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 2ejw_1_F DATA FIRST_RESID 1 DATA SEQUENCE MEALKIALLG GGTVGSAFYN LVLERAEELS AFGVVPRFLG VLVRDPRKPR DATA SEQUENCE AIPQELLRAE PFDLLEADLV VEAMGGVEAP LRLVLPALEA GIPLITANKA DATA SEQUENCE LLAEAWESLR PFAEEGLIYH EASVMAGTPA LSFLETLRGS ELLELHGILN DATA SEQUENCE GTTLYILQEM EKGRTYAEAL LEAQRLGYAE ADPTLDVEGI DAAHKLTLLA DATA SEQUENCE RLLVDPGFPF AEVEAQGIAR LTPEVLQKAE ARGERVRLVA SLFGEGGRWR DATA SEQUENCE AAVAPRRLPQ DHPLARARGN ALWVRARPLG EAFVTGPGAG GGATASGLFA DATA SEQUENCE DLLRFLSGAP GHLPAPRARP PLEEGSPWPG V 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 0.000 176.314 176.300 0.023 0.000 1.140 1 M CA 0.000 55.312 55.300 0.021 0.000 0.988 1 M CB 0.000 32.616 32.600 0.027 0.000 1.302 2 E N 0.178 120.395 120.200 0.028 0.000 2.372 2 E HA 0.657 5.007 4.350 0.000 0.000 0.279 2 E C -1.593 175.024 176.600 0.028 0.000 0.946 2 E CA -0.591 55.825 56.400 0.027 0.000 0.769 2 E CB 2.897 32.616 29.700 0.031 0.000 1.230 2 E HN 0.555 nan 8.360 nan 0.000 0.442 3 A N 1.887 124.720 122.820 0.022 0.000 2.354 3 A HA 0.479 4.800 4.320 0.000 0.000 0.269 3 A C -0.741 176.849 177.584 0.010 0.000 1.109 3 A CA -0.332 51.713 52.037 0.013 0.000 0.800 3 A CB 0.326 19.332 19.000 0.009 0.000 1.045 3 A HN 0.368 nan 8.150 nan 0.000 0.489 4 L N 2.281 123.498 121.223 -0.009 0.000 2.301 4 L HA 0.386 4.726 4.340 0.000 0.000 0.278 4 L C -0.254 176.566 176.870 -0.082 0.000 1.022 4 L CA -0.108 54.720 54.840 -0.020 0.000 0.854 4 L CB 0.606 42.655 42.059 -0.017 0.000 1.226 4 L HN 0.619 nan 8.230 nan 0.000 0.429 5 K N 6.536 126.896 120.400 -0.066 0.000 2.316 5 K HA 0.441 4.761 4.320 0.000 0.000 0.289 5 K C -0.824 175.700 176.600 -0.127 0.000 1.070 5 K CA 0.034 56.271 56.287 -0.083 0.000 0.928 5 K CB 0.820 33.304 32.500 -0.027 0.000 1.039 5 K HN 0.569 nan 8.250 nan 0.000 0.480 6 I N 2.371 122.811 120.570 -0.216 0.000 2.378 6 I HA 0.303 4.473 4.170 0.000 0.000 0.291 6 I C -0.214 175.904 176.117 0.002 0.000 0.992 6 I CA -0.848 60.324 61.300 -0.213 0.000 1.154 6 I CB 1.895 39.573 38.000 -0.538 0.000 1.315 6 I HN 0.564 nan 8.210 nan 0.000 0.448 7 A N 7.053 129.935 122.820 0.103 0.000 2.271 7 A HA 0.682 5.002 4.320 0.000 0.000 0.317 7 A C -1.007 176.744 177.584 0.279 0.000 1.245 7 A CA -0.432 51.772 52.037 0.278 0.000 0.857 7 A CB 0.900 20.013 19.000 0.188 0.000 1.175 7 A HN 0.586 nan 8.150 nan 0.000 0.512 8 L N 3.766 125.246 121.223 0.430 0.000 2.296 8 L HA 0.591 4.931 4.340 0.000 0.000 0.286 8 L C -0.954 176.074 176.870 0.263 0.000 1.023 8 L CA -0.275 54.773 54.840 0.347 0.000 0.812 8 L CB 1.072 43.415 42.059 0.473 0.000 1.223 8 L HN 0.594 nan 8.230 nan 0.000 0.421 9 L N 6.266 127.566 121.223 0.129 0.000 2.283 9 L HA 0.777 5.117 4.340 0.000 0.000 0.281 9 L C 0.228 177.131 176.870 0.056 0.000 1.033 9 L CA -0.519 54.367 54.840 0.076 0.000 0.848 9 L CB 0.799 42.852 42.059 -0.010 0.000 1.226 9 L HN 0.881 nan 8.230 nan 0.000 0.429 10 G N 1.525 110.366 108.800 0.069 0.000 3.400 10 G HA2 0.084 4.044 3.960 0.000 0.000 0.679 10 G HA3 0.084 4.044 3.960 0.000 0.000 0.679 10 G C -0.038 174.889 174.900 0.045 0.000 1.239 10 G CA -0.424 44.702 45.100 0.043 0.000 1.049 10 G HN 0.776 nan 8.290 nan 0.000 0.539 11 G N 0.460 109.270 108.800 0.017 0.000 3.774 11 G HA2 0.653 4.613 3.960 0.000 0.000 0.287 11 G HA3 0.653 4.613 3.960 0.000 0.000 0.287 11 G C 0.948 175.840 174.900 -0.012 0.000 1.030 11 G CA 0.987 46.079 45.100 -0.013 0.000 0.824 11 G HN 1.282 nan 8.290 nan 0.000 0.518 12 G N 0.253 109.057 108.800 0.006 0.000 2.514 12 G HA2 0.294 4.254 3.960 0.000 0.000 0.245 12 G HA3 0.294 4.254 3.960 0.000 0.000 0.245 12 G C 1.272 176.179 174.900 0.013 0.000 1.488 12 G CA 0.790 45.892 45.100 0.003 0.000 1.063 12 G HN 0.065 nan 8.290 nan 0.000 0.557 13 T N -0.354 114.207 114.554 0.011 0.000 2.684 13 T HA -0.161 4.189 4.350 0.000 0.000 0.267 13 T C 2.496 177.221 174.700 0.041 0.000 1.036 13 T CA 1.627 63.737 62.100 0.017 0.000 1.148 13 T CB -0.338 68.534 68.868 0.007 0.000 0.863 13 T HN 0.106 nan 8.240 nan 0.000 0.436 14 V N 1.252 121.195 119.914 0.048 0.000 2.283 14 V HA -0.029 4.091 4.120 0.000 0.000 0.243 14 V C 2.926 179.095 176.094 0.125 0.000 1.039 14 V CA 1.897 64.243 62.300 0.077 0.000 1.016 14 V CB -1.454 30.402 31.823 0.054 0.000 0.650 14 V HN 0.594 nan 8.190 nan 0.000 0.449 15 G N -0.840 108.022 108.800 0.103 0.000 2.476 15 G HA2 -0.348 3.612 3.960 0.000 0.000 0.218 15 G HA3 -0.348 3.612 3.960 0.000 0.000 0.218 15 G C 1.959 176.968 174.900 0.182 0.000 1.164 15 G CA 1.482 46.672 45.100 0.150 0.000 0.768 15 G HN 0.486 nan 8.290 nan 0.000 0.560 16 S N 0.667 116.425 115.700 0.096 0.000 2.368 16 S HA 0.058 4.528 4.470 0.000 0.000 0.225 16 S C 2.744 177.414 174.600 0.117 0.000 1.030 16 S CA 1.600 59.846 58.200 0.076 0.000 0.999 16 S CB -0.490 62.721 63.200 0.019 0.000 0.844 16 S HN 0.590 nan 8.310 nan 0.000 0.459 17 A N 0.600 123.485 122.820 0.109 0.000 1.902 17 A HA -0.022 4.298 4.320 0.000 0.000 0.217 17 A C 1.981 179.636 177.584 0.117 0.000 1.181 17 A CA 1.683 53.774 52.037 0.090 0.000 0.623 17 A CB -1.074 17.980 19.000 0.089 0.000 0.818 17 A HN 0.676 nan 8.150 nan 0.000 0.443 18 F N -0.840 119.147 119.950 0.063 0.000 2.084 18 F HA -0.171 4.356 4.527 0.000 0.000 0.296 18 F C 2.139 177.995 175.800 0.093 0.000 1.111 18 F CA 1.813 59.870 58.000 0.094 0.000 1.224 18 F CB -0.763 38.329 39.000 0.153 0.000 0.991 18 F HN 0.377 nan 8.300 nan 0.000 0.471 19 Y N 1.687 121.952 120.300 -0.058 0.000 2.069 19 Y HA -0.340 4.210 4.550 0.000 0.000 0.278 19 Y C 2.361 178.062 175.900 -0.332 0.000 1.175 19 Y CA 2.503 60.397 58.100 -0.344 0.000 1.134 19 Y CB -0.964 37.253 38.460 -0.404 0.000 0.965 19 Y HN 0.129 nan 8.280 nan 0.000 0.498 20 N N 0.115 118.677 118.700 -0.229 0.000 2.270 20 N HA -0.144 4.596 4.740 0.000 0.000 0.181 20 N C 1.818 177.129 175.510 -0.331 0.000 1.016 20 N CA 1.248 54.130 53.050 -0.281 0.000 0.870 20 N CB -0.345 38.093 38.487 -0.081 0.000 0.979 20 N HN 0.382 nan 8.380 nan 0.000 0.431 21 L N 1.433 122.448 121.223 -0.346 0.000 2.027 21 L HA -0.066 4.275 4.340 0.000 0.000 0.206 21 L C 2.151 178.612 176.870 -0.682 0.000 1.074 21 L CA 1.256 55.820 54.840 -0.461 0.000 0.745 21 L CB -0.721 41.080 42.059 -0.429 0.000 0.898 21 L HN -0.154 nan 8.230 nan 0.000 0.433 22 V N -0.223 119.266 119.914 -0.708 0.000 2.287 22 V HA -0.331 3.789 4.120 0.000 0.000 0.248 22 V C 2.588 178.507 176.094 -0.292 0.000 1.053 22 V CA 2.222 64.218 62.300 -0.507 0.000 1.027 22 V CB -0.593 31.049 31.823 -0.303 0.000 0.646 22 V HN 0.444 nan 8.190 nan 0.000 0.447 23 L N -0.371 120.660 121.223 -0.320 0.000 2.109 23 L HA -0.143 4.197 4.340 0.000 0.000 0.207 23 L C 2.609 179.365 176.870 -0.190 0.000 1.086 23 L CA 1.655 56.356 54.840 -0.233 0.000 0.760 23 L CB -0.540 41.319 42.059 -0.334 0.000 0.910 23 L HN 0.436 nan 8.230 nan 0.000 0.437 24 E N 0.577 120.637 120.200 -0.234 0.000 2.106 24 E HA -0.173 4.177 4.350 0.000 0.000 0.192 24 E C 1.307 177.819 176.600 -0.147 0.000 0.984 24 E CA 0.739 57.035 56.400 -0.173 0.000 0.806 24 E CB 0.299 29.890 29.700 -0.181 0.000 0.750 24 E HN 0.319 nan 8.360 nan 0.000 0.458 25 R N -0.021 120.355 120.500 -0.207 0.000 2.568 25 R HA 0.225 4.565 4.340 0.000 0.000 0.288 25 R C 1.296 177.608 176.300 0.019 0.000 1.077 25 R CA 0.462 56.495 56.100 -0.112 0.000 1.102 25 R CB 0.479 30.634 30.300 -0.242 0.000 1.278 25 R HN 0.122 nan 8.270 nan 0.000 0.560 26 A N 1.133 123.949 122.820 -0.008 0.000 1.978 26 A HA -0.219 4.101 4.320 0.000 0.000 0.220 26 A C 2.051 179.676 177.584 0.069 0.000 1.170 26 A CA 1.395 53.454 52.037 0.038 0.000 0.636 26 A CB -0.188 18.815 19.000 0.004 0.000 0.810 26 A HN 0.375 nan 8.150 nan 0.000 0.448 27 E N -0.900 119.330 120.200 0.050 0.000 2.153 27 E HA -0.228 4.122 4.350 0.000 0.000 0.194 27 E C 1.938 178.587 176.600 0.082 0.000 0.988 27 E CA 1.202 57.632 56.400 0.050 0.000 0.811 27 E CB -0.023 29.694 29.700 0.028 0.000 0.746 27 E HN 0.631 nan 8.360 nan 0.000 0.466 28 E N -0.079 120.202 120.200 0.135 0.000 2.106 28 E HA -0.148 4.202 4.350 0.000 0.000 0.192 28 E C 1.667 178.437 176.600 0.282 0.000 0.984 28 E CA 0.711 57.232 56.400 0.201 0.000 0.806 28 E CB 0.001 29.879 29.700 0.298 0.000 0.750 28 E HN 0.146 nan 8.360 nan 0.000 0.458 29 L N 0.321 121.709 121.223 0.275 0.000 2.156 29 L HA -0.054 4.286 4.340 0.000 0.000 0.208 29 L C 2.334 179.348 176.870 0.240 0.000 1.095 29 L CA 1.663 56.683 54.840 0.301 0.000 0.770 29 L CB -0.959 41.217 42.059 0.195 0.000 0.914 29 L HN 0.207 nan 8.230 nan 0.000 0.439 30 S N -0.613 115.168 115.700 0.135 0.000 2.442 30 S HA -0.133 4.337 4.470 0.000 0.000 0.236 30 S C 2.100 176.721 174.600 0.035 0.000 1.007 30 S CA 0.785 59.031 58.200 0.076 0.000 0.965 30 S CB -0.479 62.747 63.200 0.043 0.000 0.773 30 S HN 0.300 nan 8.310 nan 0.000 0.504 31 A N 0.365 123.184 122.820 -0.002 0.000 2.067 31 A HA 0.236 4.556 4.320 0.000 0.000 0.219 31 A C 1.480 178.867 177.584 -0.328 0.000 1.158 31 A CA 0.772 52.698 52.037 -0.184 0.000 0.661 31 A CB -0.773 18.058 19.000 -0.281 0.000 0.801 31 A HN 0.626 nan 8.150 nan 0.000 0.452 32 F N -0.964 118.983 119.950 -0.005 0.000 2.695 32 F HA 0.365 4.892 4.527 0.000 0.000 0.303 32 F C 1.686 177.477 175.800 -0.014 0.000 1.091 32 F CA 0.539 58.528 58.000 -0.018 0.000 1.300 32 F CB 0.296 39.280 39.000 -0.028 0.000 1.071 32 F HN 0.311 nan 8.300 nan 0.000 0.578 33 G N 1.355 110.221 108.800 0.109 0.000 2.160 33 G HA2 -0.158 3.802 3.960 0.000 0.000 0.244 33 G HA3 -0.158 3.802 3.960 0.000 0.000 0.244 33 G C -0.196 174.751 174.900 0.079 0.000 1.022 33 G CA 0.199 45.341 45.100 0.070 0.000 0.741 33 G HN 0.561 nan 8.290 nan 0.000 0.508 34 V N -3.587 116.388 119.914 0.102 0.000 2.962 34 V HA 0.922 5.042 4.120 0.000 0.000 0.313 34 V C -0.083 176.050 176.094 0.066 0.000 1.099 34 V CA -1.300 61.046 62.300 0.076 0.000 0.971 34 V CB 2.507 34.377 31.823 0.078 0.000 1.028 34 V HN 0.659 nan 8.190 nan 0.000 0.430 35 V N 3.936 123.874 119.914 0.041 0.000 2.487 35 V HA 0.525 4.645 4.120 0.000 0.000 0.298 35 V C -2.331 173.769 176.094 0.010 0.000 1.028 35 V CA -1.699 60.620 62.300 0.032 0.000 0.860 35 V CB 2.070 33.909 31.823 0.027 0.000 0.991 35 V HN 0.949 nan 8.190 nan 0.000 0.427 36 P HA 0.273 nan 4.420 nan 0.000 0.271 36 P C -0.965 176.306 177.300 -0.048 0.000 1.216 36 P CA -0.315 62.746 63.100 -0.065 0.000 0.771 36 P CB 0.763 32.431 31.700 -0.053 0.000 0.864 37 R N 3.197 123.625 120.500 -0.119 0.000 2.502 37 R HA 0.389 4.729 4.340 0.000 0.000 0.298 37 R C -0.702 175.544 176.300 -0.091 0.000 1.018 37 R CA -0.729 55.361 56.100 -0.016 0.000 0.899 37 R CB 0.547 30.850 30.300 0.005 0.000 1.181 37 R HN 0.390 nan 8.270 nan 0.000 0.444 38 F N 3.080 123.086 119.950 0.092 0.000 2.424 38 F HA 0.238 4.765 4.527 0.000 0.000 0.356 38 F C 1.884 177.724 175.800 0.066 0.000 1.110 38 F CA -0.346 57.727 58.000 0.123 0.000 1.161 38 F CB 0.894 40.024 39.000 0.216 0.000 1.115 38 F HN 0.365 nan 8.300 nan 0.000 0.507 39 L N 2.744 124.071 121.223 0.173 0.000 2.217 39 L HA 0.191 4.531 4.340 0.000 0.000 0.211 39 L C 1.155 178.000 176.870 -0.041 0.000 1.107 39 L CA 0.643 55.541 54.840 0.097 0.000 0.783 39 L CB -0.550 41.599 42.059 0.149 0.000 0.919 39 L HN 0.794 nan 8.230 nan 0.000 0.442 40 G N -1.351 107.432 108.800 -0.029 0.000 2.355 40 G HA2 0.398 4.358 3.960 0.000 0.000 0.296 40 G HA3 0.398 4.358 3.960 0.000 0.000 0.296 40 G C -1.950 172.895 174.900 -0.091 0.000 1.507 40 G CA -0.566 44.292 45.100 -0.403 0.000 0.823 40 G HN -0.332 nan 8.290 nan 0.000 0.569 41 V N 1.128 120.952 119.914 -0.149 0.000 2.419 41 V HA 0.406 4.526 4.120 0.000 0.000 0.287 41 V C -0.185 175.961 176.094 0.087 0.000 1.017 41 V CA -0.650 61.680 62.300 0.049 0.000 0.844 41 V CB 1.293 33.057 31.823 -0.099 0.000 1.011 41 V HN 0.818 nan 8.190 nan 0.000 0.429 42 L N 7.672 129.076 121.223 0.302 0.000 2.500 42 L HA 0.393 4.733 4.340 0.000 0.000 0.272 42 L C 0.067 176.998 176.870 0.102 0.000 1.149 42 L CA 0.580 55.577 54.840 0.260 0.000 0.897 42 L CB 0.986 43.200 42.059 0.258 0.000 1.178 42 L HN 0.594 nan 8.230 nan 0.000 0.473 43 V N 4.036 123.983 119.914 0.054 0.000 2.459 43 V HA 0.644 4.764 4.120 0.000 0.000 0.295 43 V C 0.581 176.684 176.094 0.015 0.000 1.029 43 V CA -0.455 61.854 62.300 0.015 0.000 0.874 43 V CB 1.390 33.203 31.823 -0.018 0.000 0.985 43 V HN 0.895 nan 8.190 nan 0.000 0.438 44 R N 1.063 121.568 120.500 0.009 0.000 2.446 44 R HA 0.331 4.671 4.340 0.000 0.000 0.254 44 R C 0.033 176.332 176.300 -0.001 0.000 0.918 44 R CA -0.290 55.813 56.100 0.006 0.000 1.069 44 R CB 0.229 30.533 30.300 0.007 0.000 1.194 44 R HN 0.701 nan 8.270 nan 0.000 0.534 45 D N 2.028 122.424 120.400 -0.006 0.000 2.372 45 D HA 0.129 4.769 4.640 0.000 0.000 0.243 45 D C -1.430 174.863 176.300 -0.011 0.000 1.121 45 D CA -1.649 52.345 54.000 -0.010 0.000 0.898 45 D CB 1.593 42.383 40.800 -0.015 0.000 1.202 45 D HN -0.139 nan 8.370 nan 0.000 0.428 46 P HA 0.018 nan 4.420 nan 0.000 0.222 46 P C -0.416 176.875 177.300 -0.015 0.000 1.147 46 P CA 1.040 64.134 63.100 -0.011 0.000 0.790 46 P CB 0.199 31.893 31.700 -0.009 0.000 0.780 47 R N -0.551 119.938 120.500 -0.019 0.000 2.637 47 R HA 0.689 5.029 4.340 0.000 0.000 0.291 47 R C 0.070 176.352 176.300 -0.031 0.000 0.963 47 R CA -0.489 55.597 56.100 -0.023 0.000 0.901 47 R CB -0.464 29.822 30.300 -0.023 0.000 1.160 47 R HN 0.065 nan 8.270 nan 0.000 0.457 48 K N 3.585 123.964 120.400 -0.036 0.000 2.448 48 K HA 0.393 4.713 4.320 0.000 0.000 0.278 48 K C -1.778 174.789 176.600 -0.056 0.000 1.009 48 K CA -1.005 55.253 56.287 -0.049 0.000 0.995 48 K CB -0.307 nan 32.500 nan 0.000 0.917 48 K HN 0.780 nan 8.250 nan 0.000 0.481 49 P HA 0.141 nan 4.420 nan 0.000 0.267 49 P C -0.224 177.030 177.300 -0.077 0.000 1.205 49 P CA -0.232 62.824 63.100 -0.073 0.000 0.765 49 P CB 0.881 32.525 31.700 -0.094 0.000 0.828 50 R N 2.580 123.046 120.500 -0.056 0.000 2.189 50 R HA -0.013 4.327 4.340 0.000 0.000 0.223 50 R C 1.562 177.834 176.300 -0.048 0.000 1.092 50 R CA 1.326 57.398 56.100 -0.048 0.000 0.989 50 R CB -0.324 29.956 30.300 -0.033 0.000 0.876 50 R HN 0.502 nan 8.270 nan 0.000 0.457 51 A N 0.734 123.523 122.820 -0.052 0.000 2.423 51 A HA 0.276 4.596 4.320 0.000 0.000 0.246 51 A C 0.417 177.958 177.584 -0.071 0.000 1.278 51 A CA -0.125 51.897 52.037 -0.025 0.000 0.903 51 A CB 0.264 19.271 19.000 0.012 0.000 0.997 51 A HN 0.059 nan 8.150 nan 0.000 0.510 52 I N 0.567 121.020 120.570 -0.196 0.000 2.499 52 I HA 0.305 4.475 4.170 0.000 0.000 0.288 52 I C -2.685 173.259 176.117 -0.289 0.000 1.048 52 I CA -2.411 58.623 61.300 -0.443 0.000 1.062 52 I CB 2.270 39.902 38.000 -0.613 0.000 1.238 52 I HN -0.067 nan 8.210 nan 0.000 0.426 53 P HA -0.070 nan 4.420 nan 0.000 0.263 53 P C 0.318 177.533 177.300 -0.140 0.000 1.175 53 P CA 0.099 63.121 63.100 -0.129 0.000 0.761 53 P CB 0.622 32.281 31.700 -0.067 0.000 0.794 54 Q N 4.078 123.821 119.800 -0.095 0.000 2.135 54 Q HA -0.245 4.095 4.340 0.000 0.000 0.204 54 Q C 1.696 177.645 176.000 -0.086 0.000 0.981 54 Q CA 1.976 57.728 55.803 -0.086 0.000 0.856 54 Q CB -0.520 28.183 28.738 -0.060 0.000 0.902 54 Q HN 0.561 nan 8.270 nan 0.000 0.425 55 E N -0.262 119.895 120.200 -0.072 0.000 2.265 55 E HA -0.180 4.170 4.350 0.000 0.000 0.196 55 E C 1.493 178.040 176.600 -0.088 0.000 0.996 55 E CA 1.108 57.470 56.400 -0.064 0.000 0.832 55 E CB -0.300 29.377 29.700 -0.038 0.000 0.756 55 E HN 0.493 nan 8.360 nan 0.000 0.491 56 L N 0.704 121.858 121.223 -0.116 0.000 2.585 56 L HA 0.229 4.569 4.340 0.000 0.000 0.226 56 L C 1.075 177.827 176.870 -0.197 0.000 1.113 56 L CA -0.208 54.544 54.840 -0.147 0.000 0.876 56 L CB 0.018 41.988 42.059 -0.149 0.000 1.072 56 L HN -0.009 nan 8.230 nan 0.000 0.468 57 L N 1.648 122.769 121.223 -0.170 0.000 2.416 57 L HA 0.204 4.545 4.340 0.000 0.000 0.272 57 L C 0.053 176.837 176.870 -0.144 0.000 1.161 57 L CA -0.002 54.748 54.840 -0.150 0.000 0.845 57 L CB 0.238 42.227 42.059 -0.116 0.000 1.119 57 L HN 0.117 nan 8.230 nan 0.000 0.464 58 R N 2.608 123.036 120.500 -0.120 0.000 2.451 58 R HA 0.357 4.697 4.340 0.000 0.000 0.307 58 R C 0.327 176.642 176.300 0.025 0.000 0.965 58 R CA -0.457 55.598 56.100 -0.075 0.000 0.865 58 R CB 1.731 31.941 30.300 -0.151 0.000 1.174 58 R HN 0.747 nan 8.270 nan 0.000 0.455 59 A N 2.479 125.310 122.820 0.019 0.000 2.119 59 A HA -0.061 4.259 4.320 0.000 0.000 0.216 59 A C 0.517 178.132 177.584 0.052 0.000 1.152 59 A CA 0.943 52.996 52.037 0.027 0.000 0.708 59 A CB 0.028 19.033 19.000 0.009 0.000 0.805 59 A HN 0.745 nan 8.150 nan 0.000 0.460 60 E N -1.049 119.202 120.200 0.085 0.000 2.429 60 E HA 0.524 4.874 4.350 0.000 0.000 0.276 60 E C -3.135 173.558 176.600 0.154 0.000 0.953 60 E CA -2.744 53.709 56.400 0.088 0.000 0.787 60 E CB 0.455 30.189 29.700 0.056 0.000 1.307 60 E HN -0.122 nan 8.360 nan 0.000 0.458 61 P HA -0.032 nan 4.420 nan 0.000 0.263 61 P C -1.148 176.225 177.300 0.121 0.000 1.168 61 P CA 0.605 63.722 63.100 0.027 0.000 0.759 61 P CB -0.056 31.619 31.700 -0.042 0.000 0.782 62 F N -0.693 119.254 119.950 -0.005 0.000 2.603 62 F HA 0.532 5.059 4.527 0.000 0.000 0.317 62 F C -0.083 175.715 175.800 -0.004 0.000 1.066 62 F CA -1.884 56.114 58.000 -0.002 0.000 0.941 62 F CB 0.720 39.722 39.000 0.004 0.000 1.291 62 F HN 0.055 nan 8.300 nan 0.000 0.472 63 D N 1.739 122.230 120.400 0.151 0.000 2.472 63 D HA 0.068 4.708 4.640 0.000 0.000 0.248 63 D C 0.390 176.715 176.300 0.040 0.000 1.174 63 D CA 0.495 54.526 54.000 0.052 0.000 0.883 63 D CB 0.733 41.581 40.800 0.079 0.000 1.149 63 D HN 0.683 nan 8.370 nan 0.000 0.488 64 L N 3.633 124.807 121.223 -0.082 0.000 2.616 64 L HA 0.096 4.436 4.340 0.000 0.000 0.229 64 L C 2.002 178.850 176.870 -0.036 0.000 1.110 64 L CA -0.198 54.590 54.840 -0.085 0.000 0.884 64 L CB -0.051 41.894 42.059 -0.191 0.000 1.115 64 L HN 0.458 nan 8.230 nan 0.000 0.481 65 L N 0.147 121.355 121.223 -0.025 0.000 2.349 65 L HA -0.138 4.202 4.340 0.000 0.000 0.220 65 L C 1.788 178.658 176.870 -0.001 0.000 1.130 65 L CA 0.866 55.696 54.840 -0.018 0.000 0.791 65 L CB -0.270 41.782 42.059 -0.013 0.000 0.918 65 L HN 0.316 nan 8.230 nan 0.000 0.444 66 E N 0.135 120.345 120.200 0.017 0.000 2.476 66 E HA 0.233 4.583 4.350 0.000 0.000 0.196 66 E C 0.650 177.259 176.600 0.015 0.000 1.029 66 E CA 0.018 56.430 56.400 0.020 0.000 0.896 66 E CB 0.379 30.098 29.700 0.033 0.000 1.012 66 E HN 0.296 nan 8.360 nan 0.000 0.475 67 A N 1.041 123.864 122.820 0.006 0.000 2.322 67 A HA 0.179 4.499 4.320 0.000 0.000 0.269 67 A C 0.683 178.241 177.584 -0.044 0.000 1.094 67 A CA -0.333 51.696 52.037 -0.014 0.000 0.807 67 A CB 0.591 19.582 19.000 -0.014 0.000 1.047 67 A HN -0.131 nan 8.150 nan 0.000 0.487 68 D N 0.124 120.484 120.400 -0.068 0.000 2.240 68 D HA 0.177 4.817 4.640 0.000 0.000 0.206 68 D C -0.007 176.154 176.300 -0.233 0.000 0.963 68 D CA 1.165 55.114 54.000 -0.085 0.000 0.863 68 D CB 0.201 40.980 40.800 -0.036 0.000 0.973 68 D HN 0.423 nan 8.370 nan 0.000 0.501 69 L N 0.383 121.458 121.223 -0.247 0.000 2.445 69 L HA 0.386 4.726 4.340 0.000 0.000 0.262 69 L C -1.045 175.714 176.870 -0.185 0.000 0.974 69 L CA -0.815 53.828 54.840 -0.329 0.000 0.822 69 L CB 3.378 45.173 42.059 -0.441 0.000 1.339 69 L HN -0.385 nan 8.230 nan 0.000 0.409 70 V N 2.957 122.767 119.914 -0.173 0.000 2.448 70 V HA 0.472 4.592 4.120 0.000 0.000 0.295 70 V C -0.370 175.654 176.094 -0.117 0.000 1.025 70 V CA -0.617 61.618 62.300 -0.110 0.000 0.859 70 V CB 2.132 33.883 31.823 -0.120 0.000 0.988 70 V HN 0.403 nan 8.190 nan 0.000 0.431 71 V N 4.461 124.327 119.914 -0.080 0.000 2.384 71 V HA 0.524 4.644 4.120 0.000 0.000 0.287 71 V C -0.123 175.909 176.094 -0.104 0.000 1.020 71 V CA -0.507 61.698 62.300 -0.159 0.000 0.850 71 V CB 1.727 33.373 31.823 -0.295 0.000 0.987 71 V HN 0.870 nan 8.190 nan 0.000 0.436 72 E N 3.845 123.977 120.200 -0.112 0.000 2.210 72 E HA 0.745 5.095 4.350 0.000 0.000 0.266 72 E C -0.848 175.710 176.600 -0.071 0.000 0.883 72 E CA -0.686 55.671 56.400 -0.073 0.000 0.761 72 E CB 2.113 31.771 29.700 -0.069 0.000 1.156 72 E HN 0.748 nan 8.360 nan 0.000 0.412 73 A N 5.614 128.408 122.820 -0.043 0.000 3.474 73 A HA 0.204 4.524 4.320 0.000 0.000 0.251 73 A C 0.114 177.691 177.584 -0.012 0.000 1.062 73 A CA -0.370 51.649 52.037 -0.030 0.000 0.945 73 A CB -0.552 18.433 19.000 -0.025 0.000 1.296 73 A HN 0.638 nan 8.150 nan 0.000 0.592 74 M N -0.780 118.809 119.600 -0.018 0.000 2.347 74 M HA 0.527 5.007 4.480 0.000 0.000 0.302 74 M C 0.789 177.080 176.300 -0.014 0.000 1.051 74 M CA 0.287 55.580 55.300 -0.011 0.000 0.988 74 M CB 0.179 32.773 32.600 -0.010 0.000 1.475 74 M HN 1.238 nan 8.290 nan 0.000 0.530 75 G N 1.288 110.076 108.800 -0.021 0.000 2.939 75 G HA2 0.190 4.150 3.960 0.000 0.000 0.278 75 G HA3 0.190 4.150 3.960 0.000 0.000 0.278 75 G C 0.155 175.039 174.900 -0.027 0.000 1.487 75 G CA 0.072 45.159 45.100 -0.021 0.000 0.935 75 G HN 1.634 nan 8.290 nan 0.000 0.553 76 G N -2.495 106.288 108.800 -0.028 0.000 2.755 76 G HA2 0.210 4.170 3.960 0.000 0.000 0.686 76 G HA3 0.210 4.170 3.960 0.000 0.000 0.686 76 G C 0.732 175.601 174.900 -0.051 0.000 1.427 76 G CA 0.250 45.333 45.100 -0.028 0.000 0.873 76 G HN 1.874 nan 8.290 nan 0.000 0.580 77 V N 0.634 120.519 119.914 -0.047 0.000 2.635 77 V HA 0.133 4.253 4.120 0.000 0.000 0.233 77 V C 2.469 178.539 176.094 -0.039 0.000 1.097 77 V CA 2.108 64.373 62.300 -0.059 0.000 1.134 77 V CB -0.489 31.297 31.823 -0.062 0.000 0.841 77 V HN 0.898 nan 8.190 nan 0.000 0.496 78 E N 1.141 121.326 120.200 -0.024 0.000 2.070 78 E HA -0.219 4.131 4.350 0.000 0.000 0.197 78 E C 2.083 178.668 176.600 -0.025 0.000 1.004 78 E CA 1.990 58.379 56.400 -0.018 0.000 0.805 78 E CB -0.534 29.161 29.700 -0.008 0.000 0.744 78 E HN 0.498 nan 8.360 nan 0.000 0.451 79 A N 0.517 123.321 122.820 -0.025 0.000 1.858 79 A HA -0.081 4.239 4.320 0.000 0.000 0.216 79 A C -0.149 177.408 177.584 -0.044 0.000 1.190 79 A CA 1.746 53.765 52.037 -0.030 0.000 0.617 79 A CB -1.693 17.292 19.000 -0.024 0.000 0.827 79 A HN 0.292 nan 8.150 nan 0.000 0.443 80 P HA -0.148 nan 4.420 nan 0.000 0.215 80 P C 1.703 178.961 177.300 -0.068 0.000 1.153 80 P CA 0.986 64.050 63.100 -0.060 0.000 0.853 80 P CB -0.094 31.572 31.700 -0.057 0.000 0.788 81 L N 0.086 121.275 121.223 -0.056 0.000 1.989 81 L HA -0.178 4.162 4.340 0.000 0.000 0.211 81 L C 2.203 179.036 176.870 -0.062 0.000 1.071 81 L CA 1.973 56.781 54.840 -0.053 0.000 0.749 81 L CB -0.906 41.135 42.059 -0.030 0.000 0.890 81 L HN -0.173 nan 8.230 nan 0.000 0.431 82 R N -0.884 119.584 120.500 -0.053 0.000 2.148 82 R HA -0.074 4.266 4.340 0.000 0.000 0.227 82 R C 2.197 178.449 176.300 -0.080 0.000 1.103 82 R CA 1.343 57.410 56.100 -0.056 0.000 0.983 82 R CB -0.384 29.891 30.300 -0.041 0.000 0.874 82 R HN 0.428 nan 8.270 nan 0.000 0.451 83 L N 0.262 121.429 121.223 -0.094 0.000 2.162 83 L HA -0.062 4.278 4.340 0.000 0.000 0.205 83 L C 2.400 179.179 176.870 -0.152 0.000 1.086 83 L CA 0.648 55.411 54.840 -0.128 0.000 0.778 83 L CB -0.274 41.704 42.059 -0.134 0.000 0.928 83 L HN 0.095 nan 8.230 nan 0.000 0.446 84 V N -3.373 116.453 119.914 -0.146 0.000 2.878 84 V HA -0.061 4.059 4.120 0.000 0.000 0.250 84 V C 2.175 178.129 176.094 -0.234 0.000 1.075 84 V CA 0.601 62.794 62.300 -0.178 0.000 1.096 84 V CB -0.338 31.389 31.823 -0.160 0.000 0.724 84 V HN 0.271 nan 8.190 nan 0.000 0.467 85 L N 0.190 121.286 121.223 -0.211 0.000 2.013 85 L HA -0.083 4.257 4.340 0.000 0.000 0.212 85 L C 0.316 177.036 176.870 -0.251 0.000 1.073 85 L CA 2.273 56.954 54.840 -0.264 0.000 0.753 85 L CB -1.907 40.078 42.059 -0.123 0.000 0.890 85 L HN 0.344 nan 8.230 nan 0.000 0.432 86 P HA -0.184 nan 4.420 nan 0.000 0.218 86 P C 1.350 178.564 177.300 -0.143 0.000 1.148 86 P CA 1.793 64.819 63.100 -0.123 0.000 0.822 86 P CB 0.011 31.651 31.700 -0.100 0.000 0.784 87 A N -0.832 121.880 122.820 -0.179 0.000 1.872 87 A HA -0.109 4.211 4.320 0.000 0.000 0.214 87 A C 2.171 179.633 177.584 -0.203 0.000 1.187 87 A CA 1.171 53.108 52.037 -0.166 0.000 0.614 87 A CB -1.550 17.350 19.000 -0.167 0.000 0.826 87 A HN 0.087 nan 8.150 nan 0.000 0.442 88 L N -0.357 120.653 121.223 -0.355 0.000 2.083 88 L HA -0.208 4.132 4.340 0.000 0.000 0.209 88 L C 2.461 179.108 176.870 -0.373 0.000 1.083 88 L CA 1.539 56.057 54.840 -0.535 0.000 0.752 88 L CB -0.573 40.759 42.059 -1.212 0.000 0.899 88 L HN 0.483 nan 8.230 nan 0.000 0.433 89 E N -0.016 120.015 120.200 -0.281 0.000 2.268 89 E HA -0.139 4.211 4.350 0.000 0.000 0.195 89 E C 1.901 178.523 176.600 0.036 0.000 0.995 89 E CA 0.884 57.305 56.400 0.034 0.000 0.836 89 E CB -0.037 29.687 29.700 0.040 0.000 0.763 89 E HN 0.485 nan 8.360 nan 0.000 0.491 90 A N 0.243 123.050 122.820 -0.023 0.000 2.275 90 A HA 0.324 4.644 4.320 0.000 0.000 0.212 90 A C 1.582 179.173 177.584 0.011 0.000 1.201 90 A CA 0.632 52.666 52.037 -0.005 0.000 0.843 90 A CB -0.036 18.949 19.000 -0.025 0.000 0.873 90 A HN 0.283 nan 8.150 nan 0.000 0.492 91 G N -0.587 108.226 108.800 0.022 0.000 2.132 91 G HA2 -0.205 3.755 3.960 0.000 0.000 0.234 91 G HA3 -0.205 3.755 3.960 0.000 0.000 0.234 91 G C 0.012 174.930 174.900 0.030 0.000 0.989 91 G CA 0.203 45.333 45.100 0.049 0.000 0.676 91 G HN 0.479 nan 8.290 nan 0.000 0.522 92 I N 1.561 122.118 120.570 -0.022 0.000 2.325 92 I HA 0.280 4.450 4.170 0.000 0.000 0.291 92 I C -1.857 174.221 176.117 -0.066 0.000 1.019 92 I CA -2.322 58.949 61.300 -0.050 0.000 1.302 92 I CB 1.346 39.297 38.000 -0.081 0.000 1.401 92 I HN -0.134 nan 8.210 nan 0.000 0.485 93 P HA 0.094 nan 4.420 nan 0.000 0.269 93 P C -0.916 176.329 177.300 -0.091 0.000 1.215 93 P CA -0.288 62.798 63.100 -0.024 0.000 0.780 93 P CB 0.652 32.312 31.700 -0.066 0.000 0.898 94 L N 3.805 125.035 121.223 0.012 0.000 2.333 94 L HA 0.529 4.869 4.340 0.000 0.000 0.280 94 L C -1.184 175.726 176.870 0.067 0.000 1.004 94 L CA -0.261 54.566 54.840 -0.021 0.000 0.820 94 L CB 0.773 42.811 42.059 -0.034 0.000 1.247 94 L HN 0.227 nan 8.230 nan 0.000 0.416 95 I N 4.582 125.132 120.570 -0.033 0.000 2.362 95 I HA 0.518 4.688 4.170 0.000 0.000 0.289 95 I C -0.098 175.998 176.117 -0.035 0.000 0.994 95 I CA -0.276 61.025 61.300 0.003 0.000 1.158 95 I CB 1.848 39.763 38.000 -0.143 0.000 1.315 95 I HN 0.669 nan 8.210 nan 0.000 0.451 96 T N 3.479 118.055 114.554 0.037 0.000 2.864 96 T HA 0.687 5.037 4.350 0.000 0.000 0.299 96 T C -0.119 174.594 174.700 0.021 0.000 1.166 96 T CA -0.129 61.968 62.100 -0.006 0.000 1.007 96 T CB 1.918 70.780 68.868 -0.010 0.000 1.219 96 T HN 0.605 nan 8.240 nan 0.000 0.506 97 A N 2.347 125.160 122.820 -0.011 0.000 2.469 97 A HA 0.366 4.686 4.320 0.000 0.000 0.245 97 A C 0.716 178.293 177.584 -0.011 0.000 1.221 97 A CA -0.217 51.821 52.037 0.002 0.000 0.946 97 A CB -0.105 18.892 19.000 -0.005 0.000 1.049 97 A HN 0.626 nan 8.150 nan 0.000 0.529 98 N N 1.911 120.592 118.700 -0.032 0.000 2.549 98 N HA 0.015 4.755 4.740 0.000 0.000 0.267 98 N C 1.141 176.589 175.510 -0.103 0.000 1.182 98 N CA 0.035 53.047 53.050 -0.063 0.000 1.019 98 N CB 0.621 39.065 38.487 -0.071 0.000 1.380 98 N HN 0.427 nan 8.380 nan 0.000 0.505 99 K N 2.085 122.426 120.400 -0.099 0.000 2.148 99 K HA -0.087 4.233 4.320 0.000 0.000 0.204 99 K C 1.421 177.802 176.600 -0.366 0.000 1.050 99 K CA 0.921 57.119 56.287 -0.149 0.000 0.942 99 K CB -0.575 31.895 32.500 -0.051 0.000 0.724 99 K HN 0.305 nan 8.250 nan 0.000 0.446 100 A N 2.196 124.743 122.820 -0.455 0.000 1.902 100 A HA -0.093 4.227 4.320 0.000 0.000 0.217 100 A C 2.294 179.567 177.584 -0.518 0.000 1.181 100 A CA 1.408 52.939 52.037 -0.844 0.000 0.623 100 A CB -0.611 18.110 19.000 -0.465 0.000 0.818 100 A HN 0.292 nan 8.150 nan 0.000 0.443 101 L N -0.121 120.934 121.223 -0.280 0.000 2.017 101 L HA -0.121 4.219 4.340 0.000 0.000 0.208 101 L C 2.235 179.026 176.870 -0.132 0.000 1.073 101 L CA 1.877 56.617 54.840 -0.167 0.000 0.745 101 L CB -0.567 41.428 42.059 -0.108 0.000 0.894 101 L HN 0.384 nan 8.230 nan 0.000 0.432 102 L N -0.542 120.589 121.223 -0.153 0.000 2.093 102 L HA -0.122 4.218 4.340 0.000 0.000 0.208 102 L C 2.667 179.460 176.870 -0.129 0.000 1.085 102 L CA 1.049 55.835 54.840 -0.090 0.000 0.755 102 L CB -0.931 40.990 42.059 -0.229 0.000 0.904 102 L HN 0.405 nan 8.230 nan 0.000 0.435 103 A N -0.088 122.560 122.820 -0.287 0.000 1.897 103 A HA -0.151 4.169 4.320 0.000 0.000 0.215 103 A C 2.076 179.536 177.584 -0.206 0.000 1.181 103 A CA 1.365 53.215 52.037 -0.313 0.000 0.620 103 A CB -0.234 18.460 19.000 -0.510 0.000 0.821 103 A HN 0.452 nan 8.150 nan 0.000 0.443 104 E N -1.113 118.932 120.200 -0.258 0.000 2.472 104 E HA 0.296 4.646 4.350 0.000 0.000 0.196 104 E C 0.733 177.354 176.600 0.036 0.000 1.033 104 E CA 0.413 56.759 56.400 -0.090 0.000 0.886 104 E CB 0.279 29.885 29.700 -0.157 0.000 0.944 104 E HN 0.496 nan 8.360 nan 0.000 0.492 105 A N 0.433 123.289 122.820 0.059 0.000 2.676 105 A HA 0.084 4.404 4.320 0.000 0.000 0.297 105 A C 0.821 178.519 177.584 0.189 0.000 1.132 105 A CA -0.681 51.413 52.037 0.095 0.000 0.972 105 A CB -0.753 18.272 19.000 0.042 0.000 1.197 105 A HN 0.432 nan 8.150 nan 0.000 0.524 106 W N 0.551 121.842 121.300 -0.014 0.000 2.374 106 W HA -0.177 4.484 4.660 0.000 0.000 0.288 106 W C 1.537 178.062 176.519 0.010 0.000 1.218 106 W CA 1.695 59.039 57.345 -0.001 0.000 1.245 106 W CB 0.239 29.709 29.460 0.017 0.000 1.126 106 W HN 0.728 nan 8.180 nan 0.000 0.545 107 E N -0.099 120.153 120.200 0.086 0.000 2.118 107 E HA -0.197 4.153 4.350 0.000 0.000 0.195 107 E C 1.977 178.517 176.600 -0.100 0.000 0.992 107 E CA 1.759 58.136 56.400 -0.038 0.000 0.804 107 E CB -0.186 29.525 29.700 0.018 0.000 0.741 107 E HN 0.069 nan 8.360 nan 0.000 0.458 108 S N -0.057 115.623 115.700 -0.033 0.000 2.439 108 S HA 0.081 4.551 4.470 0.000 0.000 0.224 108 S C 1.791 176.423 174.600 0.053 0.000 1.029 108 S CA 0.291 58.496 58.200 0.008 0.000 0.946 108 S CB 0.166 63.400 63.200 0.056 0.000 0.797 108 S HN 0.245 nan 8.310 nan 0.000 0.504 109 L N 0.700 121.912 121.223 -0.018 0.000 2.463 109 L HA 0.260 4.600 4.340 0.000 0.000 0.219 109 L C 2.437 179.091 176.870 -0.359 0.000 1.088 109 L CA 0.182 55.042 54.840 0.033 0.000 0.849 109 L CB -0.285 41.828 42.059 0.090 0.000 1.012 109 L HN 0.168 nan 8.230 nan 0.000 0.468 110 R N 1.257 121.181 120.500 -0.959 0.000 2.096 110 R HA -0.184 4.156 4.340 0.000 0.000 0.240 110 R C -0.491 175.411 176.300 -0.663 0.000 1.139 110 R CA 1.940 57.209 56.100 -1.386 0.000 0.952 110 R CB -1.121 28.226 30.300 -1.588 0.000 0.854 110 R HN 0.177 nan 8.270 nan 0.000 0.436 111 P HA -0.171 nan 4.420 nan 0.000 0.217 111 P C 0.632 177.613 177.300 -0.532 0.000 1.151 111 P CA 1.613 64.373 63.100 -0.568 0.000 0.849 111 P CB -0.115 31.143 31.700 -0.737 0.000 0.787 112 F N -0.751 119.091 119.950 -0.180 0.000 2.234 112 F HA 0.011 4.538 4.527 0.000 0.000 0.296 112 F C 2.477 178.228 175.800 -0.082 0.000 1.089 112 F CA 0.809 58.746 58.000 -0.106 0.000 1.343 112 F CB -1.188 37.762 39.000 -0.085 0.000 1.040 112 F HN -0.137 nan 8.300 nan 0.000 0.498 113 A N 0.337 123.177 122.820 0.034 0.000 1.933 113 A HA -0.177 4.144 4.320 0.000 0.000 0.218 113 A C 2.017 179.627 177.584 0.044 0.000 1.175 113 A CA 1.550 53.635 52.037 0.081 0.000 0.628 113 A CB -0.681 18.415 19.000 0.159 0.000 0.814 113 A HN 0.416 nan 8.150 nan 0.000 0.444 114 E N -0.158 120.017 120.200 -0.041 0.000 2.409 114 E HA -0.120 4.230 4.350 0.000 0.000 0.198 114 E C 0.759 177.344 176.600 -0.025 0.000 1.024 114 E CA 0.687 57.069 56.400 -0.031 0.000 0.861 114 E CB -0.011 29.640 29.700 -0.081 0.000 0.788 114 E HN 0.542 nan 8.360 nan 0.000 0.521 115 E N -0.279 119.912 120.200 -0.015 0.000 2.463 115 E HA 0.067 4.417 4.350 0.000 0.000 0.193 115 E C 0.988 177.604 176.600 0.027 0.000 1.041 115 E CA 0.253 56.658 56.400 0.008 0.000 0.879 115 E CB 0.829 30.545 29.700 0.026 0.000 0.997 115 E HN 0.334 nan 8.360 nan 0.000 0.478 116 G N 1.614 110.421 108.800 0.011 0.000 2.160 116 G HA2 -0.289 3.671 3.960 0.000 0.000 0.251 116 G HA3 -0.289 3.671 3.960 0.000 0.000 0.251 116 G C 0.805 175.694 174.900 -0.018 0.000 1.008 116 G CA 0.492 45.568 45.100 -0.041 0.000 0.724 116 G HN 0.367 nan 8.290 nan 0.000 0.514 117 L N -0.615 120.653 121.223 0.075 0.000 2.567 117 L HA 0.408 4.748 4.340 0.000 0.000 0.225 117 L C 1.109 178.089 176.870 0.185 0.000 1.119 117 L CA 0.339 55.274 54.840 0.158 0.000 0.871 117 L CB 0.172 42.334 42.059 0.172 0.000 1.036 117 L HN 0.289 nan 8.230 nan 0.000 0.459 118 I N -0.671 119.972 120.570 0.122 0.000 2.389 118 I HA 0.210 4.380 4.170 0.000 0.000 0.288 118 I C -1.129 175.135 176.117 0.246 0.000 0.999 118 I CA -0.648 60.781 61.300 0.214 0.000 1.129 118 I CB 1.209 39.325 38.000 0.194 0.000 1.288 118 I HN -0.135 nan 8.210 nan 0.000 0.444 119 Y N 4.442 124.906 120.300 0.273 0.000 2.342 119 Y HA 0.321 4.871 4.550 0.000 0.000 0.338 119 Y C 0.432 176.551 175.900 0.366 0.000 0.965 119 Y CA -0.834 57.495 58.100 0.382 0.000 1.159 119 Y CB 0.661 39.231 38.460 0.183 0.000 1.157 119 Y HN 0.560 nan 8.280 nan 0.000 0.486 120 H N -0.768 118.446 119.070 0.240 0.000 2.924 120 H HA 0.335 4.891 4.556 0.000 0.000 0.229 120 H C 0.860 176.058 175.328 -0.216 0.000 1.345 120 H CA -0.324 55.713 56.048 -0.018 0.000 1.044 120 H CB 0.418 30.164 29.762 -0.026 0.000 2.221 120 H HN 0.479 nan 8.280 nan 0.000 0.574 121 E N 2.046 122.081 120.200 -0.275 0.000 2.110 121 E HA -0.116 4.234 4.350 0.000 0.000 0.193 121 E C 2.105 178.647 176.600 -0.097 0.000 0.988 121 E CA 1.639 57.877 56.400 -0.270 0.000 0.804 121 E CB -0.266 29.421 29.700 -0.022 0.000 0.745 121 E HN 0.652 nan 8.360 nan 0.000 0.458 122 A N 0.124 122.939 122.820 -0.008 0.000 2.216 122 A HA -0.091 4.229 4.320 0.000 0.000 0.214 122 A C 2.164 179.755 177.584 0.010 0.000 1.160 122 A CA 1.451 53.497 52.037 0.015 0.000 0.725 122 A CB -0.765 18.255 19.000 0.034 0.000 0.784 122 A HN 0.379 nan 8.150 nan 0.000 0.472 123 S N -1.377 114.332 115.700 0.014 0.000 2.522 123 S HA 0.196 4.666 4.470 0.000 0.000 0.227 123 S C 0.318 174.926 174.600 0.013 0.000 0.986 123 S CA 0.512 58.731 58.200 0.031 0.000 0.929 123 S CB -0.209 63.048 63.200 0.096 0.000 0.769 123 S HN 0.195 nan 8.310 nan 0.000 0.529 124 V N 1.942 121.846 119.914 -0.016 0.000 2.525 124 V HA 0.437 4.557 4.120 0.000 0.000 0.299 124 V C -0.094 175.983 176.094 -0.029 0.000 1.034 124 V CA -0.789 61.498 62.300 -0.021 0.000 0.863 124 V CB 0.972 32.770 31.823 -0.042 0.000 0.999 124 V HN 0.493 nan 8.190 nan 0.000 0.423 125 M N 2.643 122.233 119.600 -0.016 0.000 2.461 125 M HA -0.294 4.186 4.480 0.000 0.000 0.203 125 M C 1.031 177.323 176.300 -0.013 0.000 0.428 125 M CA 0.899 56.185 55.300 -0.023 0.000 0.509 125 M CB -1.456 31.111 32.600 -0.055 0.000 1.851 125 M HN 1.518 nan 8.290 nan 0.000 0.834 126 A N -0.701 122.121 122.820 0.003 0.000 5.476 126 A HA -0.278 4.042 4.320 0.000 0.000 0.327 126 A C 1.343 178.940 177.584 0.021 0.000 1.778 126 A CA 2.060 54.109 52.037 0.019 0.000 0.721 126 A CB -1.861 17.156 19.000 0.029 0.000 1.388 126 A HN 1.380 nan 8.150 nan 0.000 0.397 127 G N -1.220 107.604 108.800 0.039 0.000 2.776 127 G HA2 0.354 4.314 3.960 0.000 0.000 0.209 127 G HA3 0.354 4.314 3.960 0.000 0.000 0.209 127 G C 0.618 175.537 174.900 0.032 0.000 1.145 127 G CA 1.420 46.552 45.100 0.053 0.000 0.791 127 G HN 1.081 nan 8.290 nan 0.000 0.530 128 T N 2.531 117.087 114.554 0.004 0.000 2.901 128 T HA 0.316 4.666 4.350 0.000 0.000 0.301 128 T C -2.446 172.237 174.700 -0.029 0.000 1.012 128 T CA -0.671 61.415 62.100 -0.023 0.000 1.135 128 T CB 1.570 70.403 68.868 -0.059 0.000 0.936 128 T HN -0.097 nan 8.240 nan 0.000 0.539 129 P HA 0.266 nan 4.420 nan 0.000 0.264 129 P C -0.307 176.978 177.300 -0.026 0.000 1.229 129 P CA 0.045 63.152 63.100 0.011 0.000 0.780 129 P CB 0.561 32.293 31.700 0.054 0.000 0.808 130 A N 3.756 126.567 122.820 -0.015 0.000 1.971 130 A HA 0.119 4.439 4.320 0.000 0.000 0.200 130 A C 1.683 179.297 177.584 0.050 0.000 1.658 130 A CA 0.243 52.264 52.037 -0.026 0.000 0.962 130 A CB -0.721 18.236 19.000 -0.072 0.000 1.053 130 A HN 0.366 nan 8.150 nan 0.000 0.533 131 L N 1.227 122.427 121.223 -0.039 0.000 2.056 131 L HA -0.137 4.203 4.340 0.000 0.000 0.207 131 L C 2.963 179.873 176.870 0.066 0.000 1.078 131 L CA 1.853 56.654 54.840 -0.065 0.000 0.749 131 L CB -0.576 41.273 42.059 -0.351 0.000 0.901 131 L HN 0.607 nan 8.230 nan 0.000 0.433 132 S N -0.001 115.764 115.700 0.108 0.000 2.382 132 S HA -0.244 4.226 4.470 0.000 0.000 0.228 132 S C 1.961 176.627 174.600 0.111 0.000 1.027 132 S CA 0.948 59.219 58.200 0.118 0.000 0.991 132 S CB -0.950 62.321 63.200 0.119 0.000 0.823 132 S HN 0.382 nan 8.310 nan 0.000 0.469 133 F N 2.595 122.534 119.950 -0.019 0.000 2.095 133 F HA 0.012 4.540 4.527 0.000 0.000 0.298 133 F C 1.983 177.761 175.800 -0.035 0.000 1.104 133 F CA 1.465 59.447 58.000 -0.030 0.000 1.232 133 F CB -0.368 38.606 39.000 -0.044 0.000 0.987 133 F HN 0.137 nan 8.300 nan 0.000 0.475 134 L N -0.105 121.178 121.223 0.100 0.000 2.141 134 L HA -0.156 4.184 4.340 0.000 0.000 0.209 134 L C 2.319 179.135 176.870 -0.089 0.000 1.094 134 L CA 1.271 56.087 54.840 -0.040 0.000 0.763 134 L CB -0.762 41.312 42.059 0.026 0.000 0.908 134 L HN 0.225 nan 8.230 nan 0.000 0.437 135 E N -0.321 119.856 120.200 -0.039 0.000 2.077 135 E HA -0.184 4.166 4.350 0.000 0.000 0.193 135 E C 2.054 178.607 176.600 -0.078 0.000 0.989 135 E CA 1.740 58.117 56.400 -0.038 0.000 0.800 135 E CB -0.050 29.649 29.700 -0.001 0.000 0.746 135 E HN 0.415 nan 8.360 nan 0.000 0.452 136 T N 1.429 115.913 114.554 -0.115 0.000 2.904 136 T HA -0.046 4.304 4.350 0.000 0.000 0.267 136 T C 1.604 176.191 174.700 -0.188 0.000 1.059 136 T CA 0.354 62.370 62.100 -0.140 0.000 1.137 136 T CB 0.032 68.809 68.868 -0.152 0.000 0.879 136 T HN 0.050 nan 8.240 nan 0.000 0.467 137 L N 1.289 122.347 121.223 -0.276 0.000 2.456 137 L HA 0.075 4.415 4.340 0.000 0.000 0.224 137 L C 2.273 179.050 176.870 -0.155 0.000 1.148 137 L CA 1.264 55.942 54.840 -0.271 0.000 0.825 137 L CB -0.829 41.016 42.059 -0.357 0.000 0.937 137 L HN 0.257 nan 8.230 nan 0.000 0.450 138 R N -0.724 119.705 120.500 -0.119 0.000 2.241 138 R HA -0.117 4.223 4.340 0.000 0.000 0.224 138 R C 2.171 178.434 176.300 -0.061 0.000 1.101 138 R CA 0.840 56.894 56.100 -0.076 0.000 0.995 138 R CB -0.346 29.920 30.300 -0.057 0.000 0.870 138 R HN 0.412 nan 8.270 nan 0.000 0.463 139 G N -0.284 108.472 108.800 -0.073 0.000 2.448 139 G HA2 -0.154 3.806 3.960 0.000 0.000 0.219 139 G HA3 -0.154 3.806 3.960 0.000 0.000 0.219 139 G C 0.453 175.325 174.900 -0.046 0.000 1.127 139 G CA 0.492 45.559 45.100 -0.056 0.000 0.766 139 G HN 0.177 nan 8.290 nan 0.000 0.552 140 S N -0.925 114.741 115.700 -0.056 0.000 2.786 140 S HA 0.521 4.991 4.470 0.000 0.000 0.307 140 S C -0.777 173.810 174.600 -0.022 0.000 1.121 140 S CA -0.672 57.505 58.200 -0.039 0.000 0.975 140 S CB 1.857 65.026 63.200 -0.052 0.000 1.220 140 S HN 0.310 nan 8.310 nan 0.000 0.550 141 E N 1.098 121.300 120.200 0.004 0.000 2.133 141 E HA 0.328 4.679 4.350 0.000 0.000 0.274 141 E C -1.087 175.550 176.600 0.062 0.000 0.930 141 E CA -0.687 55.738 56.400 0.042 0.000 0.770 141 E CB 1.359 31.094 29.700 0.060 0.000 1.104 141 E HN 0.273 nan 8.360 nan 0.000 0.403 142 L N 4.240 125.512 121.223 0.082 0.000 2.540 142 L HA -0.045 4.295 4.340 0.000 0.000 0.276 142 L C 0.029 177.050 176.870 0.251 0.000 1.212 142 L CA 0.905 55.808 54.840 0.105 0.000 0.893 142 L CB 0.242 42.301 42.059 -0.001 0.000 1.138 142 L HN 0.744 nan 8.230 nan 0.000 0.491 143 L N 3.333 124.659 121.223 0.172 0.000 2.347 143 L HA 0.292 4.632 4.340 0.000 0.000 0.196 143 L C 0.215 177.237 176.870 0.252 0.000 1.072 143 L CA 0.280 55.227 54.840 0.178 0.000 0.817 143 L CB -0.012 42.101 42.059 0.090 0.000 1.029 143 L HN 0.809 nan 8.230 nan 0.000 0.478 144 E N -0.155 120.156 120.200 0.185 0.000 2.390 144 E HA 0.525 4.875 4.350 0.000 0.000 0.280 144 E C -1.340 175.284 176.600 0.041 0.000 0.992 144 E CA -0.714 55.789 56.400 0.173 0.000 0.790 144 E CB 2.404 32.232 29.700 0.214 0.000 1.248 144 E HN -0.005 nan 8.360 nan 0.000 0.447 145 L N 2.105 123.260 121.223 -0.112 0.000 2.410 145 L HA 0.582 4.922 4.340 0.000 0.000 0.270 145 L C -1.686 175.047 176.870 -0.229 0.000 0.983 145 L CA -0.484 54.318 54.840 -0.064 0.000 0.822 145 L CB 1.708 43.733 42.059 -0.057 0.000 1.285 145 L HN 0.684 nan 8.230 nan 0.000 0.409 146 H N 3.477 122.817 119.070 0.450 0.000 2.759 146 H HA 0.731 5.287 4.556 0.000 0.000 0.354 146 H C -0.674 174.892 175.328 0.397 0.000 1.074 146 H CA -0.547 55.767 56.048 0.443 0.000 1.226 146 H CB 2.272 32.390 29.762 0.594 0.000 1.648 146 H HN 0.848 nan 8.280 nan 0.000 0.529 147 G N 1.344 110.369 108.800 0.375 0.000 2.690 147 G HA2 0.519 4.479 3.960 0.000 0.000 0.293 147 G HA3 0.519 4.479 3.960 0.000 0.000 0.293 147 G C -1.131 173.878 174.900 0.182 0.000 1.399 147 G CA -0.708 44.549 45.100 0.261 0.000 0.890 147 G HN 0.480 nan 8.290 nan 0.000 0.485 148 I N 1.870 122.521 120.570 0.135 0.000 2.347 148 I HA 0.232 4.402 4.170 0.000 0.000 0.283 148 I C 0.412 176.566 176.117 0.062 0.000 1.058 148 I CA -0.289 61.063 61.300 0.087 0.000 1.202 148 I CB 1.161 39.202 38.000 0.069 0.000 1.386 148 I HN 0.277 nan 8.210 nan 0.000 0.475 149 L N 4.871 126.131 121.223 0.061 0.000 2.667 149 L HA 0.275 4.615 4.340 0.000 0.000 0.232 149 L C 0.622 177.516 176.870 0.041 0.000 1.138 149 L CA 0.147 55.013 54.840 0.044 0.000 0.921 149 L CB -0.305 41.783 42.059 0.049 0.000 1.180 149 L HN 0.568 nan 8.230 nan 0.000 0.487 150 N N 0.222 118.949 118.700 0.045 0.000 2.399 150 N HA 0.173 4.913 4.740 0.000 0.000 0.284 150 N C 0.770 176.307 175.510 0.044 0.000 1.025 150 N CA 0.032 53.110 53.050 0.046 0.000 0.885 150 N CB 2.401 40.919 38.487 0.053 0.000 1.339 150 N HN 0.034 nan 8.380 nan 0.000 0.487 151 G N 1.889 110.713 108.800 0.042 0.000 2.418 151 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 151 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 151 G C 1.106 176.047 174.900 0.068 0.000 1.158 151 G CA 1.233 46.356 45.100 0.038 0.000 0.771 151 G HN 0.608 nan 8.290 nan 0.000 0.545 152 T N 1.317 115.917 114.554 0.077 0.000 2.674 152 T HA -0.170 4.180 4.350 0.000 0.000 0.265 152 T C 2.832 177.598 174.700 0.110 0.000 1.039 152 T CA 2.341 64.501 62.100 0.100 0.000 1.150 152 T CB -0.777 68.135 68.868 0.073 0.000 0.864 152 T HN 0.556 nan 8.240 nan 0.000 0.427 153 T N 1.150 115.751 114.554 0.077 0.000 2.867 153 T HA -0.004 4.346 4.350 0.000 0.000 0.268 153 T C 1.943 176.672 174.700 0.050 0.000 1.057 153 T CA 0.733 62.872 62.100 0.064 0.000 1.136 153 T CB -0.543 68.363 68.868 0.064 0.000 0.874 153 T HN 0.150 nan 8.240 nan 0.000 0.466 154 L N 0.251 121.505 121.223 0.052 0.000 1.994 154 L HA 0.055 4.395 4.340 0.000 0.000 0.208 154 L C 2.339 179.219 176.870 0.016 0.000 1.071 154 L CA 1.618 56.474 54.840 0.026 0.000 0.745 154 L CB -1.278 40.796 42.059 0.024 0.000 0.892 154 L HN 0.316 nan 8.230 nan 0.000 0.431 155 Y N 0.013 120.274 120.300 -0.066 0.000 2.128 155 Y HA -0.274 4.276 4.550 0.000 0.000 0.284 155 Y C 2.369 178.235 175.900 -0.057 0.000 1.154 155 Y CA 2.219 60.269 58.100 -0.083 0.000 1.149 155 Y CB -0.293 38.116 38.460 -0.084 0.000 0.976 155 Y HN 0.250 nan 8.280 nan 0.000 0.505 156 I N -0.383 120.184 120.570 -0.004 0.000 2.179 156 I HA -0.351 3.819 4.170 0.000 0.000 0.242 156 I C 2.285 178.319 176.117 -0.138 0.000 1.088 156 I CA 1.413 62.650 61.300 -0.106 0.000 1.357 156 I CB -0.438 37.508 38.000 -0.089 0.000 1.051 156 I HN 0.266 nan 8.210 nan 0.000 0.409 157 L N -0.106 121.068 121.223 -0.083 0.000 2.093 157 L HA -0.214 4.126 4.340 0.000 0.000 0.208 157 L C 2.609 179.412 176.870 -0.113 0.000 1.085 157 L CA 1.294 56.093 54.840 -0.069 0.000 0.755 157 L CB -0.640 41.396 42.059 -0.039 0.000 0.904 157 L HN 0.337 nan 8.230 nan 0.000 0.435 158 Q N -0.288 119.415 119.800 -0.161 0.000 2.084 158 Q HA -0.190 4.150 4.340 0.000 0.000 0.202 158 Q C 2.119 177.990 176.000 -0.215 0.000 0.978 158 Q CA 1.184 56.879 55.803 -0.180 0.000 0.844 158 Q CB -0.009 28.607 28.738 -0.204 0.000 0.898 158 Q HN 0.409 nan 8.270 nan 0.000 0.426 159 E N 0.381 120.387 120.200 -0.323 0.000 2.152 159 E HA -0.075 4.275 4.350 0.000 0.000 0.192 159 E C 1.894 178.401 176.600 -0.154 0.000 0.983 159 E CA 0.892 57.123 56.400 -0.283 0.000 0.818 159 E CB -0.084 29.369 29.700 -0.412 0.000 0.758 159 E HN 0.442 nan 8.360 nan 0.000 0.467 160 M N 0.747 120.272 119.600 -0.125 0.000 2.254 160 M HA -0.128 4.352 4.480 0.000 0.000 0.265 160 M C 2.082 178.352 176.300 -0.051 0.000 1.066 160 M CA 1.246 56.510 55.300 -0.060 0.000 1.123 160 M CB -0.260 32.327 32.600 -0.021 0.000 1.388 160 M HN 0.098 nan 8.290 nan 0.000 0.425 161 E N 0.494 120.654 120.200 -0.066 0.000 2.418 161 E HA -0.149 4.201 4.350 0.000 0.000 0.197 161 E C 1.121 177.689 176.600 -0.054 0.000 1.026 161 E CA 0.772 57.138 56.400 -0.056 0.000 0.862 161 E CB -0.210 29.453 29.700 -0.063 0.000 0.799 161 E HN 0.469 nan 8.360 nan 0.000 0.518 162 K N 0.043 120.405 120.400 -0.063 0.000 2.444 162 K HA 0.122 4.442 4.320 0.000 0.000 0.193 162 K C 0.897 177.473 176.600 -0.039 0.000 1.024 162 K CA 0.454 56.709 56.287 -0.053 0.000 1.077 162 K CB 0.634 33.095 32.500 -0.064 0.000 0.833 162 K HN 0.348 nan 8.250 nan 0.000 0.517 163 G N 1.802 110.581 108.800 -0.035 0.000 2.179 163 G HA2 -0.242 3.718 3.960 0.000 0.000 0.220 163 G HA3 -0.242 3.718 3.960 0.000 0.000 0.220 163 G C -0.141 174.750 174.900 -0.015 0.000 0.990 163 G CA -0.492 44.596 45.100 -0.021 0.000 0.646 163 G HN 0.208 nan 8.290 nan 0.000 0.517 164 R N 1.496 121.981 120.500 -0.025 0.000 2.539 164 R HA 0.504 4.844 4.340 0.000 0.000 0.275 164 R C 1.237 177.538 176.300 0.002 0.000 1.077 164 R CA 0.374 56.465 56.100 -0.016 0.000 1.097 164 R CB 0.516 30.795 30.300 -0.034 0.000 1.018 164 R HN 0.405 nan 8.270 nan 0.000 0.483 165 T N -1.245 113.322 114.554 0.023 0.000 2.766 165 T HA -0.065 4.285 4.350 0.000 0.000 0.295 165 T C 1.133 175.882 174.700 0.082 0.000 1.024 165 T CA -0.396 61.741 62.100 0.061 0.000 1.018 165 T CB 0.428 69.338 68.868 0.070 0.000 1.002 165 T HN 0.629 nan 8.240 nan 0.000 0.532 166 Y N 1.572 121.875 120.300 0.006 0.000 2.128 166 Y HA -0.058 4.492 4.550 0.000 0.000 0.284 166 Y C 2.706 178.624 175.900 0.029 0.000 1.154 166 Y CA 2.212 60.321 58.100 0.015 0.000 1.149 166 Y CB -0.970 37.498 38.460 0.014 0.000 0.976 166 Y HN 0.808 nan 8.280 nan 0.000 0.505 167 A N 0.183 123.127 122.820 0.207 0.000 1.898 167 A HA -0.188 4.132 4.320 0.000 0.000 0.216 167 A C 2.036 179.637 177.584 0.029 0.000 1.181 167 A CA 1.846 53.954 52.037 0.118 0.000 0.620 167 A CB -0.693 18.390 19.000 0.138 0.000 0.819 167 A HN 0.661 nan 8.150 nan 0.000 0.442 168 E N -0.102 120.118 120.200 0.032 0.000 2.077 168 E HA -0.099 4.251 4.350 0.000 0.000 0.193 168 E C 2.329 178.943 176.600 0.023 0.000 0.989 168 E CA 0.959 57.374 56.400 0.026 0.000 0.800 168 E CB -0.308 29.407 29.700 0.025 0.000 0.746 168 E HN 0.614 nan 8.360 nan 0.000 0.452 169 A N 1.454 124.265 122.820 -0.016 0.000 1.877 169 A HA -0.166 4.154 4.320 0.000 0.000 0.216 169 A C 2.205 179.821 177.584 0.053 0.000 1.186 169 A CA 1.130 53.163 52.037 -0.007 0.000 0.620 169 A CB -0.611 18.320 19.000 -0.116 0.000 0.822 169 A HN 0.229 nan 8.150 nan 0.000 0.443 170 L N -0.097 121.059 121.223 -0.112 0.000 2.012 170 L HA -0.119 4.221 4.340 0.000 0.000 0.210 170 L C 2.277 179.143 176.870 -0.007 0.000 1.073 170 L CA 1.743 56.519 54.840 -0.107 0.000 0.748 170 L CB -0.632 41.275 42.059 -0.253 0.000 0.891 170 L HN 0.404 nan 8.230 nan 0.000 0.431 171 L N -0.580 120.645 121.223 0.004 0.000 2.046 171 L HA -0.232 4.108 4.340 0.000 0.000 0.208 171 L C 2.598 179.480 176.870 0.019 0.000 1.077 171 L CA 1.744 56.592 54.840 0.013 0.000 0.747 171 L CB -0.518 41.552 42.059 0.019 0.000 0.896 171 L HN 0.430 nan 8.230 nan 0.000 0.432 172 E N 0.235 120.477 120.200 0.070 0.000 2.072 172 E HA -0.214 4.136 4.350 0.000 0.000 0.191 172 E C 2.184 178.786 176.600 0.002 0.000 0.985 172 E CA 1.238 57.691 56.400 0.088 0.000 0.801 172 E CB -0.026 29.803 29.700 0.214 0.000 0.750 172 E HN 0.400 nan 8.360 nan 0.000 0.452 173 A N 0.597 123.441 122.820 0.039 0.000 1.908 173 A HA -0.292 4.028 4.320 0.000 0.000 0.218 173 A C 2.134 179.601 177.584 -0.196 0.000 1.181 173 A CA 1.934 53.853 52.037 -0.196 0.000 0.627 173 A CB -0.649 18.351 19.000 -0.001 0.000 0.818 173 A HN 0.393 nan 8.150 nan 0.000 0.445 174 Q N -1.258 118.481 119.800 -0.101 0.000 2.079 174 Q HA -0.153 4.187 4.340 0.000 0.000 0.200 174 Q C 2.388 178.304 176.000 -0.140 0.000 0.974 174 Q CA 1.470 57.212 55.803 -0.101 0.000 0.840 174 Q CB -0.193 28.516 28.738 -0.049 0.000 0.898 174 Q HN 0.713 nan 8.270 nan 0.000 0.430 175 R N 0.861 121.286 120.500 -0.125 0.000 2.081 175 R HA -0.110 4.230 4.340 0.000 0.000 0.235 175 R C 1.928 178.105 176.300 -0.205 0.000 1.131 175 R CA 1.117 57.142 56.100 -0.125 0.000 0.960 175 R CB -0.080 30.174 30.300 -0.077 0.000 0.856 175 R HN 0.225 nan 8.270 nan 0.000 0.436 176 L N -1.048 119.978 121.223 -0.329 0.000 2.492 176 L HA 0.181 4.521 4.340 0.000 0.000 0.223 176 L C 1.376 177.804 176.870 -0.736 0.000 1.132 176 L CA 0.714 55.235 54.840 -0.533 0.000 0.850 176 L CB 0.244 41.894 42.059 -0.681 0.000 0.966 176 L HN 0.688 nan 8.230 nan 0.000 0.454 177 G N -1.518 106.930 108.800 -0.588 0.000 2.201 177 G HA2 -0.295 3.665 3.960 0.000 0.000 0.212 177 G HA3 -0.295 3.665 3.960 0.000 0.000 0.212 177 G C 0.380 175.078 174.900 -0.336 0.000 0.994 177 G CA -0.106 44.740 45.100 -0.423 0.000 0.644 177 G HN 0.230 nan 8.290 nan 0.000 0.508 178 Y N 1.186 121.362 120.300 -0.207 0.000 2.578 178 Y HA 0.607 5.158 4.550 0.000 0.000 0.297 178 Y C 1.477 177.292 175.900 -0.142 0.000 1.176 178 Y CA 0.156 58.125 58.100 -0.218 0.000 1.315 178 Y CB -0.167 38.027 38.460 -0.443 0.000 1.031 178 Y HN 0.839 nan 8.280 nan 0.000 0.524 179 A N -0.803 122.002 122.820 -0.025 0.000 2.574 179 A HA 0.590 4.910 4.320 0.000 0.000 0.297 179 A C -0.561 177.010 177.584 -0.022 0.000 1.062 179 A CA -0.995 51.039 52.037 -0.004 0.000 0.686 179 A CB 1.370 20.371 19.000 0.003 0.000 1.285 179 A HN -0.055 nan 8.150 nan 0.000 0.403 180 E N 0.445 120.645 120.200 -0.001 0.000 2.351 180 E HA 0.469 4.819 4.350 0.000 0.000 0.255 180 E C 1.587 178.186 176.600 -0.001 0.000 1.188 180 E CA 0.292 56.690 56.400 -0.003 0.000 0.940 180 E CB 0.991 30.697 29.700 0.010 0.000 1.094 180 E HN 0.780 nan 8.360 nan 0.000 0.474 181 A N 0.923 123.742 122.820 -0.002 0.000 1.892 181 A HA -0.186 4.134 4.320 0.000 0.000 0.218 181 A C 0.890 178.483 177.584 0.014 0.000 1.188 181 A CA 1.834 53.872 52.037 0.002 0.000 0.631 181 A CB -0.109 18.892 19.000 0.001 0.000 0.822 181 A HN 0.450 nan 8.150 nan 0.000 0.447 182 D N -1.229 119.182 120.400 0.020 0.000 2.464 182 D HA 0.323 4.963 4.640 0.000 0.000 0.243 182 D C -2.194 174.127 176.300 0.036 0.000 1.104 182 D CA -1.888 52.130 54.000 0.030 0.000 0.883 182 D CB 1.342 42.160 40.800 0.030 0.000 1.050 182 D HN 0.154 nan 8.370 nan 0.000 0.524 183 P HA 0.061 nan 4.420 nan 0.000 0.257 183 P C 1.036 178.374 177.300 0.063 0.000 1.325 183 P CA -0.065 63.065 63.100 0.050 0.000 0.850 183 P CB 0.500 32.229 31.700 0.048 0.000 1.324 184 T N 1.663 116.254 114.554 0.062 0.000 2.592 184 T HA -0.197 4.153 4.350 0.000 0.000 0.267 184 T C 1.843 176.578 174.700 0.058 0.000 1.060 184 T CA 1.550 63.688 62.100 0.064 0.000 1.167 184 T CB -0.820 68.081 68.868 0.054 0.000 0.863 184 T HN 0.140 nan 8.240 nan 0.000 0.431 185 L N 0.846 122.101 121.223 0.052 0.000 2.187 185 L HA -0.145 4.195 4.340 0.000 0.000 0.213 185 L C 2.427 179.318 176.870 0.035 0.000 1.100 185 L CA 1.184 56.048 54.840 0.041 0.000 0.765 185 L CB -0.720 41.370 42.059 0.051 0.000 0.904 185 L HN 0.318 nan 8.230 nan 0.000 0.437 186 D N 0.062 120.491 120.400 0.050 0.000 2.106 186 D HA -0.111 4.529 4.640 0.000 0.000 0.203 186 D C 2.240 178.578 176.300 0.064 0.000 0.977 186 D CA 1.700 55.732 54.000 0.053 0.000 0.844 186 D CB -0.291 40.543 40.800 0.057 0.000 1.002 186 D HN 0.326 nan 8.370 nan 0.000 0.461 187 V N -0.064 119.900 119.914 0.083 0.000 2.720 187 V HA -0.093 4.027 4.120 0.000 0.000 0.256 187 V C 1.553 177.704 176.094 0.095 0.000 1.082 187 V CA 1.436 63.804 62.300 0.114 0.000 1.101 187 V CB -0.446 31.482 31.823 0.175 0.000 0.693 187 V HN -0.044 nan 8.190 nan 0.000 0.479 188 E N 0.747 120.988 120.200 0.069 0.000 2.479 188 E HA 0.237 4.587 4.350 0.000 0.000 0.193 188 E C 1.824 178.449 176.600 0.043 0.000 1.049 188 E CA 0.673 57.104 56.400 0.052 0.000 0.870 188 E CB 0.321 30.048 29.700 0.044 0.000 0.944 188 E HN 0.878 nan 8.360 nan 0.000 0.492 189 G N 1.585 110.411 108.800 0.044 0.000 2.162 189 G HA2 -0.271 3.689 3.960 0.000 0.000 0.260 189 G HA3 -0.271 3.689 3.960 0.000 0.000 0.260 189 G C 1.030 175.941 174.900 0.018 0.000 0.976 189 G CA 0.437 45.561 45.100 0.040 0.000 0.655 189 G HN 0.278 nan 8.290 nan 0.000 0.533 190 I N 0.998 121.560 120.570 -0.012 0.000 2.353 190 I HA -0.023 4.147 4.170 0.000 0.000 0.248 190 I C 2.267 178.229 176.117 -0.259 0.000 1.119 190 I CA 2.019 63.261 61.300 -0.097 0.000 1.417 190 I CB -1.042 36.897 38.000 -0.102 0.000 1.078 190 I HN 0.326 nan 8.210 nan 0.000 0.421 191 D N 1.037 121.366 120.400 -0.118 0.000 2.144 191 D HA -0.128 4.512 4.640 0.000 0.000 0.199 191 D C 2.213 178.532 176.300 0.032 0.000 0.984 191 D CA 1.423 55.410 54.000 -0.022 0.000 0.834 191 D CB 0.245 41.074 40.800 0.049 0.000 0.955 191 D HN 0.254 nan 8.370 nan 0.000 0.465 192 A N 0.405 123.246 122.820 0.035 0.000 1.898 192 A HA 0.079 4.399 4.320 0.000 0.000 0.216 192 A C 2.372 180.009 177.584 0.089 0.000 1.181 192 A CA 1.876 53.952 52.037 0.064 0.000 0.620 192 A CB -1.040 17.999 19.000 0.066 0.000 0.819 192 A HN 0.326 nan 8.150 nan 0.000 0.442 193 A N -0.687 122.190 122.820 0.094 0.000 1.902 193 A HA -0.187 4.133 4.320 0.000 0.000 0.217 193 A C 1.906 179.682 177.584 0.321 0.000 1.181 193 A CA 1.751 53.906 52.037 0.196 0.000 0.623 193 A CB -1.006 18.132 19.000 0.230 0.000 0.818 193 A HN 0.759 nan 8.150 nan 0.000 0.443 194 H N -0.437 118.747 119.070 0.190 0.000 2.290 194 H HA -0.122 4.434 4.556 0.000 0.000 0.298 194 H C 2.207 177.529 175.328 -0.009 0.000 1.087 194 H CA 1.676 57.712 56.048 -0.021 0.000 1.291 194 H CB -0.016 29.664 29.762 -0.136 0.000 1.369 194 H HN 0.436 nan 8.280 nan 0.000 0.492 195 K N 0.292 120.781 120.400 0.148 0.000 2.057 195 K HA -0.152 4.168 4.320 0.000 0.000 0.207 195 K C 2.129 178.746 176.600 0.028 0.000 1.049 195 K CA 1.072 57.396 56.287 0.062 0.000 0.931 195 K CB -0.165 32.367 32.500 0.053 0.000 0.714 195 K HN 0.080 nan 8.250 nan 0.000 0.440 196 L N 1.351 122.604 121.223 0.049 0.000 2.083 196 L HA -0.169 4.171 4.340 0.000 0.000 0.209 196 L C 1.921 178.752 176.870 -0.064 0.000 1.083 196 L CA 1.895 56.732 54.840 -0.005 0.000 0.752 196 L CB -0.685 41.388 42.059 0.023 0.000 0.899 196 L HN 0.121 nan 8.230 nan 0.000 0.433 197 T N -0.330 114.245 114.554 0.035 0.000 2.708 197 T HA -0.160 4.190 4.350 0.000 0.000 0.266 197 T C 1.833 176.463 174.700 -0.118 0.000 1.037 197 T CA 1.660 63.783 62.100 0.040 0.000 1.146 197 T CB -0.293 68.704 68.868 0.215 0.000 0.865 197 T HN 0.167 nan 8.240 nan 0.000 0.435 198 L N 0.731 121.879 121.223 -0.124 0.000 2.046 198 L HA 0.012 4.352 4.340 0.000 0.000 0.208 198 L C 2.359 179.146 176.870 -0.139 0.000 1.077 198 L CA 1.410 56.151 54.840 -0.165 0.000 0.747 198 L CB -1.020 40.998 42.059 -0.068 0.000 0.896 198 L HN 0.278 nan 8.230 nan 0.000 0.432 199 L N -1.284 119.863 121.223 -0.127 0.000 2.046 199 L HA -0.202 4.138 4.340 0.000 0.000 0.208 199 L C 2.672 179.410 176.870 -0.221 0.000 1.077 199 L CA 1.189 55.945 54.840 -0.139 0.000 0.747 199 L CB -0.905 41.086 42.059 -0.112 0.000 0.896 199 L HN 0.272 nan 8.230 nan 0.000 0.432 200 A N 0.361 122.989 122.820 -0.320 0.000 1.902 200 A HA -0.213 4.107 4.320 0.000 0.000 0.217 200 A C 2.393 179.786 177.584 -0.318 0.000 1.181 200 A CA 1.611 53.356 52.037 -0.485 0.000 0.623 200 A CB -0.473 18.002 19.000 -0.875 0.000 0.818 200 A HN 0.338 nan 8.150 nan 0.000 0.443 201 R N -0.966 119.409 120.500 -0.208 0.000 2.115 201 R HA 0.039 4.379 4.340 0.000 0.000 0.230 201 R C 2.161 178.432 176.300 -0.047 0.000 1.111 201 R CA 1.227 57.265 56.100 -0.103 0.000 0.976 201 R CB -0.426 29.730 30.300 -0.240 0.000 0.870 201 R HN 0.584 nan 8.270 nan 0.000 0.445 202 L N 0.309 121.487 121.223 -0.075 0.000 2.109 202 L HA -0.109 4.231 4.340 0.000 0.000 0.207 202 L C 1.792 178.629 176.870 -0.054 0.000 1.086 202 L CA 1.013 55.838 54.840 -0.024 0.000 0.760 202 L CB 0.077 42.117 42.059 -0.031 0.000 0.910 202 L HN 0.175 nan 8.230 nan 0.000 0.437 203 L N -1.549 119.599 121.223 -0.126 0.000 2.349 203 L HA 0.048 4.388 4.340 0.000 0.000 0.200 203 L C 1.895 178.656 176.870 -0.183 0.000 1.064 203 L CA 1.509 56.257 54.840 -0.153 0.000 0.821 203 L CB 0.422 42.361 42.059 -0.200 0.000 1.027 203 L HN 0.217 nan 8.230 nan 0.000 0.476 204 V N -4.500 115.239 119.914 -0.292 0.000 3.572 204 V HA 0.401 4.521 4.120 0.000 0.000 0.260 204 V C -0.278 175.750 176.094 -0.111 0.000 1.324 204 V CA 0.303 62.423 62.300 -0.301 0.000 1.068 204 V CB 0.618 31.916 31.823 -0.876 0.000 0.837 204 V HN 0.345 nan 8.190 nan 0.000 0.450 205 D N 1.136 121.498 120.400 -0.063 0.000 2.470 205 D HA 0.347 4.987 4.640 0.000 0.000 0.233 205 D C -2.197 174.184 176.300 0.134 0.000 1.372 205 D CA -1.361 52.697 54.000 0.097 0.000 0.994 205 D CB 2.292 43.227 40.800 0.224 0.000 1.377 205 D HN 0.092 nan 8.370 nan 0.000 0.586 206 P HA 0.012 nan 4.420 nan 0.000 0.223 206 P C 0.918 178.462 177.300 0.406 0.000 1.144 206 P CA 0.676 63.927 63.100 0.252 0.000 0.783 206 P CB 0.390 32.215 31.700 0.208 0.000 0.771 207 G N -1.466 107.516 108.800 0.303 0.000 3.575 207 G HA2 0.080 4.040 3.960 0.000 0.000 0.273 207 G HA3 0.080 4.040 3.960 0.000 0.000 0.273 207 G C -0.268 174.773 174.900 0.235 0.000 1.053 207 G CA -0.400 44.896 45.100 0.327 0.000 0.803 207 G HN 0.103 nan 8.290 nan 0.000 0.528 208 F N 3.569 123.557 119.950 0.064 0.000 2.569 208 F HA 0.201 4.728 4.527 0.000 0.000 0.395 208 F C -1.467 174.348 175.800 0.024 0.000 1.028 208 F CA -1.870 56.139 58.000 0.015 0.000 1.158 208 F CB 0.765 39.734 39.000 -0.053 0.000 1.023 208 F HN 0.016 nan 8.300 nan 0.000 0.547 209 P HA -0.001 nan 4.420 nan 0.000 0.281 209 P C 0.503 177.792 177.300 -0.018 0.000 1.252 209 P CA -0.163 62.875 63.100 -0.104 0.000 0.778 209 P CB 0.791 32.400 31.700 -0.152 0.000 0.895 210 F N 4.887 124.851 119.950 0.024 0.000 2.126 210 F HA -0.196 4.331 4.527 0.000 0.000 0.299 210 F C 2.100 177.932 175.800 0.054 0.000 1.096 210 F CA 2.023 60.074 58.000 0.085 0.000 1.255 210 F CB -0.987 38.075 39.000 0.102 0.000 0.997 210 F HN 0.395 nan 8.300 nan 0.000 0.479 211 A N -0.173 122.525 122.820 -0.202 0.000 2.186 211 A HA -0.174 4.146 4.320 0.000 0.000 0.219 211 A C 2.023 179.446 177.584 -0.269 0.000 1.159 211 A CA 1.670 53.521 52.037 -0.311 0.000 0.680 211 A CB -0.832 18.100 19.000 -0.113 0.000 0.787 211 A HN 0.637 nan 8.150 nan 0.000 0.467 212 E N -0.486 119.569 120.200 -0.241 0.000 2.478 212 E HA 0.094 4.444 4.350 0.000 0.000 0.194 212 E C -0.424 176.131 176.600 -0.076 0.000 1.045 212 E CA -0.233 56.046 56.400 -0.201 0.000 0.868 212 E CB 0.227 29.703 29.700 -0.373 0.000 0.885 212 E HN 0.365 nan 8.360 nan 0.000 0.505 213 V N 2.677 122.552 119.914 -0.064 0.000 2.555 213 V HA 0.005 4.125 4.120 0.000 0.000 0.286 213 V C 0.218 176.270 176.094 -0.070 0.000 1.044 213 V CA 0.208 62.518 62.300 0.016 0.000 1.026 213 V CB 0.946 32.793 31.823 0.039 0.000 0.981 213 V HN 0.091 nan 8.190 nan 0.000 0.480 214 E N 3.750 123.946 120.200 -0.008 0.000 2.081 214 E HA 0.617 4.967 4.350 0.000 0.000 0.281 214 E C -0.257 176.350 176.600 0.013 0.000 0.986 214 E CA -0.280 56.114 56.400 -0.009 0.000 0.796 214 E CB 1.526 31.239 29.700 0.022 0.000 1.085 214 E HN 0.789 nan 8.360 nan 0.000 0.398 215 A N 3.938 126.754 122.820 -0.007 0.000 2.350 215 A HA 0.535 4.855 4.320 0.000 0.000 0.324 215 A C -0.689 176.908 177.584 0.023 0.000 1.118 215 A CA -0.638 51.410 52.037 0.018 0.000 0.783 215 A CB 1.201 20.207 19.000 0.010 0.000 1.236 215 A HN 0.619 nan 8.150 nan 0.000 0.457 216 Q N 0.413 120.236 119.800 0.039 0.000 2.315 216 Q HA 0.544 4.884 4.340 0.000 0.000 0.273 216 Q C 0.146 176.172 176.000 0.044 0.000 1.053 216 Q CA -0.622 55.203 55.803 0.037 0.000 0.817 216 Q CB 2.436 31.197 28.738 0.039 0.000 1.326 216 Q HN 0.949 nan 8.270 nan 0.000 0.423 217 G N 0.707 109.532 108.800 0.042 0.000 2.606 217 G HA2 0.487 4.447 3.960 0.000 0.000 0.262 217 G HA3 0.487 4.447 3.960 0.000 0.000 0.262 217 G C 0.489 175.423 174.900 0.057 0.000 1.394 217 G CA -0.665 44.467 45.100 0.054 0.000 1.044 217 G HN 0.741 nan 8.290 nan 0.000 0.553 218 I N -2.392 118.228 120.570 0.083 0.000 3.904 218 I HA 0.413 4.583 4.170 0.000 0.000 0.333 218 I C 1.982 178.146 176.117 0.079 0.000 1.361 218 I CA 0.342 61.699 61.300 0.095 0.000 1.116 218 I CB 0.562 38.648 38.000 0.143 0.000 1.028 218 I HN 0.293 nan 8.210 nan 0.000 0.398 219 A N 2.112 124.944 122.820 0.021 0.000 2.076 219 A HA -0.124 4.196 4.320 0.000 0.000 0.220 219 A C 2.398 179.896 177.584 -0.143 0.000 1.160 219 A CA 1.364 53.334 52.037 -0.112 0.000 0.653 219 A CB -0.514 18.436 19.000 -0.085 0.000 0.801 219 A HN 0.568 nan 8.150 nan 0.000 0.455 220 R N -0.971 119.492 120.500 -0.061 0.000 2.246 220 R HA 0.256 4.596 4.340 0.000 0.000 0.199 220 R C -0.077 176.200 176.300 -0.038 0.000 0.984 220 R CA -0.192 55.876 56.100 -0.054 0.000 1.015 220 R CB -0.192 30.093 30.300 -0.026 0.000 0.930 220 R HN 0.408 nan 8.270 nan 0.000 0.475 221 L N 1.826 123.044 121.223 -0.009 0.000 2.456 221 L HA 0.098 4.438 4.340 0.000 0.000 0.272 221 L C 0.604 177.491 176.870 0.030 0.000 1.189 221 L CA 0.204 55.056 54.840 0.020 0.000 0.846 221 L CB 0.586 42.677 42.059 0.053 0.000 1.111 221 L HN 0.148 nan 8.230 nan 0.000 0.475 222 T N -1.329 113.240 114.554 0.025 0.000 2.896 222 T HA 0.408 4.758 4.350 0.000 0.000 0.297 222 T C -2.341 172.374 174.700 0.024 0.000 1.108 222 T CA -1.861 60.257 62.100 0.030 0.000 1.004 222 T CB 2.213 71.085 68.868 0.008 0.000 1.159 222 T HN 0.195 nan 8.240 nan 0.000 0.499 223 P HA -0.049 nan 4.420 nan 0.000 0.216 223 P C 1.022 178.320 177.300 -0.002 0.000 1.150 223 P CA 1.088 64.193 63.100 0.008 0.000 0.837 223 P CB 0.084 31.790 31.700 0.010 0.000 0.786 224 E N -0.628 119.572 120.200 -0.000 0.000 2.051 224 E HA -0.123 4.227 4.350 0.000 0.000 0.192 224 E C 2.032 178.626 176.600 -0.010 0.000 0.991 224 E CA 0.983 57.380 56.400 -0.006 0.000 0.799 224 E CB -1.432 28.265 29.700 -0.005 0.000 0.748 224 E HN 0.024 nan 8.360 nan 0.000 0.449 225 V N 1.131 121.041 119.914 -0.008 0.000 2.343 225 V HA -0.248 3.872 4.120 0.000 0.000 0.247 225 V C 2.195 178.278 176.094 -0.019 0.000 1.051 225 V CA 1.526 63.818 62.300 -0.012 0.000 1.036 225 V CB -0.530 31.288 31.823 -0.008 0.000 0.654 225 V HN 0.262 nan 8.190 nan 0.000 0.451 226 L N -0.669 120.543 121.223 -0.018 0.000 2.027 226 L HA -0.207 4.133 4.340 0.000 0.000 0.206 226 L C 2.579 179.429 176.870 -0.034 0.000 1.074 226 L CA 1.707 56.530 54.840 -0.029 0.000 0.745 226 L CB -0.797 41.245 42.059 -0.028 0.000 0.898 226 L HN 0.340 nan 8.230 nan 0.000 0.433 227 Q N 0.083 119.867 119.800 -0.027 0.000 2.364 227 Q HA -0.199 4.141 4.340 0.000 0.000 0.207 227 Q C 2.055 178.039 176.000 -0.027 0.000 0.970 227 Q CA 1.037 56.824 55.803 -0.028 0.000 0.888 227 Q CB 0.033 28.757 28.738 -0.022 0.000 0.951 227 Q HN 0.368 nan 8.270 nan 0.000 0.469 228 K N -0.156 120.229 120.400 -0.025 0.000 2.418 228 K HA 0.061 4.382 4.320 0.000 0.000 0.195 228 K C 1.558 178.140 176.600 -0.030 0.000 1.035 228 K CA 0.702 56.974 56.287 -0.024 0.000 1.003 228 K CB 0.183 32.671 32.500 -0.020 0.000 0.793 228 K HN 0.121 nan 8.250 nan 0.000 0.494 229 A N 0.922 123.720 122.820 -0.037 0.000 1.924 229 A HA -0.044 4.276 4.320 0.000 0.000 0.211 229 A C 1.928 179.481 177.584 -0.052 0.000 1.198 229 A CA 0.778 52.786 52.037 -0.047 0.000 0.657 229 A CB -0.321 18.645 19.000 -0.057 0.000 0.852 229 A HN 0.490 nan 8.150 nan 0.000 0.454 230 E N 0.413 120.584 120.200 -0.049 0.000 2.051 230 E HA -0.141 4.209 4.350 0.000 0.000 0.192 230 E C 1.932 178.507 176.600 -0.042 0.000 0.991 230 E CA 1.182 57.552 56.400 -0.049 0.000 0.799 230 E CB -0.270 29.403 29.700 -0.046 0.000 0.748 230 E HN 0.481 nan 8.360 nan 0.000 0.449 231 A N 0.550 123.349 122.820 -0.034 0.000 2.178 231 A HA -0.096 4.224 4.320 0.000 0.000 0.218 231 A C 1.769 179.335 177.584 -0.029 0.000 1.157 231 A CA 0.957 52.977 52.037 -0.029 0.000 0.689 231 A CB -0.273 18.713 19.000 -0.024 0.000 0.787 231 A HN 0.164 nan 8.150 nan 0.000 0.465 232 R N -1.699 118.780 120.500 -0.034 0.000 2.546 232 R HA 0.292 4.632 4.340 0.000 0.000 0.320 232 R C 1.114 177.390 176.300 -0.041 0.000 1.021 232 R CA 0.457 56.537 56.100 -0.034 0.000 1.088 232 R CB 0.165 30.445 30.300 -0.033 0.000 1.278 232 R HN 0.551 nan 8.270 nan 0.000 0.557 233 G N 1.190 109.962 108.800 -0.046 0.000 2.168 233 G HA2 -0.318 3.642 3.960 0.000 0.000 0.263 233 G HA3 -0.318 3.642 3.960 0.000 0.000 0.263 233 G C -0.142 174.714 174.900 -0.073 0.000 0.977 233 G CA 0.412 45.480 45.100 -0.053 0.000 0.659 233 G HN 0.423 nan 8.290 nan 0.000 0.533 234 E N -0.444 119.709 120.200 -0.079 0.000 2.235 234 E HA 0.765 5.116 4.350 0.000 0.000 0.265 234 E C -0.040 176.492 176.600 -0.113 0.000 0.940 234 E CA -1.075 55.259 56.400 -0.109 0.000 0.819 234 E CB 1.296 30.934 29.700 -0.103 0.000 1.206 234 E HN 0.081 nan 8.360 nan 0.000 0.409 235 R N 0.855 121.265 120.500 -0.149 0.000 2.628 235 R HA 0.415 4.755 4.340 0.000 0.000 0.288 235 R C -1.145 175.062 176.300 -0.156 0.000 0.980 235 R CA -0.859 55.158 56.100 -0.137 0.000 0.891 235 R CB 1.924 32.138 30.300 -0.143 0.000 1.188 235 R HN 0.303 nan 8.270 nan 0.000 0.450 236 V N 4.402 124.248 119.914 -0.114 0.000 2.465 236 V HA 0.532 4.652 4.120 0.000 0.000 0.279 236 V C 0.342 176.380 176.094 -0.094 0.000 1.045 236 V CA -0.521 61.717 62.300 -0.102 0.000 0.938 236 V CB 1.249 33.035 31.823 -0.061 0.000 0.986 236 V HN 0.483 nan 8.190 nan 0.000 0.467 237 R N 2.934 123.373 120.500 -0.100 0.000 2.707 237 R HA 0.456 4.797 4.340 0.000 0.000 0.272 237 R C -1.419 174.861 176.300 -0.033 0.000 1.011 237 R CA -1.041 55.017 56.100 -0.071 0.000 0.893 237 R CB 2.266 32.502 30.300 -0.105 0.000 1.233 237 R HN 0.567 nan 8.270 nan 0.000 0.464 238 L N 2.474 123.700 121.223 0.004 0.000 2.342 238 L HA 0.269 4.609 4.340 0.000 0.000 0.285 238 L C -0.861 176.043 176.870 0.057 0.000 1.095 238 L CA -0.039 54.823 54.840 0.037 0.000 0.843 238 L CB 0.722 42.810 42.059 0.049 0.000 1.201 238 L HN 0.272 nan 8.230 nan 0.000 0.445 239 V N 5.048 125.013 119.914 0.084 0.000 2.435 239 V HA 0.727 4.847 4.120 0.000 0.000 0.290 239 V C 0.367 176.580 176.094 0.198 0.000 1.030 239 V CA -0.555 61.833 62.300 0.147 0.000 0.881 239 V CB 1.362 33.293 31.823 0.179 0.000 0.983 239 V HN 0.891 nan 8.190 nan 0.000 0.445 240 A N 3.730 126.674 122.820 0.207 0.000 2.260 240 A HA 0.772 5.092 4.320 0.000 0.000 0.314 240 A C 0.076 177.810 177.584 0.250 0.000 1.257 240 A CA -0.295 51.855 52.037 0.187 0.000 0.871 240 A CB 0.563 19.639 19.000 0.126 0.000 1.166 240 A HN 0.750 nan 8.150 nan 0.000 0.522 241 S N 1.169 117.037 115.700 0.279 0.000 2.536 241 S HA 0.684 5.154 4.470 0.000 0.000 0.298 241 S C -1.047 173.632 174.600 0.131 0.000 1.083 241 S CA -0.476 57.913 58.200 0.316 0.000 0.995 241 S CB 1.514 65.130 63.200 0.693 0.000 1.058 241 S HN 0.760 nan 8.310 nan 0.000 0.488 242 L N 4.308 125.547 121.223 0.027 0.000 2.372 242 L HA 0.787 5.127 4.340 0.000 0.000 0.273 242 L C -1.545 175.438 176.870 0.189 0.000 0.989 242 L CA -0.412 54.382 54.840 -0.077 0.000 0.841 242 L CB 0.271 42.179 42.059 -0.251 0.000 1.225 242 L HN 0.679 nan 8.230 nan 0.000 0.414 243 F N 1.902 122.024 119.950 0.286 0.000 2.668 243 F HA 0.906 5.433 4.527 0.000 0.000 0.309 243 F C 0.151 176.048 175.800 0.162 0.000 1.117 243 F CA -1.013 57.163 58.000 0.292 0.000 0.951 243 F CB 0.869 39.941 39.000 0.120 0.000 1.323 243 F HN 0.567 nan 8.300 nan 0.000 0.451 244 G N 0.394 109.242 108.800 0.080 0.000 2.415 244 G HA2 0.493 4.453 3.960 0.000 0.000 0.269 244 G HA3 0.493 4.453 3.960 0.000 0.000 0.269 244 G C -1.513 173.418 174.900 0.051 0.000 1.209 244 G CA -0.353 44.613 45.100 -0.224 0.000 0.835 244 G HN 0.888 nan 8.290 nan 0.000 0.534 245 E N 0.785 120.969 120.200 -0.026 0.000 2.313 245 E HA 0.445 4.795 4.350 0.000 0.000 0.280 245 E C 0.310 176.900 176.600 -0.016 0.000 0.898 245 E CA -0.214 56.215 56.400 0.049 0.000 0.803 245 E CB 0.849 30.637 29.700 0.146 0.000 1.286 245 E HN 1.160 nan 8.360 nan 0.000 0.401 246 G N 2.846 111.634 108.800 -0.020 0.000 2.295 246 G HA2 -0.216 3.744 3.960 0.000 0.000 0.287 246 G HA3 -0.216 3.744 3.960 0.000 0.000 0.287 246 G C 0.893 175.759 174.900 -0.056 0.000 1.055 246 G CA 0.657 45.740 45.100 -0.029 0.000 0.922 246 G HN 1.441 nan 8.290 nan 0.000 0.503 247 G N -1.671 107.072 108.800 -0.094 0.000 2.175 247 G HA2 -0.301 3.659 3.960 0.000 0.000 0.265 247 G HA3 -0.301 3.659 3.960 0.000 0.000 0.265 247 G C 0.455 175.259 174.900 -0.160 0.000 0.979 247 G CA 1.306 46.331 45.100 -0.124 0.000 0.663 247 G HN 1.101 nan 8.290 nan 0.000 0.533 248 R N -1.673 118.732 120.500 -0.160 0.000 2.807 248 R HA 0.480 4.820 4.340 0.000 0.000 0.276 248 R C -0.757 175.442 176.300 -0.167 0.000 0.979 248 R CA -0.973 55.051 56.100 -0.126 0.000 0.928 248 R CB 1.139 31.431 30.300 -0.013 0.000 1.191 248 R HN 0.156 nan 8.270 nan 0.000 0.471 249 W N 1.666 122.991 121.300 0.043 0.000 2.266 249 W HA 0.247 4.907 4.660 0.000 0.000 0.317 249 W C 0.744 177.263 176.519 -0.001 0.000 1.310 249 W CA -0.031 57.319 57.345 0.009 0.000 1.207 249 W CB 0.660 30.151 29.460 0.050 0.000 1.199 249 W HN 0.231 nan 8.180 nan 0.000 0.544 250 R N 2.737 123.262 120.500 0.042 0.000 2.562 250 R HA 0.783 5.123 4.340 0.000 0.000 0.298 250 R C -1.235 174.876 176.300 -0.314 0.000 0.961 250 R CA -0.566 55.418 56.100 -0.192 0.000 0.881 250 R CB 1.290 31.267 30.300 -0.538 0.000 1.159 250 R HN 0.480 nan 8.270 nan 0.000 0.450 251 A N 2.678 125.459 122.820 -0.065 0.000 2.343 251 A HA 0.873 5.193 4.320 0.000 0.000 0.316 251 A C -1.302 176.287 177.584 0.007 0.000 1.104 251 A CA -0.299 51.698 52.037 -0.066 0.000 0.768 251 A CB 1.604 20.611 19.000 0.012 0.000 1.213 251 A HN 0.908 nan 8.150 nan 0.000 0.456 252 A N 1.530 124.384 122.820 0.056 0.000 2.547 252 A HA 0.705 5.025 4.320 0.000 0.000 0.297 252 A C -1.417 176.259 177.584 0.154 0.000 1.056 252 A CA -0.421 51.689 52.037 0.122 0.000 0.688 252 A CB 1.484 20.599 19.000 0.190 0.000 1.282 252 A HN 1.300 nan 8.150 nan 0.000 0.400 253 V N 0.955 120.942 119.914 0.122 0.000 2.487 253 V HA 0.871 4.991 4.120 0.000 0.000 0.298 253 V C 0.204 176.362 176.094 0.107 0.000 1.028 253 V CA 0.428 62.799 62.300 0.118 0.000 0.860 253 V CB 1.096 32.972 31.823 0.090 0.000 0.991 253 V HN 1.898 nan 8.190 nan 0.000 0.427 254 A N 6.316 129.204 122.820 0.115 0.000 2.597 254 A HA 0.845 5.165 4.320 0.000 0.000 0.292 254 A C -3.328 174.303 177.584 0.079 0.000 1.057 254 A CA -1.278 50.814 52.037 0.091 0.000 0.674 254 A CB 1.808 20.867 19.000 0.098 0.000 1.278 254 A HN 0.553 nan 8.150 nan 0.000 0.416 255 P HA 0.367 nan 4.420 nan 0.000 0.268 255 P C -0.797 176.518 177.300 0.024 0.000 1.204 255 P CA 0.157 63.275 63.100 0.030 0.000 0.768 255 P CB 0.399 32.112 31.700 0.022 0.000 0.842 256 R N 2.777 123.270 120.500 -0.011 0.000 2.744 256 R HA 0.416 4.757 4.340 0.000 0.000 0.279 256 R C -0.146 176.079 176.300 -0.124 0.000 0.977 256 R CA -0.870 55.211 56.100 -0.032 0.000 0.906 256 R CB 1.974 32.271 30.300 -0.006 0.000 1.197 256 R HN 0.449 nan 8.270 nan 0.000 0.463 257 R N 2.403 122.829 120.500 -0.124 0.000 2.196 257 R HA 0.406 4.747 4.340 0.000 0.000 0.340 257 R C -0.235 175.859 176.300 -0.343 0.000 1.043 257 R CA -0.377 55.618 56.100 -0.175 0.000 0.883 257 R CB 0.527 30.767 30.300 -0.099 0.000 1.078 257 R HN 0.314 nan 8.270 nan 0.000 0.462 258 L N 4.948 125.896 121.223 -0.458 0.000 2.325 258 L HA 0.464 4.804 4.340 0.000 0.000 0.278 258 L C -2.159 174.454 176.870 -0.429 0.000 1.023 258 L CA -2.573 51.834 54.840 -0.722 0.000 0.811 258 L CB 1.661 43.209 42.059 -0.853 0.000 1.249 258 L HN 0.232 nan 8.230 nan 0.000 0.431 259 P HA -0.013 nan 4.420 nan 0.000 0.265 259 P C -0.048 177.149 177.300 -0.172 0.000 1.193 259 P CA -0.223 62.765 63.100 -0.186 0.000 0.765 259 P CB 0.486 32.124 31.700 -0.104 0.000 0.823 260 Q N 1.807 121.530 119.800 -0.128 0.000 2.368 260 Q HA -0.204 4.136 4.340 0.000 0.000 0.210 260 Q C 0.447 176.387 176.000 -0.099 0.000 0.982 260 Q CA 1.462 57.197 55.803 -0.113 0.000 0.884 260 Q CB -0.443 28.243 28.738 -0.086 0.000 0.933 260 Q HN 0.447 nan 8.270 nan 0.000 0.460 261 D N 0.156 120.502 120.400 -0.089 0.000 2.289 261 D HA -0.069 4.572 4.640 0.000 0.000 0.207 261 D C 0.337 176.561 176.300 -0.126 0.000 0.966 261 D CA 0.323 54.269 54.000 -0.090 0.000 0.868 261 D CB -0.079 40.679 40.800 -0.070 0.000 0.943 261 D HN 0.327 nan 8.370 nan 0.000 0.514 262 H N 1.555 120.487 119.070 -0.230 0.000 2.928 262 H HA -0.015 4.542 4.556 0.000 0.000 0.338 262 H C -1.549 173.568 175.328 -0.352 0.000 1.047 262 H CA -0.933 54.925 56.048 -0.317 0.000 1.435 262 H CB 1.721 31.211 29.762 -0.454 0.000 1.428 262 H HN -0.183 nan 8.280 nan 0.000 0.590 263 P HA -0.183 nan 4.420 nan 0.000 0.217 263 P C 1.753 178.851 177.300 -0.337 0.000 1.151 263 P CA 1.297 64.020 63.100 -0.628 0.000 0.849 263 P CB 0.199 31.229 31.700 -1.117 0.000 0.787 264 L N -1.494 119.723 121.223 -0.009 0.000 2.093 264 L HA -0.128 4.212 4.340 0.000 0.000 0.208 264 L C 2.399 179.242 176.870 -0.044 0.000 1.085 264 L CA 1.452 56.321 54.840 0.050 0.000 0.755 264 L CB -1.051 40.949 42.059 -0.098 0.000 0.904 264 L HN -0.049 nan 8.230 nan 0.000 0.435 265 A N -0.057 122.686 122.820 -0.128 0.000 2.066 265 A HA -0.112 4.208 4.320 0.000 0.000 0.218 265 A C 2.293 179.829 177.584 -0.081 0.000 1.157 265 A CA 1.046 52.999 52.037 -0.140 0.000 0.670 265 A CB -0.295 18.593 19.000 -0.187 0.000 0.804 265 A HN 0.367 nan 8.150 nan 0.000 0.453 266 R N -0.549 119.914 120.500 -0.061 0.000 2.237 266 R HA 0.304 4.644 4.340 0.000 0.000 0.195 266 R C 0.858 177.173 176.300 0.025 0.000 0.956 266 R CA 0.417 56.497 56.100 -0.033 0.000 1.029 266 R CB -0.141 30.126 30.300 -0.055 0.000 0.972 266 R HN 0.385 nan 8.270 nan 0.000 0.493 267 A N 1.605 124.480 122.820 0.093 0.000 2.511 267 A HA 0.046 4.366 4.320 0.000 0.000 0.242 267 A C 0.847 178.471 177.584 0.068 0.000 1.069 267 A CA -0.026 52.103 52.037 0.154 0.000 0.763 267 A CB 0.365 19.546 19.000 0.302 0.000 1.001 267 A HN 0.239 nan 8.150 nan 0.000 0.498 268 R N 1.916 122.444 120.500 0.048 0.000 2.119 268 R HA -0.001 4.339 4.340 0.000 0.000 0.222 268 R C 1.198 177.498 176.300 -0.001 0.000 1.088 268 R CA 0.990 57.097 56.100 0.011 0.000 0.984 268 R CB 0.153 30.457 30.300 0.006 0.000 0.884 268 R HN 0.815 nan 8.270 nan 0.000 0.447 269 G N -0.047 108.757 108.800 0.007 0.000 2.753 269 G HA2 0.220 4.180 3.960 0.000 0.000 0.285 269 G HA3 0.220 4.180 3.960 0.000 0.000 0.285 269 G C -0.744 174.155 174.900 -0.002 0.000 1.344 269 G CA -0.715 44.378 45.100 -0.012 0.000 1.050 269 G HN 0.090 nan 8.290 nan 0.000 0.532 270 N N -0.637 118.053 118.700 -0.016 0.000 2.371 270 N HA 0.504 5.244 4.740 0.000 0.000 0.243 270 N C 0.002 175.489 175.510 -0.038 0.000 1.287 270 N CA 0.896 53.941 53.050 -0.009 0.000 0.911 270 N CB 1.149 39.629 38.487 -0.012 0.000 1.142 270 N HN 0.784 nan 8.380 nan 0.000 0.451 271 A N 0.232 123.046 122.820 -0.011 0.000 2.594 271 A HA 0.657 4.977 4.320 0.000 0.000 0.295 271 A C -1.995 175.590 177.584 0.001 0.000 1.071 271 A CA -0.517 51.475 52.037 -0.074 0.000 0.685 271 A CB 1.091 20.157 19.000 0.110 0.000 1.285 271 A HN 0.466 nan 8.150 nan 0.000 0.405 272 L N 0.747 121.882 121.223 -0.147 0.000 2.376 272 L HA 0.823 5.163 4.340 0.000 0.000 0.275 272 L C -1.537 175.451 176.870 0.198 0.000 0.987 272 L CA -0.299 54.533 54.840 -0.013 0.000 0.828 272 L CB 1.338 43.256 42.059 -0.235 0.000 1.249 272 L HN 0.789 nan 8.230 nan 0.000 0.409 273 W N 6.314 127.802 121.300 0.314 0.000 2.656 273 W HA 0.784 5.444 4.660 0.000 0.000 0.327 273 W C -1.632 175.125 176.519 0.398 0.000 1.041 273 W CA -0.489 57.155 57.345 0.498 0.000 1.229 273 W CB 1.737 31.564 29.460 0.612 0.000 1.397 273 W HN 0.392 nan 8.180 nan 0.000 0.479 274 V N 6.021 125.776 119.914 -0.265 0.000 2.971 274 V HA 0.581 4.701 4.120 0.000 0.000 0.309 274 V C -0.650 175.066 176.094 -0.630 0.000 1.130 274 V CA -1.290 60.832 62.300 -0.298 0.000 0.964 274 V CB 2.346 34.174 31.823 0.008 0.000 1.029 274 V HN 0.496 nan 8.190 nan 0.000 0.427 275 R N 1.656 121.910 120.500 -0.410 0.000 2.480 275 R HA 0.867 5.207 4.340 0.000 0.000 0.306 275 R C -0.809 175.429 176.300 -0.103 0.000 0.958 275 R CA -0.412 55.524 56.100 -0.274 0.000 0.861 275 R CB 2.139 32.344 30.300 -0.157 0.000 1.171 275 R HN 0.920 nan 8.270 nan 0.000 0.445 276 A N 2.698 125.468 122.820 -0.083 0.000 2.587 276 A HA 0.564 4.884 4.320 0.000 0.000 0.293 276 A C -1.276 176.292 177.584 -0.027 0.000 1.087 276 A CA -0.792 51.221 52.037 -0.040 0.000 0.692 276 A CB 1.925 20.886 19.000 -0.066 0.000 1.291 276 A HN 0.663 nan 8.150 nan 0.000 0.407 277 R N 1.941 122.438 120.500 -0.006 0.000 2.338 277 R HA 0.524 4.864 4.340 0.000 0.000 0.317 277 R C -2.307 173.987 176.300 -0.010 0.000 0.968 277 R CA -1.788 54.310 56.100 -0.003 0.000 0.849 277 R CB 1.501 31.807 30.300 0.010 0.000 1.128 277 R HN 0.517 nan 8.270 nan 0.000 0.448 278 P HA 0.000 nan 4.420 nan 0.000 0.268 278 P C 0.956 178.243 177.300 -0.021 0.000 1.329 278 P CA -0.061 63.031 63.100 -0.013 0.000 0.899 278 P CB 0.324 32.019 31.700 -0.009 0.000 1.378 279 L N 0.595 121.796 121.223 -0.036 0.000 1.990 279 L HA 0.047 4.387 4.340 0.000 0.000 0.213 279 L C 1.275 178.123 176.870 -0.037 0.000 1.072 279 L CA 2.900 57.713 54.840 -0.045 0.000 0.755 279 L CB -1.215 40.799 42.059 -0.075 0.000 0.889 279 L HN 0.351 nan 8.230 nan 0.000 0.432 280 G N -1.273 107.501 108.800 -0.044 0.000 2.395 280 G HA2 -0.188 3.772 3.960 0.000 0.000 0.201 280 G HA3 -0.188 3.772 3.960 0.000 0.000 0.201 280 G C -0.674 174.178 174.900 -0.080 0.000 1.206 280 G CA 0.007 45.086 45.100 -0.036 0.000 1.210 280 G HN 0.560 nan 8.290 nan 0.000 0.557 281 E N 0.748 120.906 120.200 -0.071 0.000 2.133 281 E HA 0.653 5.003 4.350 0.000 0.000 0.274 281 E C -0.040 176.507 176.600 -0.088 0.000 0.930 281 E CA -0.170 56.133 56.400 -0.161 0.000 0.770 281 E CB 1.106 30.775 29.700 -0.051 0.000 1.104 281 E HN 1.270 nan 8.360 nan 0.000 0.403 282 A N 4.216 126.968 122.820 -0.114 0.000 2.423 282 A HA 0.792 5.112 4.320 0.000 0.000 0.304 282 A C -1.648 176.133 177.584 0.329 0.000 1.104 282 A CA -0.683 51.435 52.037 0.135 0.000 0.757 282 A CB 1.080 20.146 19.000 0.110 0.000 1.313 282 A HN 0.637 nan 8.150 nan 0.000 0.423 283 F N 0.691 120.789 119.950 0.247 0.000 2.628 283 F HA 0.641 5.168 4.527 0.000 0.000 0.309 283 F C -1.458 174.318 175.800 -0.040 0.000 1.108 283 F CA -0.707 57.376 58.000 0.138 0.000 0.971 283 F CB 1.867 41.013 39.000 0.244 0.000 1.279 283 F HN 0.699 nan 8.300 nan 0.000 0.441 284 V N 4.349 123.615 119.914 -1.080 0.000 2.888 284 V HA 0.837 4.957 4.120 0.000 0.000 0.309 284 V C -1.483 174.007 176.094 -1.006 0.000 1.114 284 V CA 0.076 61.815 62.300 -0.935 0.000 0.940 284 V CB 2.176 33.429 31.823 -0.949 0.000 1.021 284 V HN 1.075 nan 8.190 nan 0.000 0.426 285 T N 3.446 117.618 114.554 -0.637 0.000 2.894 285 T HA 0.929 5.279 4.350 0.000 0.000 0.309 285 T C -0.412 174.170 174.700 -0.196 0.000 1.208 285 T CA 0.332 62.185 62.100 -0.411 0.000 1.016 285 T CB 1.524 70.200 68.868 -0.321 0.000 1.192 285 T HN 1.844 nan 8.240 nan 0.000 0.491 286 G N 2.456 111.182 108.800 -0.124 0.000 2.321 286 G HA2 0.502 4.462 3.960 0.000 0.000 0.296 286 G HA3 0.502 4.462 3.960 0.000 0.000 0.296 286 G C -3.372 171.502 174.900 -0.045 0.000 1.287 286 G CA -0.774 44.285 45.100 -0.067 0.000 0.846 286 G HN 0.663 nan 8.290 nan 0.000 0.508 287 P HA 0.257 nan 4.420 nan 0.000 0.266 287 P C 0.757 178.051 177.300 -0.010 0.000 1.195 287 P CA 0.786 63.879 63.100 -0.011 0.000 0.768 287 P CB 1.018 32.724 31.700 0.009 0.000 0.838 288 G N 1.069 109.866 108.800 -0.005 0.000 3.159 288 G HA2 0.499 4.459 3.960 0.000 0.000 0.232 288 G HA3 0.499 4.459 3.960 0.000 0.000 0.232 288 G C 0.149 175.061 174.900 0.020 0.000 1.116 288 G CA 0.531 45.632 45.100 0.002 0.000 0.767 288 G HN 0.766 nan 8.290 nan 0.000 0.547 289 A N -1.672 121.167 122.820 0.031 0.000 2.467 289 A HA 0.881 5.201 4.320 0.000 0.000 0.301 289 A C -0.072 177.549 177.584 0.061 0.000 1.126 289 A CA 0.126 52.191 52.037 0.046 0.000 0.632 289 A CB 0.557 19.589 19.000 0.054 0.000 1.331 289 A HN 1.932 nan 8.150 nan 0.000 0.482 290 G N -2.110 106.728 108.800 0.062 0.000 2.640 290 G HA2 0.466 4.426 3.960 0.000 0.000 0.686 290 G HA3 0.466 4.426 3.960 0.000 0.000 0.686 290 G C 0.836 175.767 174.900 0.052 0.000 1.229 290 G CA 0.558 45.696 45.100 0.063 0.000 0.796 290 G HN 2.150 nan 8.290 nan 0.000 0.654 291 G N 0.264 109.090 108.800 0.042 0.000 2.480 291 G HA2 0.198 4.158 3.960 0.000 0.000 0.216 291 G HA3 0.198 4.158 3.960 0.000 0.000 0.216 291 G C 1.980 176.918 174.900 0.063 0.000 1.200 291 G CA 2.193 47.322 45.100 0.048 0.000 0.782 291 G HN 1.921 nan 8.290 nan 0.000 0.554 292 G N 1.060 109.891 108.800 0.053 0.000 2.421 292 G HA2 0.039 3.999 3.960 0.000 0.000 0.216 292 G HA3 0.039 3.999 3.960 0.000 0.000 0.216 292 G C 2.109 177.051 174.900 0.069 0.000 1.171 292 G CA 1.681 46.813 45.100 0.055 0.000 0.775 292 G HN 0.701 nan 8.290 nan 0.000 0.543 293 A N 0.195 123.052 122.820 0.063 0.000 1.908 293 A HA -0.054 4.266 4.320 0.000 0.000 0.218 293 A C 2.529 180.157 177.584 0.074 0.000 1.181 293 A CA 2.588 54.662 52.037 0.062 0.000 0.627 293 A CB -0.920 18.111 19.000 0.050 0.000 0.818 293 A HN 0.323 nan 8.150 nan 0.000 0.445 294 T N -0.034 114.565 114.554 0.075 0.000 2.857 294 T HA 0.113 4.463 4.350 0.000 0.000 0.266 294 T C 2.214 176.985 174.700 0.119 0.000 1.048 294 T CA 1.235 63.382 62.100 0.078 0.000 1.139 294 T CB -0.369 68.536 68.868 0.061 0.000 0.874 294 T HN 0.585 nan 8.240 nan 0.000 0.455 295 A N 1.119 124.030 122.820 0.152 0.000 1.972 295 A HA -0.075 4.245 4.320 0.000 0.000 0.219 295 A C 2.532 180.292 177.584 0.293 0.000 1.169 295 A CA 1.921 54.113 52.037 0.259 0.000 0.635 295 A CB -0.933 18.203 19.000 0.227 0.000 0.810 295 A HN 0.438 nan 8.150 nan 0.000 0.446 296 S N -0.588 115.230 115.700 0.198 0.000 2.382 296 S HA -0.038 4.432 4.470 0.000 0.000 0.228 296 S C 2.001 176.737 174.600 0.228 0.000 1.027 296 S CA 1.732 60.058 58.200 0.210 0.000 0.991 296 S CB -0.574 62.708 63.200 0.136 0.000 0.823 296 S HN 0.681 nan 8.310 nan 0.000 0.469 297 G N 1.263 110.164 108.800 0.169 0.000 2.402 297 G HA2 -0.041 3.920 3.960 0.000 0.000 0.216 297 G HA3 -0.041 3.920 3.960 0.000 0.000 0.216 297 G C 1.413 176.409 174.900 0.161 0.000 1.162 297 G CA 0.684 45.866 45.100 0.137 0.000 0.777 297 G HN 0.509 nan 8.290 nan 0.000 0.539 298 L N -0.891 120.439 121.223 0.178 0.000 2.056 298 L HA 0.044 4.384 4.340 0.000 0.000 0.207 298 L C 2.533 179.596 176.870 0.322 0.000 1.078 298 L CA 0.815 55.729 54.840 0.123 0.000 0.749 298 L CB -0.379 41.618 42.059 -0.104 0.000 0.901 298 L HN 0.195 nan 8.230 nan 0.000 0.433 299 F N 0.672 120.836 119.950 0.357 0.000 2.325 299 F HA -0.090 4.437 4.527 0.000 0.000 0.299 299 F C 2.361 178.262 175.800 0.169 0.000 1.090 299 F CA 0.755 58.952 58.000 0.327 0.000 1.392 299 F CB -0.217 38.908 39.000 0.209 0.000 1.053 299 F HN -0.020 nan 8.300 nan 0.000 0.521 300 A N -0.283 122.627 122.820 0.150 0.000 1.930 300 A HA -0.168 4.152 4.320 0.000 0.000 0.217 300 A C 2.003 179.590 177.584 0.005 0.000 1.175 300 A CA 1.913 53.979 52.037 0.048 0.000 0.627 300 A CB -0.829 18.242 19.000 0.119 0.000 0.815 300 A HN 0.341 nan 8.150 nan 0.000 0.443 301 D N -0.423 120.018 120.400 0.068 0.000 2.178 301 D HA -0.092 4.548 4.640 0.000 0.000 0.202 301 D C 1.896 178.126 176.300 -0.118 0.000 0.974 301 D CA 0.912 54.967 54.000 0.093 0.000 0.841 301 D CB -0.247 40.675 40.800 0.203 0.000 0.953 301 D HN 0.469 nan 8.370 nan 0.000 0.478 302 L N 0.232 121.358 121.223 -0.163 0.000 2.046 302 L HA -0.127 4.213 4.340 0.000 0.000 0.208 302 L C 2.183 178.871 176.870 -0.304 0.000 1.077 302 L CA 1.012 55.711 54.840 -0.235 0.000 0.747 302 L CB -0.111 41.854 42.059 -0.158 0.000 0.896 302 L HN -0.008 nan 8.230 nan 0.000 0.432 303 L N -0.377 120.586 121.223 -0.433 0.000 2.093 303 L HA -0.193 4.147 4.340 0.000 0.000 0.208 303 L C 2.818 179.500 176.870 -0.313 0.000 1.085 303 L CA 1.269 55.828 54.840 -0.468 0.000 0.755 303 L CB -0.531 41.305 42.059 -0.371 0.000 0.904 303 L HN 0.338 nan 8.230 nan 0.000 0.435 304 R N 0.201 120.617 120.500 -0.139 0.000 2.081 304 R HA -0.242 4.098 4.340 0.000 0.000 0.235 304 R C 2.410 178.703 176.300 -0.013 0.000 1.131 304 R CA 1.828 57.919 56.100 -0.016 0.000 0.960 304 R CB -0.427 29.946 30.300 0.121 0.000 0.856 304 R HN 0.265 nan 8.270 nan 0.000 0.436 305 F N 1.113 120.920 119.950 -0.240 0.000 2.134 305 F HA -0.125 4.402 4.527 0.000 0.000 0.299 305 F C 1.655 177.307 175.800 -0.247 0.000 1.097 305 F CA 1.411 59.246 58.000 -0.275 0.000 1.264 305 F CB -0.141 38.493 39.000 -0.610 0.000 1.001 305 F HN -0.005 nan 8.300 nan 0.000 0.479 306 L N 0.361 121.286 121.223 -0.497 0.000 2.362 306 L HA -0.151 4.189 4.340 0.000 0.000 0.219 306 L C 2.461 178.991 176.870 -0.567 0.000 1.134 306 L CA 1.184 55.601 54.840 -0.705 0.000 0.807 306 L CB -0.829 40.630 42.059 -0.999 0.000 0.927 306 L HN 0.383 nan 8.230 nan 0.000 0.447 307 S N -1.060 114.410 115.700 -0.383 0.000 2.562 307 S HA 0.119 4.589 4.470 0.000 0.000 0.221 307 S C 1.535 176.084 174.600 -0.086 0.000 0.975 307 S CA 0.469 58.624 58.200 -0.074 0.000 0.918 307 S CB 0.467 63.670 63.200 0.005 0.000 0.772 307 S HN 0.522 nan 8.310 nan 0.000 0.531 308 G N 0.400 109.079 108.800 -0.203 0.000 2.176 308 G HA2 -0.040 3.921 3.960 0.000 0.000 0.232 308 G HA3 -0.040 3.921 3.960 0.000 0.000 0.232 308 G C 0.169 175.017 174.900 -0.086 0.000 0.986 308 G CA -0.161 44.841 45.100 -0.162 0.000 0.643 308 G HN 1.252 nan 8.290 nan 0.000 0.522 309 A N 1.404 124.196 122.820 -0.047 0.000 2.331 309 A HA 0.780 5.100 4.320 0.000 0.000 0.283 309 A C -0.946 176.675 177.584 0.062 0.000 1.142 309 A CA -0.771 51.265 52.037 -0.001 0.000 0.812 309 A CB 0.783 19.785 19.000 0.002 0.000 1.074 309 A HN 0.250 nan 8.150 nan 0.000 0.497 310 P HA 0.243 nan 4.420 nan 0.000 0.275 310 P C 0.639 177.693 177.300 -0.410 0.000 1.266 310 P CA 0.039 63.096 63.100 -0.072 0.000 0.793 310 P CB 0.489 32.142 31.700 -0.079 0.000 1.074 311 G N -0.648 107.669 108.800 -0.805 0.000 2.525 311 G HA2 0.111 4.071 3.960 0.000 0.000 0.276 311 G HA3 0.111 4.071 3.960 0.000 0.000 0.276 311 G C -0.694 173.810 174.900 -0.661 0.000 1.388 311 G CA -0.409 43.870 45.100 -1.368 0.000 1.050 311 G HN 0.560 nan 8.290 nan 0.000 0.520 312 H N -0.628 118.278 119.070 -0.274 0.000 2.944 312 H HA 0.324 4.880 4.556 0.000 0.000 0.278 312 H C 0.241 175.582 175.328 0.022 0.000 1.083 312 H CA -0.144 55.839 56.048 -0.108 0.000 1.479 312 H CB 0.449 30.098 29.762 -0.188 0.000 1.486 312 H HN 0.112 nan 8.280 nan 0.000 0.493 313 L N 6.074 127.336 121.223 0.066 0.000 2.350 313 L HA 0.343 4.683 4.340 0.000 0.000 0.275 313 L C -1.929 175.027 176.870 0.144 0.000 1.099 313 L CA -2.128 52.767 54.840 0.092 0.000 0.808 313 L CB 0.730 42.804 42.059 0.026 0.000 1.149 313 L HN 0.442 nan 8.230 nan 0.000 0.442 314 P HA 0.116 nan 4.420 nan 0.000 0.274 314 P C -0.709 176.662 177.300 0.117 0.000 1.246 314 P CA -0.464 62.767 63.100 0.218 0.000 0.795 314 P CB 0.546 32.451 31.700 0.341 0.000 1.006 315 A N 3.148 126.021 122.820 0.088 0.000 2.561 315 A HA 0.111 4.431 4.320 0.000 0.000 0.234 315 A C -1.038 176.581 177.584 0.057 0.000 1.055 315 A CA -0.389 51.676 52.037 0.047 0.000 0.756 315 A CB -1.009 18.005 19.000 0.024 0.000 0.986 315 A HN 0.487 nan 8.150 nan 0.000 0.505 316 P HA -0.064 nan 4.420 nan 0.000 0.223 316 P C 0.167 177.491 177.300 0.040 0.000 1.151 316 P CA 1.177 64.297 63.100 0.034 0.000 0.787 316 P CB 0.069 31.782 31.700 0.021 0.000 0.788 317 R N -1.696 118.833 120.500 0.048 0.000 2.663 317 R HA 0.696 5.036 4.340 0.000 0.000 0.267 317 R C -1.437 174.908 176.300 0.074 0.000 1.038 317 R CA -0.983 55.151 56.100 0.056 0.000 0.886 317 R CB 0.809 31.137 30.300 0.047 0.000 1.249 317 R HN -0.191 nan 8.270 nan 0.000 0.463 318 A N 2.649 125.523 122.820 0.090 0.000 2.401 318 A HA 0.526 4.846 4.320 0.000 0.000 0.259 318 A C -0.251 177.416 177.584 0.137 0.000 1.103 318 A CA -0.618 51.493 52.037 0.124 0.000 0.789 318 A CB 0.316 19.395 19.000 0.131 0.000 1.035 318 A HN 0.839 nan 8.150 nan 0.000 0.491 319 R N 2.525 123.146 120.500 0.201 0.000 2.725 319 R HA 0.714 5.054 4.340 0.000 0.000 0.277 319 R C -3.204 173.289 176.300 0.321 0.000 0.987 319 R CA -1.799 54.428 56.100 0.213 0.000 0.901 319 R CB 1.761 32.174 30.300 0.189 0.000 1.207 319 R HN 0.475 nan 8.270 nan 0.000 0.463 320 P HA 0.245 nan 4.420 nan 0.000 0.276 320 P C -2.522 174.695 177.300 -0.137 0.000 1.244 320 P CA -1.707 61.387 63.100 -0.009 0.000 0.801 320 P CB 0.629 32.304 31.700 -0.041 0.000 1.006 321 P HA 0.174 nan 4.420 nan 0.000 0.276 321 P C 0.991 178.104 177.300 -0.312 0.000 1.230 321 P CA -0.133 62.487 63.100 -0.801 0.000 0.776 321 P CB 1.064 31.885 31.700 -1.464 0.000 0.888 322 L N 1.182 122.322 121.223 -0.138 0.000 2.275 322 L HA -0.024 4.316 4.340 0.000 0.000 0.215 322 L C 1.395 178.220 176.870 -0.075 0.000 1.119 322 L CA 1.315 56.120 54.840 -0.060 0.000 0.790 322 L CB -0.036 42.028 42.059 0.009 0.000 0.919 322 L HN 0.578 nan 8.230 nan 0.000 0.443 323 E N -0.336 119.799 120.200 -0.108 0.000 2.343 323 E HA 0.181 4.531 4.350 0.000 0.000 0.278 323 E C -1.005 175.538 176.600 -0.094 0.000 0.910 323 E CA -0.685 55.670 56.400 -0.074 0.000 0.757 323 E CB 1.548 31.235 29.700 -0.022 0.000 1.218 323 E HN -0.052 nan 8.360 nan 0.000 0.435 324 E N 1.491 121.653 120.200 -0.062 0.000 2.354 324 E HA 0.359 4.709 4.350 0.000 0.000 0.269 324 E C -0.455 176.148 176.600 0.005 0.000 1.036 324 E CA -0.014 56.368 56.400 -0.029 0.000 0.876 324 E CB 1.393 31.081 29.700 -0.019 0.000 1.009 324 E HN 0.558 nan 8.360 nan 0.000 0.416 325 G N 0.686 109.523 108.800 0.060 0.000 2.482 325 G HA2 0.338 4.299 3.960 0.000 0.000 0.317 325 G HA3 0.338 4.299 3.960 0.000 0.000 0.317 325 G C -0.803 173.975 174.900 -0.203 0.000 1.241 325 G CA -0.608 44.477 45.100 -0.026 0.000 0.967 325 G HN 0.398 nan 8.290 nan 0.000 0.482 326 S N 2.629 118.172 115.700 -0.262 0.000 2.422 326 S HA 0.685 5.155 4.470 0.000 0.000 0.308 326 S C -1.814 172.485 174.600 -0.502 0.000 1.097 326 S CA -1.031 56.976 58.200 -0.320 0.000 1.099 326 S CB 1.733 64.817 63.200 -0.194 0.000 0.976 326 S HN 0.577 nan 8.310 nan 0.000 0.471 327 P HA 0.231 nan 4.420 nan 0.000 0.274 327 P C -0.211 176.864 177.300 -0.375 0.000 1.256 327 P CA -0.690 62.043 63.100 -0.612 0.000 0.795 327 P CB 0.494 31.858 31.700 -0.559 0.000 1.038 328 W N 0.836 121.982 121.300 -0.257 0.000 2.126 328 W HA 0.155 4.816 4.660 0.000 0.000 0.346 328 W C -1.565 174.871 176.519 -0.139 0.000 1.279 328 W CA -1.040 56.177 57.345 -0.214 0.000 1.259 328 W CB -0.839 28.460 29.460 -0.268 0.000 1.133 328 W HN 0.342 nan 8.180 nan 0.000 0.592 329 P HA 0.120 nan 4.420 nan 0.000 0.269 329 P C 0.151 177.482 177.300 0.051 0.000 1.215 329 P CA 0.102 63.238 63.100 0.061 0.000 0.780 329 P CB 1.006 32.729 31.700 0.038 0.000 0.898 330 G N 0.690 109.511 108.800 0.035 0.000 2.574 330 G HA2 0.470 4.430 3.960 0.000 0.000 0.248 330 G HA3 0.470 4.430 3.960 0.000 0.000 0.248 330 G C -0.360 174.546 174.900 0.010 0.000 1.422 330 G CA -0.565 44.552 45.100 0.029 0.000 1.051 330 G HN 0.403 nan 8.290 nan 0.000 0.560 331 V N 0.000 119.920 119.914 0.009 0.000 2.409 331 V HA 0.000 4.120 4.120 0.000 0.000 0.244 331 V CA 0.000 62.300 62.300 0.000 0.000 1.235 331 V CB 0.000 31.823 31.823 -0.000 0.000 1.184 331 V HN 0.000 nan 8.190 nan 0.000 0.556