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 3m4p_1_C DATA FIRST_RESID 11 DATA SEQUENCE TPIVCNIRDA AGLEGKLVTF KGWAYHIRKA RKTLIFVELR DGSGYCQCVI DATA SEQUENCE FGKELCEPEK VKLLTRECSL EITGRLNAYA GKNHPPEIAD ILNLEMQVTE DATA SEQUENCE WKVIGESPID LENIINKDSS IPQKMQNRHI VIRSEHTQQV LQLRSEIQWY DATA SEQUENCE FRKYYHDNHF TEIQPPTIVK XXXXXXXTLF KLQYFNEPAY LTQSSQLYLE DATA SEQUENCE SVIASLGKSF CMLSSYRAEQ SRTVRHLAEY LHLEAELPFI SFEDLLNHLE DATA SEQUENCE DLVCTVIDNV MAVHGDKIRK MNPHLKLPTR PFKRMTYADA IKYCNDHXXX DATA SEQUENCE XXDKPFEYGE DISEKPERQM TDEIGCPIFM IHFPSKMKAF YMSKVPGHPD DATA SEQUENCE LTESVDLLMP GVGEIVGGSM RIWNYDELMG AYKANGLNPD PYYWYTQQRK DATA SEQUENCE YGSCPHGGYG LGVERLVMWL LGEDHIRKVC LYPRYLERCE P 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 11 T HA 0.000 nan 4.350 nan 0.000 0.228 11 T C 0.000 174.693 174.700 -0.011 0.000 1.109 11 T CA 0.000 62.094 62.100 -0.010 0.000 1.349 11 T CB 0.000 68.862 68.868 -0.009 0.000 0.612 12 P HA 0.537 nan 4.420 nan 0.000 0.273 12 P C -0.823 176.467 177.300 -0.017 0.000 1.319 12 P CA -0.054 63.037 63.100 -0.015 0.000 0.885 12 P CB -0.214 31.476 31.700 -0.017 0.000 1.015 13 I N 3.650 124.211 120.570 -0.016 0.000 2.436 13 I HA 0.028 4.200 4.170 0.004 0.000 0.289 13 I C 0.761 176.866 176.117 -0.021 0.000 1.083 13 I CA -0.581 60.709 61.300 -0.016 0.000 1.372 13 I CB 0.777 38.770 38.000 -0.012 0.000 1.408 13 I HN 0.105 nan 8.210 nan 0.000 0.516 14 V N 6.285 126.182 119.914 -0.027 0.000 2.715 14 V HA -0.062 4.060 4.120 0.004 0.000 0.299 14 V C 0.381 176.452 176.094 -0.037 0.000 1.054 14 V CA -0.505 61.771 62.300 -0.039 0.000 1.077 14 V CB 1.309 33.103 31.823 -0.047 0.000 0.972 14 V HN 0.849 nan 8.190 nan 0.000 0.484 15 C N 6.266 125.538 119.300 -0.048 0.000 2.303 15 C HA 0.267 4.729 4.460 0.004 0.000 0.341 15 C C 0.598 175.571 174.990 -0.028 0.000 1.244 15 C CA -0.858 58.141 59.018 -0.031 0.000 1.765 15 C CB -1.239 26.487 27.740 -0.024 0.000 2.379 15 C HN 0.914 nan 8.230 nan 0.000 0.530 16 N N 5.793 124.493 118.700 -0.001 0.000 2.399 16 N HA 0.433 5.176 4.740 0.004 0.000 0.259 16 N C -0.396 175.152 175.510 0.062 0.000 1.160 16 N CA 0.414 53.479 53.050 0.026 0.000 0.946 16 N CB 0.425 38.927 38.487 0.024 0.000 1.156 16 N HN 0.819 nan 8.380 nan 0.000 0.489 17 I N -0.527 120.116 120.570 0.121 0.000 3.279 17 I HA 0.587 4.759 4.170 0.004 0.000 0.315 17 I C -0.251 176.021 176.117 0.259 0.000 1.225 17 I CA -1.322 60.080 61.300 0.171 0.000 0.947 17 I CB 1.944 40.053 38.000 0.181 0.000 1.293 17 I HN 0.232 nan 8.210 nan 0.000 0.468 18 R N 0.097 120.695 120.500 0.164 0.000 2.719 18 R HA 0.520 4.863 4.340 0.004 0.000 0.233 18 R C -0.643 175.647 176.300 -0.016 0.000 1.257 18 R CA -0.517 55.618 56.100 0.059 0.000 1.109 18 R CB 0.584 30.891 30.300 0.011 0.000 1.447 18 R HN 0.582 nan 8.270 nan 0.000 0.537 19 D N 0.334 120.604 120.400 -0.217 0.000 2.162 19 D HA -0.014 4.628 4.640 0.004 0.000 0.203 19 D C 1.804 178.069 176.300 -0.059 0.000 0.967 19 D CA 1.810 55.653 54.000 -0.262 0.000 0.840 19 D CB -0.407 40.193 40.800 -0.333 0.000 0.972 19 D HN 0.640 nan 8.370 nan 0.000 0.482 20 A N 0.972 123.772 122.820 -0.035 0.000 1.978 20 A HA -0.037 4.286 4.320 0.004 0.000 0.220 20 A C 2.156 179.759 177.584 0.031 0.000 1.170 20 A CA 1.823 53.862 52.037 0.004 0.000 0.636 20 A CB -0.607 18.392 19.000 -0.002 0.000 0.810 20 A HN 0.224 nan 8.150 nan 0.000 0.448 21 A N -0.254 122.594 122.820 0.046 0.000 2.235 21 A HA 0.409 4.731 4.320 0.004 0.000 0.208 21 A C 1.345 178.988 177.584 0.098 0.000 1.172 21 A CA 0.586 52.663 52.037 0.068 0.000 0.786 21 A CB -0.933 18.111 19.000 0.073 0.000 0.804 21 A HN 0.719 nan 8.150 nan 0.000 0.479 22 G N -0.973 107.900 108.800 0.121 0.000 2.360 22 G HA2 0.539 4.501 3.960 0.004 0.000 0.279 22 G HA3 0.539 4.501 3.960 0.004 0.000 0.279 22 G C -0.473 174.491 174.900 0.106 0.000 1.189 22 G CA 0.623 45.816 45.100 0.154 0.000 0.941 22 G HN 1.393 nan 8.290 nan 0.000 0.445 23 L N 1.417 122.694 121.223 0.089 0.000 2.338 23 L HA 0.745 5.088 4.340 0.004 0.000 0.264 23 L C -0.460 176.441 176.870 0.053 0.000 1.502 23 L CA -0.827 54.054 54.840 0.067 0.000 0.751 23 L CB -0.627 41.464 42.059 0.054 0.000 0.926 23 L HN 0.719 nan 8.230 nan 0.000 0.528 24 E N -0.261 119.971 120.200 0.053 0.000 2.445 24 E HA 0.780 5.132 4.350 0.004 0.000 0.279 24 E C 0.459 177.073 176.600 0.023 0.000 1.018 24 E CA -0.257 56.162 56.400 0.033 0.000 0.816 24 E CB 2.208 31.924 29.700 0.026 0.000 1.356 24 E HN 0.565 nan 8.360 nan 0.000 0.462 25 G N 1.141 109.947 108.800 0.009 0.000 4.757 25 G HA2 0.322 4.285 3.960 0.004 0.000 0.303 25 G HA3 0.322 4.285 3.960 0.004 0.000 0.303 25 G C -0.462 174.430 174.900 -0.013 0.000 1.318 25 G CA -0.191 44.908 45.100 -0.002 0.000 1.020 25 G HN 0.059 nan 8.290 nan 0.000 0.589 26 K N -0.296 120.094 120.400 -0.017 0.000 2.349 26 K HA 0.546 4.869 4.320 0.004 0.000 0.243 26 K C -0.474 176.097 176.600 -0.048 0.000 1.058 26 K CA -1.009 55.262 56.287 -0.026 0.000 0.871 26 K CB 1.968 34.457 32.500 -0.019 0.000 1.337 26 K HN -0.003 nan 8.250 nan 0.000 0.469 27 L N 1.488 122.680 121.223 -0.051 0.000 2.426 27 L HA 0.241 4.584 4.340 0.004 0.000 0.271 27 L C -0.519 176.289 176.870 -0.104 0.000 1.169 27 L CA -0.171 54.625 54.840 -0.073 0.000 0.836 27 L CB 0.696 42.722 42.059 -0.055 0.000 1.112 27 L HN 0.224 nan 8.230 nan 0.000 0.465 28 V N 1.876 121.686 119.914 -0.173 0.000 2.932 28 V HA 0.379 4.501 4.120 0.004 0.000 0.307 28 V C -0.486 175.395 176.094 -0.355 0.000 1.147 28 V CA -0.513 61.622 62.300 -0.276 0.000 0.951 28 V CB 2.771 34.348 31.823 -0.409 0.000 1.031 28 V HN 0.761 nan 8.190 nan 0.000 0.426 29 T N 4.991 119.368 114.554 -0.295 0.000 2.779 29 T HA 0.699 5.051 4.350 0.004 0.000 0.280 29 T C -0.989 173.607 174.700 -0.174 0.000 0.987 29 T CA -0.132 61.836 62.100 -0.219 0.000 0.966 29 T CB 0.668 69.492 68.868 -0.074 0.000 0.933 29 T HN 0.261 nan 8.240 nan 0.000 0.442 30 F N 2.006 121.966 119.950 0.017 0.000 2.470 30 F HA 0.610 5.139 4.527 0.004 0.000 0.329 30 F C 0.633 176.427 175.800 -0.010 0.000 1.072 30 F CA -1.559 56.447 58.000 0.011 0.000 0.989 30 F CB 1.395 40.409 39.000 0.023 0.000 1.193 30 F HN 0.245 nan 8.300 nan 0.000 0.481 31 K N 0.872 121.385 120.400 0.187 0.000 2.345 31 K HA 0.790 5.113 4.320 0.004 0.000 0.255 31 K C -0.104 176.471 176.600 -0.042 0.000 0.934 31 K CA -0.684 55.614 56.287 0.020 0.000 0.801 31 K CB 2.249 34.738 32.500 -0.018 0.000 1.137 31 K HN 0.877 nan 8.250 nan 0.000 0.424 32 G N 1.632 110.314 108.800 -0.195 0.000 2.348 32 G HA2 0.249 4.212 3.960 0.004 0.000 0.296 32 G HA3 0.249 4.212 3.960 0.004 0.000 0.296 32 G C -1.911 172.795 174.900 -0.322 0.000 1.258 32 G CA -0.821 44.182 45.100 -0.162 0.000 0.868 32 G HN 0.404 nan 8.290 nan 0.000 0.488 33 W N -0.143 121.182 121.300 0.041 0.000 2.799 33 W HA 0.610 5.273 4.660 0.004 0.000 0.349 33 W C 0.033 176.617 176.519 0.109 0.000 1.100 33 W CA -0.473 56.916 57.345 0.075 0.000 1.174 33 W CB 2.453 31.958 29.460 0.075 0.000 1.427 33 W HN 0.797 nan 8.180 nan 0.000 0.547 34 A N 2.478 125.486 122.820 0.313 0.000 2.922 34 A HA 0.100 4.422 4.320 0.004 0.000 0.298 34 A C 0.545 178.298 177.584 0.283 0.000 1.588 34 A CA -0.280 51.895 52.037 0.231 0.000 1.288 34 A CB -0.733 18.338 19.000 0.119 0.000 1.130 34 A HN 0.627 nan 8.150 nan 0.000 0.557 35 Y N 1.797 122.239 120.300 0.235 0.000 2.081 35 Y HA -0.196 4.357 4.550 0.005 0.000 0.280 35 Y C 1.012 177.055 175.900 0.238 0.000 1.163 35 Y CA 2.586 60.834 58.100 0.246 0.000 1.135 35 Y CB -0.107 38.554 38.460 0.335 0.000 0.970 35 Y HN 0.666 nan 8.280 nan 0.000 0.498 36 H N -0.460 118.582 119.070 -0.047 0.000 2.894 36 H HA 0.458 5.016 4.556 0.004 0.000 0.367 36 H C -1.566 173.764 175.328 0.003 0.000 1.144 36 H CA -0.824 55.130 56.048 -0.157 0.000 1.180 36 H CB 1.339 30.938 29.762 -0.271 0.000 1.758 36 H HN 0.109 nan 8.280 nan 0.000 0.541 37 I N 4.585 124.809 120.570 -0.577 0.000 2.478 37 I HA 0.304 4.476 4.170 0.004 0.000 0.287 37 I C -0.140 175.758 176.117 -0.364 0.000 1.042 37 I CA -0.650 60.471 61.300 -0.297 0.000 1.067 37 I CB 2.180 40.076 38.000 -0.174 0.000 1.233 37 I HN 0.288 nan 8.210 nan 0.000 0.431 38 R N 6.173 126.634 120.500 -0.065 0.000 2.246 38 R HA 0.368 4.710 4.340 0.004 0.000 0.332 38 R C -0.578 175.782 176.300 0.101 0.000 0.974 38 R CA -0.652 55.479 56.100 0.053 0.000 0.837 38 R CB 0.900 31.312 30.300 0.187 0.000 1.145 38 R HN 0.544 nan 8.270 nan 0.000 0.467 39 K N 3.871 124.293 120.400 0.037 0.000 3.001 39 K HA 0.146 4.469 4.320 0.004 0.000 0.257 39 K C 1.024 177.661 176.600 0.062 0.000 1.290 39 K CA -0.072 56.232 56.287 0.029 0.000 1.252 39 K CB 0.881 33.378 32.500 -0.005 0.000 1.656 39 K HN 0.667 nan 8.250 nan 0.000 0.351 40 A N 1.155 124.055 122.820 0.134 0.000 1.927 40 A HA -0.196 4.127 4.320 0.004 0.000 0.220 40 A C 1.258 178.894 177.584 0.087 0.000 1.185 40 A CA 1.553 53.676 52.037 0.143 0.000 0.639 40 A CB -0.045 19.116 19.000 0.268 0.000 0.820 40 A HN 0.422 nan 8.150 nan 0.000 0.451 41 R N -2.715 117.820 120.500 0.058 0.000 2.836 41 R HA 0.514 4.857 4.340 0.004 0.000 0.269 41 R C 0.524 176.818 176.300 -0.009 0.000 1.010 41 R CA -0.463 55.651 56.100 0.022 0.000 0.930 41 R CB 0.765 31.077 30.300 0.021 0.000 1.218 41 R HN 0.088 nan 8.270 nan 0.000 0.473 42 K N -0.506 119.883 120.400 -0.018 0.000 2.103 42 K HA -0.118 4.204 4.320 0.004 0.000 0.207 42 K C 0.799 177.365 176.600 -0.057 0.000 1.048 42 K CA 1.938 58.208 56.287 -0.028 0.000 0.930 42 K CB 0.052 32.537 32.500 -0.024 0.000 0.716 42 K HN 0.479 nan 8.250 nan 0.000 0.444 43 T N 0.098 114.593 114.554 -0.098 0.000 3.134 43 T HA 0.204 4.556 4.350 0.004 0.000 0.260 43 T C -0.958 173.593 174.700 -0.247 0.000 1.027 43 T CA -0.271 61.718 62.100 -0.185 0.000 0.913 43 T CB 0.129 68.847 68.868 -0.249 0.000 1.046 43 T HN -0.062 nan 8.240 nan 0.000 0.553 44 L N 1.825 122.962 121.223 -0.143 0.000 2.528 44 L HA 0.633 4.976 4.340 0.004 0.000 0.267 44 L C -1.766 175.017 176.870 -0.146 0.000 0.961 44 L CA -0.658 54.099 54.840 -0.139 0.000 0.866 44 L CB 1.614 43.646 42.059 -0.046 0.000 1.248 44 L HN 0.064 nan 8.230 nan 0.000 0.404 45 I N 4.993 125.421 120.570 -0.237 0.000 2.478 45 I HA 0.369 4.542 4.170 0.004 0.000 0.287 45 I C -1.070 174.882 176.117 -0.276 0.000 1.042 45 I CA -0.403 60.783 61.300 -0.190 0.000 1.067 45 I CB 1.605 39.492 38.000 -0.187 0.000 1.233 45 I HN 0.390 nan 8.210 nan 0.000 0.431 46 F N 5.673 125.609 119.950 -0.023 0.000 2.411 46 F HA 0.484 5.013 4.527 0.004 0.000 0.350 46 F C 0.153 175.948 175.800 -0.008 0.000 1.114 46 F CA -0.637 57.368 58.000 0.009 0.000 1.135 46 F CB 1.529 40.565 39.000 0.060 0.000 1.120 46 F HN 0.033 nan 8.300 nan 0.000 0.495 47 V N 3.581 123.589 119.914 0.158 0.000 2.444 47 V HA 0.300 4.423 4.120 0.004 0.000 0.294 47 V C -0.494 175.718 176.094 0.197 0.000 1.022 47 V CA -0.956 61.407 62.300 0.104 0.000 0.850 47 V CB 1.582 33.389 31.823 -0.026 0.000 0.992 47 V HN 0.505 nan 8.190 nan 0.000 0.426 48 E N 4.353 124.704 120.200 0.252 0.000 1.963 48 E HA 0.311 4.663 4.350 0.004 0.000 0.274 48 E C -0.581 176.229 176.600 0.349 0.000 1.061 48 E CA -0.552 56.047 56.400 0.332 0.000 0.847 48 E CB 1.841 31.793 29.700 0.421 0.000 1.083 48 E HN 0.465 nan 8.360 nan 0.000 0.402 49 L N 2.920 124.304 121.223 0.268 0.000 2.349 49 L HA 0.244 4.586 4.340 0.004 0.000 0.275 49 L C 0.239 177.181 176.870 0.121 0.000 1.115 49 L CA 0.050 55.010 54.840 0.201 0.000 0.820 49 L CB 0.631 42.781 42.059 0.152 0.000 1.135 49 L HN 0.337 nan 8.230 nan 0.000 0.445 50 R N 3.042 123.584 120.500 0.070 0.000 2.562 50 R HA 0.374 4.717 4.340 0.004 0.000 0.298 50 R C -0.767 175.511 176.300 -0.037 0.000 0.961 50 R CA -0.384 55.558 56.100 -0.263 0.000 0.881 50 R CB 1.041 31.174 30.300 -0.279 0.000 1.159 50 R HN 0.804 nan 8.270 nan 0.000 0.450 51 D N 2.686 122.983 120.400 -0.171 0.000 2.539 51 D HA 0.157 4.799 4.640 0.004 0.000 0.232 51 D C 0.924 177.206 176.300 -0.031 0.000 1.256 51 D CA 0.455 54.465 54.000 0.016 0.000 0.810 51 D CB 0.874 41.646 40.800 -0.048 0.000 1.090 51 D HN 0.806 nan 8.370 nan 0.000 0.519 52 G N 0.364 109.062 108.800 -0.171 0.000 2.299 52 G HA2 -0.369 3.593 3.960 0.004 0.000 0.237 52 G HA3 -0.369 3.593 3.960 0.004 0.000 0.237 52 G C 1.370 176.193 174.900 -0.129 0.000 1.027 52 G CA 0.525 45.539 45.100 -0.144 0.000 0.619 52 G HN 0.369 nan 8.290 nan 0.000 0.513 53 S N 0.129 115.754 115.700 -0.126 0.000 2.388 53 S HA 0.507 4.980 4.470 0.004 0.000 0.223 53 S C 1.297 175.837 174.600 -0.101 0.000 1.034 53 S CA 1.685 59.828 58.200 -0.095 0.000 0.963 53 S CB 0.364 63.515 63.200 -0.083 0.000 0.827 53 S HN 1.915 nan 8.310 nan 0.000 0.481 54 G N -0.906 107.788 108.800 -0.177 0.000 2.510 54 G HA2 0.573 4.535 3.960 0.004 0.000 0.277 54 G HA3 0.573 4.535 3.960 0.004 0.000 0.277 54 G C -2.031 172.696 174.900 -0.289 0.000 1.223 54 G CA -0.797 44.236 45.100 -0.111 0.000 0.887 54 G HN 0.192 nan 8.290 nan 0.000 0.485 55 Y N -1.675 118.572 120.300 -0.089 0.000 2.633 55 Y HA 0.717 5.269 4.550 0.004 0.000 0.339 55 Y C 0.037 175.910 175.900 -0.046 0.000 1.045 55 Y CA -0.704 57.359 58.100 -0.062 0.000 1.098 55 Y CB 2.576 41.018 38.460 -0.031 0.000 1.296 55 Y HN 0.709 nan 8.280 nan 0.000 0.494 56 C N 1.456 120.864 119.300 0.180 0.000 3.006 56 C HA 0.326 4.788 4.460 0.004 0.000 0.359 56 C C -1.336 173.807 174.990 0.256 0.000 1.103 56 C CA -0.586 58.547 59.018 0.191 0.000 1.286 56 C CB 1.394 29.211 27.740 0.128 0.000 1.694 56 C HN 0.914 nan 8.230 nan 0.000 0.511 57 Q N 3.288 123.262 119.800 0.290 0.000 2.314 57 Q HA 0.534 4.877 4.340 0.004 0.000 0.257 57 Q C -0.947 175.203 176.000 0.250 0.000 0.975 57 Q CA -0.045 55.937 55.803 0.298 0.000 0.933 57 Q CB 0.508 29.462 28.738 0.361 0.000 1.195 57 Q HN 0.864 nan 8.270 nan 0.000 0.426 58 C N 4.997 124.421 119.300 0.205 0.000 2.281 58 C HA 0.474 4.936 4.460 0.004 0.000 0.323 58 C C -0.020 174.988 174.990 0.031 0.000 1.270 58 C CA -1.155 57.931 59.018 0.113 0.000 1.559 58 C CB -0.163 27.631 27.740 0.090 0.000 2.239 58 C HN 0.677 nan 8.230 nan 0.000 0.488 59 V N 2.775 122.672 119.914 -0.028 0.000 2.432 59 V HA 0.621 4.743 4.120 0.004 0.000 0.275 59 V C -0.332 175.670 176.094 -0.154 0.000 1.043 59 V CA -0.139 62.042 62.300 -0.198 0.000 0.925 59 V CB 0.768 32.461 31.823 -0.217 0.000 0.985 59 V HN 0.739 nan 8.190 nan 0.000 0.466 60 I N 6.361 126.806 120.570 -0.209 0.000 2.354 60 I HA 0.500 4.672 4.170 0.004 0.000 0.286 60 I C -0.746 175.354 176.117 -0.028 0.000 1.007 60 I CA -0.113 61.115 61.300 -0.119 0.000 1.167 60 I CB 1.272 39.121 38.000 -0.251 0.000 1.320 60 I HN 0.705 nan 8.210 nan 0.000 0.458 61 F N 5.110 125.000 119.950 -0.099 0.000 2.551 61 F HA 0.840 5.370 4.527 0.004 0.000 0.316 61 F C 0.179 175.966 175.800 -0.022 0.000 1.089 61 F CA -0.102 57.852 58.000 -0.077 0.000 0.915 61 F CB 2.148 41.096 39.000 -0.087 0.000 1.186 61 F HN 0.537 nan 8.300 nan 0.000 0.456 62 G N 2.542 111.085 108.800 -0.429 0.000 2.627 62 G HA2 0.307 4.269 3.960 0.004 0.000 0.680 62 G HA3 0.307 4.269 3.960 0.004 0.000 0.680 62 G C -0.246 174.549 174.900 -0.174 0.000 1.341 62 G CA -0.243 44.737 45.100 -0.199 0.000 0.835 62 G HN 1.035 nan 8.290 nan 0.000 0.643 63 K N 0.454 120.771 120.400 -0.138 0.000 2.147 63 K HA -0.029 4.294 4.320 0.004 0.000 0.205 63 K C 2.155 178.730 176.600 -0.042 0.000 1.049 63 K CA 2.284 58.516 56.287 -0.092 0.000 0.936 63 K CB -0.582 31.875 32.500 -0.071 0.000 0.722 63 K HN 0.887 nan 8.250 nan 0.000 0.446 64 E N 0.547 120.733 120.200 -0.023 0.000 2.112 64 E HA -0.031 4.321 4.350 0.004 0.000 0.190 64 E C 2.117 178.723 176.600 0.011 0.000 0.979 64 E CA 0.788 57.181 56.400 -0.011 0.000 0.814 64 E CB -0.380 29.313 29.700 -0.012 0.000 0.762 64 E HN 0.513 nan 8.360 nan 0.000 0.460 65 L N 0.588 121.844 121.223 0.055 0.000 2.201 65 L HA -0.045 4.297 4.340 0.004 0.000 0.212 65 L C 1.003 178.045 176.870 0.286 0.000 1.105 65 L CA 0.500 55.444 54.840 0.173 0.000 0.775 65 L CB 0.041 42.234 42.059 0.224 0.000 0.913 65 L HN 0.119 nan 8.230 nan 0.000 0.440 66 C N 0.720 120.108 119.300 0.145 0.000 2.683 66 C HA 0.240 4.703 4.460 0.004 0.000 0.371 66 C C 0.479 175.524 174.990 0.091 0.000 1.330 66 C CA -1.220 57.889 59.018 0.152 0.000 1.664 66 C CB -1.351 26.409 27.740 0.033 0.000 2.051 66 C HN 0.257 nan 8.230 nan 0.000 0.544 67 E N 2.335 122.589 120.200 0.091 0.000 2.366 67 E HA 0.046 4.398 4.350 0.004 0.000 0.266 67 E C -1.455 175.177 176.600 0.054 0.000 1.015 67 E CA -0.986 55.434 56.400 0.035 0.000 0.906 67 E CB 1.045 30.736 29.700 -0.015 0.000 0.979 67 E HN 0.305 nan 8.360 nan 0.000 0.443 68 P HA -0.211 nan 4.420 nan 0.000 0.216 68 P C 0.835 178.156 177.300 0.035 0.000 1.150 68 P CA 1.203 64.322 63.100 0.031 0.000 0.843 68 P CB 0.320 32.028 31.700 0.014 0.000 0.787 69 E N -0.776 119.436 120.200 0.019 0.000 2.216 69 E HA -0.110 4.243 4.350 0.004 0.000 0.192 69 E C 1.905 178.516 176.600 0.019 0.000 0.988 69 E CA 0.812 57.219 56.400 0.013 0.000 0.834 69 E CB -0.205 29.492 29.700 -0.006 0.000 0.772 69 E HN 0.330 nan 8.360 nan 0.000 0.479 70 K N 0.764 121.174 120.400 0.017 0.000 2.098 70 K HA -0.018 4.305 4.320 0.004 0.000 0.203 70 K C 2.022 178.733 176.600 0.186 0.000 1.051 70 K CA 0.504 56.794 56.287 0.005 0.000 0.957 70 K CB 0.319 32.728 32.500 -0.151 0.000 0.738 70 K HN -0.104 nan 8.250 nan 0.000 0.447 71 V N 1.964 122.025 119.914 0.245 0.000 2.626 71 V HA -0.193 3.929 4.120 0.004 0.000 0.252 71 V C 2.273 178.455 176.094 0.147 0.000 1.067 71 V CA 1.539 64.002 62.300 0.273 0.000 1.081 71 V CB -0.424 31.506 31.823 0.178 0.000 0.686 71 V HN 0.374 nan 8.190 nan 0.000 0.468 72 K N 0.274 120.734 120.400 0.099 0.000 2.127 72 K HA -0.199 4.124 4.320 0.004 0.000 0.208 72 K C 1.908 178.550 176.600 0.071 0.000 1.047 72 K CA 1.683 58.008 56.287 0.065 0.000 0.927 72 K CB -0.166 32.361 32.500 0.045 0.000 0.716 72 K HN 0.453 nan 8.250 nan 0.000 0.450 73 L N 0.814 122.093 121.223 0.094 0.000 2.418 73 L HA 0.043 4.385 4.340 0.004 0.000 0.218 73 L C 0.694 177.637 176.870 0.120 0.000 1.125 73 L CA -0.431 54.465 54.840 0.093 0.000 0.835 73 L CB -0.106 42.003 42.059 0.083 0.000 0.953 73 L HN 0.175 nan 8.230 nan 0.000 0.454 74 L N 1.862 123.181 121.223 0.160 0.000 2.433 74 L HA 0.250 4.593 4.340 0.004 0.000 0.275 74 L C 0.191 177.091 176.870 0.050 0.000 1.128 74 L CA 0.622 55.535 54.840 0.122 0.000 0.875 74 L CB 0.185 42.289 42.059 0.075 0.000 1.171 74 L HN 0.142 nan 8.230 nan 0.000 0.463 75 T N 2.186 116.767 114.554 0.046 0.000 2.787 75 T HA 0.444 4.797 4.350 0.004 0.000 0.297 75 T C -0.216 174.504 174.700 0.034 0.000 1.221 75 T CA -1.104 61.012 62.100 0.028 0.000 1.006 75 T CB 0.757 69.650 68.868 0.042 0.000 1.328 75 T HN 0.670 nan 8.240 nan 0.000 0.509 76 R N 0.779 121.290 120.500 0.017 0.000 2.522 76 R HA 0.165 4.507 4.340 0.004 0.000 0.284 76 R C -0.052 176.307 176.300 0.098 0.000 1.032 76 R CA 0.433 56.551 56.100 0.030 0.000 1.049 76 R CB -0.164 30.132 30.300 -0.007 0.000 0.956 76 R HN 0.790 nan 8.270 nan 0.000 0.422 77 E N 0.603 120.902 120.200 0.164 0.000 3.286 77 E HA -0.219 4.134 4.350 0.004 0.000 0.292 77 E C -0.156 176.639 176.600 0.325 0.000 0.928 77 E CA 1.189 57.743 56.400 0.257 0.000 0.982 77 E CB -2.212 27.597 29.700 0.181 0.000 1.500 77 E HN 0.755 nan 8.360 nan 0.000 0.441 78 C N 0.032 119.470 119.300 0.230 0.000 2.520 78 C HA 0.743 5.206 4.460 0.004 0.000 0.376 78 C C 1.265 176.309 174.990 0.090 0.000 1.268 78 C CA -0.173 58.950 59.018 0.174 0.000 2.414 78 C CB 1.229 29.035 27.740 0.110 0.000 2.521 78 C HN 0.395 nan 8.230 nan 0.000 0.618 79 S N 2.118 117.764 115.700 -0.091 0.000 2.508 79 S HA 0.781 5.254 4.470 0.004 0.000 0.284 79 S C -0.898 173.558 174.600 -0.239 0.000 1.192 79 S CA -0.576 57.340 58.200 -0.474 0.000 1.070 79 S CB 0.543 63.339 63.200 -0.673 0.000 1.004 79 S HN 0.780 nan 8.310 nan 0.000 0.493 80 L N 1.611 122.688 121.223 -0.243 0.000 2.370 80 L HA 0.582 4.925 4.340 0.004 0.000 0.266 80 L C -0.232 176.607 176.870 -0.051 0.000 1.002 80 L CA -0.548 54.260 54.840 -0.053 0.000 0.818 80 L CB 2.197 44.274 42.059 0.030 0.000 1.325 80 L HN 0.819 nan 8.230 nan 0.000 0.418 81 E N 3.185 123.400 120.200 0.025 0.000 2.102 81 E HA 0.490 4.842 4.350 0.004 0.000 0.263 81 E C -1.374 175.290 176.600 0.106 0.000 0.894 81 E CA -0.406 56.018 56.400 0.040 0.000 0.746 81 E CB 0.905 30.613 29.700 0.013 0.000 1.129 81 E HN 0.444 nan 8.360 nan 0.000 0.416 82 I N 3.824 124.463 120.570 0.114 0.000 2.378 82 I HA 0.279 4.452 4.170 0.004 0.000 0.291 82 I C -0.295 175.843 176.117 0.035 0.000 0.992 82 I CA -0.648 60.729 61.300 0.129 0.000 1.154 82 I CB 2.073 40.154 38.000 0.136 0.000 1.315 82 I HN 0.403 nan 8.210 nan 0.000 0.448 83 T N 4.482 119.056 114.554 0.033 0.000 2.812 83 T HA 0.762 5.115 4.350 0.004 0.000 0.282 83 T C 0.018 174.696 174.700 -0.037 0.000 0.990 83 T CA -0.633 61.443 62.100 -0.041 0.000 0.960 83 T CB 1.803 70.659 68.868 -0.020 0.000 0.948 83 T HN 0.953 nan 8.240 nan 0.000 0.438 84 G N 1.758 110.497 108.800 -0.102 0.000 2.441 84 G HA2 0.514 4.477 3.960 0.004 0.000 0.294 84 G HA3 0.514 4.477 3.960 0.004 0.000 0.294 84 G C -1.779 173.058 174.900 -0.104 0.000 1.393 84 G CA -1.012 44.044 45.100 -0.074 0.000 0.796 84 G HN 0.661 nan 8.290 nan 0.000 0.494 85 R N 0.313 120.771 120.500 -0.070 0.000 2.229 85 R HA 0.503 4.845 4.340 0.004 0.000 0.328 85 R C -0.387 175.876 176.300 -0.063 0.000 1.009 85 R CA -0.620 55.440 56.100 -0.067 0.000 0.864 85 R CB 0.439 30.709 30.300 -0.049 0.000 1.085 85 R HN 0.373 nan 8.270 nan 0.000 0.453 86 L N 5.299 126.488 121.223 -0.057 0.000 2.407 86 L HA 0.177 4.520 4.340 0.004 0.000 0.282 86 L C -0.144 176.705 176.870 -0.036 0.000 1.110 86 L CA -0.222 54.601 54.840 -0.028 0.000 0.863 86 L CB 0.270 42.338 42.059 0.014 0.000 1.207 86 L HN 0.606 nan 8.230 nan 0.000 0.454 87 N N 1.881 120.538 118.700 -0.072 0.000 2.477 87 N HA 0.580 5.323 4.740 0.004 0.000 0.284 87 N C -0.172 175.265 175.510 -0.123 0.000 1.182 87 N CA -0.537 52.459 53.050 -0.090 0.000 0.949 87 N CB 1.631 40.052 38.487 -0.111 0.000 1.204 87 N HN 0.532 nan 8.380 nan 0.000 0.526 88 A N 0.460 123.232 122.820 -0.080 0.000 2.340 88 A HA 0.311 4.634 4.320 0.004 0.000 0.268 88 A C -0.811 176.723 177.584 -0.083 0.000 1.100 88 A CA -0.219 51.797 52.037 -0.034 0.000 0.803 88 A CB -0.236 18.774 19.000 0.017 0.000 1.043 88 A HN 0.607 nan 8.150 nan 0.000 0.488 89 Y N 1.671 121.988 120.300 0.028 0.000 2.584 89 Y HA 0.342 4.894 4.550 0.004 0.000 0.351 89 Y C 1.179 177.073 175.900 -0.010 0.000 1.030 89 Y CA 0.834 58.942 58.100 0.013 0.000 1.332 89 Y CB 0.323 38.807 38.460 0.039 0.000 1.148 89 Y HN 0.839 nan 8.280 nan 0.000 0.528 90 A N 2.840 125.704 122.820 0.072 0.000 2.325 90 A HA 0.326 4.648 4.320 0.004 0.000 0.260 90 A C 1.827 179.408 177.584 -0.005 0.000 1.133 90 A CA 0.158 52.208 52.037 0.023 0.000 0.801 90 A CB -0.364 18.629 19.000 -0.012 0.000 1.092 90 A HN 0.938 nan 8.150 nan 0.000 0.504 91 G N -0.450 108.347 108.800 -0.005 0.000 2.469 91 G HA2 -0.213 3.749 3.960 0.004 0.000 0.219 91 G HA3 -0.213 3.749 3.960 0.004 0.000 0.219 91 G C 1.444 176.285 174.900 -0.097 0.000 1.150 91 G CA 1.297 46.395 45.100 -0.004 0.000 0.763 91 G HN 0.649 nan 8.290 nan 0.000 0.561 92 K N 1.329 121.666 120.400 -0.106 0.000 1.963 92 K HA -0.059 4.263 4.320 0.004 0.000 0.216 92 K C 1.141 177.558 176.600 -0.306 0.000 1.045 92 K CA 0.973 57.185 56.287 -0.125 0.000 0.954 92 K CB -0.822 31.643 32.500 -0.058 0.000 0.732 92 K HN 0.549 nan 8.250 nan 0.000 0.442 93 N N 1.584 120.129 118.700 -0.258 0.000 2.456 93 N HA 0.079 4.821 4.740 0.004 0.000 0.296 93 N C -0.417 174.909 175.510 -0.308 0.000 1.102 93 N CA -0.223 52.677 53.050 -0.250 0.000 0.924 93 N CB 1.186 39.669 38.487 -0.005 0.000 1.186 93 N HN 0.128 nan 8.380 nan 0.000 0.492 94 H N -0.749 118.355 119.070 0.056 0.000 2.754 94 H HA 0.502 5.061 4.556 0.004 0.000 0.352 94 H C -2.162 172.907 175.328 -0.431 0.000 1.213 94 H CA -1.472 54.483 56.048 -0.154 0.000 1.244 94 H CB 1.037 30.710 29.762 -0.148 0.000 1.843 94 H HN 0.423 nan 8.280 nan 0.000 0.587 95 P HA 0.047 nan 4.420 nan 0.000 0.270 95 P C -2.265 174.914 177.300 -0.202 0.000 1.223 95 P CA -0.882 61.812 63.100 -0.677 0.000 0.785 95 P CB -0.330 30.999 31.700 -0.618 0.000 0.923 96 P HA 0.141 nan 4.420 nan 0.000 0.274 96 P C -0.404 176.842 177.300 -0.090 0.000 1.237 96 P CA -0.137 62.926 63.100 -0.061 0.000 0.793 96 P CB 0.435 32.130 31.700 -0.009 0.000 0.977 97 E N 1.326 121.470 120.200 -0.094 0.000 1.775 97 E HA 0.257 4.609 4.350 0.004 0.000 0.266 97 E C -0.663 175.863 176.600 -0.123 0.000 1.191 97 E CA 0.204 56.542 56.400 -0.104 0.000 1.048 97 E CB -1.280 28.363 29.700 -0.095 0.000 1.081 97 E HN 0.285 nan 8.360 nan 0.000 0.434 98 I N 1.995 122.472 120.570 -0.155 0.000 2.656 98 I HA 0.428 4.601 4.170 0.004 0.000 0.292 98 I C -0.055 175.915 176.117 -0.245 0.000 1.144 98 I CA -1.481 59.657 61.300 -0.270 0.000 1.038 98 I CB 1.961 39.703 38.000 -0.429 0.000 1.244 98 I HN 0.315 nan 8.210 nan 0.000 0.420 99 A N 3.205 125.872 122.820 -0.256 0.000 2.483 99 A HA 0.209 4.531 4.320 0.004 0.000 0.238 99 A C 0.499 178.060 177.584 -0.040 0.000 1.070 99 A CA 0.300 52.264 52.037 -0.123 0.000 0.770 99 A CB -0.071 18.878 19.000 -0.085 0.000 1.008 99 A HN 0.942 nan 8.150 nan 0.000 0.497 100 D N -1.602 118.820 120.400 0.036 0.000 3.039 100 D HA -0.186 4.457 4.640 0.004 0.000 0.222 100 D C -0.014 176.367 176.300 0.136 0.000 1.179 100 D CA 1.425 55.487 54.000 0.104 0.000 0.880 100 D CB -1.660 39.232 40.800 0.153 0.000 1.115 100 D HN 0.581 nan 8.370 nan 0.000 0.416 101 I N 0.822 121.439 120.570 0.077 0.000 2.648 101 I HA 0.062 4.235 4.170 0.004 0.000 0.284 101 I C 0.282 176.454 176.117 0.092 0.000 1.153 101 I CA -0.363 60.994 61.300 0.096 0.000 1.426 101 I CB 0.459 38.471 38.000 0.020 0.000 1.381 101 I HN 0.047 nan 8.210 nan 0.000 0.571 102 L N 7.795 129.094 121.223 0.128 0.000 2.453 102 L HA 0.177 4.519 4.340 0.004 0.000 0.272 102 L C 0.646 177.641 176.870 0.209 0.000 1.182 102 L CA 0.399 55.325 54.840 0.144 0.000 0.858 102 L CB 0.093 42.243 42.059 0.152 0.000 1.120 102 L HN 0.720 nan 8.230 nan 0.000 0.474 103 N N 4.846 123.657 118.700 0.184 0.000 2.484 103 N HA 0.249 4.992 4.740 0.004 0.000 0.245 103 N C -1.415 174.325 175.510 0.384 0.000 1.184 103 N CA 0.163 53.352 53.050 0.233 0.000 0.884 103 N CB -0.571 37.993 38.487 0.129 0.000 1.182 103 N HN 0.555 nan 8.380 nan 0.000 0.493 104 L N -0.560 120.908 121.223 0.408 0.000 2.472 104 L HA 0.408 4.750 4.340 0.004 0.000 0.260 104 L C -0.303 176.609 176.870 0.069 0.000 0.963 104 L CA -0.850 54.104 54.840 0.190 0.000 0.829 104 L CB 2.579 44.713 42.059 0.125 0.000 1.348 104 L HN 0.058 nan 8.230 nan 0.000 0.408 105 E N 2.358 122.343 120.200 -0.359 0.000 2.214 105 E HA 0.495 4.847 4.350 0.004 0.000 0.274 105 E C -1.194 175.352 176.600 -0.090 0.000 0.977 105 E CA -0.765 55.461 56.400 -0.290 0.000 0.827 105 E CB 2.036 31.364 29.700 -0.620 0.000 1.130 105 E HN 0.537 nan 8.360 nan 0.000 0.394 106 M N 3.685 123.293 119.600 0.013 0.000 2.129 106 M HA 0.201 4.683 4.480 0.004 0.000 0.348 106 M C -0.950 175.337 176.300 -0.021 0.000 1.116 106 M CA -0.505 54.801 55.300 0.010 0.000 1.022 106 M CB 1.216 33.857 32.600 0.069 0.000 1.599 106 M HN 0.370 nan 8.290 nan 0.000 0.449 107 Q N 4.320 124.094 119.800 -0.044 0.000 2.361 107 Q HA 0.266 4.608 4.340 0.004 0.000 0.250 107 Q C -0.951 175.039 176.000 -0.017 0.000 1.023 107 Q CA -0.233 55.545 55.803 -0.040 0.000 0.915 107 Q CB 1.081 29.787 28.738 -0.055 0.000 1.238 107 Q HN 0.627 nan 8.270 nan 0.000 0.451 108 V N 3.173 123.089 119.914 0.003 0.000 2.572 108 V HA 0.001 4.124 4.120 0.004 0.000 0.291 108 V C 1.647 177.782 176.094 0.069 0.000 1.039 108 V CA 0.578 62.899 62.300 0.036 0.000 1.055 108 V CB 0.885 32.734 31.823 0.044 0.000 0.969 108 V HN 0.876 nan 8.190 nan 0.000 0.482 109 T N 1.167 115.758 114.554 0.062 0.000 3.021 109 T HA 0.186 4.539 4.350 0.004 0.000 0.245 109 T C 0.369 175.123 174.700 0.089 0.000 1.028 109 T CA 0.466 62.601 62.100 0.059 0.000 1.139 109 T CB 0.165 69.045 68.868 0.020 0.000 0.884 109 T HN 0.826 nan 8.240 nan 0.000 0.457 110 E N -0.187 120.081 120.200 0.113 0.000 2.430 110 E HA 0.553 4.906 4.350 0.004 0.000 0.279 110 E C -1.612 175.132 176.600 0.240 0.000 1.003 110 E CA -1.468 55.004 56.400 0.120 0.000 0.801 110 E CB 1.349 31.050 29.700 0.002 0.000 1.313 110 E HN 0.533 nan 8.360 nan 0.000 0.459 111 W N 0.608 121.895 121.300 -0.022 0.000 3.275 111 W HA 0.602 5.265 4.660 0.004 0.000 0.306 111 W C -1.959 174.547 176.519 -0.022 0.000 1.259 111 W CA -0.859 56.474 57.345 -0.020 0.000 1.194 111 W CB 0.804 30.259 29.460 -0.010 0.000 1.375 111 W HN 0.840 nan 8.180 nan 0.000 0.564 112 K N 0.598 121.062 120.400 0.108 0.000 2.502 112 K HA 0.659 4.982 4.320 0.004 0.000 0.257 112 K C -1.681 174.990 176.600 0.118 0.000 0.938 112 K CA -0.944 55.320 56.287 -0.040 0.000 0.819 112 K CB 2.402 34.840 32.500 -0.104 0.000 1.333 112 K HN 0.228 nan 8.250 nan 0.000 0.434 113 V N 4.262 124.232 119.914 0.093 0.000 2.427 113 V HA 0.108 4.230 4.120 0.004 0.000 0.268 113 V C 1.208 177.315 176.094 0.021 0.000 1.046 113 V CA -0.248 62.111 62.300 0.099 0.000 0.970 113 V CB 0.373 32.269 31.823 0.123 0.000 1.001 113 V HN 0.763 nan 8.190 nan 0.000 0.476 114 I N 3.464 124.027 120.570 -0.011 0.000 2.296 114 I HA 0.196 4.368 4.170 0.004 0.000 0.242 114 I C 1.396 177.503 176.117 -0.017 0.000 1.087 114 I CA 1.141 62.420 61.300 -0.035 0.000 1.393 114 I CB -0.044 37.906 38.000 -0.082 0.000 1.093 114 I HN 0.709 nan 8.210 nan 0.000 0.421 115 G N 0.760 109.550 108.800 -0.016 0.000 2.530 115 G HA2 0.471 4.433 3.960 0.004 0.000 0.316 115 G HA3 0.471 4.433 3.960 0.004 0.000 0.316 115 G C -0.881 174.050 174.900 0.052 0.000 1.298 115 G CA -0.402 44.714 45.100 0.027 0.000 0.948 115 G HN 0.048 nan 8.290 nan 0.000 0.486 116 E N 0.320 120.557 120.200 0.061 0.000 2.369 116 E HA 0.444 4.796 4.350 0.004 0.000 0.255 116 E C -0.255 176.400 176.600 0.092 0.000 1.172 116 E CA -0.177 56.266 56.400 0.072 0.000 0.932 116 E CB 1.260 30.995 29.700 0.058 0.000 1.040 116 E HN 0.312 nan 8.360 nan 0.000 0.454 117 S N 1.480 117.233 115.700 0.090 0.000 2.571 117 S HA 0.306 4.778 4.470 0.004 0.000 0.238 117 S C -2.707 171.937 174.600 0.073 0.000 1.153 117 S CA -1.542 56.716 58.200 0.097 0.000 1.141 117 S CB 0.544 63.818 63.200 0.122 0.000 1.133 117 S HN 0.157 nan 8.310 nan 0.000 0.464 118 P HA 0.136 nan 4.420 nan 0.000 0.265 118 P C 0.969 178.297 177.300 0.046 0.000 1.187 118 P CA -0.184 62.946 63.100 0.050 0.000 0.766 118 P CB 0.210 31.939 31.700 0.048 0.000 0.820 119 I N -0.346 120.246 120.570 0.036 0.000 3.444 119 I HA -0.031 4.142 4.170 0.004 0.000 0.287 119 I C 0.967 177.100 176.117 0.027 0.000 1.302 119 I CA 0.544 61.861 61.300 0.029 0.000 1.368 119 I CB -0.680 37.333 38.000 0.022 0.000 1.048 119 I HN 0.146 nan 8.210 nan 0.000 0.487 120 D N 1.320 121.738 120.400 0.031 0.000 2.371 120 D HA -0.212 4.431 4.640 0.004 0.000 0.221 120 D C 1.889 178.209 176.300 0.033 0.000 0.986 120 D CA 0.439 54.458 54.000 0.030 0.000 0.899 120 D CB -0.191 40.628 40.800 0.031 0.000 0.902 120 D HN 0.435 nan 8.370 nan 0.000 0.530 121 L N 0.943 122.188 121.223 0.037 0.000 2.043 121 L HA -0.204 4.139 4.340 0.004 0.000 0.212 121 L C 1.824 178.709 176.870 0.025 0.000 1.075 121 L CA 1.863 56.725 54.840 0.037 0.000 0.752 121 L CB -0.608 41.477 42.059 0.044 0.000 0.891 121 L HN -0.111 nan 8.230 nan 0.000 0.432 122 E N -0.156 120.058 120.200 0.022 0.000 2.333 122 E HA -0.164 4.188 4.350 0.004 0.000 0.198 122 E C 1.760 178.369 176.600 0.016 0.000 1.007 122 E CA 0.833 57.243 56.400 0.017 0.000 0.845 122 E CB -0.555 29.154 29.700 0.014 0.000 0.766 122 E HN 0.648 nan 8.360 nan 0.000 0.507 123 N N 0.436 119.147 118.700 0.019 0.000 2.409 123 N HA 0.015 4.757 4.740 0.004 0.000 0.179 123 N C 1.927 177.449 175.510 0.019 0.000 1.032 123 N CA 0.360 53.421 53.050 0.019 0.000 0.898 123 N CB 0.075 38.575 38.487 0.021 0.000 0.971 123 N HN 0.274 nan 8.380 nan 0.000 0.441 124 I N 0.263 120.844 120.570 0.018 0.000 2.233 124 I HA -0.069 4.103 4.170 0.004 0.000 0.243 124 I C 0.266 176.386 176.117 0.005 0.000 1.093 124 I CA 0.951 62.259 61.300 0.014 0.000 1.380 124 I CB 0.119 38.123 38.000 0.006 0.000 1.067 124 I HN -0.077 nan 8.210 nan 0.000 0.413 125 I N 1.477 122.047 120.570 0.001 0.000 2.498 125 I HA 0.314 4.487 4.170 0.004 0.000 0.290 125 I C -0.898 175.225 176.117 0.011 0.000 1.032 125 I CA -0.359 60.944 61.300 0.004 0.000 1.073 125 I CB 1.170 39.168 38.000 -0.003 0.000 1.251 125 I HN 0.316 nan 8.210 nan 0.000 0.426 126 N N 3.156 121.864 118.700 0.013 0.000 3.449 126 N HA 0.398 5.140 4.740 0.004 0.000 0.312 126 N C 0.502 176.019 175.510 0.013 0.000 1.557 126 N CA -0.136 52.922 53.050 0.013 0.000 0.864 126 N CB 0.582 39.076 38.487 0.012 0.000 1.799 126 N HN 0.213 nan 8.380 nan 0.000 0.554 127 K N -0.486 119.920 120.400 0.010 0.000 2.020 127 K HA -0.118 4.205 4.320 0.004 0.000 0.212 127 K C 0.668 177.274 176.600 0.010 0.000 1.050 127 K CA 2.415 58.707 56.287 0.008 0.000 0.929 127 K CB -1.689 30.814 32.500 0.005 0.000 0.714 127 K HN 0.896 nan 8.250 nan 0.000 0.443 128 D N 0.009 120.415 120.400 0.011 0.000 3.071 128 D HA 0.229 4.871 4.640 0.004 0.000 0.259 128 D C -0.764 175.545 176.300 0.014 0.000 1.331 128 D CA -0.375 53.631 54.000 0.011 0.000 0.861 128 D CB 0.201 41.007 40.800 0.010 0.000 1.059 128 D HN 0.133 nan 8.370 nan 0.000 0.486 129 S N 0.440 116.150 115.700 0.016 0.000 2.475 129 S HA 0.397 4.869 4.470 0.004 0.000 0.281 129 S C 0.466 175.079 174.600 0.021 0.000 1.198 129 S CA -0.906 57.306 58.200 0.019 0.000 1.063 129 S CB 0.931 64.143 63.200 0.020 0.000 0.972 129 S HN 0.478 nan 8.310 nan 0.000 0.486 130 S N 3.268 118.981 115.700 0.022 0.000 2.587 130 S HA 0.266 4.739 4.470 0.004 0.000 0.260 130 S C 1.358 175.975 174.600 0.027 0.000 1.353 130 S CA -0.671 57.542 58.200 0.022 0.000 0.995 130 S CB 0.037 63.249 63.200 0.022 0.000 0.912 130 S HN 0.602 nan 8.310 nan 0.000 0.568 131 I N 1.287 121.871 120.570 0.024 0.000 2.179 131 I HA -0.083 4.090 4.170 0.004 0.000 0.242 131 I C -0.730 175.417 176.117 0.049 0.000 1.088 131 I CA 1.026 62.343 61.300 0.029 0.000 1.357 131 I CB -1.599 36.404 38.000 0.005 0.000 1.051 131 I HN 0.505 nan 8.210 nan 0.000 0.409 132 P HA -0.227 nan 4.420 nan 0.000 0.216 132 P C 1.524 178.856 177.300 0.054 0.000 1.153 132 P CA 1.393 64.528 63.100 0.059 0.000 0.858 132 P CB -0.014 31.715 31.700 0.048 0.000 0.789 133 Q N 0.417 120.243 119.800 0.044 0.000 2.124 133 Q HA -0.157 4.185 4.340 0.004 0.000 0.202 133 Q C 1.882 177.910 176.000 0.048 0.000 0.977 133 Q CA 1.881 57.710 55.803 0.042 0.000 0.850 133 Q CB -0.615 28.143 28.738 0.033 0.000 0.901 133 Q HN 0.129 nan 8.270 nan 0.000 0.429 134 K N -1.068 119.362 120.400 0.049 0.000 2.228 134 K HA 0.007 4.329 4.320 0.004 0.000 0.202 134 K C 1.798 178.445 176.600 0.078 0.000 1.051 134 K CA 0.823 57.142 56.287 0.053 0.000 0.960 134 K CB 0.100 32.630 32.500 0.051 0.000 0.743 134 K HN 0.283 nan 8.250 nan 0.000 0.458 135 M N 0.211 119.866 119.600 0.091 0.000 2.248 135 M HA -0.066 4.417 4.480 0.004 0.000 0.265 135 M C 2.144 178.511 176.300 0.111 0.000 1.079 135 M CA 1.411 56.782 55.300 0.117 0.000 1.150 135 M CB -0.513 32.166 32.600 0.132 0.000 1.366 135 M HN 0.021 nan 8.290 nan 0.000 0.433 136 Q N 1.409 121.260 119.800 0.084 0.000 2.124 136 Q HA -0.073 4.269 4.340 0.004 0.000 0.202 136 Q C 0.542 176.617 176.000 0.126 0.000 0.977 136 Q CA 1.365 57.212 55.803 0.074 0.000 0.850 136 Q CB 0.014 28.785 28.738 0.055 0.000 0.901 136 Q HN 0.401 nan 8.270 nan 0.000 0.429 137 N N -0.136 118.642 118.700 0.131 0.000 2.538 137 N HA 0.100 4.842 4.740 0.004 0.000 0.291 137 N C 0.181 175.707 175.510 0.026 0.000 1.323 137 N CA -0.032 53.103 53.050 0.140 0.000 0.934 137 N CB 0.379 38.881 38.487 0.026 0.000 1.255 137 N HN 0.209 nan 8.380 nan 0.000 0.509 138 R N 0.950 121.573 120.500 0.206 0.000 2.189 138 R HA -0.114 4.229 4.340 0.004 0.000 0.223 138 R C 2.113 178.552 176.300 0.231 0.000 1.092 138 R CA 1.193 57.419 56.100 0.209 0.000 0.989 138 R CB -0.117 30.369 30.300 0.310 0.000 0.876 138 R HN 0.398 nan 8.270 nan 0.000 0.457 139 H N -0.292 118.937 119.070 0.265 0.000 2.457 139 H HA -0.128 4.430 4.556 0.004 0.000 0.297 139 H C 1.574 176.960 175.328 0.097 0.000 1.092 139 H CA 1.193 57.367 56.048 0.209 0.000 1.309 139 H CB -0.134 29.711 29.762 0.138 0.000 1.382 139 H HN 0.204 nan 8.280 nan 0.000 0.535 140 I N 1.142 121.418 120.570 -0.490 0.000 2.400 140 I HA -0.122 4.050 4.170 0.004 0.000 0.248 140 I C 2.769 178.831 176.117 -0.092 0.000 1.109 140 I CA 0.377 61.510 61.300 -0.279 0.000 1.425 140 I CB -0.841 36.963 38.000 -0.327 0.000 1.094 140 I HN 0.114 nan 8.210 nan 0.000 0.425 141 V N 2.778 122.657 119.914 -0.058 0.000 2.407 141 V HA -0.239 3.884 4.120 0.004 0.000 0.248 141 V C 2.573 178.675 176.094 0.014 0.000 1.055 141 V CA 1.817 64.121 62.300 0.007 0.000 1.049 141 V CB -0.748 31.095 31.823 0.033 0.000 0.662 141 V HN 0.449 nan 8.190 nan 0.000 0.455 142 I N -1.059 119.511 120.570 -0.000 0.000 2.567 142 I HA -0.209 3.963 4.170 0.004 0.000 0.257 142 I C 2.408 178.505 176.117 -0.033 0.000 1.184 142 I CA 1.583 62.865 61.300 -0.030 0.000 1.451 142 I CB -0.611 37.354 38.000 -0.058 0.000 1.089 142 I HN 0.171 nan 8.210 nan 0.000 0.441 143 R N 2.033 122.522 120.500 -0.018 0.000 2.280 143 R HA 0.043 4.385 4.340 0.004 0.000 0.207 143 R C 1.194 177.547 176.300 0.088 0.000 1.043 143 R CA 0.717 56.813 56.100 -0.006 0.000 1.006 143 R CB -0.363 29.933 30.300 -0.007 0.000 0.885 143 R HN 0.617 nan 8.270 nan 0.000 0.467 144 S N 0.664 116.426 115.700 0.104 0.000 2.562 144 S HA -0.034 4.439 4.470 0.004 0.000 0.281 144 S C 1.137 175.792 174.600 0.092 0.000 1.333 144 S CA -0.569 57.738 58.200 0.179 0.000 1.052 144 S CB 1.882 65.171 63.200 0.147 0.000 0.884 144 S HN 0.251 nan 8.310 nan 0.000 0.506 145 E N 1.309 121.541 120.200 0.053 0.000 2.065 145 E HA -0.349 4.004 4.350 0.004 0.000 0.201 145 E C 1.706 178.309 176.600 0.004 0.000 1.016 145 E CA 2.067 58.410 56.400 -0.095 0.000 0.818 145 E CB -0.379 29.188 29.700 -0.220 0.000 0.749 145 E HN 0.990 nan 8.360 nan 0.000 0.453 146 H N -0.202 118.850 119.070 -0.030 0.000 2.321 146 H HA -0.067 4.492 4.556 0.004 0.000 0.300 146 H C 2.024 177.336 175.328 -0.027 0.000 1.087 146 H CA 2.576 58.605 56.048 -0.031 0.000 1.319 146 H CB -0.426 29.326 29.762 -0.016 0.000 1.379 146 H HN 0.092 nan 8.280 nan 0.000 0.501 147 T N 0.593 115.100 114.554 -0.079 0.000 2.777 147 T HA -0.176 4.177 4.350 0.004 0.000 0.266 147 T C 1.932 176.550 174.700 -0.136 0.000 1.040 147 T CA 1.261 63.278 62.100 -0.138 0.000 1.141 147 T CB -0.208 68.639 68.868 -0.034 0.000 0.868 147 T HN 0.434 nan 8.240 nan 0.000 0.444 148 Q N 0.606 120.352 119.800 -0.090 0.000 2.045 148 Q HA -0.225 4.117 4.340 0.004 0.000 0.206 148 Q C 2.367 178.304 176.000 -0.104 0.000 0.991 148 Q CA 1.456 57.206 55.803 -0.089 0.000 0.851 148 Q CB -0.105 28.598 28.738 -0.059 0.000 0.911 148 Q HN 0.388 nan 8.270 nan 0.000 0.418 149 Q N -0.283 119.452 119.800 -0.108 0.000 2.096 149 Q HA -0.125 4.218 4.340 0.004 0.000 0.204 149 Q C 2.243 178.144 176.000 -0.165 0.000 0.982 149 Q CA 1.343 57.075 55.803 -0.120 0.000 0.850 149 Q CB -0.502 28.175 28.738 -0.101 0.000 0.901 149 Q HN 0.309 nan 8.270 nan 0.000 0.422 150 V N 0.964 120.736 119.914 -0.236 0.000 2.427 150 V HA -0.215 3.908 4.120 0.004 0.000 0.248 150 V C 2.382 178.396 176.094 -0.133 0.000 1.051 150 V CA 1.249 63.418 62.300 -0.218 0.000 1.048 150 V CB -0.509 31.136 31.823 -0.297 0.000 0.666 150 V HN 0.247 nan 8.190 nan 0.000 0.456 151 L N -0.747 120.401 121.223 -0.124 0.000 2.072 151 L HA -0.171 4.171 4.340 0.004 0.000 0.205 151 L C 2.663 179.489 176.870 -0.074 0.000 1.079 151 L CA 1.461 56.247 54.840 -0.091 0.000 0.752 151 L CB -0.498 41.501 42.059 -0.101 0.000 0.906 151 L HN 0.345 nan 8.230 nan 0.000 0.436 152 Q N -0.205 119.541 119.800 -0.090 0.000 2.119 152 Q HA -0.159 4.183 4.340 0.004 0.000 0.201 152 Q C 2.364 178.303 176.000 -0.102 0.000 0.972 152 Q CA 1.135 56.886 55.803 -0.087 0.000 0.847 152 Q CB -0.045 28.636 28.738 -0.094 0.000 0.903 152 Q HN 0.497 nan 8.270 nan 0.000 0.433 153 L N 0.290 121.436 121.223 -0.129 0.000 2.017 153 L HA -0.208 4.134 4.340 0.004 0.000 0.208 153 L C 2.669 179.522 176.870 -0.029 0.000 1.073 153 L CA 1.291 56.048 54.840 -0.139 0.000 0.745 153 L CB -0.385 41.589 42.059 -0.143 0.000 0.894 153 L HN 0.183 nan 8.230 nan 0.000 0.432 154 R N -0.445 120.049 120.500 -0.009 0.000 2.103 154 R HA -0.226 4.116 4.340 0.004 0.000 0.242 154 R C 2.467 178.823 176.300 0.093 0.000 1.142 154 R CA 1.918 58.049 56.100 0.052 0.000 0.960 154 R CB -0.363 29.956 30.300 0.032 0.000 0.858 154 R HN 0.177 nan 8.270 nan 0.000 0.439 155 S N -0.060 115.675 115.700 0.058 0.000 2.382 155 S HA -0.122 4.350 4.470 0.004 0.000 0.228 155 S C 1.591 176.283 174.600 0.153 0.000 1.027 155 S CA 1.278 59.529 58.200 0.085 0.000 0.991 155 S CB -0.128 63.089 63.200 0.028 0.000 0.823 155 S HN 0.413 nan 8.310 nan 0.000 0.469 156 E N 0.727 121.014 120.200 0.146 0.000 2.072 156 E HA -0.020 4.333 4.350 0.004 0.000 0.190 156 E C 2.085 178.937 176.600 0.419 0.000 0.982 156 E CA 0.819 57.388 56.400 0.280 0.000 0.803 156 E CB -0.411 29.450 29.700 0.269 0.000 0.755 156 E HN 0.561 nan 8.360 nan 0.000 0.453 157 I N 1.506 122.264 120.570 0.313 0.000 2.208 157 I HA -0.336 3.836 4.170 0.004 0.000 0.245 157 I C 2.576 178.935 176.117 0.404 0.000 1.097 157 I CA 1.370 62.864 61.300 0.323 0.000 1.363 157 I CB -0.197 37.959 38.000 0.258 0.000 1.051 157 I HN 0.099 nan 8.210 nan 0.000 0.413 158 Q N -0.388 119.632 119.800 0.367 0.000 2.079 158 Q HA -0.245 4.097 4.340 0.004 0.000 0.200 158 Q C 2.109 178.305 176.000 0.327 0.000 0.974 158 Q CA 1.789 57.814 55.803 0.370 0.000 0.840 158 Q CB -0.421 28.471 28.738 0.256 0.000 0.898 158 Q HN 0.684 nan 8.270 nan 0.000 0.430 159 W N 0.631 121.986 121.300 0.091 0.000 2.318 159 W HA -0.274 4.386 4.660 0.001 0.000 0.313 159 W C 1.097 177.544 176.519 -0.120 0.000 1.221 159 W CA 1.412 58.717 57.345 -0.066 0.000 1.266 159 W CB -0.323 28.998 29.460 -0.231 0.000 1.150 159 W HN 0.203 nan 8.180 nan 0.000 0.496 160 Y N -0.530 119.772 120.300 0.004 0.000 2.373 160 Y HA -0.150 4.402 4.550 0.003 0.000 0.293 160 Y C 2.334 178.116 175.900 -0.197 0.000 1.129 160 Y CA 1.547 59.544 58.100 -0.171 0.000 1.226 160 Y CB -1.328 37.106 38.460 -0.043 0.000 1.000 160 Y HN -0.177 nan 8.280 nan 0.000 0.549 161 F N 0.243 120.217 119.950 0.039 0.000 2.075 161 F HA -0.200 4.330 4.527 0.006 0.000 0.297 161 F C 2.365 178.146 175.800 -0.032 0.000 1.113 161 F CA 1.520 59.517 58.000 -0.004 0.000 1.218 161 F CB -0.580 38.478 39.000 0.096 0.000 0.984 161 F HN -0.125 nan 8.300 nan 0.000 0.472 162 R N 0.029 120.613 120.500 0.140 0.000 2.091 162 R HA -0.210 4.132 4.340 0.004 0.000 0.238 162 R C 2.233 178.433 176.300 -0.167 0.000 1.136 162 R CA 1.671 57.770 56.100 -0.002 0.000 0.959 162 R CB -0.459 29.822 30.300 -0.032 0.000 0.856 162 R HN 0.239 nan 8.270 nan 0.000 0.437 163 K N 0.056 120.208 120.400 -0.413 0.000 2.097 163 K HA -0.211 4.112 4.320 0.004 0.000 0.206 163 K C 1.996 178.507 176.600 -0.149 0.000 1.049 163 K CA 1.307 57.356 56.287 -0.398 0.000 0.933 163 K CB -0.162 31.995 32.500 -0.571 0.000 0.717 163 K HN 0.149 nan 8.250 nan 0.000 0.442 164 Y N 0.154 120.302 120.300 -0.253 0.000 2.114 164 Y HA -0.300 4.252 4.550 0.004 0.000 0.284 164 Y C 1.662 177.381 175.900 -0.303 0.000 1.143 164 Y CA 1.854 59.777 58.100 -0.297 0.000 1.135 164 Y CB -0.351 37.846 38.460 -0.440 0.000 0.980 164 Y HN 0.068 nan 8.280 nan 0.000 0.499 165 Y N -1.022 119.201 120.300 -0.127 0.000 2.274 165 Y HA -0.212 4.342 4.550 0.006 0.000 0.290 165 Y C 2.634 178.481 175.900 -0.088 0.000 1.145 165 Y CA 1.908 59.825 58.100 -0.305 0.000 1.203 165 Y CB -1.027 36.862 38.460 -0.950 0.000 0.984 165 Y HN 0.358 nan 8.280 nan 0.000 0.533 166 H N -0.158 118.884 119.070 -0.046 0.000 2.357 166 H HA -0.108 4.449 4.556 0.003 0.000 0.301 166 H C 1.546 176.741 175.328 -0.223 0.000 1.082 166 H CA 1.913 57.926 56.048 -0.059 0.000 1.342 166 H CB -0.029 29.686 29.762 -0.078 0.000 1.389 166 H HN 0.127 nan 8.280 nan 0.000 0.511 167 D N -0.303 119.983 120.400 -0.189 0.000 2.178 167 D HA -0.102 4.541 4.640 0.004 0.000 0.202 167 D C 0.991 177.029 176.300 -0.436 0.000 0.974 167 D CA 0.823 54.638 54.000 -0.309 0.000 0.841 167 D CB -0.156 40.522 40.800 -0.205 0.000 0.953 167 D HN 0.467 nan 8.370 nan 0.000 0.478 168 N N 0.452 118.944 118.700 -0.347 0.000 2.268 168 N HA -0.049 4.693 4.740 0.004 0.000 0.204 168 N C -0.540 175.033 175.510 0.105 0.000 1.124 168 N CA 0.055 53.025 53.050 -0.134 0.000 0.838 168 N CB 0.306 38.677 38.487 -0.193 0.000 0.994 168 N HN 0.296 nan 8.380 nan 0.000 0.489 169 H N -0.482 118.610 119.070 0.038 0.000 2.748 169 H HA -0.163 4.395 4.556 0.002 0.000 0.322 169 H C -0.817 174.527 175.328 0.026 0.000 1.208 169 H CA 0.625 56.663 56.048 -0.015 0.000 1.151 169 H CB -2.228 27.481 29.762 -0.088 0.000 1.505 169 H HN 0.222 nan 8.280 nan 0.000 0.429 170 F N 0.490 120.533 119.950 0.155 0.000 2.408 170 F HA 0.194 4.722 4.527 0.002 0.000 0.344 170 F C 1.153 177.129 175.800 0.294 0.000 1.112 170 F CA -0.455 57.698 58.000 0.254 0.000 1.096 170 F CB 1.338 40.566 39.000 0.380 0.000 1.129 170 F HN -0.090 nan 8.300 nan 0.000 0.486 171 T N 2.982 117.734 114.554 0.330 0.000 2.794 171 T HA 0.062 4.415 4.350 0.004 0.000 0.296 171 T C -0.104 174.682 174.700 0.144 0.000 0.949 171 T CA -0.484 61.743 62.100 0.212 0.000 1.101 171 T CB 0.591 69.513 68.868 0.089 0.000 0.905 171 T HN 0.541 nan 8.240 nan 0.000 0.516 172 E N 3.254 123.463 120.200 0.014 0.000 2.338 172 E HA 0.399 4.751 4.350 0.004 0.000 0.272 172 E C -0.229 176.189 176.600 -0.303 0.000 1.029 172 E CA -0.573 55.533 56.400 -0.489 0.000 0.872 172 E CB 0.470 29.874 29.700 -0.494 0.000 1.015 172 E HN 0.659 nan 8.360 nan 0.000 0.417 173 I N 0.569 120.917 120.570 -0.371 0.000 2.846 173 I HA 0.455 4.627 4.170 0.004 0.000 0.307 173 I C -0.895 175.076 176.117 -0.244 0.000 1.053 173 I CA -1.146 60.014 61.300 -0.233 0.000 1.050 173 I CB 2.018 39.916 38.000 -0.170 0.000 1.239 173 I HN 0.319 nan 8.210 nan 0.000 0.439 174 Q N 4.887 124.577 119.800 -0.183 0.000 2.508 174 Q HA 0.524 4.867 4.340 0.004 0.000 0.247 174 Q C -2.515 173.375 176.000 -0.183 0.000 1.047 174 Q CA -1.842 53.862 55.803 -0.165 0.000 0.783 174 Q CB 0.785 29.448 28.738 -0.124 0.000 1.172 174 Q HN 0.549 nan 8.270 nan 0.000 0.515 175 P HA 0.367 nan 4.420 nan 0.000 0.276 175 P C -2.607 174.538 177.300 -0.257 0.000 1.252 175 P CA -1.381 61.550 63.100 -0.281 0.000 0.802 175 P CB 0.295 31.895 31.700 -0.167 0.000 1.035 176 P HA 0.095 nan 4.420 nan 0.000 0.279 176 P C 0.534 177.781 177.300 -0.089 0.000 1.239 176 P CA -0.077 62.873 63.100 -0.250 0.000 0.789 176 P CB 0.584 32.069 31.700 -0.358 0.000 0.933 177 T N -1.246 113.295 114.554 -0.022 0.000 3.014 177 T HA 0.235 4.587 4.350 0.004 0.000 0.250 177 T C 0.918 175.641 174.700 0.039 0.000 1.060 177 T CA 0.089 62.233 62.100 0.073 0.000 1.040 177 T CB -0.163 68.782 68.868 0.129 0.000 0.971 177 T HN 0.264 nan 8.240 nan 0.000 0.497 178 I N 3.615 124.158 120.570 -0.045 0.000 2.304 178 I HA 0.510 4.683 4.170 0.004 0.000 0.291 178 I C 0.008 176.059 176.117 -0.111 0.000 1.018 178 I CA -1.038 60.200 61.300 -0.103 0.000 1.260 178 I CB 1.309 39.180 38.000 -0.214 0.000 1.390 178 I HN 0.110 nan 8.210 nan 0.000 0.475 179 V N 3.733 123.630 119.914 -0.029 0.000 3.119 179 V HA 0.786 4.908 4.120 0.004 0.000 0.311 179 V C -0.721 175.348 176.094 -0.041 0.000 1.259 179 V CA -0.749 61.566 62.300 0.024 0.000 1.067 179 V CB 2.144 34.074 31.823 0.178 0.000 1.123 179 V HN 0.845 nan 8.190 nan 0.000 0.463 189 L N 1.641 122.693 121.223 -0.284 0.000 2.362 189 L HA 0.716 5.059 4.340 0.004 0.000 0.271 189 L C -0.534 176.148 176.870 -0.314 0.000 1.002 189 L CA -1.206 53.468 54.840 -0.277 0.000 0.818 189 L CB 1.703 43.622 42.059 -0.234 0.000 1.298 189 L HN 0.124 nan 8.230 nan 0.000 0.420 190 F N 1.489 121.438 119.950 -0.001 0.000 2.410 190 F HA 0.493 5.023 4.527 0.004 0.000 0.334 190 F C 0.753 176.587 175.800 0.057 0.000 1.134 190 F CA -0.202 57.803 58.000 0.008 0.000 1.227 190 F CB 0.659 39.659 39.000 0.000 0.000 1.194 190 F HN 0.383 nan 8.300 nan 0.000 0.571 191 K N 3.166 123.747 120.400 0.301 0.000 2.427 191 K HA 0.850 5.172 4.320 0.004 0.000 0.252 191 K C -1.636 175.093 176.600 0.214 0.000 0.931 191 K CA -0.761 55.736 56.287 0.349 0.000 0.793 191 K CB 1.327 34.015 32.500 0.312 0.000 1.211 191 K HN 0.655 nan 8.250 nan 0.000 0.426 192 L N -1.831 119.494 121.223 0.170 0.000 2.359 192 L HA 0.662 5.004 4.340 0.004 0.000 0.256 192 L C -0.344 176.555 176.870 0.048 0.000 1.026 192 L CA -1.116 53.767 54.840 0.071 0.000 0.828 192 L CB 1.882 43.955 42.059 0.022 0.000 1.406 192 L HN 0.468 nan 8.230 nan 0.000 0.413 193 Q N 1.161 120.969 119.800 0.013 0.000 2.390 193 Q HA 0.225 4.568 4.340 0.004 0.000 0.249 193 Q C -1.486 174.486 176.000 -0.046 0.000 0.996 193 Q CA -0.059 55.745 55.803 0.001 0.000 0.899 193 Q CB 0.978 29.711 28.738 -0.010 0.000 1.216 193 Q HN 0.708 nan 8.270 nan 0.000 0.465 194 Y N 5.196 125.405 120.300 -0.150 0.000 2.632 194 Y HA 0.064 4.616 4.550 0.004 0.000 0.336 194 Y C -0.086 175.748 175.900 -0.111 0.000 1.237 194 Y CA -0.080 57.870 58.100 -0.248 0.000 1.595 194 Y CB -0.698 37.696 38.460 -0.109 0.000 1.508 194 Y HN 0.635 nan 8.280 nan 0.000 0.480 195 F N -0.381 119.456 119.950 -0.189 0.000 2.185 195 F HA -0.494 4.036 4.527 0.004 0.000 0.318 195 F C 1.877 177.643 175.800 -0.057 0.000 1.440 195 F CA 1.508 59.411 58.000 -0.162 0.000 0.920 195 F CB -1.696 37.154 39.000 -0.250 0.000 4.125 195 F HN 0.258 nan 8.300 nan 0.000 0.137 196 N N 1.334 120.152 118.700 0.197 0.000 2.515 196 N HA 0.237 4.979 4.740 0.004 0.000 0.185 196 N C 0.238 175.800 175.510 0.086 0.000 1.109 196 N CA 1.356 54.469 53.050 0.105 0.000 0.903 196 N CB -0.714 37.818 38.487 0.075 0.000 0.969 196 N HN 0.784 nan 8.380 nan 0.000 0.450 197 E N -0.743 119.522 120.200 0.109 0.000 2.336 197 E HA 0.531 4.883 4.350 0.004 0.000 0.267 197 E C -3.136 173.493 176.600 0.049 0.000 0.906 197 E CA -2.362 54.084 56.400 0.077 0.000 0.781 197 E CB 2.316 32.069 29.700 0.089 0.000 1.261 197 E HN 0.033 nan 8.360 nan 0.000 0.436 198 P HA 0.292 nan 4.420 nan 0.000 0.279 198 P C -1.183 175.980 177.300 -0.230 0.000 1.239 198 P CA -0.172 62.889 63.100 -0.066 0.000 0.789 198 P CB 1.321 32.997 31.700 -0.040 0.000 0.933 199 A N 2.803 125.456 122.820 -0.278 0.000 2.587 199 A HA 0.736 5.058 4.320 0.004 0.000 0.293 199 A C -1.792 175.629 177.584 -0.272 0.000 1.087 199 A CA -0.493 51.297 52.037 -0.410 0.000 0.692 199 A CB 1.151 20.035 19.000 -0.194 0.000 1.291 199 A HN 0.383 nan 8.150 nan 0.000 0.407 200 Y N -0.034 120.278 120.300 0.021 0.000 2.524 200 Y HA 0.600 5.153 4.550 0.004 0.000 0.344 200 Y C 0.159 176.077 175.900 0.030 0.000 1.012 200 Y CA -1.450 56.675 58.100 0.042 0.000 1.068 200 Y CB 1.247 39.744 38.460 0.062 0.000 1.249 200 Y HN 0.580 nan 8.280 nan 0.000 0.468 201 L N 1.930 123.275 121.223 0.203 0.000 2.416 201 L HA 0.189 4.532 4.340 0.004 0.000 0.272 201 L C 0.854 177.859 176.870 0.225 0.000 1.161 201 L CA -0.135 54.749 54.840 0.073 0.000 0.845 201 L CB 0.762 42.715 42.059 -0.178 0.000 1.119 201 L HN 0.690 nan 8.230 nan 0.000 0.464 202 T N 1.941 116.650 114.554 0.257 0.000 2.930 202 T HA 0.049 4.401 4.350 0.004 0.000 0.306 202 T C 0.823 175.733 174.700 0.351 0.000 1.045 202 T CA -0.226 62.049 62.100 0.292 0.000 1.134 202 T CB 0.687 69.715 68.868 0.266 0.000 0.961 202 T HN 0.794 nan 8.240 nan 0.000 0.545 203 Q N 2.383 122.350 119.800 0.279 0.000 2.317 203 Q HA 0.348 4.690 4.340 0.004 0.000 0.220 203 Q C 0.347 176.520 176.000 0.290 0.000 0.873 203 Q CA -0.456 55.514 55.803 0.278 0.000 0.936 203 Q CB 0.582 29.457 28.738 0.228 0.000 1.105 203 Q HN 0.411 nan 8.270 nan 0.000 0.520 204 S N -0.705 115.136 115.700 0.236 0.000 2.542 204 S HA 0.339 4.812 4.470 0.004 0.000 0.276 204 S C -0.838 173.815 174.600 0.088 0.000 1.148 204 S CA -0.600 57.711 58.200 0.184 0.000 0.886 204 S CB 1.884 65.198 63.200 0.191 0.000 1.109 204 S HN 0.138 nan 8.310 nan 0.000 0.458 205 S N 2.868 118.567 115.700 -0.001 0.000 2.582 205 S HA 0.101 4.574 4.470 0.004 0.000 0.234 205 S C 1.525 176.134 174.600 0.016 0.000 0.961 205 S CA -0.201 58.041 58.200 0.070 0.000 0.953 205 S CB 0.192 63.414 63.200 0.036 0.000 0.800 205 S HN 0.716 nan 8.310 nan 0.000 0.471 206 Q N 1.107 120.869 119.800 -0.063 0.000 2.061 206 Q HA -0.171 4.171 4.340 0.004 0.000 0.204 206 Q C 1.417 177.397 176.000 -0.032 0.000 0.984 206 Q CA 1.435 57.184 55.803 -0.091 0.000 0.846 206 Q CB -0.145 28.488 28.738 -0.176 0.000 0.902 206 Q HN 0.375 nan 8.270 nan 0.000 0.421 207 L N -0.206 120.967 121.223 -0.083 0.000 2.046 207 L HA -0.180 4.163 4.340 0.004 0.000 0.208 207 L C 2.161 179.219 176.870 0.315 0.000 1.077 207 L CA 1.617 56.465 54.840 0.013 0.000 0.747 207 L CB -1.190 40.714 42.059 -0.260 0.000 0.896 207 L HN 0.291 nan 8.230 nan 0.000 0.432 208 Y N -0.731 119.734 120.300 0.274 0.000 2.200 208 Y HA -0.177 4.375 4.550 0.004 0.000 0.290 208 Y C 2.440 178.379 175.900 0.065 0.000 1.137 208 Y CA 0.770 58.938 58.100 0.114 0.000 1.163 208 Y CB -0.829 37.595 38.460 -0.060 0.000 0.988 208 Y HN 0.045 nan 8.280 nan 0.000 0.518 209 L N -0.181 121.143 121.223 0.168 0.000 2.012 209 L HA -0.252 4.090 4.340 0.004 0.000 0.210 209 L C 2.345 179.243 176.870 0.047 0.000 1.073 209 L CA 1.631 56.509 54.840 0.062 0.000 0.748 209 L CB -0.564 41.496 42.059 0.002 0.000 0.891 209 L HN 0.241 nan 8.230 nan 0.000 0.431 210 E N -0.260 119.984 120.200 0.073 0.000 2.130 210 E HA -0.239 4.113 4.350 0.004 0.000 0.196 210 E C 2.106 178.689 176.600 -0.028 0.000 0.998 210 E CA 1.630 58.012 56.400 -0.030 0.000 0.806 210 E CB -0.110 29.649 29.700 0.098 0.000 0.738 210 E HN 0.532 nan 8.360 nan 0.000 0.459 211 S N -0.495 115.304 115.700 0.165 0.000 2.607 211 S HA 0.021 4.493 4.470 0.004 0.000 0.224 211 S C 1.622 176.282 174.600 0.099 0.000 0.969 211 S CA 0.164 58.482 58.200 0.196 0.000 0.927 211 S CB 0.641 64.106 63.200 0.441 0.000 0.772 211 S HN 0.019 nan 8.310 nan 0.000 0.533 212 V N 1.591 121.530 119.914 0.041 0.000 3.359 212 V HA 0.197 4.320 4.120 0.004 0.000 0.245 212 V C 2.045 178.127 176.094 -0.021 0.000 1.247 212 V CA 0.519 62.826 62.300 0.012 0.000 1.145 212 V CB 0.079 31.905 31.823 0.006 0.000 0.906 212 V HN 0.668 nan 8.190 nan 0.000 0.464 213 I N 0.303 120.837 120.570 -0.059 0.000 2.315 213 I HA -0.197 3.975 4.170 0.004 0.000 0.251 213 I C 2.282 178.353 176.117 -0.076 0.000 1.125 213 I CA 2.030 63.279 61.300 -0.085 0.000 1.392 213 I CB -0.750 37.159 38.000 -0.152 0.000 1.065 213 I HN 0.164 nan 8.210 nan 0.000 0.424 214 A N 0.522 123.300 122.820 -0.070 0.000 1.972 214 A HA -0.180 4.143 4.320 0.004 0.000 0.219 214 A C 2.505 180.094 177.584 0.007 0.000 1.169 214 A CA 2.145 54.164 52.037 -0.029 0.000 0.635 214 A CB -0.681 18.315 19.000 -0.006 0.000 0.810 214 A HN 0.597 nan 8.150 nan 0.000 0.446 215 S N -0.994 114.708 115.700 0.003 0.000 2.398 215 S HA 0.137 4.609 4.470 0.004 0.000 0.220 215 S C 1.638 176.239 174.600 0.002 0.000 1.046 215 S CA 0.758 58.964 58.200 0.009 0.000 0.953 215 S CB -0.280 62.925 63.200 0.008 0.000 0.856 215 S HN 0.431 nan 8.310 nan 0.000 0.506 216 L N 1.185 122.405 121.223 -0.006 0.000 2.529 216 L HA 0.353 4.695 4.340 0.004 0.000 0.223 216 L C 1.538 178.399 176.870 -0.015 0.000 1.113 216 L CA 0.191 55.027 54.840 -0.006 0.000 0.861 216 L CB -0.938 41.118 42.059 -0.004 0.000 1.012 216 L HN 0.596 nan 8.230 nan 0.000 0.461 217 G N 1.104 109.890 108.800 -0.023 0.000 2.601 217 G HA2 -0.301 3.662 3.960 0.004 0.000 0.252 217 G HA3 -0.301 3.662 3.960 0.004 0.000 0.252 217 G C -0.172 174.683 174.900 -0.075 0.000 1.294 217 G CA -0.501 44.573 45.100 -0.044 0.000 0.912 217 G HN 0.254 nan 8.290 nan 0.000 0.574 218 K N 0.638 120.942 120.400 -0.160 0.000 2.476 218 K HA 0.248 4.570 4.320 0.004 0.000 0.273 218 K C 0.058 176.624 176.600 -0.057 0.000 1.056 218 K CA 1.253 57.370 56.287 -0.283 0.000 1.150 218 K CB -0.144 31.831 32.500 -0.875 0.000 0.838 218 K HN 0.559 nan 8.250 nan 0.000 0.486 219 S N 2.334 118.131 115.700 0.160 0.000 2.569 219 S HA 0.708 5.181 4.470 0.004 0.000 0.280 219 S C -0.980 173.825 174.600 0.341 0.000 1.111 219 S CA -0.986 57.358 58.200 0.238 0.000 0.887 219 S CB 1.054 64.290 63.200 0.061 0.000 1.095 219 S HN 0.537 nan 8.310 nan 0.000 0.476 220 F N -0.265 119.695 119.950 0.017 0.000 2.664 220 F HA 0.905 5.435 4.527 0.006 0.000 0.317 220 F C -0.894 174.782 175.800 -0.207 0.000 1.108 220 F CA -1.097 56.769 58.000 -0.224 0.000 0.957 220 F CB 0.783 39.395 39.000 -0.647 0.000 1.365 220 F HN 0.868 nan 8.300 nan 0.000 0.475 221 C N 2.271 121.319 119.300 -0.420 0.000 3.239 221 C HA 0.822 5.285 4.460 0.004 0.000 0.317 221 C C -1.125 173.749 174.990 -0.193 0.000 1.310 221 C CA -0.999 57.726 59.018 -0.488 0.000 1.371 221 C CB 1.356 28.901 27.740 -0.324 0.000 1.714 221 C HN 1.288 nan 8.230 nan 0.000 0.473 222 M N 3.895 123.408 119.600 -0.145 0.000 2.106 222 M HA 0.650 5.132 4.480 0.004 0.000 0.241 222 M C -1.499 174.770 176.300 -0.052 0.000 0.946 222 M CA -0.269 55.010 55.300 -0.036 0.000 1.024 222 M CB 0.813 33.473 32.600 0.100 0.000 2.191 222 M HN 0.964 nan 8.290 nan 0.000 0.429 223 L N -0.819 120.356 121.223 -0.080 0.000 2.654 223 L HA 0.724 5.066 4.340 0.004 0.000 0.257 223 L C -0.638 176.150 176.870 -0.136 0.000 1.093 223 L CA -1.100 53.692 54.840 -0.080 0.000 0.903 223 L CB 1.566 43.585 42.059 -0.067 0.000 1.520 223 L HN 0.226 nan 8.230 nan 0.000 0.402 224 S N 0.648 116.247 115.700 -0.168 0.000 2.549 224 S HA 0.371 4.844 4.470 0.004 0.000 0.286 224 S C -0.085 174.271 174.600 -0.407 0.000 1.314 224 S CA -0.255 57.716 58.200 -0.383 0.000 1.062 224 S CB 0.369 63.281 63.200 -0.480 0.000 0.865 224 S HN 0.577 nan 8.310 nan 0.000 0.498 225 S N 1.729 117.055 115.700 -0.623 0.000 2.607 225 S HA 0.660 5.132 4.470 0.004 0.000 0.303 225 S C -1.334 172.988 174.600 -0.464 0.000 1.086 225 S CA -0.622 57.362 58.200 -0.359 0.000 0.995 225 S CB 0.771 63.858 63.200 -0.187 0.000 1.084 225 S HN 0.602 nan 8.310 nan 0.000 0.507 226 Y N 0.571 120.973 120.300 0.171 0.000 2.391 226 Y HA 0.584 5.136 4.550 0.004 0.000 0.341 226 Y C 0.179 176.265 175.900 0.310 0.000 0.965 226 Y CA -1.145 57.152 58.100 0.329 0.000 1.067 226 Y CB 1.230 39.941 38.460 0.420 0.000 1.199 226 Y HN 0.238 nan 8.280 nan 0.000 0.450 227 R N 1.826 122.583 120.500 0.429 0.000 2.393 227 R HA 0.528 4.871 4.340 0.004 0.000 0.315 227 R C -0.037 176.211 176.300 -0.087 0.000 0.952 227 R CA -0.804 55.388 56.100 0.153 0.000 0.842 227 R CB 1.625 32.014 30.300 0.147 0.000 1.163 227 R HN 0.895 nan 8.270 nan 0.000 0.450 228 A N 2.522 125.043 122.820 -0.497 0.000 2.337 228 A HA 0.010 4.332 4.320 0.004 0.000 0.227 228 A C 0.577 177.969 177.584 -0.320 0.000 1.259 228 A CA -0.229 51.315 52.037 -0.822 0.000 0.870 228 A CB -0.366 17.956 19.000 -1.130 0.000 0.927 228 A HN 0.706 nan 8.150 nan 0.000 0.497 229 E N 0.500 120.588 120.200 -0.186 0.000 2.502 229 E HA -0.051 4.301 4.350 0.004 0.000 0.261 229 E C -0.843 175.706 176.600 -0.086 0.000 0.974 229 E CA 0.253 56.570 56.400 -0.138 0.000 0.936 229 E CB 0.149 29.746 29.700 -0.171 0.000 0.926 229 E HN 0.518 nan 8.360 nan 0.000 0.459 230 Q N 2.292 122.049 119.800 -0.072 0.000 2.771 230 Q HA 0.293 4.636 4.340 0.004 0.000 0.239 230 Q C -1.061 174.925 176.000 -0.023 0.000 1.231 230 Q CA -0.360 55.427 55.803 -0.027 0.000 1.056 230 Q CB 0.983 29.707 28.738 -0.024 0.000 1.284 230 Q HN 0.459 nan 8.270 nan 0.000 0.558 231 S N -0.408 115.283 115.700 -0.016 0.000 2.570 231 S HA 0.434 4.907 4.470 0.004 0.000 0.286 231 S C -0.019 174.583 174.600 0.003 0.000 1.143 231 S CA -0.444 57.748 58.200 -0.012 0.000 0.921 231 S CB 1.068 64.245 63.200 -0.038 0.000 1.108 231 S HN 0.614 nan 8.310 nan 0.000 0.456 232 R N 1.514 122.020 120.500 0.009 0.000 2.346 232 R HA 0.340 4.683 4.340 0.004 0.000 0.225 232 R C 0.968 177.223 176.300 -0.075 0.000 0.987 232 R CA 0.782 56.873 56.100 -0.016 0.000 1.106 232 R CB -1.189 29.104 30.300 -0.011 0.000 1.090 232 R HN 0.770 nan 8.270 nan 0.000 0.502 233 T N 0.284 114.827 114.554 -0.019 0.000 2.923 233 T HA 0.114 4.466 4.350 0.004 0.000 0.320 233 T C 0.564 175.261 174.700 -0.005 0.000 1.074 233 T CA 0.299 62.404 62.100 0.009 0.000 1.131 233 T CB 0.080 68.997 68.868 0.082 0.000 1.058 233 T HN 0.274 nan 8.240 nan 0.000 0.535 234 V N 5.945 125.853 119.914 -0.009 0.000 2.924 234 V HA 0.556 4.678 4.120 0.004 0.000 0.305 234 V C 1.784 177.865 176.094 -0.020 0.000 1.073 234 V CA 0.830 63.126 62.300 -0.007 0.000 1.098 234 V CB 0.314 32.184 31.823 0.078 0.000 1.000 234 V HN 1.355 nan 8.190 nan 0.000 0.484 235 R N 1.976 122.438 120.500 -0.064 0.000 3.840 235 R HA -0.181 4.162 4.340 0.004 0.000 0.464 235 R C 0.344 176.424 176.300 -0.366 0.000 0.986 235 R CA 1.518 57.505 56.100 -0.188 0.000 1.305 235 R CB -2.898 27.269 30.300 -0.221 0.000 1.950 235 R HN 0.893 nan 8.270 nan 0.000 0.526 236 H N -0.717 118.310 119.070 -0.073 0.000 2.800 236 H HA 0.653 5.211 4.556 0.004 0.000 0.322 236 H C -0.315 175.009 175.328 -0.006 0.000 0.979 236 H CA -0.551 55.449 56.048 -0.080 0.000 1.277 236 H CB 1.107 30.830 29.762 -0.065 0.000 1.484 236 H HN 0.411 nan 8.280 nan 0.000 0.512 237 L N 0.962 122.272 121.223 0.144 0.000 2.334 237 L HA 0.454 4.797 4.340 0.004 0.000 0.270 237 L C 1.453 178.502 176.870 0.300 0.000 1.018 237 L CA -0.652 54.339 54.840 0.251 0.000 0.811 237 L CB 1.438 43.645 42.059 0.245 0.000 1.271 237 L HN 0.545 nan 8.230 nan 0.000 0.443 238 A N 0.718 123.753 122.820 0.357 0.000 2.016 238 A HA -0.012 4.310 4.320 0.004 0.000 0.217 238 A C 0.715 178.570 177.584 0.451 0.000 1.162 238 A CA 0.935 53.242 52.037 0.449 0.000 0.662 238 A CB -0.090 19.204 19.000 0.490 0.000 0.812 238 A HN 0.775 nan 8.150 nan 0.000 0.450 239 E N -1.019 119.356 120.200 0.292 0.000 2.256 239 E HA 0.541 4.893 4.350 0.004 0.000 0.268 239 E C -1.743 174.939 176.600 0.137 0.000 0.877 239 E CA -0.889 55.560 56.400 0.082 0.000 0.757 239 E CB 1.311 31.022 29.700 0.018 0.000 1.183 239 E HN 0.421 nan 8.360 nan 0.000 0.418 240 Y N 1.915 122.140 120.300 -0.125 0.000 2.544 240 Y HA 0.487 5.039 4.550 0.004 0.000 0.342 240 Y C -1.760 174.097 175.900 -0.073 0.000 1.062 240 Y CA -1.486 56.575 58.100 -0.064 0.000 1.023 240 Y CB 0.816 39.253 38.460 -0.039 0.000 1.308 240 Y HN 0.411 nan 8.280 nan 0.000 0.457 241 L N 4.635 125.843 121.223 -0.025 0.000 2.456 241 L HA 0.232 4.575 4.340 0.004 0.000 0.277 241 L C -0.554 176.305 176.870 -0.019 0.000 1.124 241 L CA 0.522 55.323 54.840 -0.065 0.000 0.880 241 L CB -0.582 41.488 42.059 0.018 0.000 1.192 241 L HN 0.870 nan 8.230 nan 0.000 0.463 242 H N 5.203 124.104 119.070 -0.283 0.000 2.661 242 H HA 0.317 4.875 4.556 0.004 0.000 0.290 242 H C -0.799 174.469 175.328 -0.100 0.000 1.082 242 H CA -1.232 54.700 56.048 -0.194 0.000 1.234 242 H CB 1.024 30.547 29.762 -0.399 0.000 1.387 242 H HN 0.589 nan 8.280 nan 0.000 0.476 243 L N 5.327 126.607 121.223 0.095 0.000 2.313 243 L HA 0.278 4.620 4.340 0.004 0.000 0.282 243 L C -0.764 176.045 176.870 -0.102 0.000 1.092 243 L CA 0.246 55.060 54.840 -0.044 0.000 0.831 243 L CB 0.761 42.747 42.059 -0.121 0.000 1.159 243 L HN 0.679 nan 8.230 nan 0.000 0.442 244 E N 3.879 123.941 120.200 -0.230 0.000 2.317 244 E HA 0.859 5.211 4.350 0.004 0.000 0.270 244 E C -1.396 174.988 176.600 -0.360 0.000 0.885 244 E CA -1.049 55.147 56.400 -0.340 0.000 0.760 244 E CB 2.023 31.486 29.700 -0.394 0.000 1.227 244 E HN 0.804 nan 8.360 nan 0.000 0.434 245 A N 1.856 124.345 122.820 -0.552 0.000 2.572 245 A HA 0.716 5.039 4.320 0.004 0.000 0.295 245 A C -1.398 176.068 177.584 -0.197 0.000 1.072 245 A CA -0.568 51.275 52.037 -0.324 0.000 0.691 245 A CB 2.024 20.844 19.000 -0.300 0.000 1.291 245 A HN 0.552 nan 8.150 nan 0.000 0.404 246 E N -0.156 120.075 120.200 0.051 0.000 2.331 246 E HA 0.706 5.059 4.350 0.004 0.000 0.275 246 E C -2.057 174.615 176.600 0.119 0.000 0.895 246 E CA -0.352 56.096 56.400 0.080 0.000 0.753 246 E CB 1.697 31.413 29.700 0.026 0.000 1.216 246 E HN 0.476 nan 8.360 nan 0.000 0.434 247 L N 5.164 126.452 121.223 0.110 0.000 2.381 247 L HA 0.580 4.923 4.340 0.004 0.000 0.274 247 L C -2.331 174.542 176.870 0.005 0.000 0.988 247 L CA -1.719 53.145 54.840 0.041 0.000 0.824 247 L CB 1.757 43.847 42.059 0.053 0.000 1.263 247 L HN 0.450 nan 8.230 nan 0.000 0.410 248 P HA 0.311 nan 4.420 nan 0.000 0.279 248 P C -0.519 176.723 177.300 -0.097 0.000 1.252 248 P CA -0.447 62.532 63.100 -0.202 0.000 0.811 248 P CB 0.527 32.052 31.700 -0.291 0.000 1.035 249 F N -1.018 118.885 119.950 -0.078 0.000 2.667 249 F HA -0.220 4.309 4.527 0.004 0.000 0.250 249 F C 0.657 176.405 175.800 -0.086 0.000 1.029 249 F CA 0.832 58.763 58.000 -0.116 0.000 0.944 249 F CB -1.931 37.011 39.000 -0.096 0.000 0.994 249 F HN 0.233 nan 8.300 nan 0.000 0.842 250 I N -2.221 118.368 120.570 0.030 0.000 3.174 250 I HA 0.892 5.065 4.170 0.004 0.000 0.313 250 I C 0.064 176.189 176.117 0.014 0.000 1.155 250 I CA -0.882 60.438 61.300 0.032 0.000 0.977 250 I CB 2.366 40.389 38.000 0.040 0.000 1.248 250 I HN 0.023 nan 8.210 nan 0.000 0.453 251 S N 1.555 117.279 115.700 0.041 0.000 2.747 251 S HA 0.483 4.955 4.470 0.004 0.000 0.300 251 S C 0.535 175.213 174.600 0.129 0.000 1.121 251 S CA -0.526 57.721 58.200 0.079 0.000 0.995 251 S CB 1.369 64.616 63.200 0.079 0.000 1.113 251 S HN 0.737 nan 8.310 nan 0.000 0.547 252 F N 1.582 121.540 119.950 0.013 0.000 2.126 252 F HA -0.070 4.460 4.527 0.005 0.000 0.299 252 F C 2.379 178.162 175.800 -0.028 0.000 1.096 252 F CA 2.039 60.044 58.000 0.010 0.000 1.255 252 F CB -0.453 38.574 39.000 0.045 0.000 0.997 252 F HN 0.656 nan 8.300 nan 0.000 0.479 253 E N 0.199 120.396 120.200 -0.004 0.000 2.110 253 E HA -0.196 4.156 4.350 0.004 0.000 0.193 253 E C 1.940 178.455 176.600 -0.141 0.000 0.988 253 E CA 1.395 57.723 56.400 -0.119 0.000 0.804 253 E CB -0.571 29.121 29.700 -0.013 0.000 0.745 253 E HN 0.488 nan 8.360 nan 0.000 0.458 254 D N 0.788 121.151 120.400 -0.062 0.000 2.097 254 D HA -0.151 4.491 4.640 0.004 0.000 0.195 254 D C 2.125 178.400 176.300 -0.041 0.000 0.989 254 D CA 0.528 54.509 54.000 -0.031 0.000 0.827 254 D CB -0.346 40.461 40.800 0.011 0.000 0.966 254 D HN 0.089 nan 8.370 nan 0.000 0.456 255 L N 0.713 121.887 121.223 -0.082 0.000 2.012 255 L HA -0.148 4.194 4.340 0.004 0.000 0.210 255 L C 2.256 178.979 176.870 -0.246 0.000 1.073 255 L CA 1.403 56.199 54.840 -0.074 0.000 0.748 255 L CB -0.508 41.496 42.059 -0.091 0.000 0.891 255 L HN 0.015 nan 8.230 nan 0.000 0.431 256 L N -0.574 120.342 121.223 -0.512 0.000 1.994 256 L HA -0.228 4.115 4.340 0.004 0.000 0.208 256 L C 2.366 178.974 176.870 -0.437 0.000 1.071 256 L CA 1.408 55.789 54.840 -0.764 0.000 0.745 256 L CB -0.939 40.548 42.059 -0.954 0.000 0.892 256 L HN 0.360 nan 8.230 nan 0.000 0.431 257 N N -0.644 117.901 118.700 -0.258 0.000 2.192 257 N HA -0.256 4.487 4.740 0.004 0.000 0.188 257 N C 1.793 177.258 175.510 -0.076 0.000 1.013 257 N CA 1.589 54.555 53.050 -0.139 0.000 0.863 257 N CB -0.529 37.912 38.487 -0.076 0.000 0.990 257 N HN 0.469 nan 8.380 nan 0.000 0.430 258 H N 0.927 119.926 119.070 -0.118 0.000 2.326 258 H HA 0.099 4.657 4.556 0.003 0.000 0.301 258 H C 2.107 177.354 175.328 -0.135 0.000 1.081 258 H CA 1.266 57.288 56.048 -0.043 0.000 1.334 258 H CB -0.446 29.350 29.762 0.057 0.000 1.385 258 H HN 0.079 nan 8.280 nan 0.000 0.504 259 L N 0.115 121.071 121.223 -0.444 0.000 2.083 259 L HA -0.132 4.211 4.340 0.004 0.000 0.209 259 L C 2.601 179.276 176.870 -0.324 0.000 1.083 259 L CA 1.528 56.078 54.840 -0.483 0.000 0.752 259 L CB -0.404 41.490 42.059 -0.276 0.000 0.899 259 L HN 0.436 nan 8.230 nan 0.000 0.433 260 E N 0.029 120.044 120.200 -0.308 0.000 2.051 260 E HA -0.287 4.065 4.350 0.004 0.000 0.192 260 E C 1.740 178.109 176.600 -0.383 0.000 0.991 260 E CA 1.733 57.785 56.400 -0.580 0.000 0.799 260 E CB -0.021 29.330 29.700 -0.581 0.000 0.748 260 E HN 0.420 nan 8.360 nan 0.000 0.449 261 D N 0.250 120.489 120.400 -0.268 0.000 2.117 261 D HA -0.169 4.474 4.640 0.004 0.000 0.197 261 D C 2.013 178.140 176.300 -0.288 0.000 0.987 261 D CA 0.652 54.556 54.000 -0.159 0.000 0.829 261 D CB -0.045 40.761 40.800 0.009 0.000 0.961 261 D HN 0.066 nan 8.370 nan 0.000 0.460 262 L N -0.049 120.854 121.223 -0.533 0.000 1.976 262 L HA -0.123 4.220 4.340 0.004 0.000 0.209 262 L C 2.330 178.844 176.870 -0.593 0.000 1.071 262 L CA 1.580 55.870 54.840 -0.917 0.000 0.746 262 L CB -0.742 40.794 42.059 -0.873 0.000 0.890 262 L HN 0.020 nan 8.230 nan 0.000 0.432 263 V N -1.020 118.691 119.914 -0.339 0.000 2.358 263 V HA -0.311 3.811 4.120 0.004 0.000 0.246 263 V C 2.592 178.595 176.094 -0.151 0.000 1.047 263 V CA 1.800 63.996 62.300 -0.174 0.000 1.035 263 V CB -0.742 31.067 31.823 -0.024 0.000 0.658 263 V HN 0.675 nan 8.190 nan 0.000 0.452 264 C N -0.499 118.722 119.300 -0.131 0.000 2.466 264 C HA -0.107 4.356 4.460 0.004 0.000 0.278 264 C C 2.994 177.918 174.990 -0.110 0.000 1.288 264 C CA 1.487 60.463 59.018 -0.071 0.000 1.722 264 C CB -1.110 26.599 27.740 -0.051 0.000 2.017 264 C HN 0.596 nan 8.230 nan 0.000 0.488 265 T N 0.937 115.400 114.554 -0.152 0.000 2.777 265 T HA -0.126 4.227 4.350 0.004 0.000 0.266 265 T C 1.855 176.452 174.700 -0.171 0.000 1.040 265 T CA 1.532 63.566 62.100 -0.110 0.000 1.141 265 T CB -0.285 68.580 68.868 -0.004 0.000 0.868 265 T HN 0.339 nan 8.240 nan 0.000 0.444 266 V N 1.358 121.084 119.914 -0.313 0.000 2.307 266 V HA -0.112 4.011 4.120 0.004 0.000 0.245 266 V C 2.391 178.306 176.094 -0.298 0.000 1.045 266 V CA 1.448 63.507 62.300 -0.401 0.000 1.024 266 V CB -0.579 30.736 31.823 -0.845 0.000 0.651 266 V HN 0.469 nan 8.190 nan 0.000 0.449 267 I N 0.153 120.594 120.570 -0.214 0.000 2.226 267 I HA -0.242 3.931 4.170 0.004 0.000 0.245 267 I C 2.251 178.306 176.117 -0.103 0.000 1.100 267 I CA 1.610 62.855 61.300 -0.092 0.000 1.374 267 I CB -0.511 37.514 38.000 0.042 0.000 1.057 267 I HN 0.315 nan 8.210 nan 0.000 0.413 268 D N 0.933 121.269 120.400 -0.106 0.000 2.104 268 D HA -0.169 4.474 4.640 0.004 0.000 0.194 268 D C 1.921 178.123 176.300 -0.164 0.000 0.994 268 D CA 1.223 55.161 54.000 -0.103 0.000 0.830 268 D CB -0.386 40.366 40.800 -0.079 0.000 0.959 268 D HN 0.241 nan 8.370 nan 0.000 0.452 269 N N -0.206 118.354 118.700 -0.232 0.000 2.188 269 N HA -0.089 4.653 4.740 0.004 0.000 0.184 269 N C 1.894 177.040 175.510 -0.607 0.000 1.018 269 N CA 0.335 53.155 53.050 -0.383 0.000 0.858 269 N CB -0.369 37.884 38.487 -0.390 0.000 0.989 269 N HN 0.088 nan 8.380 nan 0.000 0.426 270 V N 1.187 120.800 119.914 -0.501 0.000 2.307 270 V HA -0.158 3.965 4.120 0.004 0.000 0.245 270 V C 2.285 178.287 176.094 -0.154 0.000 1.045 270 V CA 1.178 63.283 62.300 -0.324 0.000 1.024 270 V CB -0.362 31.408 31.823 -0.088 0.000 0.651 270 V HN 0.255 nan 8.190 nan 0.000 0.449 271 M N -0.051 119.472 119.600 -0.129 0.000 2.213 271 M HA -0.120 4.363 4.480 0.004 0.000 0.263 271 M C 2.398 178.633 176.300 -0.108 0.000 1.062 271 M CA 2.028 57.276 55.300 -0.086 0.000 1.105 271 M CB -1.510 31.046 32.600 -0.073 0.000 1.385 271 M HN 0.413 nan 8.290 nan 0.000 0.417 272 A N -0.347 122.382 122.820 -0.151 0.000 1.978 272 A HA -0.061 4.262 4.320 0.004 0.000 0.220 272 A C 2.364 179.858 177.584 -0.151 0.000 1.170 272 A CA 1.883 53.839 52.037 -0.135 0.000 0.636 272 A CB -0.585 18.332 19.000 -0.138 0.000 0.810 272 A HN 0.344 nan 8.150 nan 0.000 0.448 273 V N -1.839 117.939 119.914 -0.228 0.000 2.788 273 V HA 0.032 4.155 4.120 0.004 0.000 0.241 273 V C 1.456 177.306 176.094 -0.407 0.000 1.083 273 V CA 1.041 63.139 62.300 -0.337 0.000 1.103 273 V CB -0.634 30.915 31.823 -0.456 0.000 0.800 273 V HN 0.666 nan 8.190 nan 0.000 0.476 274 H N 0.084 119.132 119.070 -0.037 0.000 2.581 274 H HA 0.357 4.916 4.556 0.006 0.000 0.275 274 H C 1.919 177.219 175.328 -0.047 0.000 1.126 274 H CA 0.554 56.586 56.048 -0.027 0.000 1.097 274 H CB 0.304 30.061 29.762 -0.007 0.000 1.626 274 H HN 0.381 nan 8.280 nan 0.000 0.565 275 G N 1.688 110.494 108.800 0.010 0.000 2.586 275 G HA2 -0.316 3.647 3.960 0.004 0.000 0.218 275 G HA3 -0.316 3.647 3.960 0.004 0.000 0.218 275 G C 1.316 176.204 174.900 -0.020 0.000 1.216 275 G CA 1.121 46.208 45.100 -0.021 0.000 0.786 275 G HN 0.285 nan 8.290 nan 0.000 0.583 276 D N 0.234 120.622 120.400 -0.019 0.000 2.104 276 D HA -0.089 4.553 4.640 0.004 0.000 0.194 276 D C 2.231 178.517 176.300 -0.023 0.000 0.994 276 D CA 1.157 55.141 54.000 -0.027 0.000 0.830 276 D CB -0.284 40.501 40.800 -0.025 0.000 0.959 276 D HN 0.396 nan 8.370 nan 0.000 0.452 277 K N 0.295 120.696 120.400 0.002 0.000 2.063 277 K HA -0.106 4.217 4.320 0.004 0.000 0.208 277 K C 2.232 178.819 176.600 -0.022 0.000 1.048 277 K CA 0.880 57.166 56.287 -0.001 0.000 0.928 277 K CB -0.133 32.387 32.500 0.032 0.000 0.713 277 K HN 0.108 nan 8.250 nan 0.000 0.442 278 I N 0.047 120.603 120.570 -0.023 0.000 2.353 278 I HA -0.213 3.959 4.170 0.004 0.000 0.248 278 I C 2.416 178.487 176.117 -0.077 0.000 1.119 278 I CA 0.864 62.132 61.300 -0.054 0.000 1.417 278 I CB -0.125 37.838 38.000 -0.061 0.000 1.078 278 I HN 0.124 nan 8.210 nan 0.000 0.421 279 R N 0.783 121.238 120.500 -0.074 0.000 2.120 279 R HA -0.190 4.152 4.340 0.004 0.000 0.234 279 R C 2.268 178.520 176.300 -0.079 0.000 1.123 279 R CA 1.326 57.373 56.100 -0.088 0.000 0.975 279 R CB -0.114 30.137 30.300 -0.082 0.000 0.866 279 R HN 0.214 nan 8.270 nan 0.000 0.446 280 K N -0.244 120.119 120.400 -0.062 0.000 2.155 280 K HA -0.038 4.284 4.320 0.004 0.000 0.203 280 K C 1.858 178.432 176.600 -0.044 0.000 1.052 280 K CA 1.073 57.327 56.287 -0.056 0.000 0.948 280 K CB 0.112 32.582 32.500 -0.049 0.000 0.728 280 K HN 0.107 nan 8.250 nan 0.000 0.448 281 M N 0.206 119.786 119.600 -0.032 0.000 2.349 281 M HA -0.073 4.410 4.480 0.004 0.000 0.266 281 M C 0.180 176.465 176.300 -0.024 0.000 1.076 281 M CA 0.766 56.066 55.300 0.000 0.000 1.126 281 M CB 0.372 32.988 32.600 0.026 0.000 1.392 281 M HN -0.035 nan 8.290 nan 0.000 0.440 282 N N -0.234 118.428 118.700 -0.063 0.000 2.727 282 N HA 0.206 4.948 4.740 0.004 0.000 0.252 282 N C -2.250 173.205 175.510 -0.092 0.000 1.283 282 N CA -1.811 51.188 53.050 -0.085 0.000 0.782 282 N CB 0.923 39.317 38.487 -0.155 0.000 1.199 282 N HN -0.113 nan 8.380 nan 0.000 0.520 283 P HA -0.122 nan 4.420 nan 0.000 0.216 283 P C 0.252 177.409 177.300 -0.238 0.000 1.150 283 P CA 1.352 64.361 63.100 -0.152 0.000 0.837 283 P CB 0.157 31.766 31.700 -0.151 0.000 0.786 284 H N -0.799 118.212 119.070 -0.098 0.000 2.610 284 H HA 0.170 4.729 4.556 0.004 0.000 0.302 284 H C 0.508 175.764 175.328 -0.120 0.000 1.063 284 H CA -0.715 55.278 56.048 -0.091 0.000 1.159 284 H CB -0.305 29.411 29.762 -0.076 0.000 1.427 284 H HN 0.082 nan 8.280 nan 0.000 0.553 285 L N 1.748 122.909 121.223 -0.103 0.000 2.410 285 L HA 0.277 4.619 4.340 0.004 0.000 0.273 285 L C 0.291 177.097 176.870 -0.107 0.000 1.152 285 L CA -0.112 54.613 54.840 -0.190 0.000 0.855 285 L CB 0.253 42.148 42.059 -0.273 0.000 1.129 285 L HN 0.117 nan 8.230 nan 0.000 0.463 286 K N 6.582 126.955 120.400 -0.044 0.000 2.367 286 K HA 0.505 4.827 4.320 0.004 0.000 0.263 286 K C -0.673 175.993 176.600 0.110 0.000 1.000 286 K CA -0.460 55.844 56.287 0.029 0.000 0.891 286 K CB 0.404 32.939 32.500 0.057 0.000 1.117 286 K HN 0.728 nan 8.250 nan 0.000 0.443 287 L N 3.868 125.129 121.223 0.063 0.000 2.456 287 L HA 0.259 4.602 4.340 0.004 0.000 0.272 287 L C -1.554 175.383 176.870 0.112 0.000 1.189 287 L CA -1.643 53.269 54.840 0.121 0.000 0.846 287 L CB 1.165 43.253 42.059 0.049 0.000 1.111 287 L HN 0.638 nan 8.230 nan 0.000 0.475 288 P HA 0.083 nan 4.420 nan 0.000 0.276 288 P C -0.424 176.901 177.300 0.041 0.000 1.243 288 P CA -0.176 62.917 63.100 -0.012 0.000 0.768 288 P CB 0.984 32.624 31.700 -0.102 0.000 0.856 289 T N 2.776 117.335 114.554 0.009 0.000 2.907 289 T HA 0.366 4.718 4.350 0.004 0.000 0.284 289 T C -0.141 174.641 174.700 0.136 0.000 1.004 289 T CA -0.581 61.550 62.100 0.051 0.000 1.063 289 T CB 0.565 69.441 68.868 0.014 0.000 0.992 289 T HN 0.316 nan 8.240 nan 0.000 0.483 290 R N 2.811 123.379 120.500 0.113 0.000 2.514 290 R HA 0.553 4.896 4.340 0.004 0.000 0.301 290 R C -2.051 174.288 176.300 0.065 0.000 0.962 290 R CA -1.650 54.518 56.100 0.112 0.000 0.882 290 R CB 1.047 31.366 30.300 0.032 0.000 1.143 290 R HN 0.502 nan 8.270 nan 0.000 0.452 291 P HA 0.234 nan 4.420 nan 0.000 0.278 291 P C -0.908 176.529 177.300 0.229 0.000 1.258 291 P CA -0.381 62.774 63.100 0.092 0.000 0.811 291 P CB 0.537 32.270 31.700 0.055 0.000 1.063 292 F N 0.209 120.116 119.950 -0.071 0.000 2.418 292 F HA 0.265 4.794 4.527 0.004 0.000 0.341 292 F C 1.511 177.254 175.800 -0.095 0.000 1.120 292 F CA -1.026 56.858 58.000 -0.192 0.000 1.232 292 F CB 0.119 38.802 39.000 -0.528 0.000 1.175 292 F HN 0.291 nan 8.300 nan 0.000 0.569 293 K N 2.484 122.895 120.400 0.018 0.000 2.412 293 K HA 0.177 4.499 4.320 0.004 0.000 0.281 293 K C -0.415 176.229 176.600 0.074 0.000 1.027 293 K CA -0.141 56.150 56.287 0.006 0.000 0.989 293 K CB 0.469 32.921 32.500 -0.080 0.000 0.935 293 K HN 0.589 nan 8.250 nan 0.000 0.475 294 R N 4.056 124.614 120.500 0.098 0.000 2.338 294 R HA 0.379 4.722 4.340 0.004 0.000 0.317 294 R C -0.685 175.631 176.300 0.027 0.000 0.968 294 R CA -0.428 55.742 56.100 0.117 0.000 0.849 294 R CB 1.424 31.786 30.300 0.104 0.000 1.128 294 R HN 0.553 nan 8.270 nan 0.000 0.448 295 M N 2.114 121.715 119.600 0.001 0.000 2.267 295 M HA 0.263 4.746 4.480 0.004 0.000 0.289 295 M C -0.560 175.690 176.300 -0.084 0.000 1.043 295 M CA -0.538 54.733 55.300 -0.049 0.000 0.928 295 M CB 2.232 34.783 32.600 -0.081 0.000 1.613 295 M HN 0.727 nan 8.290 nan 0.000 0.450 296 T N 1.093 115.597 114.554 -0.084 0.000 2.868 296 T HA 0.132 4.484 4.350 0.004 0.000 0.292 296 T C 0.748 175.370 174.700 -0.130 0.000 1.028 296 T CA -0.250 61.788 62.100 -0.103 0.000 1.059 296 T CB 0.641 69.497 68.868 -0.021 0.000 0.991 296 T HN 0.708 nan 8.240 nan 0.000 0.531 297 Y N 2.082 122.189 120.300 -0.321 0.000 2.151 297 Y HA -0.092 4.460 4.550 0.004 0.000 0.284 297 Y C 2.590 178.455 175.900 -0.057 0.000 1.166 297 Y CA 1.962 59.871 58.100 -0.317 0.000 1.163 297 Y CB -1.075 37.133 38.460 -0.420 0.000 0.974 297 Y HN 0.845 nan 8.280 nan 0.000 0.511 298 A N 0.284 123.116 122.820 0.021 0.000 1.883 298 A HA -0.242 4.080 4.320 0.004 0.000 0.217 298 A C 2.033 179.578 177.584 -0.065 0.000 1.186 298 A CA 2.155 54.223 52.037 0.053 0.000 0.624 298 A CB -0.970 18.099 19.000 0.114 0.000 0.822 298 A HN 0.562 nan 8.150 nan 0.000 0.444 299 D N -0.077 120.289 120.400 -0.057 0.000 2.144 299 D HA -0.071 4.571 4.640 0.004 0.000 0.199 299 D C 2.233 178.510 176.300 -0.039 0.000 0.984 299 D CA 1.513 55.494 54.000 -0.032 0.000 0.834 299 D CB -0.429 40.355 40.800 -0.026 0.000 0.955 299 D HN 0.448 nan 8.370 nan 0.000 0.465 300 A N 1.088 123.827 122.820 -0.135 0.000 1.902 300 A HA -0.144 4.179 4.320 0.004 0.000 0.217 300 A C 2.203 179.693 177.584 -0.156 0.000 1.181 300 A CA 0.783 52.734 52.037 -0.143 0.000 0.623 300 A CB -0.413 18.464 19.000 -0.204 0.000 0.818 300 A HN 0.097 nan 8.150 nan 0.000 0.443 301 I N 0.137 120.527 120.570 -0.299 0.000 2.142 301 I HA -0.228 3.944 4.170 0.004 0.000 0.240 301 I C 2.394 178.486 176.117 -0.042 0.000 1.078 301 I CA 1.987 63.152 61.300 -0.226 0.000 1.343 301 I CB -1.214 36.643 38.000 -0.238 0.000 1.046 301 I HN 0.443 nan 8.210 nan 0.000 0.405 302 K N 0.069 120.461 120.400 -0.013 0.000 2.074 302 K HA -0.277 4.045 4.320 0.004 0.000 0.209 302 K C 2.453 179.092 176.600 0.065 0.000 1.048 302 K CA 1.797 58.099 56.287 0.025 0.000 0.926 302 K CB -0.417 32.098 32.500 0.025 0.000 0.713 302 K HN 0.226 nan 8.250 nan 0.000 0.444 303 Y N 0.860 121.164 120.300 0.006 0.000 2.145 303 Y HA -0.298 4.254 4.550 0.005 0.000 0.286 303 Y C 2.306 178.298 175.900 0.154 0.000 1.145 303 Y CA 1.801 59.968 58.100 0.110 0.000 1.148 303 Y CB -0.411 38.081 38.460 0.054 0.000 0.981 303 Y HN 0.171 nan 8.280 nan 0.000 0.507 304 C N 0.875 120.286 119.300 0.186 0.000 2.425 304 C HA -0.171 4.292 4.460 0.004 0.000 0.277 304 C C 2.450 177.501 174.990 0.103 0.000 1.280 304 C CA 1.265 60.368 59.018 0.142 0.000 1.744 304 C CB -1.270 26.509 27.740 0.064 0.000 1.989 304 C HN 0.635 nan 8.230 nan 0.000 0.491 305 N N 1.257 119.997 118.700 0.067 0.000 2.135 305 N HA -0.085 4.658 4.740 0.004 0.000 0.186 305 N C 1.184 176.653 175.510 -0.068 0.000 1.027 305 N CA 1.280 54.350 53.050 0.033 0.000 0.849 305 N CB -0.682 37.827 38.487 0.038 0.000 1.002 305 N HN 0.461 nan 8.380 nan 0.000 0.425 306 D N 0.082 120.389 120.400 -0.155 0.000 2.221 306 D HA -0.068 4.574 4.640 0.004 0.000 0.204 306 D C 0.329 176.290 176.300 -0.566 0.000 0.982 306 D CA 1.282 55.075 54.000 -0.346 0.000 0.857 306 D CB -0.036 40.512 40.800 -0.420 0.000 0.934 306 D HN 0.474 nan 8.370 nan 0.000 0.475 314 K N 2.842 123.136 120.400 -0.176 0.000 2.459 314 K HA 0.395 4.717 4.320 0.004 0.000 0.218 314 K C -2.507 173.850 176.600 -0.405 0.000 1.067 314 K CA -1.728 54.344 56.287 -0.359 0.000 1.045 314 K CB 0.566 32.755 32.500 -0.518 0.000 1.623 314 K HN 0.026 nan 8.250 nan 0.000 0.509 315 P HA 0.106 nan 4.420 nan 0.000 0.273 315 P C -0.658 176.600 177.300 -0.071 0.000 1.319 315 P CA -0.255 62.788 63.100 -0.094 0.000 0.885 315 P CB -0.041 31.634 31.700 -0.041 0.000 1.015 316 F N 1.745 121.712 119.950 0.027 0.000 2.539 316 F HA 0.190 4.720 4.527 0.005 0.000 0.340 316 F C 1.439 177.265 175.800 0.043 0.000 1.185 316 F CA 0.705 58.727 58.000 0.037 0.000 1.333 316 F CB 0.552 39.573 39.000 0.035 0.000 1.152 316 F HN 0.346 nan 8.300 nan 0.000 0.602 317 E N 0.680 121.068 120.200 0.313 0.000 2.343 317 E HA 0.186 4.538 4.350 0.004 0.000 0.278 317 E C -1.681 175.077 176.600 0.264 0.000 0.910 317 E CA -0.937 55.599 56.400 0.227 0.000 0.757 317 E CB 1.202 30.997 29.700 0.160 0.000 1.218 317 E HN 0.497 nan 8.360 nan 0.000 0.435 318 Y N 2.850 123.227 120.300 0.129 0.000 2.811 318 Y HA 0.214 4.766 4.550 0.004 0.000 0.334 318 Y C 1.239 177.276 175.900 0.228 0.000 1.247 318 Y CA 2.499 60.701 58.100 0.170 0.000 1.526 318 Y CB 0.721 39.255 38.460 0.123 0.000 1.284 318 Y HN 0.768 nan 8.280 nan 0.000 0.586 319 G N 3.387 112.134 108.800 -0.089 0.000 2.313 319 G HA2 -0.240 3.723 3.960 0.004 0.000 0.215 319 G HA3 -0.240 3.723 3.960 0.004 0.000 0.215 319 G C 0.001 174.938 174.900 0.062 0.000 1.023 319 G CA 0.035 45.127 45.100 -0.012 0.000 0.626 319 G HN 0.608 nan 8.290 nan 0.000 0.503 320 E N 1.422 121.731 120.200 0.181 0.000 2.373 320 E HA 0.430 4.782 4.350 0.004 0.000 0.267 320 E C -0.442 176.316 176.600 0.263 0.000 1.032 320 E CA -0.235 56.300 56.400 0.225 0.000 0.889 320 E CB 0.980 30.873 29.700 0.321 0.000 0.984 320 E HN 0.325 nan 8.360 nan 0.000 0.425 321 D N 2.119 122.632 120.400 0.187 0.000 2.350 321 D HA 0.064 4.707 4.640 0.004 0.000 0.249 321 D C -0.600 175.837 176.300 0.228 0.000 1.119 321 D CA -0.245 53.843 54.000 0.147 0.000 0.886 321 D CB 0.605 41.437 40.800 0.054 0.000 1.195 321 D HN 0.286 nan 8.370 nan 0.000 0.437 322 I N 3.810 124.482 120.570 0.171 0.000 2.278 322 I HA 0.067 4.239 4.170 0.004 0.000 0.296 322 I C 0.475 176.659 176.117 0.111 0.000 1.121 322 I CA -0.472 60.875 61.300 0.078 0.000 1.267 322 I CB 0.075 38.071 38.000 -0.006 0.000 1.447 322 I HN 0.298 nan 8.210 nan 0.000 0.509 323 S N 4.596 120.399 115.700 0.171 0.000 2.580 323 S HA -0.051 4.422 4.470 0.004 0.000 0.266 323 S C 1.429 176.089 174.600 0.100 0.000 1.354 323 S CA -0.550 57.724 58.200 0.124 0.000 1.008 323 S CB 0.726 64.008 63.200 0.138 0.000 0.898 323 S HN 0.804 nan 8.310 nan 0.000 0.555 324 E N 1.076 121.324 120.200 0.079 0.000 2.110 324 E HA -0.207 4.145 4.350 0.004 0.000 0.193 324 E C 2.086 178.721 176.600 0.059 0.000 0.988 324 E CA 1.389 57.825 56.400 0.059 0.000 0.804 324 E CB -0.553 29.182 29.700 0.057 0.000 0.745 324 E HN 0.616 nan 8.360 nan 0.000 0.458 325 K N 1.329 121.774 120.400 0.075 0.000 2.009 325 K HA -0.090 4.233 4.320 0.004 0.000 0.210 325 K C 0.213 176.865 176.600 0.087 0.000 1.049 325 K CA 1.690 58.020 56.287 0.072 0.000 0.929 325 K CB -2.008 30.536 32.500 0.074 0.000 0.714 325 K HN 0.281 nan 8.250 nan 0.000 0.440 326 P HA -0.136 nan 4.420 nan 0.000 0.216 326 P C 1.200 178.541 177.300 0.068 0.000 1.150 326 P CA 1.271 64.461 63.100 0.149 0.000 0.837 326 P CB 0.019 31.873 31.700 0.257 0.000 0.786 327 E N -0.519 119.708 120.200 0.045 0.000 2.031 327 E HA -0.221 4.132 4.350 0.004 0.000 0.193 327 E C 2.299 178.894 176.600 -0.009 0.000 0.994 327 E CA 0.874 57.280 56.400 0.009 0.000 0.800 327 E CB -0.207 29.504 29.700 0.019 0.000 0.752 327 E HN -0.011 nan 8.360 nan 0.000 0.447 328 R N 0.707 121.208 120.500 0.000 0.000 2.127 328 R HA -0.209 4.134 4.340 0.004 0.000 0.238 328 R C 2.423 178.719 176.300 -0.006 0.000 1.134 328 R CA 1.840 57.932 56.100 -0.012 0.000 0.975 328 R CB -0.131 30.168 30.300 -0.002 0.000 0.865 328 R HN 0.230 nan 8.270 nan 0.000 0.447 329 Q N 0.380 120.192 119.800 0.019 0.000 2.046 329 Q HA -0.230 4.113 4.340 0.004 0.000 0.200 329 Q C 2.163 178.183 176.000 0.034 0.000 0.975 329 Q CA 1.890 57.714 55.803 0.034 0.000 0.836 329 Q CB -0.151 28.626 28.738 0.066 0.000 0.896 329 Q HN 0.468 nan 8.270 nan 0.000 0.428 330 M N 0.027 119.646 119.600 0.032 0.000 2.159 330 M HA -0.137 4.346 4.480 0.004 0.000 0.263 330 M C 1.589 177.803 176.300 -0.142 0.000 1.063 330 M CA 2.000 57.297 55.300 -0.004 0.000 1.110 330 M CB -0.016 32.558 32.600 -0.044 0.000 1.374 330 M HN 0.134 nan 8.290 nan 0.000 0.411 331 T N 0.325 114.808 114.554 -0.119 0.000 2.812 331 T HA -0.101 4.252 4.350 0.004 0.000 0.264 331 T C 1.100 175.732 174.700 -0.113 0.000 1.042 331 T CA 1.657 63.668 62.100 -0.148 0.000 1.140 331 T CB -0.427 68.362 68.868 -0.132 0.000 0.870 331 T HN 0.453 nan 8.240 nan 0.000 0.445 332 D N 0.966 121.326 120.400 -0.065 0.000 2.144 332 D HA -0.054 4.588 4.640 0.004 0.000 0.199 332 D C 2.256 178.532 176.300 -0.040 0.000 0.984 332 D CA 0.913 54.888 54.000 -0.042 0.000 0.834 332 D CB -0.028 40.760 40.800 -0.021 0.000 0.955 332 D HN 0.485 nan 8.370 nan 0.000 0.465 333 E N -0.075 120.105 120.200 -0.034 0.000 2.028 333 E HA -0.100 4.253 4.350 0.004 0.000 0.191 333 E C 2.265 178.834 176.600 -0.051 0.000 0.988 333 E CA 0.540 56.930 56.400 -0.017 0.000 0.799 333 E CB -0.046 29.680 29.700 0.043 0.000 0.755 333 E HN 0.296 nan 8.360 nan 0.000 0.447 334 I N 0.013 120.508 120.570 -0.124 0.000 2.264 334 I HA -0.176 3.996 4.170 0.004 0.000 0.248 334 I C 1.587 177.633 176.117 -0.117 0.000 1.111 334 I CA 1.176 62.377 61.300 -0.164 0.000 1.382 334 I CB -0.307 37.511 38.000 -0.303 0.000 1.060 334 I HN 0.377 nan 8.210 nan 0.000 0.418 335 G N 0.926 109.660 108.800 -0.110 0.000 2.132 335 G HA2 -0.243 3.719 3.960 0.004 0.000 0.228 335 G HA3 -0.243 3.719 3.960 0.004 0.000 0.228 335 G C 0.092 174.935 174.900 -0.095 0.000 1.000 335 G CA -0.051 45.002 45.100 -0.078 0.000 0.693 335 G HN 0.616 nan 8.290 nan 0.000 0.515 336 C N -3.753 115.456 119.300 -0.152 0.000 3.321 336 C HA 0.832 5.294 4.460 0.004 0.000 0.329 336 C C -2.680 172.111 174.990 -0.331 0.000 1.394 336 C CA -1.898 56.994 59.018 -0.209 0.000 1.291 336 C CB 1.237 28.861 27.740 -0.192 0.000 1.606 336 C HN 0.161 nan 8.230 nan 0.000 0.463 337 P HA 0.434 nan 4.420 nan 0.000 0.266 337 P C -0.818 176.097 177.300 -0.641 0.000 1.195 337 P CA 0.512 63.153 63.100 -0.764 0.000 0.768 337 P CB 0.189 31.026 31.700 -1.439 0.000 0.838 338 I N 2.664 122.919 120.570 -0.525 0.000 2.571 338 I HA 0.262 4.435 4.170 0.004 0.000 0.289 338 I C -0.542 175.436 176.117 -0.231 0.000 1.115 338 I CA -0.796 60.309 61.300 -0.326 0.000 1.045 338 I CB 1.454 39.322 38.000 -0.220 0.000 1.238 338 I HN 0.098 nan 8.210 nan 0.000 0.424 339 F N 6.089 126.034 119.950 -0.008 0.000 2.445 339 F HA 0.338 4.866 4.527 0.003 0.000 0.359 339 F C 0.511 176.300 175.800 -0.018 0.000 1.101 339 F CA -0.154 57.856 58.000 0.017 0.000 1.177 339 F CB 0.746 39.758 39.000 0.020 0.000 1.110 339 F HN 0.288 nan 8.300 nan 0.000 0.522 340 M N 6.719 126.447 119.600 0.213 0.000 2.101 340 M HA 0.487 4.970 4.480 0.004 0.000 0.340 340 M C -0.672 175.629 176.300 0.001 0.000 1.057 340 M CA -0.402 54.934 55.300 0.060 0.000 0.984 340 M CB 0.790 33.453 32.600 0.106 0.000 1.560 340 M HN 0.638 nan 8.290 nan 0.000 0.435 341 I N 0.442 120.914 120.570 -0.163 0.000 3.067 341 I HA 0.521 4.693 4.170 0.004 0.000 0.312 341 I C -0.635 175.311 176.117 -0.284 0.000 1.073 341 I CA -0.796 60.419 61.300 -0.142 0.000 1.016 341 I CB 1.799 39.740 38.000 -0.100 0.000 1.227 341 I HN 0.883 nan 8.210 nan 0.000 0.456 342 H N 0.539 119.535 119.070 -0.124 0.000 2.680 342 H HA -0.151 4.408 4.556 0.004 0.000 0.328 342 H C -1.133 174.107 175.328 -0.147 0.000 1.139 342 H CA -0.030 55.933 56.048 -0.141 0.000 1.124 342 H CB -1.477 28.204 29.762 -0.135 0.000 1.584 342 H HN 0.382 nan 8.280 nan 0.000 0.410 343 F N 0.945 120.923 119.950 0.047 0.000 2.406 343 F HA 0.221 4.750 4.527 0.004 0.000 0.327 343 F C -1.478 174.209 175.800 -0.188 0.000 1.153 343 F CA -2.221 55.676 58.000 -0.171 0.000 1.218 343 F CB 0.150 39.011 39.000 -0.232 0.000 1.215 343 F HN 0.017 nan 8.300 nan 0.000 0.570 344 P HA 0.098 nan 4.420 nan 0.000 0.271 344 P C 0.041 177.300 177.300 -0.070 0.000 1.218 344 P CA 0.171 63.221 63.100 -0.083 0.000 0.780 344 P CB 0.831 32.419 31.700 -0.186 0.000 0.901 345 S N 1.927 117.604 115.700 -0.038 0.000 2.359 345 S HA -0.222 4.250 4.470 0.004 0.000 0.224 345 S C 2.238 176.794 174.600 -0.073 0.000 1.035 345 S CA 2.110 60.275 58.200 -0.057 0.000 1.018 345 S CB -1.028 62.149 63.200 -0.038 0.000 0.876 345 S HN 0.639 nan 8.310 nan 0.000 0.448 346 K N 1.011 121.377 120.400 -0.056 0.000 2.218 346 K HA 0.054 4.376 4.320 0.004 0.000 0.205 346 K C 1.821 178.368 176.600 -0.088 0.000 1.046 346 K CA 1.828 58.081 56.287 -0.057 0.000 0.933 346 K CB -0.838 31.642 32.500 -0.032 0.000 0.728 346 K HN 0.548 nan 8.250 nan 0.000 0.454 347 M N -0.793 118.733 119.600 -0.124 0.000 2.510 347 M HA 0.076 4.558 4.480 0.004 0.000 0.256 347 M C -0.095 176.094 176.300 -0.185 0.000 1.132 347 M CA 0.665 55.867 55.300 -0.164 0.000 1.105 347 M CB 0.587 33.043 32.600 -0.240 0.000 1.375 347 M HN 0.062 nan 8.290 nan 0.000 0.477 348 K N 0.160 120.454 120.400 -0.177 0.000 2.346 348 K HA 0.594 4.917 4.320 0.004 0.000 0.238 348 K C -0.739 175.714 176.600 -0.246 0.000 1.039 348 K CA -0.447 55.709 56.287 -0.218 0.000 0.861 348 K CB 1.332 33.710 32.500 -0.203 0.000 1.278 348 K HN 0.071 nan 8.250 nan 0.000 0.460 349 A N 0.636 123.227 122.820 -0.381 0.000 2.448 349 A HA 0.146 4.469 4.320 0.004 0.000 0.239 349 A C 1.093 178.327 177.584 -0.584 0.000 1.080 349 A CA 0.120 51.831 52.037 -0.543 0.000 0.779 349 A CB -0.420 17.942 19.000 -1.064 0.000 1.026 349 A HN 0.724 nan 8.150 nan 0.000 0.499 350 F N -0.207 119.443 119.950 -0.501 0.000 2.269 350 F HA -0.156 4.374 4.527 0.005 0.000 0.301 350 F C 1.456 177.074 175.800 -0.303 0.000 1.082 350 F CA 1.296 59.075 58.000 -0.368 0.000 1.360 350 F CB -0.861 37.910 39.000 -0.382 0.000 1.041 350 F HN 0.609 nan 8.300 nan 0.000 0.512 351 Y N -0.330 119.345 120.300 -1.041 0.000 2.546 351 Y HA 0.372 4.925 4.550 0.004 0.000 0.287 351 Y C 0.728 176.451 175.900 -0.295 0.000 1.158 351 Y CA -1.318 56.359 58.100 -0.706 0.000 1.307 351 Y CB -1.277 36.717 38.460 -0.778 0.000 1.036 351 Y HN 0.010 nan 8.280 nan 0.000 0.532 352 M N 2.426 121.853 119.600 -0.289 0.000 2.162 352 M HA 0.198 4.680 4.480 0.004 0.000 0.356 352 M C 0.267 176.532 176.300 -0.058 0.000 1.303 352 M CA -0.259 54.982 55.300 -0.099 0.000 1.116 352 M CB 0.896 33.391 32.600 -0.176 0.000 1.632 352 M HN 0.324 nan 8.290 nan 0.000 0.469 353 S N 3.420 119.117 115.700 -0.006 0.000 2.576 353 S HA 0.350 4.822 4.470 0.004 0.000 0.276 353 S C -0.094 174.482 174.600 -0.040 0.000 1.339 353 S CA -0.890 57.308 58.200 -0.004 0.000 1.039 353 S CB 0.914 64.143 63.200 0.049 0.000 0.902 353 S HN 0.450 nan 8.310 nan 0.000 0.516 354 K N 1.338 121.713 120.400 -0.042 0.000 2.090 354 K HA 0.411 4.733 4.320 0.004 0.000 0.250 354 K C -0.413 176.132 176.600 -0.090 0.000 1.004 354 K CA -0.846 55.402 56.287 -0.065 0.000 0.919 354 K CB 0.682 33.155 32.500 -0.045 0.000 1.045 354 K HN 0.507 nan 8.250 nan 0.000 0.471 355 V N 3.706 123.535 119.914 -0.142 0.000 2.488 355 V HA 0.107 4.229 4.120 0.004 0.000 0.277 355 V C -2.099 173.957 176.094 -0.063 0.000 1.046 355 V CA -1.735 60.449 62.300 -0.194 0.000 0.986 355 V CB 0.672 32.247 31.823 -0.414 0.000 0.989 355 V HN 0.551 nan 8.190 nan 0.000 0.475 356 P HA 0.198 nan 4.420 nan 0.000 0.262 356 P C 1.010 178.338 177.300 0.046 0.000 1.199 356 P CA 1.448 64.555 63.100 0.011 0.000 0.763 356 P CB 0.495 32.211 31.700 0.026 0.000 0.790 357 G N 3.073 111.876 108.800 0.006 0.000 2.317 357 G HA2 -0.222 3.741 3.960 0.004 0.000 0.227 357 G HA3 -0.222 3.741 3.960 0.004 0.000 0.227 357 G C -0.004 174.760 174.900 -0.227 0.000 1.042 357 G CA -0.255 44.802 45.100 -0.071 0.000 0.623 357 G HN 0.638 nan 8.290 nan 0.000 0.509 358 H N 1.101 120.129 119.070 -0.071 0.000 2.418 358 H HA 0.472 5.031 4.556 0.004 0.000 0.238 358 H C -1.833 173.454 175.328 -0.069 0.000 1.403 358 H CA -1.481 54.526 56.048 -0.068 0.000 1.419 358 H CB 1.468 31.176 29.762 -0.089 0.000 1.463 358 H HN 0.149 nan 8.280 nan 0.000 0.515 359 P HA -0.178 nan 4.420 nan 0.000 0.223 359 P C 1.226 178.532 177.300 0.010 0.000 1.144 359 P CA 1.155 64.254 63.100 -0.002 0.000 0.783 359 P CB 0.376 32.066 31.700 -0.017 0.000 0.771 360 D N -1.219 119.206 120.400 0.041 0.000 2.317 360 D HA -0.073 4.570 4.640 0.004 0.000 0.211 360 D C 0.582 176.916 176.300 0.057 0.000 0.966 360 D CA 0.596 54.631 54.000 0.058 0.000 0.876 360 D CB -0.377 40.482 40.800 0.100 0.000 0.927 360 D HN 0.194 nan 8.370 nan 0.000 0.519 361 L N 0.750 121.995 121.223 0.037 0.000 2.334 361 L HA 0.396 4.739 4.340 0.004 0.000 0.272 361 L C 0.475 177.305 176.870 -0.066 0.000 1.020 361 L CA -0.843 53.993 54.840 -0.006 0.000 0.812 361 L CB 1.968 43.991 42.059 -0.060 0.000 1.264 361 L HN -0.087 nan 8.230 nan 0.000 0.439 362 T N -2.788 111.737 114.554 -0.048 0.000 2.945 362 T HA 0.320 4.672 4.350 0.004 0.000 0.286 362 T C -0.092 174.544 174.700 -0.106 0.000 1.025 362 T CA -0.913 61.148 62.100 -0.064 0.000 1.039 362 T CB 1.562 70.417 68.868 -0.022 0.000 1.068 362 T HN 0.513 nan 8.240 nan 0.000 0.497 363 E N 1.999 122.093 120.200 -0.177 0.000 2.110 363 E HA 0.268 4.621 4.350 0.004 0.000 0.300 363 E C -0.084 176.411 176.600 -0.175 0.000 1.278 363 E CA -0.417 55.717 56.400 -0.442 0.000 1.365 363 E CB -0.021 29.439 29.700 -0.398 0.000 1.283 363 E HN 0.714 nan 8.360 nan 0.000 0.490 364 S N -0.204 115.525 115.700 0.049 0.000 2.607 364 S HA 0.662 5.134 4.470 0.004 0.000 0.303 364 S C -0.471 174.442 174.600 0.522 0.000 1.086 364 S CA -0.912 57.488 58.200 0.333 0.000 0.995 364 S CB 2.536 65.924 63.200 0.313 0.000 1.084 364 S HN 0.114 nan 8.310 nan 0.000 0.507 365 V N 1.145 121.345 119.914 0.476 0.000 2.711 365 V HA 0.507 4.629 4.120 0.004 0.000 0.304 365 V C -2.177 174.130 176.094 0.356 0.000 1.097 365 V CA -0.566 61.971 62.300 0.394 0.000 0.906 365 V CB 1.962 33.873 31.823 0.147 0.000 1.015 365 V HN 1.016 nan 8.190 nan 0.000 0.427 366 D N 5.756 126.406 120.400 0.416 0.000 2.344 366 D HA 0.379 5.021 4.640 0.004 0.000 0.239 366 D C -0.533 175.929 176.300 0.269 0.000 1.064 366 D CA -0.152 54.027 54.000 0.299 0.000 0.829 366 D CB 2.147 43.115 40.800 0.279 0.000 1.129 366 D HN 0.483 nan 8.370 nan 0.000 0.506 367 L N 3.587 124.939 121.223 0.215 0.000 2.315 367 L HA 0.310 4.652 4.340 0.004 0.000 0.283 367 L C -1.082 175.757 176.870 -0.053 0.000 1.089 367 L CA -0.086 54.817 54.840 0.104 0.000 0.833 367 L CB 0.118 42.239 42.059 0.102 0.000 1.170 367 L HN 0.263 nan 8.230 nan 0.000 0.442 368 L N 6.071 127.212 121.223 -0.137 0.000 2.296 368 L HA 0.509 4.851 4.340 0.004 0.000 0.286 368 L C -0.335 176.351 176.870 -0.306 0.000 1.023 368 L CA -0.505 54.232 54.840 -0.172 0.000 0.812 368 L CB 1.626 43.612 42.059 -0.121 0.000 1.223 368 L HN 0.622 nan 8.230 nan 0.000 0.421 369 M N 5.228 124.637 119.600 -0.319 0.000 2.311 369 M HA 0.494 4.976 4.480 0.004 0.000 0.325 369 M C -2.457 173.688 176.300 -0.258 0.000 1.061 369 M CA -2.033 52.998 55.300 -0.448 0.000 0.957 369 M CB 2.139 34.316 32.600 -0.705 0.000 1.646 369 M HN 0.120 nan 8.290 nan 0.000 0.434 370 P HA 0.221 nan 4.420 nan 0.000 0.262 370 P C 0.534 177.890 177.300 0.093 0.000 1.182 370 P CA 1.088 64.170 63.100 -0.030 0.000 0.761 370 P CB 0.581 32.290 31.700 0.015 0.000 0.795 371 G N 1.964 110.797 108.800 0.055 0.000 2.659 371 G HA2 -0.306 3.656 3.960 0.004 0.000 0.212 371 G HA3 -0.306 3.656 3.960 0.004 0.000 0.212 371 G C 0.831 175.763 174.900 0.053 0.000 1.226 371 G CA 0.377 45.524 45.100 0.078 0.000 0.739 371 G HN 0.567 nan 8.290 nan 0.000 0.528 372 V N -0.883 119.069 119.914 0.064 0.000 3.431 372 V HA 0.623 4.745 4.120 0.004 0.000 0.253 372 V C 1.986 178.055 176.094 -0.041 0.000 1.184 372 V CA 1.645 63.956 62.300 0.019 0.000 1.104 372 V CB -0.146 31.710 31.823 0.055 0.000 0.799 372 V HN 2.543 nan 8.190 nan 0.000 0.462 373 G N 0.993 109.755 108.800 -0.064 0.000 2.498 373 G HA2 -0.323 3.639 3.960 0.004 0.000 0.245 373 G HA3 -0.323 3.639 3.960 0.004 0.000 0.245 373 G C -0.118 174.723 174.900 -0.099 0.000 1.204 373 G CA 0.329 45.383 45.100 -0.077 0.000 0.933 373 G HN 0.893 nan 8.290 nan 0.000 0.574 374 E N 1.185 121.339 120.200 -0.076 0.000 2.328 374 E HA 0.329 4.682 4.350 0.004 0.000 0.265 374 E C 1.674 178.230 176.600 -0.074 0.000 1.057 374 E CA 0.350 56.713 56.400 -0.060 0.000 0.916 374 E CB -0.035 29.646 29.700 -0.032 0.000 0.993 374 E HN 0.690 nan 8.360 nan 0.000 0.446 375 I N 1.622 122.149 120.570 -0.071 0.000 3.708 375 I HA 0.195 4.367 4.170 0.004 0.000 0.302 375 I C -0.292 175.837 176.117 0.020 0.000 1.255 375 I CA -0.304 60.967 61.300 -0.048 0.000 1.362 375 I CB 0.745 38.691 38.000 -0.090 0.000 1.100 375 I HN 0.083 nan 8.210 nan 0.000 0.434 376 V N 1.433 121.377 119.914 0.049 0.000 2.841 376 V HA 0.824 4.947 4.120 0.004 0.000 0.310 376 V C -0.091 176.094 176.094 0.151 0.000 1.090 376 V CA -0.506 61.871 62.300 0.129 0.000 0.930 376 V CB 1.583 33.481 31.823 0.126 0.000 1.014 376 V HN 0.291 nan 8.190 nan 0.000 0.425 377 G N 1.171 110.090 108.800 0.198 0.000 2.666 377 G HA2 0.771 4.733 3.960 0.004 0.000 0.303 377 G HA3 0.771 4.733 3.960 0.004 0.000 0.303 377 G C -0.469 174.587 174.900 0.260 0.000 1.412 377 G CA -0.059 45.158 45.100 0.195 0.000 0.979 377 G HN 1.173 nan 8.290 nan 0.000 0.507 378 G N -0.329 108.630 108.800 0.266 0.000 2.727 378 G HA2 0.920 4.882 3.960 0.004 0.000 0.289 378 G HA3 0.920 4.882 3.960 0.004 0.000 0.289 378 G C -0.701 174.379 174.900 0.300 0.000 1.418 378 G CA 0.075 45.358 45.100 0.306 0.000 0.818 378 G HN 1.779 nan 8.290 nan 0.000 0.486 379 S N -1.025 114.859 115.700 0.308 0.000 2.595 379 S HA 0.600 5.073 4.470 0.004 0.000 0.270 379 S C -0.834 173.930 174.600 0.272 0.000 1.145 379 S CA -0.862 57.527 58.200 0.315 0.000 0.825 379 S CB 1.460 64.819 63.200 0.265 0.000 1.107 379 S HN 0.598 nan 8.310 nan 0.000 0.461 380 M N 2.295 122.046 119.600 0.252 0.000 2.250 380 M HA 0.498 4.981 4.480 0.004 0.000 0.344 380 M C 0.158 176.502 176.300 0.073 0.000 1.150 380 M CA -0.088 55.297 55.300 0.141 0.000 1.147 380 M CB 0.530 33.212 32.600 0.138 0.000 1.498 380 M HN 0.703 nan 8.290 nan 0.000 0.461 381 R N 1.863 122.324 120.500 -0.065 0.000 2.732 381 R HA 0.604 4.946 4.340 0.004 0.000 0.278 381 R C -0.472 175.787 176.300 -0.069 0.000 0.976 381 R CA -0.964 55.097 56.100 -0.066 0.000 0.963 381 R CB 0.604 30.823 30.300 -0.135 0.000 1.150 381 R HN 0.682 nan 8.270 nan 0.000 0.478 382 I N 3.303 123.885 120.570 0.020 0.000 2.587 382 I HA -0.053 4.119 4.170 0.004 0.000 0.284 382 I C 1.003 177.179 176.117 0.099 0.000 1.134 382 I CA 0.422 61.754 61.300 0.052 0.000 1.410 382 I CB 0.312 38.320 38.000 0.014 0.000 1.392 382 I HN 0.677 nan 8.210 nan 0.000 0.545 383 W N 6.127 127.370 121.300 -0.095 0.000 2.846 383 W HA 0.290 4.954 4.660 0.006 0.000 0.391 383 W C -0.224 176.299 176.519 0.006 0.000 1.011 383 W CA -0.433 56.885 57.345 -0.045 0.000 1.832 383 W CB -0.474 28.949 29.460 -0.061 0.000 1.151 383 W HN 0.380 nan 8.180 nan 0.000 0.582 384 N N 1.721 120.203 118.700 -0.362 0.000 2.426 384 N HA -0.002 4.741 4.740 0.004 0.000 0.275 384 N C 0.375 175.829 175.510 -0.094 0.000 1.019 384 N CA -0.419 52.432 53.050 -0.331 0.000 0.941 384 N CB 1.103 39.361 38.487 -0.381 0.000 1.123 384 N HN 0.030 nan 8.380 nan 0.000 0.486 385 Y N 4.020 124.236 120.300 -0.139 0.000 2.081 385 Y HA -0.241 4.311 4.550 0.004 0.000 0.280 385 Y C 1.491 177.361 175.900 -0.049 0.000 1.163 385 Y CA 1.944 59.995 58.100 -0.082 0.000 1.135 385 Y CB 0.148 38.549 38.460 -0.099 0.000 0.970 385 Y HN 0.572 nan 8.280 nan 0.000 0.498 386 D N -0.054 120.396 120.400 0.082 0.000 2.144 386 D HA -0.188 4.455 4.640 0.004 0.000 0.200 386 D C 2.066 178.335 176.300 -0.053 0.000 0.978 386 D CA 1.439 55.446 54.000 0.012 0.000 0.833 386 D CB -0.270 40.563 40.800 0.055 0.000 0.961 386 D HN 0.590 nan 8.370 nan 0.000 0.470 387 E N -0.024 120.138 120.200 -0.062 0.000 2.085 387 E HA -0.190 4.163 4.350 0.004 0.000 0.194 387 E C 2.109 178.689 176.600 -0.034 0.000 0.994 387 E CA 0.511 56.877 56.400 -0.057 0.000 0.801 387 E CB -0.003 29.647 29.700 -0.083 0.000 0.743 387 E HN 0.068 nan 8.360 nan 0.000 0.453 388 L N 0.556 121.750 121.223 -0.047 0.000 2.005 388 L HA -0.177 4.165 4.340 0.004 0.000 0.207 388 L C 2.205 179.141 176.870 0.110 0.000 1.072 388 L CA 1.721 56.582 54.840 0.034 0.000 0.744 388 L CB -0.465 41.602 42.059 0.013 0.000 0.895 388 L HN 0.211 nan 8.230 nan 0.000 0.433 389 M N -0.621 118.928 119.600 -0.084 0.000 2.213 389 M HA -0.082 4.401 4.480 0.004 0.000 0.263 389 M C 2.233 178.554 176.300 0.035 0.000 1.062 389 M CA 1.490 56.750 55.300 -0.067 0.000 1.105 389 M CB -2.087 30.361 32.600 -0.254 0.000 1.385 389 M HN 0.439 nan 8.290 nan 0.000 0.417 390 G N -0.192 108.615 108.800 0.010 0.000 2.408 390 G HA2 -0.015 3.947 3.960 0.004 0.000 0.217 390 G HA3 -0.015 3.947 3.960 0.004 0.000 0.217 390 G C 1.696 176.616 174.900 0.034 0.000 1.150 390 G CA 1.046 46.157 45.100 0.017 0.000 0.776 390 G HN 0.528 nan 8.290 nan 0.000 0.542 391 A N 0.326 123.174 122.820 0.045 0.000 1.883 391 A HA -0.042 4.280 4.320 0.004 0.000 0.217 391 A C 2.190 179.772 177.584 -0.002 0.000 1.186 391 A CA 1.606 53.661 52.037 0.030 0.000 0.624 391 A CB -0.781 18.251 19.000 0.053 0.000 0.822 391 A HN 0.381 nan 8.150 nan 0.000 0.444 392 Y N -0.136 120.147 120.300 -0.029 0.000 2.114 392 Y HA -0.276 4.276 4.550 0.004 0.000 0.282 392 Y C 2.546 178.374 175.900 -0.120 0.000 1.165 392 Y CA 2.243 60.254 58.100 -0.149 0.000 1.148 392 Y CB -0.266 38.107 38.460 -0.145 0.000 0.972 392 Y HN 0.277 nan 8.280 nan 0.000 0.504 393 K N 0.261 120.714 120.400 0.089 0.000 2.009 393 K HA -0.162 4.160 4.320 0.004 0.000 0.210 393 K C 2.250 178.852 176.600 0.002 0.000 1.049 393 K CA 1.537 57.844 56.287 0.033 0.000 0.929 393 K CB -0.793 31.721 32.500 0.024 0.000 0.714 393 K HN 0.213 nan 8.250 nan 0.000 0.440 394 A N 0.644 123.460 122.820 -0.006 0.000 1.908 394 A HA -0.165 4.157 4.320 0.004 0.000 0.218 394 A C 1.539 179.102 177.584 -0.035 0.000 1.181 394 A CA 2.082 54.108 52.037 -0.018 0.000 0.627 394 A CB -0.717 18.273 19.000 -0.016 0.000 0.818 394 A HN 0.489 nan 8.150 nan 0.000 0.445 395 N N -0.460 118.203 118.700 -0.062 0.000 2.449 395 N HA 0.258 5.000 4.740 0.004 0.000 0.191 395 N C 1.008 176.464 175.510 -0.090 0.000 1.161 395 N CA 0.931 53.926 53.050 -0.093 0.000 0.863 395 N CB -0.030 38.361 38.487 -0.160 0.000 0.980 395 N HN 0.608 nan 8.380 nan 0.000 0.458 396 G N 0.339 109.106 108.800 -0.054 0.000 2.258 396 G HA2 -0.294 3.668 3.960 0.004 0.000 0.274 396 G HA3 -0.294 3.668 3.960 0.004 0.000 0.274 396 G C -0.177 174.704 174.900 -0.032 0.000 1.021 396 G CA 0.175 45.256 45.100 -0.032 0.000 0.798 396 G HN 0.337 nan 8.290 nan 0.000 0.507 397 L N -0.427 120.768 121.223 -0.048 0.000 2.334 397 L HA 0.425 4.768 4.340 0.004 0.000 0.275 397 L C 0.437 177.350 176.870 0.072 0.000 1.036 397 L CA -1.187 53.639 54.840 -0.023 0.000 0.807 397 L CB 1.332 43.291 42.059 -0.167 0.000 1.231 397 L HN 0.128 nan 8.230 nan 0.000 0.438 398 N N 3.874 122.628 118.700 0.090 0.000 2.420 398 N HA 0.155 4.897 4.740 0.004 0.000 0.262 398 N C -1.856 173.710 175.510 0.094 0.000 1.144 398 N CA -1.562 51.533 53.050 0.075 0.000 0.952 398 N CB 1.095 39.625 38.487 0.071 0.000 1.081 398 N HN 0.277 nan 8.380 nan 0.000 0.480 399 P HA 0.128 nan 4.420 nan 0.000 0.255 399 P C -0.185 177.037 177.300 -0.131 0.000 1.248 399 P CA 0.232 63.083 63.100 -0.416 0.000 0.807 399 P CB 0.666 31.885 31.700 -0.801 0.000 1.150 400 D N 1.246 121.630 120.400 -0.028 0.000 2.117 400 D HA -0.073 4.569 4.640 0.004 0.000 0.198 400 D C -0.702 175.648 176.300 0.082 0.000 0.982 400 D CA 1.272 55.285 54.000 0.022 0.000 0.828 400 D CB -1.937 38.872 40.800 0.014 0.000 0.967 400 D HN 0.278 nan 8.370 nan 0.000 0.464 401 P HA -0.089 nan 4.420 nan 0.000 0.225 401 P C 0.233 177.350 177.300 -0.304 0.000 1.148 401 P CA 0.903 63.929 63.100 -0.123 0.000 0.779 401 P CB -0.152 31.321 31.700 -0.378 0.000 0.780 402 Y N -2.022 118.173 120.300 -0.174 0.000 2.746 402 Y HA 0.136 4.689 4.550 0.004 0.000 0.312 402 Y C 1.733 177.260 175.900 -0.621 0.000 1.117 402 Y CA -0.955 56.768 58.100 -0.627 0.000 1.324 402 Y CB -1.381 36.833 38.460 -0.410 0.000 1.173 402 Y HN 0.070 nan 8.280 nan 0.000 0.529 403 Y N -1.330 118.851 120.300 -0.198 0.000 2.114 403 Y HA -0.322 4.231 4.550 0.004 0.000 0.282 403 Y C 1.979 177.907 175.900 0.046 0.000 1.165 403 Y CA 1.294 59.381 58.100 -0.022 0.000 1.148 403 Y CB -1.219 37.295 38.460 0.091 0.000 0.972 403 Y HN 0.366 nan 8.280 nan 0.000 0.504 404 W N -0.724 120.277 121.300 -0.498 0.000 2.465 404 W HA -0.168 4.495 4.660 0.004 0.000 0.268 404 W C 1.603 178.154 176.519 0.053 0.000 1.242 404 W CA 0.840 58.063 57.345 -0.203 0.000 1.248 404 W CB -1.490 27.745 29.460 -0.375 0.000 1.118 404 W HN 0.259 nan 8.180 nan 0.000 0.587 405 Y N 2.697 122.636 120.300 -0.602 0.000 2.262 405 Y HA -0.046 4.506 4.550 0.004 0.000 0.295 405 Y C 2.739 178.579 175.900 -0.100 0.000 1.121 405 Y CA 2.727 60.607 58.100 -0.366 0.000 1.144 405 Y CB -0.611 37.422 38.460 -0.712 0.000 1.043 405 Y HN -0.225 nan 8.280 nan 0.000 0.528 406 T N 0.532 115.063 114.554 -0.040 0.000 2.746 406 T HA -0.205 4.147 4.350 0.004 0.000 0.267 406 T C 1.623 176.368 174.700 0.075 0.000 1.039 406 T CA 1.803 63.892 62.100 -0.019 0.000 1.142 406 T CB -0.231 68.618 68.868 -0.033 0.000 0.866 406 T HN 0.421 nan 8.240 nan 0.000 0.444 407 Q N 0.387 120.263 119.800 0.128 0.000 2.437 407 Q HA -0.059 4.283 4.340 0.004 0.000 0.210 407 Q C 2.418 178.482 176.000 0.106 0.000 0.972 407 Q CA 0.595 56.487 55.803 0.148 0.000 0.903 407 Q CB -0.014 28.900 28.738 0.294 0.000 0.967 407 Q HN 0.435 nan 8.270 nan 0.000 0.486 408 Q N 0.154 119.994 119.800 0.067 0.000 2.170 408 Q HA -0.128 4.214 4.340 0.004 0.000 0.203 408 Q C 1.703 177.734 176.000 0.053 0.000 0.976 408 Q CA 1.180 57.008 55.803 0.043 0.000 0.858 408 Q CB -0.000 28.698 28.738 -0.066 0.000 0.907 408 Q HN 0.197 nan 8.270 nan 0.000 0.433 409 R N 0.417 120.955 120.500 0.063 0.000 2.193 409 R HA 0.011 4.353 4.340 0.004 0.000 0.213 409 R C 2.036 178.381 176.300 0.075 0.000 1.055 409 R CA 0.873 57.049 56.100 0.126 0.000 0.995 409 R CB -0.080 30.315 30.300 0.158 0.000 0.893 409 R HN 0.162 nan 8.270 nan 0.000 0.459 410 K N -0.814 119.541 120.400 -0.075 0.000 2.044 410 K HA -0.005 4.318 4.320 0.004 0.000 0.204 410 K C -0.334 176.003 176.600 -0.439 0.000 1.049 410 K CA 0.914 56.908 56.287 -0.487 0.000 0.945 410 K CB 0.256 32.172 32.500 -0.972 0.000 0.724 410 K HN 0.048 nan 8.250 nan 0.000 0.440 411 Y N 0.392 120.720 120.300 0.045 0.000 2.944 411 Y HA 0.354 4.906 4.550 0.004 0.000 0.335 411 Y C 0.285 176.223 175.900 0.064 0.000 1.075 411 Y CA -0.820 57.307 58.100 0.045 0.000 1.240 411 Y CB 1.109 39.597 38.460 0.046 0.000 1.167 411 Y HN 0.335 nan 8.280 nan 0.000 0.555 412 G N 1.065 109.978 108.800 0.188 0.000 2.248 412 G HA2 -0.255 3.707 3.960 0.004 0.000 0.252 412 G HA3 -0.255 3.707 3.960 0.004 0.000 0.252 412 G C 0.193 175.187 174.900 0.158 0.000 1.085 412 G CA 0.157 45.359 45.100 0.170 0.000 0.845 412 G HN 0.599 nan 8.290 nan 0.000 0.494 413 S N -1.030 114.785 115.700 0.192 0.000 2.573 413 S HA 0.592 5.064 4.470 0.004 0.000 0.277 413 S C 0.976 175.746 174.600 0.285 0.000 1.346 413 S CA 0.651 59.003 58.200 0.253 0.000 1.034 413 S CB 0.284 63.690 63.200 0.343 0.000 0.879 413 S HN 1.839 nan 8.310 nan 0.000 0.528 414 C N 3.458 122.828 119.300 0.117 0.000 2.994 414 C HA 0.813 5.275 4.460 0.004 0.000 0.305 414 C C -3.047 171.606 174.990 -0.562 0.000 1.251 414 C CA -2.355 56.456 59.018 -0.345 0.000 1.478 414 C CB 1.342 28.531 27.740 -0.917 0.000 1.922 414 C HN 0.641 nan 8.230 nan 0.000 0.472 415 P HA 0.279 nan 4.420 nan 0.000 0.271 415 P C -0.741 176.269 177.300 -0.483 0.000 1.226 415 P CA 1.142 63.509 63.100 -1.223 0.000 0.765 415 P CB 0.288 31.261 31.700 -1.211 0.000 0.835 416 H N 1.051 119.945 119.070 -0.293 0.000 2.990 416 H HA 0.824 5.382 4.556 0.004 0.000 0.343 416 H C -1.088 174.223 175.328 -0.028 0.000 1.270 416 H CA -1.189 54.763 56.048 -0.161 0.000 1.118 416 H CB 1.752 31.410 29.762 -0.172 0.000 1.861 416 H HN 0.589 nan 8.280 nan 0.000 0.544 417 G N -1.167 107.733 108.800 0.167 0.000 2.673 417 G HA2 0.555 4.518 3.960 0.004 0.000 0.292 417 G HA3 0.555 4.518 3.960 0.004 0.000 0.292 417 G C -1.250 173.786 174.900 0.227 0.000 1.450 417 G CA -0.230 44.975 45.100 0.176 0.000 0.837 417 G HN 0.897 nan 8.290 nan 0.000 0.505 418 G N -1.238 107.706 108.800 0.240 0.000 2.782 418 G HA2 0.936 4.899 3.960 0.004 0.000 0.304 418 G HA3 0.936 4.899 3.960 0.004 0.000 0.304 418 G C -1.500 173.605 174.900 0.342 0.000 1.315 418 G CA -0.135 45.109 45.100 0.241 0.000 0.791 418 G HN 1.792 nan 8.290 nan 0.000 0.519 419 Y N -2.856 117.536 120.300 0.153 0.000 2.677 419 Y HA 0.743 5.295 4.550 0.004 0.000 0.334 419 Y C -0.161 175.819 175.900 0.133 0.000 1.196 419 Y CA -1.101 57.092 58.100 0.155 0.000 1.059 419 Y CB 1.045 39.608 38.460 0.172 0.000 1.315 419 Y HN 1.034 nan 8.280 nan 0.000 0.455 420 G N 1.292 110.294 108.800 0.337 0.000 2.482 420 G HA2 0.647 4.609 3.960 0.004 0.000 0.317 420 G HA3 0.647 4.609 3.960 0.004 0.000 0.317 420 G C -2.373 172.781 174.900 0.423 0.000 1.241 420 G CA -1.108 44.204 45.100 0.353 0.000 0.967 420 G HN 0.968 nan 8.290 nan 0.000 0.482 421 L N 1.389 122.844 121.223 0.387 0.000 2.408 421 L HA 0.793 5.135 4.340 0.004 0.000 0.268 421 L C 0.351 177.349 176.870 0.215 0.000 0.986 421 L CA -0.931 54.057 54.840 0.246 0.000 0.820 421 L CB 2.201 44.353 42.059 0.155 0.000 1.303 421 L HN 0.643 nan 8.230 nan 0.000 0.411 422 G N 3.257 112.132 108.800 0.124 0.000 2.546 422 G HA2 0.379 4.341 3.960 0.004 0.000 0.320 422 G HA3 0.379 4.341 3.960 0.004 0.000 0.320 422 G C 0.688 175.641 174.900 0.088 0.000 0.984 422 G CA -0.370 44.795 45.100 0.108 0.000 1.183 422 G HN 0.546 nan 8.290 nan 0.000 0.443 423 V N 2.432 122.402 119.914 0.092 0.000 2.332 423 V HA -0.188 3.935 4.120 0.004 0.000 0.248 423 V C 2.792 178.957 176.094 0.117 0.000 1.055 423 V CA 2.348 64.684 62.300 0.061 0.000 1.038 423 V CB -0.145 31.697 31.823 0.031 0.000 0.651 423 V HN 0.815 nan 8.190 nan 0.000 0.450 424 E N 0.401 120.668 120.200 0.112 0.000 2.107 424 E HA -0.215 4.137 4.350 0.004 0.000 0.191 424 E C 2.219 178.871 176.600 0.086 0.000 0.982 424 E CA 0.869 57.329 56.400 0.100 0.000 0.809 424 E CB -0.462 29.294 29.700 0.094 0.000 0.756 424 E HN 0.522 nan 8.360 nan 0.000 0.459 425 R N 0.461 120.995 120.500 0.057 0.000 2.096 425 R HA -0.041 4.302 4.340 0.004 0.000 0.235 425 R C 2.601 178.968 176.300 0.112 0.000 1.127 425 R CA 1.126 57.250 56.100 0.040 0.000 0.968 425 R CB -0.370 29.912 30.300 -0.031 0.000 0.861 425 R HN 0.200 nan 8.270 nan 0.000 0.440 426 L N 0.397 121.707 121.223 0.144 0.000 2.072 426 L HA -0.132 4.211 4.340 0.004 0.000 0.205 426 L C 2.110 179.165 176.870 0.308 0.000 1.079 426 L CA 1.077 56.061 54.840 0.241 0.000 0.752 426 L CB -0.070 42.152 42.059 0.271 0.000 0.906 426 L HN -0.082 nan 8.230 nan 0.000 0.436 427 V N -0.119 119.928 119.914 0.221 0.000 2.343 427 V HA -0.366 3.756 4.120 0.004 0.000 0.247 427 V C 2.523 178.687 176.094 0.116 0.000 1.051 427 V CA 2.256 64.654 62.300 0.164 0.000 1.036 427 V CB -0.495 31.401 31.823 0.123 0.000 0.654 427 V HN 0.565 nan 8.190 nan 0.000 0.451 428 M N -1.102 118.567 119.600 0.116 0.000 2.108 428 M HA -0.286 4.196 4.480 0.004 0.000 0.257 428 M C 1.973 178.334 176.300 0.101 0.000 1.071 428 M CA 2.697 58.048 55.300 0.085 0.000 1.093 428 M CB -0.290 32.357 32.600 0.078 0.000 1.345 428 M HN 0.611 nan 8.290 nan 0.000 0.403 429 W N 0.667 121.961 121.300 -0.011 0.000 2.380 429 W HA -0.192 4.469 4.660 0.002 0.000 0.317 429 W C 1.859 178.368 176.519 -0.017 0.000 1.196 429 W CA 1.519 58.851 57.345 -0.023 0.000 1.307 429 W CB -0.823 28.620 29.460 -0.029 0.000 1.157 429 W HN 0.240 nan 8.180 nan 0.000 0.483 430 L N 0.969 122.059 121.223 -0.222 0.000 2.012 430 L HA -0.169 4.173 4.340 0.004 0.000 0.210 430 L C 2.272 178.893 176.870 -0.415 0.000 1.073 430 L CA 2.086 56.570 54.840 -0.594 0.000 0.748 430 L CB -0.897 41.098 42.059 -0.106 0.000 0.891 430 L HN 0.141 nan 8.230 nan 0.000 0.431 431 L N -0.731 120.374 121.223 -0.196 0.000 2.554 431 L HA 0.212 4.554 4.340 0.004 0.000 0.226 431 L C 1.277 178.075 176.870 -0.120 0.000 1.137 431 L CA 0.447 55.207 54.840 -0.133 0.000 0.863 431 L CB -0.926 41.091 42.059 -0.070 0.000 0.985 431 L HN 0.526 nan 8.230 nan 0.000 0.451 432 G N 1.498 110.200 108.800 -0.163 0.000 2.298 432 G HA2 -0.280 3.683 3.960 0.004 0.000 0.287 432 G HA3 -0.280 3.683 3.960 0.004 0.000 0.287 432 G C -0.140 174.725 174.900 -0.059 0.000 1.075 432 G CA 0.076 45.099 45.100 -0.128 0.000 0.960 432 G HN 0.362 nan 8.290 nan 0.000 0.502 433 E N 0.021 120.201 120.200 -0.033 0.000 2.216 433 E HA 0.462 4.814 4.350 0.004 0.000 0.279 433 E C 1.416 177.971 176.600 -0.076 0.000 0.997 433 E CA -0.192 56.200 56.400 -0.012 0.000 0.817 433 E CB 0.757 30.474 29.700 0.029 0.000 1.096 433 E HN 0.263 nan 8.360 nan 0.000 0.393 434 D N 2.643 122.943 120.400 -0.166 0.000 2.269 434 D HA -0.118 4.524 4.640 0.004 0.000 0.208 434 D C -0.141 175.812 176.300 -0.579 0.000 0.963 434 D CA 1.136 54.901 54.000 -0.392 0.000 0.864 434 D CB 0.011 40.496 40.800 -0.526 0.000 0.936 434 D HN 0.331 nan 8.370 nan 0.000 0.505 435 H N -0.583 118.493 119.070 0.010 0.000 2.806 435 H HA 0.279 4.838 4.556 0.004 0.000 0.367 435 H C 0.697 176.030 175.328 0.008 0.000 1.136 435 H CA -0.826 55.221 56.048 -0.002 0.000 1.178 435 H CB 2.464 32.222 29.762 -0.007 0.000 1.718 435 H HN -0.153 nan 8.280 nan 0.000 0.540 436 I N 1.952 122.592 120.570 0.117 0.000 2.493 436 I HA -0.216 3.956 4.170 0.004 0.000 0.254 436 I C 2.575 178.752 176.117 0.100 0.000 1.160 436 I CA 0.942 62.286 61.300 0.074 0.000 1.445 436 I CB -0.070 37.948 38.000 0.030 0.000 1.086 436 I HN 0.514 nan 8.210 nan 0.000 0.433 437 R N 0.765 121.336 120.500 0.118 0.000 2.115 437 R HA -0.168 4.174 4.340 0.004 0.000 0.230 437 R C 1.821 178.204 176.300 0.138 0.000 1.111 437 R CA 1.207 57.404 56.100 0.162 0.000 0.976 437 R CB -0.600 29.806 30.300 0.176 0.000 0.870 437 R HN 0.257 nan 8.270 nan 0.000 0.445 438 K N 0.680 121.158 120.400 0.129 0.000 2.504 438 K HA 0.031 4.353 4.320 0.004 0.000 0.195 438 K C 1.252 177.881 176.600 0.048 0.000 1.036 438 K CA 0.535 56.881 56.287 0.099 0.000 0.984 438 K CB 0.382 32.957 32.500 0.125 0.000 0.788 438 K HN 0.040 nan 8.250 nan 0.000 0.488 439 V N 0.375 120.320 119.914 0.052 0.000 3.621 439 V HA -0.000 4.122 4.120 0.004 0.000 0.285 439 V C 0.400 176.506 176.094 0.020 0.000 1.346 439 V CA 0.220 62.536 62.300 0.026 0.000 1.104 439 V CB 0.130 31.978 31.823 0.043 0.000 0.913 439 V HN 0.254 nan 8.190 nan 0.000 0.432 440 C N -0.735 118.584 119.300 0.032 0.000 2.399 440 C HA 0.462 4.925 4.460 0.004 0.000 0.348 440 C C 1.457 176.410 174.990 -0.062 0.000 1.183 440 C CA -0.605 58.421 59.018 0.014 0.000 2.023 440 C CB 1.644 29.426 27.740 0.069 0.000 2.361 440 C HN 0.415 nan 8.230 nan 0.000 0.521 441 L N 1.216 122.358 121.223 -0.135 0.000 1.960 441 L HA 0.109 4.451 4.340 0.004 0.000 0.209 441 L C -0.068 176.513 176.870 -0.482 0.000 1.090 441 L CA 1.949 56.560 54.840 -0.382 0.000 0.759 441 L CB -0.490 41.319 42.059 -0.416 0.000 0.892 441 L HN 0.698 nan 8.230 nan 0.000 0.436 442 Y N 1.389 121.710 120.300 0.034 0.000 2.805 442 Y HA 0.448 5.001 4.550 0.005 0.000 0.339 442 Y C -2.085 173.822 175.900 0.011 0.000 1.012 442 Y CA -3.571 54.542 58.100 0.022 0.000 1.262 442 Y CB -0.620 37.845 38.460 0.010 0.000 1.100 442 Y HN 0.242 nan 8.280 nan 0.000 0.559 443 P HA 0.272 nan 4.420 nan 0.000 0.272 443 P C -0.367 176.909 177.300 -0.040 0.000 1.230 443 P CA -0.401 62.763 63.100 0.106 0.000 0.788 443 P CB 1.226 33.063 31.700 0.228 0.000 0.949 444 R N 1.748 122.253 120.500 0.007 0.000 2.494 444 R HA 0.544 4.886 4.340 0.004 0.000 0.305 444 R C -0.402 175.937 176.300 0.064 0.000 0.959 444 R CA -0.476 55.582 56.100 -0.071 0.000 0.864 444 R CB 1.193 31.518 30.300 0.042 0.000 1.159 444 R HN 0.686 nan 8.270 nan 0.000 0.446 445 Y N -1.306 119.067 120.300 0.122 0.000 2.788 445 Y HA 0.341 4.894 4.550 0.004 0.000 0.335 445 Y C -0.706 175.266 175.900 0.120 0.000 1.287 445 Y CA -1.596 56.585 58.100 0.135 0.000 1.068 445 Y CB 0.224 38.750 38.460 0.110 0.000 1.340 445 Y HN 0.267 nan 8.280 nan 0.000 0.449 446 L N 3.322 124.768 121.223 0.372 0.000 2.700 446 L HA 0.139 4.481 4.340 0.004 0.000 0.276 446 L C 0.495 177.501 176.870 0.227 0.000 1.200 446 L CA 1.141 56.127 54.840 0.243 0.000 0.951 446 L CB -0.941 41.227 42.059 0.181 0.000 1.226 446 L HN 0.784 nan 8.230 nan 0.000 0.489 447 E N 2.205 122.480 120.200 0.125 0.000 3.687 447 E HA -0.251 4.101 4.350 0.004 0.000 0.319 447 E C 0.075 176.685 176.600 0.017 0.000 0.821 447 E CA 0.794 57.242 56.400 0.080 0.000 1.195 447 E CB -1.215 28.547 29.700 0.103 0.000 1.605 447 E HN 0.746 nan 8.360 nan 0.000 0.419 448 R N 0.314 120.758 120.500 -0.093 0.000 2.500 448 R HA 0.460 4.802 4.340 0.004 0.000 0.299 448 R C -0.347 175.826 176.300 -0.212 0.000 1.038 448 R CA -0.155 55.802 56.100 -0.237 0.000 0.903 448 R CB 1.149 31.088 30.300 -0.601 0.000 1.177 448 R HN 0.144 nan 8.270 nan 0.000 0.455 449 C N 3.709 122.934 119.300 -0.126 0.000 3.098 449 C HA 0.458 4.920 4.460 0.004 0.000 0.265 449 C C -0.546 174.390 174.990 -0.089 0.000 1.572 449 C CA -0.028 58.930 59.018 -0.100 0.000 1.788 449 C CB -0.824 26.871 27.740 -0.075 0.000 2.982 449 C HN 0.886 nan 8.230 nan 0.000 0.532 450 E N 0.823 120.966 120.200 -0.096 0.000 2.356 450 E HA 0.419 4.772 4.350 0.004 0.000 0.275 450 E C -2.438 174.104 176.600 -0.096 0.000 0.904 450 E CA -1.375 54.965 56.400 -0.100 0.000 0.757 450 E CB 2.313 31.964 29.700 -0.081 0.000 1.232 450 E HN 0.094 nan 8.360 nan 0.000 0.442 451 P HA 0.000 nan 4.420 nan 0.000 0.216 451 P CA 0.000 62.896 63.100 -0.340 0.000 0.800 451 P CB 0.000 31.232 31.700 -0.780 0.000 0.726