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 1t1f_1_C DATA FIRST_RESID 2 DATA SEQUENCE GSPVDIcTAK PRDIPMNPMc IYRXXXXXXX XXXXXEQKIP EATNRRVWEL DATA SEQUENCE SKANSRFATT FYQHLADSKN DNDNIFLSPL SISTAFAMTK LGAcNDTLQQ DATA SEQUENCE LMEVFKFDTI SEKTSDQIHF FFAKLNcRLY RKANKASKLV SANRLFGDKS DATA SEQUENCE LTFNETYQDI SELVYGAKLQ PLDFKENAEQ SRAAINKWVS NKTEGRITDV DATA SEQUENCE IPSEAINELT VLVLVNTIYF KGLWKSKFSP ENTRKELFYK ADGEScSASM DATA SEQUENCE MYQEGKFRYR RVAEGTQVLE LPFKGDDITM VLILPKPEKS LAKVEKELTP DATA SEQUENCE EVLQEWLDEL EEMMLcVHMP RFRIEDGFSL KEQLQDMGLV DLFSPEKSKL DATA SEQUENCE PGIVAEGRDD LYVSDAFHKA FLEVNEEGSE AAASTAVVIA GRSLNPNRVc DATA SEQUENCE FKANRPFLVF IREVPLNTII FMGRVANPcV K 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 2 G C 0.000 174.904 174.900 0.006 0.000 0.946 2 G CA 0.000 45.105 45.100 0.008 0.000 0.502 3 S N 0.270 115.972 115.700 0.005 0.000 2.541 3 S HA 0.335 4.805 4.470 -0.000 0.000 0.219 3 S C -0.581 174.021 174.600 0.003 0.000 1.025 3 S CA 0.901 59.103 58.200 0.003 0.000 0.917 3 S CB -0.730 62.471 63.200 0.002 0.000 0.859 3 S HN 0.806 nan 8.310 nan 0.000 0.584 4 P HA 0.415 nan 4.420 nan 0.000 0.297 4 P C -0.718 176.588 177.300 0.009 0.000 1.303 4 P CA -0.269 62.834 63.100 0.004 0.000 0.753 4 P CB 0.384 32.084 31.700 0.001 0.000 1.281 5 V N 0.049 119.970 119.914 0.013 0.000 2.612 5 V HA 0.168 4.288 4.120 -0.000 0.000 0.301 5 V C 0.063 176.173 176.094 0.026 0.000 1.046 5 V CA -0.762 61.550 62.300 0.020 0.000 0.946 5 V CB 1.070 32.907 31.823 0.024 0.000 1.003 5 V HN 0.671 nan 8.190 nan 0.000 0.459 6 D N 4.612 125.027 120.400 0.026 0.000 2.426 6 D HA -0.078 4.562 4.640 -0.000 0.000 0.261 6 D C 1.211 177.534 176.300 0.039 0.000 1.245 6 D CA 0.487 54.504 54.000 0.028 0.000 0.917 6 D CB 0.775 41.591 40.800 0.027 0.000 1.123 6 D HN 0.703 nan 8.370 nan 0.000 0.508 7 I N 3.920 124.513 120.570 0.038 0.000 2.248 7 I HA -0.375 3.795 4.170 -0.000 0.000 0.248 7 I C 2.169 178.314 176.117 0.046 0.000 1.107 7 I CA 1.159 62.494 61.300 0.058 0.000 1.373 7 I CB 0.146 38.167 38.000 0.035 0.000 1.055 7 I HN 0.542 nan 8.210 nan 0.000 0.418 8 c N 0.556 119.168 118.600 0.020 0.000 2.376 8 c HA -0.246 4.324 4.570 -0.000 0.000 0.275 8 c C 2.955 177.057 174.090 0.020 0.000 1.200 8 c CA 1.896 58.228 56.329 0.005 0.000 1.756 8 c CB -1.823 40.694 42.510 0.013 0.000 2.050 8 c HN 0.686 nan 8.230 nan 0.000 0.460 9 T N 0.149 114.726 114.554 0.037 0.000 2.857 9 T HA 0.173 4.523 4.350 -0.000 0.000 0.266 9 T C 0.940 175.687 174.700 0.078 0.000 1.048 9 T CA 0.875 63.003 62.100 0.047 0.000 1.139 9 T CB -0.463 68.428 68.868 0.039 0.000 0.874 9 T HN 0.617 nan 8.240 nan 0.000 0.455 10 A N 1.963 124.842 122.820 0.098 0.000 2.520 10 A HA 0.406 4.726 4.320 -0.000 0.000 0.235 10 A C 0.420 178.159 177.584 0.258 0.000 1.065 10 A CA -0.150 51.970 52.037 0.140 0.000 0.764 10 A CB 0.130 19.209 19.000 0.132 0.000 1.002 10 A HN 0.579 nan 8.150 nan 0.000 0.502 11 K N 2.027 122.566 120.400 0.232 0.000 2.288 11 K HA 0.406 4.726 4.320 -0.000 0.000 0.234 11 K C -1.774 174.847 176.600 0.035 0.000 1.037 11 K CA -1.695 54.792 56.287 0.333 0.000 0.914 11 K CB 0.768 33.371 32.500 0.173 0.000 1.197 11 K HN 0.442 nan 8.250 nan 0.000 0.471 12 P HA -0.176 nan 4.420 nan 0.000 0.218 12 P C 0.562 177.646 177.300 -0.361 0.000 1.149 12 P CA 1.313 63.909 63.100 -0.840 0.000 0.817 12 P CB 0.012 31.328 31.700 -0.640 0.000 0.785 13 R N 0.285 120.689 120.500 -0.161 0.000 4.980 13 R HA 0.444 4.784 4.340 -0.000 0.000 0.190 13 R C 0.518 176.773 176.300 -0.075 0.000 2.095 13 R CA 1.064 57.108 56.100 -0.092 0.000 1.717 13 R CB -1.925 28.354 30.300 -0.037 0.000 1.337 13 R HN 0.548 nan 8.270 nan 0.000 0.820 14 D N -1.130 119.202 120.400 -0.113 0.000 2.972 14 D HA 0.448 5.088 4.640 -0.000 0.000 0.294 14 D C -0.047 176.192 176.300 -0.100 0.000 1.211 14 D CA -0.281 53.676 54.000 -0.071 0.000 0.732 14 D CB -0.283 40.503 40.800 -0.023 0.000 1.257 14 D HN 0.916 nan 8.370 nan 0.000 0.435 15 I N -0.509 120.027 120.570 -0.058 0.000 7.627 15 I HA -0.120 4.050 4.170 -0.000 0.000 0.126 15 I C -1.944 174.118 176.117 -0.092 0.000 1.803 15 I CA 0.168 61.435 61.300 -0.055 0.000 2.130 15 I CB -1.220 36.769 38.000 -0.019 0.000 3.611 15 I HN 0.566 nan 8.210 nan 0.000 0.197 16 P HA 0.063 nan 4.420 nan 0.000 0.259 16 P C -0.335 176.917 177.300 -0.079 0.000 1.211 16 P CA 0.384 63.435 63.100 -0.081 0.000 0.810 16 P CB 0.827 32.493 31.700 -0.058 0.000 0.815 17 M N 5.079 124.619 119.600 -0.099 0.000 2.044 17 M HA 0.200 4.679 4.480 -0.000 0.000 0.333 17 M C -0.101 176.160 176.300 -0.065 0.000 1.004 17 M CA -0.382 54.870 55.300 -0.080 0.000 0.954 17 M CB 0.522 33.073 32.600 -0.081 0.000 1.468 17 M HN 0.283 nan 8.290 nan 0.000 0.414 18 N N 5.789 124.457 118.700 -0.053 0.000 2.518 18 N HA 0.515 5.255 4.740 -0.000 0.000 0.254 18 N C -2.802 172.686 175.510 -0.037 0.000 0.979 18 N CA -1.435 51.587 53.050 -0.047 0.000 0.930 18 N CB 1.080 39.540 38.487 -0.044 0.000 1.152 18 N HN 0.349 nan 8.380 nan 0.000 0.505 19 P HA 0.071 nan 4.420 nan 0.000 0.287 19 P C 0.693 177.961 177.300 -0.053 0.000 1.307 19 P CA -0.467 62.618 63.100 -0.024 0.000 0.777 19 P CB 1.735 33.434 31.700 -0.001 0.000 0.883 20 M N 2.094 121.679 119.600 -0.024 0.000 2.327 20 M HA -0.148 4.332 4.480 -0.000 0.000 0.258 20 M C -0.394 175.877 176.300 -0.049 0.000 1.079 20 M CA 1.655 56.941 55.300 -0.024 0.000 1.056 20 M CB -0.019 32.583 32.600 0.004 0.000 1.387 20 M HN 0.271 nan 8.290 nan 0.000 0.423 21 c N 0.344 118.896 118.600 -0.080 0.000 2.481 21 c HA 0.557 5.127 4.570 -0.000 0.000 0.324 21 c C 0.024 173.922 174.090 -0.320 0.000 1.170 21 c CA -1.483 54.770 56.329 -0.127 0.000 1.361 21 c CB 0.890 43.366 42.510 -0.057 0.000 1.977 21 c HN 0.271 nan 8.230 nan 0.000 0.459 22 I N 2.320 122.683 120.570 -0.345 0.000 2.783 22 I HA 0.339 4.509 4.170 -0.000 0.000 0.312 22 I C -0.150 175.675 176.117 -0.486 0.000 0.988 22 I CA -0.488 60.459 61.300 -0.589 0.000 1.182 22 I CB 1.172 39.001 38.000 -0.285 0.000 1.368 22 I HN 0.739 nan 8.210 nan 0.000 0.511 23 Y N 1.013 121.328 120.300 0.025 0.000 2.707 23 Y HA 0.505 5.055 4.550 -0.000 0.000 0.249 23 Y C 0.734 176.654 175.900 0.034 0.000 1.166 23 Y CA -0.799 57.322 58.100 0.034 0.000 1.184 23 Y CB -1.301 37.185 38.460 0.044 0.000 1.240 23 Y HN 0.503 nan 8.280 nan 0.000 0.547 38 Q N -0.383 119.431 119.800 0.023 0.000 2.434 38 Q HA 0.131 4.471 4.340 -0.000 0.000 0.288 38 Q C 0.522 176.545 176.000 0.038 0.000 1.372 38 Q CA 1.784 57.619 55.803 0.054 0.000 0.731 38 Q CB -3.236 25.564 28.738 0.104 0.000 1.126 38 Q HN 1.719 nan 8.270 nan 0.000 0.398 39 K N -0.336 120.055 120.400 -0.015 0.000 4.834 39 K HA 0.109 4.429 4.320 -0.000 0.000 0.294 39 K C 0.226 176.726 176.600 -0.167 0.000 0.659 39 K CA 1.584 57.828 56.287 -0.071 0.000 0.760 39 K CB -1.699 30.774 32.500 -0.045 0.000 2.111 39 K HN 1.558 nan 8.250 nan 0.000 0.355 40 I N 2.685 123.073 120.570 -0.303 0.000 2.353 40 I HA 0.279 4.449 4.170 -0.000 0.000 0.293 40 I C -1.743 174.041 176.117 -0.555 0.000 0.992 40 I CA -2.491 58.386 61.300 -0.705 0.000 1.268 40 I CB 1.564 39.116 38.000 -0.748 0.000 1.387 40 I HN 0.365 nan 8.210 nan 0.000 0.478 41 P HA 0.036 nan 4.420 nan 0.000 0.267 41 P C -0.441 176.687 177.300 -0.285 0.000 1.200 41 P CA -0.131 62.747 63.100 -0.370 0.000 0.772 41 P CB 0.408 31.903 31.700 -0.342 0.000 0.855 42 E N 1.626 121.717 120.200 -0.183 0.000 2.438 42 E HA 0.233 4.583 4.350 -0.000 0.000 0.261 42 E C 0.253 176.777 176.600 -0.127 0.000 1.103 42 E CA 0.331 56.648 56.400 -0.138 0.000 0.959 42 E CB 0.056 29.699 29.700 -0.095 0.000 0.958 42 E HN 0.577 nan 8.360 nan 0.000 0.447 43 A N 1.739 124.498 122.820 -0.102 0.000 2.648 43 A HA -0.162 4.158 4.320 -0.000 0.000 0.297 43 A C -0.214 177.313 177.584 -0.094 0.000 1.467 43 A CA 1.088 53.076 52.037 -0.080 0.000 0.731 43 A CB -1.939 17.024 19.000 -0.061 0.000 1.085 43 A HN 0.420 nan 8.150 nan 0.000 0.437 44 T N 1.103 115.587 114.554 -0.117 0.000 2.933 44 T HA 0.424 4.774 4.350 -0.000 0.000 0.305 44 T C -0.312 174.331 174.700 -0.095 0.000 1.092 44 T CA -0.606 61.421 62.100 -0.122 0.000 1.008 44 T CB 1.238 69.959 68.868 -0.244 0.000 1.102 44 T HN 0.563 nan 8.240 nan 0.000 0.469 45 N N 2.015 120.681 118.700 -0.056 0.000 2.401 45 N HA 0.117 4.857 4.740 -0.000 0.000 0.255 45 N C 1.299 176.773 175.510 -0.060 0.000 1.110 45 N CA -0.115 52.898 53.050 -0.062 0.000 0.949 45 N CB 0.643 39.089 38.487 -0.068 0.000 1.110 45 N HN 0.504 nan 8.380 nan 0.000 0.490 46 R N 2.735 123.188 120.500 -0.077 0.000 2.112 46 R HA -0.270 4.070 4.340 -0.000 0.000 0.242 46 R C 2.355 178.599 176.300 -0.094 0.000 1.137 46 R CA 2.693 58.763 56.100 -0.050 0.000 0.944 46 R CB -0.339 29.929 30.300 -0.054 0.000 0.857 46 R HN 0.597 nan 8.270 nan 0.000 0.435 47 R N 0.842 121.150 120.500 -0.319 0.000 2.080 47 R HA -0.097 4.243 4.340 -0.000 0.000 0.236 47 R C 2.370 178.286 176.300 -0.640 0.000 1.137 47 R CA 2.030 57.656 56.100 -0.789 0.000 0.943 47 R CB -1.682 27.531 30.300 -1.812 0.000 0.846 47 R HN 0.130 nan 8.270 nan 0.000 0.431 48 V N -0.357 119.302 119.914 -0.424 0.000 2.287 48 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 48 V C 2.313 178.339 176.094 -0.114 0.000 1.053 48 V CA 1.912 64.074 62.300 -0.231 0.000 1.027 48 V CB -0.782 30.962 31.823 -0.131 0.000 0.646 48 V HN 0.802 nan 8.190 nan 0.000 0.447 49 W N 1.204 122.383 121.300 -0.202 0.000 2.318 49 W HA -0.234 4.426 4.660 -0.000 0.000 0.313 49 W C 2.249 178.693 176.519 -0.125 0.000 1.221 49 W CA 2.349 59.609 57.345 -0.142 0.000 1.266 49 W CB -0.213 29.175 29.460 -0.120 0.000 1.150 49 W HN 0.369 nan 8.180 nan 0.000 0.496 50 E N 0.342 120.477 120.200 -0.109 0.000 2.031 50 E HA -0.274 4.076 4.350 -0.000 0.000 0.193 50 E C 2.173 178.659 176.600 -0.189 0.000 0.994 50 E CA 1.612 57.906 56.400 -0.178 0.000 0.800 50 E CB -0.676 28.999 29.700 -0.043 0.000 0.752 50 E HN 0.170 nan 8.360 nan 0.000 0.447 51 L N 1.406 122.543 121.223 -0.143 0.000 2.021 51 L HA -0.269 4.071 4.340 -0.000 0.000 0.215 51 L C 2.400 179.173 176.870 -0.160 0.000 1.074 51 L CA 2.563 57.344 54.840 -0.097 0.000 0.760 51 L CB -0.892 41.077 42.059 -0.150 0.000 0.889 51 L HN 0.119 nan 8.230 nan 0.000 0.433 52 S N -1.052 114.497 115.700 -0.252 0.000 2.356 52 S HA -0.286 4.184 4.470 -0.000 0.000 0.223 52 S C 2.119 176.539 174.600 -0.300 0.000 1.032 52 S CA 1.259 59.297 58.200 -0.271 0.000 1.005 52 S CB -0.706 62.311 63.200 -0.305 0.000 0.867 52 S HN 0.449 nan 8.310 nan 0.000 0.449 53 K N 2.049 122.180 120.400 -0.449 0.000 2.218 53 K HA 0.011 4.331 4.320 -0.000 0.000 0.205 53 K C 2.050 178.525 176.600 -0.208 0.000 1.046 53 K CA 1.289 57.328 56.287 -0.412 0.000 0.933 53 K CB -0.867 31.351 32.500 -0.471 0.000 0.728 53 K HN 0.528 nan 8.250 nan 0.000 0.454 54 A N 0.666 123.404 122.820 -0.137 0.000 1.872 54 A HA -0.123 4.197 4.320 -0.000 0.000 0.214 54 A C 1.796 179.351 177.584 -0.048 0.000 1.187 54 A CA 1.533 53.531 52.037 -0.066 0.000 0.614 54 A CB -0.544 18.481 19.000 0.041 0.000 0.826 54 A HN 0.344 nan 8.150 nan 0.000 0.442 55 N N 0.630 119.324 118.700 -0.010 0.000 2.120 55 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 55 N C 1.824 177.381 175.510 0.079 0.000 1.024 55 N CA 1.613 54.715 53.050 0.087 0.000 0.852 55 N CB -0.559 37.981 38.487 0.089 0.000 1.003 55 N HN 0.389 nan 8.380 nan 0.000 0.424 56 S N 0.732 116.419 115.700 -0.023 0.000 2.442 56 S HA 0.013 4.483 4.470 -0.000 0.000 0.236 56 S C 1.850 176.431 174.600 -0.032 0.000 1.007 56 S CA 0.642 58.818 58.200 -0.040 0.000 0.965 56 S CB 0.150 63.281 63.200 -0.116 0.000 0.773 56 S HN 0.344 nan 8.310 nan 0.000 0.504 57 R N -0.044 120.440 120.500 -0.027 0.000 2.055 57 R HA 0.051 4.390 4.340 -0.000 0.000 0.226 57 R C 2.057 178.362 176.300 0.008 0.000 1.135 57 R CA 1.176 57.260 56.100 -0.026 0.000 0.959 57 R CB -0.588 29.689 30.300 -0.039 0.000 0.854 57 R HN 0.446 nan 8.270 nan 0.000 0.431 58 F N 2.252 122.152 119.950 -0.084 0.000 2.154 58 F HA -0.234 4.293 4.527 -0.000 0.000 0.301 58 F C 2.055 177.862 175.800 0.012 0.000 1.087 58 F CA 1.080 59.031 58.000 -0.082 0.000 1.274 58 F CB -0.561 38.396 39.000 -0.072 0.000 1.009 58 F HN 0.019 nan 8.300 nan 0.000 0.485 59 A N 0.551 123.277 122.820 -0.158 0.000 1.836 59 A HA -0.306 4.014 4.320 -0.000 0.000 0.215 59 A C 2.383 179.907 177.584 -0.100 0.000 1.214 59 A CA 3.489 55.424 52.037 -0.170 0.000 0.636 59 A CB -1.796 17.207 19.000 0.005 0.000 0.847 59 A HN 0.559 nan 8.150 nan 0.000 0.451 60 T N -2.777 111.775 114.554 -0.004 0.000 2.685 60 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 60 T C 1.779 176.498 174.700 0.032 0.000 1.034 60 T CA 2.452 64.587 62.100 0.059 0.000 1.149 60 T CB -1.423 67.467 68.868 0.037 0.000 0.860 60 T HN 0.412 nan 8.240 nan 0.000 0.449 61 T N 1.407 115.930 114.554 -0.051 0.000 2.555 61 T HA -0.072 4.278 4.350 -0.000 0.000 0.264 61 T C 1.321 175.959 174.700 -0.103 0.000 1.083 61 T CA 1.712 63.772 62.100 -0.067 0.000 1.179 61 T CB -0.846 67.975 68.868 -0.078 0.000 0.863 61 T HN 0.438 nan 8.240 nan 0.000 0.412 62 F N 0.517 120.209 119.950 -0.431 0.000 2.154 62 F HA -0.203 4.324 4.527 -0.000 0.000 0.301 62 F C 2.177 177.821 175.800 -0.260 0.000 1.087 62 F CA 1.402 59.108 58.000 -0.490 0.000 1.274 62 F CB -0.451 37.912 39.000 -1.062 0.000 1.009 62 F HN 0.254 nan 8.300 nan 0.000 0.485 63 Y N 1.150 121.371 120.300 -0.132 0.000 2.114 63 Y HA -0.283 4.267 4.550 -0.000 0.000 0.284 63 Y C 2.518 178.338 175.900 -0.134 0.000 1.143 63 Y CA 2.298 60.334 58.100 -0.106 0.000 1.135 63 Y CB -0.878 37.549 38.460 -0.056 0.000 0.980 63 Y HN 0.185 nan 8.280 nan 0.000 0.499 64 Q N -1.052 118.701 119.800 -0.078 0.000 2.061 64 Q HA -0.299 4.041 4.340 -0.000 0.000 0.204 64 Q C 2.312 178.178 176.000 -0.222 0.000 0.984 64 Q CA 1.730 57.456 55.803 -0.129 0.000 0.846 64 Q CB -0.570 28.169 28.738 0.001 0.000 0.902 64 Q HN 0.595 nan 8.270 nan 0.000 0.421 65 H N 0.803 119.686 119.070 -0.312 0.000 2.352 65 H HA -0.150 4.406 4.556 -0.000 0.000 0.299 65 H C 2.056 177.154 175.328 -0.382 0.000 1.097 65 H CA 1.603 57.458 56.048 -0.322 0.000 1.311 65 H CB -0.035 29.515 29.762 -0.352 0.000 1.377 65 H HN 0.241 nan 8.280 nan 0.000 0.504 66 L N 1.056 122.089 121.223 -0.317 0.000 2.056 66 L HA 0.025 4.365 4.340 -0.000 0.000 0.207 66 L C 2.655 179.364 176.870 -0.267 0.000 1.078 66 L CA 2.128 56.792 54.840 -0.294 0.000 0.749 66 L CB -1.252 40.554 42.059 -0.421 0.000 0.901 66 L HN 0.240 nan 8.230 nan 0.000 0.433 67 A N -0.652 121.909 122.820 -0.432 0.000 1.978 67 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 67 A C 1.996 179.449 177.584 -0.218 0.000 1.170 67 A CA 1.915 53.727 52.037 -0.375 0.000 0.636 67 A CB -0.853 17.838 19.000 -0.516 0.000 0.810 67 A HN 0.593 nan 8.150 nan 0.000 0.448 68 D N -0.026 120.238 120.400 -0.227 0.000 2.117 68 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 68 D C 2.483 178.690 176.300 -0.156 0.000 0.982 68 D CA 1.791 55.677 54.000 -0.190 0.000 0.828 68 D CB -0.318 40.332 40.800 -0.251 0.000 0.967 68 D HN 0.610 nan 8.370 nan 0.000 0.464 69 S N 0.152 115.758 115.700 -0.157 0.000 2.402 69 S HA -0.083 4.387 4.470 -0.000 0.000 0.229 69 S C 1.201 175.762 174.600 -0.066 0.000 1.021 69 S CA 0.570 58.713 58.200 -0.096 0.000 0.974 69 S CB 0.114 63.282 63.200 -0.055 0.000 0.800 69 S HN -0.050 nan 8.310 nan 0.000 0.484 70 K N 2.036 122.395 120.400 -0.069 0.000 2.155 70 K HA 0.266 4.586 4.320 -0.000 0.000 0.237 70 K C -0.268 176.306 176.600 -0.044 0.000 1.040 70 K CA -0.419 55.841 56.287 -0.045 0.000 0.912 70 K CB 0.077 32.556 32.500 -0.035 0.000 1.137 70 K HN 0.486 nan 8.250 nan 0.000 0.498 71 N N 0.546 119.230 118.700 -0.026 0.000 2.400 71 N HA 0.034 4.774 4.740 -0.000 0.000 0.288 71 N C -0.453 175.052 175.510 -0.009 0.000 1.024 71 N CA -0.441 52.598 53.050 -0.019 0.000 0.894 71 N CB 0.887 39.367 38.487 -0.012 0.000 1.173 71 N HN 0.225 nan 8.380 nan 0.000 0.487 72 D N 1.504 121.900 120.400 -0.006 0.000 2.369 72 D HA -0.168 4.471 4.640 -0.000 0.000 0.213 72 D C 0.349 176.661 176.300 0.021 0.000 0.982 72 D CA 1.148 55.152 54.000 0.008 0.000 0.931 72 D CB 0.039 40.845 40.800 0.010 0.000 0.889 72 D HN 0.506 nan 8.370 nan 0.000 0.487 73 N N 0.387 119.097 118.700 0.018 0.000 2.203 73 N HA 0.004 4.744 4.740 -0.000 0.000 0.207 73 N C -0.539 174.982 175.510 0.018 0.000 1.130 73 N CA 0.091 53.158 53.050 0.028 0.000 0.861 73 N CB 0.758 39.261 38.487 0.027 0.000 1.005 73 N HN 0.173 nan 8.380 nan 0.000 0.507 74 D N 0.654 121.062 120.400 0.013 0.000 2.181 74 D HA 0.223 4.863 4.640 -0.000 0.000 0.248 74 D C 0.037 176.350 176.300 0.022 0.000 1.020 74 D CA -0.281 53.727 54.000 0.013 0.000 0.891 74 D CB 1.134 41.941 40.800 0.013 0.000 1.187 74 D HN -0.104 nan 8.370 nan 0.000 0.443 75 N N 0.746 119.461 118.700 0.025 0.000 2.503 75 N HA 0.370 5.109 4.740 -0.000 0.000 0.267 75 N C -0.081 175.505 175.510 0.126 0.000 1.214 75 N CA -0.024 53.054 53.050 0.046 0.000 0.959 75 N CB 1.371 39.877 38.487 0.032 0.000 1.142 75 N HN 0.345 nan 8.380 nan 0.000 0.455 76 I N 0.498 121.187 120.570 0.198 0.000 2.785 76 I HA 0.527 4.697 4.170 -0.000 0.000 0.302 76 I C -1.149 175.244 176.117 0.460 0.000 1.069 76 I CA -0.813 60.667 61.300 0.301 0.000 1.045 76 I CB 1.997 40.165 38.000 0.281 0.000 1.236 76 I HN 0.321 nan 8.210 nan 0.000 0.429 77 F N 5.973 126.120 119.950 0.328 0.000 2.688 77 F HA 0.489 5.016 4.527 -0.000 0.000 0.332 77 F C -1.528 174.536 175.800 0.441 0.000 1.131 77 F CA -0.570 57.625 58.000 0.326 0.000 1.113 77 F CB 1.011 40.164 39.000 0.255 0.000 1.359 77 F HN 0.314 nan 8.300 nan 0.000 0.551 78 L N 1.724 122.921 121.223 -0.044 0.000 2.309 78 L HA 0.912 5.252 4.340 -0.000 0.000 0.240 78 L C -1.128 175.827 176.870 0.142 0.000 1.136 78 L CA -1.028 53.926 54.840 0.191 0.000 0.985 78 L CB 1.797 43.793 42.059 -0.105 0.000 1.572 78 L HN 0.412 nan 8.230 nan 0.000 0.426 79 S N 0.365 116.241 115.700 0.292 0.000 2.383 79 S HA 0.457 4.927 4.470 -0.000 0.000 0.196 79 S C -2.040 172.640 174.600 0.134 0.000 1.364 79 S CA -1.075 57.318 58.200 0.321 0.000 1.212 79 S CB 0.762 64.293 63.200 0.552 0.000 1.171 79 S HN 0.591 nan 8.310 nan 0.000 0.456 80 P HA -0.154 nan 4.420 nan 0.000 0.217 80 P C 1.570 179.007 177.300 0.228 0.000 1.148 80 P CA 0.682 63.838 63.100 0.094 0.000 0.828 80 P CB 0.119 31.844 31.700 0.041 0.000 0.783 81 L N 0.150 121.463 121.223 0.150 0.000 2.056 81 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 81 L C 2.717 179.714 176.870 0.212 0.000 1.078 81 L CA 2.164 57.112 54.840 0.181 0.000 0.749 81 L CB -1.678 40.428 42.059 0.077 0.000 0.901 81 L HN -0.054 nan 8.230 nan 0.000 0.433 82 S N -0.293 115.524 115.700 0.195 0.000 2.351 82 S HA -0.222 4.248 4.470 -0.000 0.000 0.220 82 S C 2.062 176.781 174.600 0.198 0.000 1.035 82 S CA 2.019 60.356 58.200 0.228 0.000 1.031 82 S CB -0.532 62.873 63.200 0.342 0.000 0.928 82 S HN 0.500 nan 8.310 nan 0.000 0.433 83 I N 1.127 121.840 120.570 0.237 0.000 2.179 83 I HA -0.140 4.030 4.170 -0.000 0.000 0.242 83 I C 2.737 178.926 176.117 0.121 0.000 1.088 83 I CA 1.318 62.773 61.300 0.259 0.000 1.357 83 I CB -0.755 37.381 38.000 0.227 0.000 1.051 83 I HN 0.298 nan 8.210 nan 0.000 0.409 84 S N 0.397 116.144 115.700 0.078 0.000 2.374 84 S HA -0.212 4.258 4.470 -0.000 0.000 0.227 84 S C 2.061 176.548 174.600 -0.187 0.000 1.037 84 S CA 2.173 60.289 58.200 -0.140 0.000 1.024 84 S CB -0.485 62.869 63.200 0.257 0.000 0.861 84 S HN 0.492 nan 8.310 nan 0.000 0.456 85 T N 2.195 116.681 114.554 -0.114 0.000 2.701 85 T HA -0.009 4.341 4.350 -0.000 0.000 0.263 85 T C 2.199 176.567 174.700 -0.553 0.000 1.040 85 T CA 1.233 63.036 62.100 -0.495 0.000 1.147 85 T CB -0.587 68.189 68.868 -0.152 0.000 0.865 85 T HN 0.469 nan 8.240 nan 0.000 0.426 86 A N 0.804 123.430 122.820 -0.324 0.000 1.908 86 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 86 A C 1.972 179.221 177.584 -0.558 0.000 1.181 86 A CA 1.485 53.279 52.037 -0.404 0.000 0.627 86 A CB -1.012 17.823 19.000 -0.275 0.000 0.818 86 A HN 0.489 nan 8.150 nan 0.000 0.445 87 F N -0.179 119.509 119.950 -0.437 0.000 2.367 87 F HA 0.076 4.603 4.527 -0.000 0.000 0.298 87 F C 2.660 178.185 175.800 -0.459 0.000 1.094 87 F CA 0.631 58.354 58.000 -0.462 0.000 1.409 87 F CB -0.247 38.333 39.000 -0.700 0.000 1.064 87 F HN 0.258 nan 8.300 nan 0.000 0.528 88 A N 0.087 122.666 122.820 -0.401 0.000 1.902 88 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 88 A C 2.232 179.647 177.584 -0.281 0.000 1.181 88 A CA 1.639 53.486 52.037 -0.317 0.000 0.623 88 A CB -0.702 17.988 19.000 -0.517 0.000 0.818 88 A HN 0.317 nan 8.150 nan 0.000 0.443 89 M N -0.895 118.313 119.600 -0.653 0.000 2.082 89 M HA -0.180 4.300 4.480 -0.000 0.000 0.258 89 M C 2.331 178.479 176.300 -0.253 0.000 1.071 89 M CA 2.248 57.150 55.300 -0.663 0.000 1.103 89 M CB -1.029 31.114 32.600 -0.761 0.000 1.307 89 M HN 0.440 nan 8.290 nan 0.000 0.409 90 T N 0.838 115.257 114.554 -0.226 0.000 2.624 90 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 90 T C 1.511 176.226 174.700 0.025 0.000 1.041 90 T CA 2.122 64.169 62.100 -0.089 0.000 1.159 90 T CB -0.497 68.301 68.868 -0.115 0.000 0.863 90 T HN 0.478 nan 8.240 nan 0.000 0.434 91 K N 1.693 122.121 120.400 0.047 0.000 2.574 91 K HA 0.135 4.455 4.320 -0.000 0.000 0.193 91 K C 2.056 178.784 176.600 0.214 0.000 1.035 91 K CA 0.479 56.852 56.287 0.143 0.000 0.982 91 K CB -0.449 32.145 32.500 0.158 0.000 0.795 91 K HN 0.340 nan 8.250 nan 0.000 0.491 92 L N 0.068 121.338 121.223 0.078 0.000 2.141 92 L HA -0.009 4.331 4.340 -0.000 0.000 0.209 92 L C 1.379 178.264 176.870 0.026 0.000 1.094 92 L CA 1.469 56.201 54.840 -0.180 0.000 0.763 92 L CB -0.113 41.604 42.059 -0.571 0.000 0.908 92 L HN 0.518 nan 8.230 nan 0.000 0.437 93 G N -1.203 107.693 108.800 0.160 0.000 4.250 93 G HA2 0.517 4.477 3.960 -0.000 0.000 0.295 93 G HA3 0.517 4.477 3.960 -0.000 0.000 0.295 93 G C 0.034 175.006 174.900 0.121 0.000 1.081 93 G CA 0.327 45.532 45.100 0.174 0.000 0.854 93 G HN 0.386 nan 8.290 nan 0.000 0.524 94 A N -0.740 122.154 122.820 0.123 0.000 2.240 94 A HA 0.855 5.175 4.320 -0.000 0.000 0.292 94 A C -0.319 177.319 177.584 0.090 0.000 1.121 94 A CA -0.537 51.561 52.037 0.102 0.000 0.851 94 A CB 1.226 20.296 19.000 0.117 0.000 1.167 94 A HN 0.765 nan 8.150 nan 0.000 0.503 95 c N -1.365 117.283 118.600 0.080 0.000 3.312 95 c HA 0.548 5.118 4.570 -0.000 0.000 0.332 95 c C 0.248 174.377 174.090 0.064 0.000 1.340 95 c CA -0.071 56.296 56.329 0.063 0.000 1.265 95 c CB 0.248 42.782 42.510 0.040 0.000 1.563 95 c HN 1.237 nan 8.230 nan 0.000 0.471 96 N N 1.587 120.321 118.700 0.057 0.000 1.149 96 N HA -0.221 4.519 4.740 -0.000 0.000 0.118 96 N C 0.291 175.840 175.510 0.066 0.000 0.756 96 N CA 2.038 55.121 53.050 0.054 0.000 0.861 96 N CB -0.754 37.757 38.487 0.040 0.000 1.099 96 N HN 0.885 nan 8.380 nan 0.000 0.597 97 D N -0.833 119.599 120.400 0.053 0.000 2.178 97 D HA -0.010 4.630 4.640 -0.000 0.000 0.201 97 D C 0.623 176.956 176.300 0.055 0.000 0.980 97 D CA 1.581 55.612 54.000 0.052 0.000 0.842 97 D CB -0.294 40.530 40.800 0.040 0.000 0.948 97 D HN 0.440 nan 8.370 nan 0.000 0.472 98 T N 0.392 114.978 114.554 0.053 0.000 3.667 98 T HA 0.182 4.532 4.350 -0.000 0.000 0.240 98 T C 0.771 175.518 174.700 0.079 0.000 0.919 98 T CA 0.132 62.262 62.100 0.050 0.000 0.928 98 T CB -0.019 68.874 68.868 0.042 0.000 1.151 98 T HN 0.021 nan 8.240 nan 0.000 0.644 99 L N -0.414 120.870 121.223 0.102 0.000 1.665 99 L HA 0.249 4.588 4.340 -0.000 0.000 0.152 99 L C 2.420 179.384 176.870 0.157 0.000 1.320 99 L CA 1.364 56.297 54.840 0.153 0.000 1.147 99 L CB -1.084 41.081 42.059 0.177 0.000 2.398 99 L HN 0.108 nan 8.230 nan 0.000 0.483 100 Q N 0.302 120.181 119.800 0.131 0.000 2.077 100 Q HA -0.310 4.030 4.340 -0.000 0.000 0.206 100 Q C 1.925 177.980 176.000 0.092 0.000 0.989 100 Q CA 2.918 58.789 55.803 0.113 0.000 0.853 100 Q CB -1.334 27.455 28.738 0.086 0.000 0.907 100 Q HN 0.774 nan 8.270 nan 0.000 0.418 101 Q N -0.307 119.538 119.800 0.075 0.000 2.061 101 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 101 Q C 2.398 178.441 176.000 0.070 0.000 0.984 101 Q CA 1.578 57.412 55.803 0.051 0.000 0.846 101 Q CB -0.330 28.429 28.738 0.034 0.000 0.902 101 Q HN 0.706 nan 8.270 nan 0.000 0.421 102 L N -0.089 121.212 121.223 0.130 0.000 1.944 102 L HA -0.270 4.070 4.340 -0.000 0.000 0.218 102 L C 2.570 179.613 176.870 0.289 0.000 1.075 102 L CA 1.027 56.016 54.840 0.250 0.000 0.767 102 L CB -0.636 41.574 42.059 0.251 0.000 0.890 102 L HN 0.376 nan 8.230 nan 0.000 0.434 103 M N -0.322 119.425 119.600 0.245 0.000 2.103 103 M HA -0.286 4.194 4.480 -0.000 0.000 0.255 103 M C 2.116 178.488 176.300 0.120 0.000 1.074 103 M CA 1.934 57.373 55.300 0.231 0.000 1.090 103 M CB -1.329 31.330 32.600 0.099 0.000 1.325 103 M HN 0.327 nan 8.290 nan 0.000 0.403 104 E N -0.292 119.947 120.200 0.065 0.000 2.028 104 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 104 E C 2.153 178.716 176.600 -0.061 0.000 0.988 104 E CA 1.305 57.709 56.400 0.007 0.000 0.799 104 E CB -0.165 29.541 29.700 0.010 0.000 0.755 104 E HN 0.288 nan 8.360 nan 0.000 0.447 105 V N 0.592 120.440 119.914 -0.110 0.000 2.392 105 V HA -0.216 3.904 4.120 -0.000 0.000 0.249 105 V C 1.507 177.300 176.094 -0.502 0.000 1.059 105 V CA 1.539 63.663 62.300 -0.292 0.000 1.051 105 V CB -0.387 31.185 31.823 -0.419 0.000 0.658 105 V HN 0.192 nan 8.190 nan 0.000 0.455 106 F N 0.022 119.781 119.950 -0.318 0.000 2.660 106 F HA 0.293 4.820 4.527 -0.000 0.000 0.302 106 F C 1.221 176.604 175.800 -0.697 0.000 1.103 106 F CA -0.446 57.168 58.000 -0.645 0.000 1.340 106 F CB -0.034 38.385 39.000 -0.969 0.000 1.048 106 F HN 0.001 nan 8.300 nan 0.000 0.551 107 K N -1.430 118.821 120.400 -0.248 0.000 3.193 107 K HA -0.259 4.061 4.320 -0.000 0.000 0.294 107 K C 0.643 177.162 176.600 -0.135 0.000 1.185 107 K CA 0.644 56.835 56.287 -0.161 0.000 0.866 107 K CB -2.770 29.662 32.500 -0.114 0.000 1.227 107 K HN 0.303 nan 8.250 nan 0.000 0.467 108 F N 1.657 121.629 119.950 0.037 0.000 2.604 108 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 108 F C 1.981 177.747 175.800 -0.056 0.000 1.131 108 F CA 1.292 59.279 58.000 -0.021 0.000 1.457 108 F CB -0.163 38.794 39.000 -0.072 0.000 1.095 108 F HN 0.185 nan 8.300 nan 0.000 0.574 109 D N -0.764 119.700 120.400 0.107 0.000 2.325 109 D HA -0.041 4.599 4.640 -0.000 0.000 0.225 109 D C 1.126 177.452 176.300 0.043 0.000 1.096 109 D CA 0.755 54.790 54.000 0.058 0.000 0.844 109 D CB -0.846 39.982 40.800 0.047 0.000 0.925 109 D HN 0.324 nan 8.370 nan 0.000 0.513 110 T N -1.403 113.174 114.554 0.039 0.000 3.215 110 T HA 0.371 4.721 4.350 -0.000 0.000 0.271 110 T C 0.818 175.533 174.700 0.026 0.000 1.012 110 T CA -0.679 61.434 62.100 0.020 0.000 0.899 110 T CB -0.719 68.147 68.868 -0.003 0.000 1.089 110 T HN 0.333 nan 8.240 nan 0.000 0.552 111 I N -1.945 118.653 120.570 0.047 0.000 3.239 111 I HA 0.754 4.924 4.170 -0.000 0.000 0.314 111 I C 0.036 176.191 176.117 0.064 0.000 1.126 111 I CA -1.604 59.727 61.300 0.051 0.000 0.973 111 I CB 1.771 39.810 38.000 0.065 0.000 1.252 111 I HN 0.066 nan 8.210 nan 0.000 0.463 112 S N 0.753 116.495 115.700 0.070 0.000 2.563 112 S HA 0.156 4.626 4.470 -0.000 0.000 0.284 112 S C 1.133 175.791 174.600 0.096 0.000 1.331 112 S CA 0.412 58.660 58.200 0.079 0.000 1.047 112 S CB 1.062 64.311 63.200 0.082 0.000 0.859 112 S HN 0.965 nan 8.310 nan 0.000 0.514 113 E N 2.607 122.861 120.200 0.090 0.000 2.209 113 E HA -0.108 4.242 4.350 -0.000 0.000 0.196 113 E C 2.257 178.932 176.600 0.125 0.000 0.993 113 E CA 2.151 58.612 56.400 0.102 0.000 0.819 113 E CB -1.710 28.045 29.700 0.091 0.000 0.745 113 E HN 1.045 nan 8.360 nan 0.000 0.477 114 K N 0.140 120.620 120.400 0.134 0.000 2.026 114 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 114 K C 2.582 179.352 176.600 0.283 0.000 1.048 114 K CA 2.081 58.474 56.287 0.178 0.000 0.929 114 K CB -1.361 31.244 32.500 0.176 0.000 0.713 114 K HN 0.470 nan 8.250 nan 0.000 0.439 115 T N 0.812 115.560 114.554 0.324 0.000 2.809 115 T HA -0.116 4.234 4.350 -0.000 0.000 0.260 115 T C 2.383 177.224 174.700 0.234 0.000 1.039 115 T CA 1.856 64.254 62.100 0.498 0.000 1.141 115 T CB -0.370 68.664 68.868 0.277 0.000 0.869 115 T HN 0.734 nan 8.240 nan 0.000 0.437 116 S N 1.591 117.362 115.700 0.119 0.000 2.465 116 S HA -0.163 4.307 4.470 -0.000 0.000 0.241 116 S C 1.321 175.870 174.600 -0.085 0.000 1.000 116 S CA 1.227 59.414 58.200 -0.022 0.000 0.964 116 S CB -0.388 62.810 63.200 -0.003 0.000 0.763 116 S HN 0.322 nan 8.310 nan 0.000 0.512 117 D N 1.904 122.369 120.400 0.107 0.000 2.297 117 D HA 0.172 4.811 4.640 -0.000 0.000 0.233 117 D C 2.070 178.427 176.300 0.095 0.000 1.056 117 D CA 1.683 55.844 54.000 0.269 0.000 0.938 117 D CB -0.980 39.919 40.800 0.165 0.000 1.048 117 D HN 0.562 nan 8.370 nan 0.000 0.442 118 Q N 0.968 120.722 119.800 -0.076 0.000 2.800 118 Q HA 0.190 4.530 4.340 -0.000 0.000 0.261 118 Q C 1.393 177.155 176.000 -0.396 0.000 1.093 118 Q CA 0.083 55.721 55.803 -0.275 0.000 0.943 118 Q CB -1.824 26.623 28.738 -0.485 0.000 1.591 118 Q HN 0.425 nan 8.270 nan 0.000 0.429 119 I N -0.038 120.356 120.570 -0.293 0.000 2.493 119 I HA -0.216 3.954 4.170 -0.000 0.000 0.254 119 I C 1.836 177.844 176.117 -0.181 0.000 1.160 119 I CA 0.875 61.999 61.300 -0.294 0.000 1.445 119 I CB -0.112 37.540 38.000 -0.580 0.000 1.086 119 I HN 0.644 nan 8.210 nan 0.000 0.433 120 H N -0.488 118.586 119.070 0.007 0.000 2.428 120 H HA -0.108 4.448 4.556 -0.000 0.000 0.296 120 H C 1.968 177.279 175.328 -0.029 0.000 1.062 120 H CA 1.086 57.142 56.048 0.014 0.000 1.350 120 H CB -0.364 29.374 29.762 -0.041 0.000 1.403 120 H HN 0.278 nan 8.280 nan 0.000 0.533 121 F N 1.496 121.353 119.950 -0.156 0.000 2.060 121 F HA -0.173 4.354 4.527 -0.000 0.000 0.295 121 F C 1.924 177.683 175.800 -0.067 0.000 1.120 121 F CA 0.999 58.873 58.000 -0.210 0.000 1.205 121 F CB -0.687 38.058 39.000 -0.426 0.000 0.986 121 F HN -0.115 nan 8.300 nan 0.000 0.470 122 F N -0.824 119.076 119.950 -0.084 0.000 2.269 122 F HA -0.128 4.399 4.527 -0.000 0.000 0.301 122 F C 2.260 177.952 175.800 -0.179 0.000 1.082 122 F CA 0.595 58.465 58.000 -0.216 0.000 1.360 122 F CB -1.765 37.169 39.000 -0.110 0.000 1.041 122 F HN -0.004 nan 8.300 nan 0.000 0.512 123 F N 0.327 120.304 119.950 0.046 0.000 2.259 123 F HA 0.013 4.540 4.527 -0.000 0.000 0.298 123 F C 2.356 178.147 175.800 -0.015 0.000 1.088 123 F CA 0.670 58.706 58.000 0.060 0.000 1.358 123 F CB -0.741 38.349 39.000 0.151 0.000 1.040 123 F HN -0.056 nan 8.300 nan 0.000 0.505 124 A N -0.217 122.642 122.820 0.064 0.000 1.877 124 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 124 A C 2.342 179.894 177.584 -0.054 0.000 1.186 124 A CA 1.906 53.912 52.037 -0.051 0.000 0.620 124 A CB -0.864 18.050 19.000 -0.143 0.000 0.822 124 A HN 0.196 nan 8.150 nan 0.000 0.443 125 K N -0.847 119.455 120.400 -0.162 0.000 2.063 125 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 125 K C 2.083 178.640 176.600 -0.071 0.000 1.048 125 K CA 1.376 57.570 56.287 -0.154 0.000 0.928 125 K CB -1.153 31.215 32.500 -0.220 0.000 0.713 125 K HN 0.542 nan 8.250 nan 0.000 0.442 126 L N 2.078 123.268 121.223 -0.056 0.000 2.017 126 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 126 L C 1.675 178.533 176.870 -0.019 0.000 1.073 126 L CA 1.878 56.680 54.840 -0.064 0.000 0.745 126 L CB -0.863 41.114 42.059 -0.137 0.000 0.894 126 L HN 0.240 nan 8.230 nan 0.000 0.432 127 N N -0.890 117.873 118.700 0.104 0.000 2.289 127 N HA -0.183 4.557 4.740 -0.000 0.000 0.184 127 N C 1.867 177.461 175.510 0.139 0.000 1.016 127 N CA 1.556 54.727 53.050 0.202 0.000 0.872 127 N CB -0.612 38.111 38.487 0.394 0.000 0.973 127 N HN 0.455 nan 8.380 nan 0.000 0.433 128 c N 0.688 119.326 118.600 0.064 0.000 2.489 128 c HA 0.037 4.607 4.570 -0.000 0.000 0.279 128 c C 2.540 176.635 174.090 0.008 0.000 1.266 128 c CA 0.297 56.653 56.329 0.044 0.000 1.707 128 c CB -0.702 41.812 42.510 0.007 0.000 2.059 128 c HN 0.476 nan 8.230 nan 0.000 0.481 129 R N 0.193 120.675 120.500 -0.030 0.000 2.235 129 R HA 0.052 4.392 4.340 -0.000 0.000 0.213 129 R C 1.884 178.132 176.300 -0.086 0.000 1.059 129 R CA 0.685 56.759 56.100 -0.043 0.000 0.997 129 R CB -0.186 30.086 30.300 -0.046 0.000 0.884 129 R HN 0.554 nan 8.270 nan 0.000 0.462 130 L N -1.187 119.937 121.223 -0.165 0.000 2.145 130 L HA -0.040 4.299 4.340 -0.000 0.000 0.201 130 L C 1.089 177.702 176.870 -0.428 0.000 1.075 130 L CA 0.991 55.607 54.840 -0.372 0.000 0.773 130 L CB 0.083 41.750 42.059 -0.653 0.000 0.936 130 L HN 0.135 nan 8.230 nan 0.000 0.451 131 Y N -0.319 120.009 120.300 0.046 0.000 2.457 131 Y HA 0.124 4.673 4.550 -0.000 0.000 0.263 131 Y C 1.624 177.547 175.900 0.037 0.000 1.164 131 Y CA -0.713 57.415 58.100 0.047 0.000 1.274 131 Y CB -0.412 38.082 38.460 0.057 0.000 1.097 131 Y HN 0.178 nan 8.280 nan 0.000 0.523 132 R N 2.162 122.730 120.500 0.113 0.000 3.213 132 R HA 0.273 4.613 4.340 -0.000 0.000 0.188 132 R C -0.250 176.092 176.300 0.071 0.000 0.931 132 R CA -0.330 55.819 56.100 0.082 0.000 1.218 132 R CB 0.061 30.390 30.300 0.048 0.000 0.742 132 R HN -0.028 nan 8.270 nan 0.000 0.484 133 K N -2.482 117.948 120.400 0.050 0.000 2.675 133 K HA 0.314 4.634 4.320 -0.000 0.000 0.280 133 K C -1.217 175.404 176.600 0.034 0.000 0.993 133 K CA -0.216 56.097 56.287 0.044 0.000 0.863 133 K CB 1.560 34.089 32.500 0.048 0.000 1.438 133 K HN 0.596 nan 8.250 nan 0.000 0.389 134 A N 1.032 123.871 122.820 0.032 0.000 2.469 134 A HA 0.188 4.508 4.320 -0.000 0.000 0.245 134 A C 0.605 178.202 177.584 0.023 0.000 1.221 134 A CA 0.401 52.455 52.037 0.029 0.000 0.946 134 A CB -0.517 18.503 19.000 0.035 0.000 1.049 134 A HN 0.907 nan 8.150 nan 0.000 0.529 135 N N 0.149 118.862 118.700 0.021 0.000 2.691 135 N HA -0.249 4.491 4.740 -0.000 0.000 0.259 135 N C 0.721 176.228 175.510 -0.004 0.000 0.961 135 N CA 1.321 54.375 53.050 0.007 0.000 0.828 135 N CB -0.786 37.707 38.487 0.010 0.000 0.936 135 N HN 0.749 nan 8.380 nan 0.000 0.553 136 K N -0.343 120.058 120.400 0.002 0.000 2.981 136 K HA 0.255 4.575 4.320 -0.000 0.000 0.308 136 K C 1.022 177.605 176.600 -0.029 0.000 1.089 136 K CA 0.701 56.989 56.287 0.001 0.000 1.362 136 K CB -0.078 32.437 32.500 0.024 0.000 1.631 136 K HN 0.145 nan 8.250 nan 0.000 0.547 137 A N 0.570 123.372 122.820 -0.030 0.000 2.370 137 A HA 0.102 4.422 4.320 -0.000 0.000 0.238 137 A C 0.222 177.710 177.584 -0.159 0.000 1.289 137 A CA 0.176 52.163 52.037 -0.084 0.000 0.885 137 A CB -0.064 18.912 19.000 -0.041 0.000 0.961 137 A HN 0.285 nan 8.150 nan 0.000 0.499 138 S N 0.376 116.013 115.700 -0.106 0.000 2.269 138 S HA 0.372 4.842 4.470 -0.000 0.000 0.194 138 S C -0.350 174.196 174.600 -0.090 0.000 1.547 138 S CA -0.598 57.539 58.200 -0.105 0.000 1.186 138 S CB -0.132 63.113 63.200 0.075 0.000 1.069 138 S HN 0.517 nan 8.310 nan 0.000 0.473 139 K N 3.155 123.409 120.400 -0.244 0.000 2.156 139 K HA 0.677 4.997 4.320 -0.000 0.000 0.250 139 K C -1.514 175.042 176.600 -0.074 0.000 0.955 139 K CA -0.909 55.293 56.287 -0.142 0.000 0.855 139 K CB 1.078 33.466 32.500 -0.187 0.000 1.101 139 K HN 0.452 nan 8.250 nan 0.000 0.434 140 L N 3.996 125.269 121.223 0.084 0.000 2.617 140 L HA 0.282 4.622 4.340 -0.000 0.000 0.259 140 L C -1.807 175.243 176.870 0.301 0.000 0.995 140 L CA -0.442 54.529 54.840 0.218 0.000 0.899 140 L CB 1.611 43.817 42.059 0.245 0.000 1.181 140 L HN 0.342 nan 8.230 nan 0.000 0.437 141 V N 2.393 122.454 119.914 0.245 0.000 2.427 141 V HA 0.646 4.766 4.120 -0.000 0.000 0.286 141 V C 0.501 176.695 176.094 0.166 0.000 1.034 141 V CA -0.371 62.049 62.300 0.199 0.000 0.893 141 V CB 1.519 33.459 31.823 0.195 0.000 0.982 141 V HN 0.755 nan 8.190 nan 0.000 0.452 142 S N 3.317 118.974 115.700 -0.073 0.000 2.654 142 S HA 0.803 5.273 4.470 -0.000 0.000 0.283 142 S C 0.058 174.617 174.600 -0.068 0.000 1.180 142 S CA 0.160 58.299 58.200 -0.102 0.000 1.021 142 S CB 1.559 64.464 63.200 -0.492 0.000 1.018 142 S HN 1.361 nan 8.310 nan 0.000 0.532 143 A N 3.696 126.540 122.820 0.041 0.000 3.464 143 A HA 0.390 4.710 4.320 -0.000 0.000 0.243 143 A C -0.900 176.878 177.584 0.324 0.000 1.100 143 A CA -0.778 51.319 52.037 0.100 0.000 0.957 143 A CB -0.157 18.827 19.000 -0.027 0.000 1.340 143 A HN 0.697 nan 8.150 nan 0.000 0.645 144 N N 1.237 120.089 118.700 0.255 0.000 2.430 144 N HA 0.666 5.406 4.740 -0.000 0.000 0.292 144 N C -0.283 175.277 175.510 0.084 0.000 1.051 144 N CA -0.164 52.975 53.050 0.149 0.000 0.917 144 N CB 1.803 40.292 38.487 0.003 0.000 1.164 144 N HN 0.640 nan 8.380 nan 0.000 0.484 145 R N 0.996 121.456 120.500 -0.067 0.000 2.690 145 R HA 0.417 4.757 4.340 -0.000 0.000 0.269 145 R C -1.658 174.370 176.300 -0.454 0.000 1.037 145 R CA -0.657 55.205 56.100 -0.396 0.000 0.877 145 R CB 1.509 31.272 30.300 -0.895 0.000 1.255 145 R HN 0.302 nan 8.270 nan 0.000 0.467 146 L N 2.870 123.723 121.223 -0.617 0.000 2.325 146 L HA 0.562 4.902 4.340 -0.000 0.000 0.278 146 L C -0.989 175.426 176.870 -0.758 0.000 1.023 146 L CA -0.320 54.227 54.840 -0.489 0.000 0.811 146 L CB 1.317 43.154 42.059 -0.370 0.000 1.249 146 L HN 0.571 nan 8.230 nan 0.000 0.431 147 F N 0.872 120.739 119.950 -0.139 0.000 2.499 147 F HA 0.641 5.168 4.527 -0.000 0.000 0.333 147 F C 0.617 176.468 175.800 0.085 0.000 1.138 147 F CA -0.573 57.389 58.000 -0.063 0.000 0.945 147 F CB 2.190 41.249 39.000 0.098 0.000 1.181 147 F HN 0.435 nan 8.300 nan 0.000 0.435 148 G N 1.642 110.497 108.800 0.090 0.000 2.519 148 G HA2 0.409 4.369 3.960 -0.000 0.000 0.307 148 G HA3 0.409 4.369 3.960 -0.000 0.000 0.307 148 G C -1.695 173.398 174.900 0.322 0.000 1.266 148 G CA -0.748 44.482 45.100 0.216 0.000 0.970 148 G HN 0.491 nan 8.290 nan 0.000 0.481 149 D N -0.125 120.514 120.400 0.398 0.000 2.443 149 D HA 0.096 4.736 4.640 -0.000 0.000 0.239 149 D C 1.542 177.947 176.300 0.175 0.000 1.136 149 D CA 0.120 54.261 54.000 0.234 0.000 0.879 149 D CB 0.972 41.919 40.800 0.245 0.000 1.195 149 D HN 0.313 nan 8.370 nan 0.000 0.443 150 K N 0.666 121.096 120.400 0.050 0.000 2.103 150 K HA -0.129 4.190 4.320 -0.000 0.000 0.207 150 K C 1.232 177.781 176.600 -0.084 0.000 1.048 150 K CA 1.244 57.529 56.287 -0.004 0.000 0.930 150 K CB -0.151 32.332 32.500 -0.028 0.000 0.716 150 K HN 0.479 nan 8.250 nan 0.000 0.444 151 S N 1.223 116.893 115.700 -0.050 0.000 3.361 151 S HA 0.128 4.598 4.470 -0.000 0.000 0.246 151 S C -0.047 174.473 174.600 -0.133 0.000 1.237 151 S CA -0.013 58.144 58.200 -0.072 0.000 1.240 151 S CB -0.858 62.330 63.200 -0.021 0.000 1.154 151 S HN 0.108 nan 8.310 nan 0.000 0.461 152 L N -0.052 120.998 121.223 -0.288 0.000 2.545 152 L HA 0.371 4.711 4.340 -0.000 0.000 0.258 152 L C -0.813 175.590 176.870 -0.777 0.000 0.942 152 L CA -0.641 53.922 54.840 -0.462 0.000 0.855 152 L CB 2.416 44.197 42.059 -0.465 0.000 1.374 152 L HN 0.019 nan 8.230 nan 0.000 0.411 153 T N 2.080 116.297 114.554 -0.561 0.000 2.753 153 T HA 0.531 4.881 4.350 -0.000 0.000 0.297 153 T C -0.536 173.894 174.700 -0.450 0.000 0.981 153 T CA -0.227 61.588 62.100 -0.475 0.000 0.956 153 T CB 0.007 68.741 68.868 -0.222 0.000 0.936 153 T HN 0.073 nan 8.240 nan 0.000 0.463 154 F N 2.961 122.864 119.950 -0.078 0.000 2.410 154 F HA 0.288 4.815 4.527 -0.000 0.000 0.348 154 F C 1.171 176.927 175.800 -0.074 0.000 1.106 154 F CA -1.642 56.290 58.000 -0.114 0.000 1.163 154 F CB 0.312 39.216 39.000 -0.160 0.000 1.129 154 F HN 0.402 nan 8.300 nan 0.000 0.516 155 N N 3.079 121.844 118.700 0.108 0.000 2.365 155 N HA -0.125 4.615 4.740 -0.000 0.000 0.265 155 N C 1.020 176.606 175.510 0.128 0.000 1.288 155 N CA 0.377 53.481 53.050 0.090 0.000 0.869 155 N CB 0.540 39.083 38.487 0.094 0.000 1.071 155 N HN 0.563 nan 8.380 nan 0.000 0.480 156 E N 2.611 122.864 120.200 0.089 0.000 2.268 156 E HA -0.080 4.270 4.350 -0.000 0.000 0.195 156 E C 1.072 177.720 176.600 0.079 0.000 0.995 156 E CA 0.808 57.258 56.400 0.083 0.000 0.836 156 E CB -0.012 29.717 29.700 0.047 0.000 0.763 156 E HN 0.664 nan 8.360 nan 0.000 0.491 157 T N 0.709 115.306 114.554 0.073 0.000 2.643 157 T HA -0.200 4.150 4.350 -0.000 0.000 0.264 157 T C 1.632 176.362 174.700 0.050 0.000 1.045 157 T CA 1.541 63.667 62.100 0.043 0.000 1.155 157 T CB -0.589 68.300 68.868 0.034 0.000 0.863 157 T HN 0.254 nan 8.240 nan 0.000 0.420 158 Y N 2.336 122.617 120.300 -0.031 0.000 1.993 158 Y HA -0.293 4.257 4.550 -0.000 0.000 0.267 158 Y C 2.675 178.540 175.900 -0.058 0.000 1.155 158 Y CA 1.788 59.856 58.100 -0.053 0.000 1.105 158 Y CB -0.762 37.672 38.460 -0.044 0.000 0.960 158 Y HN 0.086 nan 8.280 nan 0.000 0.486 159 Q N 0.594 120.606 119.800 0.354 0.000 2.103 159 Q HA -0.273 4.067 4.340 -0.000 0.000 0.213 159 Q C 1.922 177.939 176.000 0.030 0.000 1.008 159 Q CA 2.256 58.175 55.803 0.193 0.000 0.879 159 Q CB -0.816 28.001 28.738 0.131 0.000 0.946 159 Q HN 0.674 nan 8.270 nan 0.000 0.413 160 D N 0.053 120.458 120.400 0.007 0.000 2.078 160 D HA -0.103 4.537 4.640 -0.000 0.000 0.193 160 D C 2.208 178.462 176.300 -0.077 0.000 0.990 160 D CA 0.863 54.846 54.000 -0.028 0.000 0.827 160 D CB -0.380 40.409 40.800 -0.018 0.000 0.975 160 D HN 0.255 nan 8.370 nan 0.000 0.451 161 I N 1.183 121.682 120.570 -0.119 0.000 2.185 161 I HA -0.329 3.841 4.170 -0.000 0.000 0.246 161 I C 2.722 178.705 176.117 -0.223 0.000 1.088 161 I CA 1.066 62.261 61.300 -0.176 0.000 1.347 161 I CB -0.362 37.502 38.000 -0.228 0.000 1.041 161 I HN -0.012 nan 8.210 nan 0.000 0.415 162 S N 0.603 116.147 115.700 -0.260 0.000 2.354 162 S HA -0.327 4.143 4.470 -0.000 0.000 0.219 162 S C 2.071 176.622 174.600 -0.082 0.000 1.035 162 S CA 2.142 60.243 58.200 -0.166 0.000 1.037 162 S CB -0.447 62.636 63.200 -0.195 0.000 0.956 162 S HN 0.529 nan 8.310 nan 0.000 0.428 163 E N -0.387 119.775 120.200 -0.063 0.000 2.187 163 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 163 E C 1.994 178.568 176.600 -0.044 0.000 1.004 163 E CA 1.538 57.918 56.400 -0.033 0.000 0.813 163 E CB -0.228 29.458 29.700 -0.023 0.000 0.736 163 E HN 0.512 nan 8.360 nan 0.000 0.468 164 L N -0.434 120.743 121.223 -0.077 0.000 2.127 164 L HA -0.031 4.309 4.340 -0.000 0.000 0.203 164 L C 2.117 178.916 176.870 -0.117 0.000 1.080 164 L CA 1.001 55.797 54.840 -0.072 0.000 0.768 164 L CB -0.102 41.920 42.059 -0.062 0.000 0.924 164 L HN 0.014 nan 8.230 nan 0.000 0.444 165 V N -1.232 118.541 119.914 -0.236 0.000 2.331 165 V HA -0.194 3.926 4.120 -0.000 0.000 0.242 165 V C 1.965 177.737 176.094 -0.537 0.000 1.034 165 V CA 1.661 63.695 62.300 -0.444 0.000 1.027 165 V CB -0.569 30.817 31.823 -0.728 0.000 0.667 165 V HN 0.398 nan 8.190 nan 0.000 0.457 166 Y N 0.141 120.406 120.300 -0.059 0.000 2.524 166 Y HA 0.510 5.060 4.550 -0.000 0.000 0.270 166 Y C 1.728 177.602 175.900 -0.045 0.000 1.094 166 Y CA 0.100 58.165 58.100 -0.058 0.000 1.276 166 Y CB -0.245 38.138 38.460 -0.129 0.000 1.130 166 Y HN 0.300 nan 8.280 nan 0.000 0.536 167 G N 0.726 109.555 108.800 0.049 0.000 2.417 167 G HA2 0.066 4.026 3.960 -0.000 0.000 0.291 167 G HA3 0.066 4.026 3.960 -0.000 0.000 0.291 167 G C 0.425 175.354 174.900 0.049 0.000 1.094 167 G CA 0.435 45.555 45.100 0.033 0.000 1.146 167 G HN 0.813 nan 8.290 nan 0.000 0.519 168 A N -1.141 121.692 122.820 0.022 0.000 2.260 168 A HA 0.871 5.191 4.320 -0.000 0.000 0.153 168 A C 1.412 178.945 177.584 -0.085 0.000 1.906 168 A CA 1.816 53.846 52.037 -0.011 0.000 1.444 168 A CB -0.539 18.448 19.000 -0.023 0.000 1.615 168 A HN 2.692 nan 8.150 nan 0.000 0.356 169 K N -1.045 119.318 120.400 -0.063 0.000 0.820 169 K HA 0.059 4.379 4.320 -0.000 0.000 0.789 169 K C -0.164 176.345 176.600 -0.153 0.000 2.208 169 K CA 1.035 57.289 56.287 -0.056 0.000 1.494 169 K CB -1.802 30.669 32.500 -0.048 0.000 2.681 169 K HN 1.862 nan 8.250 nan 0.000 0.276 170 L N 0.124 121.253 121.223 -0.156 0.000 2.475 170 L HA 0.727 5.067 4.340 -0.000 0.000 0.253 170 L C 0.613 177.214 176.870 -0.449 0.000 1.198 170 L CA 0.305 54.904 54.840 -0.402 0.000 0.814 170 L CB 1.483 43.155 42.059 -0.644 0.000 1.134 170 L HN 1.147 nan 8.230 nan 0.000 0.478 171 Q N 2.322 121.779 119.800 -0.572 0.000 2.275 171 Q HA 0.567 4.907 4.340 -0.000 0.000 0.266 171 Q C -2.766 173.094 176.000 -0.234 0.000 1.002 171 Q CA -1.848 53.706 55.803 -0.415 0.000 0.761 171 Q CB 2.094 30.461 28.738 -0.618 0.000 1.255 171 Q HN 0.363 nan 8.270 nan 0.000 0.446 172 P HA 0.400 nan 4.420 nan 0.000 0.292 172 P C -1.005 176.266 177.300 -0.049 0.000 1.287 172 P CA -0.211 62.931 63.100 0.069 0.000 0.800 172 P CB 0.872 32.716 31.700 0.240 0.000 0.945 173 L N 2.081 123.182 121.223 -0.203 0.000 2.371 173 L HA 0.414 4.754 4.340 -0.000 0.000 0.262 173 L C -0.037 176.564 176.870 -0.448 0.000 1.006 173 L CA -0.856 53.752 54.840 -0.386 0.000 0.818 173 L CB 2.376 44.045 42.059 -0.649 0.000 1.354 173 L HN 0.205 nan 8.230 nan 0.000 0.415 174 D N 0.549 120.774 120.400 -0.293 0.000 2.470 174 D HA 0.165 4.805 4.640 -0.000 0.000 0.226 174 D C 0.513 176.744 176.300 -0.115 0.000 1.196 174 D CA 0.076 53.982 54.000 -0.156 0.000 0.979 174 D CB 0.328 41.085 40.800 -0.073 0.000 1.059 174 D HN 0.199 nan 8.370 nan 0.000 0.515 175 F N 1.836 121.798 119.950 0.019 0.000 2.118 175 F HA 0.058 4.585 4.527 -0.000 0.000 0.293 175 F C 2.208 178.015 175.800 0.012 0.000 1.102 175 F CA 0.702 58.709 58.000 0.012 0.000 1.247 175 F CB -0.306 38.706 39.000 0.020 0.000 1.017 175 F HN 0.270 nan 8.300 nan 0.000 0.475 176 K N -0.249 120.283 120.400 0.220 0.000 2.160 176 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 176 K C 1.633 178.283 176.600 0.083 0.000 1.047 176 K CA 1.595 57.956 56.287 0.125 0.000 0.930 176 K CB -0.078 32.478 32.500 0.093 0.000 0.720 176 K HN 0.205 nan 8.250 nan 0.000 0.450 177 E N -0.300 119.939 120.200 0.066 0.000 2.364 177 E HA 0.056 4.406 4.350 -0.000 0.000 0.203 177 E C -0.097 176.526 176.600 0.038 0.000 0.888 177 E CA 0.467 56.891 56.400 0.041 0.000 0.989 177 E CB 0.386 30.099 29.700 0.023 0.000 0.985 177 E HN 0.139 nan 8.360 nan 0.000 0.499 178 N N 0.357 119.081 118.700 0.040 0.000 2.813 178 N HA 0.277 5.017 4.740 -0.000 0.000 0.282 178 N C 0.224 175.770 175.510 0.061 0.000 1.748 178 N CA 0.124 53.192 53.050 0.030 0.000 0.860 178 N CB 1.318 39.803 38.487 -0.003 0.000 1.204 178 N HN 0.001 nan 8.380 nan 0.000 0.490 179 A N 0.444 123.326 122.820 0.104 0.000 1.845 179 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 179 A C 1.980 179.621 177.584 0.094 0.000 1.195 179 A CA 1.418 53.552 52.037 0.163 0.000 0.616 179 A CB -0.315 18.757 19.000 0.120 0.000 0.832 179 A HN 0.455 nan 8.150 nan 0.000 0.443 180 E N -0.268 119.958 120.200 0.044 0.000 2.265 180 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 180 E C 1.992 178.591 176.600 -0.001 0.000 0.996 180 E CA 1.616 58.023 56.400 0.013 0.000 0.832 180 E CB -0.252 29.451 29.700 0.004 0.000 0.756 180 E HN 0.726 nan 8.360 nan 0.000 0.491 181 Q N -0.964 118.837 119.800 0.001 0.000 2.123 181 Q HA 0.013 4.353 4.340 -0.000 0.000 0.196 181 Q C 2.045 178.020 176.000 -0.041 0.000 0.958 181 Q CA 1.200 56.992 55.803 -0.019 0.000 0.841 181 Q CB 0.095 28.821 28.738 -0.020 0.000 0.915 181 Q HN 0.221 nan 8.270 nan 0.000 0.455 182 S N 0.547 116.222 115.700 -0.042 0.000 2.399 182 S HA -0.147 4.323 4.470 -0.000 0.000 0.231 182 S C 1.705 176.254 174.600 -0.085 0.000 1.022 182 S CA 0.936 59.070 58.200 -0.109 0.000 0.983 182 S CB -0.211 62.877 63.200 -0.186 0.000 0.803 182 S HN 0.321 nan 8.310 nan 0.000 0.480 183 R N 1.388 121.879 120.500 -0.015 0.000 2.073 183 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 183 R C 2.355 178.597 176.300 -0.097 0.000 1.134 183 R CA 1.466 57.530 56.100 -0.061 0.000 0.952 183 R CB -0.527 29.744 30.300 -0.047 0.000 0.850 183 R HN 0.388 nan 8.270 nan 0.000 0.433 184 A N 0.716 123.496 122.820 -0.066 0.000 1.972 184 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 184 A C 2.316 179.868 177.584 -0.053 0.000 1.169 184 A CA 1.580 53.584 52.037 -0.055 0.000 0.635 184 A CB -0.606 18.372 19.000 -0.037 0.000 0.810 184 A HN 0.563 nan 8.150 nan 0.000 0.446 185 A N 0.391 123.165 122.820 -0.076 0.000 1.835 185 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 185 A C 2.110 179.644 177.584 -0.083 0.000 1.199 185 A CA 1.600 53.596 52.037 -0.067 0.000 0.615 185 A CB -0.775 18.159 19.000 -0.111 0.000 0.838 185 A HN 0.475 nan 8.150 nan 0.000 0.444 186 I N -0.151 120.241 120.570 -0.296 0.000 2.118 186 I HA -0.332 3.838 4.170 -0.000 0.000 0.241 186 I C 2.354 178.432 176.117 -0.065 0.000 1.070 186 I CA 1.788 62.810 61.300 -0.463 0.000 1.327 186 I CB -0.648 36.877 38.000 -0.793 0.000 1.034 186 I HN 0.337 nan 8.210 nan 0.000 0.405 187 N N 1.255 119.907 118.700 -0.079 0.000 2.043 187 N HA -0.180 4.560 4.740 -0.000 0.000 0.193 187 N C 1.570 177.102 175.510 0.036 0.000 1.037 187 N CA 1.392 54.429 53.050 -0.021 0.000 0.851 187 N CB -0.244 38.207 38.487 -0.060 0.000 1.027 187 N HN 0.284 nan 8.380 nan 0.000 0.422 188 K N -1.281 119.140 120.400 0.036 0.000 2.574 188 K HA -0.119 4.201 4.320 -0.000 0.000 0.193 188 K C 1.279 177.950 176.600 0.118 0.000 1.035 188 K CA 0.291 56.607 56.287 0.047 0.000 0.982 188 K CB -0.032 32.488 32.500 0.033 0.000 0.795 188 K HN 0.372 nan 8.250 nan 0.000 0.491 189 W N -0.146 121.149 121.300 -0.008 0.000 2.580 189 W HA -0.051 4.609 4.660 -0.000 0.000 0.287 189 W C 1.445 177.987 176.519 0.038 0.000 1.175 189 W CA 0.286 57.656 57.345 0.042 0.000 1.409 189 W CB 0.020 29.559 29.460 0.132 0.000 1.101 189 W HN -0.296 nan 8.180 nan 0.000 0.558 190 V N 0.143 120.175 119.914 0.196 0.000 2.379 190 V HA -0.222 3.897 4.120 -0.000 0.000 0.245 190 V C 2.065 178.090 176.094 -0.115 0.000 1.044 190 V CA 2.057 64.362 62.300 0.007 0.000 1.036 190 V CB -1.245 30.680 31.823 0.170 0.000 0.664 190 V HN 0.221 nan 8.190 nan 0.000 0.453 191 S N -0.043 115.616 115.700 -0.069 0.000 2.803 191 S HA -0.064 4.406 4.470 -0.000 0.000 0.226 191 S C 1.500 176.016 174.600 -0.140 0.000 0.962 191 S CA 0.724 58.863 58.200 -0.103 0.000 0.968 191 S CB -0.726 62.432 63.200 -0.070 0.000 0.786 191 S HN 0.706 nan 8.310 nan 0.000 0.527 192 N N 0.814 119.395 118.700 -0.198 0.000 2.804 192 N HA 0.065 4.805 4.740 -0.000 0.000 0.233 192 N C 1.240 176.588 175.510 -0.271 0.000 1.020 192 N CA 0.139 53.056 53.050 -0.221 0.000 1.164 192 N CB -0.203 38.126 38.487 -0.263 0.000 1.571 192 N HN 0.078 nan 8.380 nan 0.000 0.551 193 K N 0.801 120.951 120.400 -0.417 0.000 2.189 193 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 193 K C 1.483 177.949 176.600 -0.223 0.000 1.046 193 K CA 1.792 57.857 56.287 -0.369 0.000 0.928 193 K CB -1.114 31.047 32.500 -0.564 0.000 0.720 193 K HN 0.592 nan 8.250 nan 0.000 0.458 194 T N -1.356 113.035 114.554 -0.271 0.000 3.278 194 T HA 0.144 4.494 4.350 -0.000 0.000 0.251 194 T C -0.160 174.205 174.700 -0.559 0.000 1.039 194 T CA -0.309 61.525 62.100 -0.443 0.000 0.935 194 T CB -0.408 68.210 68.868 -0.415 0.000 1.034 194 T HN 0.231 nan 8.240 nan 0.000 0.575 195 E N 0.653 120.696 120.200 -0.261 0.000 2.222 195 E HA -0.177 4.173 4.350 -0.000 0.000 0.189 195 E C 0.994 177.488 176.600 -0.176 0.000 1.415 195 E CA 0.275 56.582 56.400 -0.155 0.000 0.689 195 E CB -1.697 27.990 29.700 -0.023 0.000 1.107 195 E HN 0.921 nan 8.360 nan 0.000 0.350 196 G N 0.430 109.132 108.800 -0.165 0.000 2.380 196 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.298 196 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.298 196 G C 0.794 175.601 174.900 -0.156 0.000 0.989 196 G CA 1.255 46.274 45.100 -0.135 0.000 0.836 196 G HN 0.398 nan 8.290 nan 0.000 0.511 197 R N -0.380 119.978 120.500 -0.237 0.000 2.142 197 R HA 0.335 4.675 4.340 -0.000 0.000 0.204 197 R C 1.386 177.579 176.300 -0.179 0.000 1.059 197 R CA 0.414 56.384 56.100 -0.217 0.000 1.055 197 R CB 0.085 30.215 30.300 -0.282 0.000 0.976 197 R HN 0.393 nan 8.270 nan 0.000 0.483 198 I N 1.931 122.415 120.570 -0.143 0.000 2.278 198 I HA 0.127 4.297 4.170 -0.000 0.000 0.296 198 I C -0.210 175.868 176.117 -0.065 0.000 1.121 198 I CA -0.047 61.229 61.300 -0.039 0.000 1.267 198 I CB 1.075 39.101 38.000 0.043 0.000 1.447 198 I HN 0.047 nan 8.210 nan 0.000 0.509 199 T N 4.030 118.533 114.554 -0.085 0.000 2.867 199 T HA 0.192 4.542 4.350 -0.000 0.000 0.282 199 T C -0.234 174.432 174.700 -0.056 0.000 1.000 199 T CA -0.062 61.993 62.100 -0.074 0.000 1.042 199 T CB 0.516 69.329 68.868 -0.092 0.000 0.973 199 T HN 0.687 nan 8.240 nan 0.000 0.465 200 D N 2.233 122.602 120.400 -0.052 0.000 2.848 200 D HA -0.135 4.505 4.640 -0.000 0.000 0.245 200 D C 1.013 177.280 176.300 -0.054 0.000 1.122 200 D CA 0.414 54.379 54.000 -0.058 0.000 0.769 200 D CB -0.871 39.894 40.800 -0.059 0.000 1.025 200 D HN 0.277 nan 8.370 nan 0.000 0.423 201 V N 0.078 119.965 119.914 -0.046 0.000 2.244 201 V HA -0.137 3.983 4.120 -0.000 0.000 0.244 201 V C 1.515 177.510 176.094 -0.165 0.000 1.042 201 V CA 1.247 63.532 62.300 -0.025 0.000 1.006 201 V CB -0.123 31.723 31.823 0.039 0.000 0.641 201 V HN 0.446 nan 8.190 nan 0.000 0.446 202 I N 1.887 122.265 120.570 -0.320 0.000 2.315 202 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 202 I C -2.447 173.462 176.117 -0.347 0.000 1.006 202 I CA -1.851 59.065 61.300 -0.639 0.000 1.265 202 I CB 1.364 38.907 38.000 -0.762 0.000 1.387 202 I HN 0.163 nan 8.210 nan 0.000 0.475 203 P HA 0.120 nan 4.420 nan 0.000 0.276 203 P C -0.525 176.707 177.300 -0.113 0.000 1.252 203 P CA -0.583 62.436 63.100 -0.134 0.000 0.802 203 P CB 0.682 32.343 31.700 -0.065 0.000 1.035 204 S N -0.054 115.606 115.700 -0.068 0.000 2.560 204 S HA 0.364 4.834 4.470 -0.000 0.000 0.284 204 S C 0.957 175.541 174.600 -0.028 0.000 1.327 204 S CA 0.494 58.666 58.200 -0.047 0.000 1.055 204 S CB -0.790 62.390 63.200 -0.032 0.000 0.868 204 S HN 0.780 nan 8.310 nan 0.000 0.506 205 E N -0.178 120.012 120.200 -0.018 0.000 3.628 205 E HA -0.218 4.132 4.350 -0.000 0.000 0.309 205 E C 0.943 177.553 176.600 0.017 0.000 0.839 205 E CA 1.683 58.084 56.400 0.001 0.000 1.123 205 E CB -2.325 27.378 29.700 0.006 0.000 1.568 205 E HN 1.922 nan 8.360 nan 0.000 0.440 206 A N -0.847 121.976 122.820 0.005 0.000 2.147 206 A HA 0.656 4.975 4.320 -0.000 0.000 0.211 206 A C 1.095 178.728 177.584 0.081 0.000 1.160 206 A CA 1.119 53.202 52.037 0.076 0.000 0.781 206 A CB 0.397 19.408 19.000 0.018 0.000 0.842 206 A HN 0.944 nan 8.150 nan 0.000 0.475 207 I N 1.181 121.747 120.570 -0.006 0.000 2.499 207 I HA 0.293 4.463 4.170 -0.000 0.000 0.288 207 I C -1.239 174.860 176.117 -0.031 0.000 1.048 207 I CA -0.828 60.436 61.300 -0.060 0.000 1.062 207 I CB 2.265 40.204 38.000 -0.101 0.000 1.238 207 I HN 0.418 nan 8.210 nan 0.000 0.426 208 N N 3.849 122.524 118.700 -0.040 0.000 2.761 208 N HA 0.255 4.995 4.740 -0.000 0.000 0.283 208 N C 0.360 175.882 175.510 0.020 0.000 1.377 208 N CA -0.855 52.198 53.050 0.005 0.000 0.791 208 N CB 0.427 38.922 38.487 0.012 0.000 1.540 208 N HN 0.451 nan 8.380 nan 0.000 0.539 209 E N -0.119 120.110 120.200 0.048 0.000 2.501 209 E HA -0.119 4.231 4.350 -0.000 0.000 0.203 209 E C 0.593 177.231 176.600 0.063 0.000 1.072 209 E CA 0.868 57.311 56.400 0.072 0.000 0.885 209 E CB -0.512 29.224 29.700 0.060 0.000 0.813 209 E HN 0.687 nan 8.360 nan 0.000 0.556 210 L N 0.701 121.945 121.223 0.034 0.000 2.640 210 L HA 0.125 4.465 4.340 -0.000 0.000 0.230 210 L C 0.456 177.326 176.870 -0.001 0.000 1.123 210 L CA -0.064 54.799 54.840 0.040 0.000 0.900 210 L CB 0.264 42.354 42.059 0.051 0.000 1.146 210 L HN -0.138 nan 8.230 nan 0.000 0.484 211 T N 0.229 114.724 114.554 -0.098 0.000 2.853 211 T HA 0.087 4.437 4.350 -0.000 0.000 0.298 211 T C 1.159 175.718 174.700 -0.234 0.000 0.978 211 T CA -0.088 61.841 62.100 -0.286 0.000 1.152 211 T CB 2.111 70.562 68.868 -0.694 0.000 0.914 211 T HN -0.132 nan 8.240 nan 0.000 0.539 212 V N 3.549 123.311 119.914 -0.254 0.000 2.502 212 V HA 0.323 4.443 4.120 -0.000 0.000 0.234 212 V C 0.741 176.785 176.094 -0.083 0.000 1.072 212 V CA 0.397 62.592 62.300 -0.176 0.000 1.094 212 V CB -0.053 31.497 31.823 -0.455 0.000 0.761 212 V HN 0.623 nan 8.190 nan 0.000 0.489 213 L N 0.733 121.821 121.223 -0.224 0.000 2.365 213 L HA 0.650 4.990 4.340 -0.000 0.000 0.273 213 L C -1.599 175.232 176.870 -0.065 0.000 1.000 213 L CA -0.327 54.460 54.840 -0.088 0.000 0.819 213 L CB 2.127 44.099 42.059 -0.145 0.000 1.284 213 L HN 0.047 nan 8.230 nan 0.000 0.418 214 V N 4.887 124.848 119.914 0.078 0.000 2.656 214 V HA 0.446 4.566 4.120 -0.000 0.000 0.307 214 V C -0.796 175.402 176.094 0.174 0.000 1.051 214 V CA -0.632 61.751 62.300 0.138 0.000 0.893 214 V CB 2.329 34.295 31.823 0.237 0.000 0.999 214 V HN 0.498 nan 8.190 nan 0.000 0.426 215 L N 5.577 126.864 121.223 0.107 0.000 2.333 215 L HA 0.785 5.125 4.340 -0.000 0.000 0.280 215 L C -0.569 176.405 176.870 0.174 0.000 1.004 215 L CA -0.038 54.819 54.840 0.028 0.000 0.820 215 L CB 1.683 43.624 42.059 -0.197 0.000 1.247 215 L HN 0.505 nan 8.230 nan 0.000 0.416 216 V N 5.526 125.575 119.914 0.226 0.000 2.960 216 V HA 0.836 4.956 4.120 -0.000 0.000 0.315 216 V C -1.409 174.817 176.094 0.221 0.000 1.087 216 V CA -0.228 62.268 62.300 0.325 0.000 0.982 216 V CB 2.334 34.417 31.823 0.433 0.000 1.039 216 V HN 1.074 nan 8.190 nan 0.000 0.437 217 N N 1.461 120.316 118.700 0.258 0.000 2.999 217 N HA 0.543 5.283 4.740 -0.000 0.000 0.244 217 N C -1.183 174.464 175.510 0.227 0.000 1.106 217 N CA -0.145 53.038 53.050 0.221 0.000 1.018 217 N CB 1.747 40.335 38.487 0.168 0.000 1.600 217 N HN 0.830 nan 8.380 nan 0.000 0.621 218 T N -0.275 114.402 114.554 0.206 0.000 2.894 218 T HA 0.665 5.015 4.350 -0.000 0.000 0.309 218 T C -0.997 173.847 174.700 0.240 0.000 1.208 218 T CA -0.721 61.487 62.100 0.180 0.000 1.016 218 T CB 1.231 70.194 68.868 0.157 0.000 1.192 218 T HN 0.490 nan 8.240 nan 0.000 0.491 219 I N 2.090 122.866 120.570 0.344 0.000 2.545 219 I HA 0.506 4.676 4.170 -0.000 0.000 0.292 219 I C -1.550 174.921 176.117 0.590 0.000 1.040 219 I CA -1.177 60.361 61.300 0.397 0.000 1.068 219 I CB 2.307 40.463 38.000 0.260 0.000 1.251 219 I HN 0.755 nan 8.210 nan 0.000 0.424 220 Y N 7.022 127.509 120.300 0.311 0.000 2.341 220 Y HA 0.537 5.087 4.550 -0.000 0.000 0.338 220 Y C -1.712 174.354 175.900 0.277 0.000 0.965 220 Y CA -1.481 56.751 58.100 0.219 0.000 1.108 220 Y CB 1.460 39.987 38.460 0.112 0.000 1.180 220 Y HN 0.373 nan 8.280 nan 0.000 0.458 221 F N 5.689 125.479 119.950 -0.268 0.000 2.499 221 F HA 0.538 5.065 4.527 -0.000 0.000 0.333 221 F C -1.548 173.889 175.800 -0.604 0.000 1.138 221 F CA -0.667 57.127 58.000 -0.343 0.000 0.945 221 F CB 1.075 40.075 39.000 0.001 0.000 1.181 221 F HN 0.283 nan 8.300 nan 0.000 0.435 222 K N 4.044 123.592 120.400 -1.421 0.000 2.274 222 K HA 0.916 5.236 4.320 -0.000 0.000 0.262 222 K C -0.618 175.145 176.600 -1.396 0.000 0.961 222 K CA -0.068 55.521 56.287 -1.163 0.000 0.833 222 K CB 1.057 33.115 32.500 -0.736 0.000 1.102 222 K HN 1.227 nan 8.250 nan 0.000 0.436 223 G N 2.338 110.432 108.800 -1.177 0.000 2.673 223 G HA2 0.557 4.517 3.960 -0.000 0.000 0.292 223 G HA3 0.557 4.517 3.960 -0.000 0.000 0.292 223 G C -1.552 173.140 174.900 -0.346 0.000 1.450 223 G CA -0.844 43.741 45.100 -0.858 0.000 0.837 223 G HN 0.649 nan 8.290 nan 0.000 0.505 224 L N 0.074 121.266 121.223 -0.051 0.000 2.334 224 L HA 0.506 4.846 4.340 -0.000 0.000 0.276 224 L C -0.275 176.768 176.870 0.288 0.000 1.014 224 L CA -0.906 53.967 54.840 0.056 0.000 0.815 224 L CB 1.985 44.081 42.059 0.062 0.000 1.268 224 L HN 0.633 nan 8.230 nan 0.000 0.428 225 W N 2.171 123.657 121.300 0.309 0.000 2.231 225 W HA 0.011 4.671 4.660 -0.000 0.000 0.341 225 W C 1.513 178.104 176.519 0.120 0.000 1.298 225 W CA -0.189 57.256 57.345 0.167 0.000 1.266 225 W CB 0.704 30.239 29.460 0.124 0.000 1.172 225 W HN 0.613 nan 8.180 nan 0.000 0.568 226 K N 1.037 121.656 120.400 0.366 0.000 2.217 226 K HA -0.104 4.216 4.320 -0.000 0.000 0.202 226 K C 0.681 177.366 176.600 0.143 0.000 1.051 226 K CA 1.077 57.488 56.287 0.207 0.000 0.952 226 K CB 0.064 32.654 32.500 0.150 0.000 0.736 226 K HN 0.243 nan 8.250 nan 0.000 0.453 227 S N 1.064 116.850 115.700 0.144 0.000 2.395 227 S HA 0.259 4.728 4.470 -0.000 0.000 0.207 227 S C -1.192 173.376 174.600 -0.052 0.000 1.454 227 S CA -0.895 57.313 58.200 0.013 0.000 1.211 227 S CB 0.319 63.474 63.200 -0.075 0.000 1.093 227 S HN 0.179 nan 8.310 nan 0.000 0.472 228 K N 1.898 122.365 120.400 0.111 0.000 2.344 228 K HA 0.223 4.543 4.320 -0.000 0.000 0.260 228 K C -0.632 175.964 176.600 -0.006 0.000 0.988 228 K CA 0.265 56.684 56.287 0.221 0.000 0.909 228 K CB 0.295 32.965 32.500 0.283 0.000 0.968 228 K HN 0.383 nan 8.250 nan 0.000 0.505 229 F N -0.127 119.890 119.950 0.111 0.000 2.425 229 F HA 0.167 4.694 4.527 -0.000 0.000 0.331 229 F C 0.892 176.752 175.800 0.099 0.000 1.085 229 F CA -0.712 57.326 58.000 0.063 0.000 1.028 229 F CB 1.762 40.785 39.000 0.038 0.000 1.177 229 F HN 0.315 nan 8.300 nan 0.000 0.487 230 S N 3.260 119.122 115.700 0.270 0.000 2.439 230 S HA 0.264 4.734 4.470 -0.000 0.000 0.282 230 S C -1.735 172.973 174.600 0.180 0.000 1.170 230 S CA -1.493 56.821 58.200 0.190 0.000 1.054 230 S CB 0.804 64.091 63.200 0.145 0.000 0.956 230 S HN 0.318 nan 8.310 nan 0.000 0.490 231 P HA -0.120 nan 4.420 nan 0.000 0.217 231 P C 0.677 178.028 177.300 0.084 0.000 1.148 231 P CA 1.066 64.231 63.100 0.108 0.000 0.834 231 P CB 0.141 31.894 31.700 0.088 0.000 0.783 232 E N -1.508 118.741 120.200 0.081 0.000 2.418 232 E HA -0.066 4.284 4.350 -0.000 0.000 0.197 232 E C 1.395 178.027 176.600 0.054 0.000 1.026 232 E CA 0.634 57.069 56.400 0.058 0.000 0.862 232 E CB -0.762 28.969 29.700 0.052 0.000 0.799 232 E HN 0.336 nan 8.360 nan 0.000 0.518 233 N N -0.441 118.313 118.700 0.091 0.000 2.322 233 N HA 0.022 4.761 4.740 -0.000 0.000 0.181 233 N C 0.030 175.589 175.510 0.081 0.000 1.088 233 N CA 0.260 53.366 53.050 0.094 0.000 0.885 233 N CB 0.357 38.981 38.487 0.228 0.000 1.013 233 N HN 0.034 nan 8.380 nan 0.000 0.472 234 T N 1.691 116.294 114.554 0.083 0.000 2.937 234 T HA 0.189 4.538 4.350 -0.000 0.000 0.316 234 T C 0.499 175.205 174.700 0.011 0.000 1.079 234 T CA 0.477 62.605 62.100 0.046 0.000 1.131 234 T CB 0.891 69.781 68.868 0.037 0.000 1.000 234 T HN 0.110 nan 8.240 nan 0.000 0.549 235 R N 0.531 121.026 120.500 -0.007 0.000 2.692 235 R HA 0.288 4.627 4.340 -0.000 0.000 0.269 235 R C -1.168 175.126 176.300 -0.010 0.000 1.030 235 R CA -1.066 55.023 56.100 -0.018 0.000 0.882 235 R CB 1.282 31.554 30.300 -0.047 0.000 1.250 235 R HN 0.301 nan 8.270 nan 0.000 0.465 236 K N 2.635 123.032 120.400 -0.006 0.000 2.310 236 K HA 0.231 4.551 4.320 -0.000 0.000 0.290 236 K C -0.655 175.947 176.600 0.004 0.000 1.077 236 K CA 0.301 56.589 56.287 0.002 0.000 0.922 236 K CB 0.848 33.349 32.500 0.002 0.000 1.057 236 K HN 0.532 nan 8.250 nan 0.000 0.479 237 E N 2.012 122.220 120.200 0.013 0.000 2.433 237 E HA 0.380 4.730 4.350 -0.000 0.000 0.273 237 E C -0.491 176.110 176.600 0.001 0.000 0.950 237 E CA -1.000 55.413 56.400 0.022 0.000 0.796 237 E CB 1.686 31.413 29.700 0.045 0.000 1.330 237 E HN 0.238 nan 8.360 nan 0.000 0.455 238 L N 2.044 123.238 121.223 -0.049 0.000 2.360 238 L HA 0.289 4.629 4.340 -0.000 0.000 0.276 238 L C -0.604 176.018 176.870 -0.415 0.000 1.121 238 L CA -0.186 54.500 54.840 -0.257 0.000 0.845 238 L CB 0.079 41.903 42.059 -0.391 0.000 1.143 238 L HN 0.390 nan 8.230 nan 0.000 0.452 239 F N 4.149 123.814 119.950 -0.475 0.000 2.426 239 F HA 0.405 4.932 4.527 -0.000 0.000 0.348 239 F C -0.771 174.756 175.800 -0.455 0.000 1.124 239 F CA -0.722 57.075 58.000 -0.339 0.000 1.008 239 F CB 0.718 39.652 39.000 -0.110 0.000 1.139 239 F HN 0.183 nan 8.300 nan 0.000 0.452 240 Y N 5.891 125.941 120.300 -0.416 0.000 2.425 240 Y HA 0.350 4.900 4.550 -0.000 0.000 0.347 240 Y C 0.468 176.188 175.900 -0.300 0.000 0.976 240 Y CA -0.702 57.251 58.100 -0.245 0.000 1.190 240 Y CB 0.508 38.844 38.460 -0.206 0.000 1.136 240 Y HN 0.432 nan 8.280 nan 0.000 0.517 241 K N 1.322 121.778 120.400 0.094 0.000 2.120 241 K HA 0.409 4.729 4.320 -0.000 0.000 0.245 241 K C 1.018 177.665 176.600 0.079 0.000 1.024 241 K CA 0.122 56.505 56.287 0.160 0.000 0.906 241 K CB 0.751 33.366 32.500 0.192 0.000 1.051 241 K HN 0.763 nan 8.250 nan 0.000 0.491 242 A N 1.548 124.413 122.820 0.074 0.000 1.933 242 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 242 A C 1.260 178.866 177.584 0.036 0.000 1.175 242 A CA 2.076 54.138 52.037 0.041 0.000 0.628 242 A CB -0.747 18.276 19.000 0.039 0.000 0.814 242 A HN 0.883 nan 8.150 nan 0.000 0.444 243 D N -1.603 118.823 120.400 0.044 0.000 2.370 243 D HA 0.287 4.927 4.640 -0.000 0.000 0.256 243 D C 1.158 177.480 176.300 0.038 0.000 1.197 243 D CA 0.980 55.000 54.000 0.035 0.000 0.922 243 D CB -0.835 39.986 40.800 0.033 0.000 0.911 243 D HN 0.685 nan 8.370 nan 0.000 0.517 244 G N -0.627 108.199 108.800 0.043 0.000 2.435 244 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.245 244 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.245 244 G C 0.305 175.252 174.900 0.078 0.000 1.073 244 G CA 0.308 45.437 45.100 0.048 0.000 0.638 244 G HN 0.431 nan 8.290 nan 0.000 0.521 245 E N 1.512 121.756 120.200 0.072 0.000 2.383 245 E HA 0.497 4.847 4.350 -0.000 0.000 0.264 245 E C 0.859 177.519 176.600 0.100 0.000 1.050 245 E CA 0.637 57.083 56.400 0.078 0.000 0.896 245 E CB 1.395 31.129 29.700 0.056 0.000 0.982 245 E HN 0.729 nan 8.360 nan 0.000 0.424 246 S N 0.904 116.657 115.700 0.088 0.000 2.766 246 S HA 0.785 5.255 4.470 -0.000 0.000 0.307 246 S C -0.036 174.567 174.600 0.006 0.000 1.121 246 S CA -0.624 57.590 58.200 0.024 0.000 0.980 246 S CB 1.249 64.420 63.200 -0.049 0.000 1.159 246 S HN 0.747 nan 8.310 nan 0.000 0.546 247 c N -1.078 117.504 118.600 -0.031 0.000 3.303 247 c HA 0.798 5.368 4.570 -0.000 0.000 0.340 247 c C -0.165 173.914 174.090 -0.019 0.000 1.274 247 c CA -0.822 55.504 56.329 -0.005 0.000 1.234 247 c CB 0.663 43.186 42.510 0.022 0.000 1.532 247 c HN 0.929 nan 8.230 nan 0.000 0.483 248 S N 0.601 116.292 115.700 -0.014 0.000 2.565 248 S HA 0.762 5.232 4.470 -0.000 0.000 0.274 248 S C 0.038 174.637 174.600 -0.002 0.000 1.309 248 S CA 0.527 58.721 58.200 -0.010 0.000 1.043 248 S CB 0.449 63.645 63.200 -0.007 0.000 0.939 248 S HN 2.122 nan 8.310 nan 0.000 0.504 249 A N 3.121 125.950 122.820 0.014 0.000 2.539 249 A HA 0.671 4.991 4.320 -0.000 0.000 0.296 249 A C -0.545 177.056 177.584 0.027 0.000 1.073 249 A CA -0.716 51.330 52.037 0.015 0.000 0.700 249 A CB 1.475 20.491 19.000 0.026 0.000 1.296 249 A HN 0.663 nan 8.150 nan 0.000 0.405 250 S N 1.339 117.054 115.700 0.025 0.000 2.494 250 S HA 0.298 4.768 4.470 -0.000 0.000 0.312 250 S C -0.042 174.575 174.600 0.029 0.000 1.121 250 S CA -0.007 58.206 58.200 0.021 0.000 1.068 250 S CB -0.516 62.693 63.200 0.016 0.000 1.141 250 S HN 0.559 nan 8.310 nan 0.000 0.527 251 M N 4.732 124.347 119.600 0.024 0.000 2.120 251 M HA 0.355 4.835 4.480 -0.000 0.000 0.354 251 M C -0.384 175.909 176.300 -0.011 0.000 1.287 251 M CA 0.118 55.431 55.300 0.022 0.000 1.103 251 M CB 0.121 32.725 32.600 0.008 0.000 1.623 251 M HN 0.508 nan 8.290 nan 0.000 0.471 252 M N 4.020 123.590 119.600 -0.051 0.000 2.274 252 M HA 0.312 4.792 4.480 -0.000 0.000 0.344 252 M C -1.090 175.279 176.300 0.115 0.000 1.161 252 M CA -0.407 54.844 55.300 -0.083 0.000 1.126 252 M CB 1.120 33.406 32.600 -0.523 0.000 1.522 252 M HN 0.613 nan 8.290 nan 0.000 0.461 253 Y N 1.402 121.791 120.300 0.148 0.000 2.524 253 Y HA 0.569 5.119 4.550 -0.000 0.000 0.344 253 Y C -0.838 175.258 175.900 0.327 0.000 1.012 253 Y CA -0.436 57.789 58.100 0.208 0.000 1.068 253 Y CB 1.811 40.311 38.460 0.068 0.000 1.249 253 Y HN 0.719 nan 8.280 nan 0.000 0.468 254 Q N 3.568 123.088 119.800 -0.468 0.000 2.574 254 Q HA 0.274 4.614 4.340 -0.000 0.000 0.265 254 Q C -2.318 173.420 176.000 -0.438 0.000 0.975 254 Q CA -0.719 54.886 55.803 -0.330 0.000 0.923 254 Q CB 1.714 30.192 28.738 -0.432 0.000 1.518 254 Q HN 0.797 nan 8.270 nan 0.000 0.401 255 E N 1.707 121.801 120.200 -0.177 0.000 2.234 255 E HA 0.780 5.130 4.350 -0.000 0.000 0.266 255 E C -1.064 175.539 176.600 0.005 0.000 0.877 255 E CA -0.481 55.878 56.400 -0.067 0.000 0.758 255 E CB 1.798 31.493 29.700 -0.008 0.000 1.170 255 E HN 0.839 nan 8.360 nan 0.000 0.415 256 G N 1.285 110.110 108.800 0.042 0.000 2.428 256 G HA2 0.175 4.135 3.960 -0.000 0.000 0.304 256 G HA3 0.175 4.135 3.960 -0.000 0.000 0.304 256 G C -1.491 173.213 174.900 -0.326 0.000 1.303 256 G CA -0.716 44.253 45.100 -0.218 0.000 0.825 256 G HN 0.282 nan 8.290 nan 0.000 0.484 257 K N -0.276 119.804 120.400 -0.535 0.000 2.201 257 K HA 0.765 5.085 4.320 -0.000 0.000 0.278 257 K C -1.351 174.813 176.600 -0.726 0.000 1.027 257 K CA -0.368 55.677 56.287 -0.404 0.000 0.909 257 K CB 0.812 33.151 32.500 -0.268 0.000 1.062 257 K HN 0.382 nan 8.250 nan 0.000 0.465 258 F N 0.062 119.939 119.950 -0.121 0.000 2.613 258 F HA 0.446 4.973 4.527 -0.000 0.000 0.310 258 F C 0.643 176.405 175.800 -0.063 0.000 1.085 258 F CA -1.280 56.648 58.000 -0.121 0.000 0.945 258 F CB 1.703 40.593 39.000 -0.183 0.000 1.298 258 F HN 0.237 nan 8.300 nan 0.000 0.455 259 R N 1.675 122.264 120.500 0.149 0.000 2.370 259 R HA 0.240 4.580 4.340 -0.000 0.000 0.309 259 R C -1.382 174.995 176.300 0.127 0.000 1.059 259 R CA -0.066 56.091 56.100 0.096 0.000 0.981 259 R CB 0.385 30.717 30.300 0.054 0.000 0.972 259 R HN 0.668 nan 8.270 nan 0.000 0.437 260 Y N 1.796 122.081 120.300 -0.025 0.000 2.605 260 Y HA 0.564 5.114 4.550 -0.000 0.000 0.343 260 Y C -1.017 174.858 175.900 -0.042 0.000 1.036 260 Y CA -1.356 56.711 58.100 -0.055 0.000 1.065 260 Y CB 1.967 40.397 38.460 -0.049 0.000 1.288 260 Y HN 0.432 nan 8.280 nan 0.000 0.481 261 R N 3.209 123.179 120.500 -0.882 0.000 2.725 261 R HA 0.285 4.625 4.340 -0.000 0.000 0.276 261 R C -2.143 173.680 176.300 -0.795 0.000 1.189 261 R CA -0.594 55.147 56.100 -0.598 0.000 1.083 261 R CB 0.808 30.926 30.300 -0.303 0.000 1.262 261 R HN 0.828 nan 8.270 nan 0.000 0.415 262 R N 4.226 124.415 120.500 -0.518 0.000 2.202 262 R HA 0.445 4.785 4.340 -0.000 0.000 0.334 262 R C 0.438 176.592 176.300 -0.243 0.000 1.036 262 R CA -0.374 55.537 56.100 -0.315 0.000 0.878 262 R CB 0.590 30.876 30.300 -0.023 0.000 1.067 262 R HN 0.523 nan 8.270 nan 0.000 0.457 263 V N 1.798 121.514 119.914 -0.329 0.000 4.813 263 V HA 0.692 4.812 4.120 -0.000 0.000 0.275 263 V C 0.295 176.319 176.094 -0.116 0.000 1.377 263 V CA -0.525 61.618 62.300 -0.263 0.000 0.774 263 V CB 0.169 31.644 31.823 -0.579 0.000 1.308 263 V HN 0.752 nan 8.190 nan 0.000 0.426 264 A N -0.322 122.486 122.820 -0.021 0.000 2.488 264 A HA 0.396 4.715 4.320 -0.000 0.000 0.249 264 A C 0.612 178.200 177.584 0.006 0.000 1.083 264 A CA 0.704 52.763 52.037 0.037 0.000 0.768 264 A CB -1.140 17.935 19.000 0.124 0.000 1.017 264 A HN 1.194 nan 8.150 nan 0.000 0.496 265 E N 0.859 121.062 120.200 0.005 0.000 2.513 265 E HA -0.241 4.109 4.350 -0.000 0.000 0.257 265 E C 0.981 177.566 176.600 -0.025 0.000 1.098 265 E CA 1.077 57.476 56.400 -0.002 0.000 0.752 265 E CB -1.847 27.862 29.700 0.015 0.000 1.324 265 E HN 2.236 nan 8.360 nan 0.000 0.403 266 G N -0.715 108.061 108.800 -0.040 0.000 2.189 266 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.267 266 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.267 266 G C 0.432 175.282 174.900 -0.083 0.000 0.975 266 G CA 0.632 45.702 45.100 -0.050 0.000 0.644 266 G HN 0.339 nan 8.290 nan 0.000 0.537 267 T N 1.569 116.051 114.554 -0.120 0.000 2.853 267 T HA 0.417 4.767 4.350 -0.000 0.000 0.298 267 T C 0.479 175.026 174.700 -0.254 0.000 0.978 267 T CA 0.504 62.499 62.100 -0.174 0.000 1.152 267 T CB 0.818 69.554 68.868 -0.219 0.000 0.914 267 T HN 0.471 nan 8.240 nan 0.000 0.539 268 Q N 1.919 121.616 119.800 -0.172 0.000 2.256 268 Q HA 0.568 4.908 4.340 -0.000 0.000 0.257 268 Q C -0.870 175.045 176.000 -0.142 0.000 0.936 268 Q CA -0.818 54.886 55.803 -0.166 0.000 0.903 268 Q CB 1.882 30.726 28.738 0.175 0.000 1.263 268 Q HN 0.393 nan 8.270 nan 0.000 0.440 269 V N 3.474 123.170 119.914 -0.363 0.000 2.417 269 V HA 0.438 4.558 4.120 -0.000 0.000 0.291 269 V C -0.929 175.019 176.094 -0.244 0.000 1.024 269 V CA -0.761 61.394 62.300 -0.243 0.000 0.861 269 V CB 1.375 33.022 31.823 -0.293 0.000 0.985 269 V HN 0.528 nan 8.190 nan 0.000 0.436 270 L N 4.283 125.398 121.223 -0.180 0.000 2.385 270 L HA 0.660 5.000 4.340 -0.000 0.000 0.273 270 L C -0.513 176.239 176.870 -0.196 0.000 0.990 270 L CA -0.142 54.511 54.840 -0.313 0.000 0.821 270 L CB 1.897 43.414 42.059 -0.904 0.000 1.279 270 L HN 0.797 nan 8.230 nan 0.000 0.412 271 E N 4.865 124.991 120.200 -0.123 0.000 2.158 271 E HA 0.564 4.914 4.350 -0.000 0.000 0.271 271 E C -1.728 174.842 176.600 -0.050 0.000 0.911 271 E CA -0.600 55.773 56.400 -0.046 0.000 0.767 271 E CB 1.185 30.894 29.700 0.016 0.000 1.120 271 E HN 0.707 nan 8.360 nan 0.000 0.405 272 L N 7.139 128.319 121.223 -0.073 0.000 2.342 272 L HA 0.490 4.830 4.340 -0.000 0.000 0.276 272 L C -2.229 174.639 176.870 -0.003 0.000 0.997 272 L CA -2.058 52.712 54.840 -0.117 0.000 0.838 272 L CB 1.549 43.328 42.059 -0.467 0.000 1.224 272 L HN 0.428 nan 8.230 nan 0.000 0.416 273 P HA 0.281 nan 4.420 nan 0.000 0.279 273 P C -0.920 176.438 177.300 0.097 0.000 1.252 273 P CA -0.275 62.873 63.100 0.080 0.000 0.811 273 P CB 1.088 32.853 31.700 0.108 0.000 1.035 274 F N 0.210 120.349 119.950 0.315 0.000 2.411 274 F HA 0.300 4.827 4.527 -0.000 0.000 0.324 274 F C 1.605 177.524 175.800 0.199 0.000 1.086 274 F CA -0.820 57.352 58.000 0.287 0.000 1.028 274 F CB 0.703 39.876 39.000 0.289 0.000 1.284 274 F HN 0.009 nan 8.300 nan 0.000 0.501 275 K N 1.480 122.105 120.400 0.375 0.000 2.366 275 K HA 0.175 4.495 4.320 -0.000 0.000 0.279 275 K C 0.669 177.385 176.600 0.192 0.000 1.098 275 K CA 1.049 57.468 56.287 0.219 0.000 1.087 275 K CB -0.396 32.197 32.500 0.156 0.000 0.901 275 K HN 0.971 nan 8.250 nan 0.000 0.463 276 G N 2.514 111.407 108.800 0.155 0.000 2.905 276 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.196 276 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.196 276 G C 0.116 175.087 174.900 0.119 0.000 1.044 276 G CA -0.042 45.133 45.100 0.126 0.000 0.778 276 G HN 0.679 nan 8.290 nan 0.000 0.474 277 D N 0.318 120.810 120.400 0.152 0.000 3.077 277 D HA -0.153 4.487 4.640 -0.000 0.000 0.212 277 D C 0.638 177.005 176.300 0.112 0.000 1.125 277 D CA 1.690 55.764 54.000 0.123 0.000 0.970 277 D CB -1.167 39.680 40.800 0.079 0.000 1.110 277 D HN 0.638 nan 8.370 nan 0.000 0.419 278 D N -0.306 120.170 120.400 0.127 0.000 2.380 278 D HA 0.246 4.886 4.640 -0.000 0.000 0.212 278 D C 0.902 177.264 176.300 0.103 0.000 1.021 278 D CA 0.455 54.511 54.000 0.092 0.000 0.884 278 D CB 0.942 41.785 40.800 0.072 0.000 1.001 278 D HN 0.282 nan 8.370 nan 0.000 0.506 279 I N 0.967 121.645 120.570 0.180 0.000 2.465 279 I HA 0.358 4.528 4.170 -0.000 0.000 0.291 279 I C -0.444 175.919 176.117 0.411 0.000 1.014 279 I CA -0.550 60.870 61.300 0.200 0.000 1.093 279 I CB 2.105 40.153 38.000 0.080 0.000 1.267 279 I HN -0.096 nan 8.210 nan 0.000 0.431 280 T N 2.975 117.714 114.554 0.308 0.000 2.864 280 T HA 0.608 4.958 4.350 -0.000 0.000 0.299 280 T C -0.829 174.038 174.700 0.278 0.000 1.166 280 T CA -0.885 61.364 62.100 0.249 0.000 1.007 280 T CB 2.144 71.097 68.868 0.142 0.000 1.219 280 T HN 0.538 nan 8.240 nan 0.000 0.506 281 M N 2.606 122.342 119.600 0.227 0.000 2.227 281 M HA 0.641 5.121 4.480 -0.000 0.000 0.335 281 M C -1.710 174.730 176.300 0.234 0.000 1.053 281 M CA -0.749 54.751 55.300 0.333 0.000 0.973 281 M CB 1.235 34.119 32.600 0.474 0.000 1.623 281 M HN 0.614 nan 8.290 nan 0.000 0.434 282 V N 6.490 126.572 119.914 0.280 0.000 2.398 282 V HA 0.457 4.577 4.120 -0.000 0.000 0.286 282 V C -0.295 175.979 176.094 0.301 0.000 1.026 282 V CA -0.733 61.699 62.300 0.220 0.000 0.868 282 V CB 1.450 33.385 31.823 0.187 0.000 0.982 282 V HN 0.776 nan 8.190 nan 0.000 0.443 283 L N 5.575 126.905 121.223 0.178 0.000 2.295 283 L HA 0.598 4.938 4.340 -0.000 0.000 0.285 283 L C -0.888 176.122 176.870 0.232 0.000 1.035 283 L CA -0.622 54.349 54.840 0.217 0.000 0.806 283 L CB 1.781 43.880 42.059 0.067 0.000 1.214 283 L HN 0.454 nan 8.230 nan 0.000 0.426 284 I N 4.481 125.235 120.570 0.308 0.000 2.371 284 I HA 0.267 4.437 4.170 -0.000 0.000 0.282 284 I C -0.491 175.754 176.117 0.214 0.000 1.031 284 I CA -0.070 61.364 61.300 0.223 0.000 1.180 284 I CB 1.470 39.665 38.000 0.326 0.000 1.336 284 I HN 0.334 nan 8.210 nan 0.000 0.467 285 L N 10.292 131.598 121.223 0.138 0.000 2.294 285 L HA 0.719 5.058 4.340 -0.000 0.000 0.283 285 L C -2.455 174.398 176.870 -0.028 0.000 1.015 285 L CA -1.689 53.193 54.840 0.070 0.000 0.831 285 L CB 1.137 43.130 42.059 -0.110 0.000 1.217 285 L HN 0.258 nan 8.230 nan 0.000 0.420 286 P HA 0.200 nan 4.420 nan 0.000 0.277 286 P C -1.219 176.047 177.300 -0.057 0.000 1.240 286 P CA -0.595 62.491 63.100 -0.024 0.000 0.798 286 P CB 0.781 32.493 31.700 0.020 0.000 0.979 287 K N 2.762 123.123 120.400 -0.064 0.000 2.336 287 K HA 0.086 4.406 4.320 -0.000 0.000 0.262 287 K C -1.888 174.667 176.600 -0.075 0.000 0.992 287 K CA -1.038 55.202 56.287 -0.078 0.000 0.927 287 K CB -1.083 31.378 32.500 -0.064 0.000 0.956 287 K HN 0.142 nan 8.250 nan 0.000 0.495 288 P HA -0.298 nan 4.420 nan 0.000 0.221 288 P C 0.480 177.729 177.300 -0.085 0.000 1.160 288 P CA 1.962 64.999 63.100 -0.106 0.000 0.933 288 P CB 0.076 31.700 31.700 -0.126 0.000 0.793 289 E N -0.293 119.865 120.200 -0.069 0.000 2.006 289 E HA -0.002 4.348 4.350 -0.000 0.000 0.192 289 E C 1.256 177.836 176.600 -0.034 0.000 0.993 289 E CA 1.257 57.626 56.400 -0.052 0.000 0.808 289 E CB -1.578 28.096 29.700 -0.044 0.000 0.764 289 E HN 0.174 nan 8.360 nan 0.000 0.449 290 K N 1.581 121.966 120.400 -0.025 0.000 2.561 290 K HA 0.081 4.401 4.320 -0.000 0.000 0.280 290 K C 0.404 177.003 176.600 -0.001 0.000 0.975 290 K CA 0.642 56.924 56.287 -0.008 0.000 1.024 290 K CB -0.103 32.396 32.500 -0.002 0.000 0.883 290 K HN 0.187 nan 8.250 nan 0.000 0.496 291 S N 1.213 116.920 115.700 0.012 0.000 2.562 291 S HA 0.323 4.793 4.470 -0.000 0.000 0.275 291 S C 1.093 175.718 174.600 0.041 0.000 1.281 291 S CA -0.486 57.727 58.200 0.020 0.000 1.045 291 S CB 0.841 64.053 63.200 0.019 0.000 0.962 291 S HN 0.748 nan 8.310 nan 0.000 0.503 292 L N 5.373 126.626 121.223 0.050 0.000 2.201 292 L HA 0.180 4.520 4.340 -0.000 0.000 0.212 292 L C 2.436 179.360 176.870 0.089 0.000 1.105 292 L CA 2.173 57.060 54.840 0.079 0.000 0.775 292 L CB -1.261 40.848 42.059 0.083 0.000 0.913 292 L HN 0.914 nan 8.230 nan 0.000 0.440 293 A N -0.031 122.827 122.820 0.064 0.000 1.892 293 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 293 A C 2.596 180.217 177.584 0.062 0.000 1.188 293 A CA 2.840 54.911 52.037 0.055 0.000 0.631 293 A CB -1.018 17.999 19.000 0.028 0.000 0.822 293 A HN 0.429 nan 8.150 nan 0.000 0.447 294 K N -0.654 119.781 120.400 0.058 0.000 2.009 294 K HA -0.042 4.278 4.320 -0.000 0.000 0.210 294 K C 2.081 178.736 176.600 0.092 0.000 1.049 294 K CA 1.863 58.187 56.287 0.061 0.000 0.929 294 K CB -1.705 30.827 32.500 0.053 0.000 0.714 294 K HN 0.399 nan 8.250 nan 0.000 0.440 295 V N 1.974 121.960 119.914 0.119 0.000 2.282 295 V HA -0.355 3.765 4.120 -0.000 0.000 0.249 295 V C 2.504 178.708 176.094 0.182 0.000 1.057 295 V CA 2.557 64.965 62.300 0.180 0.000 1.032 295 V CB -0.764 31.178 31.823 0.199 0.000 0.645 295 V HN 0.693 nan 8.190 nan 0.000 0.447 296 E N 0.413 120.715 120.200 0.170 0.000 2.085 296 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 296 E C 2.486 179.172 176.600 0.144 0.000 0.994 296 E CA 1.836 58.355 56.400 0.198 0.000 0.801 296 E CB -0.309 29.528 29.700 0.229 0.000 0.743 296 E HN 0.728 nan 8.360 nan 0.000 0.453 297 K N 1.195 121.652 120.400 0.094 0.000 2.148 297 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 297 K C 1.889 178.515 176.600 0.044 0.000 1.050 297 K CA 1.467 57.786 56.287 0.054 0.000 0.942 297 K CB -0.735 31.785 32.500 0.032 0.000 0.724 297 K HN 0.040 nan 8.250 nan 0.000 0.446 298 E N -0.527 119.709 120.200 0.060 0.000 2.347 298 E HA 0.073 4.423 4.350 -0.000 0.000 0.196 298 E C 0.641 177.234 176.600 -0.012 0.000 1.008 298 E CA 0.111 56.532 56.400 0.035 0.000 0.852 298 E CB -0.515 29.232 29.700 0.078 0.000 0.783 298 E HN 0.510 nan 8.360 nan 0.000 0.505 299 L N 2.729 123.966 121.223 0.022 0.000 2.562 299 L HA 0.167 4.506 4.340 -0.000 0.000 0.271 299 L C 0.325 177.164 176.870 -0.052 0.000 1.167 299 L CA 0.809 55.637 54.840 -0.019 0.000 0.917 299 L CB -0.027 42.086 42.059 0.089 0.000 1.187 299 L HN 0.209 nan 8.230 nan 0.000 0.482 300 T N 1.803 116.275 114.554 -0.136 0.000 2.896 300 T HA 0.553 4.903 4.350 -0.000 0.000 0.297 300 T C -2.143 172.461 174.700 -0.160 0.000 1.108 300 T CA -1.681 60.346 62.100 -0.120 0.000 1.004 300 T CB 1.799 70.593 68.868 -0.123 0.000 1.159 300 T HN 0.258 nan 8.240 nan 0.000 0.499 301 P HA -0.148 nan 4.420 nan 0.000 0.216 301 P C 1.607 178.801 177.300 -0.176 0.000 1.153 301 P CA 1.202 64.215 63.100 -0.146 0.000 0.858 301 P CB 0.124 31.751 31.700 -0.122 0.000 0.789 302 E N -0.426 119.679 120.200 -0.159 0.000 2.150 302 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 302 E C 1.987 178.447 176.600 -0.234 0.000 0.985 302 E CA 1.114 57.423 56.400 -0.152 0.000 0.814 302 E CB -1.440 28.197 29.700 -0.106 0.000 0.752 302 E HN 0.118 nan 8.360 nan 0.000 0.466 303 V N 1.615 121.327 119.914 -0.337 0.000 2.358 303 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 303 V C 2.500 178.100 176.094 -0.823 0.000 1.047 303 V CA 1.497 63.435 62.300 -0.603 0.000 1.035 303 V CB -0.612 30.790 31.823 -0.703 0.000 0.658 303 V HN 0.142 nan 8.190 nan 0.000 0.452 304 L N 0.133 121.004 121.223 -0.586 0.000 2.046 304 L HA -0.195 4.144 4.340 -0.000 0.000 0.208 304 L C 2.470 179.205 176.870 -0.225 0.000 1.077 304 L CA 2.236 56.827 54.840 -0.415 0.000 0.747 304 L CB -0.779 41.071 42.059 -0.349 0.000 0.896 304 L HN 0.384 nan 8.230 nan 0.000 0.432 305 Q N -0.052 119.629 119.800 -0.197 0.000 2.050 305 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 305 Q C 2.211 178.189 176.000 -0.036 0.000 0.980 305 Q CA 2.564 58.315 55.803 -0.086 0.000 0.840 305 Q CB -0.436 28.268 28.738 -0.057 0.000 0.898 305 Q HN 0.622 nan 8.270 nan 0.000 0.424 306 E N -0.248 119.900 120.200 -0.087 0.000 2.058 306 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 306 E C 1.634 178.306 176.600 0.120 0.000 0.997 306 E CA 1.666 58.058 56.400 -0.013 0.000 0.801 306 E CB -1.522 28.137 29.700 -0.068 0.000 0.746 306 E HN 0.617 nan 8.360 nan 0.000 0.450 307 W N 0.405 121.676 121.300 -0.049 0.000 2.335 307 W HA -0.038 4.622 4.660 -0.000 0.000 0.311 307 W C 2.402 178.883 176.519 -0.064 0.000 1.213 307 W CA 1.024 58.333 57.345 -0.061 0.000 1.274 307 W CB -1.308 28.109 29.460 -0.073 0.000 1.148 307 W HN 0.274 nan 8.180 nan 0.000 0.498 308 L N -0.104 121.218 121.223 0.165 0.000 2.012 308 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 308 L C 2.202 179.108 176.870 0.059 0.000 1.073 308 L CA 1.631 56.514 54.840 0.072 0.000 0.748 308 L CB -0.962 41.110 42.059 0.022 0.000 0.891 308 L HN -0.100 nan 8.230 nan 0.000 0.431 309 D N 0.025 120.461 120.400 0.061 0.000 2.117 309 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 309 D C 2.029 178.356 176.300 0.045 0.000 0.987 309 D CA 1.111 55.139 54.000 0.047 0.000 0.829 309 D CB -0.193 40.632 40.800 0.042 0.000 0.961 309 D HN 0.395 nan 8.370 nan 0.000 0.460 310 E N 0.316 120.554 120.200 0.063 0.000 2.273 310 E HA -0.103 4.247 4.350 -0.000 0.000 0.198 310 E C 0.590 177.205 176.600 0.026 0.000 1.002 310 E CA 0.014 56.444 56.400 0.050 0.000 0.828 310 E CB -0.024 29.721 29.700 0.075 0.000 0.747 310 E HN 0.318 nan 8.360 nan 0.000 0.491 311 L N 1.784 123.019 121.223 0.021 0.000 2.543 311 L HA -0.061 4.279 4.340 -0.000 0.000 0.285 311 L C 0.371 177.254 176.870 0.022 0.000 1.236 311 L CA 1.000 55.845 54.840 0.008 0.000 0.871 311 L CB 0.120 42.185 42.059 0.011 0.000 1.121 311 L HN 0.066 nan 8.230 nan 0.000 0.501 312 E N 2.279 122.500 120.200 0.036 0.000 2.290 312 E HA 0.154 4.504 4.350 -0.000 0.000 0.274 312 E C -1.056 175.576 176.600 0.054 0.000 0.889 312 E CA -0.721 55.703 56.400 0.040 0.000 0.760 312 E CB 2.280 32.004 29.700 0.040 0.000 1.206 312 E HN 0.515 nan 8.360 nan 0.000 0.419 313 E N 3.796 124.012 120.200 0.027 0.000 2.481 313 E HA 0.064 4.414 4.350 -0.000 0.000 0.263 313 E C -0.860 175.749 176.600 0.015 0.000 0.992 313 E CA 0.625 57.031 56.400 0.011 0.000 0.938 313 E CB 0.658 30.342 29.700 -0.027 0.000 0.933 313 E HN 0.400 nan 8.360 nan 0.000 0.453 314 M N 4.644 124.251 119.600 0.011 0.000 2.520 314 M HA 0.236 4.716 4.480 -0.000 0.000 0.280 314 M C -1.649 174.625 176.300 -0.042 0.000 1.232 314 M CA -0.861 54.434 55.300 -0.010 0.000 0.892 314 M CB 2.002 34.608 32.600 0.010 0.000 1.728 314 M HN 0.513 nan 8.290 nan 0.000 0.475 315 M N 6.238 125.801 119.600 -0.061 0.000 2.135 315 M HA 0.442 4.922 4.480 -0.000 0.000 0.345 315 M C -1.518 174.742 176.300 -0.067 0.000 1.340 315 M CA -0.260 55.001 55.300 -0.065 0.000 1.162 315 M CB -0.538 32.025 32.600 -0.062 0.000 1.570 315 M HN 0.724 nan 8.290 nan 0.000 0.454 316 L N 2.993 124.196 121.223 -0.033 0.000 2.322 316 L HA 0.774 5.114 4.340 -0.000 0.000 0.252 316 L C -1.195 175.646 176.870 -0.047 0.000 1.055 316 L CA -1.043 53.750 54.840 -0.078 0.000 0.849 316 L CB 1.958 43.899 42.059 -0.196 0.000 1.446 316 L HN 0.587 nan 8.230 nan 0.000 0.416 317 c N 1.785 120.336 118.600 -0.083 0.000 2.295 317 c HA 0.843 5.413 4.570 -0.000 0.000 0.331 317 c C -0.152 173.856 174.090 -0.138 0.000 1.280 317 c CA -0.146 56.120 56.329 -0.106 0.000 1.746 317 c CB 0.441 42.951 42.510 -0.000 0.000 2.328 317 c HN 0.575 nan 8.230 nan 0.000 0.521 318 V N 7.060 126.828 119.914 -0.244 0.000 2.525 318 V HA 0.438 4.558 4.120 -0.000 0.000 0.299 318 V C -0.441 175.735 176.094 0.137 0.000 1.034 318 V CA -0.398 61.846 62.300 -0.093 0.000 0.863 318 V CB 1.419 33.050 31.823 -0.320 0.000 0.999 318 V HN 0.907 nan 8.190 nan 0.000 0.423 319 H N 5.532 124.670 119.070 0.114 0.000 2.541 319 H HA 0.644 5.200 4.556 -0.000 0.000 0.316 319 H C -0.404 175.005 175.328 0.135 0.000 1.043 319 H CA -0.483 55.660 56.048 0.158 0.000 1.232 319 H CB 1.721 31.588 29.762 0.176 0.000 1.406 319 H HN 0.544 nan 8.280 nan 0.000 0.469 320 M N 6.243 125.941 119.600 0.163 0.000 2.446 320 M HA 0.410 4.890 4.480 -0.000 0.000 0.294 320 M C -3.028 173.303 176.300 0.051 0.000 1.158 320 M CA -1.860 53.487 55.300 0.079 0.000 0.899 320 M CB 3.254 35.838 32.600 -0.027 0.000 1.687 320 M HN 0.317 nan 8.290 nan 0.000 0.455 321 P HA 0.410 nan 4.420 nan 0.000 0.287 321 P C -1.482 175.984 177.300 0.277 0.000 1.279 321 P CA -0.525 62.689 63.100 0.190 0.000 0.867 321 P CB 1.328 33.164 31.700 0.228 0.000 1.127 322 R N 1.256 121.847 120.500 0.150 0.000 2.694 322 R HA 0.511 4.851 4.340 -0.000 0.000 0.268 322 R C 0.056 176.517 176.300 0.269 0.000 1.061 322 R CA 0.447 56.619 56.100 0.118 0.000 1.133 322 R CB -0.069 30.253 30.300 0.037 0.000 1.020 322 R HN 0.603 nan 8.270 nan 0.000 0.475 323 F N -2.128 117.845 119.950 0.039 0.000 2.799 323 F HA 0.446 4.973 4.527 -0.000 0.000 0.316 323 F C -1.634 174.174 175.800 0.013 0.000 1.155 323 F CA -1.338 56.668 58.000 0.009 0.000 0.916 323 F CB 1.440 40.451 39.000 0.017 0.000 1.294 323 F HN 0.361 nan 8.300 nan 0.000 0.447 324 R N 3.315 123.928 120.500 0.189 0.000 2.518 324 R HA 0.712 5.052 4.340 -0.000 0.000 0.296 324 R C -1.761 174.618 176.300 0.131 0.000 1.080 324 R CA -0.674 55.462 56.100 0.061 0.000 0.922 324 R CB 1.541 31.840 30.300 -0.001 0.000 1.184 324 R HN 0.886 nan 8.270 nan 0.000 0.445 325 I N -0.094 120.540 120.570 0.106 0.000 2.648 325 I HA 0.724 4.894 4.170 -0.000 0.000 0.304 325 I C -0.721 175.350 176.117 -0.075 0.000 1.009 325 I CA -0.698 60.645 61.300 0.072 0.000 1.114 325 I CB 2.113 40.222 38.000 0.181 0.000 1.293 325 I HN 0.739 nan 8.210 nan 0.000 0.449 326 E N 2.951 123.207 120.200 0.092 0.000 2.403 326 E HA 0.325 4.675 4.350 -0.000 0.000 0.280 326 E C -2.266 174.501 176.600 0.278 0.000 1.101 326 E CA -0.634 55.873 56.400 0.178 0.000 0.856 326 E CB 2.474 32.260 29.700 0.143 0.000 1.303 326 E HN 0.870 nan 8.360 nan 0.000 0.441 327 D N 0.786 121.408 120.400 0.371 0.000 2.711 327 D HA 0.259 4.899 4.640 -0.000 0.000 0.204 327 D C -1.237 175.284 176.300 0.369 0.000 1.257 327 D CA -0.301 53.884 54.000 0.308 0.000 0.808 327 D CB 1.557 42.541 40.800 0.305 0.000 1.780 327 D HN 0.566 nan 8.370 nan 0.000 0.537 328 G N 2.606 111.525 108.800 0.199 0.000 2.356 328 G HA2 0.456 4.415 3.960 -0.000 0.000 0.300 328 G HA3 0.456 4.415 3.960 -0.000 0.000 0.300 328 G C -0.551 174.471 174.900 0.204 0.000 1.107 328 G CA -0.103 45.138 45.100 0.235 0.000 0.960 328 G HN 0.220 nan 8.290 nan 0.000 0.418 329 F N 1.216 121.394 119.950 0.380 0.000 2.399 329 F HA 0.463 4.990 4.527 -0.000 0.000 0.328 329 F C 0.975 176.966 175.800 0.319 0.000 1.084 329 F CA -0.229 57.988 58.000 0.361 0.000 1.053 329 F CB 2.394 41.653 39.000 0.432 0.000 1.209 329 F HN 0.305 nan 8.300 nan 0.000 0.502 330 S N 3.725 119.681 115.700 0.428 0.000 2.139 330 S HA 0.155 4.625 4.470 -0.000 0.000 0.183 330 S C 0.962 175.703 174.600 0.235 0.000 1.473 330 S CA -0.435 57.906 58.200 0.234 0.000 1.263 330 S CB 0.084 63.366 63.200 0.137 0.000 1.170 330 S HN 0.388 nan 8.310 nan 0.000 0.430 331 L N 1.955 123.381 121.223 0.338 0.000 2.123 331 L HA -0.215 4.125 4.340 -0.000 0.000 0.217 331 L C 2.492 179.423 176.870 0.101 0.000 1.081 331 L CA 1.742 56.768 54.840 0.309 0.000 0.772 331 L CB -1.124 41.154 42.059 0.365 0.000 0.890 331 L HN 0.505 nan 8.230 nan 0.000 0.437 332 K N -0.070 120.253 120.400 -0.128 0.000 2.049 332 K HA -0.307 4.013 4.320 -0.000 0.000 0.219 332 K C 2.066 178.398 176.600 -0.446 0.000 1.056 332 K CA 2.336 58.199 56.287 -0.707 0.000 0.946 332 K CB -0.126 31.946 32.500 -0.713 0.000 0.723 332 K HN 0.449 nan 8.250 nan 0.000 0.453 333 E N 0.071 120.161 120.200 -0.184 0.000 2.007 333 E HA -0.299 4.050 4.350 -0.000 0.000 0.203 333 E C 2.221 178.803 176.600 -0.030 0.000 1.020 333 E CA 1.919 58.271 56.400 -0.081 0.000 0.845 333 E CB -0.126 29.570 29.700 -0.006 0.000 0.779 333 E HN 0.262 nan 8.360 nan 0.000 0.466 334 Q N 0.423 120.245 119.800 0.038 0.000 2.029 334 Q HA -0.208 4.132 4.340 -0.000 0.000 0.209 334 Q C 2.271 178.212 176.000 -0.098 0.000 0.999 334 Q CA 1.979 57.766 55.803 -0.027 0.000 0.857 334 Q CB -0.376 28.389 28.738 0.045 0.000 0.926 334 Q HN 0.356 nan 8.270 nan 0.000 0.415 335 L N 0.194 121.452 121.223 0.058 0.000 1.971 335 L HA -0.314 4.026 4.340 -0.000 0.000 0.215 335 L C 2.711 179.614 176.870 0.055 0.000 1.072 335 L CA 2.195 57.073 54.840 0.064 0.000 0.758 335 L CB -1.073 41.073 42.059 0.145 0.000 0.889 335 L HN 0.519 nan 8.230 nan 0.000 0.433 336 Q N -0.607 119.277 119.800 0.140 0.000 2.135 336 Q HA -0.288 4.052 4.340 -0.000 0.000 0.204 336 Q C 1.705 177.734 176.000 0.049 0.000 0.981 336 Q CA 1.971 57.868 55.803 0.157 0.000 0.856 336 Q CB -0.639 28.206 28.738 0.179 0.000 0.902 336 Q HN 0.484 nan 8.270 nan 0.000 0.425 337 D N 0.632 121.033 120.400 0.002 0.000 2.265 337 D HA -0.111 4.529 4.640 -0.000 0.000 0.208 337 D C 1.581 177.879 176.300 -0.004 0.000 0.977 337 D CA 0.981 54.991 54.000 0.018 0.000 0.871 337 D CB 0.046 40.875 40.800 0.049 0.000 0.925 337 D HN 0.401 nan 8.370 nan 0.000 0.485 338 M N -1.444 118.082 119.600 -0.124 0.000 2.495 338 M HA 0.150 4.630 4.480 -0.000 0.000 0.237 338 M C 1.236 177.503 176.300 -0.055 0.000 1.131 338 M CA 0.665 55.881 55.300 -0.141 0.000 1.032 338 M CB 1.182 33.627 32.600 -0.258 0.000 1.513 338 M HN 0.130 nan 8.290 nan 0.000 0.488 339 G N 0.979 109.768 108.800 -0.017 0.000 2.183 339 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.168 339 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.168 339 G C -0.481 174.425 174.900 0.010 0.000 1.008 339 G CA -0.705 44.394 45.100 -0.001 0.000 0.677 339 G HN 0.260 nan 8.290 nan 0.000 0.498 340 L N 2.477 123.719 121.223 0.032 0.000 2.315 340 L HA 0.730 5.070 4.340 -0.000 0.000 0.278 340 L C 1.095 178.066 176.870 0.168 0.000 1.088 340 L CA -0.116 54.755 54.840 0.052 0.000 0.899 340 L CB 0.952 43.032 42.059 0.034 0.000 1.277 340 L HN -0.011 nan 8.230 nan 0.000 0.431 341 V N 2.701 122.677 119.914 0.103 0.000 2.695 341 V HA 0.008 4.128 4.120 -0.000 0.000 0.230 341 V C 1.496 177.650 176.094 0.101 0.000 1.110 341 V CA 0.807 63.192 62.300 0.141 0.000 1.159 341 V CB -0.265 31.611 31.823 0.088 0.000 0.875 341 V HN 0.607 nan 8.190 nan 0.000 0.502 342 D N 0.671 121.098 120.400 0.045 0.000 2.200 342 D HA -0.258 4.382 4.640 -0.000 0.000 0.192 342 D C 1.822 178.127 176.300 0.007 0.000 1.008 342 D CA 1.663 55.679 54.000 0.028 0.000 0.872 342 D CB -0.404 40.410 40.800 0.023 0.000 0.923 342 D HN 0.256 nan 8.370 nan 0.000 0.447 343 L N -0.581 120.591 121.223 -0.085 0.000 2.127 343 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 343 L C 1.443 178.229 176.870 -0.141 0.000 1.089 343 L CA 1.595 56.328 54.840 -0.179 0.000 0.757 343 L CB -0.381 41.449 42.059 -0.382 0.000 0.899 343 L HN -0.002 nan 8.230 nan 0.000 0.434 344 F N -1.875 118.166 119.950 0.152 0.000 2.776 344 F HA 0.270 4.797 4.527 -0.000 0.000 0.300 344 F C 1.419 177.282 175.800 0.106 0.000 1.116 344 F CA 0.014 58.115 58.000 0.168 0.000 1.375 344 F CB -0.537 38.536 39.000 0.121 0.000 1.109 344 F HN -0.016 nan 8.300 nan 0.000 0.585 345 S N 1.057 116.846 115.700 0.149 0.000 2.429 345 S HA 0.293 4.763 4.470 -0.000 0.000 0.302 345 S C -1.740 172.717 174.600 -0.239 0.000 1.115 345 S CA -1.634 56.541 58.200 -0.041 0.000 1.095 345 S CB 1.152 64.352 63.200 -0.001 0.000 0.987 345 S HN -0.167 nan 8.310 nan 0.000 0.474 346 P HA -0.096 nan 4.420 nan 0.000 0.218 346 P C 1.106 178.246 177.300 -0.266 0.000 1.148 346 P CA 0.997 63.597 63.100 -0.832 0.000 0.822 346 P CB 0.227 31.356 31.700 -0.952 0.000 0.784 347 E N -0.138 119.956 120.200 -0.177 0.000 2.051 347 E HA -0.073 4.277 4.350 -0.000 0.000 0.189 347 E C 1.793 178.370 176.600 -0.038 0.000 0.979 347 E CA 1.173 57.526 56.400 -0.079 0.000 0.803 347 E CB -0.398 29.267 29.700 -0.059 0.000 0.761 347 E HN 0.354 nan 8.360 nan 0.000 0.451 348 K N 1.328 121.709 120.400 -0.032 0.000 2.243 348 K HA 0.031 4.351 4.320 -0.000 0.000 0.201 348 K C 1.428 178.036 176.600 0.014 0.000 1.051 348 K CA 0.260 56.546 56.287 -0.002 0.000 0.970 348 K CB 0.094 32.598 32.500 0.007 0.000 0.755 348 K HN 0.036 nan 8.250 nan 0.000 0.465 349 S N 1.483 117.195 115.700 0.020 0.000 2.589 349 S HA -0.025 4.445 4.470 -0.000 0.000 0.256 349 S C 0.077 174.709 174.600 0.052 0.000 1.383 349 S CA -0.007 58.224 58.200 0.050 0.000 0.983 349 S CB 0.489 63.756 63.200 0.111 0.000 0.908 349 S HN 0.100 nan 8.310 nan 0.000 0.572 350 K N 0.309 120.743 120.400 0.058 0.000 2.633 350 K HA 0.373 4.693 4.320 -0.000 0.000 0.320 350 K C -2.033 174.599 176.600 0.053 0.000 1.312 350 K CA 0.009 56.328 56.287 0.053 0.000 1.081 350 K CB -0.111 32.415 32.500 0.043 0.000 1.406 350 K HN 0.504 nan 8.250 nan 0.000 0.519 351 L N 5.528 126.783 121.223 0.053 0.000 2.784 351 L HA 0.393 4.733 4.340 -0.000 0.000 0.241 351 L C -1.526 175.367 176.870 0.037 0.000 1.352 351 L CA -1.275 53.592 54.840 0.045 0.000 0.911 351 L CB 1.158 43.233 42.059 0.027 0.000 1.227 351 L HN 0.383 nan 8.230 nan 0.000 0.501 352 P HA -0.142 nan 4.420 nan 0.000 0.223 352 P C 1.434 178.757 177.300 0.038 0.000 1.144 352 P CA 1.112 64.231 63.100 0.033 0.000 0.783 352 P CB 0.427 32.144 31.700 0.029 0.000 0.771 353 G N -0.347 108.488 108.800 0.057 0.000 2.471 353 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.219 353 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.219 353 G C 1.310 176.255 174.900 0.076 0.000 1.125 353 G CA 0.370 45.530 45.100 0.100 0.000 0.775 353 G HN 0.229 nan 8.290 nan 0.000 0.548 354 I N -0.644 119.899 120.570 -0.046 0.000 2.729 354 I HA 0.221 4.391 4.170 -0.000 0.000 0.256 354 I C 0.236 176.355 176.117 0.003 0.000 1.115 354 I CA 0.562 61.735 61.300 -0.211 0.000 1.446 354 I CB 0.437 38.230 38.000 -0.345 0.000 1.176 354 I HN -0.152 nan 8.210 nan 0.000 0.446 355 V N 0.387 120.316 119.914 0.025 0.000 2.686 355 V HA 0.556 4.676 4.120 -0.000 0.000 0.306 355 V C 0.746 176.846 176.094 0.010 0.000 1.065 355 V CA -0.460 61.855 62.300 0.025 0.000 0.894 355 V CB 1.678 33.522 31.823 0.036 0.000 1.004 355 V HN 0.165 nan 8.190 nan 0.000 0.424 356 A N 2.771 125.589 122.820 -0.005 0.000 1.902 356 A HA 0.088 4.408 4.320 -0.000 0.000 0.217 356 A C 1.027 178.613 177.584 0.002 0.000 1.181 356 A CA 1.751 53.787 52.037 -0.001 0.000 0.623 356 A CB 0.036 19.030 19.000 -0.010 0.000 0.818 356 A HN 1.319 nan 8.150 nan 0.000 0.443 357 E N -2.720 117.476 120.200 -0.006 0.000 2.254 357 E HA 0.119 4.469 4.350 -0.000 0.000 0.191 357 E C 0.688 177.280 176.600 -0.013 0.000 1.178 357 E CA 0.838 57.239 56.400 0.002 0.000 0.442 357 E CB -1.320 28.385 29.700 0.008 0.000 0.798 357 E HN 0.976 nan 8.360 nan 0.000 0.456 358 G N 0.693 109.472 108.800 -0.035 0.000 2.480 358 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 358 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 358 G C 1.233 176.114 174.900 -0.032 0.000 1.200 358 G CA 1.075 46.141 45.100 -0.057 0.000 0.782 358 G HN 0.634 nan 8.290 nan 0.000 0.554 359 R N 0.090 120.582 120.500 -0.013 0.000 2.690 359 R HA 0.340 4.680 4.340 -0.000 0.000 0.419 359 R C -0.543 175.778 176.300 0.034 0.000 1.090 359 R CA 0.315 56.420 56.100 0.008 0.000 1.064 359 R CB -1.414 28.892 30.300 0.011 0.000 1.391 359 R HN 0.504 nan 8.270 nan 0.000 0.586 360 D N 0.576 120.996 120.400 0.034 0.000 10.186 360 D HA -0.166 4.474 4.640 -0.000 0.000 0.355 360 D C -1.258 175.095 176.300 0.088 0.000 3.006 360 D CA 1.705 55.736 54.000 0.052 0.000 2.406 360 D CB -0.458 40.373 40.800 0.051 0.000 1.188 360 D HN 0.662 nan 8.370 nan 0.000 1.028 361 D N 0.248 120.707 120.400 0.098 0.000 6.956 361 D HA -0.126 4.514 4.640 -0.000 0.000 0.144 361 D C 0.056 176.520 176.300 0.273 0.000 1.168 361 D CA 0.612 54.703 54.000 0.151 0.000 0.780 361 D CB -0.459 40.408 40.800 0.111 0.000 1.512 361 D HN 0.464 nan 8.370 nan 0.000 0.872 362 L N 3.038 124.390 121.223 0.215 0.000 2.282 362 L HA 0.558 4.898 4.340 -0.000 0.000 0.288 362 L C -0.949 176.069 176.870 0.246 0.000 1.033 362 L CA -0.993 53.949 54.840 0.169 0.000 0.807 362 L CB 0.606 42.715 42.059 0.083 0.000 1.209 362 L HN 0.591 nan 8.230 nan 0.000 0.423 363 Y N 1.909 122.231 120.300 0.037 0.000 2.624 363 Y HA 0.455 5.005 4.550 -0.000 0.000 0.334 363 Y C -1.107 174.820 175.900 0.046 0.000 1.155 363 Y CA -1.429 56.691 58.100 0.032 0.000 1.046 363 Y CB 0.765 39.254 38.460 0.049 0.000 1.316 363 Y HN 0.056 nan 8.280 nan 0.000 0.457 364 V N 3.336 123.300 119.914 0.083 0.000 2.381 364 V HA 0.051 4.170 4.120 -0.000 0.000 0.257 364 V C 0.816 177.029 176.094 0.199 0.000 1.057 364 V CA 0.774 63.111 62.300 0.063 0.000 1.013 364 V CB -0.101 31.785 31.823 0.105 0.000 1.069 364 V HN 1.024 nan 8.190 nan 0.000 0.484 365 S N 3.018 118.692 115.700 -0.043 0.000 2.359 365 S HA -0.122 4.348 4.470 -0.000 0.000 0.222 365 S C 0.734 175.393 174.600 0.099 0.000 1.038 365 S CA 1.517 59.741 58.200 0.040 0.000 1.051 365 S CB -0.047 63.085 63.200 -0.114 0.000 0.944 365 S HN 0.904 nan 8.310 nan 0.000 0.433 366 D N -1.643 118.758 120.400 0.000 0.000 2.622 366 D HA 0.619 5.259 4.640 -0.000 0.000 0.255 366 D C -1.789 174.337 176.300 -0.291 0.000 1.246 366 D CA -0.359 53.529 54.000 -0.188 0.000 0.795 366 D CB 2.021 42.592 40.800 -0.382 0.000 1.369 366 D HN 0.188 nan 8.370 nan 0.000 0.425 367 A N 1.588 124.170 122.820 -0.397 0.000 2.343 367 A HA 0.688 5.008 4.320 -0.000 0.000 0.308 367 A C -1.499 175.856 177.584 -0.382 0.000 1.092 367 A CA -0.539 51.368 52.037 -0.217 0.000 0.751 367 A CB 0.432 19.561 19.000 0.214 0.000 1.203 367 A HN 0.286 nan 8.150 nan 0.000 0.452 368 F N 1.371 121.454 119.950 0.223 0.000 2.444 368 F HA 0.527 5.054 4.527 -0.000 0.000 0.342 368 F C 0.374 176.367 175.800 0.322 0.000 1.121 368 F CA -0.188 57.963 58.000 0.251 0.000 0.997 368 F CB 1.714 40.819 39.000 0.175 0.000 1.130 368 F HN 0.773 nan 8.300 nan 0.000 0.454 369 H N 2.139 121.482 119.070 0.455 0.000 2.616 369 H HA 0.717 5.273 4.556 -0.000 0.000 0.353 369 H C -1.263 174.328 175.328 0.438 0.000 1.170 369 H CA -1.043 55.260 56.048 0.425 0.000 1.212 369 H CB 1.713 31.739 29.762 0.441 0.000 1.653 369 H HN 0.532 nan 8.280 nan 0.000 0.537 370 K N 2.608 122.831 120.400 -0.296 0.000 2.610 370 K HA 0.646 4.966 4.320 -0.000 0.000 0.274 370 K C -2.220 174.380 176.600 -0.000 0.000 1.049 370 K CA -0.019 56.275 56.287 0.013 0.000 0.945 370 K CB 0.838 33.422 32.500 0.139 0.000 1.313 370 K HN 0.749 nan 8.250 nan 0.000 0.463 371 A N 3.173 126.142 122.820 0.248 0.000 2.556 371 A HA 0.942 5.262 4.320 -0.000 0.000 0.294 371 A C -1.642 176.227 177.584 0.475 0.000 1.091 371 A CA -0.696 51.589 52.037 0.413 0.000 0.704 371 A CB 0.775 20.159 19.000 0.639 0.000 1.300 371 A HN 0.938 nan 8.150 nan 0.000 0.406 372 F N -0.562 119.387 119.950 -0.002 0.000 2.703 372 F HA 0.788 5.315 4.527 -0.000 0.000 0.308 372 F C -2.046 173.307 175.800 -0.745 0.000 1.126 372 F CA -1.150 56.589 58.000 -0.436 0.000 0.959 372 F CB 1.213 40.111 39.000 -0.171 0.000 1.297 372 F HN 0.631 nan 8.300 nan 0.000 0.441 373 L N 2.192 122.881 121.223 -0.890 0.000 2.436 373 L HA 0.643 4.982 4.340 -0.000 0.000 0.268 373 L C -1.434 175.270 176.870 -0.277 0.000 0.974 373 L CA -0.235 54.212 54.840 -0.654 0.000 0.826 373 L CB 2.181 43.818 42.059 -0.704 0.000 1.291 373 L HN 0.895 nan 8.230 nan 0.000 0.406 374 E N 4.113 124.198 120.200 -0.191 0.000 2.373 374 E HA 0.524 4.874 4.350 -0.000 0.000 0.251 374 E C -1.832 174.616 176.600 -0.253 0.000 0.923 374 E CA -0.529 55.759 56.400 -0.188 0.000 0.798 374 E CB 1.499 31.200 29.700 0.001 0.000 1.303 374 E HN 0.496 nan 8.360 nan 0.000 0.412 375 V N 4.864 124.486 119.914 -0.486 0.000 2.617 375 V HA 0.545 4.665 4.120 -0.000 0.000 0.298 375 V C 0.271 176.290 176.094 -0.124 0.000 1.048 375 V CA -0.372 61.757 62.300 -0.285 0.000 0.964 375 V CB 1.392 33.005 31.823 -0.351 0.000 1.004 375 V HN 0.856 nan 8.190 nan 0.000 0.466 376 N N 1.289 120.036 118.700 0.079 0.000 3.449 376 N HA 0.290 5.030 4.740 -0.000 0.000 0.312 376 N C 0.117 175.794 175.510 0.278 0.000 1.582 376 N CA -0.787 52.319 53.050 0.094 0.000 0.850 376 N CB 1.524 40.038 38.487 0.044 0.000 1.822 376 N HN 0.266 nan 8.380 nan 0.000 0.577 377 E N 0.364 120.682 120.200 0.198 0.000 2.097 377 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 377 E C 1.178 178.131 176.600 0.587 0.000 1.000 377 E CA 1.748 58.369 56.400 0.368 0.000 0.804 377 E CB -0.025 29.827 29.700 0.252 0.000 0.740 377 E HN 0.424 nan 8.360 nan 0.000 0.454 378 E N -0.648 119.765 120.200 0.356 0.000 2.076 378 E HA 0.093 4.443 4.350 -0.000 0.000 0.190 378 E C 1.156 177.830 176.600 0.123 0.000 0.979 378 E CA 1.190 57.748 56.400 0.265 0.000 0.807 378 E CB 0.188 29.956 29.700 0.113 0.000 0.761 378 E HN 0.261 nan 8.360 nan 0.000 0.454 379 G N 0.072 108.779 108.800 -0.155 0.000 2.455 379 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.223 379 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.223 379 G C -1.253 173.390 174.900 -0.428 0.000 1.226 379 G CA -0.079 44.574 45.100 -0.745 0.000 0.948 379 G HN 0.073 nan 8.290 nan 0.000 0.478 380 S N 0.016 115.518 115.700 -0.331 0.000 2.410 380 S HA 0.500 4.970 4.470 -0.000 0.000 0.304 380 S C 0.382 174.811 174.600 -0.285 0.000 1.095 380 S CA 1.224 59.285 58.200 -0.231 0.000 1.089 380 S CB 0.696 63.825 63.200 -0.118 0.000 0.968 380 S HN 1.804 nan 8.310 nan 0.000 0.480 381 E N 2.138 122.241 120.200 -0.162 0.000 2.468 381 E HA -0.170 4.180 4.350 -0.000 0.000 0.264 381 E C -0.225 176.311 176.600 -0.107 0.000 1.069 381 E CA 0.938 57.282 56.400 -0.093 0.000 0.768 381 E CB -1.593 28.020 29.700 -0.146 0.000 1.332 381 E HN 0.881 nan 8.360 nan 0.000 0.398 382 A N 0.199 122.963 122.820 -0.093 0.000 2.869 382 A HA 0.891 5.211 4.320 -0.000 0.000 0.244 382 A C 0.350 177.921 177.584 -0.021 0.000 1.374 382 A CA -0.180 51.817 52.037 -0.067 0.000 0.913 382 A CB 0.544 19.503 19.000 -0.069 0.000 1.589 382 A HN 0.931 nan 8.150 nan 0.000 0.485 383 A N -0.041 122.779 122.820 -0.001 0.000 2.444 383 A HA 0.531 4.850 4.320 -0.000 0.000 0.287 383 A C 0.648 178.246 177.584 0.025 0.000 1.195 383 A CA 0.365 52.411 52.037 0.014 0.000 0.858 383 A CB -1.327 17.687 19.000 0.023 0.000 1.117 383 A HN 1.816 nan 8.150 nan 0.000 0.521 384 A N 2.965 125.794 122.820 0.015 0.000 2.386 384 A HA 0.560 4.880 4.320 -0.000 0.000 0.248 384 A C 0.842 178.440 177.584 0.023 0.000 1.082 384 A CA 0.457 52.504 52.037 0.017 0.000 0.789 384 A CB 0.297 19.299 19.000 0.004 0.000 1.025 384 A HN 1.215 nan 8.150 nan 0.000 0.490 385 S N -0.630 115.086 115.700 0.028 0.000 2.767 385 S HA 0.667 5.137 4.470 -0.000 0.000 0.300 385 S C 0.614 175.226 174.600 0.020 0.000 1.123 385 S CA 0.356 58.573 58.200 0.029 0.000 0.992 385 S CB 1.828 65.053 63.200 0.042 0.000 1.138 385 S HN 0.968 nan 8.310 nan 0.000 0.550 386 T N 0.104 114.670 114.554 0.019 0.000 3.073 386 T HA 0.400 4.750 4.350 -0.000 0.000 0.264 386 T C 0.297 175.005 174.700 0.014 0.000 0.893 386 T CA 0.509 62.617 62.100 0.013 0.000 0.863 386 T CB -0.487 68.387 68.868 0.009 0.000 1.247 386 T HN 1.017 nan 8.240 nan 0.000 0.546 387 A N 2.400 125.231 122.820 0.018 0.000 2.589 387 A HA 0.268 4.588 4.320 -0.000 0.000 0.259 387 A C 0.596 178.188 177.584 0.014 0.000 1.000 387 A CA 0.230 52.277 52.037 0.017 0.000 0.847 387 A CB -0.570 18.443 19.000 0.023 0.000 0.885 387 A HN 0.469 nan 8.150 nan 0.000 0.508 388 V N 4.769 124.689 119.914 0.010 0.000 2.611 388 V HA -0.101 4.019 4.120 -0.000 0.000 0.296 388 V C 0.873 176.972 176.094 0.008 0.000 1.006 388 V CA 0.255 62.560 62.300 0.008 0.000 1.194 388 V CB -0.471 31.356 31.823 0.006 0.000 0.871 388 V HN 0.554 nan 8.190 nan 0.000 0.470 389 V N 8.012 127.931 119.914 0.008 0.000 2.450 389 V HA 0.078 4.198 4.120 -0.000 0.000 0.281 389 V C 0.714 176.810 176.094 0.003 0.000 1.019 389 V CA 0.150 62.454 62.300 0.007 0.000 1.062 389 V CB -0.003 31.824 31.823 0.006 0.000 0.979 389 V HN 0.585 nan 8.190 nan 0.000 0.477 390 I N 3.847 124.418 120.570 0.001 0.000 3.246 390 I HA 0.328 4.498 4.170 -0.000 0.000 0.280 390 I C 0.886 177.000 176.117 -0.006 0.000 1.239 390 I CA 0.279 61.577 61.300 -0.003 0.000 1.336 390 I CB 0.442 38.438 38.000 -0.007 0.000 1.383 390 I HN 0.696 nan 8.210 nan 0.000 0.617 391 A N 2.180 124.997 122.820 -0.006 0.000 2.309 391 A HA 0.779 5.099 4.320 -0.000 0.000 0.317 391 A C 0.161 177.740 177.584 -0.008 0.000 1.134 391 A CA -0.055 51.980 52.037 -0.004 0.000 0.866 391 A CB 0.757 19.757 19.000 0.001 0.000 1.329 391 A HN 1.148 nan 8.150 nan 0.000 0.477 392 G N -0.688 108.110 108.800 -0.003 0.000 2.954 392 G HA2 0.107 4.066 3.960 -0.000 0.000 0.672 392 G HA3 0.107 4.066 3.960 -0.000 0.000 0.672 392 G C -0.230 174.659 174.900 -0.019 0.000 1.598 392 G CA 0.384 45.483 45.100 -0.002 0.000 1.063 392 G HN 1.615 nan 8.290 nan 0.000 0.584 393 R N 0.653 121.146 120.500 -0.011 0.000 2.659 393 R HA 0.508 4.848 4.340 -0.000 0.000 0.290 393 R C 0.212 176.512 176.300 -0.001 0.000 1.253 393 R CA -0.126 55.955 56.100 -0.033 0.000 1.010 393 R CB 0.518 30.786 30.300 -0.054 0.000 1.236 393 R HN 0.778 nan 8.270 nan 0.000 0.413 394 S N 3.747 119.437 115.700 -0.017 0.000 2.576 394 S HA 0.176 4.646 4.470 -0.000 0.000 0.272 394 S C 0.475 175.085 174.600 0.017 0.000 1.352 394 S CA -0.326 57.874 58.200 0.000 0.000 1.021 394 S CB 0.434 63.627 63.200 -0.011 0.000 0.887 394 S HN 0.456 nan 8.310 nan 0.000 0.542 395 L N 2.534 123.776 121.223 0.031 0.000 2.416 395 L HA 0.139 4.479 4.340 -0.000 0.000 0.272 395 L C 1.119 178.014 176.870 0.042 0.000 1.161 395 L CA -0.113 54.755 54.840 0.047 0.000 0.845 395 L CB 0.099 42.179 42.059 0.034 0.000 1.119 395 L HN 0.694 nan 8.230 nan 0.000 0.464 396 N N 5.202 123.944 118.700 0.071 0.000 2.452 396 N HA 0.165 4.905 4.740 -0.000 0.000 0.266 396 N C -2.166 173.375 175.510 0.053 0.000 1.175 396 N CA -1.202 51.895 53.050 0.078 0.000 0.945 396 N CB 0.987 39.568 38.487 0.158 0.000 1.063 396 N HN 0.354 nan 8.380 nan 0.000 0.472 397 P HA 0.000 nan 4.420 nan 0.000 0.302 397 P C -0.095 177.220 177.300 0.026 0.000 1.301 397 P CA 0.033 63.149 63.100 0.026 0.000 0.745 397 P CB 0.352 32.063 31.700 0.020 0.000 1.331 398 N N -1.860 116.849 118.700 0.016 0.000 2.784 398 N HA -0.293 4.447 4.740 -0.000 0.000 0.234 398 N C 0.211 175.725 175.510 0.007 0.000 0.980 398 N CA 1.759 54.816 53.050 0.011 0.000 1.080 398 N CB -1.156 37.338 38.487 0.012 0.000 1.096 398 N HN 0.774 nan 8.380 nan 0.000 0.613 399 R N -1.730 118.777 120.500 0.012 0.000 2.634 399 R HA 0.561 4.901 4.340 -0.000 0.000 0.263 399 R C -0.394 175.906 176.300 0.001 0.000 1.060 399 R CA -0.730 55.370 56.100 -0.000 0.000 0.898 399 R CB 0.953 31.249 30.300 -0.006 0.000 1.253 399 R HN -0.172 nan 8.270 nan 0.000 0.461 400 V N 0.588 120.490 119.914 -0.020 0.000 3.426 400 V HA 0.264 4.384 4.120 -0.000 0.000 0.136 400 V C 0.236 176.300 176.094 -0.050 0.000 0.973 400 V CA 0.347 62.627 62.300 -0.032 0.000 1.351 400 V CB 0.222 32.020 31.823 -0.043 0.000 0.996 400 V HN 0.891 nan 8.190 nan 0.000 0.373 401 c N -1.146 117.403 118.600 -0.085 0.000 3.213 401 c HA 0.274 4.844 4.570 -0.000 0.000 0.424 401 c C -1.051 172.978 174.090 -0.101 0.000 0.995 401 c CA -1.467 54.793 56.329 -0.116 0.000 1.109 401 c CB 0.052 42.423 42.510 -0.231 0.000 1.526 401 c HN 0.566 nan 8.230 nan 0.000 0.616 402 F N 5.010 124.846 119.950 -0.190 0.000 2.506 402 F HA 0.548 5.075 4.527 -0.000 0.000 0.371 402 F C 0.122 175.844 175.800 -0.130 0.000 1.078 402 F CA 0.645 58.570 58.000 -0.125 0.000 1.195 402 F CB 0.326 39.265 39.000 -0.103 0.000 1.099 402 F HN 0.489 nan 8.300 nan 0.000 0.548 403 K N 5.962 126.113 120.400 -0.414 0.000 2.535 403 K HA 0.569 4.889 4.320 -0.000 0.000 0.253 403 K C -0.548 175.896 176.600 -0.260 0.000 0.953 403 K CA -0.700 55.472 56.287 -0.191 0.000 0.863 403 K CB 1.763 34.193 32.500 -0.117 0.000 1.111 403 K HN 0.595 nan 8.250 nan 0.000 0.431 404 A N 3.334 126.107 122.820 -0.079 0.000 3.118 404 A HA 0.044 4.364 4.320 -0.000 0.000 0.256 404 A C 0.067 177.820 177.584 0.282 0.000 1.667 404 A CA -0.471 51.561 52.037 -0.008 0.000 1.338 404 A CB -0.902 17.942 19.000 -0.260 0.000 1.127 404 A HN 0.774 nan 8.150 nan 0.000 0.634 405 N N 0.615 119.382 118.700 0.112 0.000 2.453 405 N HA 0.181 4.921 4.740 -0.000 0.000 0.270 405 N C -0.203 175.022 175.510 -0.475 0.000 1.195 405 N CA -0.455 52.611 53.050 0.026 0.000 0.902 405 N CB -0.134 38.435 38.487 0.137 0.000 1.186 405 N HN 0.671 nan 8.380 nan 0.000 0.510 406 R N -3.030 117.151 120.500 -0.532 0.000 2.687 406 R HA 0.458 4.798 4.340 -0.000 0.000 0.265 406 R C -3.380 172.853 176.300 -0.111 0.000 1.048 406 R CA -1.689 54.062 56.100 -0.581 0.000 0.884 406 R CB -0.134 30.039 30.300 -0.212 0.000 1.258 406 R HN -0.184 nan 8.270 nan 0.000 0.469 407 P HA -0.115 nan 4.420 nan 0.000 0.259 407 P C -1.206 176.164 177.300 0.115 0.000 1.155 407 P CA 0.683 63.831 63.100 0.081 0.000 0.759 407 P CB 0.008 31.743 31.700 0.058 0.000 0.753 408 F N 1.160 121.173 119.950 0.106 0.000 2.613 408 F HA 0.631 5.158 4.527 -0.000 0.000 0.314 408 F C -0.973 174.866 175.800 0.066 0.000 1.075 408 F CA -1.664 56.384 58.000 0.079 0.000 0.945 408 F CB 0.889 39.945 39.000 0.094 0.000 1.310 408 F HN -0.040 nan 8.300 nan 0.000 0.467 409 L N 1.937 123.362 121.223 0.336 0.000 2.439 409 L HA 0.737 5.077 4.340 -0.000 0.000 0.259 409 L C -0.659 176.375 176.870 0.274 0.000 1.129 409 L CA -1.261 53.673 54.840 0.157 0.000 0.803 409 L CB 1.710 43.834 42.059 0.109 0.000 1.161 409 L HN 0.671 nan 8.230 nan 0.000 0.462 410 V N 1.965 121.894 119.914 0.024 0.000 2.711 410 V HA 0.476 4.596 4.120 -0.000 0.000 0.304 410 V C -1.483 174.602 176.094 -0.015 0.000 1.097 410 V CA -0.307 62.120 62.300 0.213 0.000 0.906 410 V CB 1.904 33.974 31.823 0.411 0.000 1.015 410 V HN 0.450 nan 8.190 nan 0.000 0.427 411 F N 6.521 126.605 119.950 0.224 0.000 2.529 411 F HA 0.636 5.163 4.527 -0.000 0.000 0.320 411 F C -0.062 175.870 175.800 0.220 0.000 1.118 411 F CA -0.833 57.269 58.000 0.169 0.000 0.915 411 F CB 2.059 41.118 39.000 0.099 0.000 1.161 411 F HN 0.172 nan 8.300 nan 0.000 0.445 412 I N 4.548 125.363 120.570 0.408 0.000 2.337 412 I HA 0.333 4.503 4.170 -0.000 0.000 0.285 412 I C -0.144 176.067 176.117 0.156 0.000 1.041 412 I CA -0.459 61.030 61.300 0.314 0.000 1.199 412 I CB 0.977 39.212 38.000 0.391 0.000 1.370 412 I HN 0.678 nan 8.210 nan 0.000 0.470 413 R N 4.134 124.710 120.500 0.127 0.000 2.732 413 R HA 0.583 4.923 4.340 -0.000 0.000 0.278 413 R C -0.366 175.936 176.300 0.004 0.000 0.976 413 R CA -0.767 55.359 56.100 0.045 0.000 0.963 413 R CB 2.174 32.501 30.300 0.046 0.000 1.150 413 R HN 0.244 nan 8.270 nan 0.000 0.478 414 E N 3.040 123.220 120.200 -0.033 0.000 2.046 414 E HA 0.103 4.453 4.350 -0.000 0.000 0.279 414 E C 0.608 177.205 176.600 -0.005 0.000 0.989 414 E CA -0.408 55.971 56.400 -0.035 0.000 0.798 414 E CB 1.597 31.249 29.700 -0.080 0.000 1.086 414 E HN 0.607 nan 8.360 nan 0.000 0.399 415 V N 6.777 126.705 119.914 0.024 0.000 2.270 415 V HA -0.151 3.969 4.120 -0.000 0.000 0.245 415 V C -0.892 175.223 176.094 0.035 0.000 1.043 415 V CA 1.507 63.827 62.300 0.034 0.000 1.014 415 V CB -1.362 30.490 31.823 0.048 0.000 0.645 415 V HN 0.511 nan 8.190 nan 0.000 0.447 416 P HA -0.150 nan 4.420 nan 0.000 0.215 416 P C 1.657 178.978 177.300 0.034 0.000 1.157 416 P CA 1.545 64.659 63.100 0.024 0.000 0.874 416 P CB -0.099 31.607 31.700 0.011 0.000 0.790 417 L N -2.502 118.728 121.223 0.012 0.000 2.591 417 L HA 0.135 4.475 4.340 -0.000 0.000 0.228 417 L C 0.499 177.376 176.870 0.010 0.000 1.133 417 L CA 0.026 54.869 54.840 0.004 0.000 0.880 417 L CB -1.220 40.810 42.059 -0.049 0.000 1.033 417 L HN 0.030 nan 8.230 nan 0.000 0.450 418 N N 0.962 119.678 118.700 0.027 0.000 2.705 418 N HA -0.169 4.571 4.740 -0.000 0.000 0.255 418 N C -0.694 174.773 175.510 -0.072 0.000 1.008 418 N CA 0.896 53.949 53.050 0.006 0.000 0.742 418 N CB -0.823 37.712 38.487 0.080 0.000 0.906 418 N HN 0.239 nan 8.380 nan 0.000 0.541 419 T N 1.191 115.706 114.554 -0.064 0.000 2.807 419 T HA 0.472 4.822 4.350 -0.000 0.000 0.279 419 T C 0.676 175.345 174.700 -0.052 0.000 0.993 419 T CA -0.604 61.451 62.100 -0.076 0.000 0.970 419 T CB 1.147 69.964 68.868 -0.085 0.000 0.950 419 T HN 0.180 nan 8.240 nan 0.000 0.441 420 I N 3.909 124.462 120.570 -0.028 0.000 2.363 420 I HA 0.197 4.367 4.170 -0.000 0.000 0.292 420 I C 1.026 177.129 176.117 -0.023 0.000 1.075 420 I CA -0.124 61.191 61.300 0.024 0.000 1.333 420 I CB 0.555 38.611 38.000 0.093 0.000 1.415 420 I HN 0.694 nan 8.210 nan 0.000 0.502 421 I N 5.697 126.206 120.570 -0.102 0.000 2.429 421 I HA 0.015 4.185 4.170 -0.000 0.000 0.247 421 I C 0.037 175.873 176.117 -0.468 0.000 1.099 421 I CA 1.049 62.147 61.300 -0.337 0.000 1.422 421 I CB 0.128 37.818 38.000 -0.516 0.000 1.112 421 I HN 0.299 nan 8.210 nan 0.000 0.430 422 F N 1.074 121.033 119.950 0.014 0.000 2.576 422 F HA 0.602 5.129 4.527 -0.000 0.000 0.313 422 F C -0.188 175.529 175.800 -0.138 0.000 1.078 422 F CA -1.243 56.688 58.000 -0.116 0.000 0.921 422 F CB 1.799 40.782 39.000 -0.028 0.000 1.232 422 F HN -0.193 nan 8.300 nan 0.000 0.459 423 M N 1.308 120.817 119.600 -0.151 0.000 2.421 423 M HA 0.966 5.446 4.480 -0.000 0.000 0.287 423 M C -0.947 175.144 176.300 -0.350 0.000 1.183 423 M CA -0.403 54.710 55.300 -0.311 0.000 0.916 423 M CB 2.521 34.906 32.600 -0.358 0.000 1.701 423 M HN 0.705 nan 8.290 nan 0.000 0.470 424 G N 1.395 110.039 108.800 -0.259 0.000 2.554 424 G HA2 0.657 4.617 3.960 -0.000 0.000 0.306 424 G HA3 0.657 4.617 3.960 -0.000 0.000 0.306 424 G C -2.350 172.578 174.900 0.047 0.000 1.320 424 G CA -1.004 44.137 45.100 0.069 0.000 0.800 424 G HN 0.925 nan 8.290 nan 0.000 0.481 425 R N -0.262 120.334 120.500 0.160 0.000 2.538 425 R HA 0.558 4.898 4.340 -0.000 0.000 0.292 425 R C -1.675 174.557 176.300 -0.114 0.000 1.008 425 R CA -0.507 55.610 56.100 0.028 0.000 0.896 425 R CB 2.177 32.554 30.300 0.129 0.000 1.187 425 R HN 0.345 nan 8.270 nan 0.000 0.440 426 V N 4.946 124.589 119.914 -0.451 0.000 2.270 426 V HA 0.272 4.392 4.120 -0.000 0.000 0.263 426 V C 0.915 176.702 176.094 -0.512 0.000 1.066 426 V CA 0.163 62.047 62.300 -0.693 0.000 0.857 426 V CB 0.650 31.573 31.823 -1.500 0.000 1.099 426 V HN 0.948 nan 8.190 nan 0.000 0.476 427 A N 4.386 127.073 122.820 -0.221 0.000 2.095 427 A HA 0.226 4.546 4.320 -0.000 0.000 0.212 427 A C 0.920 178.508 177.584 0.007 0.000 1.162 427 A CA 0.561 52.578 52.037 -0.033 0.000 0.753 427 A CB -0.008 18.993 19.000 0.003 0.000 0.840 427 A HN 0.695 nan 8.150 nan 0.000 0.468 428 N N -0.945 117.621 118.700 -0.225 0.000 2.655 428 N HA 0.229 4.969 4.740 -0.000 0.000 0.277 428 N C -2.888 172.385 175.510 -0.394 0.000 1.177 428 N CA -0.955 51.900 53.050 -0.325 0.000 0.882 428 N CB 1.789 40.217 38.487 -0.099 0.000 1.481 428 N HN -0.099 nan 8.380 nan 0.000 0.547 429 P HA 0.263 nan 4.420 nan 0.000 0.275 429 P C -0.100 177.075 177.300 -0.209 0.000 1.310 429 P CA -0.014 62.886 63.100 -0.333 0.000 0.904 429 P CB 0.177 31.656 31.700 -0.369 0.000 1.381 430 c N 1.190 119.642 118.600 -0.246 0.000 2.741 430 c HA 0.010 4.580 4.570 -0.000 0.000 0.403 430 c C 1.579 175.631 174.090 -0.064 0.000 1.282 430 c CA -0.436 55.820 56.329 -0.122 0.000 2.053 430 c CB -0.298 42.158 42.510 -0.089 0.000 2.731 430 c HN 0.222 nan 8.230 nan 0.000 0.680 431 V N 3.698 123.589 119.914 -0.039 0.000 3.014 431 V HA 0.171 4.291 4.120 -0.000 0.000 0.287 431 V C 0.738 176.818 176.094 -0.024 0.000 1.114 431 V CA 1.549 63.834 62.300 -0.024 0.000 1.259 431 V CB -1.187 30.626 31.823 -0.016 0.000 0.794 431 V HN 1.093 nan 8.190 nan 0.000 0.438 432 K N 0.000 120.387 120.400 -0.022 0.000 2.780 432 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 432 K CA 0.000 56.274 56.287 -0.021 0.000 0.838 432 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 432 K HN 0.000 nan 8.250 nan 0.000 0.543