.304 nan 8.360 nan 0.000 0.449 165 R N -0.051 120.468 120.500 0.031 0.000 2.119 165 R HA -0.157 4.183 4.340 -0.000 0.000 0.246 165 R C 1.851 178.160 176.300 0.014 0.000 1.146 165 R CA 1.414 57.529 56.100 0.026 0.000 0.962 165 R CB -0.547 29.779 30.300 0.043 0.000 0.863 165 R HN 0.438 nan 8.270 nan 0.000 0.442 166 G N -0.142 108.680 108.800 0.036 0.000 2.162 166 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.260 166 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.260 166 G C 0.657 175.537 174.900 -0.034 0.000 0.976 166 G CA 0.591 45.703 45.100 0.019 0.000 0.655 166 G HN 0.478 nan 8.290 nan 0.000 0.533 167 Q N -1.349 118.395 119.800 -0.094 0.000 2.364 167 Q HA 0.132 4.472 4.340 -0.000 0.000 0.209 167 Q C 0.359 176.050 176.000 -0.515 0.000 0.977 167 Q CA 0.724 56.326 55.803 -0.335 0.000 0.885 167 Q CB -0.023 28.417 28.738 -0.497 0.000 0.941 167 Q HN 0.603 nan 8.270 nan 0.000 0.464 168 F N -2.651 117.293 119.950 -0.010 0.000 2.575 168 F HA 0.430 4.957 4.527 -0.000 0.000 0.330 168 F C 0.934 176.732 175.800 -0.004 0.000 1.056 168 F CA -0.500 57.495 58.000 -0.008 0.000 0.964 168 F CB 0.915 39.908 39.000 -0.013 0.000 1.258 168 F HN -0.205 nan 8.300 nan 0.000 0.484 169 A N 1.064 124.002 122.820 0.196 0.000 1.933 169 A HA 0.374 4.694 4.320 -0.000 0.000 0.218 169 A C 1.003 178.645 177.584 0.097 0.000 1.175 169 A CA 1.755 53.858 52.037 0.110 0.000 0.628 169 A CB -0.837 18.221 19.000 0.096 0.000 0.814 169 A HN 0.990 nan 8.150 nan 0.000 0.444 170 G N -3.474 105.393 108.800 0.111 0.000 2.550 170 G HA2 0.488 4.447 3.960 -0.000 0.000 0.293 170 G HA3 0.488 4.447 3.960 -0.000 0.000 0.293 170 G C -1.805 173.119 174.900 0.039 0.000 1.402 170 G CA 0.090 45.231 45.100 0.069 0.000 0.784 170 G HN 0.560 nan 8.290 nan 0.000 0.482 171 V N 0.877 120.796 119.914 0.008 0.000 2.569 171 V HA 0.655 4.774 4.120 -0.000 0.000 0.301 171 V C -1.209 174.863 176.094 -0.037 0.000 1.044 171 V CA -0.877 61.400 62.300 -0.038 0.000 0.874 171 V CB 1.609 33.406 31.823 -0.042 0.000 1.002 171 V HN 0.701 nan 8.190 nan 0.000 0.424 172 E N 2.953 123.123 120.200 -0.051 0.000 2.293 172 E HA 0.569 4.919 4.350 -0.000 0.000 0.270 172 E C -1.087 175.481 176.600 -0.054 0.000 0.879 172 E CA -0.719 55.658 56.400 -0.038 0.000 0.756 172 E CB 2.952 32.644 29.700 -0.012 0.000 1.208 172 E HN 0.357 nan 8.360 nan 0.000 0.428 173 V N 2.088 121.973 119.914 -0.047 0.000 2.546 173 V HA 0.383 4.503 4.120 -0.000 0.000 0.284 173 V C 0.411 176.493 176.094 -0.020 0.000 1.050 173 V CA -0.563 61.708 62.300 -0.048 0.000 0.981 173 V CB 1.170 32.960 31.823 -0.055 0.000 0.990 173 V HN 0.517 nan 8.190 nan 0.000 0.474 174 V N 3.357 123.263 119.914 -0.013 0.000 3.102 174 V HA 0.690 4.810 4.120 -0.000 0.000 0.312 174 V C -0.807 175.294 176.094 0.013 0.000 1.135 174 V CA -0.981 61.326 62.300 0.012 0.000 1.022 174 V CB 2.230 34.073 31.823 0.034 0.000 1.056 174 V HN 0.606 nan 8.190 nan 0.000 0.436 175 L N 1.165 122.402 121.223 0.024 0.000 2.334 175 L HA 0.571 4.911 4.340 -0.000 0.000 0.276 175 L C 0.478 177.361 176.870 0.023 0.000 1.014 175 L CA -0.558 54.296 54.840 0.023 0.000 0.815 175 L CB 1.851 43.924 42.059 0.024 0.000 1.268 175 L HN 0.796 nan 8.230 nan 0.000 0.428 176 E N 1.109 121.319 120.200 0.016 0.000 2.467 176 E HA -0.006 4.344 4.350 -0.000 0.000 0.264 176 E C -0.043 176.565 176.600 0.014 0.000 1.020 176 E CA -0.091 56.314 56.400 0.009 0.000 0.945 176 E CB 0.689 30.388 29.700 -0.002 0.000 0.942 176 E HN 0.615 nan 8.360 nan 0.000 0.449 177 S N 3.388 119.097 115.700 0.014 0.000 2.549 177 S HA 0.083 4.553 4.470 -0.000 0.000 0.286 177 S C 0.191 174.795 174.600 0.007 0.000 1.314 177 S CA -0.698 57.511 58.200 0.015 0.000 1.062 177 S CB 0.584 63.793 63.200 0.016 0.000 0.865 177 S HN 0.352 nan 8.310 nan 0.000 0.498 178 R N 1.874 122.379 120.500 0.008 0.000 2.861 178 R HA 0.335 4.675 4.340 -0.000 0.000 0.268 178 R C 0.392 176.689 176.300 -0.004 0.000 1.027 178 R CA -0.185 55.918 56.100 0.004 0.000 1.163 178 R CB -0.108 30.196 30.300 0.006 0.000 1.060 178 R HN 0.908 nan 8.270 nan 0.000 0.483 190 A N 1.735 124.558 122.820 0.006 0.000 2.332 190 A HA 0.762 5.082 4.320 -0.000 0.000 0.258 190 A C 0.686 178.279 177.584 0.016 0.000 1.087 190 A CA -0.012 52.029 52.037 0.006 0.000 0.802 190 A CB 0.477 19.477 19.000 0.000 0.000 1.042 190 A HN 1.610 nan 8.150 nan 0.000 0.489 191 V N -0.950 118.977 119.914 0.021 0.000 2.743 191 V HA 0.628 4.748 4.120 -0.000 0.000 0.301 191 V C -2.700 173.418 176.094 0.040 0.000 1.057 191 V CA -2.276 60.043 62.300 0.031 0.000 1.006 191 V CB 0.821 32.663 31.823 0.032 0.000 1.024 191 V HN 0.705 nan 8.190 nan 0.000 0.473 192 P HA 0.145 nan 4.420 nan 0.000 0.270 192 P C 0.641 177.989 177.300 0.080 0.000 1.223 192 P CA -0.355 62.778 63.100 0.054 0.000 0.785 192 P CB 0.565 32.297 31.700 0.053 0.000 0.923 193 L N 2.647 123.922 121.223 0.087 0.000 2.127 193 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 193 L C 1.960 178.963 176.870 0.221 0.000 1.089 193 L CA 2.370 57.296 54.840 0.143 0.000 0.757 193 L CB -1.508 40.603 42.059 0.088 0.000 0.899 193 L HN 0.419 nan 8.230 nan 0.000 0.434 194 S N -1.758 114.029 115.700 0.145 0.000 2.547 194 S HA -0.064 4.406 4.470 -0.000 0.000 0.235 194 S C 1.288 175.959 174.600 0.118 0.000 0.980 194 S CA 0.875 59.156 58.200 0.136 0.000 0.941 194 S CB -0.446 62.813 63.200 0.098 0.000 0.763 194 S HN 0.588 nan 8.310 nan 0.000 0.532 195 E N 0.658 120.907 120.200 0.083 0.000 2.624 195 E HA 0.099 4.449 4.350 -0.000 0.000 0.210 195 E C 1.150 177.590 176.600 -0.266 0.000 0.997 195 E CA -0.187 56.226 56.400 0.022 0.000 0.999 195 E CB -0.222 29.539 29.700 0.103 0.000 1.040 195 E HN 0.868 nan 8.360 nan 0.000 0.469 196 W N 1.141 122.300 121.300 -0.236 0.000 2.342 196 W HA -0.041 4.618 4.660 -0.000 0.000 0.297 196 W C -1.374 174.917 176.519 -0.381 0.000 1.213 196 W CA 0.787 57.984 57.345 -0.247 0.000 1.251 196 W CB -1.932 27.429 29.460 -0.165 0.000 1.136 196 W HN 0.011 nan 8.180 nan 0.000 0.526 197 P HA -0.169 nan 4.420 nan 0.000 0.225 197 P C 2.108 178.965 177.300 -0.738 0.000 1.148 197 P CA 2.871 65.228 63.100 -1.238 0.000 0.779 197 P CB -0.364 30.282 31.700 -1.756 0.000 0.780 198 S N -1.157 114.089 115.700 -0.758 0.000 2.500 198 S HA -0.081 4.389 4.470 -0.000 0.000 0.239 198 S C 1.588 176.131 174.600 -0.094 0.000 0.989 198 S CA 0.740 58.808 58.200 -0.221 0.000 0.951 198 S CB -0.615 62.562 63.200 -0.038 0.000 0.759 198 S HN -0.001 nan 8.310 nan 0.000 0.523 199 R N 0.427 120.875 120.500 -0.086 0.000 2.577 199 R HA 0.460 4.800 4.340 -0.000 0.000 0.344 199 R C -1.005 175.310 176.300 0.026 0.000 1.037 199 R CA -0.013 56.083 56.100 -0.007 0.000 1.102 199 R CB 0.845 31.154 30.300 0.016 0.000 1.313 199 R HN 0.329 nan 8.270 nan 0.000 0.561 200 V N 0.723 120.650 119.914 0.022 0.000 2.531 200 V HA 0.274 4.394 4.120 -0.000 0.000 0.301 200 V C 0.397 176.515 176.094 0.039 0.000 1.034 200 V CA -0.452 61.889 62.300 0.070 0.000 0.865 200 V CB 2.329 34.263 31.823 0.185 0.000 0.995 200 V HN 0.137 nan 8.190 nan 0.000 0.424 201 E N 2.385 122.611 120.200 0.043 0.000 2.511 201 E HA 0.411 4.761 4.350 -0.000 0.000 0.209 201 E C 0.777 177.403 176.600 0.044 0.000 0.986 201 E CA 0.128 56.549 56.400 0.035 0.000 0.974 201 E CB 1.217 30.934 29.700 0.028 0.000 1.030 201 E HN 0.815 nan 8.360 nan 0.000 0.490 202 A N 0.265 123.119 122.820 0.058 0.000 2.296 202 A HA 0.497 4.817 4.320 -0.000 0.000 0.264 202 A C 1.330 178.955 177.584 0.069 0.000 1.097 202 A CA 0.210 52.285 52.037 0.062 0.000 0.811 202 A CB 0.277 19.321 19.000 0.073 0.000 1.072 202 A HN 0.247 nan 8.150 nan 0.000 0.495 203 G N -1.330 107.509 108.800 0.065 0.000 2.920 203 G HA2 0.349 4.309 3.960 -0.000 0.000 0.208 203 G HA3 0.349 4.309 3.960 -0.000 0.000 0.208 203 G C 0.455 175.404 174.900 0.081 0.000 1.159 203 G CA 0.302 45.442 45.100 0.067 0.000 0.784 203 G HN 0.635 nan 8.290 nan 0.000 0.535 204 Q N -1.677 118.178 119.800 0.091 0.000 2.511 204 Q HA 0.654 4.994 4.340 -0.000 0.000 0.289 204 Q C -1.502 174.548 176.000 0.082 0.000 1.021 204 Q CA -0.853 55.006 55.803 0.094 0.000 0.785 204 Q CB 2.482 31.300 28.738 0.135 0.000 1.472 204 Q HN 0.154 nan 8.270 nan 0.000 0.411 205 A N 0.562 123.394 122.820 0.020 0.000 2.539 205 A HA 0.779 5.099 4.320 -0.000 0.000 0.296 205 A C -1.764 175.764 177.584 -0.094 0.000 1.073 205 A CA -0.563 51.435 52.037 -0.066 0.000 0.700 205 A CB 2.122 21.005 19.000 -0.194 0.000 1.296 205 A HN 0.345 nan 8.150 nan 0.000 0.405 206 V N 2.450 122.297 119.914 -0.112 0.000 2.531 206 V HA 0.670 4.790 4.120 -0.000 0.000 0.301 206 V C -1.509 174.459 176.094 -0.209 0.000 1.034 206 V CA -0.650 61.586 62.300 -0.106 0.000 0.865 206 V CB 1.401 33.207 31.823 -0.029 0.000 0.995 206 V HN 1.047 nan 8.190 nan 0.000 0.424 207 L N 7.712 128.804 121.223 -0.219 0.000 2.272 207 L HA 0.680 5.020 4.340 -0.000 0.000 0.289 207 L C -0.719 176.062 176.870 -0.149 0.000 1.032 207 L CA 0.221 54.926 54.840 -0.223 0.000 0.810 207 L CB 1.621 43.513 42.059 -0.278 0.000 1.205 207 L HN 0.491 nan 8.230 nan 0.000 0.422 208 V N 7.478 127.311 119.914 -0.136 0.000 2.313 208 V HA 0.401 4.521 4.120 -0.000 0.000 0.278 208 V C -2.161 173.911 176.094 -0.038 0.000 1.017 208 V CA -1.608 60.641 62.300 -0.086 0.000 0.823 208 V CB 1.289 33.053 31.823 -0.098 0.000 1.010 208 V HN 0.715 nan 8.190 nan 0.000 0.443 209 P HA 0.056 nan 4.420 nan 0.000 0.265 209 P C -0.364 176.977 177.300 0.068 0.000 1.222 209 P CA -0.026 63.076 63.100 0.003 0.000 0.767 209 P CB 0.071 31.749 31.700 -0.038 0.000 0.801 210 F N 6.113 126.027 119.950 -0.060 0.000 2.659 210 F HA 0.240 4.767 4.527 -0.000 0.000 0.360 210 F C -0.839 174.938 175.800 -0.038 0.000 1.218 210 F CA -0.040 57.937 58.000 -0.037 0.000 1.317 210 F CB -0.418 38.575 39.000 -0.010 0.000 1.697 210 F HN 0.086 nan 8.300 nan 0.000 0.637 211 L N 1.470 122.587 121.223 -0.176 0.000 2.388 211 L HA 0.302 4.642 4.340 -0.000 0.000 0.264 211 L C 1.415 178.153 176.870 -0.219 0.000 0.998 211 L CA -0.464 54.242 54.840 -0.224 0.000 0.817 211 L CB 1.694 43.634 42.059 -0.198 0.000 1.338 211 L HN 0.328 nan 8.230 nan 0.000 0.414 212 T N -2.234 112.207 114.554 -0.188 0.000 2.821 212 T HA 0.015 4.364 4.350 -0.000 0.000 0.267 212 T C 0.552 175.282 174.700 0.049 0.000 1.046 212 T CA 1.313 63.384 62.100 -0.048 0.000 1.139 212 T CB -0.288 68.611 68.868 0.051 0.000 0.871 212 T HN 0.689 nan 8.240 nan 0.000 0.454 213 H N -1.040 117.957 119.070 -0.122 0.000 2.960 213 H HA 0.711 5.267 4.556 -0.000 0.000 0.323 213 H C -2.032 173.235 175.328 -0.103 0.000 1.326 213 H CA -1.820 54.164 56.048 -0.107 0.000 1.124 213 H CB 1.210 30.901 29.762 -0.119 0.000 1.853 213 H HN 0.150 nan 8.280 nan 0.000 0.536 214 L N 1.706 122.875 121.223 -0.090 0.000 2.471 214 L HA 0.530 4.870 4.340 -0.000 0.000 0.263 214 L C 0.488 177.320 176.870 -0.063 0.000 0.985 214 L CA 0.072 54.830 54.840 -0.137 0.000 0.868 214 L CB 1.264 43.265 42.059 -0.097 0.000 1.203 214 L HN 1.041 nan 8.230 nan 0.000 0.429 215 G N 2.455 111.215 108.800 -0.067 0.000 2.684 215 G HA2 0.150 4.110 3.960 -0.000 0.000 0.255 215 G HA3 0.150 4.110 3.960 -0.000 0.000 0.255 215 G C 0.518 175.338 174.900 -0.134 0.000 1.219 215 G CA -0.346 44.681 45.100 -0.121 0.000 0.901 215 G HN 0.694 nan 8.290 nan 0.000 0.548 216 K N -0.963 119.314 120.400 -0.206 0.000 2.155 216 K HA -0.045 4.275 4.320 -0.000 0.000 0.203 216 K C 1.975 178.541 176.600 -0.057 0.000 1.052 216 K CA 0.964 57.163 56.287 -0.146 0.000 0.948 216 K CB -0.112 32.274 32.500 -0.191 0.000 0.728 216 K HN 0.668 nan 8.250 nan 0.000 0.448 217 H N 0.551 119.540 119.070 -0.135 0.000 2.253 217 H HA -0.111 4.445 4.556 -0.000 0.000 0.296 217 H C 2.228 177.508 175.328 -0.080 0.000 1.074 217 H CA 1.002 56.992 56.048 -0.098 0.000 1.263 217 H CB -0.031 29.670 29.762 -0.102 0.000 1.363 217 H HN 0.240 nan 8.280 nan 0.000 0.489 218 A N 1.088 123.935 122.820 0.045 0.000 2.024 218 A HA -0.174 4.145 4.320 -0.000 0.000 0.220 218 A C 2.485 180.054 177.584 -0.026 0.000 1.164 218 A CA 1.456 53.483 52.037 -0.016 0.000 0.643 218 A CB -0.828 18.136 19.000 -0.061 0.000 0.806 218 A HN 0.517 nan 8.150 nan 0.000 0.451 219 A N -0.463 122.340 122.820 -0.029 0.000 1.897 219 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 219 A C 1.983 179.560 177.584 -0.012 0.000 1.181 219 A CA 1.636 53.655 52.037 -0.029 0.000 0.620 219 A CB -0.472 18.505 19.000 -0.038 0.000 0.821 219 A HN 0.639 nan 8.150 nan 0.000 0.443 220 E N -0.086 120.115 120.200 0.001 0.000 2.077 220 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 220 E C 2.189 178.794 176.600 0.008 0.000 0.989 220 E CA 1.207 57.613 56.400 0.010 0.000 0.800 220 E CB -0.085 29.630 29.700 0.026 0.000 0.746 220 E HN 0.580 nan 8.360 nan 0.000 0.452 221 R N -0.025 120.478 120.500 0.005 0.000 2.115 221 R HA -0.118 4.221 4.340 -0.000 0.000 0.230 221 R C 2.436 178.739 176.300 0.006 0.000 1.111 221 R CA 0.947 57.048 56.100 0.001 0.000 0.976 221 R CB -0.326 29.969 30.300 -0.008 0.000 0.870 221 R HN 0.254 nan 8.270 nan 0.000 0.445 222 L N 1.045 122.267 121.223 -0.001 0.000 2.044 222 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 222 L C 1.959 178.835 176.870 0.010 0.000 1.075 222 L CA 1.783 56.622 54.840 -0.002 0.000 0.747 222 L CB -0.772 41.273 42.059 -0.022 0.000 0.903 222 L HN -0.005 nan 8.230 nan 0.000 0.435 223 Q N 0.309 120.113 119.800 0.007 0.000 2.096 223 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 223 Q C 2.153 178.172 176.000 0.032 0.000 0.982 223 Q CA 2.101 57.914 55.803 0.017 0.000 0.850 223 Q CB -0.448 28.296 28.738 0.011 0.000 0.901 223 Q HN 0.738 nan 8.270 nan 0.000 0.422 224 Q N -0.016 119.800 119.800 0.027 0.000 2.096 224 Q HA -0.103 4.237 4.340 -0.000 0.000 0.204 224 Q C 2.016 178.044 176.000 0.047 0.000 0.982 224 Q CA 1.568 57.389 55.803 0.031 0.000 0.850 224 Q CB -0.378 28.372 28.738 0.020 0.000 0.901 224 Q HN 0.346 nan 8.270 nan 0.000 0.422 225 A N 1.509 124.361 122.820 0.054 0.000 1.930 225 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 225 A C 2.211 179.873 177.584 0.130 0.000 1.175 225 A CA 0.816 52.901 52.037 0.081 0.000 0.627 225 A CB -0.599 18.447 19.000 0.077 0.000 0.815 225 A HN 0.264 nan 8.150 nan 0.000 0.443 226 L N -0.838 120.464 121.223 0.131 0.000 2.131 226 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 226 L C 3.040 180.009 176.870 0.166 0.000 1.092 226 L CA 0.961 55.917 54.840 0.195 0.000 0.759 226 L CB -0.519 41.613 42.059 0.122 0.000 0.903 226 L HN 0.463 nan 8.230 nan 0.000 0.435 227 A N -0.416 122.466 122.820 0.103 0.000 1.898 227 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 227 A C 2.210 179.837 177.584 0.071 0.000 1.181 227 A CA 1.247 53.330 52.037 0.076 0.000 0.620 227 A CB -0.330 18.700 19.000 0.051 0.000 0.819 227 A HN 0.432 nan 8.150 nan 0.000 0.442 228 Q N -0.498 119.345 119.800 0.073 0.000 2.046 228 Q HA -0.076 4.263 4.340 -0.000 0.000 0.200 228 Q C 2.456 178.509 176.000 0.088 0.000 0.975 228 Q CA 1.391 57.233 55.803 0.065 0.000 0.836 228 Q CB -0.423 28.352 28.738 0.062 0.000 0.896 228 Q HN 0.661 nan 8.270 nan 0.000 0.428 229 A N 1.276 124.165 122.820 0.115 0.000 1.892 229 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 229 A C 2.319 179.949 177.584 0.077 0.000 1.188 229 A CA 1.842 53.925 52.037 0.078 0.000 0.631 229 A CB -0.973 17.975 19.000 -0.087 0.000 0.822 229 A HN 0.422 nan 8.150 nan 0.000 0.447 230 A N -0.300 122.569 122.820 0.082 0.000 1.933 230 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 230 A C 1.912 179.523 177.584 0.045 0.000 1.175 230 A CA 1.670 53.747 52.037 0.067 0.000 0.628 230 A CB -0.485 18.569 19.000 0.089 0.000 0.814 230 A HN 0.687 nan 8.150 nan 0.000 0.444 231 E N -0.498 119.721 120.200 0.033 0.000 2.072 231 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 231 E C 2.214 178.783 176.600 -0.051 0.000 0.982 231 E CA 0.934 57.331 56.400 -0.005 0.000 0.803 231 E CB -0.176 29.518 29.700 -0.010 0.000 0.755 231 E HN 0.527 nan 8.360 nan 0.000 0.453 232 R N -0.187 120.274 120.500 -0.066 0.000 2.189 232 R HA -0.016 4.324 4.340 -0.000 0.000 0.223 232 R C 0.152 176.165 176.300 -0.478 0.000 1.092 232 R CA 0.761 56.700 56.100 -0.269 0.000 0.989 232 R CB 0.128 30.253 30.300 -0.291 0.000 0.876 232 R HN 0.076 nan 8.270 nan 0.000 0.457 233 F N -0.188 119.674 119.950 -0.147 0.000 2.646 233 F HA 0.277 4.804 4.527 -0.000 0.000 0.336 233 F C -1.772 173.938 175.800 -0.149 0.000 1.437 233 F CA -2.066 55.825 58.000 -0.182 0.000 1.142 233 F CB 1.778 40.589 39.000 -0.315 0.000 1.530 233 F HN -0.174 nan 8.300 nan 0.000 0.591 234 P HA -0.211 nan 4.420 nan 0.000 0.222 234 P C 1.246 178.555 177.300 0.016 0.000 1.147 234 P CA 1.250 64.355 63.100 0.009 0.000 0.790 234 P CB 0.241 31.933 31.700 -0.014 0.000 0.780 235 Q N -0.202 119.611 119.800 0.021 0.000 2.444 235 Q HA 0.134 4.474 4.340 -0.000 0.000 0.206 235 Q C 0.620 176.625 176.000 0.009 0.000 0.948 235 Q CA 0.025 55.840 55.803 0.019 0.000 0.946 235 Q CB -0.773 27.978 28.738 0.021 0.000 1.027 235 Q HN 0.028 nan 8.270 nan 0.000 0.513 236 A N 3.672 126.478 122.820 -0.023 0.000 2.555 236 A HA 0.323 4.643 4.320 -0.000 0.000 0.233 236 A C -1.826 175.779 177.584 0.034 0.000 1.060 236 A CA -0.763 51.206 52.037 -0.113 0.000 0.759 236 A CB -0.369 18.438 19.000 -0.321 0.000 0.995 236 A HN 0.340 nan 8.150 nan 0.000 0.506 237 P HA 0.365 nan 4.420 nan 0.000 0.275 237 P C -2.730 174.676 177.300 0.178 0.000 1.266 237 P CA -1.433 61.749 63.100 0.138 0.000 0.793 237 P CB -0.687 31.095 31.700 0.138 0.000 1.074 238 P HA 0.180 nan 4.420 nan 0.000 0.271 238 P C -0.810 176.360 177.300 -0.217 0.000 1.216 238 P CA -0.024 63.037 63.100 -0.065 0.000 0.771 238 P CB 0.232 31.860 31.700 -0.120 0.000 0.864 239 L N 4.724 125.770 121.223 -0.295 0.000 2.298 239 L HA 0.333 4.673 4.340 -0.000 0.000 0.284 239 L C -0.254 176.320 176.870 -0.492 0.000 1.013 239 L CA -0.453 54.114 54.840 -0.456 0.000 0.824 239 L CB 0.289 42.023 42.059 -0.541 0.000 1.221 239 L HN 0.366 nan 8.230 nan 0.000 0.418 240 H N 4.959 123.945 119.070 -0.140 0.000 2.604 240 H HA 0.365 4.921 4.556 -0.000 0.000 0.306 240 H C -0.694 174.551 175.328 -0.139 0.000 1.075 240 H CA -0.574 55.412 56.048 -0.103 0.000 1.357 240 H CB 1.379 31.104 29.762 -0.062 0.000 1.426 240 H HN 0.323 nan 8.280 nan 0.000 0.470 241 V N 3.566 123.466 119.914 -0.023 0.000 2.350 241 V HA 0.316 4.436 4.120 -0.000 0.000 0.276 241 V C 1.007 177.084 176.094 -0.029 0.000 1.028 241 V CA -0.704 61.557 62.300 -0.065 0.000 0.860 241 V CB 1.344 33.116 31.823 -0.086 0.000 0.990 241 V HN 0.923 nan 8.190 nan 0.000 0.453 242 G N 3.143 111.918 108.800 -0.042 0.000 2.476 242 G HA2 0.583 4.543 3.960 -0.000 0.000 0.286 242 G HA3 0.583 4.543 3.960 -0.000 0.000 0.286 242 G C 0.361 175.245 174.900 -0.028 0.000 1.177 242 G CA -0.064 45.020 45.100 -0.026 0.000 0.870 242 G HN 0.961 nan 8.290 nan 0.000 0.528 243 G N -0.197 108.597 108.800 -0.010 0.000 2.616 243 G HA2 0.501 4.461 3.960 -0.000 0.000 0.268 243 G HA3 0.501 4.461 3.960 -0.000 0.000 0.268 243 G C -2.527 172.365 174.900 -0.013 0.000 1.213 243 G CA -0.920 44.173 45.100 -0.011 0.000 0.926 243 G HN 0.485 nan 8.290 nan 0.000 0.523 244 P HA 0.034 nan 4.420 nan 0.000 0.268 244 P C 1.051 178.342 177.300 -0.014 0.000 1.204 244 P CA -0.426 62.653 63.100 -0.034 0.000 0.768 244 P CB 1.337 33.005 31.700 -0.054 0.000 0.842 245 V N 4.021 123.921 119.914 -0.023 0.000 2.626 245 V HA -0.129 3.990 4.120 -0.000 0.000 0.252 245 V C 2.084 178.179 176.094 0.002 0.000 1.067 245 V CA 2.643 64.940 62.300 -0.006 0.000 1.081 245 V CB -1.391 30.434 31.823 0.002 0.000 0.686 245 V HN 0.781 nan 8.190 nan 0.000 0.468 246 G N -0.415 108.355 108.800 -0.051 0.000 2.501 246 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.220 246 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.220 246 G C 1.231 176.132 174.900 0.001 0.000 1.114 246 G CA 0.799 45.871 45.100 -0.047 0.000 0.757 246 G HN 0.623 nan 8.290 nan 0.000 0.559 247 E N -0.124 120.091 120.200 0.024 0.000 2.474 247 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 247 E C 0.144 176.769 176.600 0.043 0.000 1.039 247 E CA -0.326 56.089 56.400 0.025 0.000 0.881 247 E CB 0.108 29.818 29.700 0.016 0.000 0.970 247 E HN 0.496 nan 8.360 nan 0.000 0.486 248 H N 1.978 121.036 119.070 -0.021 0.000 2.610 248 H HA 0.083 4.639 4.556 -0.000 0.000 0.336 248 H C -1.678 173.643 175.328 -0.013 0.000 1.087 248 H CA -1.684 54.355 56.048 -0.014 0.000 1.405 248 H CB 1.830 31.586 29.762 -0.010 0.000 1.460 248 H HN -0.230 nan 8.280 nan 0.000 0.538 249 P HA -0.070 nan 4.420 nan 0.000 0.225 249 P C 0.945 178.226 177.300 -0.032 0.000 1.148 249 P CA 1.113 64.114 63.100 -0.166 0.000 0.779 249 P CB 0.082 31.654 31.700 -0.213 0.000 0.780 250 A N -0.117 122.776 122.820 0.121 0.000 2.121 250 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 250 A C 2.089 179.733 177.584 0.100 0.000 1.154 250 A CA 1.501 53.645 52.037 0.179 0.000 0.679 250 A CB -1.557 17.638 19.000 0.325 0.000 0.795 250 A HN 0.214 nan 8.150 nan 0.000 0.458 251 V N -2.562 117.403 119.914 0.085 0.000 2.759 251 V HA -0.063 4.057 4.120 -0.000 0.000 0.256 251 V C 2.422 178.516 176.094 0.000 0.000 1.080 251 V CA 1.544 63.862 62.300 0.031 0.000 1.101 251 V CB -1.518 30.314 31.823 0.015 0.000 0.698 251 V HN 0.449 nan 8.190 nan 0.000 0.477 252 A N 0.206 123.026 122.820 -0.000 0.000 1.933 252 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 252 A C 2.213 179.787 177.584 -0.017 0.000 1.175 252 A CA 1.711 53.740 52.037 -0.014 0.000 0.628 252 A CB -0.509 18.485 19.000 -0.010 0.000 0.814 252 A HN 0.526 nan 8.150 nan 0.000 0.444 253 E N -0.082 120.115 120.200 -0.005 0.000 2.150 253 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 253 E C 2.180 178.756 176.600 -0.041 0.000 0.985 253 E CA 1.223 57.618 56.400 -0.009 0.000 0.814 253 E CB -0.407 29.300 29.700 0.011 0.000 0.752 253 E HN 0.439 nan 8.360 nan 0.000 0.466 254 V N 0.696 120.581 119.914 -0.048 0.000 2.358 254 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 254 V C 2.577 178.541 176.094 -0.216 0.000 1.047 254 V CA 1.085 63.310 62.300 -0.124 0.000 1.035 254 V CB -0.603 31.195 31.823 -0.042 0.000 0.658 254 V HN 0.047 nan 8.190 nan 0.000 0.452 255 V N 0.011 119.850 119.914 -0.125 0.000 2.282 255 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 255 V C 2.388 178.408 176.094 -0.125 0.000 1.057 255 V CA 2.174 64.400 62.300 -0.123 0.000 1.032 255 V CB -0.557 31.214 31.823 -0.086 0.000 0.645 255 V HN 0.445 nan 8.190 nan 0.000 0.447 256 L N -0.224 120.951 121.223 -0.081 0.000 2.042 256 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 256 L C 2.715 179.560 176.870 -0.041 0.000 1.076 256 L CA 1.729 56.557 54.840 -0.021 0.000 0.749 256 L CB -0.802 41.267 42.059 0.017 0.000 0.893 256 L HN 0.397 nan 8.230 nan 0.000 0.432 257 A N -0.235 122.509 122.820 -0.128 0.000 1.902 257 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 257 A C 2.277 179.734 177.584 -0.211 0.000 1.181 257 A CA 1.329 53.269 52.037 -0.162 0.000 0.623 257 A CB -0.640 18.225 19.000 -0.224 0.000 0.818 257 A HN 0.349 nan 8.150 nan 0.000 0.443 258 L N -0.788 120.221 121.223 -0.358 0.000 2.017 258 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 258 L C 3.098 179.929 176.870 -0.066 0.000 1.073 258 L CA 1.153 55.880 54.840 -0.188 0.000 0.745 258 L CB -0.435 41.516 42.059 -0.179 0.000 0.894 258 L HN 0.455 nan 8.230 nan 0.000 0.432 259 A N -0.388 122.397 122.820 -0.059 0.000 1.940 259 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 259 A C 2.399 180.037 177.584 0.089 0.000 1.176 259 A CA 1.931 53.975 52.037 0.011 0.000 0.631 259 A CB -0.681 18.319 19.000 -0.000 0.000 0.814 259 A HN 0.496 nan 8.150 nan 0.000 0.446 260 A N -0.227 122.637 122.820 0.074 0.000 1.898 260 A HA 0.026 4.346 4.320 -0.000 0.000 0.214 260 A C 0.979 178.593 177.584 0.049 0.000 1.183 260 A CA 0.406 52.484 52.037 0.068 0.000 0.622 260 A CB -0.417 18.613 19.000 0.051 0.000 0.824 260 A HN 0.602 nan 8.150 nan 0.000 0.444 261 E N -0.616 119.615 120.200 0.051 0.000 2.694 261 E HA 0.239 4.589 4.350 -0.000 0.000 0.250 261 E C 1.058 177.681 176.600 0.039 0.000 0.963 261 E CA 0.571 57.006 56.400 0.057 0.000 0.949 261 E CB -0.138 29.615 29.700 0.088 0.000 0.911 261 E HN 0.731 nan 8.360 nan 0.000 0.500 262 G N 3.769 112.588 108.800 0.031 0.000 2.176 262 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.253 262 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.253 262 G C 0.179 175.090 174.900 0.019 0.000 0.979 262 G CA 0.263 45.375 45.100 0.021 0.000 0.641 262 G HN 0.625 nan 8.290 nan 0.000 0.530 263 R N 0.794 121.308 120.500 0.023 0.000 2.488 263 R HA 0.402 4.742 4.340 -0.000 0.000 0.306 263 R C 0.937 177.242 176.300 0.008 0.000 1.271 263 R CA 0.443 56.554 56.100 0.019 0.000 1.022 263 R CB 0.237 30.549 30.300 0.021 0.000 1.054 263 R HN 0.381 nan 8.270 nan 0.000 0.500 264 E N 0.936 121.140 120.200 0.008 0.000 2.301 264 E HA -0.207 4.143 4.350 -0.000 0.000 0.202 264 E C -0.114 176.485 176.600 -0.001 0.000 1.017 264 E CA 1.551 57.954 56.400 0.004 0.000 0.831 264 E CB 0.202 29.905 29.700 0.005 0.000 0.742 264 E HN 0.609 nan 8.360 nan 0.000 0.491 265 D N -2.002 118.395 120.400 -0.004 0.000 2.626 265 D HA 0.151 4.791 4.640 -0.000 0.000 0.278 265 D C -0.432 175.856 176.300 -0.020 0.000 1.211 265 D CA -0.462 53.532 54.000 -0.010 0.000 0.903 265 D CB 1.162 41.955 40.800 -0.010 0.000 1.408 265 D HN -0.140 nan 8.370 nan 0.000 0.454 266 E N -0.136 120.047 120.200 -0.028 0.000 2.651 266 E HA 0.136 4.486 4.350 -0.000 0.000 0.208 266 E C 1.187 177.758 176.600 -0.049 0.000 0.997 266 E CA -0.151 56.223 56.400 -0.044 0.000 1.020 266 E CB 0.866 30.541 29.700 -0.042 0.000 1.052 266 E HN 0.147 nan 8.360 nan 0.000 0.465 267 R N 0.377 120.853 120.500 -0.039 0.000 2.064 267 R HA 0.073 4.413 4.340 -0.000 0.000 0.228 267 R C 1.147 177.416 176.300 -0.053 0.000 1.144 267 R CA 1.203 57.280 56.100 -0.038 0.000 0.932 267 R CB -0.199 30.086 30.300 -0.025 0.000 0.833 267 R HN 0.211 nan 8.270 nan 0.000 0.429 268 G N -1.186 107.583 108.800 -0.051 0.000 2.566 268 G HA2 0.014 3.974 3.960 -0.000 0.000 0.599 268 G HA3 0.014 3.974 3.960 -0.000 0.000 0.599 268 G C -0.387 174.488 174.900 -0.041 0.000 1.292 268 G CA -0.616 44.444 45.100 -0.065 0.000 0.922 268 G HN 0.612 nan 8.290 nan 0.000 0.514 269 G N -1.417 107.355 108.800 -0.046 0.000 3.209 269 G HA2 0.740 4.700 3.960 -0.000 0.000 0.236 269 G HA3 0.740 4.700 3.960 -0.000 0.000 0.236 269 G C -1.288 173.605 174.900 -0.012 0.000 1.329 269 G CA 0.359 45.454 45.100 -0.008 0.000 1.015 269 G HN 0.798 nan 8.290 nan 0.000 0.571 270 D N -1.027 119.398 120.400 0.042 0.000 2.553 270 D HA 0.415 5.055 4.640 -0.000 0.000 0.249 270 D C 0.186 176.589 176.300 0.171 0.000 1.062 270 D CA -0.404 53.636 54.000 0.065 0.000 1.085 270 D CB 1.667 42.497 40.800 0.050 0.000 1.350 270 D HN 0.594 nan 8.370 nan 0.000 0.575 271 I N -1.491 119.189 120.570 0.183 0.000 2.529 271 I HA 0.252 4.422 4.170 -0.000 0.000 0.284 271 I C 0.149 176.339 176.117 0.122 0.000 1.082 271 I CA -0.327 61.106 61.300 0.222 0.000 1.406 271 I CB 0.753 38.864 38.000 0.185 0.000 1.405 271 I HN 0.037 nan 8.210 nan 0.000 0.548 272 D N 5.827 126.271 120.400 0.073 0.000 2.343 272 D HA 0.013 4.653 4.640 -0.000 0.000 0.255 272 D C 0.535 176.893 176.300 0.096 0.000 1.187 272 D CA -0.196 53.843 54.000 0.065 0.000 0.875 272 D CB 1.330 42.146 40.800 0.025 0.000 1.136 272 D HN 0.667 nan 8.370 nan 0.000 0.469 273 Q N 3.014 122.864 119.800 0.083 0.000 2.172 273 Q HA -0.078 4.262 4.340 -0.000 0.000 0.200 273 Q C 1.840 177.883 176.000 0.071 0.000 0.964 273 Q CA 0.831 56.679 55.803 0.074 0.000 0.855 273 Q CB -0.185 28.587 28.738 0.057 0.000 0.918 273 Q HN 0.679 nan 8.270 nan 0.000 0.444 274 A N 1.214 124.087 122.820 0.089 0.000 1.858 274 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 274 A C 2.062 179.684 177.584 0.062 0.000 1.190 274 A CA 1.769 53.864 52.037 0.097 0.000 0.617 274 A CB -0.981 18.094 19.000 0.126 0.000 0.827 274 A HN 0.462 nan 8.150 nan 0.000 0.443 275 H N 0.328 119.414 119.070 0.028 0.000 2.319 275 H HA -0.100 4.456 4.556 -0.000 0.000 0.299 275 H C 2.219 177.592 175.328 0.074 0.000 1.092 275 H CA 2.008 58.096 56.048 0.068 0.000 1.302 275 H CB -0.377 29.430 29.762 0.074 0.000 1.373 275 H HN 0.378 nan 8.280 nan 0.000 0.497 276 A N 1.106 124.042 122.820 0.194 0.000 1.933 276 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 276 A C 2.401 179.951 177.584 -0.058 0.000 1.175 276 A CA 1.563 53.672 52.037 0.119 0.000 0.628 276 A CB -0.482 18.588 19.000 0.117 0.000 0.814 276 A HN 0.636 nan 8.150 nan 0.000 0.444 277 E N -0.270 119.830 120.200 -0.167 0.000 2.085 277 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 277 E C 2.302 178.398 176.600 -0.841 0.000 0.994 277 E CA 1.042 57.222 56.400 -0.366 0.000 0.801 277 E CB -0.294 29.246 29.700 -0.267 0.000 0.743 277 E HN 0.635 nan 8.360 nan 0.000 0.453 278 A N 0.369 122.522 122.820 -1.113 0.000 1.933 278 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 278 A C 1.642 178.715 177.584 -0.852 0.000 1.175 278 A CA 1.036 52.297 52.037 -1.293 0.000 0.628 278 A CB -0.842 17.607 19.000 -0.918 0.000 0.814 278 A HN 0.351 nan 8.150 nan 0.000 0.444 279 W N -0.487 120.560 121.300 -0.422 0.000 2.518 279 W HA 0.177 4.837 4.660 -0.000 0.000 0.273 279 W C 2.623 179.045 176.519 -0.162 0.000 1.247 279 W CA 0.753 57.948 57.345 -0.250 0.000 1.288 279 W CB -0.049 29.254 29.460 -0.262 0.000 1.107 279 W HN 0.363 nan 8.180 nan 0.000 0.586 280 A N 0.617 123.408 122.820 -0.048 0.000 1.902 280 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 280 A C 2.106 179.660 177.584 -0.049 0.000 1.181 280 A CA 2.223 54.246 52.037 -0.023 0.000 0.623 280 A CB -1.177 17.799 19.000 -0.041 0.000 0.818 280 A HN 0.172 nan 8.150 nan 0.000 0.443 281 A N -0.289 122.403 122.820 -0.213 0.000 1.902 281 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 281 A C 2.154 179.744 177.584 0.010 0.000 1.181 281 A CA 1.584 53.483 52.037 -0.230 0.000 0.623 281 A CB -0.530 18.089 19.000 -0.635 0.000 0.818 281 A HN 0.545 nan 8.150 nan 0.000 0.443 282 L N -0.226 120.998 121.223 0.002 0.000 2.027 282 L HA -0.130 4.209 4.340 -0.000 0.000 0.206 282 L C 2.416 179.353 176.870 0.112 0.000 1.074 282 L CA 1.984 56.905 54.840 0.135 0.000 0.745 282 L CB -1.029 40.988 42.059 -0.070 0.000 0.898 282 L HN 0.416 nan 8.230 nan 0.000 0.433 283 R N -1.089 119.474 120.500 0.105 0.000 2.103 283 R HA -0.239 4.101 4.340 -0.000 0.000 0.242 283 R C 2.339 178.708 176.300 0.116 0.000 1.142 283 R CA 1.604 57.754 56.100 0.083 0.000 0.960 283 R CB -0.674 29.694 30.300 0.112 0.000 0.858 283 R HN 0.587 nan 8.270 nan 0.000 0.439 284 H N 0.938 120.043 119.070 0.059 0.000 2.293 284 H HA -0.133 4.423 4.556 -0.000 0.000 0.300 284 H C 2.188 177.567 175.328 0.085 0.000 1.082 284 H CA 1.852 57.941 56.048 0.069 0.000 1.308 284 H CB -0.141 29.648 29.762 0.045 0.000 1.375 284 H HN 0.172 nan 8.280 nan 0.000 0.495 285 L N 0.602 121.950 121.223 0.210 0.000 2.042 285 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 285 L C 2.797 179.705 176.870 0.064 0.000 1.076 285 L CA 1.722 56.648 54.840 0.143 0.000 0.749 285 L CB -0.567 41.605 42.059 0.188 0.000 0.893 285 L HN 0.320 nan 8.230 nan 0.000 0.432 286 A N -0.333 122.510 122.820 0.040 0.000 1.902 286 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 286 A C 2.060 179.767 177.584 0.205 0.000 1.181 286 A CA 1.805 53.851 52.037 0.015 0.000 0.623 286 A CB -0.584 18.231 19.000 -0.309 0.000 0.818 286 A HN 0.644 nan 8.150 nan 0.000 0.443 287 E N -0.250 120.064 120.200 0.190 0.000 2.268 287 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 287 E C 1.796 178.447 176.600 0.084 0.000 0.995 287 E CA 0.897 57.418 56.400 0.202 0.000 0.836 287 E CB -0.185 29.581 29.700 0.111 0.000 0.763 287 E HN 0.633 nan 8.360 nan 0.000 0.491 288 R N 0.391 120.904 120.500 0.023 0.000 2.300 288 R HA 0.163 4.503 4.340 -0.000 0.000 0.199 288 R C 0.594 176.922 176.300 0.047 0.000 0.920 288 R CA 0.460 56.565 56.100 0.009 0.000 1.046 288 R CB 0.656 30.936 30.300 -0.033 0.000 0.984 288 R HN 0.101 nan 8.270 nan 0.000 0.493 289 G N -0.025 108.824 108.800 0.082 0.000 2.879 289 G HA2 0.111 4.071 3.960 -0.000 0.000 0.686 289 G HA3 0.111 4.071 3.960 -0.000 0.000 0.686 289 G C -0.313 174.619 174.900 0.053 0.000 1.115 289 G CA -0.626 44.523 45.100 0.081 0.000 0.770 289 G HN 0.473 nan 8.290 nan 0.000 0.601 290 G N 0.496 109.324 108.800 0.046 0.000 2.600 290 G HA2 0.849 4.809 3.960 -0.000 0.000 0.293 290 G HA3 0.849 4.809 3.960 -0.000 0.000 0.293 290 G C -1.035 173.869 174.900 0.006 0.000 1.408 290 G CA -0.888 44.223 45.100 0.019 0.000 0.782 290 G HN 0.796 nan 8.290 nan 0.000 0.482 291 R N -0.543 119.945 120.500 -0.021 0.000 2.534 291 R HA 0.647 4.987 4.340 -0.000 0.000 0.301 291 R C -1.007 175.249 176.300 -0.073 0.000 0.961 291 R CA -0.656 55.426 56.100 -0.030 0.000 0.871 291 R CB 2.263 32.545 30.300 -0.030 0.000 1.170 291 R HN 0.299 nan 8.270 nan 0.000 0.446 292 L N 3.016 124.200 121.223 -0.064 0.000 2.372 292 L HA 0.439 4.779 4.340 -0.000 0.000 0.273 292 L C 0.910 177.690 176.870 -0.150 0.000 0.989 292 L CA -0.466 54.289 54.840 -0.142 0.000 0.841 292 L CB 1.647 43.642 42.059 -0.107 0.000 1.225 292 L HN 1.000 nan 8.230 nan 0.000 0.414 293 G N 3.099 111.761 108.800 -0.230 0.000 2.629 293 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.313 293 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.313 293 G C 0.479 175.349 174.900 -0.050 0.000 1.217 293 G CA 0.527 45.508 45.100 -0.199 0.000 0.994 293 G HN 0.707 nan 8.290 nan 0.000 0.549 294 E N -0.084 120.147 120.200 0.052 0.000 2.451 294 E HA 0.413 4.763 4.350 -0.000 0.000 0.194 294 E C -0.217 176.285 176.600 -0.164 0.000 1.027 294 E CA -0.133 56.201 56.400 -0.109 0.000 0.914 294 E CB 0.768 30.328 29.700 -0.233 0.000 1.054 294 E HN 0.240 nan 8.360 nan 0.000 0.461 295 V N 1.816 121.758 119.914 0.046 0.000 2.555 295 V HA 0.245 4.365 4.120 -0.000 0.000 0.302 295 V C -0.592 175.528 176.094 0.045 0.000 1.038 295 V CA -0.947 61.404 62.300 0.085 0.000 0.887 295 V CB 1.960 33.939 31.823 0.260 0.000 0.991 295 V HN 0.102 nan 8.190 nan 0.000 0.434 296 L N 5.824 127.054 121.223 0.013 0.000 2.272 296 L HA 0.627 4.967 4.340 -0.000 0.000 0.289 296 L C -0.832 176.062 176.870 0.041 0.000 1.032 296 L CA -0.179 54.667 54.840 0.011 0.000 0.810 296 L CB 1.218 43.267 42.059 -0.017 0.000 1.205 296 L HN 0.606 nan 8.230 nan 0.000 0.422 297 L N 5.308 126.569 121.223 0.062 0.000 2.298 297 L HA 0.667 5.007 4.340 -0.000 0.000 0.284 297 L C -0.650 176.299 176.870 0.133 0.000 1.013 297 L CA 0.286 55.187 54.840 0.102 0.000 0.824 297 L CB 1.465 43.571 42.059 0.079 0.000 1.221 297 L HN 0.709 nan 8.230 nan 0.000 0.418 298 T N 6.468 121.131 114.554 0.181 0.000 2.848 298 T HA 0.536 4.886 4.350 -0.000 0.000 0.285 298 T C -2.744 172.116 174.700 0.266 0.000 0.995 298 T CA -1.214 60.992 62.100 0.176 0.000 0.970 298 T CB 1.685 70.625 68.868 0.119 0.000 0.976 298 T HN 0.356 nan 8.240 nan 0.000 0.441 299 P HA 0.143 nan 4.420 nan 0.000 0.268 299 P C -1.231 176.108 177.300 0.065 0.000 1.204 299 P CA -0.225 62.915 63.100 0.066 0.000 0.768 299 P CB 0.222 31.938 31.700 0.027 0.000 0.842 300 Y N 3.575 123.762 120.300 -0.188 0.000 2.705 300 Y HA 0.450 5.000 4.550 -0.000 0.000 0.355 300 Y C 1.068 176.876 175.900 -0.154 0.000 1.039 300 Y CA 0.376 58.407 58.100 -0.115 0.000 1.233 300 Y CB 0.219 38.641 38.460 -0.064 0.000 1.103 300 Y HN 0.798 nan 8.280 nan 0.000 0.624 301 G N 2.614 111.244 108.800 -0.285 0.000 2.629 301 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.313 301 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.313 301 G C 1.207 175.969 174.900 -0.231 0.000 1.217 301 G CA 0.293 45.241 45.100 -0.253 0.000 0.994 301 G HN 1.301 nan 8.290 nan 0.000 0.549 302 G N 0.020 108.700 108.800 -0.199 0.000 3.088 302 G HA2 0.503 4.463 3.960 -0.000 0.000 0.212 302 G HA3 0.503 4.463 3.960 -0.000 0.000 0.212 302 G C 0.779 175.531 174.900 -0.247 0.000 1.173 302 G CA 0.910 45.891 45.100 -0.198 0.000 0.779 302 G HN 0.631 nan 8.290 nan 0.000 0.540 303 L N -1.510 119.572 121.223 -0.234 0.000 2.464 303 L HA 0.725 5.065 4.340 -0.000 0.000 0.264 303 L C -0.677 175.891 176.870 -0.504 0.000 1.062 303 L CA -1.249 53.488 54.840 -0.172 0.000 0.935 303 L CB 1.075 43.210 42.059 0.127 0.000 1.603 303 L HN -0.099 nan 8.230 nan 0.000 0.528 304 F N -0.770 119.279 119.950 0.166 0.000 2.551 304 F HA 0.420 4.947 4.527 -0.000 0.000 0.316 304 F C -0.105 175.742 175.800 0.078 0.000 1.089 304 F CA -0.591 57.491 58.000 0.136 0.000 0.915 304 F CB 1.861 40.926 39.000 0.108 0.000 1.186 304 F HN 0.277 nan 8.300 nan 0.000 0.456 305 E N 2.808 123.136 120.200 0.213 0.000 2.171 305 E HA 0.598 4.948 4.350 -0.000 0.000 0.271 305 E C -1.807 174.851 176.600 0.098 0.000 0.916 305 E CA -0.724 55.693 56.400 0.028 0.000 0.774 305 E CB 1.467 31.079 29.700 -0.148 0.000 1.128 305 E HN 0.494 nan 8.360 nan 0.000 0.403 306 L N 4.456 125.742 121.223 0.105 0.000 2.334 306 L HA 0.614 4.954 4.340 -0.000 0.000 0.276 306 L C 0.033 176.864 176.870 -0.064 0.000 1.014 306 L CA -0.455 54.462 54.840 0.128 0.000 0.815 306 L CB 1.648 43.882 42.059 0.291 0.000 1.268 306 L HN 0.599 nan 8.230 nan 0.000 0.428 307 R N -0.206 120.120 120.500 -0.290 0.000 2.747 307 R HA 0.484 4.824 4.340 -0.000 0.000 0.272 307 R C -1.018 174.918 176.300 -0.607 0.000 1.032 307 R CA -0.976 54.617 56.100 -0.847 0.000 0.896 307 R CB 0.899 30.891 30.300 -0.512 0.000 1.253 307 R HN 0.502 nan 8.270 nan 0.000 0.461 308 H N 1.005 119.595 119.070 -0.799 0.000 2.732 308 H HA 0.020 4.576 4.556 -0.000 0.000 0.351 308 H C 0.622 175.848 175.328 -0.170 0.000 1.090 308 H CA 1.462 57.344 56.048 -0.276 0.000 1.431 308 H CB 1.671 31.309 29.762 -0.207 0.000 1.447 308 H HN 0.804 nan 8.280 nan 0.000 0.582 309 T N 2.207 116.790 114.554 0.048 0.000 2.803 309 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 309 T C 2.335 177.121 174.700 0.143 0.000 1.052 309 T CA 1.127 63.273 62.100 0.077 0.000 1.136 309 T CB -0.173 68.711 68.868 0.027 0.000 0.864 309 T HN 0.558 nan 8.240 nan 0.000 0.467 310 L N 0.786 122.198 121.223 0.315 0.000 2.275 310 L HA -0.013 4.327 4.340 -0.000 0.000 0.215 310 L C 1.873 178.722 176.870 -0.034 0.000 1.119 310 L CA 1.103 55.984 54.840 0.068 0.000 0.790 310 L CB -0.400 41.604 42.059 -0.091 0.000 0.919 310 L HN 0.203 nan 8.230 nan 0.000 0.443 311 D N -0.316 120.051 120.400 -0.054 0.000 2.328 311 D HA -0.021 4.619 4.640 -0.000 0.000 0.221 311 D C 0.667 176.917 176.300 -0.083 0.000 1.072 311 D CA 0.104 54.040 54.000 -0.107 0.000 0.850 311 D CB 0.052 40.734 40.800 -0.196 0.000 0.922 311 D HN 0.313 nan 8.370 nan 0.000 0.516 312 E N 0.017 120.189 120.200 -0.047 0.000 2.568 312 E HA 0.061 4.411 4.350 -0.000 0.000 0.262 312 E C 1.173 177.752 176.600 -0.034 0.000 0.961 312 E CA 0.875 57.253 56.400 -0.037 0.000 0.945 312 E CB 0.243 29.933 29.700 -0.016 0.000 0.924 312 E HN 0.305 nan 8.360 nan 0.000 0.467 313 G N 3.992 112.774 108.800 -0.030 0.000 2.205 313 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.261 313 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.261 313 G C 0.441 175.324 174.900 -0.029 0.000 0.980 313 G CA 0.499 45.586 45.100 -0.023 0.000 0.632 313 G HN 0.622 nan 8.290 nan 0.000 0.533 314 R N 1.121 121.595 120.500 -0.044 0.000 2.490 314 R HA 0.602 4.942 4.340 -0.000 0.000 0.280 314 R C 1.047 177.324 176.300 -0.039 0.000 1.077 314 R CA 0.166 56.238 56.100 -0.046 0.000 1.065 314 R CB 0.314 30.574 30.300 -0.067 0.000 1.003 314 R HN 0.710 nan 8.270 nan 0.000 0.470 315 A N 3.368 126.171 122.820 -0.028 0.000 2.566 315 A HA -0.012 4.308 4.320 -0.000 0.000 0.245 315 A C 1.130 178.700 177.584 -0.023 0.000 1.056 315 A CA 0.240 52.265 52.037 -0.019 0.000 0.757 315 A CB 0.229 19.222 19.000 -0.012 0.000 0.979 315 A HN 0.976 nan 8.150 nan 0.000 0.508 316 T N 2.840 117.385 114.554 -0.016 0.000 2.759 316 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 316 T C 1.601 176.293 174.700 -0.013 0.000 1.042 316 T CA 1.939 64.028 62.100 -0.020 0.000 1.140 316 T CB -0.377 68.492 68.868 0.000 0.000 0.864 316 T HN 0.547 nan 8.240 nan 0.000 0.455 317 L N 0.654 121.875 121.223 -0.003 0.000 2.465 317 L HA 0.033 4.372 4.340 -0.000 0.000 0.224 317 L C 2.047 178.917 176.870 -0.001 0.000 1.145 317 L CA 0.687 55.528 54.840 0.002 0.000 0.834 317 L CB -0.344 41.719 42.059 0.006 0.000 0.944 317 L HN 0.126 nan 8.230 nan 0.000 0.451 318 D N -0.071 120.323 120.400 -0.009 0.000 2.349 318 D HA 0.103 4.743 4.640 -0.000 0.000 0.215 318 D C 0.542 176.835 176.300 -0.013 0.000 1.016 318 D CA 0.363 54.356 54.000 -0.011 0.000 0.870 318 D CB 0.323 41.112 40.800 -0.019 0.000 0.917 318 D HN 0.134 nan 8.370 nan 0.000 0.524 319 L N 0.823 122.037 121.223 -0.015 0.000 2.331 319 L HA 0.378 4.718 4.340 -0.000 0.000 0.275 319 L C 0.294 177.179 176.870 0.025 0.000 1.022 319 L CA -0.907 53.927 54.840 -0.010 0.000 0.812 319 L CB 1.803 43.832 42.059 -0.050 0.000 1.257 319 L HN -0.147 nan 8.230 nan 0.000 0.435 320 Q N 1.422 121.261 119.800 0.065 0.000 2.295 320 Q HA 0.206 4.546 4.340 -0.000 0.000 0.259 320 Q C -0.996 175.065 176.000 0.102 0.000 0.976 320 Q CA -0.293 55.558 55.803 0.081 0.000 0.923 320 Q CB 1.017 29.812 28.738 0.096 0.000 1.185 320 Q HN 0.585 nan 8.270 nan 0.000 0.410 321 T N 3.929 118.524 114.554 0.068 0.000 2.806 321 T HA 0.465 4.815 4.350 -0.000 0.000 0.290 321 T C -0.396 174.344 174.700 0.067 0.000 0.966 321 T CA -0.583 61.556 62.100 0.064 0.000 1.060 321 T CB 1.004 69.889 68.868 0.029 0.000 0.927 321 T HN 0.526 nan 8.240 nan 0.000 0.485 322 V N 1.111 121.073 119.914 0.080 0.000 3.074 322 V HA 0.833 4.953 4.120 -0.000 0.000 0.314 322 V C 0.418 176.542 176.094 0.050 0.000 1.117 322 V CA -0.915 61.417 62.300 0.054 0.000 1.014 322 V CB 1.776 33.622 31.823 0.038 0.000 1.057 322 V HN 0.695 nan 8.190 nan 0.000 0.438 323 V N -1.779 118.158 119.914 0.038 0.000 3.337 323 V HA 0.458 4.578 4.120 -0.000 0.000 0.307 323 V C 0.374 176.492 176.094 0.039 0.000 1.505 323 V CA 0.699 63.025 62.300 0.043 0.000 1.072 323 V CB -0.395 31.453 31.823 0.042 0.000 0.929 323 V HN 1.252 nan 8.190 nan 0.000 0.455 324 T N -3.147 111.422 114.554 0.025 0.000 2.893 324 T HA 0.659 5.009 4.350 -0.000 0.000 0.291 324 T C -2.163 172.538 174.700 0.001 0.000 1.028 324 T CA -1.655 60.454 62.100 0.016 0.000 0.995 324 T CB 2.098 70.971 68.868 0.008 0.000 1.051 324 T HN -0.043 nan 8.240 nan 0.000 0.470 325 P HA -0.071 nan 4.420 nan 0.000 0.216 325 P C 1.059 178.334 177.300 -0.042 0.000 1.150 325 P CA 1.105 64.192 63.100 -0.022 0.000 0.843 325 P CB 0.144 31.834 31.700 -0.017 0.000 0.787 326 E N -0.807 119.375 120.200 -0.029 0.000 2.107 326 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 326 E C 2.296 178.867 176.600 -0.049 0.000 0.982 326 E CA 1.345 57.725 56.400 -0.033 0.000 0.809 326 E CB -1.339 28.353 29.700 -0.013 0.000 0.756 326 E HN 0.202 nan 8.360 nan 0.000 0.459 327 G N 1.124 109.899 108.800 -0.043 0.000 2.421 327 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 327 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 327 G C 1.512 176.347 174.900 -0.109 0.000 1.171 327 G CA 0.862 45.930 45.100 -0.053 0.000 0.775 327 G HN 0.225 nan 8.290 nan 0.000 0.543 328 L N 0.937 122.083 121.223 -0.129 0.000 2.012 328 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 328 L C 2.667 179.340 176.870 -0.328 0.000 1.073 328 L CA 2.285 56.971 54.840 -0.257 0.000 0.748 328 L CB -0.635 41.305 42.059 -0.198 0.000 0.891 328 L HN 0.199 nan 8.230 nan 0.000 0.431 329 R N -0.168 120.200 120.500 -0.221 0.000 2.083 329 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 329 R C 1.859 178.033 176.300 -0.210 0.000 1.137 329 R CA 2.223 58.196 56.100 -0.211 0.000 0.951 329 R CB -0.799 29.426 30.300 -0.125 0.000 0.851 329 R HN 0.464 nan 8.270 nan 0.000 0.434 330 D N 0.653 120.965 120.400 -0.147 0.000 2.117 330 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 330 D C 1.862 178.073 176.300 -0.149 0.000 0.987 330 D CA 0.816 54.752 54.000 -0.106 0.000 0.829 330 D CB -0.211 40.554 40.800 -0.058 0.000 0.961 330 D HN 0.151 nan 8.370 nan 0.000 0.460 331 L N 0.448 121.544 121.223 -0.213 0.000 2.291 331 L HA -0.027 4.312 4.340 -0.000 0.000 0.214 331 L C 2.043 178.705 176.870 -0.348 0.000 1.120 331 L CA 1.349 56.042 54.840 -0.246 0.000 0.799 331 L CB -0.799 41.096 42.059 -0.274 0.000 0.925 331 L HN 0.143 nan 8.230 nan 0.000 0.446 332 T N -5.673 108.622 114.554 -0.432 0.000 3.092 332 T HA 0.272 4.622 4.350 -0.000 0.000 0.258 332 T C 1.615 176.105 174.700 -0.349 0.000 1.031 332 T CA 0.385 62.228 62.100 -0.430 0.000 0.925 332 T CB 0.121 68.643 68.868 -0.576 0.000 1.036 332 T HN 0.108 nan 8.240 nan 0.000 0.544 333 A N 1.628 124.250 122.820 -0.329 0.000 2.066 333 A HA 0.272 4.592 4.320 -0.000 0.000 0.218 333 A C 1.246 178.572 177.584 -0.430 0.000 1.157 333 A CA 0.285 52.040 52.037 -0.469 0.000 0.670 333 A CB -0.084 18.693 19.000 -0.373 0.000 0.804 333 A HN 0.527 nan 8.150 nan 0.000 0.453 334 R N -0.061 120.330 120.500 -0.182 0.000 2.807 334 R HA 0.417 4.757 4.340 -0.000 0.000 0.276 334 R C -1.221 175.058 176.300 -0.036 0.000 0.979 334 R CA -0.600 55.465 56.100 -0.057 0.000 0.928 334 R CB 1.223 31.564 30.300 0.067 0.000 1.191 334 R HN 0.404 nan 8.270 nan 0.000 0.471 335 D N 0.040 120.445 120.400 0.008 0.000 2.433 335 D HA -0.011 4.629 4.640 -0.000 0.000 0.255 335 D C 0.293 176.624 176.300 0.053 0.000 1.226 335 D CA -0.367 53.658 54.000 0.042 0.000 1.015 335 D CB 0.553 41.394 40.800 0.067 0.000 1.091 335 D HN 0.510 nan 8.370 nan 0.000 0.527 336 E N -0.948 119.288 120.200 0.059 0.000 2.409 336 E HA -0.055 4.294 4.350 -0.000 0.000 0.198 336 E C 1.287 177.916 176.600 0.047 0.000 1.024 336 E CA 0.824 57.255 56.400 0.051 0.000 0.861 336 E CB -0.110 29.615 29.700 0.041 0.000 0.788 336 E HN 0.541 nan 8.360 nan 0.000 0.521 337 A N 0.052 122.904 122.820 0.054 0.000 2.275 337 A HA 0.317 4.637 4.320 -0.000 0.000 0.212 337 A C 1.654 179.273 177.584 0.057 0.000 1.201 337 A CA 0.610 52.678 52.037 0.053 0.000 0.843 337 A CB -0.008 19.027 19.000 0.057 0.000 0.873 337 A HN 0.283 nan 8.150 nan 0.000 0.492 338 G N -0.489 108.348 108.800 0.063 0.000 2.136 338 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.242 338 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.242 338 G C 0.190 175.151 174.900 0.102 0.000 0.989 338 G CA 0.194 45.338 45.100 0.074 0.000 0.682 338 G HN 0.608 nan 8.290 nan 0.000 0.522 339 R N -0.661 119.901 120.500 0.104 0.000 2.410 339 R HA 0.330 4.670 4.340 -0.000 0.000 0.288 339 R C 0.552 176.957 176.300 0.174 0.000 1.051 339 R CA -0.707 55.475 56.100 0.137 0.000 1.021 339 R CB 0.898 31.268 30.300 0.117 0.000 1.032 339 R HN 0.349 nan 8.270 nan 0.000 0.481 340 W N 3.604 124.873 121.300 -0.051 0.000 2.170 340 W HA -0.002 4.658 4.660 -0.000 0.000 0.342 340 W C -0.365 176.073 176.519 -0.136 0.000 1.294 340 W CA 0.004 57.289 57.345 -0.100 0.000 1.246 340 W CB 0.577 29.959 29.460 -0.131 0.000 1.156 340 W HN 0.374 nan 8.180 nan 0.000 0.572 341 R N 6.107 126.236 120.500 -0.619 0.000 2.575 341 R HA 0.130 4.470 4.340 -0.000 0.000 0.281 341 R C -1.496 174.354 176.300 -0.749 0.000 1.272 341 R CA -1.358 54.401 56.100 -0.568 0.000 1.417 341 R CB 0.837 30.880 30.300 -0.428 0.000 1.121 341 R HN 0.316 nan 8.270 nan 0.000 0.583 342 P HA -0.061 nan 4.420 nan 0.000 0.221 342 P C 0.243 177.307 177.300 -0.393 0.000 1.150 342 P CA 0.974 63.818 63.100 -0.426 0.000 0.800 342 P CB 0.465 32.019 31.700 -0.242 0.000 0.787 343 I N 0.656 120.909 120.570 -0.529 0.000 2.359 343 I HA 0.265 4.435 4.170 -0.000 0.000 0.284 343 I C 1.520 177.485 176.117 -0.254 0.000 1.018 343 I CA -0.736 60.317 61.300 -0.412 0.000 1.173 343 I CB 1.174 38.795 38.000 -0.632 0.000 1.326 343 I HN -0.164 nan 8.210 nan 0.000 0.462 344 R N 2.130 122.575 120.500 -0.093 0.000 2.275 344 R HA -0.030 4.310 4.340 -0.000 0.000 0.199 344 R C 1.525 177.954 176.300 0.215 0.000 0.989 344 R CA 0.957 57.042 56.100 -0.025 0.000 1.016 344 R CB 0.162 30.419 30.300 -0.072 0.000 0.918 344 R HN 0.735 nan 8.270 nan 0.000 0.473 345 T N -2.672 112.047 114.554 0.276 0.000 3.148 345 T HA -0.011 4.339 4.350 -0.000 0.000 0.253 345 T C 0.171 175.089 174.700 0.364 0.000 1.134 345 T CA -0.274 62.016 62.100 0.316 0.000 1.051 345 T CB -0.084 68.892 68.868 0.180 0.000 0.959 345 T HN 0.045 nan 8.240 nan 0.000 0.525 346 W N 2.702 124.029 121.300 0.046 0.000 2.181 346 W HA 0.324 4.984 4.660 -0.000 0.000 0.335 346 W C 1.161 177.709 176.519 0.048 0.000 1.310 346 W CA -1.741 55.618 57.345 0.024 0.000 1.226 346 W CB 0.200 29.654 29.460 -0.009 0.000 1.155 346 W HN 0.033 nan 8.180 nan 0.000 0.565 347 R N 2.319 122.894 120.500 0.126 0.000 4.886 347 R HA 0.002 4.341 4.340 -0.000 0.000 0.181 347 R C 0.527 176.909 176.300 0.137 0.000 1.989 347 R CA 0.796 56.954 56.100 0.097 0.000 1.623 347 R CB -0.684 29.619 30.300 0.006 0.000 1.383 347 R HN 0.590 nan 8.270 nan 0.000 0.847 348 T N -2.334 112.336 114.554 0.192 0.000 3.399 348 T HA 0.104 4.454 4.350 -0.000 0.000 0.305 348 T C 0.014 174.816 174.700 0.169 0.000 0.983 348 T CA -0.595 61.612 62.100 0.178 0.000 0.967 348 T CB 0.047 69.036 68.868 0.202 0.000 1.186 348 T HN 0.112 nan 8.240 nan 0.000 0.504 349 L N 4.552 125.904 121.223 0.215 0.000 2.455 349 L HA 0.419 4.759 4.340 -0.000 0.000 0.272 349 L C -2.204 174.871 176.870 0.343 0.000 1.174 349 L CA -1.472 53.505 54.840 0.228 0.000 0.869 349 L CB 0.401 42.588 42.059 0.215 0.000 1.130 349 L HN 0.050 nan 8.230 nan 0.000 0.474 350 P HA 0.182 nan 4.420 nan 0.000 0.277 350 P C -0.925 176.600 177.300 0.375 0.000 1.240 350 P CA -0.411 62.833 63.100 0.239 0.000 0.798 350 P CB 0.805 32.595 31.700 0.150 0.000 0.979 351 R N 0.170 120.719 120.500 0.082 0.000 2.583 351 R HA 0.523 4.863 4.340 -0.000 0.000 0.268 351 R C 1.091 177.442 176.300 0.084 0.000 1.101 351 R CA 0.390 56.454 56.100 -0.060 0.000 1.180 351 R CB 0.004 30.171 30.300 -0.221 0.000 1.128 351 R HN 0.833 nan 8.270 nan 0.000 0.568 352 G N 0.086 108.852 108.800 -0.057 0.000 2.168 352 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.197 352 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.197 352 G C -0.563 174.386 174.900 0.082 0.000 0.997 352 G CA -0.100 45.006 45.100 0.010 0.000 0.658 352 G HN 0.641 nan 8.290 nan 0.000 0.513 353 W N 0.250 121.550 121.300 0.000 0.000 2.882 353 W HA 0.863 5.523 4.660 -0.000 0.000 0.345 353 W C -0.245 176.272 176.519 -0.004 0.000 1.125 353 W CA -1.045 56.298 57.345 -0.003 0.000 1.167 353 W CB 0.910 30.368 29.460 -0.003 0.000 1.431 353 W HN 0.522 nan 8.180 nan 0.000 0.543 354 R N 1.403 122.035 120.500 0.220 0.000 2.564 354 R HA 0.759 5.099 4.340 -0.000 0.000 0.284 354 R C -1.757 174.696 176.300 0.256 0.000 1.031 354 R CA -0.679 55.476 56.100 0.092 0.000 0.904 354 R CB 1.727 31.980 30.300 -0.080 0.000 1.199 354 R HN 0.606 nan 8.270 nan 0.000 0.443 355 A N 2.937 125.939 122.820 0.304 0.000 2.304 355 A HA 0.591 4.911 4.320 -0.000 0.000 0.323 355 A C -0.717 176.918 177.584 0.086 0.000 1.195 355 A CA -0.796 51.367 52.037 0.209 0.000 0.826 355 A CB 1.740 20.887 19.000 0.246 0.000 1.184 355 A HN 0.453 nan 8.150 nan 0.000 0.496 356 V N 4.459 124.394 119.914 0.035 0.000 2.334 356 V HA 0.384 4.504 4.120 -0.000 0.000 0.281 356 V C -0.379 175.764 176.094 0.082 0.000 1.016 356 V CA -0.095 62.205 62.300 -0.000 0.000 0.832 356 V CB 0.718 32.481 31.823 -0.099 0.000 0.999 356 V HN 0.756 nan 8.190 nan 0.000 0.439 357 L N 4.161 125.473 121.223 0.148 0.000 2.346 357 L HA 0.607 4.946 4.340 -0.000 0.000 0.274 357 L C 0.635 177.643 176.870 0.230 0.000 1.007 357 L CA -0.495 54.447 54.840 0.171 0.000 0.818 357 L CB 2.457 44.620 42.059 0.173 0.000 1.284 357 L HN 0.718 nan 8.230 nan 0.000 0.424 358 S N 1.466 117.270 115.700 0.173 0.000 2.584 358 S HA 0.234 4.704 4.470 -0.000 0.000 0.270 358 S C -1.946 172.810 174.600 0.259 0.000 1.346 358 S CA -0.901 57.404 58.200 0.175 0.000 1.018 358 S CB 0.928 64.194 63.200 0.110 0.000 0.899 358 S HN 0.431 nan 8.310 nan 0.000 0.542 359 P HA -0.058 nan 4.420 nan 0.000 0.217 359 P C 1.463 178.859 177.300 0.159 0.000 1.148 359 P CA 1.854 65.149 63.100 0.325 0.000 0.828 359 P CB -0.233 31.646 31.700 0.299 0.000 0.783 360 A N -0.604 122.283 122.820 0.111 0.000 2.015 360 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 360 A C 1.801 179.404 177.584 0.032 0.000 1.163 360 A CA 1.733 53.806 52.037 0.060 0.000 0.646 360 A CB -0.985 18.045 19.000 0.050 0.000 0.806 360 A HN 0.077 nan 8.150 nan 0.000 0.448 361 D N -1.077 119.355 120.400 0.053 0.000 2.350 361 D HA 0.048 4.688 4.640 -0.000 0.000 0.213 361 D C 1.609 177.916 176.300 0.012 0.000 1.031 361 D CA 0.055 54.072 54.000 0.028 0.000 0.861 361 D CB 0.143 40.973 40.800 0.050 0.000 0.926 361 D HN 0.304 nan 8.370 nan 0.000 0.520 362 L N 1.249 122.489 121.223 0.027 0.000 2.012 362 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 362 L C 2.282 179.126 176.870 -0.043 0.000 1.073 362 L CA 1.739 56.579 54.840 0.000 0.000 0.748 362 L CB -0.309 41.701 42.059 -0.082 0.000 0.891 362 L HN -0.130 nan 8.230 nan 0.000 0.431 363 R N -1.020 119.368 120.500 -0.187 0.000 2.070 363 R HA -0.194 4.145 4.340 -0.000 0.000 0.233 363 R C 2.316 178.381 176.300 -0.392 0.000 1.137 363 R CA 1.980 57.735 56.100 -0.575 0.000 0.945 363 R CB -0.600 29.172 30.300 -0.881 0.000 0.845 363 R HN 0.378 nan 8.270 nan 0.000 0.430 364 L N 0.828 121.912 121.223 -0.233 0.000 2.042 364 L HA -0.036 4.304 4.340 -0.000 0.000 0.210 364 L C 2.206 179.044 176.870 -0.053 0.000 1.076 364 L CA 2.355 57.121 54.840 -0.123 0.000 0.749 364 L CB -1.091 40.920 42.059 -0.080 0.000 0.893 364 L HN 0.388 nan 8.230 nan 0.000 0.432 365 G N -0.430 108.352 108.800 -0.029 0.000 2.529 365 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 365 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 365 G C 1.477 176.395 174.900 0.031 0.000 1.177 365 G CA 1.100 46.201 45.100 0.001 0.000 0.773 365 G HN 0.341 nan 8.290 nan 0.000 0.573 366 L N 0.466 121.748 121.223 0.098 0.000 2.156 366 L HA 0.123 4.463 4.340 -0.000 0.000 0.208 366 L C 2.567 179.587 176.870 0.250 0.000 1.095 366 L CA 1.512 56.481 54.840 0.214 0.000 0.770 366 L CB -0.910 41.378 42.059 0.382 0.000 0.914 366 L HN 0.296 nan 8.230 nan 0.000 0.439 367 E N -0.298 120.026 120.200 0.207 0.000 2.106 367 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 367 E C 2.262 178.925 176.600 0.105 0.000 0.984 367 E CA 1.025 57.539 56.400 0.191 0.000 0.806 367 E CB -0.088 29.675 29.700 0.105 0.000 0.750 367 E HN 0.412 nan 8.360 nan 0.000 0.458 368 L N -0.136 121.110 121.223 0.039 0.000 2.240 368 L HA -0.055 4.285 4.340 -0.000 0.000 0.211 368 L C 2.244 179.079 176.870 -0.059 0.000 1.106 368 L CA 0.290 55.130 54.840 -0.001 0.000 0.793 368 L CB -0.295 41.748 42.059 -0.027 0.000 0.927 368 L HN 0.243 nan 8.230 nan 0.000 0.446 369 L N -0.993 120.181 121.223 -0.080 0.000 2.044 369 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 369 L C 0.095 176.807 176.870 -0.262 0.000 1.075 369 L CA 1.758 56.458 54.840 -0.234 0.000 0.747 369 L CB -0.039 41.878 42.059 -0.236 0.000 0.903 369 L HN 0.053 nan 8.230 nan 0.000 0.435 370 Y N 0.160 120.465 120.300 0.008 0.000 2.592 370 Y HA 0.426 4.976 4.550 -0.000 0.000 0.354 370 Y C -2.296 173.636 175.900 0.054 0.000 1.063 370 Y CA -3.628 54.482 58.100 0.016 0.000 1.205 370 Y CB -0.087 38.381 38.460 0.013 0.000 1.106 370 Y HN 0.074 nan 8.280 nan 0.000 0.649 371 P HA 0.065 nan 4.420 nan 0.000 0.261 371 P C 0.666 178.062 177.300 0.159 0.000 1.183 371 P CA 1.564 64.761 63.100 0.163 0.000 0.761 371 P CB 0.949 32.722 31.700 0.123 0.000 0.785 372 A N 2.036 124.961 122.820 0.176 0.000 3.396 372 A HA -0.245 4.075 4.320 -0.000 0.000 0.267 372 A C 1.574 179.222 177.584 0.106 0.000 1.139 372 A CA 1.568 53.696 52.037 0.151 0.000 1.115 372 A CB -2.632 16.445 19.000 0.129 0.000 1.133 372 A HN 0.354 nan 8.150 nan 0.000 0.920 373 V N 0.294 120.256 119.914 0.081 0.000 2.358 373 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 373 V C 2.402 178.469 176.094 -0.045 0.000 1.047 373 V CA 2.048 64.344 62.300 -0.007 0.000 1.035 373 V CB -0.561 31.213 31.823 -0.083 0.000 0.658 373 V HN 0.680 nan 8.190 nan 0.000 0.452 374 I N 0.305 120.827 120.570 -0.080 0.000 2.179 374 I HA -0.204 3.965 4.170 -0.000 0.000 0.242 374 I C 2.501 178.579 176.117 -0.066 0.000 1.088 374 I CA 1.653 62.829 61.300 -0.207 0.000 1.357 374 I CB -1.262 36.281 38.000 -0.762 0.000 1.051 374 I HN 0.388 nan 8.210 nan 0.000 0.409 375 E N 0.548 120.713 120.200 -0.059 0.000 2.072 375 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 375 E C 2.161 178.843 176.600 0.136 0.000 0.985 375 E CA 1.093 57.511 56.400 0.031 0.000 0.801 375 E CB -0.156 29.610 29.700 0.110 0.000 0.750 375 E HN 0.499 nan 8.360 nan 0.000 0.452 376 E N 0.169 120.439 120.200 0.116 0.000 2.072 376 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 376 E C 2.143 178.827 176.600 0.139 0.000 0.985 376 E CA 1.137 57.608 56.400 0.119 0.000 0.801 376 E CB -0.021 29.730 29.700 0.085 0.000 0.750 376 E HN 0.062 nan 8.360 nan 0.000 0.452 377 S N 0.357 116.138 115.700 0.135 0.000 2.368 377 S HA -0.193 4.276 4.470 -0.000 0.000 0.225 377 S C 1.736 176.517 174.600 0.302 0.000 1.030 377 S CA 1.092 59.398 58.200 0.177 0.000 0.999 377 S CB -0.372 62.850 63.200 0.037 0.000 0.844 377 S HN 0.347 nan 8.310 nan 0.000 0.459 378 Y N 2.335 122.761 120.300 0.209 0.000 2.114 378 Y HA -0.167 4.383 4.550 -0.000 0.000 0.284 378 Y C 2.455 178.335 175.900 -0.034 0.000 1.143 378 Y CA 1.196 59.264 58.100 -0.053 0.000 1.135 378 Y CB -0.815 37.519 38.460 -0.211 0.000 0.980 378 Y HN 0.211 nan 8.280 nan 0.000 0.499 379 A N -0.884 122.013 122.820 0.128 0.000 1.933 379 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 379 A C 2.030 179.642 177.584 0.047 0.000 1.175 379 A CA 2.020 54.106 52.037 0.082 0.000 0.628 379 A CB -1.254 17.830 19.000 0.139 0.000 0.814 379 A HN 0.720 nan 8.150 nan 0.000 0.444 380 H N -0.083 118.975 119.070 -0.020 0.000 2.353 380 H HA -0.056 4.499 4.556 -0.000 0.000 0.300 380 H C 1.946 177.232 175.328 -0.069 0.000 1.090 380 H CA 1.796 57.833 56.048 -0.019 0.000 1.327 380 H CB 0.033 29.802 29.762 0.011 0.000 1.383 380 H HN 0.385 nan 8.280 nan 0.000 0.508 381 E N -0.211 119.887 120.200 -0.169 0.000 2.160 381 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 381 E C 1.332 177.727 176.600 -0.342 0.000 0.991 381 E CA 0.901 57.122 56.400 -0.298 0.000 0.810 381 E CB -0.224 29.281 29.700 -0.324 0.000 0.742 381 E HN 0.649 nan 8.360 nan 0.000 0.466 382 H N 0.363 119.230 119.070 -0.339 0.000 2.547 382 H HA 0.191 4.747 4.556 -0.000 0.000 0.274 382 H C 0.188 175.403 175.328 -0.189 0.000 1.024 382 H CA 0.183 56.057 56.048 -0.291 0.000 1.155 382 H CB -0.089 29.452 29.762 -0.368 0.000 1.344 382 H HN 0.070 nan 8.280 nan 0.000 0.598 383 R N 0.216 120.666 120.500 -0.083 0.000 3.525 383 R HA -0.190 4.150 4.340 -0.000 0.000 0.276 383 R C 0.382 176.663 176.300 -0.032 0.000 1.116 383 R CA 0.967 57.022 56.100 -0.076 0.000 0.745 383 R CB -1.530 28.735 30.300 -0.057 0.000 1.185 383 R HN 0.487 nan 8.270 nan 0.000 0.454 384 R N -0.497 119.979 120.500 -0.040 0.000 2.599 384 R HA 0.160 4.500 4.340 -0.000 0.000 0.451 384 R C -0.680 175.472 176.300 -0.246 0.000 0.988 384 R CA -0.754 55.260 56.100 -0.144 0.000 1.085 384 R CB 0.353 30.592 30.300 -0.101 0.000 1.452 384 R HN 0.050 nan 8.270 nan 0.000 0.596 385 L N 2.544 123.734 121.223 -0.055 0.000 2.281 385 L HA 0.343 4.683 4.340 -0.000 0.000 0.285 385 L C -0.689 176.161 176.870 -0.033 0.000 1.074 385 L CA -0.259 54.584 54.840 0.005 0.000 0.817 385 L CB 0.317 42.488 42.059 0.187 0.000 1.168 385 L HN 0.181 nan 8.230 nan 0.000 0.434 386 H N 5.675 124.824 119.070 0.132 0.000 2.527 386 H HA 0.324 4.880 4.556 -0.000 0.000 0.321 386 H C -0.686 174.687 175.328 0.076 0.000 1.087 386 H CA -0.337 55.721 56.048 0.018 0.000 1.337 386 H CB 0.586 30.305 29.762 -0.071 0.000 1.440 386 H HN 0.680 nan 8.280 nan 0.000 0.490 387 W N 1.556 122.998 121.300 0.237 0.000 2.647 387 W HA 0.497 5.157 4.660 -0.000 0.000 0.353 387 W C -1.079 175.540 176.519 0.167 0.000 1.080 387 W CA -1.061 56.401 57.345 0.195 0.000 1.208 387 W CB 0.385 29.978 29.460 0.221 0.000 1.396 387 W HN 0.241 nan 8.180 nan 0.000 0.573 388 T N 4.141 118.910 114.554 0.358 0.000 2.770 388 T HA 0.314 4.664 4.350 -0.000 0.000 0.283 388 T C -2.266 172.670 174.700 0.394 0.000 0.988 388 T CA -1.194 61.011 62.100 0.176 0.000 0.957 388 T CB 1.587 70.489 68.868 0.057 0.000 0.930 388 T HN 0.074 nan 8.240 nan 0.000 0.443 389 P HA -0.037 nan 4.420 nan 0.000 0.272 389 P C 0.953 178.437 177.300 0.306 0.000 1.223 389 P CA -0.611 62.811 63.100 0.537 0.000 0.784 389 P CB 0.929 32.877 31.700 0.412 0.000 0.923 390 W N 3.840 125.276 121.300 0.227 0.000 2.304 390 W HA -0.227 4.433 4.660 0.000 0.000 0.315 390 W C 1.309 177.850 176.519 0.036 0.000 1.233 390 W CA 1.470 58.842 57.345 0.044 0.000 1.261 390 W CB -0.748 28.820 29.460 0.179 0.000 1.150 390 W HN 0.162 nan 8.180 nan 0.000 0.494 391 M N 1.119 120.747 119.600 0.046 0.000 2.213 391 M HA -0.162 4.318 4.480 -0.000 0.000 0.263 391 M C 2.531 178.715 176.300 -0.193 0.000 1.062 391 M CA 1.960 57.205 55.300 -0.092 0.000 1.105 391 M CB -1.465 31.219 32.600 0.140 0.000 1.385 391 M HN 0.085 nan 8.290 nan 0.000 0.417 392 S N -0.474 115.153 115.700 -0.120 0.000 2.356 392 S HA -0.144 4.326 4.470 -0.000 0.000 0.223 392 S C 1.809 176.279 174.600 -0.217 0.000 1.032 392 S CA 2.161 60.283 58.200 -0.130 0.000 1.005 392 S CB -0.261 62.899 63.200 -0.066 0.000 0.867 392 S HN 0.579 nan 8.310 nan 0.000 0.449 393 T N 2.349 116.716 114.554 -0.313 0.000 2.635 393 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 393 T C 2.090 176.522 174.700 -0.447 0.000 1.040 393 T CA 1.601 63.472 62.100 -0.380 0.000 1.156 393 T CB -0.961 67.602 68.868 -0.508 0.000 0.863 393 T HN 0.561 nan 8.240 nan 0.000 0.430 394 A N 1.620 124.009 122.820 -0.718 0.000 1.908 394 A HA -0.146 4.173 4.320 -0.000 0.000 0.218 394 A C 2.388 179.817 177.584 -0.259 0.000 1.181 394 A CA 1.610 53.294 52.037 -0.588 0.000 0.627 394 A CB -0.576 17.988 19.000 -0.726 0.000 0.818 394 A HN 0.410 nan 8.150 nan 0.000 0.445 395 R N -0.850 119.523 120.500 -0.212 0.000 2.152 395 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 395 R C 2.309 178.558 176.300 -0.085 0.000 1.117 395 R CA 1.182 57.217 56.100 -0.108 0.000 0.981 395 R CB -0.223 30.026 30.300 -0.085 0.000 0.870 395 R HN 0.502 nan 8.270 nan 0.000 0.451 396 R N 0.317 120.752 120.500 -0.108 0.000 2.148 396 R HA -0.049 4.291 4.340 -0.000 0.000 0.227 396 R C 0.420 176.698 176.300 -0.037 0.000 1.103 396 R CA 0.686 56.740 56.100 -0.076 0.000 0.983 396 R CB 0.028 30.275 30.300 -0.089 0.000 0.874 396 R HN 0.185 nan 8.270 nan 0.000 0.451 397 Q N 0.982 120.761 119.800 -0.034 0.000 2.354 397 Q HA 0.140 4.480 4.340 -0.000 0.000 0.244 397 Q C 0.266 176.299 176.000 0.055 0.000 0.969 397 Q CA 0.361 56.179 55.803 0.025 0.000 0.885 397 Q CB 1.411 30.156 28.738 0.011 0.000 1.241 397 Q HN 0.136 nan 8.270 nan 0.000 0.461 398 T N -3.084 111.536 114.554 0.110 0.000 2.864 398 T HA 0.777 5.127 4.350 -0.000 0.000 0.299 398 T C 0.319 175.097 174.700 0.131 0.000 1.166 398 T CA -0.208 61.967 62.100 0.125 0.000 1.007 398 T CB 2.022 71.008 68.868 0.195 0.000 1.219 398 T HN 0.883 nan 8.240 nan 0.000 0.506 399 G N 1.193 110.046 108.800 0.089 0.000 2.542 399 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.235 399 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.235 399 G C 0.991 175.932 174.900 0.069 0.000 1.286 399 G CA 0.937 46.084 45.100 0.078 0.000 0.904 399 G HN 2.006 nan 8.290 nan 0.000 0.577 400 T N -1.441 113.155 114.554 0.070 0.000 2.803 400 T HA -0.062 4.288 4.350 -0.000 0.000 0.269 400 T C 2.465 177.207 174.700 0.071 0.000 1.052 400 T CA 2.298 64.436 62.100 0.063 0.000 1.136 400 T CB -0.134 68.770 68.868 0.059 0.000 0.864 400 T HN 1.068 nan 8.240 nan 0.000 0.467 401 L N 1.468 122.740 121.223 0.082 0.000 2.275 401 L HA 0.350 4.690 4.340 -0.000 0.000 0.215 401 L C 2.798 179.714 176.870 0.075 0.000 1.119 401 L CA 1.029 55.919 54.840 0.083 0.000 0.790 401 L CB -1.181 40.933 42.059 0.091 0.000 0.919 401 L HN 0.423 nan 8.230 nan 0.000 0.443 402 A N -0.967 121.895 122.820 0.069 0.000 2.070 402 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 402 A C 2.318 179.940 177.584 0.063 0.000 1.159 402 A CA 1.310 53.379 52.037 0.054 0.000 0.656 402 A CB -0.514 18.516 19.000 0.050 0.000 0.800 402 A HN 0.360 nan 8.150 nan 0.000 0.453 403 R N 0.122 120.665 120.500 0.073 0.000 2.226 403 R HA -0.158 4.182 4.340 -0.000 0.000 0.246 403 R C 1.924 178.294 176.300 0.117 0.000 1.161 403 R CA 1.614 57.764 56.100 0.084 0.000 0.997 403 R CB -1.041 29.306 30.300 0.078 0.000 0.870 403 R HN 0.601 nan 8.270 nan 0.000 0.465 404 V N -2.013 117.983 119.914 0.138 0.000 2.568 404 V HA -0.270 3.850 4.120 -0.000 0.000 0.253 404 V C 1.619 177.876 176.094 0.272 0.000 1.072 404 V CA 1.814 64.256 62.300 0.237 0.000 1.084 404 V CB -0.688 31.285 31.823 0.250 0.000 0.676 404 V HN 0.320 nan 8.190 nan 0.000 0.469 405 Q N 0.020 119.912 119.800 0.152 0.000 2.439 405 Q HA -0.065 4.275 4.340 -0.000 0.000 0.211 405 Q C 2.158 178.253 176.000 0.158 0.000 0.978 405 Q CA 1.172 57.058 55.803 0.138 0.000 0.897 405 Q CB -0.124 28.655 28.738 0.068 0.000 0.956 405 Q HN 0.624 nan 8.270 nan 0.000 0.483 406 R N -0.405 120.184 120.500 0.149 0.000 2.265 406 R HA 0.245 4.584 4.340 -0.000 0.000 0.194 406 R C 0.397 176.772 176.300 0.125 0.000 0.931 406 R CA 0.300 56.471 56.100 0.118 0.000 1.032 406 R CB 0.063 30.417 30.300 0.090 0.000 0.980 406 R HN 0.035 nan 8.270 nan 0.000 0.497 407 A N 2.321 125.240 122.820 0.166 0.000 2.520 407 A HA 0.181 4.501 4.320 -0.000 0.000 0.245 407 A C 0.628 178.262 177.584 0.084 0.000 1.072 407 A CA -0.022 52.083 52.037 0.113 0.000 0.761 407 A CB 0.008 19.074 19.000 0.111 0.000 1.004 407 A HN 0.325 nan 8.150 nan 0.000 0.499 408 T N 1.407 115.980 114.554 0.033 0.000 2.868 408 T HA 0.357 4.707 4.350 -0.000 0.000 0.292 408 T C -1.801 172.879 174.700 -0.034 0.000 1.028 408 T CA -1.200 60.912 62.100 0.019 0.000 1.059 408 T CB 0.473 69.349 68.868 0.013 0.000 0.991 408 T HN 0.359 nan 8.240 nan 0.000 0.531 409 P HA -0.141 nan 4.420 nan 0.000 0.216 409 P C 1.062 178.314 177.300 -0.080 0.000 1.154 409 P CA 1.275 64.341 63.100 -0.057 0.000 0.865 409 P CB -0.025 31.671 31.700 -0.005 0.000 0.789 410 D N -1.624 118.747 120.400 -0.049 0.000 2.178 410 D HA -0.141 4.499 4.640 -0.000 0.000 0.202 410 D C 2.055 178.318 176.300 -0.062 0.000 0.974 410 D CA 0.951 54.922 54.000 -0.048 0.000 0.841 410 D CB -0.237 40.547 40.800 -0.027 0.000 0.953 410 D HN 0.179 nan 8.370 nan 0.000 0.478 411 Q N -0.390 119.372 119.800 -0.064 0.000 2.079 411 Q HA -0.108 4.232 4.340 -0.000 0.000 0.200 411 Q C 2.381 178.309 176.000 -0.121 0.000 0.974 411 Q CA 1.330 57.094 55.803 -0.065 0.000 0.840 411 Q CB -0.080 28.635 28.738 -0.039 0.000 0.898 411 Q HN 0.332 nan 8.270 nan 0.000 0.430 412 V N 0.479 120.261 119.914 -0.220 0.000 2.427 412 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 412 V C 1.238 177.204 176.094 -0.213 0.000 1.051 412 V CA 2.225 64.308 62.300 -0.360 0.000 1.048 412 V CB -0.343 30.937 31.823 -0.906 0.000 0.666 412 V HN 0.223 nan 8.190 nan 0.000 0.456 413 D N 0.360 120.664 120.400 -0.161 0.000 2.144 413 D HA -0.110 4.529 4.640 -0.000 0.000 0.199 413 D C 2.299 178.549 176.300 -0.083 0.000 0.984 413 D CA 2.003 55.934 54.000 -0.116 0.000 0.834 413 D CB -0.479 40.268 40.800 -0.088 0.000 0.955 413 D HN 0.545 nan 8.370 nan 0.000 0.465 414 T N 0.110 114.623 114.554 -0.069 0.000 2.812 414 T HA -0.056 4.294 4.350 -0.000 0.000 0.264 414 T C 2.207 176.886 174.700 -0.035 0.000 1.042 414 T CA 0.618 62.691 62.100 -0.045 0.000 1.140 414 T CB -0.125 68.722 68.868 -0.035 0.000 0.870 414 T HN -0.027 nan 8.240 nan 0.000 0.445 415 V N 1.712 121.604 119.914 -0.036 0.000 2.379 415 V HA -0.085 4.035 4.120 -0.000 0.000 0.245 415 V C 2.894 178.991 176.094 0.006 0.000 1.044 415 V CA 1.531 63.827 62.300 -0.006 0.000 1.036 415 V CB -1.185 30.639 31.823 0.002 0.000 0.664 415 V HN 0.493 nan 8.190 nan 0.000 0.453 416 A N 0.241 123.057 122.820 -0.007 0.000 1.933 416 A HA -0.130 4.189 4.320 -0.000 0.000 0.218 416 A C 2.426 179.984 177.584 -0.043 0.000 1.175 416 A CA 2.068 54.114 52.037 0.015 0.000 0.628 416 A CB -0.765 18.237 19.000 0.004 0.000 0.814 416 A HN 0.571 nan 8.150 nan 0.000 0.444 417 A N -1.266 121.517 122.820 -0.061 0.000 1.933 417 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 417 A C 2.141 179.692 177.584 -0.056 0.000 1.175 417 A CA 1.733 53.733 52.037 -0.061 0.000 0.628 417 A CB -0.369 18.604 19.000 -0.045 0.000 0.814 417 A HN 0.500 nan 8.150 nan 0.000 0.444 418 Q N -0.595 119.183 119.800 -0.036 0.000 2.062 418 Q HA -0.016 4.324 4.340 -0.000 0.000 0.196 418 Q C 2.368 178.341 176.000 -0.045 0.000 0.967 418 Q CA 1.479 57.261 55.803 -0.034 0.000 0.832 418 Q CB -0.763 27.970 28.738 -0.008 0.000 0.899 418 Q HN 0.466 nan 8.270 nan 0.000 0.442 419 V N 0.150 120.062 119.914 -0.003 0.000 2.323 419 V HA -0.213 3.907 4.120 -0.000 0.000 0.244 419 V C 2.368 178.408 176.094 -0.091 0.000 1.041 419 V CA 1.425 63.743 62.300 0.032 0.000 1.025 419 V CB -0.482 31.436 31.823 0.157 0.000 0.656 419 V HN 0.319 nan 8.190 nan 0.000 0.451 420 C N 0.619 119.889 119.300 -0.050 0.000 2.437 420 C HA 0.064 4.523 4.460 -0.000 0.000 0.283 420 C C 2.960 177.819 174.990 -0.218 0.000 1.424 420 C CA 0.241 59.204 59.018 -0.092 0.000 1.782 420 C CB -1.557 26.155 27.740 -0.047 0.000 1.833 420 C HN 0.606 nan 8.230 nan 0.000 0.532 421 A N 0.454 123.144 122.820 -0.217 0.000 2.076 421 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 421 A C 2.227 179.609 177.584 -0.337 0.000 1.160 421 A CA 2.041 53.944 52.037 -0.224 0.000 0.653 421 A CB -0.505 18.397 19.000 -0.163 0.000 0.801 421 A HN 0.548 nan 8.150 nan 0.000 0.455 422 S N -1.927 113.413 115.700 -0.599 0.000 2.522 422 S HA 0.022 4.492 4.470 -0.000 0.000 0.227 422 S C 0.696 174.761 174.600 -0.893 0.000 0.986 422 S CA 0.196 57.867 58.200 -0.881 0.000 0.929 422 S CB -0.575 61.638 63.200 -1.645 0.000 0.769 422 S HN 0.628 nan 8.310 nan 0.000 0.529 423 C N 1.871 120.765 119.300 -0.677 0.000 2.365 423 C HA 0.428 4.888 4.460 -0.000 0.000 0.351 423 C C 1.586 176.497 174.990 -0.132 0.000 1.240 423 C CA -0.767 58.049 59.018 -0.336 0.000 2.062 423 C CB -0.128 27.556 27.740 -0.093 0.000 2.387 423 C HN 0.292 nan 8.230 nan 0.000 0.537 424 L N 3.371 124.575 121.223 -0.033 0.000 2.201 424 L HA 0.098 4.437 4.340 -0.000 0.000 0.212 424 L C 1.761 178.598 176.870 -0.054 0.000 1.105 424 L CA 1.501 56.312 54.840 -0.048 0.000 0.775 424 L CB -1.122 40.905 42.059 -0.053 0.000 0.913 424 L HN 0.661 nan 8.230 nan 0.000 0.440 425 R N -0.910 119.576 120.500 -0.022 0.000 2.637 425 R HA 0.284 4.624 4.340 -0.000 0.000 0.269 425 R C -0.082 176.189 176.300 -0.048 0.000 1.089 425 R CA -0.031 56.054 56.100 -0.025 0.000 1.177 425 R CB 0.336 30.656 30.300 0.033 0.000 1.091 425 R HN -0.030 nan 8.270 nan 0.000 0.540 426 T N 2.525 117.037 114.554 -0.070 0.000 2.772 426 T HA 0.177 4.527 4.350 -0.000 0.000 0.288 426 T C -0.199 174.400 174.700 -0.168 0.000 0.994 426 T CA -0.786 61.253 62.100 -0.102 0.000 0.951 426 T CB 0.687 69.505 68.868 -0.083 0.000 0.933 426 T HN 0.485 nan 8.240 nan 0.000 0.447 427 R N 4.082 124.387 120.500 -0.325 0.000 2.605 427 R HA 0.132 4.472 4.340 -0.000 0.000 0.271 427 R C 0.402 176.300 176.300 -0.670 0.000 1.418 427 R CA -0.536 55.185 56.100 -0.631 0.000 1.102 427 R CB -0.324 29.311 30.300 -1.107 0.000 1.131 427 R HN 0.322 nan 8.270 nan 0.000 0.554 428 L N 2.622 123.614 121.223 -0.384 0.000 2.127 428 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 428 L C 2.042 178.529 176.870 -0.639 0.000 1.089 428 L CA 1.297 55.893 54.840 -0.408 0.000 0.757 428 L CB -0.833 41.071 42.059 -0.260 0.000 0.899 428 L HN 0.779 nan 8.230 nan 0.000 0.434 429 W N -1.558 119.546 121.300 -0.328 0.000 2.595 429 W HA 0.149 4.809 4.660 -0.000 0.000 0.257 429 W C 1.396 177.776 176.519 -0.232 0.000 1.267 429 W CA 0.634 57.832 57.345 -0.246 0.000 1.300 429 W CB -0.759 28.806 29.460 0.175 0.000 1.120 429 W HN 0.248 nan 8.180 nan 0.000 0.618 430 A N 0.746 123.111 122.820 -0.757 0.000 2.423 430 A HA 0.509 4.829 4.320 -0.000 0.000 0.246 430 A C 1.758 179.147 177.584 -0.325 0.000 1.278 430 A CA 0.624 52.291 52.037 -0.615 0.000 0.903 430 A CB -0.813 17.485 19.000 -1.171 0.000 0.997 430 A HN 0.635 nan 8.150 nan 0.000 0.510 431 G N -0.782 107.804 108.800 -0.357 0.000 2.159 431 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.256 431 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.256 431 G C 0.078 174.904 174.900 -0.124 0.000 0.977 431 G CA 0.330 45.294 45.100 -0.226 0.000 0.652 431 G HN 0.743 nan 8.290 nan 0.000 0.531 432 H N 1.294 120.156 119.070 -0.345 0.000 2.652 432 H HA 0.416 4.972 4.556 -0.000 0.000 0.349 432 H C 0.876 176.069 175.328 -0.224 0.000 1.099 432 H CA 0.775 56.664 56.048 -0.265 0.000 1.417 432 H CB 0.952 30.539 29.762 -0.291 0.000 1.457 432 H HN 0.419 nan 8.280 nan 0.000 0.568 433 T N 0.793 115.299 114.554 -0.079 0.000 2.940 433 T HA 0.465 4.815 4.350 -0.000 0.000 0.288 433 T C -0.548 174.144 174.700 -0.014 0.000 1.033 433 T CA -1.074 61.000 62.100 -0.044 0.000 1.033 433 T CB 1.768 70.613 68.868 -0.038 0.000 1.079 433 T HN 0.230 nan 8.240 nan 0.000 0.496 434 L N 1.871 123.132 121.223 0.063 0.000 2.415 434 L HA 0.702 5.042 4.340 -0.000 0.000 0.268 434 L C 0.774 177.737 176.870 0.155 0.000 0.984 434 L CA -0.028 54.863 54.840 0.086 0.000 0.853 434 L CB 1.292 43.375 42.059 0.040 0.000 1.215 434 L HN 0.955 nan 8.230 nan 0.000 0.419 435 G N 3.252 112.082 108.800 0.050 0.000 2.494 435 G HA2 0.067 4.027 3.960 -0.000 0.000 0.216 435 G HA3 0.067 4.027 3.960 -0.000 0.000 0.216 435 G C 0.239 175.138 174.900 -0.003 0.000 1.140 435 G CA 0.210 45.317 45.100 0.011 0.000 0.801 435 G HN 0.534 nan 8.290 nan 0.000 0.536 436 Q N -0.081 119.727 119.800 0.014 0.000 2.289 436 Q HA 0.441 4.780 4.340 -0.000 0.000 0.270 436 Q C -0.640 175.368 176.000 0.013 0.000 1.038 436 Q CA -0.569 55.235 55.803 0.002 0.000 0.812 436 Q CB 2.502 31.232 28.738 -0.014 0.000 1.300 436 Q HN 0.236 nan 8.270 nan 0.000 0.427 437 T N -2.216 112.348 114.554 0.017 0.000 2.889 437 T HA 0.454 4.804 4.350 -0.000 0.000 0.278 437 T C 1.501 176.150 174.700 -0.084 0.000 0.995 437 T CA -0.641 61.450 62.100 -0.015 0.000 0.966 437 T CB 0.383 69.267 68.868 0.027 0.000 1.237 437 T HN 0.696 nan 8.240 nan 0.000 0.591 438 I N -1.598 118.850 120.570 -0.204 0.000 2.229 438 I HA -0.137 4.033 4.170 -0.000 0.000 0.250 438 I C 1.857 177.791 176.117 -0.305 0.000 1.096 438 I CA 1.798 62.909 61.300 -0.314 0.000 1.358 438 I CB -0.887 36.810 38.000 -0.506 0.000 1.047 438 I HN 0.405 nan 8.210 nan 0.000 0.422 439 F N 1.818 121.732 119.950 -0.060 0.000 2.502 439 F HA -0.012 4.515 4.527 -0.000 0.000 0.298 439 F C 2.320 178.089 175.800 -0.053 0.000 1.111 439 F CA 0.908 58.874 58.000 -0.057 0.000 1.445 439 F CB -0.607 38.347 39.000 -0.077 0.000 1.081 439 F HN 0.060 nan 8.300 nan 0.000 0.558 440 S N -0.659 115.086 115.700 0.075 0.000 2.634 440 S HA 0.338 4.808 4.470 -0.000 0.000 0.221 440 S C 1.688 176.293 174.600 0.009 0.000 0.952 440 S CA 0.514 58.732 58.200 0.030 0.000 0.930 440 S CB -0.297 62.905 63.200 0.003 0.000 0.780 440 S HN 0.548 nan 8.310 nan 0.000 0.498 441 G N 0.961 109.760 108.800 -0.002 0.000 2.143 441 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.249 441 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.249 441 G C 0.012 174.891 174.900 -0.035 0.000 0.981 441 G CA -0.048 45.043 45.100 -0.015 0.000 0.665 441 G HN 0.441 nan 8.290 nan 0.000 0.528 442 V N 0.915 120.798 119.914 -0.051 0.000 2.304 442 V HA 0.284 4.404 4.120 -0.000 0.000 0.269 442 V C -0.424 175.618 176.094 -0.088 0.000 1.036 442 V CA -0.774 61.491 62.300 -0.058 0.000 0.840 442 V CB 1.483 33.277 31.823 -0.048 0.000 1.036 442 V HN 0.060 nan 8.190 nan 0.000 0.466 443 P HA -0.086 nan 4.420 nan 0.000 0.216 443 P C 1.443 178.668 177.300 -0.123 0.000 1.150 443 P CA 1.165 64.203 63.100 -0.104 0.000 0.837 443 P CB 0.290 31.948 31.700 -0.071 0.000 0.786 444 G N -0.994 107.749 108.800 -0.095 0.000 3.314 444 G HA2 0.208 4.168 3.960 -0.000 0.000 0.238 444 G HA3 0.208 4.168 3.960 -0.000 0.000 0.238 444 G C 0.587 175.430 174.900 -0.095 0.000 1.184 444 G CA -0.048 44.995 45.100 -0.096 0.000 0.806 444 G HN 0.334 nan 8.290 nan 0.000 0.536 445 G N 0.592 109.332 108.800 -0.101 0.000 2.696 445 G HA2 0.510 4.470 3.960 -0.000 0.000 0.329 445 G HA3 0.510 4.470 3.960 -0.000 0.000 0.329 445 G C -1.011 173.828 174.900 -0.102 0.000 0.973 445 G CA -0.280 44.771 45.100 -0.082 0.000 1.257 445 G HN 0.136 nan 8.290 nan 0.000 0.456 446 L N 4.407 125.568 121.223 -0.104 0.000 2.410 446 L HA 0.505 4.845 4.340 -0.000 0.000 0.270 446 L C -2.191 174.622 176.870 -0.095 0.000 0.983 446 L CA -1.935 52.838 54.840 -0.112 0.000 0.822 446 L CB 3.012 44.987 42.059 -0.141 0.000 1.285 446 L HN 0.244 nan 8.230 nan 0.000 0.409 447 P HA 0.155 nan 4.420 nan 0.000 0.282 447 P C -1.045 176.235 177.300 -0.033 0.000 1.249 447 P CA -0.532 62.483 63.100 -0.141 0.000 0.806 447 P CB 1.570 33.109 31.700 -0.268 0.000 0.984 448 C N 2.725 122.029 119.300 0.007 0.000 2.281 448 C HA 0.670 5.130 4.460 -0.000 0.000 0.323 448 C C 1.408 176.556 174.990 0.264 0.000 1.270 448 C CA -0.081 59.027 59.018 0.150 0.000 1.559 448 C CB -0.649 27.224 27.740 0.222 0.000 2.239 448 C HN 0.691 nan 8.230 nan 0.000 0.488 449 A N 4.017 127.003 122.820 0.277 0.000 2.267 449 A HA 0.378 4.697 4.320 -0.000 0.000 0.213 449 A C 0.496 178.321 177.584 0.402 0.000 1.192 449 A CA 0.405 52.653 52.037 0.351 0.000 0.851 449 A CB 0.032 19.182 19.000 0.250 0.000 0.881 449 A HN 0.900 nan 8.150 nan 0.000 0.494 450 E N -1.275 119.089 120.200 0.274 0.000 2.422 450 E HA 0.482 4.832 4.350 -0.000 0.000 0.289 450 E C -0.876 175.491 176.600 -0.388 0.000 0.985 450 E CA -0.504 55.826 56.400 -0.117 0.000 0.812 450 E CB 1.364 31.045 29.700 -0.032 0.000 1.226 450 E HN 0.308 nan 8.360 nan 0.000 0.419 451 A N 2.582 124.809 122.820 -0.989 0.000 2.566 451 A HA 0.215 4.535 4.320 -0.000 0.000 0.245 451 A C 0.691 178.159 177.584 -0.194 0.000 1.056 451 A CA 0.189 51.842 52.037 -0.639 0.000 0.757 451 A CB -0.890 17.680 19.000 -0.717 0.000 0.979 451 A HN 0.708 nan 8.150 nan 0.000 0.508 452 C N 1.929 121.219 119.300 -0.017 0.000 2.403 452 C HA 0.670 5.130 4.460 -0.000 0.000 0.361 452 C C 2.010 177.020 174.990 0.033 0.000 1.274 452 C CA 0.187 59.219 59.018 0.023 0.000 2.433 452 C CB 0.184 27.955 27.740 0.051 0.000 2.323 452 C HN 1.073 nan 8.230 nan 0.000 0.614 453 T N -0.904 113.675 114.554 0.041 0.000 2.915 453 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 453 T C 1.433 176.192 174.700 0.098 0.000 1.071 453 T CA 1.617 63.779 62.100 0.103 0.000 1.132 453 T CB -0.659 68.319 68.868 0.184 0.000 0.878 453 T HN 0.622 nan 8.240 nan 0.000 0.479 454 V N 1.185 121.015 119.914 -0.140 0.000 2.379 454 V HA -0.005 4.115 4.120 -0.000 0.000 0.245 454 V C 2.495 178.606 176.094 0.027 0.000 1.044 454 V CA 1.392 63.529 62.300 -0.272 0.000 1.036 454 V CB -0.641 30.887 31.823 -0.492 0.000 0.664 454 V HN 0.416 nan 8.190 nan 0.000 0.453 455 L N -0.355 120.934 121.223 0.110 0.000 2.093 455 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 455 L C 2.146 179.143 176.870 0.213 0.000 1.085 455 L CA 1.768 56.721 54.840 0.188 0.000 0.755 455 L CB -0.541 41.663 42.059 0.241 0.000 0.904 455 L HN 0.190 nan 8.230 nan 0.000 0.435 456 L N -0.400 120.943 121.223 0.199 0.000 2.012 456 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 456 L C 2.688 179.672 176.870 0.191 0.000 1.073 456 L CA 1.355 56.327 54.840 0.220 0.000 0.748 456 L CB -0.985 41.143 42.059 0.114 0.000 0.891 456 L HN 0.377 nan 8.230 nan 0.000 0.431 457 A N -0.190 122.731 122.820 0.168 0.000 1.933 457 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 457 A C 2.505 180.178 177.584 0.148 0.000 1.175 457 A CA 1.647 53.778 52.037 0.157 0.000 0.628 457 A CB -0.656 18.464 19.000 0.199 0.000 0.814 457 A HN 0.411 nan 8.150 nan 0.000 0.444 458 A N -0.655 122.254 122.820 0.149 0.000 1.930 458 A HA 0.050 4.370 4.320 -0.000 0.000 0.217 458 A C 2.193 179.850 177.584 0.121 0.000 1.175 458 A CA 1.665 53.781 52.037 0.132 0.000 0.627 458 A CB -0.736 18.344 19.000 0.135 0.000 0.815 458 A HN 0.355 nan 8.150 nan 0.000 0.443 459 V N 0.067 120.069 119.914 0.147 0.000 2.379 459 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 459 V C 2.602 178.782 176.094 0.143 0.000 1.044 459 V CA 2.033 64.417 62.300 0.139 0.000 1.036 459 V CB -0.798 31.147 31.823 0.204 0.000 0.664 459 V HN 0.666 nan 8.190 nan 0.000 0.453 460 R N 0.387 120.981 120.500 0.158 0.000 2.096 460 R HA -0.236 4.104 4.340 -0.000 0.000 0.240 460 R C 2.001 178.360 176.300 0.099 0.000 1.139 460 R CA 2.401 58.576 56.100 0.126 0.000 0.952 460 R CB -0.458 29.912 30.300 0.116 0.000 0.854 460 R HN 0.513 nan 8.270 nan 0.000 0.436 461 D N 0.012 120.469 120.400 0.095 0.000 2.144 461 D HA -0.170 4.470 4.640 -0.000 0.000 0.199 461 D C 1.792 178.132 176.300 0.068 0.000 0.984 461 D CA 1.197 55.245 54.000 0.079 0.000 0.834 461 D CB -0.230 40.620 40.800 0.083 0.000 0.955 461 D HN 0.330 nan 8.370 nan 0.000 0.465 462 E N 0.887 121.129 120.200 0.069 0.000 2.031 462 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 462 E C 2.103 178.734 176.600 0.052 0.000 0.994 462 E CA 0.792 57.224 56.400 0.054 0.000 0.800 462 E CB -0.343 29.384 29.700 0.046 0.000 0.752 462 E HN 0.006 nan 8.360 nan 0.000 0.447 463 V N 0.611 120.563 119.914 0.063 0.000 2.282 463 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 463 V C 2.361 178.488 176.094 0.055 0.000 1.057 463 V CA 2.124 64.461 62.300 0.062 0.000 1.032 463 V CB -1.327 30.546 31.823 0.082 0.000 0.645 463 V HN 0.533 nan 8.190 nan 0.000 0.447 464 G N -0.512 108.323 108.800 0.057 0.000 2.442 464 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 464 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 464 G C 1.763 176.688 174.900 0.041 0.000 1.141 464 G CA 0.859 45.989 45.100 0.050 0.000 0.763 464 G HN 0.475 nan 8.290 nan 0.000 0.554 465 R N -0.165 120.360 120.500 0.041 0.000 2.093 465 R HA 0.154 4.494 4.340 -0.000 0.000 0.224 465 R C 1.231 177.549 176.300 0.030 0.000 1.101 465 R CA 0.613 56.733 56.100 0.034 0.000 0.979 465 R CB 0.042 30.363 30.300 0.035 0.000 0.877 465 R HN 0.347 nan 8.270 nan 0.000 0.441 466 E N 0.000 120.219 120.200 0.032 0.000 2.725 466 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 466 E CA 0.000 56.417 56.400 0.028 0.000 0.976 466 E CB 0.000 29.716 29.700 0.026 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440