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 3bs8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRSYEKSKTA FKEAQKLMPG GVNSPVRAFK SVDMDPIFME RGKGSKIFDI DATA SEQUENCE DGNEYIDYVL SWGPLILGHT NDRVVESLKK VAEYGTSFGA PTEVENELAK DATA SEQUENCE LVIDRVPSVE IVRMVSSGTE ATMSALRLAR GYTGRNKILK FEGCYHGHGD DATA SEQUENCE SLLIKAGSGV ATLGLPDSPG VPEGIAKNTI TVPYNDLESV KLAFQQFGED DATA SEQUENCE IAGVIVEPVA GNMGVVPPQE GFLQGLRDIT EQYGSLLIFD EVMTGFRVDY DATA SEQUENCE NCAQGYFGVT PDLTCLGKVI GGGLPVGAYG GKAEIMEQIA PSGPIYQAGT DATA SEQUENCE LSGNPLAMTA GLETLKQLTP DSYKNFIKKG DRLEEGISKA AEAHGIPHTF DATA SEQUENCE NRAGSMIGFF FTNEPVINYE TAKASDLKLF ASYYKGMANE GVFLPPSQFE DATA SEQUENCE GLFLSTAHTD EDIENTIQAA EKVFAEISRR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.234 176.300 -0.109 0.000 1.140 1 M CA 0.000 55.263 55.300 -0.062 0.000 0.988 1 M CB 0.000 32.572 32.600 -0.047 0.000 1.302 2 R N 1.089 121.503 120.500 -0.145 0.000 2.533 2 R HA 0.553 4.893 4.340 -0.000 0.000 0.288 2 R C -1.726 174.316 176.300 -0.430 0.000 1.039 2 R CA -0.230 55.691 56.100 -0.297 0.000 0.909 2 R CB 2.213 32.315 30.300 -0.330 0.000 1.195 2 R HN 0.663 nan 8.270 nan 0.000 0.438 3 S N 3.390 118.840 115.700 -0.416 0.000 2.480 3 S HA 0.327 4.797 4.470 -0.000 0.000 0.286 3 S C -0.666 173.669 174.600 -0.441 0.000 1.180 3 S CA -0.400 57.611 58.200 -0.315 0.000 1.075 3 S CB 0.493 63.604 63.200 -0.149 0.000 0.996 3 S HN 0.645 nan 8.310 nan 0.000 0.487 4 Y N 2.424 122.735 120.300 0.018 0.000 2.720 4 Y HA 0.299 4.849 4.550 -0.001 0.000 0.268 4 Y C 1.480 177.385 175.900 0.008 0.000 1.142 4 Y CA -0.518 57.598 58.100 0.027 0.000 1.193 4 Y CB 0.304 38.785 38.460 0.036 0.000 1.176 4 Y HN 0.663 nan 8.280 nan 0.000 0.542 5 E N 1.465 121.716 120.200 0.084 0.000 2.031 5 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 5 E C 1.701 178.312 176.600 0.018 0.000 0.994 5 E CA 1.699 58.127 56.400 0.047 0.000 0.800 5 E CB 0.176 29.884 29.700 0.013 0.000 0.752 5 E HN 0.303 nan 8.360 nan 0.000 0.447 6 K N -0.139 120.263 120.400 0.003 0.000 2.063 6 K HA -0.078 4.242 4.320 -0.000 0.000 0.208 6 K C 2.366 178.909 176.600 -0.095 0.000 1.048 6 K CA 1.418 57.681 56.287 -0.039 0.000 0.928 6 K CB -0.196 32.289 32.500 -0.025 0.000 0.713 6 K HN 0.025 nan 8.250 nan 0.000 0.442 7 S N 1.254 116.944 115.700 -0.017 0.000 2.382 7 S HA -0.148 4.322 4.470 -0.000 0.000 0.228 7 S C 1.872 176.441 174.600 -0.053 0.000 1.027 7 S CA 1.180 59.363 58.200 -0.029 0.000 0.991 7 S CB -0.071 63.233 63.200 0.175 0.000 0.823 7 S HN 0.316 nan 8.310 nan 0.000 0.469 8 K N 0.912 121.326 120.400 0.022 0.000 2.026 8 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 8 K C 1.975 178.579 176.600 0.007 0.000 1.048 8 K CA 1.658 57.980 56.287 0.058 0.000 0.929 8 K CB -0.330 32.209 32.500 0.066 0.000 0.713 8 K HN 0.260 nan 8.250 nan 0.000 0.439 9 T N 0.671 115.189 114.554 -0.061 0.000 2.777 9 T HA -0.070 4.279 4.350 -0.000 0.000 0.266 9 T C 1.866 176.455 174.700 -0.185 0.000 1.040 9 T CA 1.240 63.284 62.100 -0.094 0.000 1.141 9 T CB -0.248 68.571 68.868 -0.082 0.000 0.868 9 T HN 0.412 nan 8.240 nan 0.000 0.444 10 A N 0.945 123.542 122.820 -0.372 0.000 1.933 10 A HA -0.011 4.309 4.320 -0.000 0.000 0.218 10 A C 1.987 179.227 177.584 -0.573 0.000 1.175 10 A CA 1.186 52.816 52.037 -0.679 0.000 0.628 10 A CB -0.880 17.298 19.000 -1.371 0.000 0.814 10 A HN 0.462 nan 8.150 nan 0.000 0.444 11 F N 0.659 120.291 119.950 -0.530 0.000 2.186 11 F HA -0.046 4.483 4.527 0.002 0.000 0.299 11 F C 2.079 177.883 175.800 0.008 0.000 1.090 11 F CA 1.740 59.746 58.000 0.010 0.000 1.307 11 F CB -0.224 38.876 39.000 0.167 0.000 1.019 11 F HN 0.231 nan 8.300 nan 0.000 0.489 12 K N 0.428 120.755 120.400 -0.122 0.000 2.063 12 K HA -0.213 4.106 4.320 -0.000 0.000 0.208 12 K C 2.003 178.498 176.600 -0.175 0.000 1.048 12 K CA 2.003 58.184 56.287 -0.176 0.000 0.928 12 K CB -0.230 32.221 32.500 -0.082 0.000 0.713 12 K HN 0.357 nan 8.250 nan 0.000 0.442 13 E N -0.093 120.029 120.200 -0.130 0.000 2.077 13 E HA -0.195 4.154 4.350 -0.000 0.000 0.193 13 E C 2.023 178.581 176.600 -0.070 0.000 0.989 13 E CA 1.030 57.376 56.400 -0.089 0.000 0.800 13 E CB -0.150 29.505 29.700 -0.074 0.000 0.746 13 E HN 0.444 nan 8.360 nan 0.000 0.452 14 A N 1.396 124.192 122.820 -0.041 0.000 1.908 14 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 14 A C 2.033 179.564 177.584 -0.089 0.000 1.181 14 A CA 1.490 53.551 52.037 0.041 0.000 0.627 14 A CB -0.505 18.677 19.000 0.304 0.000 0.818 14 A HN 0.204 nan 8.150 nan 0.000 0.445 15 Q N -0.339 119.293 119.800 -0.281 0.000 2.291 15 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 15 Q C 1.162 177.078 176.000 -0.141 0.000 0.976 15 Q CA 1.491 57.121 55.803 -0.289 0.000 0.875 15 Q CB -0.126 28.341 28.738 -0.452 0.000 0.927 15 Q HN 0.852 nan 8.270 nan 0.000 0.450 16 K N -0.598 119.738 120.400 -0.106 0.000 2.410 16 K HA 0.147 4.467 4.320 -0.000 0.000 0.200 16 K C 0.990 177.569 176.600 -0.034 0.000 1.023 16 K CA 0.164 56.414 56.287 -0.062 0.000 1.149 16 K CB 0.583 33.049 32.500 -0.056 0.000 0.859 16 K HN 0.101 nan 8.250 nan 0.000 0.514 17 L N -0.616 120.592 121.223 -0.025 0.000 2.806 17 L HA 0.364 4.704 4.340 -0.000 0.000 0.242 17 L C 0.385 177.260 176.870 0.008 0.000 1.068 17 L CA -0.141 54.698 54.840 -0.002 0.000 0.923 17 L CB 0.346 42.414 42.059 0.014 0.000 1.364 17 L HN 0.113 nan 8.230 nan 0.000 0.511 18 M N -0.168 119.438 119.600 0.009 0.000 2.619 18 M HA 0.454 4.934 4.480 -0.000 0.000 0.297 18 M C -2.590 173.718 176.300 0.013 0.000 1.229 18 M CA -1.668 53.644 55.300 0.020 0.000 0.860 18 M CB 2.266 34.892 32.600 0.045 0.000 1.741 18 M HN -0.340 nan 8.290 nan 0.000 0.462 19 P HA 0.147 nan 4.420 nan 0.000 0.266 19 P C 0.668 177.991 177.300 0.038 0.000 1.215 19 P CA 0.781 63.890 63.100 0.015 0.000 0.763 19 P CB 0.290 31.994 31.700 0.006 0.000 0.806 20 G N 3.356 112.181 108.800 0.042 0.000 2.168 20 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.263 20 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.263 20 G C 0.883 175.874 174.900 0.150 0.000 0.977 20 G CA 0.494 45.652 45.100 0.096 0.000 0.659 20 G HN 1.045 nan 8.290 nan 0.000 0.533 21 G N -2.494 106.342 108.800 0.060 0.000 2.160 21 G HA2 0.148 4.108 3.960 -0.000 0.000 0.251 21 G HA3 0.148 4.108 3.960 -0.000 0.000 0.251 21 G C 0.782 175.819 174.900 0.229 0.000 1.008 21 G CA 1.522 46.660 45.100 0.062 0.000 0.724 21 G HN 2.423 nan 8.290 nan 0.000 0.514 22 V N -4.788 115.225 119.914 0.165 0.000 3.159 22 V HA 0.764 4.884 4.120 -0.000 0.000 0.308 22 V C 0.459 176.597 176.094 0.073 0.000 1.190 22 V CA -0.849 61.533 62.300 0.136 0.000 1.037 22 V CB 1.853 33.766 31.823 0.149 0.000 1.060 22 V HN -0.086 nan 8.190 nan 0.000 0.437 23 N N 0.796 119.528 118.700 0.055 0.000 2.280 23 N HA 0.280 5.020 4.740 -0.000 0.000 0.192 23 N C 0.036 175.550 175.510 0.007 0.000 1.109 23 N CA 0.553 53.620 53.050 0.030 0.000 0.855 23 N CB 1.052 39.561 38.487 0.036 0.000 0.974 23 N HN 0.745 nan 8.380 nan 0.000 0.482 24 S N -0.555 115.150 115.700 0.009 0.000 2.584 24 S HA 0.291 4.761 4.470 -0.000 0.000 0.280 24 S C -2.113 172.468 174.600 -0.032 0.000 1.162 24 S CA -0.891 57.288 58.200 -0.035 0.000 0.951 24 S CB 1.599 64.761 63.200 -0.063 0.000 1.108 24 S HN -0.227 nan 8.310 nan 0.000 0.464 25 P HA -0.169 nan 4.420 nan 0.000 0.219 25 P C 1.562 178.838 177.300 -0.041 0.000 1.161 25 P CA 1.091 64.164 63.100 -0.045 0.000 0.909 25 P CB 0.073 31.720 31.700 -0.088 0.000 0.793 26 V N -0.083 119.756 119.914 -0.125 0.000 2.453 26 V HA -0.285 3.835 4.120 -0.000 0.000 0.252 26 V C 2.125 178.228 176.094 0.016 0.000 1.068 26 V CA 1.867 64.090 62.300 -0.129 0.000 1.070 26 V CB -0.808 30.819 31.823 -0.326 0.000 0.664 26 V HN 0.091 nan 8.190 nan 0.000 0.461 27 R N -0.054 120.510 120.500 0.106 0.000 2.328 27 R HA 0.058 4.398 4.340 -0.000 0.000 0.207 27 R C 2.058 178.560 176.300 0.336 0.000 1.056 27 R CA 0.912 57.177 56.100 0.275 0.000 1.016 27 R CB -0.389 30.023 30.300 0.186 0.000 0.872 27 R HN 0.581 nan 8.270 nan 0.000 0.471 28 A N 0.337 123.292 122.820 0.225 0.000 2.167 28 A HA -0.004 4.316 4.320 -0.000 0.000 0.214 28 A C 0.252 177.963 177.584 0.213 0.000 1.151 28 A CA 0.124 52.270 52.037 0.182 0.000 0.735 28 A CB -0.271 18.840 19.000 0.185 0.000 0.802 28 A HN 0.368 nan 8.150 nan 0.000 0.467 29 F N -1.593 118.296 119.950 -0.101 0.000 3.069 29 F HA -0.273 4.255 4.527 0.001 0.000 0.285 29 F C 1.248 176.993 175.800 -0.092 0.000 0.827 29 F CA 1.121 59.044 58.000 -0.128 0.000 1.108 29 F CB -2.151 36.743 39.000 -0.177 0.000 1.252 29 F HN 0.317 nan 8.300 nan 0.000 0.483 30 K N -0.207 120.243 120.400 0.084 0.000 2.442 30 K HA -0.057 4.263 4.320 -0.000 0.000 0.198 30 K C 1.435 178.063 176.600 0.045 0.000 1.044 30 K CA 1.340 57.668 56.287 0.067 0.000 0.948 30 K CB -0.175 32.362 32.500 0.062 0.000 0.762 30 K HN 0.454 nan 8.250 nan 0.000 0.472 31 S N -0.770 114.940 115.700 0.016 0.000 2.711 31 S HA 0.136 4.606 4.470 -0.000 0.000 0.247 31 S C 0.451 175.081 174.600 0.050 0.000 1.079 31 S CA -0.526 57.695 58.200 0.035 0.000 1.050 31 S CB 0.458 63.678 63.200 0.034 0.000 0.885 31 S HN 0.066 nan 8.310 nan 0.000 0.498 32 V N -3.278 116.637 119.914 0.002 0.000 3.261 32 V HA 0.397 4.517 4.120 -0.000 0.000 0.330 32 V C -0.337 175.794 176.094 0.062 0.000 1.461 32 V CA -0.410 61.867 62.300 -0.038 0.000 1.127 32 V CB -0.627 30.902 31.823 -0.490 0.000 1.044 32 V HN 0.210 nan 8.190 nan 0.000 0.499 33 D N 1.347 121.788 120.400 0.068 0.000 2.911 33 D HA -0.180 4.460 4.640 -0.000 0.000 0.227 33 D C 0.033 176.373 176.300 0.067 0.000 1.164 33 D CA 1.958 55.998 54.000 0.065 0.000 0.782 33 D CB -0.976 39.858 40.800 0.056 0.000 1.094 33 D HN 1.000 nan 8.370 nan 0.000 0.425 34 M N -3.127 116.521 119.600 0.081 0.000 2.643 34 M HA 0.435 4.915 4.480 -0.000 0.000 0.276 34 M C -1.649 174.646 176.300 -0.007 0.000 1.200 34 M CA -0.972 54.340 55.300 0.020 0.000 0.863 34 M CB 2.152 34.742 32.600 -0.017 0.000 1.711 34 M HN -0.342 nan 8.290 nan 0.000 0.492 35 D N 2.081 122.394 120.400 -0.146 0.000 2.354 35 D HA 0.454 5.094 4.640 -0.000 0.000 0.247 35 D C -2.460 173.406 176.300 -0.722 0.000 1.138 35 D CA -0.762 53.041 54.000 -0.329 0.000 0.958 35 D CB 0.889 41.557 40.800 -0.219 0.000 1.144 35 D HN 0.387 nan 8.370 nan 0.000 0.458 36 P HA 0.001 nan 4.420 nan 0.000 0.263 36 P C -0.411 176.330 177.300 -0.931 0.000 1.175 36 P CA 0.530 62.631 63.100 -1.665 0.000 0.761 36 P CB 0.335 31.385 31.700 -1.084 0.000 0.794 37 I N 4.130 124.093 120.570 -1.011 0.000 2.304 37 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 37 I C 0.228 176.236 176.117 -0.182 0.000 1.018 37 I CA -0.515 60.594 61.300 -0.317 0.000 1.260 37 I CB 0.094 37.941 38.000 -0.255 0.000 1.390 37 I HN 0.174 nan 8.210 nan 0.000 0.475 38 F N 6.805 126.664 119.950 -0.151 0.000 2.438 38 F HA 0.327 4.854 4.527 -0.000 0.000 0.356 38 F C 0.467 176.225 175.800 -0.069 0.000 1.099 38 F CA -0.142 57.816 58.000 -0.071 0.000 1.185 38 F CB 0.659 39.653 39.000 -0.010 0.000 1.115 38 F HN 0.271 nan 8.300 nan 0.000 0.526 39 M N 3.431 123.035 119.600 0.007 0.000 2.363 39 M HA 0.246 4.726 4.480 -0.000 0.000 0.343 39 M C 0.772 177.110 176.300 0.064 0.000 1.165 39 M CA -0.235 55.055 55.300 -0.017 0.000 1.046 39 M CB 1.649 34.172 32.600 -0.127 0.000 1.648 39 M HN 0.768 nan 8.290 nan 0.000 0.452 40 E N 1.497 121.742 120.200 0.075 0.000 2.441 40 E HA 0.207 4.556 4.350 -0.000 0.000 0.212 40 E C 0.051 176.686 176.600 0.059 0.000 0.840 40 E CA -0.161 56.284 56.400 0.075 0.000 1.143 40 E CB 0.971 30.715 29.700 0.073 0.000 1.153 40 E HN 0.725 nan 8.360 nan 0.000 0.539 41 R N -0.316 120.226 120.500 0.069 0.000 2.733 41 R HA 0.736 5.076 4.340 -0.000 0.000 0.272 41 R C -0.973 175.377 176.300 0.083 0.000 1.029 41 R CA -0.837 55.298 56.100 0.058 0.000 0.888 41 R CB 1.419 31.708 30.300 -0.018 0.000 1.251 41 R HN 0.056 nan 8.270 nan 0.000 0.464 42 G N 0.370 109.202 108.800 0.053 0.000 2.692 42 G HA2 0.555 4.515 3.960 -0.000 0.000 0.291 42 G HA3 0.555 4.515 3.960 -0.000 0.000 0.291 42 G C -1.877 173.118 174.900 0.158 0.000 1.423 42 G CA -0.731 44.338 45.100 -0.051 0.000 0.843 42 G HN 0.477 nan 8.290 nan 0.000 0.486 43 K N 0.228 120.760 120.400 0.220 0.000 2.695 43 K HA 0.605 4.925 4.320 -0.000 0.000 0.255 43 K C 0.664 177.361 176.600 0.161 0.000 1.016 43 K CA 0.775 57.178 56.287 0.193 0.000 0.928 43 K CB 0.899 33.494 32.500 0.158 0.000 1.235 43 K HN 2.011 nan 8.250 nan 0.000 0.467 44 G N 2.530 111.422 108.800 0.154 0.000 2.596 44 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.304 44 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.304 44 G C 0.756 175.711 174.900 0.091 0.000 1.189 44 G CA 0.860 46.020 45.100 0.099 0.000 0.986 44 G HN 1.237 nan 8.290 nan 0.000 0.548 45 S N 0.604 116.260 115.700 -0.072 0.000 2.562 45 S HA 0.251 4.721 4.470 -0.000 0.000 0.221 45 S C 0.779 175.235 174.600 -0.239 0.000 0.975 45 S CA 1.393 59.395 58.200 -0.330 0.000 0.918 45 S CB 0.158 62.873 63.200 -0.808 0.000 0.772 45 S HN 0.597 nan 8.310 nan 0.000 0.531 46 K N 1.528 121.850 120.400 -0.129 0.000 2.183 46 K HA 0.520 4.840 4.320 -0.000 0.000 0.274 46 K C -0.791 175.608 176.600 -0.336 0.000 1.009 46 K CA -0.489 55.645 56.287 -0.255 0.000 0.888 46 K CB 1.745 34.100 32.500 -0.242 0.000 1.078 46 K HN 0.345 nan 8.250 nan 0.000 0.459 47 I N 2.365 122.653 120.570 -0.470 0.000 2.569 47 I HA 0.465 4.635 4.170 -0.000 0.000 0.296 47 I C -1.409 174.436 176.117 -0.454 0.000 1.028 47 I CA -1.071 59.951 61.300 -0.463 0.000 1.082 47 I CB 1.018 38.796 38.000 -0.370 0.000 1.264 47 I HN 0.340 nan 8.210 nan 0.000 0.429 48 F N 4.754 124.648 119.950 -0.093 0.000 2.507 48 F HA 0.363 4.889 4.527 -0.001 0.000 0.325 48 F C -0.001 175.811 175.800 0.020 0.000 1.116 48 F CA -0.845 57.159 58.000 0.007 0.000 0.930 48 F CB 1.221 40.195 39.000 -0.044 0.000 1.146 48 F HN 0.446 nan 8.300 nan 0.000 0.447 49 D N 2.085 122.648 120.400 0.273 0.000 2.433 49 D HA 0.113 4.752 4.640 -0.000 0.000 0.255 49 D C 1.209 177.607 176.300 0.162 0.000 1.226 49 D CA -0.457 53.657 54.000 0.189 0.000 1.015 49 D CB 0.546 41.508 40.800 0.270 0.000 1.091 49 D HN 0.608 nan 8.370 nan 0.000 0.527 50 I N -3.851 116.805 120.570 0.143 0.000 3.291 50 I HA 0.034 4.204 4.170 -0.000 0.000 0.279 50 I C 0.317 176.473 176.117 0.064 0.000 1.294 50 I CA 0.664 62.023 61.300 0.099 0.000 1.428 50 I CB -0.232 37.826 38.000 0.096 0.000 1.070 50 I HN 0.055 nan 8.210 nan 0.000 0.478 51 D N 1.721 122.167 120.400 0.076 0.000 2.328 51 D HA 0.136 4.775 4.640 -0.000 0.000 0.221 51 D C 1.750 178.055 176.300 0.009 0.000 1.072 51 D CA 0.922 54.937 54.000 0.025 0.000 0.850 51 D CB 0.764 41.566 40.800 0.004 0.000 0.922 51 D HN 0.618 nan 8.370 nan 0.000 0.516 52 G N 1.650 110.484 108.800 0.056 0.000 2.184 52 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.264 52 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.264 52 G C 0.192 175.142 174.900 0.083 0.000 0.975 52 G CA -0.095 45.049 45.100 0.073 0.000 0.642 52 G HN 0.350 nan 8.290 nan 0.000 0.536 53 N N 0.823 119.517 118.700 -0.009 0.000 2.513 53 N HA 0.401 5.140 4.740 -0.000 0.000 0.268 53 N C 0.002 175.295 175.510 -0.361 0.000 1.180 53 N CA 0.057 52.967 53.050 -0.233 0.000 0.948 53 N CB 0.700 38.946 38.487 -0.400 0.000 1.083 53 N HN 0.487 nan 8.380 nan 0.000 0.455 54 E N 2.083 121.982 120.200 -0.502 0.000 2.216 54 E HA 0.224 4.574 4.350 -0.000 0.000 0.279 54 E C -1.374 174.767 176.600 -0.765 0.000 0.997 54 E CA -0.464 55.522 56.400 -0.691 0.000 0.817 54 E CB 0.620 30.050 29.700 -0.449 0.000 1.096 54 E HN 0.428 nan 8.360 nan 0.000 0.393 55 Y N 2.257 122.297 120.300 -0.434 0.000 2.512 55 Y HA 0.385 4.934 4.550 -0.001 0.000 0.348 55 Y C -0.114 175.652 175.900 -0.223 0.000 0.990 55 Y CA -0.977 56.994 58.100 -0.214 0.000 1.033 55 Y CB 1.262 39.672 38.460 -0.084 0.000 1.259 55 Y HN 0.396 nan 8.280 nan 0.000 0.461 56 I N 2.728 123.326 120.570 0.046 0.000 2.379 56 I HA 0.071 4.241 4.170 -0.000 0.000 0.290 56 I C -0.207 175.922 176.117 0.019 0.000 1.063 56 I CA 0.015 61.280 61.300 -0.059 0.000 1.351 56 I CB 0.286 38.279 38.000 -0.012 0.000 1.410 56 I HN 0.528 nan 8.210 nan 0.000 0.505 57 D N 6.325 126.685 120.400 -0.067 0.000 2.316 57 D HA 0.087 4.727 4.640 -0.000 0.000 0.245 57 D C -0.215 176.067 176.300 -0.030 0.000 1.171 57 D CA 0.110 54.176 54.000 0.110 0.000 0.856 57 D CB 0.612 41.545 40.800 0.221 0.000 1.090 57 D HN 0.345 nan 8.370 nan 0.000 0.476 58 Y N 2.231 122.614 120.300 0.138 0.000 2.584 58 Y HA 0.121 4.671 4.550 -0.001 0.000 0.254 58 Y C 1.628 177.551 175.900 0.039 0.000 1.177 58 Y CA -0.222 57.937 58.100 0.098 0.000 1.216 58 Y CB 0.775 39.276 38.460 0.068 0.000 1.172 58 Y HN 0.270 nan 8.280 nan 0.000 0.529 59 V N -0.971 118.874 119.914 -0.116 0.000 2.581 59 V HA -0.069 4.050 4.120 -0.000 0.000 0.240 59 V C 1.264 177.005 176.094 -0.588 0.000 1.054 59 V CA 0.397 62.382 62.300 -0.526 0.000 1.076 59 V CB -0.284 30.948 31.823 -0.986 0.000 0.748 59 V HN 0.350 nan 8.190 nan 0.000 0.474 60 L N 1.516 122.589 121.223 -0.250 0.000 3.660 60 L HA -0.269 4.071 4.340 -0.000 0.000 0.440 60 L C 0.977 177.633 176.870 -0.356 0.000 1.262 60 L CA 0.396 55.094 54.840 -0.237 0.000 0.837 60 L CB -2.084 39.887 42.059 -0.147 0.000 1.689 60 L HN 0.523 nan 8.230 nan 0.000 0.890 61 S N -1.210 114.286 115.700 -0.340 0.000 3.358 61 S HA -0.248 4.221 4.470 -0.000 0.000 0.309 61 S C 0.521 174.994 174.600 -0.211 0.000 1.247 61 S CA 1.854 59.911 58.200 -0.237 0.000 0.961 61 S CB -1.080 62.070 63.200 -0.084 0.000 1.074 61 S HN 0.752 nan 8.310 nan 0.000 0.625 62 W N -3.091 117.891 121.300 -0.530 0.000 2.482 62 W HA -0.147 4.513 4.660 -0.001 0.000 0.297 62 W C 1.225 177.195 176.519 -0.914 0.000 1.163 62 W CA 0.369 57.191 57.345 -0.872 0.000 0.540 62 W CB -1.807 27.438 29.460 -0.357 0.000 2.214 62 W HN 1.277 nan 8.180 nan 0.000 1.204 63 G N -3.931 104.502 108.800 -0.611 0.000 3.134 63 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.195 63 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.195 63 G C -0.733 174.158 174.900 -0.016 0.000 1.054 63 G CA 0.064 45.081 45.100 -0.138 0.000 0.828 63 G HN 0.106 nan 8.290 nan 0.000 0.462 64 P HA 0.062 nan 4.420 nan 0.000 0.215 64 P C 1.199 178.481 177.300 -0.029 0.000 1.153 64 P CA 0.785 63.885 63.100 0.000 0.000 0.853 64 P CB -0.116 31.579 31.700 -0.007 0.000 0.788 65 L N -0.335 120.830 121.223 -0.096 0.000 2.672 65 L HA 0.167 4.507 4.340 -0.000 0.000 0.238 65 L C 1.671 178.506 176.870 -0.058 0.000 1.392 65 L CA -0.104 54.662 54.840 -0.124 0.000 1.238 65 L CB -0.801 41.076 42.059 -0.304 0.000 1.548 65 L HN -0.047 nan 8.230 nan 0.000 0.423 66 I N 0.320 120.890 120.570 0.000 0.000 2.756 66 I HA -0.197 3.972 4.170 -0.000 0.000 0.262 66 I C 1.601 177.781 176.117 0.104 0.000 1.225 66 I CA 1.242 62.564 61.300 0.037 0.000 1.472 66 I CB 0.298 38.351 38.000 0.089 0.000 1.094 66 I HN 0.503 nan 8.210 nan 0.000 0.454 67 L N 0.411 121.677 121.223 0.071 0.000 2.667 67 L HA 0.408 4.748 4.340 -0.000 0.000 0.232 67 L C 1.001 177.914 176.870 0.073 0.000 1.138 67 L CA 0.131 55.022 54.840 0.085 0.000 0.921 67 L CB -0.712 41.381 42.059 0.056 0.000 1.180 67 L HN 0.385 nan 8.230 nan 0.000 0.487 68 G N -0.182 108.648 108.800 0.050 0.000 2.660 68 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.215 68 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.215 68 G C -0.506 174.370 174.900 -0.039 0.000 1.345 68 G CA -0.764 44.362 45.100 0.043 0.000 0.877 68 G HN 0.225 nan 8.290 nan 0.000 0.549 69 H N 0.956 120.050 119.070 0.040 0.000 2.562 69 H HA 0.382 4.938 4.556 -0.000 0.000 0.352 69 H C 1.443 176.798 175.328 0.044 0.000 1.125 69 H CA 1.144 57.219 56.048 0.045 0.000 1.379 69 H CB 0.739 30.539 29.762 0.063 0.000 1.464 69 H HN 1.531 nan 8.280 nan 0.000 0.563 70 T N 0.215 114.855 114.554 0.143 0.000 3.549 70 T HA -0.263 4.087 4.350 -0.000 0.000 0.398 70 T C 0.282 175.022 174.700 0.066 0.000 0.766 70 T CA 0.456 62.612 62.100 0.094 0.000 2.007 70 T CB -1.873 67.053 68.868 0.097 0.000 1.727 70 T HN 0.751 nan 8.240 nan 0.000 0.693 71 N N 1.160 119.889 118.700 0.049 0.000 2.468 71 N HA -0.013 4.727 4.740 -0.000 0.000 0.265 71 N C 0.974 176.501 175.510 0.029 0.000 1.199 71 N CA 0.147 53.220 53.050 0.039 0.000 0.928 71 N CB 0.780 39.286 38.487 0.031 0.000 1.059 71 N HN 0.332 nan 8.380 nan 0.000 0.467 72 D N 4.234 124.650 120.400 0.027 0.000 2.126 72 D HA -0.216 4.424 4.640 -0.000 0.000 0.190 72 D C 1.605 177.913 176.300 0.014 0.000 1.001 72 D CA 1.609 55.621 54.000 0.020 0.000 0.841 72 D CB 0.083 40.893 40.800 0.017 0.000 0.949 72 D HN 0.639 nan 8.370 nan 0.000 0.446 73 R N 0.317 120.825 120.500 0.013 0.000 2.080 73 R HA -0.113 4.227 4.340 -0.000 0.000 0.236 73 R C 2.537 178.840 176.300 0.005 0.000 1.137 73 R CA 0.945 57.050 56.100 0.008 0.000 0.943 73 R CB -0.538 29.767 30.300 0.008 0.000 0.846 73 R HN 0.098 nan 8.270 nan 0.000 0.431 74 V N 0.438 120.357 119.914 0.007 0.000 2.343 74 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 74 V C 2.345 178.442 176.094 0.005 0.000 1.051 74 V CA 1.630 63.932 62.300 0.003 0.000 1.036 74 V CB -0.330 31.496 31.823 0.005 0.000 0.654 74 V HN 0.146 nan 8.190 nan 0.000 0.451 75 V N 0.764 120.685 119.914 0.012 0.000 2.307 75 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 75 V C 2.549 178.649 176.094 0.010 0.000 1.045 75 V CA 2.270 64.579 62.300 0.014 0.000 1.024 75 V CB -0.696 31.139 31.823 0.021 0.000 0.651 75 V HN 0.841 nan 8.190 nan 0.000 0.449 76 E N 1.415 121.619 120.200 0.008 0.000 2.106 76 E HA -0.234 4.115 4.350 -0.000 0.000 0.192 76 E C 2.204 178.803 176.600 -0.001 0.000 0.984 76 E CA 1.804 58.207 56.400 0.006 0.000 0.806 76 E CB -0.397 29.306 29.700 0.006 0.000 0.750 76 E HN 0.660 nan 8.360 nan 0.000 0.458 77 S N 0.347 116.042 115.700 -0.008 0.000 2.402 77 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 77 S C 2.018 176.605 174.600 -0.022 0.000 1.021 77 S CA 0.727 58.914 58.200 -0.022 0.000 0.974 77 S CB -0.308 62.877 63.200 -0.024 0.000 0.800 77 S HN 0.257 nan 8.310 nan 0.000 0.484 78 L N 1.768 122.986 121.223 -0.008 0.000 2.056 78 L HA 0.090 4.430 4.340 -0.000 0.000 0.207 78 L C 2.504 179.377 176.870 0.006 0.000 1.078 78 L CA 1.726 56.565 54.840 -0.003 0.000 0.749 78 L CB -0.666 41.396 42.059 0.004 0.000 0.901 78 L HN 0.269 nan 8.230 nan 0.000 0.433 79 K N -0.721 119.686 120.400 0.011 0.000 2.057 79 K HA -0.230 4.090 4.320 -0.000 0.000 0.207 79 K C 2.145 178.765 176.600 0.034 0.000 1.049 79 K CA 1.395 57.695 56.287 0.023 0.000 0.931 79 K CB -0.247 32.266 32.500 0.022 0.000 0.714 79 K HN 0.226 nan 8.250 nan 0.000 0.440 80 K N 1.422 121.831 120.400 0.014 0.000 2.032 80 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 80 K C 2.007 178.604 176.600 -0.005 0.000 1.048 80 K CA 1.576 57.864 56.287 0.002 0.000 0.927 80 K CB -0.140 32.324 32.500 -0.059 0.000 0.712 80 K HN -0.044 nan 8.250 nan 0.000 0.441 81 V N 1.605 121.501 119.914 -0.030 0.000 2.261 81 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 81 V C 2.598 178.743 176.094 0.085 0.000 1.047 81 V CA 1.985 64.283 62.300 -0.003 0.000 1.015 81 V CB -0.934 30.882 31.823 -0.012 0.000 0.642 81 V HN 0.531 nan 8.190 nan 0.000 0.446 82 A N -0.560 122.293 122.820 0.056 0.000 1.958 82 A HA -0.302 4.018 4.320 -0.000 0.000 0.221 82 A C 2.192 179.839 177.584 0.105 0.000 1.178 82 A CA 2.084 54.156 52.037 0.058 0.000 0.642 82 A CB -0.514 18.509 19.000 0.038 0.000 0.816 82 A HN 0.551 nan 8.150 nan 0.000 0.453 83 E N -1.260 119.033 120.200 0.155 0.000 2.077 83 E HA -0.185 4.164 4.350 -0.000 0.000 0.193 83 E C 1.785 178.543 176.600 0.263 0.000 0.989 83 E CA 1.391 57.912 56.400 0.201 0.000 0.800 83 E CB -0.324 29.527 29.700 0.253 0.000 0.746 83 E HN 0.812 nan 8.360 nan 0.000 0.452 84 Y N -0.525 119.829 120.300 0.090 0.000 2.269 84 Y HA 0.236 4.786 4.550 -0.000 0.000 0.294 84 Y C 1.343 177.392 175.900 0.250 0.000 1.120 84 Y CA 0.984 59.177 58.100 0.155 0.000 1.159 84 Y CB 0.521 39.085 38.460 0.174 0.000 1.024 84 Y HN 0.002 nan 8.280 nan 0.000 0.532 85 G N -1.517 107.473 108.800 0.316 0.000 2.341 85 G HA2 0.221 4.181 3.960 -0.000 0.000 0.300 85 G HA3 0.221 4.181 3.960 -0.000 0.000 0.300 85 G C 0.381 175.144 174.900 -0.229 0.000 1.706 85 G CA -0.169 44.953 45.100 0.036 0.000 0.916 85 G HN 0.052 nan 8.290 nan 0.000 0.716 86 T N -1.749 112.652 114.554 -0.255 0.000 2.812 86 T HA 0.396 4.745 4.350 -0.000 0.000 0.264 86 T C 1.197 175.673 174.700 -0.372 0.000 1.042 86 T CA 1.588 63.554 62.100 -0.224 0.000 1.140 86 T CB 0.101 68.890 68.868 -0.131 0.000 0.870 86 T HN 1.517 nan 8.240 nan 0.000 0.445 87 S N -1.087 114.262 115.700 -0.584 0.000 2.547 87 S HA 0.605 5.075 4.470 -0.000 0.000 0.270 87 S C -1.403 172.749 174.600 -0.747 0.000 1.150 87 S CA -0.861 57.002 58.200 -0.562 0.000 0.850 87 S CB 1.080 64.146 63.200 -0.222 0.000 1.118 87 S HN 0.200 nan 8.310 nan 0.000 0.461 88 F N 1.154 121.122 119.950 0.031 0.000 2.831 88 F HA 0.396 4.923 4.527 0.000 0.000 0.334 88 F C 1.890 177.705 175.800 0.025 0.000 1.071 88 F CA 0.122 58.139 58.000 0.029 0.000 1.172 88 F CB 0.165 39.184 39.000 0.032 0.000 1.054 88 F HN 0.887 nan 8.300 nan 0.000 0.572 89 G N 1.217 110.102 108.800 0.141 0.000 2.187 89 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.261 89 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.261 89 G C 0.166 175.132 174.900 0.110 0.000 1.000 89 G CA 0.375 45.534 45.100 0.100 0.000 0.718 89 G HN 0.794 nan 8.290 nan 0.000 0.519 90 A N -0.835 122.077 122.820 0.153 0.000 2.479 90 A HA 0.919 5.239 4.320 -0.000 0.000 0.296 90 A C -2.512 175.138 177.584 0.111 0.000 1.121 90 A CA -1.313 50.790 52.037 0.110 0.000 0.743 90 A CB 1.201 20.256 19.000 0.091 0.000 1.323 90 A HN 0.112 nan 8.150 nan 0.000 0.415 91 P HA 0.318 nan 4.420 nan 0.000 0.267 91 P C -0.088 177.249 177.300 0.062 0.000 1.200 91 P CA 0.347 63.480 63.100 0.055 0.000 0.772 91 P CB 0.612 32.329 31.700 0.028 0.000 0.855 92 T N -2.397 112.200 114.554 0.073 0.000 2.916 92 T HA 0.352 4.702 4.350 -0.000 0.000 0.292 92 T C 0.735 175.460 174.700 0.042 0.000 1.064 92 T CA -0.735 61.410 62.100 0.075 0.000 1.011 92 T CB 1.717 70.683 68.868 0.163 0.000 1.152 92 T HN 0.287 nan 8.240 nan 0.000 0.510 93 E N -0.049 120.170 120.200 0.031 0.000 2.158 93 E HA -0.027 4.322 4.350 -0.000 0.000 0.191 93 E C 2.013 178.623 176.600 0.017 0.000 0.982 93 E CA 0.487 56.897 56.400 0.017 0.000 0.823 93 E CB 0.035 29.740 29.700 0.008 0.000 0.766 93 E HN 0.447 nan 8.360 nan 0.000 0.468 94 V N 1.571 121.501 119.914 0.027 0.000 2.515 94 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 94 V C 1.785 177.887 176.094 0.013 0.000 1.058 94 V CA 1.875 64.185 62.300 0.016 0.000 1.064 94 V CB -0.154 31.682 31.823 0.021 0.000 0.675 94 V HN 0.213 nan 8.190 nan 0.000 0.461 95 E N 0.095 120.309 120.200 0.024 0.000 2.085 95 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 95 E C 2.046 178.647 176.600 0.003 0.000 0.994 95 E CA 1.699 58.108 56.400 0.014 0.000 0.801 95 E CB -0.191 29.523 29.700 0.022 0.000 0.743 95 E HN 0.610 nan 8.360 nan 0.000 0.453 96 N N 0.737 119.440 118.700 0.005 0.000 2.084 96 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 96 N C 1.692 177.200 175.510 -0.002 0.000 1.030 96 N CA 1.005 54.055 53.050 -0.000 0.000 0.849 96 N CB -0.287 38.201 38.487 0.002 0.000 1.012 96 N HN 0.238 nan 8.380 nan 0.000 0.423 97 E N 0.063 120.261 120.200 -0.002 0.000 2.051 97 E HA -0.147 4.202 4.350 -0.000 0.000 0.192 97 E C 1.860 178.453 176.600 -0.012 0.000 0.991 97 E CA 0.692 57.089 56.400 -0.006 0.000 0.799 97 E CB -0.052 29.644 29.700 -0.007 0.000 0.748 97 E HN 0.100 nan 8.360 nan 0.000 0.449 98 L N 0.628 121.841 121.223 -0.017 0.000 2.056 98 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 98 L C 2.206 179.065 176.870 -0.018 0.000 1.078 98 L CA 2.025 56.848 54.840 -0.028 0.000 0.749 98 L CB -0.769 41.272 42.059 -0.031 0.000 0.901 98 L HN 0.150 nan 8.230 nan 0.000 0.433 99 A N 0.647 123.461 122.820 -0.011 0.000 1.884 99 A HA -0.331 3.989 4.320 -0.000 0.000 0.219 99 A C 2.282 179.867 177.584 0.001 0.000 1.197 99 A CA 2.712 54.744 52.037 -0.008 0.000 0.637 99 A CB -0.806 18.184 19.000 -0.016 0.000 0.827 99 A HN 0.670 nan 8.150 nan 0.000 0.450 100 K N -0.418 119.982 120.400 0.000 0.000 2.097 100 K HA 0.001 4.321 4.320 -0.000 0.000 0.205 100 K C 2.004 178.614 176.600 0.016 0.000 1.050 100 K CA 1.443 57.734 56.287 0.008 0.000 0.938 100 K CB -0.549 31.955 32.500 0.006 0.000 0.718 100 K HN 0.415 nan 8.250 nan 0.000 0.442 101 L N 1.481 122.708 121.223 0.007 0.000 2.017 101 L HA -0.154 4.185 4.340 -0.000 0.000 0.208 101 L C 2.276 179.164 176.870 0.030 0.000 1.073 101 L CA 0.993 55.835 54.840 0.004 0.000 0.745 101 L CB -0.125 41.914 42.059 -0.033 0.000 0.894 101 L HN 0.044 nan 8.230 nan 0.000 0.432 102 V N 0.338 120.275 119.914 0.039 0.000 2.332 102 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 102 V C 2.359 178.528 176.094 0.125 0.000 1.055 102 V CA 2.240 64.626 62.300 0.143 0.000 1.038 102 V CB -0.420 31.480 31.823 0.129 0.000 0.651 102 V HN 0.418 nan 8.190 nan 0.000 0.450 103 I N 0.041 120.648 120.570 0.062 0.000 2.315 103 I HA -0.205 3.964 4.170 -0.000 0.000 0.248 103 I C 2.038 178.182 176.117 0.045 0.000 1.117 103 I CA 1.461 62.785 61.300 0.039 0.000 1.404 103 I CB -0.405 37.605 38.000 0.016 0.000 1.071 103 I HN 0.307 nan 8.210 nan 0.000 0.419 104 D N 0.072 120.503 120.400 0.052 0.000 2.277 104 D HA -0.094 4.546 4.640 -0.000 0.000 0.208 104 D C 2.185 178.529 176.300 0.074 0.000 0.962 104 D CA 0.828 54.862 54.000 0.057 0.000 0.865 104 D CB -0.005 40.828 40.800 0.055 0.000 0.939 104 D HN 0.261 nan 8.370 nan 0.000 0.510 105 R N -0.162 120.393 120.500 0.091 0.000 2.221 105 R HA 0.139 4.479 4.340 -0.000 0.000 0.195 105 R C -0.088 176.241 176.300 0.049 0.000 0.956 105 R CA 0.201 56.353 56.100 0.087 0.000 1.064 105 R CB 0.775 31.153 30.300 0.131 0.000 1.049 105 R HN -0.128 nan 8.270 nan 0.000 0.534 106 V N 3.278 123.225 119.914 0.056 0.000 2.348 106 V HA 0.198 4.318 4.120 -0.000 0.000 0.270 106 V C -1.786 174.301 176.094 -0.013 0.000 1.037 106 V CA -1.510 60.769 62.300 -0.035 0.000 0.872 106 V CB 1.405 33.200 31.823 -0.047 0.000 1.002 106 V HN 0.134 nan 8.190 nan 0.000 0.464 107 P HA -0.206 nan 4.420 nan 0.000 0.215 107 P C 1.860 179.141 177.300 -0.031 0.000 1.163 107 P CA 2.032 65.122 63.100 -0.017 0.000 0.894 107 P CB 0.125 31.814 31.700 -0.018 0.000 0.791 108 S N -1.765 113.903 115.700 -0.053 0.000 2.481 108 S HA -0.012 4.458 4.470 -0.000 0.000 0.231 108 S C 0.868 175.439 174.600 -0.048 0.000 0.996 108 S CA 0.234 58.392 58.200 -0.069 0.000 0.942 108 S CB -1.132 62.001 63.200 -0.113 0.000 0.768 108 S HN -0.116 nan 8.310 nan 0.000 0.520 109 V N 2.870 122.767 119.914 -0.028 0.000 2.389 109 V HA 0.247 4.367 4.120 -0.000 0.000 0.264 109 V C 0.734 176.819 176.094 -0.016 0.000 1.049 109 V CA -0.122 62.167 62.300 -0.018 0.000 0.932 109 V CB 0.608 32.434 31.823 0.005 0.000 1.011 109 V HN 0.486 nan 8.190 nan 0.000 0.475 110 E N 4.331 124.514 120.200 -0.028 0.000 2.290 110 E HA 0.260 4.610 4.350 -0.000 0.000 0.199 110 E C -0.106 176.477 176.600 -0.029 0.000 0.912 110 E CA 0.202 56.587 56.400 -0.024 0.000 0.924 110 E CB 0.810 30.493 29.700 -0.028 0.000 0.901 110 E HN 0.416 nan 8.360 nan 0.000 0.487 111 I N 1.952 122.495 120.570 -0.045 0.000 2.466 111 I HA 0.322 4.492 4.170 -0.000 0.000 0.289 111 I C -0.615 175.447 176.117 -0.092 0.000 1.026 111 I CA -0.835 60.429 61.300 -0.060 0.000 1.078 111 I CB 1.976 39.940 38.000 -0.061 0.000 1.249 111 I HN -0.145 nan 8.210 nan 0.000 0.429 112 V N 7.085 126.936 119.914 -0.106 0.000 2.864 112 V HA 0.705 4.825 4.120 -0.000 0.000 0.314 112 V C -0.850 175.102 176.094 -0.235 0.000 1.073 112 V CA -0.636 61.571 62.300 -0.155 0.000 0.956 112 V CB 2.728 34.505 31.823 -0.077 0.000 1.023 112 V HN 0.844 nan 8.190 nan 0.000 0.435 113 R N 5.992 126.247 120.500 -0.408 0.000 2.483 113 R HA 0.567 4.907 4.340 -0.000 0.000 0.303 113 R C -0.936 175.191 176.300 -0.288 0.000 0.987 113 R CA -0.520 55.322 56.100 -0.429 0.000 0.881 113 R CB 1.125 30.971 30.300 -0.757 0.000 1.177 113 R HN 0.658 nan 8.270 nan 0.000 0.451 114 M N 4.753 124.280 119.600 -0.120 0.000 2.233 114 M HA 0.303 4.783 4.480 -0.000 0.000 0.350 114 M C 0.223 176.533 176.300 0.016 0.000 1.176 114 M CA -0.428 54.853 55.300 -0.030 0.000 1.150 114 M CB 0.892 33.485 32.600 -0.012 0.000 1.530 114 M HN 0.587 nan 8.290 nan 0.000 0.459 115 V N 0.100 120.051 119.914 0.062 0.000 3.105 115 V HA 0.617 4.737 4.120 -0.000 0.000 0.311 115 V C 0.408 176.539 176.094 0.062 0.000 1.282 115 V CA -0.698 61.651 62.300 0.081 0.000 1.065 115 V CB 1.551 33.455 31.823 0.135 0.000 1.136 115 V HN 0.787 nan 8.190 nan 0.000 0.469 116 S N 0.484 116.219 115.700 0.058 0.000 2.524 116 S HA 0.355 4.825 4.470 -0.000 0.000 0.216 116 S C 0.582 175.217 174.600 0.059 0.000 0.987 116 S CA 0.547 58.778 58.200 0.052 0.000 0.909 116 S CB -0.279 62.948 63.200 0.046 0.000 0.781 116 S HN 1.380 nan 8.310 nan 0.000 0.521 117 S N -1.228 114.509 115.700 0.062 0.000 2.615 117 S HA 0.605 5.075 4.470 -0.000 0.000 0.269 117 S C 0.875 175.513 174.600 0.063 0.000 1.161 117 S CA -0.299 57.941 58.200 0.066 0.000 0.817 117 S CB 0.841 64.081 63.200 0.067 0.000 1.131 117 S HN 0.069 nan 8.310 nan 0.000 0.467 118 G N 0.803 109.645 108.800 0.070 0.000 2.422 118 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.218 118 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.218 118 G C 1.083 175.987 174.900 0.006 0.000 1.146 118 G CA 1.524 46.662 45.100 0.063 0.000 0.769 118 G HN 0.789 nan 8.290 nan 0.000 0.547 119 T N 0.653 115.191 114.554 -0.026 0.000 2.720 119 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 119 T C 2.187 176.804 174.700 -0.138 0.000 1.037 119 T CA 1.629 63.648 62.100 -0.133 0.000 1.144 119 T CB -0.153 68.582 68.868 -0.221 0.000 0.864 119 T HN 0.464 nan 8.240 nan 0.000 0.444 120 E N 0.479 120.633 120.200 -0.076 0.000 2.107 120 E HA 0.005 4.355 4.350 -0.000 0.000 0.191 120 E C 2.555 179.112 176.600 -0.072 0.000 0.982 120 E CA 0.760 57.120 56.400 -0.065 0.000 0.809 120 E CB -0.172 29.527 29.700 -0.003 0.000 0.756 120 E HN 0.456 nan 8.360 nan 0.000 0.459 121 A N 1.103 123.925 122.820 0.003 0.000 1.883 121 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 121 A C 2.472 180.000 177.584 -0.094 0.000 1.186 121 A CA 2.447 54.519 52.037 0.058 0.000 0.624 121 A CB -1.165 17.914 19.000 0.131 0.000 0.822 121 A HN 0.425 nan 8.150 nan 0.000 0.444 122 T N -2.751 111.751 114.554 -0.086 0.000 2.812 122 T HA -0.119 4.231 4.350 -0.000 0.000 0.264 122 T C 1.965 176.552 174.700 -0.189 0.000 1.042 122 T CA 1.595 63.621 62.100 -0.122 0.000 1.140 122 T CB -0.447 68.369 68.868 -0.087 0.000 0.870 122 T HN 0.385 nan 8.240 nan 0.000 0.445 123 M N 1.633 121.118 119.600 -0.191 0.000 2.080 123 M HA -0.126 4.354 4.480 -0.000 0.000 0.260 123 M C 2.248 178.401 176.300 -0.245 0.000 1.068 123 M CA 1.935 57.119 55.300 -0.194 0.000 1.109 123 M CB -0.382 32.113 32.600 -0.175 0.000 1.342 123 M HN 0.293 nan 8.290 nan 0.000 0.405 124 S N 0.783 116.261 115.700 -0.369 0.000 2.383 124 S HA -0.044 4.426 4.470 -0.000 0.000 0.227 124 S C 2.047 176.249 174.600 -0.662 0.000 1.026 124 S CA 1.156 58.995 58.200 -0.603 0.000 0.981 124 S CB -0.575 61.978 63.200 -1.079 0.000 0.818 124 S HN 0.695 nan 8.310 nan 0.000 0.472 125 A N 1.374 123.849 122.820 -0.574 0.000 1.902 125 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 125 A C 2.085 179.567 177.584 -0.170 0.000 1.181 125 A CA 1.154 53.015 52.037 -0.293 0.000 0.623 125 A CB -0.700 18.213 19.000 -0.144 0.000 0.818 125 A HN 0.369 nan 8.150 nan 0.000 0.443 126 L N -0.422 120.698 121.223 -0.171 0.000 2.046 126 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 126 L C 2.612 179.426 176.870 -0.093 0.000 1.077 126 L CA 2.187 56.954 54.840 -0.122 0.000 0.747 126 L CB -0.574 41.406 42.059 -0.132 0.000 0.896 126 L HN 0.485 nan 8.230 nan 0.000 0.432 127 R N -0.887 119.545 120.500 -0.113 0.000 2.075 127 R HA -0.182 4.158 4.340 -0.000 0.000 0.232 127 R C 2.265 178.546 176.300 -0.032 0.000 1.126 127 R CA 1.456 57.514 56.100 -0.070 0.000 0.963 127 R CB -0.383 29.870 30.300 -0.080 0.000 0.858 127 R HN 0.251 nan 8.270 nan 0.000 0.435 128 L N 0.939 122.129 121.223 -0.055 0.000 1.989 128 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 128 L C 2.296 179.205 176.870 0.066 0.000 1.071 128 L CA 2.312 57.163 54.840 0.019 0.000 0.749 128 L CB -1.000 41.071 42.059 0.020 0.000 0.890 128 L HN 0.255 nan 8.230 nan 0.000 0.431 129 A N -0.467 122.371 122.820 0.029 0.000 1.917 129 A HA -0.256 4.063 4.320 -0.000 0.000 0.219 129 A C 2.455 180.092 177.584 0.087 0.000 1.182 129 A CA 2.100 54.177 52.037 0.065 0.000 0.633 129 A CB -0.600 18.414 19.000 0.022 0.000 0.819 129 A HN 0.551 nan 8.150 nan 0.000 0.448 130 R N -1.318 119.205 120.500 0.038 0.000 2.090 130 R HA -0.055 4.285 4.340 -0.000 0.000 0.228 130 R C 2.400 178.724 176.300 0.041 0.000 1.110 130 R CA 0.977 57.093 56.100 0.025 0.000 0.973 130 R CB -0.463 29.832 30.300 -0.009 0.000 0.869 130 R HN 0.543 nan 8.270 nan 0.000 0.440 131 G N -0.209 108.626 108.800 0.059 0.000 2.403 131 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.216 131 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.216 131 G C 1.222 176.175 174.900 0.089 0.000 1.154 131 G CA 0.216 45.355 45.100 0.065 0.000 0.784 131 G HN 0.302 nan 8.290 nan 0.000 0.538 132 Y N 2.354 122.662 120.300 0.015 0.000 2.200 132 Y HA -0.132 4.418 4.550 -0.000 0.000 0.290 132 Y C 3.040 178.952 175.900 0.019 0.000 1.137 132 Y CA 2.279 60.391 58.100 0.020 0.000 1.163 132 Y CB -0.206 38.268 38.460 0.024 0.000 0.988 132 Y HN 0.253 nan 8.280 nan 0.000 0.518 133 T N -3.508 111.075 114.554 0.047 0.000 3.081 133 T HA 0.219 4.569 4.350 -0.000 0.000 0.255 133 T C 1.648 176.323 174.700 -0.042 0.000 1.113 133 T CA 0.498 62.586 62.100 -0.020 0.000 1.082 133 T CB -0.545 68.376 68.868 0.089 0.000 0.939 133 T HN 0.638 nan 8.240 nan 0.000 0.506 134 G N 1.744 110.527 108.800 -0.028 0.000 2.225 134 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.267 134 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.267 134 G C 0.029 174.924 174.900 -0.008 0.000 1.024 134 G CA 0.195 45.282 45.100 -0.022 0.000 0.784 134 G HN 0.706 nan 8.290 nan 0.000 0.507 135 R N -1.179 119.322 120.500 0.002 0.000 2.873 135 R HA 0.537 4.876 4.340 -0.000 0.000 0.264 135 R C 0.681 176.972 176.300 -0.014 0.000 1.026 135 R CA -0.929 55.171 56.100 0.001 0.000 1.002 135 R CB 0.733 31.043 30.300 0.017 0.000 1.174 135 R HN 0.064 nan 8.270 nan 0.000 0.488 136 N N 0.625 119.307 118.700 -0.031 0.000 2.414 136 N HA 0.030 4.770 4.740 -0.000 0.000 0.177 136 N C -0.537 174.924 175.510 -0.082 0.000 1.062 136 N CA 0.707 53.726 53.050 -0.051 0.000 0.890 136 N CB 0.569 39.024 38.487 -0.054 0.000 1.070 136 N HN 0.285 nan 8.380 nan 0.000 0.454 137 K N 1.136 121.476 120.400 -0.099 0.000 2.172 137 K HA 0.379 4.699 4.320 -0.000 0.000 0.276 137 K C -0.410 176.100 176.600 -0.149 0.000 1.013 137 K CA -0.339 55.854 56.287 -0.156 0.000 0.913 137 K CB 1.987 34.356 32.500 -0.217 0.000 1.055 137 K HN -0.125 nan 8.250 nan 0.000 0.461 138 I N 3.720 124.190 120.570 -0.166 0.000 2.465 138 I HA 0.222 4.391 4.170 -0.000 0.000 0.291 138 I C -0.659 175.343 176.117 -0.192 0.000 1.014 138 I CA -0.976 60.234 61.300 -0.149 0.000 1.093 138 I CB 1.504 39.429 38.000 -0.125 0.000 1.267 138 I HN 0.471 nan 8.210 nan 0.000 0.431 139 L N 8.466 129.572 121.223 -0.194 0.000 2.264 139 L HA 0.446 4.786 4.340 -0.000 0.000 0.289 139 L C -0.018 176.694 176.870 -0.264 0.000 1.044 139 L CA 0.067 54.753 54.840 -0.256 0.000 0.807 139 L CB 0.454 42.348 42.059 -0.275 0.000 1.192 139 L HN 0.709 nan 8.230 nan 0.000 0.425 140 K N 3.228 123.449 120.400 -0.298 0.000 2.316 140 K HA 0.659 4.978 4.320 -0.000 0.000 0.234 140 K C -1.459 174.899 176.600 -0.404 0.000 1.054 140 K CA -0.713 55.460 56.287 -0.190 0.000 0.879 140 K CB 1.324 33.836 32.500 0.019 0.000 1.252 140 K HN 0.325 nan 8.250 nan 0.000 0.471 141 F N 0.667 120.737 119.950 0.200 0.000 2.495 141 F HA 0.258 4.785 4.527 -0.000 0.000 0.327 141 F C 0.255 176.114 175.800 0.099 0.000 1.103 141 F CA -0.808 57.313 58.000 0.202 0.000 0.949 141 F CB 1.967 41.194 39.000 0.379 0.000 1.142 141 F HN 0.609 nan 8.300 nan 0.000 0.457 142 E N 1.657 121.988 120.200 0.218 0.000 2.493 142 E HA 0.253 4.603 4.350 -0.000 0.000 0.255 142 E C 1.037 177.602 176.600 -0.058 0.000 0.999 142 E CA 1.232 57.673 56.400 0.067 0.000 0.934 142 E CB 0.274 30.059 29.700 0.142 0.000 0.940 142 E HN 0.965 nan 8.360 nan 0.000 0.473 143 G N 3.302 111.827 108.800 -0.457 0.000 2.213 143 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.236 143 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.236 143 G C 0.179 174.821 174.900 -0.429 0.000 0.991 143 G CA -0.003 44.642 45.100 -0.759 0.000 0.629 143 G HN 0.635 nan 8.290 nan 0.000 0.517 144 C N 0.832 119.985 119.300 -0.245 0.000 2.452 144 C HA 0.654 5.114 4.460 -0.000 0.000 0.379 144 C C 0.163 174.919 174.990 -0.390 0.000 1.275 144 C CA -0.557 58.303 59.018 -0.262 0.000 2.056 144 C CB -0.134 27.570 27.740 -0.059 0.000 2.506 144 C HN 0.385 nan 8.230 nan 0.000 0.560 145 Y N 2.973 122.931 120.300 -0.569 0.000 2.352 145 Y HA 0.424 4.974 4.550 0.000 0.000 0.339 145 Y C 0.946 176.503 175.900 -0.571 0.000 0.992 145 Y CA -0.169 57.642 58.100 -0.482 0.000 1.100 145 Y CB 0.577 38.863 38.460 -0.290 0.000 1.192 145 Y HN 0.794 nan 8.280 nan 0.000 0.458 146 H N 3.448 122.131 119.070 -0.645 0.000 3.233 146 H HA 0.430 4.986 4.556 -0.000 0.000 0.263 146 H C 0.602 175.581 175.328 -0.580 0.000 1.168 146 H CA 0.388 56.177 56.048 -0.431 0.000 1.159 146 H CB 0.964 30.584 29.762 -0.237 0.000 1.593 146 H HN 0.848 nan 8.280 nan 0.000 0.580 147 G N 0.977 109.102 108.800 -1.125 0.000 2.381 147 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.672 147 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.672 147 G C -0.189 174.456 174.900 -0.424 0.000 1.324 147 G CA -0.379 44.337 45.100 -0.641 0.000 0.975 147 G HN 0.513 nan 8.290 nan 0.000 0.593 148 H N -0.900 118.104 119.070 -0.110 0.000 2.555 148 H HA 0.500 5.057 4.556 0.001 0.000 0.283 148 H C 1.306 176.608 175.328 -0.044 0.000 1.037 148 H CA 0.530 56.564 56.048 -0.023 0.000 1.169 148 H CB -0.063 29.729 29.762 0.051 0.000 1.375 148 H HN 0.909 nan 8.280 nan 0.000 0.582 149 G N 0.533 109.129 108.800 -0.341 0.000 2.353 149 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.239 149 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.239 149 G C 0.288 175.120 174.900 -0.113 0.000 1.295 149 G CA -0.027 44.927 45.100 -0.243 0.000 0.884 149 G HN 0.463 nan 8.290 nan 0.000 0.537 150 D N 1.714 122.074 120.400 -0.068 0.000 2.123 150 D HA -0.210 4.430 4.640 -0.000 0.000 0.196 150 D C 2.722 178.990 176.300 -0.053 0.000 0.992 150 D CA 1.915 55.894 54.000 -0.035 0.000 0.833 150 D CB -0.081 40.706 40.800 -0.022 0.000 0.954 150 D HN 0.548 nan 8.370 nan 0.000 0.455 151 S N 0.053 115.711 115.700 -0.070 0.000 2.493 151 S HA -0.106 4.364 4.470 -0.000 0.000 0.243 151 S C 1.936 176.487 174.600 -0.083 0.000 0.991 151 S CA 0.664 58.817 58.200 -0.078 0.000 0.957 151 S CB -0.204 62.943 63.200 -0.087 0.000 0.756 151 S HN 0.241 nan 8.310 nan 0.000 0.521 152 L N -0.423 120.751 121.223 -0.083 0.000 2.749 152 L HA 0.427 4.767 4.340 -0.000 0.000 0.242 152 L C 0.365 177.201 176.870 -0.057 0.000 1.103 152 L CA -0.002 54.795 54.840 -0.072 0.000 0.906 152 L CB 0.216 42.222 42.059 -0.089 0.000 1.228 152 L HN 0.199 nan 8.230 nan 0.000 0.517 153 L N 3.447 124.642 121.223 -0.047 0.000 2.382 153 L HA 0.237 4.577 4.340 -0.000 0.000 0.259 153 L C -0.403 176.451 176.870 -0.026 0.000 1.291 153 L CA 0.110 54.938 54.840 -0.020 0.000 1.176 153 L CB -0.686 41.378 42.059 0.008 0.000 1.373 153 L HN 0.209 nan 8.230 nan 0.000 0.426 154 I N -0.160 120.390 120.570 -0.033 0.000 2.994 154 I HA 0.667 4.837 4.170 -0.000 0.000 0.306 154 I C -0.818 175.275 176.117 -0.039 0.000 1.195 154 I CA -0.935 60.339 61.300 -0.042 0.000 1.001 154 I CB 2.305 40.269 38.000 -0.060 0.000 1.244 154 I HN 0.190 nan 8.210 nan 0.000 0.437 155 K N 2.794 123.170 120.400 -0.040 0.000 2.409 155 K HA 0.894 5.214 4.320 -0.000 0.000 0.252 155 K C -0.926 175.651 176.600 -0.038 0.000 1.036 155 K CA -1.028 55.239 56.287 -0.033 0.000 0.871 155 K CB 1.792 34.281 32.500 -0.018 0.000 1.374 155 K HN 0.823 nan 8.250 nan 0.000 0.459 156 A N 0.803 123.609 122.820 -0.023 0.000 2.477 156 A HA 0.436 4.756 4.320 -0.000 0.000 0.246 156 A C 0.566 178.138 177.584 -0.021 0.000 1.078 156 A CA 0.332 52.355 52.037 -0.023 0.000 0.770 156 A CB -0.291 18.710 19.000 0.001 0.000 1.011 156 A HN 0.770 nan 8.150 nan 0.000 0.494 157 G N 0.794 109.576 108.800 -0.030 0.000 2.621 157 G HA2 0.422 4.381 3.960 -0.000 0.000 0.271 157 G HA3 0.422 4.381 3.960 -0.000 0.000 0.271 157 G C 0.388 175.284 174.900 -0.005 0.000 1.236 157 G CA 0.183 45.269 45.100 -0.023 0.000 0.958 157 G HN 1.425 nan 8.290 nan 0.000 0.512 158 S N -0.656 115.043 115.700 -0.002 0.000 2.429 158 S HA 0.571 5.041 4.470 -0.000 0.000 0.292 158 S C 0.493 175.101 174.600 0.013 0.000 1.183 158 S CA 0.055 58.258 58.200 0.005 0.000 1.088 158 S CB 0.148 63.350 63.200 0.003 0.000 1.018 158 S HN 2.081 nan 8.310 nan 0.000 0.511 159 G N 1.322 110.132 108.800 0.017 0.000 2.351 159 G HA2 0.126 4.086 3.960 -0.000 0.000 0.353 159 G HA3 0.126 4.086 3.960 -0.000 0.000 0.353 159 G C -0.096 174.821 174.900 0.028 0.000 1.358 159 G CA -0.399 44.716 45.100 0.024 0.000 0.995 159 G HN 0.638 nan 8.290 nan 0.000 0.611 160 V N 0.513 120.446 119.914 0.031 0.000 2.302 160 V HA 0.396 4.516 4.120 -0.000 0.000 0.243 160 V C 1.883 178.004 176.094 0.045 0.000 1.036 160 V CA 2.461 64.781 62.300 0.034 0.000 1.020 160 V CB -0.588 31.252 31.823 0.028 0.000 0.657 160 V HN 1.734 nan 8.190 nan 0.000 0.453 161 A N 0.536 123.390 122.820 0.056 0.000 2.304 161 A HA 0.674 4.994 4.320 -0.000 0.000 0.323 161 A C -0.084 177.583 177.584 0.139 0.000 1.195 161 A CA -0.044 52.047 52.037 0.091 0.000 0.826 161 A CB 0.559 19.608 19.000 0.081 0.000 1.184 161 A HN 0.445 nan 8.150 nan 0.000 0.496 162 T N 1.136 115.758 114.554 0.113 0.000 3.172 162 T HA 0.475 4.825 4.350 -0.000 0.000 0.320 162 T C -0.511 174.134 174.700 -0.091 0.000 1.085 162 T CA -0.581 61.549 62.100 0.050 0.000 1.052 162 T CB 0.453 69.328 68.868 0.012 0.000 1.107 162 T HN 0.476 nan 8.240 nan 0.000 0.458 163 L N 2.897 123.995 121.223 -0.209 0.000 2.499 163 L HA 0.445 4.785 4.340 -0.000 0.000 0.273 163 L C 1.475 178.237 176.870 -0.180 0.000 1.195 163 L CA -0.130 54.505 54.840 -0.341 0.000 0.882 163 L CB 0.068 41.899 42.059 -0.381 0.000 1.133 163 L HN 1.001 nan 8.230 nan 0.000 0.483 164 G N 4.007 112.703 108.800 -0.173 0.000 2.553 164 G HA2 0.545 4.505 3.960 -0.000 0.000 0.278 164 G HA3 0.545 4.505 3.960 -0.000 0.000 0.278 164 G C -0.498 174.350 174.900 -0.085 0.000 1.349 164 G CA -0.648 44.385 45.100 -0.112 0.000 1.037 164 G HN 0.433 nan 8.290 nan 0.000 0.508 165 L N 0.375 121.561 121.223 -0.062 0.000 2.333 165 L HA 0.413 4.753 4.340 -0.000 0.000 0.263 165 L C -2.143 174.702 176.870 -0.042 0.000 1.014 165 L CA -2.156 52.655 54.840 -0.047 0.000 0.820 165 L CB 2.811 44.850 42.059 -0.033 0.000 1.352 165 L HN 0.317 nan 8.230 nan 0.000 0.421 166 P HA -0.014 nan 4.420 nan 0.000 0.268 166 P C -0.793 176.495 177.300 -0.021 0.000 1.204 166 P CA 0.157 63.240 63.100 -0.028 0.000 0.768 166 P CB 0.917 32.603 31.700 -0.023 0.000 0.842 167 D N 0.573 120.962 120.400 -0.017 0.000 2.463 167 D HA 0.203 4.842 4.640 -0.000 0.000 0.224 167 D C -0.420 175.878 176.300 -0.003 0.000 1.174 167 D CA -0.052 53.941 54.000 -0.012 0.000 0.829 167 D CB 0.103 40.895 40.800 -0.014 0.000 0.993 167 D HN 0.235 nan 8.370 nan 0.000 0.497 168 S N -0.527 115.171 115.700 -0.002 0.000 2.580 168 S HA 0.419 4.889 4.470 -0.000 0.000 0.281 168 S C -2.824 171.777 174.600 0.001 0.000 1.129 168 S CA -1.117 57.084 58.200 0.002 0.000 0.862 168 S CB 0.766 63.973 63.200 0.013 0.000 1.090 168 S HN -0.157 nan 8.310 nan 0.000 0.451 169 P HA 0.444 nan 4.420 nan 0.000 0.269 169 P C 0.965 178.267 177.300 0.003 0.000 1.209 169 P CA 1.250 64.350 63.100 0.000 0.000 0.776 169 P CB 0.410 32.110 31.700 -0.000 0.000 0.876 170 G N 0.507 109.308 108.800 0.002 0.000 2.234 170 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.235 170 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.235 170 G C 0.154 175.057 174.900 0.005 0.000 0.997 170 G CA -0.139 44.964 45.100 0.005 0.000 0.623 170 G HN 0.585 nan 8.290 nan 0.000 0.514 171 V N 3.340 123.256 119.914 0.002 0.000 2.599 171 V HA 0.328 4.448 4.120 -0.000 0.000 0.300 171 V C -1.014 175.074 176.094 -0.009 0.000 1.034 171 V CA -0.523 61.775 62.300 -0.003 0.000 1.115 171 V CB 0.919 32.737 31.823 -0.008 0.000 0.934 171 V HN 0.249 nan 8.190 nan 0.000 0.485 172 P HA 0.035 nan 4.420 nan 0.000 0.265 172 P C -0.299 176.989 177.300 -0.020 0.000 1.187 172 P CA -0.093 62.998 63.100 -0.015 0.000 0.766 172 P CB 0.342 32.031 31.700 -0.018 0.000 0.820 173 E N 2.566 122.755 120.200 -0.019 0.000 2.558 173 E HA 0.208 4.558 4.350 -0.000 0.000 0.255 173 E C 1.116 177.699 176.600 -0.028 0.000 0.968 173 E CA 1.230 57.617 56.400 -0.022 0.000 0.939 173 E CB -0.834 28.855 29.700 -0.018 0.000 0.921 173 E HN 0.708 nan 8.360 nan 0.000 0.477 174 G N 4.717 113.497 108.800 -0.034 0.000 2.305 174 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.287 174 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.287 174 G C 0.653 175.522 174.900 -0.051 0.000 1.036 174 G CA 0.457 45.531 45.100 -0.044 0.000 0.887 174 G HN 0.661 nan 8.290 nan 0.000 0.505 175 I N -0.879 119.661 120.570 -0.049 0.000 2.852 175 I HA 0.225 4.395 4.170 -0.000 0.000 0.264 175 I C 2.467 178.542 176.117 -0.071 0.000 1.179 175 I CA 1.285 62.552 61.300 -0.055 0.000 1.480 175 I CB 0.007 37.980 38.000 -0.045 0.000 1.111 175 I HN 0.335 nan 8.210 nan 0.000 0.441 176 A N 0.025 122.802 122.820 -0.072 0.000 2.178 176 A HA -0.019 4.301 4.320 -0.000 0.000 0.211 176 A C 2.026 179.541 177.584 -0.114 0.000 1.157 176 A CA 0.320 52.305 52.037 -0.087 0.000 0.780 176 A CB -0.177 18.781 19.000 -0.071 0.000 0.828 176 A HN 0.133 nan 8.150 nan 0.000 0.476 177 K N 0.979 121.314 120.400 -0.108 0.000 2.152 177 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 177 K C 0.035 176.522 176.600 -0.188 0.000 1.048 177 K CA 0.805 57.011 56.287 -0.134 0.000 0.933 177 K CB -0.213 32.227 32.500 -0.101 0.000 0.721 177 K HN 0.433 nan 8.250 nan 0.000 0.447 178 N N 1.394 119.994 118.700 -0.166 0.000 2.714 178 N HA 0.010 4.750 4.740 -0.000 0.000 0.298 178 N C -0.603 174.788 175.510 -0.198 0.000 1.298 178 N CA 0.120 53.055 53.050 -0.192 0.000 1.007 178 N CB 0.881 39.286 38.487 -0.136 0.000 1.318 178 N HN 0.153 nan 8.380 nan 0.000 0.516 179 T N -2.192 112.228 114.554 -0.222 0.000 3.071 179 T HA 0.563 4.913 4.350 -0.000 0.000 0.311 179 T C -0.504 174.056 174.700 -0.233 0.000 1.042 179 T CA -0.653 61.324 62.100 -0.206 0.000 1.028 179 T CB 0.947 69.726 68.868 -0.148 0.000 1.068 179 T HN -0.056 nan 8.240 nan 0.000 0.451 180 I N 2.712 123.132 120.570 -0.250 0.000 2.412 180 I HA 0.530 4.700 4.170 -0.000 0.000 0.296 180 I C 0.071 176.067 176.117 -0.202 0.000 0.987 180 I CA -0.610 60.549 61.300 -0.235 0.000 1.180 180 I CB 2.241 40.091 38.000 -0.250 0.000 1.340 180 I HN 0.695 nan 8.210 nan 0.000 0.455 181 T N 5.783 120.249 114.554 -0.147 0.000 2.815 181 T HA 0.557 4.907 4.350 -0.000 0.000 0.289 181 T C -0.344 174.309 174.700 -0.079 0.000 1.000 181 T CA -0.600 61.424 62.100 -0.126 0.000 0.958 181 T CB 1.240 70.066 68.868 -0.070 0.000 0.944 181 T HN 0.410 nan 8.240 nan 0.000 0.442 182 V N 1.574 121.425 119.914 -0.105 0.000 2.960 182 V HA 0.807 4.927 4.120 -0.000 0.000 0.315 182 V C -2.992 173.204 176.094 0.171 0.000 1.087 182 V CA -3.477 58.837 62.300 0.023 0.000 0.982 182 V CB 1.484 33.329 31.823 0.037 0.000 1.039 182 V HN 0.433 nan 8.190 nan 0.000 0.437 183 P HA 0.120 nan 4.420 nan 0.000 0.267 183 P C -0.917 176.583 177.300 0.335 0.000 1.200 183 P CA 0.220 63.454 63.100 0.224 0.000 0.772 183 P CB 0.027 31.802 31.700 0.124 0.000 0.855 184 Y N 3.222 123.604 120.300 0.136 0.000 2.578 184 Y HA -0.075 4.475 4.550 0.000 0.000 0.339 184 Y C 1.414 177.015 175.900 -0.498 0.000 1.231 184 Y CA 1.091 59.102 58.100 -0.148 0.000 1.461 184 Y CB -0.065 38.305 38.460 -0.150 0.000 1.323 184 Y HN 0.484 nan 8.280 nan 0.000 0.590 185 N N 1.936 119.528 118.700 -1.847 0.000 2.753 185 N HA -0.266 4.474 4.740 -0.000 0.000 0.251 185 N C -1.244 173.880 175.510 -0.644 0.000 1.097 185 N CA 1.455 53.541 53.050 -1.607 0.000 0.786 185 N CB -1.128 36.880 38.487 -0.797 0.000 1.137 185 N HN 0.634 nan 8.380 nan 0.000 0.566 186 D N 0.675 120.887 120.400 -0.313 0.000 2.485 186 D HA 0.241 4.881 4.640 -0.000 0.000 0.256 186 D C 1.076 177.486 176.300 0.185 0.000 1.141 186 D CA -0.518 53.481 54.000 -0.001 0.000 0.942 186 D CB 0.118 40.955 40.800 0.062 0.000 1.003 186 D HN 0.052 nan 8.370 nan 0.000 0.507 187 L N 2.595 123.935 121.223 0.194 0.000 2.141 187 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 187 L C 1.895 178.866 176.870 0.168 0.000 1.094 187 L CA 1.521 56.511 54.840 0.250 0.000 0.763 187 L CB -0.002 42.176 42.059 0.198 0.000 0.908 187 L HN 0.261 nan 8.230 nan 0.000 0.437 188 E N -0.787 119.483 120.200 0.117 0.000 2.072 188 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 188 E C 2.258 178.919 176.600 0.101 0.000 0.985 188 E CA 1.356 57.809 56.400 0.089 0.000 0.801 188 E CB -0.314 29.421 29.700 0.059 0.000 0.750 188 E HN 0.445 nan 8.360 nan 0.000 0.452 189 S N 0.556 116.326 115.700 0.117 0.000 2.423 189 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 189 S C 2.212 176.900 174.600 0.146 0.000 1.014 189 S CA 0.622 58.890 58.200 0.114 0.000 0.965 189 S CB -0.035 63.231 63.200 0.111 0.000 0.785 189 S HN 0.044 nan 8.310 nan 0.000 0.495 190 V N 2.007 122.051 119.914 0.217 0.000 2.307 190 V HA -0.179 3.940 4.120 -0.000 0.000 0.245 190 V C 2.221 178.491 176.094 0.293 0.000 1.045 190 V CA 1.578 64.049 62.300 0.286 0.000 1.024 190 V CB -0.535 31.506 31.823 0.363 0.000 0.651 190 V HN 0.426 nan 8.190 nan 0.000 0.449 191 K N -0.269 120.239 120.400 0.179 0.000 2.063 191 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 191 K C 2.149 178.818 176.600 0.115 0.000 1.048 191 K CA 1.201 57.565 56.287 0.128 0.000 0.928 191 K CB -0.329 32.223 32.500 0.088 0.000 0.713 191 K HN 0.210 nan 8.250 nan 0.000 0.442 192 L N 0.913 122.189 121.223 0.088 0.000 2.056 192 L HA -0.095 4.244 4.340 -0.000 0.000 0.207 192 L C 2.326 179.193 176.870 -0.005 0.000 1.078 192 L CA 1.701 56.561 54.840 0.034 0.000 0.749 192 L CB -1.187 40.891 42.059 0.032 0.000 0.901 192 L HN 0.151 nan 8.230 nan 0.000 0.433 193 A N -0.901 121.947 122.820 0.046 0.000 1.902 193 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 193 A C 2.064 179.570 177.584 -0.130 0.000 1.181 193 A CA 1.573 53.620 52.037 0.017 0.000 0.623 193 A CB -0.811 18.195 19.000 0.010 0.000 0.818 193 A HN 0.379 nan 8.150 nan 0.000 0.443 194 F N -0.112 119.706 119.950 -0.221 0.000 2.206 194 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 194 F C 2.677 178.184 175.800 -0.488 0.000 1.090 194 F CA 1.630 59.310 58.000 -0.532 0.000 1.323 194 F CB -0.467 37.979 39.000 -0.925 0.000 1.028 194 F HN 0.256 nan 8.300 nan 0.000 0.492 195 Q N -0.258 119.496 119.800 -0.077 0.000 2.173 195 Q HA -0.257 4.082 4.340 -0.000 0.000 0.208 195 Q C 2.087 177.997 176.000 -0.151 0.000 0.989 195 Q CA 1.633 57.425 55.803 -0.018 0.000 0.872 195 Q CB -0.152 28.581 28.738 -0.010 0.000 0.909 195 Q HN 0.415 nan 8.270 nan 0.000 0.420 196 Q N -1.363 118.205 119.800 -0.388 0.000 2.259 196 Q HA 0.018 4.357 4.340 -0.000 0.000 0.201 196 Q C 1.073 176.579 176.000 -0.823 0.000 0.938 196 Q CA 0.998 56.351 55.803 -0.751 0.000 0.872 196 Q CB 0.432 28.419 28.738 -1.252 0.000 0.971 196 Q HN 0.408 nan 8.270 nan 0.000 0.494 197 F N -1.309 118.556 119.950 -0.142 0.000 2.798 197 F HA 0.374 4.901 4.527 0.000 0.000 0.328 197 F C 1.798 177.472 175.800 -0.209 0.000 1.098 197 F CA -0.139 57.761 58.000 -0.166 0.000 1.172 197 F CB -0.357 38.516 39.000 -0.212 0.000 1.072 197 F HN 0.003 nan 8.300 nan 0.000 0.555 198 G N 1.552 110.262 108.800 -0.150 0.000 2.556 198 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.220 198 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.220 198 G C 1.529 176.547 174.900 0.195 0.000 1.156 198 G CA 1.595 46.592 45.100 -0.172 0.000 0.766 198 G HN 0.584 nan 8.290 nan 0.000 0.583 199 E N -0.422 119.926 120.200 0.246 0.000 2.478 199 E HA -0.006 4.344 4.350 -0.000 0.000 0.198 199 E C 1.286 177.957 176.600 0.117 0.000 1.046 199 E CA 1.099 57.625 56.400 0.210 0.000 0.870 199 E CB 0.008 29.807 29.700 0.165 0.000 0.818 199 E HN 0.375 nan 8.360 nan 0.000 0.527 200 D N 0.259 120.706 120.400 0.079 0.000 2.431 200 D HA 0.166 4.806 4.640 -0.000 0.000 0.213 200 D C -0.239 176.052 176.300 -0.014 0.000 1.130 200 D CA -0.297 53.724 54.000 0.035 0.000 0.834 200 D CB 0.309 41.128 40.800 0.033 0.000 0.985 200 D HN 0.148 nan 8.370 nan 0.000 0.504 201 I N 1.339 121.885 120.570 -0.041 0.000 2.347 201 I HA 0.151 4.321 4.170 -0.000 0.000 0.294 201 I C 1.538 177.656 176.117 0.002 0.000 1.090 201 I CA -0.409 60.819 61.300 -0.121 0.000 1.314 201 I CB 1.489 39.237 38.000 -0.419 0.000 1.423 201 I HN -0.030 nan 8.210 nan 0.000 0.503 202 A N 5.423 128.236 122.820 -0.011 0.000 1.930 202 A HA 0.271 4.591 4.320 -0.000 0.000 0.217 202 A C 1.147 178.769 177.584 0.063 0.000 1.175 202 A CA 1.312 53.369 52.037 0.034 0.000 0.627 202 A CB -0.184 18.821 19.000 0.007 0.000 0.815 202 A HN 0.799 nan 8.150 nan 0.000 0.443 203 G N -2.939 105.883 108.800 0.037 0.000 2.547 203 G HA2 0.468 4.428 3.960 -0.000 0.000 0.291 203 G HA3 0.468 4.428 3.960 -0.000 0.000 0.291 203 G C -1.739 173.194 174.900 0.056 0.000 1.471 203 G CA -0.197 44.944 45.100 0.068 0.000 0.798 203 G HN 0.409 nan 8.290 nan 0.000 0.504 204 V N 1.407 121.393 119.914 0.121 0.000 2.378 204 V HA 0.523 4.643 4.120 -0.000 0.000 0.288 204 V C -0.014 176.165 176.094 0.141 0.000 1.016 204 V CA -0.642 61.744 62.300 0.143 0.000 0.840 204 V CB 1.302 33.293 31.823 0.281 0.000 0.994 204 V HN 0.716 nan 8.190 nan 0.000 0.431 205 I N 5.529 126.138 120.570 0.065 0.000 2.392 205 I HA 0.756 4.926 4.170 -0.000 0.000 0.295 205 I C -0.875 175.377 176.117 0.225 0.000 0.985 205 I CA -0.271 61.029 61.300 -0.001 0.000 1.221 205 I CB 1.579 39.369 38.000 -0.350 0.000 1.366 205 I HN 0.480 nan 8.210 nan 0.000 0.467 206 V N 6.867 126.943 119.914 0.271 0.000 2.969 206 V HA 0.351 4.471 4.120 -0.000 0.000 0.304 206 V C -1.049 175.173 176.094 0.213 0.000 1.192 206 V CA -0.524 62.004 62.300 0.379 0.000 0.962 206 V CB 2.450 34.376 31.823 0.172 0.000 1.045 206 V HN 0.787 nan 8.190 nan 0.000 0.428 207 E N 7.563 127.919 120.200 0.260 0.000 2.129 207 E HA 0.259 4.609 4.350 -0.000 0.000 0.283 207 E C -1.726 174.859 176.600 -0.025 0.000 1.080 207 E CA -1.617 54.832 56.400 0.081 0.000 0.867 207 E CB 1.389 31.114 29.700 0.043 0.000 1.056 207 E HN 0.557 nan 8.360 nan 0.000 0.404 208 P HA -0.113 nan 4.420 nan 0.000 0.221 208 P C 0.169 177.428 177.300 -0.069 0.000 1.145 208 P CA 0.841 63.677 63.100 -0.439 0.000 0.795 208 P CB 0.377 31.698 31.700 -0.632 0.000 0.775 209 V N 0.133 120.076 119.914 0.048 0.000 2.488 209 V HA 0.483 4.603 4.120 -0.000 0.000 0.293 209 V C 0.105 176.202 176.094 0.005 0.000 1.027 209 V CA -1.441 60.921 62.300 0.103 0.000 0.862 209 V CB 1.327 33.252 31.823 0.170 0.000 1.008 209 V HN 0.041 nan 8.190 nan 0.000 0.428 210 A N 3.329 126.065 122.820 -0.140 0.000 2.520 210 A HA 0.552 4.872 4.320 -0.000 0.000 0.245 210 A C 1.231 178.744 177.584 -0.119 0.000 1.072 210 A CA 0.754 52.618 52.037 -0.288 0.000 0.761 210 A CB 0.302 18.877 19.000 -0.708 0.000 1.004 210 A HN 1.282 nan 8.150 nan 0.000 0.499 211 G N 0.880 109.638 108.800 -0.069 0.000 3.443 211 G HA2 0.085 4.045 3.960 -0.000 0.000 0.252 211 G HA3 0.085 4.045 3.960 -0.000 0.000 0.252 211 G C 0.477 175.381 174.900 0.006 0.000 1.015 211 G CA -0.116 44.972 45.100 -0.021 0.000 0.891 211 G HN 0.677 nan 8.290 nan 0.000 0.510 212 N N 0.879 119.558 118.700 -0.035 0.000 2.184 212 N HA 0.108 4.848 4.740 -0.000 0.000 0.206 212 N C 1.220 176.693 175.510 -0.062 0.000 1.151 212 N CA 0.146 53.159 53.050 -0.062 0.000 0.878 212 N CB 0.533 38.964 38.487 -0.093 0.000 1.014 212 N HN 0.526 nan 8.380 nan 0.000 0.512 213 M N -1.664 117.944 119.600 0.014 0.000 2.911 213 M HA 0.465 4.945 4.480 -0.000 0.000 0.381 213 M C 0.308 176.871 176.300 0.440 0.000 1.287 213 M CA -0.571 54.867 55.300 0.229 0.000 0.858 213 M CB 0.930 33.595 32.600 0.108 0.000 1.385 213 M HN -0.098 nan 8.290 nan 0.000 0.504 214 G N 0.605 109.562 108.800 0.261 0.000 2.795 214 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.664 214 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.664 214 G C -0.837 174.134 174.900 0.119 0.000 1.381 214 G CA -0.741 44.424 45.100 0.109 0.000 0.853 214 G HN 0.375 nan 8.290 nan 0.000 0.545 215 V N 0.150 120.072 119.914 0.013 0.000 2.446 215 V HA 0.401 4.520 4.120 -0.000 0.000 0.276 215 V C 0.710 176.916 176.094 0.185 0.000 1.030 215 V CA 0.042 62.366 62.300 0.040 0.000 1.033 215 V CB 1.018 32.820 31.823 -0.035 0.000 0.993 215 V HN 1.005 nan 8.190 nan 0.000 0.477 216 V N 8.020 127.977 119.914 0.071 0.000 2.385 216 V HA 0.311 4.431 4.120 -0.000 0.000 0.277 216 V C -2.384 173.759 176.094 0.082 0.000 1.012 216 V CA -1.718 60.607 62.300 0.041 0.000 0.832 216 V CB 1.552 33.311 31.823 -0.106 0.000 1.028 216 V HN 0.695 nan 8.190 nan 0.000 0.436 217 P HA 0.218 nan 4.420 nan 0.000 0.269 217 P C -2.548 174.832 177.300 0.133 0.000 1.215 217 P CA -1.146 62.052 63.100 0.163 0.000 0.780 217 P CB 0.009 31.828 31.700 0.197 0.000 0.898 218 P HA 0.117 nan 4.420 nan 0.000 0.275 218 P C -0.486 176.754 177.300 -0.099 0.000 1.228 218 P CA -0.043 62.999 63.100 -0.096 0.000 0.786 218 P CB 0.655 32.229 31.700 -0.210 0.000 0.927 219 Q N 0.383 120.101 119.800 -0.136 0.000 2.368 219 Q HA 0.089 4.429 4.340 -0.000 0.000 0.237 219 Q C 0.430 176.427 176.000 -0.006 0.000 0.987 219 Q CA -0.344 55.418 55.803 -0.069 0.000 0.896 219 Q CB 0.485 29.152 28.738 -0.119 0.000 1.241 219 Q HN 0.451 nan 8.270 nan 0.000 0.485 220 E N 0.105 120.312 120.200 0.012 0.000 2.694 220 E HA -0.088 4.262 4.350 -0.000 0.000 0.250 220 E C 0.421 177.040 176.600 0.031 0.000 0.963 220 E CA 0.932 57.349 56.400 0.027 0.000 0.949 220 E CB -0.121 29.596 29.700 0.029 0.000 0.911 220 E HN 0.821 nan 8.360 nan 0.000 0.500 221 G N 4.209 113.026 108.800 0.028 0.000 2.179 221 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.260 221 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.260 221 G C 0.372 175.288 174.900 0.027 0.000 0.977 221 G CA 0.335 45.447 45.100 0.021 0.000 0.641 221 G HN 0.648 nan 8.290 nan 0.000 0.533 222 F N 1.159 121.026 119.950 -0.139 0.000 2.084 222 F HA 0.218 4.745 4.527 -0.000 0.000 0.296 222 F C 2.463 178.152 175.800 -0.185 0.000 1.111 222 F CA 2.130 60.008 58.000 -0.203 0.000 1.224 222 F CB -0.474 38.323 39.000 -0.338 0.000 0.991 222 F HN 0.176 nan 8.300 nan 0.000 0.471 223 L N -0.247 120.728 121.223 -0.415 0.000 2.056 223 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 223 L C 2.609 179.378 176.870 -0.168 0.000 1.078 223 L CA 1.050 55.662 54.840 -0.381 0.000 0.749 223 L CB -0.890 41.076 42.059 -0.155 0.000 0.901 223 L HN 0.188 nan 8.230 nan 0.000 0.433 224 Q N 0.461 120.204 119.800 -0.095 0.000 2.084 224 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 224 Q C 2.204 178.155 176.000 -0.082 0.000 0.978 224 Q CA 1.861 57.631 55.803 -0.055 0.000 0.844 224 Q CB -0.565 28.159 28.738 -0.023 0.000 0.898 224 Q HN 0.510 nan 8.270 nan 0.000 0.426 225 G N 0.458 109.197 108.800 -0.101 0.000 2.422 225 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 225 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 225 G C 1.543 176.365 174.900 -0.130 0.000 1.146 225 G CA 0.606 45.651 45.100 -0.091 0.000 0.769 225 G HN 0.337 nan 8.290 nan 0.000 0.547 226 L N -0.280 120.819 121.223 -0.206 0.000 2.093 226 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 226 L C 2.889 179.701 176.870 -0.096 0.000 1.085 226 L CA 1.138 55.882 54.840 -0.160 0.000 0.755 226 L CB -0.333 41.581 42.059 -0.242 0.000 0.904 226 L HN 0.175 nan 8.230 nan 0.000 0.435 227 R N 0.721 121.168 120.500 -0.087 0.000 2.081 227 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 227 R C 1.764 178.018 176.300 -0.076 0.000 1.131 227 R CA 1.741 57.797 56.100 -0.074 0.000 0.960 227 R CB -0.416 29.839 30.300 -0.075 0.000 0.856 227 R HN 0.296 nan 8.270 nan 0.000 0.436 228 D N -0.115 120.236 120.400 -0.082 0.000 2.103 228 D HA -0.129 4.511 4.640 -0.000 0.000 0.199 228 D C 1.817 178.056 176.300 -0.101 0.000 0.978 228 D CA 1.202 55.156 54.000 -0.076 0.000 0.829 228 D CB -0.288 40.474 40.800 -0.064 0.000 0.981 228 D HN 0.236 nan 8.370 nan 0.000 0.464 229 I N 1.222 121.692 120.570 -0.166 0.000 2.315 229 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 229 I C 2.285 178.178 176.117 -0.373 0.000 1.117 229 I CA 1.371 62.487 61.300 -0.305 0.000 1.404 229 I CB -0.475 37.214 38.000 -0.518 0.000 1.071 229 I HN 0.048 nan 8.210 nan 0.000 0.419 230 T N -2.373 112.030 114.554 -0.251 0.000 2.737 230 T HA -0.164 4.185 4.350 -0.000 0.000 0.265 230 T C 1.792 176.518 174.700 0.042 0.000 1.038 230 T CA 1.461 63.538 62.100 -0.039 0.000 1.144 230 T CB -0.683 68.213 68.868 0.047 0.000 0.866 230 T HN 0.435 nan 8.240 nan 0.000 0.434 231 E N 1.096 121.292 120.200 -0.006 0.000 2.051 231 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 231 E C 2.490 179.089 176.600 -0.002 0.000 0.991 231 E CA 1.258 57.659 56.400 0.002 0.000 0.799 231 E CB -0.251 29.434 29.700 -0.025 0.000 0.748 231 E HN 0.643 nan 8.360 nan 0.000 0.449 232 Q N -0.113 119.667 119.800 -0.034 0.000 2.112 232 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 232 Q C 1.105 177.002 176.000 -0.172 0.000 0.987 232 Q CA 1.555 57.287 55.803 -0.118 0.000 0.858 232 Q CB 0.004 28.652 28.738 -0.150 0.000 0.905 232 Q HN 0.388 nan 8.270 nan 0.000 0.420 233 Y N -1.395 118.906 120.300 0.000 0.000 2.457 233 Y HA 0.270 4.820 4.550 0.000 0.000 0.263 233 Y C 1.278 177.249 175.900 0.118 0.000 1.164 233 Y CA 0.414 58.579 58.100 0.108 0.000 1.274 233 Y CB 0.939 39.576 38.460 0.294 0.000 1.097 233 Y HN 0.311 nan 8.280 nan 0.000 0.523 234 G N 0.273 109.184 108.800 0.184 0.000 2.153 234 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.252 234 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.252 234 G C 0.116 175.127 174.900 0.185 0.000 0.994 234 G CA 0.381 45.569 45.100 0.148 0.000 0.698 234 G HN 0.263 nan 8.290 nan 0.000 0.521 235 S N -0.271 115.573 115.700 0.240 0.000 2.610 235 S HA 0.670 5.139 4.470 -0.000 0.000 0.273 235 S C 0.754 175.455 174.600 0.169 0.000 1.274 235 S CA -0.622 57.721 58.200 0.239 0.000 1.023 235 S CB 1.366 64.799 63.200 0.390 0.000 0.962 235 S HN 0.409 nan 8.310 nan 0.000 0.523 236 L N 2.064 123.371 121.223 0.140 0.000 2.375 236 L HA 0.406 4.746 4.340 -0.000 0.000 0.271 236 L C -0.453 176.465 176.870 0.080 0.000 1.107 236 L CA -0.767 54.124 54.840 0.085 0.000 0.806 236 L CB 0.494 42.590 42.059 0.060 0.000 1.146 236 L HN 0.404 nan 8.230 nan 0.000 0.447 237 L N 4.351 125.594 121.223 0.033 0.000 2.265 237 L HA 0.474 4.813 4.340 -0.000 0.000 0.289 237 L C -0.449 176.446 176.870 0.041 0.000 1.033 237 L CA 0.106 54.974 54.840 0.047 0.000 0.814 237 L CB 0.837 42.879 42.059 -0.028 0.000 1.203 237 L HN 0.313 nan 8.230 nan 0.000 0.423 238 I N 5.575 126.221 120.570 0.128 0.000 2.330 238 I HA 0.260 4.430 4.170 -0.000 0.000 0.289 238 I C -0.777 175.544 176.117 0.340 0.000 1.001 238 I CA -0.394 60.988 61.300 0.137 0.000 1.193 238 I CB 0.781 38.808 38.000 0.045 0.000 1.345 238 I HN 0.362 nan 8.210 nan 0.000 0.461 239 F N 4.433 124.397 119.950 0.024 0.000 2.404 239 F HA 0.172 4.699 4.527 -0.000 0.000 0.358 239 F C 0.782 176.620 175.800 0.064 0.000 1.120 239 F CA -1.069 56.961 58.000 0.050 0.000 1.144 239 F CB 0.513 39.539 39.000 0.043 0.000 1.133 239 F HN 0.404 nan 8.300 nan 0.000 0.495 240 D N 4.289 124.808 120.400 0.198 0.000 2.435 240 D HA 0.025 4.664 4.640 -0.000 0.000 0.230 240 D C 0.281 176.670 176.300 0.149 0.000 1.215 240 D CA 0.272 54.383 54.000 0.185 0.000 0.947 240 D CB 0.226 41.216 40.800 0.317 0.000 1.048 240 D HN 0.576 nan 8.370 nan 0.000 0.512 241 E N 2.603 122.890 120.200 0.145 0.000 2.496 241 E HA 0.047 4.397 4.350 -0.000 0.000 0.202 241 E C 1.585 178.253 176.600 0.113 0.000 1.021 241 E CA -0.152 56.313 56.400 0.108 0.000 1.015 241 E CB 0.978 30.727 29.700 0.081 0.000 1.102 241 E HN 0.316 nan 8.360 nan 0.000 0.452 242 V N 0.805 120.800 119.914 0.136 0.000 2.392 242 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 242 V C 2.173 178.367 176.094 0.166 0.000 1.059 242 V CA 1.782 64.172 62.300 0.149 0.000 1.051 242 V CB -0.254 31.652 31.823 0.139 0.000 0.658 242 V HN 0.396 nan 8.190 nan 0.000 0.455 243 M N -0.140 119.559 119.600 0.166 0.000 2.556 243 M HA -0.071 4.409 4.480 -0.000 0.000 0.264 243 M C 2.340 178.749 176.300 0.181 0.000 1.163 243 M CA 1.616 57.038 55.300 0.204 0.000 1.186 243 M CB 0.045 32.783 32.600 0.229 0.000 1.321 243 M HN 0.549 nan 8.290 nan 0.000 0.485 244 T N -1.443 113.187 114.554 0.128 0.000 2.951 244 T HA 0.055 4.405 4.350 -0.000 0.000 0.268 244 T C 1.172 175.907 174.700 0.058 0.000 1.073 244 T CA 0.592 62.748 62.100 0.094 0.000 1.134 244 T CB -1.294 67.623 68.868 0.081 0.000 0.884 244 T HN 0.435 nan 8.240 nan 0.000 0.479 245 G N 0.781 109.600 108.800 0.031 0.000 2.254 245 G HA2 0.339 4.299 3.960 -0.000 0.000 0.253 245 G HA3 0.339 4.299 3.960 -0.000 0.000 0.253 245 G C -0.085 174.815 174.900 0.000 0.000 1.246 245 G CA -0.577 44.423 45.100 -0.166 0.000 0.946 245 G HN 0.393 nan 8.290 nan 0.000 0.474 246 F N -0.528 119.478 119.950 0.093 0.000 3.006 246 F HA -0.256 4.271 4.527 -0.000 0.000 0.289 246 F C 1.753 177.765 175.800 0.353 0.000 0.772 246 F CA 1.419 59.509 58.000 0.151 0.000 1.162 246 F CB -1.354 37.720 39.000 0.123 0.000 1.382 246 F HN 0.612 nan 8.300 nan 0.000 0.406 247 R N -0.204 120.518 120.500 0.370 0.000 2.302 247 R HA 0.268 4.608 4.340 -0.000 0.000 0.187 247 R C 1.790 178.271 176.300 0.302 0.000 0.904 247 R CA 0.769 57.087 56.100 0.363 0.000 1.105 247 R CB -0.133 30.292 30.300 0.208 0.000 1.239 247 R HN 0.098 nan 8.270 nan 0.000 0.620 248 V N 1.197 121.172 119.914 0.102 0.000 2.287 248 V HA -0.123 3.997 4.120 -0.000 0.000 0.248 248 V C 0.568 176.562 176.094 -0.167 0.000 1.053 248 V CA 2.103 64.356 62.300 -0.077 0.000 1.027 248 V CB -0.359 31.384 31.823 -0.133 0.000 0.646 248 V HN 0.448 nan 8.190 nan 0.000 0.447 249 D N -4.930 115.347 120.400 -0.205 0.000 2.643 249 D HA 0.184 4.824 4.640 -0.000 0.000 0.283 249 D C 0.185 176.008 176.300 -0.795 0.000 1.242 249 D CA -0.669 53.062 54.000 -0.449 0.000 0.863 249 D CB 0.794 41.508 40.800 -0.144 0.000 1.382 249 D HN -0.061 nan 8.370 nan 0.000 0.444 250 Y N 1.481 121.107 120.300 -1.124 0.000 2.165 250 Y HA -0.179 4.371 4.550 -0.000 0.000 0.286 250 Y C 1.230 177.027 175.900 -0.171 0.000 1.155 250 Y CA 2.492 60.216 58.100 -0.626 0.000 1.164 250 Y CB 0.032 38.321 38.460 -0.285 0.000 0.978 250 Y HN 0.425 nan 8.280 nan 0.000 0.513 251 N N -0.832 117.832 118.700 -0.060 0.000 2.327 251 N HA 0.129 4.868 4.740 -0.000 0.000 0.231 251 N C -0.345 175.090 175.510 -0.125 0.000 1.130 251 N CA 0.308 53.320 53.050 -0.064 0.000 0.845 251 N CB -1.060 37.459 38.487 0.053 0.000 1.073 251 N HN 0.340 nan 8.380 nan 0.000 0.496 252 C N -1.984 117.190 119.300 -0.211 0.000 0.168 252 C HA -0.122 4.338 4.460 -0.000 0.000 0.017 252 C C 2.116 177.099 174.990 -0.013 0.000 0.171 252 C CA -0.310 58.597 59.018 -0.185 0.000 0.499 252 C CB -1.246 26.327 27.740 -0.278 0.000 3.212 252 C HN 0.604 nan 8.230 nan 0.000 1.118 253 A N 0.167 123.033 122.820 0.075 0.000 1.969 253 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 253 A C 2.046 179.882 177.584 0.420 0.000 1.169 253 A CA 2.284 54.474 52.037 0.255 0.000 0.635 253 A CB -0.612 18.578 19.000 0.316 0.000 0.810 253 A HN 1.058 nan 8.150 nan 0.000 0.445 254 Q N -0.930 119.093 119.800 0.371 0.000 2.167 254 Q HA -0.024 4.316 4.340 -0.000 0.000 0.202 254 Q C 1.863 177.984 176.000 0.202 0.000 0.970 254 Q CA 1.496 57.530 55.803 0.385 0.000 0.855 254 Q CB -0.643 28.241 28.738 0.244 0.000 0.911 254 Q HN 0.415 nan 8.270 nan 0.000 0.438 255 G N 0.157 109.029 108.800 0.120 0.000 2.408 255 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.215 255 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.215 255 G C 1.125 176.058 174.900 0.055 0.000 1.156 255 G CA 0.502 45.642 45.100 0.067 0.000 0.793 255 G HN 0.411 nan 8.290 nan 0.000 0.535 256 Y N 0.755 120.993 120.300 -0.104 0.000 2.181 256 Y HA -0.020 4.530 4.550 0.000 0.000 0.288 256 Y C 1.858 177.561 175.900 -0.329 0.000 1.146 256 Y CA 1.413 59.342 58.100 -0.285 0.000 1.164 256 Y CB -0.143 38.026 38.460 -0.486 0.000 0.982 256 Y HN 0.185 nan 8.280 nan 0.000 0.515 257 F N -0.457 119.559 119.950 0.110 0.000 2.727 257 F HA 0.273 4.800 4.527 -0.000 0.000 0.302 257 F C 1.743 177.557 175.800 0.023 0.000 1.097 257 F CA 0.346 58.371 58.000 0.042 0.000 1.330 257 F CB 0.014 39.106 39.000 0.153 0.000 1.084 257 F HN 0.090 nan 8.300 nan 0.000 0.578 258 G N 1.588 110.474 108.800 0.143 0.000 2.305 258 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.287 258 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.287 258 G C -0.402 174.551 174.900 0.089 0.000 1.036 258 G CA 0.227 45.374 45.100 0.079 0.000 0.887 258 G HN 0.192 nan 8.290 nan 0.000 0.505 259 V N 0.486 120.484 119.914 0.139 0.000 2.443 259 V HA 0.561 4.681 4.120 -0.000 0.000 0.293 259 V C 0.305 176.346 176.094 -0.088 0.000 1.021 259 V CA -0.362 61.978 62.300 0.066 0.000 0.848 259 V CB 2.001 33.929 31.823 0.175 0.000 0.998 259 V HN 0.347 nan 8.190 nan 0.000 0.424 260 T N 7.606 122.056 114.554 -0.173 0.000 2.753 260 T HA 0.421 4.771 4.350 -0.000 0.000 0.297 260 T C -2.342 172.119 174.700 -0.397 0.000 0.981 260 T CA -1.083 60.866 62.100 -0.251 0.000 0.956 260 T CB 1.502 70.289 68.868 -0.135 0.000 0.936 260 T HN 0.486 nan 8.240 nan 0.000 0.463 261 P HA 0.330 nan 4.420 nan 0.000 0.276 261 P C 0.029 177.167 177.300 -0.269 0.000 1.261 261 P CA -0.441 62.313 63.100 -0.576 0.000 0.800 261 P CB 1.243 32.456 31.700 -0.812 0.000 1.066 262 D N -0.421 119.873 120.400 -0.176 0.000 2.213 262 D HA 0.090 4.730 4.640 -0.000 0.000 0.205 262 D C 0.638 176.879 176.300 -0.099 0.000 0.961 262 D CA 1.204 55.132 54.000 -0.120 0.000 0.853 262 D CB 0.241 40.987 40.800 -0.090 0.000 0.967 262 D HN 0.257 nan 8.370 nan 0.000 0.496 263 L N -0.129 121.053 121.223 -0.069 0.000 2.370 263 L HA 0.394 4.734 4.340 -0.000 0.000 0.266 263 L C -0.590 176.295 176.870 0.025 0.000 1.002 263 L CA -0.391 54.442 54.840 -0.011 0.000 0.818 263 L CB 2.728 44.798 42.059 0.018 0.000 1.325 263 L HN -0.330 nan 8.230 nan 0.000 0.418 264 T N 0.546 115.136 114.554 0.061 0.000 2.879 264 T HA 0.335 4.685 4.350 -0.000 0.000 0.290 264 T C -0.845 173.933 174.700 0.129 0.000 0.993 264 T CA -0.344 61.817 62.100 0.101 0.000 0.975 264 T CB 1.114 70.020 68.868 0.064 0.000 0.981 264 T HN 0.464 nan 8.240 nan 0.000 0.439 265 C N 4.738 124.124 119.300 0.143 0.000 2.307 265 C HA 0.719 5.179 4.460 -0.000 0.000 0.340 265 C C 0.226 175.300 174.990 0.140 0.000 1.275 265 C CA -0.839 58.267 59.018 0.148 0.000 1.811 265 C CB -1.150 26.660 27.740 0.117 0.000 2.372 265 C HN 0.746 nan 8.230 nan 0.000 0.531 266 L N 2.660 123.973 121.223 0.150 0.000 2.279 266 L HA 0.990 5.330 4.340 -0.000 0.000 0.262 266 L C 0.659 177.629 176.870 0.166 0.000 1.019 266 L CA -0.070 54.870 54.840 0.167 0.000 0.823 266 L CB 1.982 44.168 42.059 0.211 0.000 1.358 266 L HN 0.880 nan 8.230 nan 0.000 0.432 267 G N -1.058 107.854 108.800 0.186 0.000 2.364 267 G HA2 0.293 4.253 3.960 -0.000 0.000 0.286 267 G HA3 0.293 4.253 3.960 -0.000 0.000 0.286 267 G C -1.088 173.909 174.900 0.162 0.000 1.241 267 G CA -0.248 44.944 45.100 0.153 0.000 0.887 267 G HN 0.520 nan 8.290 nan 0.000 0.484 268 K N -1.780 118.697 120.400 0.128 0.000 1.721 268 K HA -0.331 3.989 4.320 -0.000 0.000 0.121 268 K C 1.905 178.568 176.600 0.105 0.000 1.152 268 K CA 2.158 58.514 56.287 0.115 0.000 0.360 268 K CB -1.782 30.800 32.500 0.137 0.000 0.626 268 K HN 0.811 nan 8.250 nan 0.000 0.878 269 V N 1.739 121.731 119.914 0.130 0.000 2.319 269 V HA -0.334 3.786 4.120 -0.000 0.000 0.264 269 V C 2.281 178.379 176.094 0.007 0.000 1.107 269 V CA 2.842 65.196 62.300 0.090 0.000 1.101 269 V CB -1.230 30.701 31.823 0.181 0.000 0.704 269 V HN 0.592 nan 8.190 nan 0.000 0.454 270 I N -0.892 119.693 120.570 0.024 0.000 3.083 270 I HA 0.059 4.229 4.170 -0.000 0.000 0.273 270 I C 1.810 177.914 176.117 -0.022 0.000 1.297 270 I CA 1.593 62.860 61.300 -0.054 0.000 1.452 270 I CB -0.681 37.334 38.000 0.026 0.000 1.078 270 I HN 0.216 nan 8.210 nan 0.000 0.484 271 G N 0.292 109.097 108.800 0.008 0.000 3.062 271 G HA2 0.313 4.273 3.960 -0.000 0.000 0.228 271 G HA3 0.313 4.273 3.960 -0.000 0.000 0.228 271 G C 1.266 176.166 174.900 -0.000 0.000 1.094 271 G CA 0.198 45.303 45.100 0.009 0.000 0.782 271 G HN 0.653 nan 8.290 nan 0.000 0.541 272 G N -0.123 108.673 108.800 -0.007 0.000 2.321 272 G HA2 0.192 4.152 3.960 -0.000 0.000 0.287 272 G HA3 0.192 4.152 3.960 -0.000 0.000 0.287 272 G C 1.231 176.125 174.900 -0.010 0.000 1.018 272 G CA 1.287 46.380 45.100 -0.012 0.000 0.855 272 G HN 1.842 nan 8.290 nan 0.000 0.507 273 G N -2.836 105.964 108.800 -0.001 0.000 2.184 273 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.206 273 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.206 273 G C 0.201 175.113 174.900 0.020 0.000 0.995 273 G CA 0.335 45.436 45.100 0.000 0.000 0.651 273 G HN 1.161 nan 8.290 nan 0.000 0.511 274 L N 1.415 122.650 121.223 0.021 0.000 2.352 274 L HA 0.649 4.989 4.340 -0.000 0.000 0.269 274 L C -1.937 174.954 176.870 0.035 0.000 1.034 274 L CA -2.166 52.690 54.840 0.026 0.000 0.806 274 L CB 0.912 42.981 42.059 0.016 0.000 1.244 274 L HN -0.165 nan 8.230 nan 0.000 0.447 275 P HA 0.164 nan 4.420 nan 0.000 0.263 275 P C -0.921 176.405 177.300 0.043 0.000 1.195 275 P CA 0.280 63.408 63.100 0.047 0.000 0.762 275 P CB 0.773 32.500 31.700 0.044 0.000 0.799 276 V N 2.225 122.172 119.914 0.054 0.000 3.279 276 V HA 0.888 5.008 4.120 -0.000 0.000 0.296 276 V C -0.629 175.508 176.094 0.072 0.000 1.470 276 V CA 0.091 62.424 62.300 0.055 0.000 1.065 276 V CB 2.235 34.087 31.823 0.048 0.000 1.124 276 V HN 0.791 nan 8.190 nan 0.000 0.461 277 G N 0.896 109.743 108.800 0.078 0.000 2.368 277 G HA2 0.902 4.862 3.960 -0.000 0.000 0.293 277 G HA3 0.902 4.862 3.960 -0.000 0.000 0.293 277 G C -1.251 173.711 174.900 0.104 0.000 1.467 277 G CA 0.170 45.330 45.100 0.100 0.000 0.804 277 G HN 1.985 nan 8.290 nan 0.000 0.535 278 A N -0.754 122.146 122.820 0.134 0.000 2.594 278 A HA 0.804 5.124 4.320 -0.000 0.000 0.296 278 A C -1.577 176.122 177.584 0.191 0.000 1.056 278 A CA -0.504 51.601 52.037 0.113 0.000 0.693 278 A CB 1.022 20.057 19.000 0.058 0.000 1.278 278 A HN 2.268 nan 8.150 nan 0.000 0.408 279 Y N -0.232 120.080 120.300 0.020 0.000 2.425 279 Y HA 0.906 5.456 4.550 -0.000 0.000 0.344 279 Y C 0.195 176.097 175.900 0.003 0.000 0.969 279 Y CA -0.660 57.447 58.100 0.012 0.000 1.052 279 Y CB 1.389 39.846 38.460 -0.004 0.000 1.215 279 Y HN 1.328 nan 8.280 nan 0.000 0.451 280 G N 0.019 108.836 108.800 0.029 0.000 2.827 280 G HA2 0.768 4.727 3.960 -0.000 0.000 0.296 280 G HA3 0.768 4.727 3.960 -0.000 0.000 0.296 280 G C -0.623 174.275 174.900 -0.003 0.000 1.362 280 G CA -0.562 44.508 45.100 -0.050 0.000 0.809 280 G HN 1.604 nan 8.290 nan 0.000 0.522 281 G N -1.127 107.651 108.800 -0.036 0.000 2.403 281 G HA2 0.265 4.225 3.960 -0.000 0.000 0.223 281 G HA3 0.265 4.225 3.960 -0.000 0.000 0.223 281 G C -1.016 173.844 174.900 -0.066 0.000 1.287 281 G CA -0.755 44.316 45.100 -0.049 0.000 0.982 281 G HN 0.603 nan 8.290 nan 0.000 0.471 282 K N 0.829 121.176 120.400 -0.089 0.000 2.489 282 K HA 0.408 4.728 4.320 -0.000 0.000 0.278 282 K C 1.565 178.110 176.600 -0.092 0.000 1.000 282 K CA 0.436 56.669 56.287 -0.091 0.000 1.012 282 K CB 1.299 33.729 32.500 -0.118 0.000 0.903 282 K HN 0.710 nan 8.250 nan 0.000 0.485 283 A N 4.194 126.978 122.820 -0.061 0.000 1.865 283 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 283 A C 1.897 179.454 177.584 -0.045 0.000 1.191 283 A CA 2.047 54.057 52.037 -0.046 0.000 0.623 283 A CB -0.595 18.390 19.000 -0.025 0.000 0.826 283 A HN 0.966 nan 8.150 nan 0.000 0.444 284 E N -0.118 120.060 120.200 -0.036 0.000 2.209 284 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 284 E C 1.819 178.396 176.600 -0.040 0.000 0.993 284 E CA 1.502 57.907 56.400 0.008 0.000 0.819 284 E CB -0.521 29.215 29.700 0.059 0.000 0.745 284 E HN 0.693 nan 8.360 nan 0.000 0.477 285 I N 0.371 120.781 120.570 -0.265 0.000 2.235 285 I HA -0.184 3.986 4.170 -0.000 0.000 0.241 285 I C 2.547 178.573 176.117 -0.152 0.000 1.085 285 I CA 0.724 61.716 61.300 -0.514 0.000 1.378 285 I CB -0.255 37.360 38.000 -0.641 0.000 1.076 285 I HN 0.118 nan 8.210 nan 0.000 0.415 286 M N 0.208 119.752 119.600 -0.094 0.000 2.213 286 M HA -0.173 4.307 4.480 -0.000 0.000 0.263 286 M C 2.096 178.396 176.300 -0.001 0.000 1.062 286 M CA 1.433 56.715 55.300 -0.030 0.000 1.105 286 M CB -1.138 31.425 32.600 -0.062 0.000 1.385 286 M HN 0.223 nan 8.290 nan 0.000 0.417 287 E N 0.277 120.480 120.200 0.005 0.000 2.267 287 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 287 E C 1.752 178.388 176.600 0.059 0.000 0.998 287 E CA 0.828 57.246 56.400 0.029 0.000 0.830 287 E CB 0.048 29.770 29.700 0.037 0.000 0.751 287 E HN 0.512 nan 8.360 nan 0.000 0.491 288 Q N -0.153 119.701 119.800 0.090 0.000 2.436 288 Q HA -0.008 4.332 4.340 -0.000 0.000 0.209 288 Q C 0.681 176.740 176.000 0.098 0.000 0.965 288 Q CA 0.240 56.114 55.803 0.119 0.000 0.910 288 Q CB 0.180 29.035 28.738 0.197 0.000 0.980 288 Q HN 0.209 nan 8.270 nan 0.000 0.491 289 I N 1.216 121.836 120.570 0.084 0.000 2.575 289 I HA 0.103 4.272 4.170 -0.000 0.000 0.285 289 I C 0.624 176.766 176.117 0.042 0.000 1.085 289 I CA -0.918 60.428 61.300 0.077 0.000 1.403 289 I CB 0.297 38.356 38.000 0.098 0.000 1.409 289 I HN -0.083 nan 8.210 nan 0.000 0.557 290 A N 9.211 132.046 122.820 0.024 0.000 2.483 290 A HA 0.289 4.609 4.320 -0.000 0.000 0.238 290 A C -1.257 176.318 177.584 -0.015 0.000 1.070 290 A CA -0.591 51.455 52.037 0.016 0.000 0.770 290 A CB -0.462 18.540 19.000 0.003 0.000 1.008 290 A HN 0.694 nan 8.150 nan 0.000 0.497 291 P HA -0.021 nan 4.420 nan 0.000 0.251 291 P C 1.059 178.384 177.300 0.041 0.000 1.223 291 P CA 1.068 64.192 63.100 0.039 0.000 0.796 291 P CB 0.112 31.834 31.700 0.037 0.000 1.068 292 S N -1.304 114.414 115.700 0.030 0.000 2.453 292 S HA 0.181 4.651 4.470 -0.000 0.000 0.231 292 S C 1.205 175.831 174.600 0.043 0.000 1.005 292 S CA 0.531 58.750 58.200 0.032 0.000 0.949 292 S CB -0.685 62.528 63.200 0.022 0.000 0.774 292 S HN 0.244 nan 8.310 nan 0.000 0.510 293 G N 0.817 109.650 108.800 0.054 0.000 2.798 293 G HA2 0.574 4.534 3.960 -0.000 0.000 0.286 293 G HA3 0.574 4.534 3.960 -0.000 0.000 0.286 293 G C -2.489 172.458 174.900 0.079 0.000 1.389 293 G CA -1.365 43.775 45.100 0.067 0.000 0.894 293 G HN 0.010 nan 8.290 nan 0.000 0.488 294 P HA 0.061 nan 4.420 nan 0.000 0.222 294 P C 0.714 178.082 177.300 0.112 0.000 1.153 294 P CA 0.442 63.594 63.100 0.086 0.000 0.798 294 P CB 0.359 32.097 31.700 0.064 0.000 0.796 295 I N 0.579 121.214 120.570 0.108 0.000 2.494 295 I HA -0.006 4.164 4.170 -0.000 0.000 0.289 295 I C 0.514 176.712 176.117 0.134 0.000 1.106 295 I CA -0.530 60.838 61.300 0.113 0.000 1.369 295 I CB -0.465 37.593 38.000 0.096 0.000 1.410 295 I HN -0.106 nan 8.210 nan 0.000 0.523 296 Y N 7.516 127.837 120.300 0.034 0.000 2.335 296 Y HA 0.259 4.809 4.550 -0.000 0.000 0.331 296 Y C 0.043 175.966 175.900 0.039 0.000 1.094 296 Y CA 0.179 58.300 58.100 0.035 0.000 1.253 296 Y CB 0.548 39.022 38.460 0.023 0.000 1.203 296 Y HN 0.511 nan 8.280 nan 0.000 0.508 297 Q N 5.117 124.584 119.800 -0.555 0.000 2.313 297 Q HA 0.637 4.976 4.340 -0.000 0.000 0.255 297 Q C -2.115 173.555 176.000 -0.550 0.000 0.944 297 Q CA -0.493 55.081 55.803 -0.382 0.000 0.881 297 Q CB 1.724 30.427 28.738 -0.058 0.000 1.375 297 Q HN 0.890 nan 8.270 nan 0.000 0.422 298 A N 1.475 124.017 122.820 -0.463 0.000 2.435 298 A HA 1.051 5.371 4.320 -0.000 0.000 0.296 298 A C -0.638 176.906 177.584 -0.066 0.000 1.147 298 A CA -0.187 51.697 52.037 -0.254 0.000 0.775 298 A CB 2.069 20.956 19.000 -0.189 0.000 1.340 298 A HN 0.747 nan 8.150 nan 0.000 0.427 299 G N -0.863 107.924 108.800 -0.021 0.000 2.505 299 G HA2 0.469 4.429 3.960 -0.000 0.000 0.292 299 G HA3 0.469 4.429 3.960 -0.000 0.000 0.292 299 G C 0.199 175.111 174.900 0.021 0.000 1.332 299 G CA 0.577 45.686 45.100 0.014 0.000 1.286 299 G HN 1.320 nan 8.290 nan 0.000 0.606 300 T N 0.227 114.800 114.554 0.032 0.000 2.951 300 T HA 0.011 4.360 4.350 -0.000 0.000 0.268 300 T C 1.704 176.420 174.700 0.027 0.000 1.073 300 T CA 0.876 62.996 62.100 0.034 0.000 1.134 300 T CB -0.069 68.822 68.868 0.039 0.000 0.884 300 T HN 0.281 nan 8.240 nan 0.000 0.479 301 L N 1.087 122.324 121.223 0.023 0.000 2.857 301 L HA 0.355 4.695 4.340 -0.000 0.000 0.249 301 L C 0.470 177.349 176.870 0.015 0.000 1.172 301 L CA -0.487 54.361 54.840 0.014 0.000 0.980 301 L CB 0.214 42.279 42.059 0.009 0.000 1.299 301 L HN 0.076 nan 8.230 nan 0.000 0.535 302 S N 0.595 116.307 115.700 0.020 0.000 2.568 302 S HA 0.302 4.772 4.470 -0.000 0.000 0.282 302 S C 1.233 175.843 174.600 0.017 0.000 1.338 302 S CA 0.551 58.763 58.200 0.020 0.000 1.045 302 S CB 0.857 64.068 63.200 0.019 0.000 0.873 302 S HN 0.599 nan 8.310 nan 0.000 0.516 303 G N 2.470 111.279 108.800 0.015 0.000 2.246 303 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.273 303 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.273 303 G C 0.016 174.928 174.900 0.019 0.000 1.055 303 G CA 0.005 45.114 45.100 0.015 0.000 0.851 303 G HN 0.812 nan 8.290 nan 0.000 0.500 304 N N 0.503 119.208 118.700 0.008 0.000 2.411 304 N HA 0.113 4.853 4.740 -0.000 0.000 0.265 304 N C -0.400 175.106 175.510 -0.008 0.000 1.266 304 N CA -0.641 52.402 53.050 -0.010 0.000 0.889 304 N CB 1.002 39.479 38.487 -0.016 0.000 1.069 304 N HN 0.061 nan 8.380 nan 0.000 0.476 305 P HA -0.171 nan 4.420 nan 0.000 0.216 305 P C 1.698 178.995 177.300 -0.005 0.000 1.157 305 P CA 1.139 64.247 63.100 0.013 0.000 0.880 305 P CB 0.272 31.983 31.700 0.019 0.000 0.791 306 L N -1.331 119.877 121.223 -0.025 0.000 2.017 306 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 306 L C 2.426 179.290 176.870 -0.010 0.000 1.073 306 L CA 1.855 56.685 54.840 -0.017 0.000 0.745 306 L CB -1.071 40.976 42.059 -0.021 0.000 0.894 306 L HN -0.019 nan 8.230 nan 0.000 0.432 307 A N -0.634 122.182 122.820 -0.007 0.000 1.898 307 A HA -0.197 4.122 4.320 -0.000 0.000 0.216 307 A C 2.249 179.829 177.584 -0.006 0.000 1.181 307 A CA 1.321 53.357 52.037 -0.001 0.000 0.620 307 A CB -0.310 18.695 19.000 0.007 0.000 0.819 307 A HN 0.282 nan 8.150 nan 0.000 0.442 308 M N -0.166 119.432 119.600 -0.004 0.000 2.117 308 M HA -0.105 4.375 4.480 -0.000 0.000 0.262 308 M C 2.169 178.458 176.300 -0.017 0.000 1.065 308 M CA 2.052 57.347 55.300 -0.008 0.000 1.114 308 M CB -2.011 30.591 32.600 0.003 0.000 1.361 308 M HN 0.442 nan 8.290 nan 0.000 0.408 309 T N 1.294 115.839 114.554 -0.014 0.000 2.701 309 T HA -0.023 4.326 4.350 -0.000 0.000 0.263 309 T C 2.000 176.686 174.700 -0.024 0.000 1.040 309 T CA 1.693 63.781 62.100 -0.021 0.000 1.147 309 T CB -0.457 68.398 68.868 -0.021 0.000 0.865 309 T HN 0.468 nan 8.240 nan 0.000 0.426 310 A N 1.557 124.366 122.820 -0.019 0.000 1.892 310 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 310 A C 2.633 180.199 177.584 -0.029 0.000 1.188 310 A CA 2.077 54.104 52.037 -0.018 0.000 0.631 310 A CB -1.479 17.516 19.000 -0.009 0.000 0.822 310 A HN 0.526 nan 8.150 nan 0.000 0.447 311 G N -0.584 108.194 108.800 -0.036 0.000 2.418 311 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.217 311 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.217 311 G C 1.491 176.335 174.900 -0.093 0.000 1.158 311 G CA 1.153 46.214 45.100 -0.065 0.000 0.771 311 G HN 0.450 nan 8.290 nan 0.000 0.545 312 L N 0.539 121.720 121.223 -0.070 0.000 2.017 312 L HA 0.013 4.353 4.340 -0.000 0.000 0.208 312 L C 2.583 179.420 176.870 -0.054 0.000 1.073 312 L CA 1.822 56.621 54.840 -0.068 0.000 0.745 312 L CB -0.325 41.708 42.059 -0.044 0.000 0.894 312 L HN 0.095 nan 8.230 nan 0.000 0.432 313 E N -0.974 119.204 120.200 -0.037 0.000 2.208 313 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 313 E C 2.078 178.667 176.600 -0.018 0.000 0.988 313 E CA 1.354 57.740 56.400 -0.022 0.000 0.828 313 E CB -0.385 29.306 29.700 -0.016 0.000 0.763 313 E HN 0.533 nan 8.360 nan 0.000 0.478 314 T N 1.623 116.159 114.554 -0.030 0.000 2.732 314 T HA -0.039 4.311 4.350 -0.000 0.000 0.261 314 T C 2.157 176.843 174.700 -0.023 0.000 1.040 314 T CA 0.709 62.797 62.100 -0.021 0.000 1.145 314 T CB -0.216 68.634 68.868 -0.029 0.000 0.866 314 T HN 0.078 nan 8.240 nan 0.000 0.427 315 L N 0.517 121.691 121.223 -0.082 0.000 2.046 315 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 315 L C 2.635 179.495 176.870 -0.016 0.000 1.077 315 L CA 1.326 56.099 54.840 -0.112 0.000 0.747 315 L CB -0.458 41.428 42.059 -0.289 0.000 0.896 315 L HN 0.196 nan 8.230 nan 0.000 0.432 316 K N -0.172 120.223 120.400 -0.009 0.000 2.152 316 K HA -0.226 4.093 4.320 -0.000 0.000 0.206 316 K C 1.969 178.606 176.600 0.060 0.000 1.048 316 K CA 1.369 57.674 56.287 0.030 0.000 0.933 316 K CB -0.094 32.414 32.500 0.013 0.000 0.721 316 K HN 0.433 nan 8.250 nan 0.000 0.447 317 Q N 0.117 119.947 119.800 0.050 0.000 2.444 317 Q HA 0.090 4.430 4.340 -0.000 0.000 0.206 317 Q C -0.161 175.888 176.000 0.081 0.000 0.948 317 Q CA 0.091 55.927 55.803 0.054 0.000 0.946 317 Q CB 0.265 29.025 28.738 0.036 0.000 1.027 317 Q HN 0.246 nan 8.270 nan 0.000 0.513 318 L N 1.535 122.840 121.223 0.136 0.000 2.292 318 L HA 0.291 4.630 4.340 -0.000 0.000 0.284 318 L C 0.364 177.473 176.870 0.398 0.000 1.065 318 L CA -0.404 54.573 54.840 0.228 0.000 0.806 318 L CB 1.166 43.407 42.059 0.303 0.000 1.175 318 L HN 0.028 nan 8.230 nan 0.000 0.431 319 T N -0.752 113.990 114.554 0.313 0.000 2.907 319 T HA 0.454 4.804 4.350 -0.000 0.000 0.290 319 T C -2.257 172.554 174.700 0.184 0.000 1.066 319 T CA -1.987 60.221 62.100 0.179 0.000 1.012 319 T CB 1.997 70.878 68.868 0.021 0.000 1.184 319 T HN 0.162 nan 8.240 nan 0.000 0.522 320 P HA -0.084 nan 4.420 nan 0.000 0.217 320 P C 0.709 178.069 177.300 0.099 0.000 1.151 320 P CA 1.217 64.293 63.100 -0.039 0.000 0.849 320 P CB -0.058 31.519 31.700 -0.204 0.000 0.787 321 D N -1.695 118.705 120.400 0.001 0.000 2.219 321 D HA -0.072 4.568 4.640 -0.000 0.000 0.205 321 D C 1.985 178.198 176.300 -0.145 0.000 0.970 321 D CA 0.885 54.859 54.000 -0.043 0.000 0.851 321 D CB -0.567 40.200 40.800 -0.055 0.000 0.943 321 D HN 0.046 nan 8.370 nan 0.000 0.488 322 S N -0.183 115.385 115.700 -0.221 0.000 2.365 322 S HA -0.215 4.255 4.470 -0.000 0.000 0.225 322 S C 1.694 175.594 174.600 -1.166 0.000 1.039 322 S CA 1.078 58.873 58.200 -0.674 0.000 1.033 322 S CB -0.451 62.343 63.200 -0.676 0.000 0.887 322 S HN 0.410 nan 8.310 nan 0.000 0.447 323 Y N 1.435 121.479 120.300 -0.427 0.000 2.314 323 Y HA 0.075 4.625 4.550 -0.000 0.000 0.293 323 Y C 2.308 178.178 175.900 -0.051 0.000 1.129 323 Y CA 0.454 58.477 58.100 -0.129 0.000 1.201 323 Y CB -0.313 38.232 38.460 0.142 0.000 0.999 323 Y HN 0.112 nan 8.280 nan 0.000 0.541 324 K N 0.371 120.804 120.400 0.056 0.000 2.044 324 K HA -0.246 4.074 4.320 -0.000 0.000 0.210 324 K C 2.044 178.640 176.600 -0.006 0.000 1.049 324 K CA 1.647 57.954 56.287 0.034 0.000 0.927 324 K CB -0.310 32.195 32.500 0.009 0.000 0.713 324 K HN 0.364 nan 8.250 nan 0.000 0.443 325 N N 0.448 119.076 118.700 -0.121 0.000 2.216 325 N HA -0.123 4.617 4.740 -0.000 0.000 0.183 325 N C 1.760 177.295 175.510 0.042 0.000 1.017 325 N CA 0.895 53.893 53.050 -0.086 0.000 0.861 325 N CB -0.037 38.349 38.487 -0.167 0.000 0.986 325 N HN 0.153 nan 8.380 nan 0.000 0.428 326 F N 1.395 121.347 119.950 0.004 0.000 2.065 326 F HA -0.217 4.311 4.527 0.000 0.000 0.298 326 F C 2.471 178.288 175.800 0.027 0.000 1.112 326 F CA 0.769 58.771 58.000 0.003 0.000 1.212 326 F CB -0.238 38.758 39.000 -0.007 0.000 0.975 326 F HN 0.007 nan 8.300 nan 0.000 0.476 327 I N 0.155 120.869 120.570 0.240 0.000 2.179 327 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 327 I C 2.278 178.455 176.117 0.100 0.000 1.088 327 I CA 1.519 62.909 61.300 0.149 0.000 1.357 327 I CB -0.468 37.612 38.000 0.134 0.000 1.051 327 I HN 0.105 nan 8.210 nan 0.000 0.409 328 K N 0.588 121.039 120.400 0.085 0.000 2.026 328 K HA -0.165 4.154 4.320 -0.000 0.000 0.208 328 K C 2.174 178.811 176.600 0.061 0.000 1.048 328 K CA 1.111 57.432 56.287 0.057 0.000 0.929 328 K CB -0.061 32.464 32.500 0.042 0.000 0.713 328 K HN 0.105 nan 8.250 nan 0.000 0.439 329 K N 0.125 120.582 120.400 0.095 0.000 2.063 329 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 329 K C 2.256 178.904 176.600 0.080 0.000 1.048 329 K CA 1.636 57.988 56.287 0.107 0.000 0.928 329 K CB -0.823 31.777 32.500 0.165 0.000 0.713 329 K HN 0.336 nan 8.250 nan 0.000 0.442 330 G N 1.877 110.725 108.800 0.080 0.000 2.422 330 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 330 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 330 G C 1.130 176.011 174.900 -0.032 0.000 1.146 330 G CA 0.805 45.929 45.100 0.039 0.000 0.769 330 G HN 0.236 nan 8.290 nan 0.000 0.547 331 D N 0.420 120.809 120.400 -0.018 0.000 2.084 331 D HA -0.099 4.541 4.640 -0.000 0.000 0.194 331 D C 2.519 178.760 176.300 -0.099 0.000 0.990 331 D CA 1.011 54.975 54.000 -0.060 0.000 0.826 331 D CB -0.201 40.586 40.800 -0.021 0.000 0.971 331 D HN 0.171 nan 8.370 nan 0.000 0.453 332 R N 0.577 121.045 120.500 -0.054 0.000 2.081 332 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 332 R C 2.189 178.432 176.300 -0.095 0.000 1.131 332 R CA 0.710 56.776 56.100 -0.056 0.000 0.960 332 R CB -0.991 29.303 30.300 -0.010 0.000 0.856 332 R HN 0.110 nan 8.270 nan 0.000 0.436 333 L N 1.188 122.361 121.223 -0.083 0.000 1.990 333 L HA -0.177 4.162 4.340 -0.000 0.000 0.213 333 L C 2.304 178.985 176.870 -0.315 0.000 1.072 333 L CA 2.414 57.186 54.840 -0.114 0.000 0.755 333 L CB -0.820 41.217 42.059 -0.037 0.000 0.889 333 L HN 0.462 nan 8.230 nan 0.000 0.432 334 E N -0.893 118.992 120.200 -0.524 0.000 2.051 334 E HA -0.288 4.062 4.350 -0.000 0.000 0.192 334 E C 2.124 178.266 176.600 -0.763 0.000 0.991 334 E CA 1.433 57.097 56.400 -1.226 0.000 0.799 334 E CB -0.255 28.853 29.700 -0.987 0.000 0.748 334 E HN 0.637 nan 8.360 nan 0.000 0.449 335 E N -0.244 119.723 120.200 -0.389 0.000 2.038 335 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 335 E C 2.076 178.572 176.600 -0.173 0.000 1.000 335 E CA 1.443 57.710 56.400 -0.222 0.000 0.803 335 E CB -0.422 29.198 29.700 -0.134 0.000 0.750 335 E HN 0.354 nan 8.360 nan 0.000 0.448 336 G N 1.298 110.007 108.800 -0.152 0.000 2.421 336 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 336 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 336 G C 1.672 176.523 174.900 -0.082 0.000 1.171 336 G CA 0.981 46.026 45.100 -0.092 0.000 0.775 336 G HN 0.285 nan 8.290 nan 0.000 0.543 337 I N 0.911 121.402 120.570 -0.131 0.000 2.252 337 I HA -0.136 4.033 4.170 -0.000 0.000 0.245 337 I C 2.985 179.075 176.117 -0.046 0.000 1.102 337 I CA 0.970 62.230 61.300 -0.066 0.000 1.385 337 I CB -0.149 37.769 38.000 -0.135 0.000 1.064 337 I HN 0.087 nan 8.210 nan 0.000 0.414 338 S N 0.589 116.201 115.700 -0.148 0.000 2.368 338 S HA -0.129 4.340 4.470 -0.000 0.000 0.225 338 S C 2.004 176.502 174.600 -0.171 0.000 1.030 338 S CA 1.071 59.175 58.200 -0.159 0.000 0.999 338 S CB -0.108 63.110 63.200 0.030 0.000 0.844 338 S HN 0.293 nan 8.310 nan 0.000 0.459 339 K N 1.892 122.244 120.400 -0.079 0.000 2.026 339 K HA 0.099 4.418 4.320 -0.000 0.000 0.208 339 K C 2.383 178.957 176.600 -0.043 0.000 1.048 339 K CA 1.230 57.487 56.287 -0.049 0.000 0.929 339 K CB -0.937 31.540 32.500 -0.037 0.000 0.713 339 K HN 0.346 nan 8.250 nan 0.000 0.439 340 A N 1.688 124.528 122.820 0.034 0.000 1.892 340 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 340 A C 2.458 180.198 177.584 0.261 0.000 1.188 340 A CA 2.521 54.684 52.037 0.210 0.000 0.631 340 A CB -0.760 18.441 19.000 0.336 0.000 0.822 340 A HN 0.330 nan 8.150 nan 0.000 0.447 341 A N -0.445 122.385 122.820 0.016 0.000 1.877 341 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 341 A C 1.918 179.347 177.584 -0.259 0.000 1.186 341 A CA 1.716 53.477 52.037 -0.461 0.000 0.620 341 A CB -0.644 17.755 19.000 -1.002 0.000 0.822 341 A HN 0.644 nan 8.150 nan 0.000 0.443 342 E N -0.291 119.794 120.200 -0.192 0.000 2.049 342 E HA -0.207 4.143 4.350 -0.000 0.000 0.198 342 E C 2.315 178.875 176.600 -0.066 0.000 1.007 342 E CA 1.204 57.596 56.400 -0.014 0.000 0.809 342 E CB -0.357 29.360 29.700 0.028 0.000 0.749 342 E HN 0.614 nan 8.360 nan 0.000 0.450 343 A N 0.758 123.488 122.820 -0.151 0.000 1.978 343 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 343 A C 1.226 178.594 177.584 -0.360 0.000 1.170 343 A CA 1.680 53.542 52.037 -0.292 0.000 0.636 343 A CB -0.625 18.108 19.000 -0.445 0.000 0.810 343 A HN 0.333 nan 8.150 nan 0.000 0.448 344 H N -2.017 117.068 119.070 0.025 0.000 2.528 344 H HA 0.408 4.964 4.556 0.000 0.000 0.282 344 H C 1.290 176.610 175.328 -0.013 0.000 1.097 344 H CA 0.126 56.190 56.048 0.027 0.000 1.121 344 H CB 0.242 30.058 29.762 0.089 0.000 1.590 344 H HN 0.548 nan 8.280 nan 0.000 0.553 345 G N 1.534 110.359 108.800 0.043 0.000 2.258 345 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.274 345 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.274 345 G C -0.025 174.886 174.900 0.018 0.000 1.021 345 G CA 0.029 45.150 45.100 0.034 0.000 0.798 345 G HN 0.282 nan 8.290 nan 0.000 0.507 346 I N 0.926 121.470 120.570 -0.044 0.000 2.379 346 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 346 I C -1.816 174.358 176.117 0.094 0.000 1.063 346 I CA -2.980 58.261 61.300 -0.098 0.000 1.351 346 I CB 0.474 38.177 38.000 -0.495 0.000 1.410 346 I HN -0.122 nan 8.210 nan 0.000 0.505 347 P HA 0.111 nan 4.420 nan 0.000 0.267 347 P C -0.615 176.860 177.300 0.291 0.000 1.205 347 P CA 0.649 63.857 63.100 0.180 0.000 0.765 347 P CB 0.325 32.092 31.700 0.112 0.000 0.828 348 H N 0.012 119.120 119.070 0.063 0.000 3.079 348 H HA 0.667 5.223 4.556 -0.000 0.000 0.356 348 H C -1.804 173.578 175.328 0.090 0.000 1.221 348 H CA -0.786 55.301 56.048 0.065 0.000 1.185 348 H CB 1.312 31.105 29.762 0.051 0.000 1.882 348 H HN 0.293 nan 8.280 nan 0.000 0.543 349 T N 2.671 117.275 114.554 0.085 0.000 3.172 349 T HA 0.459 4.809 4.350 -0.000 0.000 0.320 349 T C -1.688 173.131 174.700 0.198 0.000 1.085 349 T CA -0.448 61.709 62.100 0.095 0.000 1.052 349 T CB 0.465 69.360 68.868 0.044 0.000 1.107 349 T HN 0.346 nan 8.240 nan 0.000 0.458 350 F N 3.997 124.042 119.950 0.157 0.000 2.385 350 F HA 0.594 5.121 4.527 0.000 0.000 0.336 350 F C 0.805 176.701 175.800 0.159 0.000 1.100 350 F CA -0.518 57.580 58.000 0.164 0.000 1.116 350 F CB 1.318 40.370 39.000 0.085 0.000 1.166 350 F HN 0.430 nan 8.300 nan 0.000 0.511 351 N N 3.363 122.251 118.700 0.314 0.000 2.372 351 N HA 0.408 5.148 4.740 -0.000 0.000 0.285 351 N C -0.999 174.643 175.510 0.219 0.000 1.008 351 N CA -0.743 52.461 53.050 0.258 0.000 0.880 351 N CB 1.653 40.311 38.487 0.285 0.000 1.239 351 N HN 0.347 nan 8.380 nan 0.000 0.484 352 R N 0.908 121.524 120.500 0.194 0.000 2.494 352 R HA 0.767 5.107 4.340 -0.000 0.000 0.305 352 R C -0.942 175.461 176.300 0.171 0.000 0.959 352 R CA -0.873 55.323 56.100 0.160 0.000 0.864 352 R CB 1.774 32.161 30.300 0.146 0.000 1.159 352 R HN 0.567 nan 8.270 nan 0.000 0.446 353 A N 1.552 124.449 122.820 0.128 0.000 2.651 353 A HA 0.583 4.903 4.320 -0.000 0.000 0.290 353 A C 0.658 178.164 177.584 -0.131 0.000 1.185 353 A CA 0.049 52.183 52.037 0.162 0.000 0.746 353 A CB 0.788 19.951 19.000 0.271 0.000 1.213 353 A HN 0.861 nan 8.150 nan 0.000 0.429 354 G N 1.833 110.410 108.800 -0.371 0.000 2.596 354 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.304 354 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.304 354 G C 1.195 175.991 174.900 -0.173 0.000 1.189 354 G CA 0.810 45.465 45.100 -0.742 0.000 0.986 354 G HN 1.443 nan 8.290 nan 0.000 0.548 355 S N 1.156 116.809 115.700 -0.080 0.000 2.575 355 S HA 0.384 4.854 4.470 -0.000 0.000 0.215 355 S C 0.978 175.573 174.600 -0.008 0.000 0.966 355 S CA 0.299 58.562 58.200 0.105 0.000 0.911 355 S CB 0.006 63.443 63.200 0.394 0.000 0.780 355 S HN 0.389 nan 8.310 nan 0.000 0.514 356 M N 1.887 121.459 119.600 -0.047 0.000 2.188 356 M HA 0.488 4.968 4.480 -0.000 0.000 0.357 356 M C -0.566 175.716 176.300 -0.029 0.000 1.204 356 M CA 0.074 55.331 55.300 -0.072 0.000 1.095 356 M CB 1.227 33.791 32.600 -0.061 0.000 1.604 356 M HN 0.207 nan 8.290 nan 0.000 0.464 357 I N 1.542 122.076 120.570 -0.060 0.000 2.769 357 I HA 0.905 5.075 4.170 -0.000 0.000 0.298 357 I C -0.917 175.169 176.117 -0.050 0.000 1.128 357 I CA -0.246 61.070 61.300 0.027 0.000 1.031 357 I CB 2.345 40.399 38.000 0.091 0.000 1.235 357 I HN 0.736 nan 8.210 nan 0.000 0.423 358 G N 5.403 114.194 108.800 -0.016 0.000 2.556 358 G HA2 0.505 4.465 3.960 -0.000 0.000 0.294 358 G HA3 0.505 4.465 3.960 -0.000 0.000 0.294 358 G C -1.889 172.735 174.900 -0.459 0.000 1.516 358 G CA -0.595 44.349 45.100 -0.260 0.000 0.824 358 G HN 0.701 nan 8.290 nan 0.000 0.535 359 F N -0.382 118.934 119.950 -1.056 0.000 2.593 359 F HA 0.938 5.465 4.527 0.000 0.000 0.320 359 F C -1.758 173.329 175.800 -1.188 0.000 1.060 359 F CA -2.651 54.602 58.000 -1.245 0.000 0.940 359 F CB 1.509 39.299 39.000 -2.017 0.000 1.268 359 F HN 0.353 nan 8.300 nan 0.000 0.475 360 F N 1.212 120.808 119.950 -0.591 0.000 2.532 360 F HA 0.513 5.040 4.527 -0.000 0.000 0.321 360 F C -0.700 174.820 175.800 -0.466 0.000 1.089 360 F CA -0.900 56.761 58.000 -0.565 0.000 0.926 360 F CB 1.566 40.368 39.000 -0.331 0.000 1.168 360 F HN 0.305 nan 8.300 nan 0.000 0.459 361 F N 1.591 121.496 119.950 -0.075 0.000 2.659 361 F HA 0.337 4.864 4.527 0.000 0.000 0.360 361 F C 0.577 176.374 175.800 -0.004 0.000 1.218 361 F CA -0.042 57.943 58.000 -0.025 0.000 1.317 361 F CB -0.224 38.741 39.000 -0.059 0.000 1.697 361 F HN 0.331 nan 8.300 nan 0.000 0.637 362 T N -0.461 114.170 114.554 0.129 0.000 2.889 362 T HA 0.234 4.584 4.350 -0.000 0.000 0.315 362 T C 0.605 175.312 174.700 0.011 0.000 1.291 362 T CA -0.703 61.429 62.100 0.054 0.000 1.028 362 T CB 1.068 69.933 68.868 -0.005 0.000 1.235 362 T HN 0.148 nan 8.240 nan 0.000 0.491 363 N N 1.556 120.244 118.700 -0.019 0.000 2.422 363 N HA 0.075 4.815 4.740 -0.000 0.000 0.181 363 N C -0.167 175.301 175.510 -0.070 0.000 1.080 363 N CA 0.291 53.299 53.050 -0.070 0.000 0.893 363 N CB 0.351 38.802 38.487 -0.059 0.000 0.973 363 N HN 0.587 nan 8.380 nan 0.000 0.456 364 E N 1.980 122.143 120.200 -0.062 0.000 2.313 364 E HA 0.211 4.561 4.350 -0.000 0.000 0.276 364 E C -2.162 174.380 176.600 -0.096 0.000 1.031 364 E CA -2.101 54.256 56.400 -0.072 0.000 0.857 364 E CB 0.552 30.210 29.700 -0.071 0.000 1.040 364 E HN 0.128 nan 8.360 nan 0.000 0.408 365 P HA -0.014 nan 4.420 nan 0.000 0.264 365 P C -0.235 176.969 177.300 -0.160 0.000 1.193 365 P CA -0.006 63.039 63.100 -0.091 0.000 0.763 365 P CB 0.489 32.155 31.700 -0.057 0.000 0.810 366 V N 5.870 125.638 119.914 -0.243 0.000 2.334 366 V HA 0.130 4.249 4.120 -0.000 0.000 0.267 366 V C 1.495 177.449 176.094 -0.235 0.000 1.040 366 V CA 0.007 62.063 62.300 -0.406 0.000 0.866 366 V CB 0.240 31.431 31.823 -1.054 0.000 1.019 366 V HN 0.512 nan 8.190 nan 0.000 0.468 367 I N 1.747 122.223 120.570 -0.156 0.000 4.154 367 I HA 0.496 4.665 4.170 -0.000 0.000 0.334 367 I C 0.345 176.447 176.117 -0.025 0.000 1.371 367 I CA -0.183 61.071 61.300 -0.077 0.000 1.110 367 I CB 0.339 38.293 38.000 -0.077 0.000 1.085 367 I HN 0.670 nan 8.210 nan 0.000 0.398 368 N N -1.407 117.268 118.700 -0.043 0.000 3.339 368 N HA 0.070 4.810 4.740 -0.000 0.000 0.275 368 N C -0.013 175.522 175.510 0.043 0.000 1.514 368 N CA -0.799 52.275 53.050 0.041 0.000 0.879 368 N CB 0.392 38.911 38.487 0.054 0.000 1.557 368 N HN -0.104 nan 8.380 nan 0.000 0.524 369 Y N 0.084 120.355 120.300 -0.049 0.000 2.200 369 Y HA 0.025 4.575 4.550 -0.001 0.000 0.290 369 Y C 2.196 178.076 175.900 -0.033 0.000 1.137 369 Y CA 2.357 60.426 58.100 -0.051 0.000 1.163 369 Y CB -0.250 38.174 38.460 -0.059 0.000 0.988 369 Y HN 0.840 nan 8.280 nan 0.000 0.518 370 E N -0.721 119.435 120.200 -0.073 0.000 2.058 370 E HA -0.229 4.120 4.350 -0.000 0.000 0.194 370 E C 1.958 178.469 176.600 -0.148 0.000 0.997 370 E CA 2.410 58.720 56.400 -0.150 0.000 0.801 370 E CB -0.214 29.445 29.700 -0.068 0.000 0.746 370 E HN 0.584 nan 8.360 nan 0.000 0.450 371 T N -1.933 112.543 114.554 -0.130 0.000 2.985 371 T HA 0.145 4.494 4.350 -0.000 0.000 0.266 371 T C 1.938 176.491 174.700 -0.245 0.000 1.076 371 T CA 0.735 62.735 62.100 -0.167 0.000 1.135 371 T CB -0.096 68.671 68.868 -0.167 0.000 0.890 371 T HN 0.243 nan 8.240 nan 0.000 0.480 372 A N 2.207 124.881 122.820 -0.244 0.000 1.969 372 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 372 A C 2.294 179.864 177.584 -0.024 0.000 1.169 372 A CA 1.216 53.111 52.037 -0.237 0.000 0.635 372 A CB -0.517 18.514 19.000 0.052 0.000 0.810 372 A HN 0.559 nan 8.150 nan 0.000 0.445 373 K N -0.131 120.246 120.400 -0.038 0.000 2.486 373 K HA 0.169 4.489 4.320 -0.000 0.000 0.194 373 K C 1.648 178.217 176.600 -0.052 0.000 1.033 373 K CA 0.584 56.864 56.287 -0.013 0.000 1.004 373 K CB -0.099 32.258 32.500 -0.240 0.000 0.798 373 K HN 0.425 nan 8.250 nan 0.000 0.495 374 A N 0.866 123.633 122.820 -0.088 0.000 2.208 374 A HA 0.056 4.376 4.320 -0.000 0.000 0.209 374 A C 0.603 178.155 177.584 -0.053 0.000 1.161 374 A CA 0.142 52.135 52.037 -0.073 0.000 0.782 374 A CB 0.054 19.001 19.000 -0.088 0.000 0.816 374 A HN 0.085 nan 8.150 nan 0.000 0.477 375 S N 1.154 116.815 115.700 -0.064 0.000 2.572 375 S HA 0.116 4.586 4.470 -0.000 0.000 0.279 375 S C -0.024 174.577 174.600 0.003 0.000 1.341 375 S CA -0.336 57.851 58.200 -0.023 0.000 1.043 375 S CB 0.662 63.825 63.200 -0.061 0.000 0.887 375 S HN 0.434 nan 8.310 nan 0.000 0.516 376 D N 2.086 122.530 120.400 0.073 0.000 2.455 376 D HA 0.087 4.727 4.640 -0.000 0.000 0.234 376 D C 1.005 177.340 176.300 0.058 0.000 1.224 376 D CA 0.021 54.051 54.000 0.050 0.000 0.999 376 D CB -0.096 40.725 40.800 0.036 0.000 1.072 376 D HN 0.446 nan 8.370 nan 0.000 0.514 377 L N 2.767 124.006 121.223 0.026 0.000 2.083 377 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 377 L C 2.388 179.313 176.870 0.092 0.000 1.083 377 L CA 0.716 55.579 54.840 0.038 0.000 0.752 377 L CB -0.240 41.826 42.059 0.012 0.000 0.899 377 L HN 0.195 nan 8.230 nan 0.000 0.433 378 K N 0.097 120.526 120.400 0.047 0.000 2.057 378 K HA -0.135 4.184 4.320 -0.000 0.000 0.206 378 K C 2.039 178.644 176.600 0.007 0.000 1.050 378 K CA 1.009 57.318 56.287 0.036 0.000 0.935 378 K CB -0.564 31.945 32.500 0.016 0.000 0.715 378 K HN 0.122 nan 8.250 nan 0.000 0.439 379 L N 0.733 121.921 121.223 -0.058 0.000 2.042 379 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 379 L C 2.145 178.857 176.870 -0.263 0.000 1.076 379 L CA 1.542 56.252 54.840 -0.216 0.000 0.749 379 L CB -0.870 40.966 42.059 -0.371 0.000 0.893 379 L HN 0.101 nan 8.230 nan 0.000 0.432 380 F N 0.265 120.073 119.950 -0.236 0.000 2.134 380 F HA -0.172 4.355 4.527 -0.001 0.000 0.299 380 F C 2.316 178.218 175.800 0.170 0.000 1.097 380 F CA 1.721 59.758 58.000 0.063 0.000 1.264 380 F CB -0.525 38.582 39.000 0.179 0.000 1.001 380 F HN 0.170 nan 8.300 nan 0.000 0.479 381 A N -0.754 122.203 122.820 0.229 0.000 1.892 381 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 381 A C 2.373 179.986 177.584 0.048 0.000 1.188 381 A CA 2.259 54.373 52.037 0.129 0.000 0.631 381 A CB -1.529 17.538 19.000 0.111 0.000 0.822 381 A HN 0.464 nan 8.150 nan 0.000 0.447 382 S N -2.079 113.637 115.700 0.026 0.000 2.345 382 S HA -0.176 4.294 4.470 -0.000 0.000 0.220 382 S C 1.897 176.503 174.600 0.010 0.000 1.031 382 S CA 1.553 59.762 58.200 0.015 0.000 0.996 382 S CB -0.572 62.629 63.200 0.001 0.000 0.882 382 S HN 0.717 nan 8.310 nan 0.000 0.445 383 Y N 0.829 121.039 120.300 -0.150 0.000 2.114 383 Y HA -0.269 4.280 4.550 -0.000 0.000 0.282 383 Y C 2.051 177.863 175.900 -0.147 0.000 1.165 383 Y CA 2.215 60.237 58.100 -0.129 0.000 1.148 383 Y CB -1.038 37.331 38.460 -0.152 0.000 0.972 383 Y HN 0.453 nan 8.280 nan 0.000 0.504 384 Y N 1.535 121.487 120.300 -0.580 0.000 2.128 384 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 384 Y C 2.761 178.460 175.900 -0.336 0.000 1.154 384 Y CA 2.571 60.292 58.100 -0.632 0.000 1.149 384 Y CB -0.533 37.609 38.460 -0.530 0.000 0.976 384 Y HN 0.234 nan 8.280 nan 0.000 0.505 385 K N -0.294 120.094 120.400 -0.020 0.000 2.032 385 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 385 K C 2.289 178.829 176.600 -0.101 0.000 1.048 385 K CA 1.657 57.936 56.287 -0.013 0.000 0.927 385 K CB -0.845 31.674 32.500 0.031 0.000 0.712 385 K HN 0.470 nan 8.250 nan 0.000 0.441 386 G N 1.088 109.806 108.800 -0.138 0.000 2.442 386 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 386 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 386 G C 1.452 176.231 174.900 -0.202 0.000 1.141 386 G CA 0.732 45.751 45.100 -0.134 0.000 0.763 386 G HN 0.196 nan 8.290 nan 0.000 0.554 387 M N 0.940 120.309 119.600 -0.384 0.000 2.156 387 M HA 0.151 4.631 4.480 -0.000 0.000 0.264 387 M C 3.068 179.238 176.300 -0.216 0.000 1.067 387 M CA 1.171 56.237 55.300 -0.389 0.000 1.131 387 M CB -1.224 30.976 32.600 -0.666 0.000 1.368 387 M HN 0.300 nan 8.290 nan 0.000 0.416 388 A N 1.035 123.704 122.820 -0.252 0.000 1.908 388 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 388 A C 2.010 179.736 177.584 0.235 0.000 1.181 388 A CA 1.847 53.927 52.037 0.071 0.000 0.627 388 A CB -0.853 18.159 19.000 0.020 0.000 0.818 388 A HN 0.502 nan 8.150 nan 0.000 0.445 389 N N -0.102 118.677 118.700 0.131 0.000 2.309 389 N HA -0.094 4.646 4.740 -0.000 0.000 0.182 389 N C 1.020 176.530 175.510 0.001 0.000 1.018 389 N CA 1.035 54.156 53.050 0.118 0.000 0.876 389 N CB -0.165 38.376 38.487 0.089 0.000 0.972 389 N HN 0.453 nan 8.380 nan 0.000 0.434 390 E N -0.209 119.972 120.200 -0.032 0.000 2.489 390 E HA 0.118 4.468 4.350 -0.000 0.000 0.193 390 E C 0.685 177.250 176.600 -0.059 0.000 1.057 390 E CA -0.015 56.350 56.400 -0.057 0.000 0.866 390 E CB -0.064 29.592 29.700 -0.074 0.000 0.916 390 E HN 0.357 nan 8.360 nan 0.000 0.500 391 G N 0.683 109.452 108.800 -0.051 0.000 2.165 391 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.226 391 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.226 391 G C -0.028 174.918 174.900 0.077 0.000 1.035 391 G CA 0.190 45.230 45.100 -0.099 0.000 0.744 391 G HN 0.114 nan 8.290 nan 0.000 0.501 392 V N 0.720 120.735 119.914 0.170 0.000 2.409 392 V HA 0.583 4.703 4.120 -0.000 0.000 0.290 392 V C -0.287 175.945 176.094 0.230 0.000 1.017 392 V CA -0.979 61.445 62.300 0.208 0.000 0.841 392 V CB 1.494 33.374 31.823 0.094 0.000 1.003 392 V HN 0.424 nan 8.190 nan 0.000 0.426 393 F N 6.928 126.944 119.950 0.110 0.000 2.375 393 F HA 0.631 5.157 4.527 -0.001 0.000 0.362 393 F C -0.336 175.479 175.800 0.026 0.000 1.129 393 F CA -0.736 57.209 58.000 -0.091 0.000 1.154 393 F CB 0.287 39.135 39.000 -0.253 0.000 1.205 393 F HN 0.315 nan 8.300 nan 0.000 0.513 394 L N 7.081 128.071 121.223 -0.388 0.000 2.358 394 L HA 0.519 4.859 4.340 -0.000 0.000 0.268 394 L C -2.189 174.519 176.870 -0.271 0.000 1.032 394 L CA -2.414 52.305 54.840 -0.202 0.000 0.805 394 L CB 1.057 43.103 42.059 -0.021 0.000 1.253 394 L HN 0.399 nan 8.230 nan 0.000 0.452 395 P HA 0.026 nan 4.420 nan 0.000 0.263 395 P C -2.310 175.027 177.300 0.061 0.000 1.195 395 P CA -0.831 62.194 63.100 -0.125 0.000 0.762 395 P CB -0.076 31.736 31.700 0.186 0.000 0.799 396 P HA 0.019 nan 4.420 nan 0.000 0.232 396 P C -0.506 176.639 177.300 -0.258 0.000 1.738 396 P CA 0.687 63.327 63.100 -0.767 0.000 0.948 396 P CB -0.082 30.737 31.700 -1.468 0.000 1.943 397 S N 0.471 116.156 115.700 -0.026 0.000 2.560 397 S HA 0.177 4.647 4.470 -0.000 0.000 0.283 397 S C 0.722 174.824 174.600 -0.830 0.000 1.141 397 S CA -0.436 57.621 58.200 -0.238 0.000 0.902 397 S CB 1.593 64.738 63.200 -0.091 0.000 1.104 397 S HN 0.013 nan 8.310 nan 0.000 0.454 398 Q N 3.069 121.995 119.800 -1.457 0.000 2.224 398 Q HA 0.176 4.516 4.340 -0.000 0.000 0.203 398 Q C 0.057 175.472 176.000 -0.975 0.000 0.970 398 Q CA 1.824 56.596 55.803 -1.719 0.000 0.865 398 Q CB -0.268 27.637 28.738 -1.388 0.000 0.922 398 Q HN 0.743 nan 8.270 nan 0.000 0.445 399 F N 1.463 121.176 119.950 -0.395 0.000 2.913 399 F HA 0.319 4.846 4.527 -0.001 0.000 0.293 399 F C 0.028 175.725 175.800 -0.172 0.000 1.223 399 F CA -0.205 57.684 58.000 -0.185 0.000 1.393 399 F CB 0.220 39.165 39.000 -0.093 0.000 1.102 399 F HN -0.091 nan 8.300 nan 0.000 0.524 400 E N -0.468 119.650 120.200 -0.137 0.000 2.383 400 E HA 0.431 4.781 4.350 -0.000 0.000 0.275 400 E C 0.099 176.565 176.600 -0.223 0.000 0.918 400 E CA -0.570 55.809 56.400 -0.036 0.000 0.764 400 E CB 2.066 31.897 29.700 0.218 0.000 1.252 400 E HN 0.245 nan 8.360 nan 0.000 0.449 401 G N 0.446 109.072 108.800 -0.289 0.000 2.510 401 G HA2 0.546 4.505 3.960 -0.000 0.000 0.280 401 G HA3 0.546 4.505 3.960 -0.000 0.000 0.280 401 G C -0.532 174.135 174.900 -0.387 0.000 1.386 401 G CA -0.564 44.289 45.100 -0.412 0.000 1.047 401 G HN 0.276 nan 8.290 nan 0.000 0.527 402 L N 0.359 121.391 121.223 -0.317 0.000 2.276 402 L HA 0.352 4.692 4.340 -0.000 0.000 0.286 402 L C -0.943 175.824 176.870 -0.172 0.000 1.024 402 L CA -0.466 54.296 54.840 -0.130 0.000 0.826 402 L CB 1.111 43.131 42.059 -0.066 0.000 1.211 402 L HN 0.250 nan 8.230 nan 0.000 0.422 403 F N 4.067 124.041 119.950 0.039 0.000 2.445 403 F HA 0.351 4.878 4.527 -0.000 0.000 0.359 403 F C 0.365 176.060 175.800 -0.176 0.000 1.101 403 F CA -0.162 57.796 58.000 -0.071 0.000 1.177 403 F CB 0.572 39.521 39.000 -0.086 0.000 1.110 403 F HN 0.249 nan 8.300 nan 0.000 0.522 404 L N 3.092 124.187 121.223 -0.215 0.000 2.344 404 L HA 0.601 4.941 4.340 -0.000 0.000 0.272 404 L C 0.204 176.786 176.870 -0.480 0.000 1.035 404 L CA -0.585 53.947 54.840 -0.514 0.000 0.807 404 L CB 1.849 43.641 42.059 -0.445 0.000 1.237 404 L HN 0.714 nan 8.230 nan 0.000 0.442 405 S N -1.947 113.603 115.700 -0.250 0.000 2.677 405 S HA 0.327 4.797 4.470 -0.000 0.000 0.304 405 S C 0.667 175.540 174.600 0.455 0.000 1.108 405 S CA 0.019 58.304 58.200 0.143 0.000 0.944 405 S CB 1.611 64.967 63.200 0.260 0.000 1.127 405 S HN 0.728 nan 8.310 nan 0.000 0.511 406 T N -2.164 112.645 114.554 0.425 0.000 3.035 406 T HA 0.116 4.466 4.350 -0.000 0.000 0.268 406 T C 1.603 176.412 174.700 0.182 0.000 1.109 406 T CA 0.786 63.044 62.100 0.262 0.000 1.119 406 T CB -0.597 68.335 68.868 0.108 0.000 0.900 406 T HN 0.904 nan 8.240 nan 0.000 0.503 407 A N 0.408 123.346 122.820 0.198 0.000 2.132 407 A HA 0.229 4.549 4.320 -0.000 0.000 0.213 407 A C 0.552 178.183 177.584 0.079 0.000 1.154 407 A CA -0.214 51.890 52.037 0.112 0.000 0.753 407 A CB -0.672 18.374 19.000 0.076 0.000 0.826 407 A HN 0.622 nan 8.150 nan 0.000 0.469 408 H N 1.519 120.619 119.070 0.050 0.000 3.046 408 H HA 0.284 4.839 4.556 -0.000 0.000 0.303 408 H C 0.998 176.358 175.328 0.054 0.000 1.002 408 H CA 1.166 57.232 56.048 0.030 0.000 1.460 408 H CB 0.493 30.274 29.762 0.033 0.000 1.493 408 H HN 0.387 nan 8.280 nan 0.000 0.559 409 T N -0.360 114.251 114.554 0.094 0.000 2.936 409 T HA 0.118 4.468 4.350 -0.000 0.000 0.282 409 T C 1.055 175.810 174.700 0.091 0.000 1.003 409 T CA -1.007 61.138 62.100 0.075 0.000 1.005 409 T CB 1.312 70.199 68.868 0.031 0.000 1.097 409 T HN 0.413 nan 8.240 nan 0.000 0.532 410 D N 0.178 120.619 120.400 0.069 0.000 2.123 410 D HA -0.132 4.508 4.640 -0.000 0.000 0.196 410 D C 1.740 178.074 176.300 0.057 0.000 0.992 410 D CA 1.438 55.476 54.000 0.063 0.000 0.833 410 D CB -0.143 40.682 40.800 0.042 0.000 0.954 410 D HN 0.869 nan 8.370 nan 0.000 0.455 411 E N 0.521 120.746 120.200 0.041 0.000 2.085 411 E HA -0.188 4.161 4.350 -0.000 0.000 0.194 411 E C 1.377 178.002 176.600 0.042 0.000 0.994 411 E CA 1.168 57.587 56.400 0.031 0.000 0.801 411 E CB 0.205 29.914 29.700 0.016 0.000 0.743 411 E HN 0.117 nan 8.360 nan 0.000 0.453 412 D N 0.566 120.995 120.400 0.049 0.000 2.104 412 D HA -0.190 4.450 4.640 -0.000 0.000 0.194 412 D C 1.962 178.358 176.300 0.160 0.000 0.994 412 D CA 0.948 54.991 54.000 0.072 0.000 0.830 412 D CB -0.166 40.650 40.800 0.028 0.000 0.959 412 D HN 0.267 nan 8.370 nan 0.000 0.452 413 I N 1.412 122.086 120.570 0.174 0.000 2.179 413 I HA -0.175 3.994 4.170 -0.000 0.000 0.242 413 I C 2.255 178.430 176.117 0.097 0.000 1.088 413 I CA 1.092 62.498 61.300 0.176 0.000 1.357 413 I CB -1.037 37.047 38.000 0.140 0.000 1.051 413 I HN -0.015 nan 8.210 nan 0.000 0.409 414 E N 1.115 121.354 120.200 0.065 0.000 2.038 414 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 414 E C 1.925 178.543 176.600 0.029 0.000 1.000 414 E CA 1.069 57.489 56.400 0.035 0.000 0.803 414 E CB -0.593 29.122 29.700 0.025 0.000 0.750 414 E HN 0.480 nan 8.360 nan 0.000 0.448 415 N N 0.257 118.980 118.700 0.037 0.000 2.149 415 N HA -0.098 4.642 4.740 -0.000 0.000 0.188 415 N C 1.831 177.361 175.510 0.033 0.000 1.019 415 N CA 1.466 54.531 53.050 0.025 0.000 0.857 415 N CB -0.618 37.881 38.487 0.020 0.000 0.997 415 N HN 0.169 nan 8.380 nan 0.000 0.426 416 T N 1.639 116.240 114.554 0.078 0.000 2.746 416 T HA 0.023 4.373 4.350 -0.000 0.000 0.267 416 T C 2.130 176.826 174.700 -0.008 0.000 1.039 416 T CA 0.648 62.793 62.100 0.075 0.000 1.142 416 T CB -0.139 68.829 68.868 0.166 0.000 0.866 416 T HN 0.177 nan 8.240 nan 0.000 0.444 417 I N 0.995 121.560 120.570 -0.007 0.000 2.179 417 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 417 I C 2.849 178.938 176.117 -0.046 0.000 1.088 417 I CA 1.385 62.662 61.300 -0.038 0.000 1.357 417 I CB -0.421 37.565 38.000 -0.023 0.000 1.051 417 I HN 0.268 nan 8.210 nan 0.000 0.409 418 Q N 0.515 120.300 119.800 -0.025 0.000 2.096 418 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 418 Q C 2.464 178.432 176.000 -0.052 0.000 0.982 418 Q CA 1.744 57.533 55.803 -0.024 0.000 0.850 418 Q CB -0.307 28.423 28.738 -0.012 0.000 0.901 418 Q HN 0.598 nan 8.270 nan 0.000 0.422 419 A N 0.950 123.732 122.820 -0.063 0.000 1.933 419 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 419 A C 2.240 179.721 177.584 -0.171 0.000 1.175 419 A CA 1.670 53.649 52.037 -0.096 0.000 0.628 419 A CB -0.659 18.294 19.000 -0.078 0.000 0.814 419 A HN 0.411 nan 8.150 nan 0.000 0.444 420 A N -0.338 122.352 122.820 -0.217 0.000 1.897 420 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 420 A C 1.876 179.125 177.584 -0.558 0.000 1.181 420 A CA 1.402 53.144 52.037 -0.492 0.000 0.620 420 A CB -0.450 18.277 19.000 -0.455 0.000 0.821 420 A HN 0.610 nan 8.150 nan 0.000 0.443 421 E N -0.122 119.971 120.200 -0.180 0.000 2.023 421 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 421 E C 2.099 178.692 176.600 -0.011 0.000 1.003 421 E CA 1.325 57.756 56.400 0.051 0.000 0.809 421 E CB -0.169 29.588 29.700 0.095 0.000 0.755 421 E HN 0.382 nan 8.360 nan 0.000 0.449 422 K N 1.044 121.407 120.400 -0.061 0.000 2.020 422 K HA -0.177 4.143 4.320 -0.000 0.000 0.212 422 K C 2.134 178.674 176.600 -0.099 0.000 1.050 422 K CA 1.310 57.553 56.287 -0.073 0.000 0.929 422 K CB -0.427 32.036 32.500 -0.062 0.000 0.714 422 K HN 0.045 nan 8.250 nan 0.000 0.443 423 V N 1.130 120.970 119.914 -0.124 0.000 2.358 423 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 423 V C 2.357 178.496 176.094 0.075 0.000 1.047 423 V CA 1.568 63.830 62.300 -0.064 0.000 1.035 423 V CB -0.601 31.161 31.823 -0.101 0.000 0.658 423 V HN 0.117 nan 8.190 nan 0.000 0.452 424 F N 0.985 120.940 119.950 0.008 0.000 2.134 424 F HA -0.075 4.451 4.527 -0.001 0.000 0.299 424 F C 2.467 178.052 175.800 -0.358 0.000 1.097 424 F CA 0.811 58.786 58.000 -0.041 0.000 1.264 424 F CB -1.600 37.487 39.000 0.145 0.000 1.001 424 F HN 0.120 nan 8.300 nan 0.000 0.479 425 A N 0.336 122.803 122.820 -0.589 0.000 1.851 425 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 425 A C 2.164 179.616 177.584 -0.220 0.000 1.195 425 A CA 2.044 53.633 52.037 -0.746 0.000 0.622 425 A CB -1.021 17.662 19.000 -0.527 0.000 0.831 425 A HN 0.336 nan 8.150 nan 0.000 0.444 426 E N 0.571 120.700 120.200 -0.119 0.000 2.065 426 E HA -0.228 4.122 4.350 -0.000 0.000 0.201 426 E C 1.620 178.211 176.600 -0.015 0.000 1.016 426 E CA 2.166 58.540 56.400 -0.045 0.000 0.818 426 E CB -0.666 29.018 29.700 -0.028 0.000 0.749 426 E HN 0.626 nan 8.360 nan 0.000 0.453 427 I N 0.306 120.884 120.570 0.012 0.000 2.226 427 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 427 I C 2.628 178.755 176.117 0.016 0.000 1.100 427 I CA 1.437 62.753 61.300 0.027 0.000 1.374 427 I CB -0.467 37.572 38.000 0.065 0.000 1.057 427 I HN 0.191 nan 8.210 nan 0.000 0.413 428 S N 0.554 116.263 115.700 0.016 0.000 2.423 428 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 428 S C 2.085 176.705 174.600 0.032 0.000 1.014 428 S CA 1.085 59.309 58.200 0.040 0.000 0.965 428 S CB -0.166 63.094 63.200 0.101 0.000 0.785 428 S HN 0.342 nan 8.310 nan 0.000 0.495 429 R N 0.489 120.997 120.500 0.014 0.000 2.236 429 R HA 0.136 4.476 4.340 -0.000 0.000 0.208 429 R C 1.201 177.509 176.300 0.014 0.000 1.036 429 R CA 0.258 56.367 56.100 0.017 0.000 1.001 429 R CB -0.036 30.269 30.300 0.007 0.000 0.896 429 R HN 0.361 nan 8.270 nan 0.000 0.464 430 R N 0.000 120.506 120.500 0.011 0.000 2.786 430 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 430 R CA 0.000 56.105 56.100 0.009 0.000 0.921 430 R CB 0.000 30.304 30.300 0.007 0.000 0.687 430 R HN 0.000 nan 8.270 nan 0.000 0.535