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 3fzj_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLKLQTLQAL ICIEEVGSLR AAAQLLHLSQ PALSAAIQQL EDELKAPLLV DATA SEQUENCE RTKRGVSLTS FGQAFMKHAR LIVTESRRAQ EEIGQLRGRW EGHITFAASP DATA SEQUENCE AIALAALPLA LASFAREFPD VTVNVRDGMY PAVSPQLRDG TLDFALTAAH DATA SEQUENCE KHDIDTDLEA QPLYVSDVVI VGQRQHPMAN ATRLAELQEC RWAFSSAPRG DATA SEQUENCE PGAIIRNAFA RYGLPEPKLG LVCESFLALP GVVAHSDLLT TMPRTLYERN DATA SEQUENCE AFKDQLCSIP LQDALPNPTI YVLRRHDLPV TPAAAGLIRW IQHHAL 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 0.000 176.312 176.300 0.021 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 L N 2.214 123.451 121.223 0.023 0.000 2.540 2 L HA 0.013 4.353 4.340 0.000 0.000 0.276 2 L C 0.911 177.801 176.870 0.034 0.000 1.212 2 L CA 0.119 54.975 54.840 0.026 0.000 0.893 2 L CB 0.178 42.252 42.059 0.026 0.000 1.138 2 L HN 0.757 nan 8.230 nan 0.000 0.491 3 K N 2.270 122.693 120.400 0.038 0.000 2.103 3 K HA -0.213 4.107 4.320 0.000 0.000 0.207 3 K C 1.748 178.384 176.600 0.060 0.000 1.048 3 K CA 1.144 57.463 56.287 0.054 0.000 0.930 3 K CB -0.092 32.444 32.500 0.060 0.000 0.716 3 K HN 0.439 nan 8.250 nan 0.000 0.444 4 L N 1.575 122.826 121.223 0.046 0.000 2.083 4 L HA -0.190 4.150 4.340 0.000 0.000 0.209 4 L C 2.230 179.126 176.870 0.043 0.000 1.083 4 L CA 1.634 56.499 54.840 0.043 0.000 0.752 4 L CB -0.268 41.810 42.059 0.032 0.000 0.899 4 L HN 0.189 nan 8.230 nan 0.000 0.433 5 Q N -1.538 118.286 119.800 0.040 0.000 2.084 5 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 5 Q C 1.952 177.978 176.000 0.043 0.000 0.978 5 Q CA 2.235 58.061 55.803 0.038 0.000 0.844 5 Q CB -0.080 28.679 28.738 0.034 0.000 0.898 5 Q HN 0.526 nan 8.270 nan 0.000 0.426 6 T N 1.198 115.782 114.554 0.050 0.000 2.746 6 T HA -0.101 4.249 4.350 0.000 0.000 0.267 6 T C 1.817 176.567 174.700 0.083 0.000 1.039 6 T CA 0.843 62.977 62.100 0.058 0.000 1.142 6 T CB -0.144 68.757 68.868 0.056 0.000 0.866 6 T HN 0.195 nan 8.240 nan 0.000 0.444 7 L N 0.646 121.928 121.223 0.098 0.000 2.027 7 L HA -0.127 4.213 4.340 0.000 0.000 0.206 7 L C 2.899 179.815 176.870 0.076 0.000 1.074 7 L CA 1.428 56.338 54.840 0.117 0.000 0.745 7 L CB -0.672 41.444 42.059 0.096 0.000 0.898 7 L HN 0.304 nan 8.230 nan 0.000 0.433 8 Q N -0.118 119.714 119.800 0.053 0.000 2.135 8 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 8 Q C 2.422 178.444 176.000 0.036 0.000 0.981 8 Q CA 1.703 57.528 55.803 0.037 0.000 0.856 8 Q CB -0.271 28.485 28.738 0.030 0.000 0.902 8 Q HN 0.557 nan 8.270 nan 0.000 0.425 9 A N 0.677 123.520 122.820 0.039 0.000 1.902 9 A HA -0.154 4.166 4.320 0.000 0.000 0.217 9 A C 2.046 179.655 177.584 0.041 0.000 1.181 9 A CA 1.034 53.090 52.037 0.032 0.000 0.623 9 A CB -0.631 18.387 19.000 0.030 0.000 0.818 9 A HN 0.296 nan 8.150 nan 0.000 0.443 10 L N -0.503 120.758 121.223 0.063 0.000 2.046 10 L HA -0.189 4.151 4.340 0.000 0.000 0.208 10 L C 2.475 179.386 176.870 0.068 0.000 1.077 10 L CA 1.265 56.153 54.840 0.079 0.000 0.747 10 L CB -0.470 41.671 42.059 0.138 0.000 0.896 10 L HN 0.397 nan 8.230 nan 0.000 0.432 11 I N -1.067 119.538 120.570 0.059 0.000 2.208 11 I HA -0.406 3.764 4.170 0.000 0.000 0.245 11 I C 2.804 178.937 176.117 0.027 0.000 1.097 11 I CA 1.309 62.633 61.300 0.039 0.000 1.363 11 I CB -0.464 37.552 38.000 0.027 0.000 1.051 11 I HN 0.447 nan 8.210 nan 0.000 0.413 12 C N 1.123 120.437 119.300 0.022 0.000 2.440 12 C HA -0.107 4.353 4.460 0.000 0.000 0.278 12 C C 2.744 177.741 174.990 0.012 0.000 1.295 12 C CA 0.577 59.602 59.018 0.011 0.000 1.738 12 C CB -0.893 26.849 27.740 0.004 0.000 1.987 12 C HN 0.392 nan 8.230 nan 0.000 0.492 13 I N 0.689 121.271 120.570 0.020 0.000 2.226 13 I HA -0.201 3.969 4.170 0.000 0.000 0.245 13 I C 2.630 178.760 176.117 0.021 0.000 1.100 13 I CA 2.128 63.441 61.300 0.020 0.000 1.374 13 I CB -0.721 37.295 38.000 0.027 0.000 1.057 13 I HN 0.500 nan 8.210 nan 0.000 0.413 14 E N 1.126 121.343 120.200 0.028 0.000 2.118 14 E HA -0.309 4.041 4.350 0.000 0.000 0.195 14 E C 2.078 178.687 176.600 0.016 0.000 0.992 14 E CA 1.613 58.028 56.400 0.025 0.000 0.804 14 E CB 0.002 29.721 29.700 0.031 0.000 0.741 14 E HN 0.546 nan 8.360 nan 0.000 0.458 15 E N -0.001 120.206 120.200 0.012 0.000 2.051 15 E HA -0.127 4.223 4.350 0.000 0.000 0.189 15 E C 2.056 178.658 176.600 0.004 0.000 0.979 15 E CA 1.449 57.853 56.400 0.007 0.000 0.803 15 E CB 0.263 29.966 29.700 0.004 0.000 0.761 15 E HN 0.288 nan 8.360 nan 0.000 0.451 16 V N -3.154 116.762 119.914 0.004 0.000 3.590 16 V HA 0.429 4.550 4.120 0.000 0.000 0.265 16 V C 1.304 177.399 176.094 0.002 0.000 1.239 16 V CA 0.617 62.917 62.300 0.001 0.000 1.117 16 V CB 0.195 32.015 31.823 -0.004 0.000 0.818 16 V HN 0.366 nan 8.190 nan 0.000 0.451 17 G N 0.255 109.058 108.800 0.006 0.000 2.147 17 G HA2 -0.205 3.755 3.960 0.000 0.000 0.244 17 G HA3 -0.205 3.755 3.960 0.000 0.000 0.244 17 G C 0.166 175.070 174.900 0.007 0.000 1.005 17 G CA 0.619 45.724 45.100 0.007 0.000 0.713 17 G HN 1.589 nan 8.290 nan 0.000 0.515 18 S N -1.425 114.279 115.700 0.006 0.000 2.592 18 S HA 0.532 5.002 4.470 0.000 0.000 0.275 18 S C 0.816 175.419 174.600 0.005 0.000 1.169 18 S CA 0.210 58.412 58.200 0.004 0.000 0.958 18 S CB 1.373 64.574 63.200 0.001 0.000 1.095 18 S HN 1.011 nan 8.310 nan 0.000 0.471 19 L N 5.329 126.555 121.223 0.006 0.000 2.056 19 L HA 0.044 4.384 4.340 0.000 0.000 0.207 19 L C 2.517 179.389 176.870 0.003 0.000 1.078 19 L CA 1.310 56.154 54.840 0.006 0.000 0.749 19 L CB -0.205 41.858 42.059 0.007 0.000 0.901 19 L HN 0.773 nan 8.230 nan 0.000 0.433 20 R N -0.240 120.261 120.500 0.002 0.000 2.081 20 R HA -0.136 4.205 4.340 0.000 0.000 0.235 20 R C 2.322 178.619 176.300 -0.005 0.000 1.131 20 R CA 1.322 57.422 56.100 0.000 0.000 0.960 20 R CB -0.616 29.684 30.300 0.001 0.000 0.856 20 R HN 0.502 nan 8.270 nan 0.000 0.436 21 A N 1.308 124.124 122.820 -0.007 0.000 1.930 21 A HA -0.073 4.247 4.320 0.000 0.000 0.217 21 A C 2.375 179.946 177.584 -0.023 0.000 1.175 21 A CA 1.579 53.608 52.037 -0.014 0.000 0.627 21 A CB -0.565 18.429 19.000 -0.011 0.000 0.815 21 A HN 0.393 nan 8.150 nan 0.000 0.443 22 A N -0.054 122.757 122.820 -0.015 0.000 1.898 22 A HA 0.179 4.499 4.320 0.000 0.000 0.216 22 A C 2.511 180.079 177.584 -0.027 0.000 1.181 22 A CA 2.009 54.035 52.037 -0.019 0.000 0.620 22 A CB -1.044 17.954 19.000 -0.004 0.000 0.819 22 A HN 1.045 nan 8.150 nan 0.000 0.442 23 A N -1.088 121.723 122.820 -0.015 0.000 1.883 23 A HA -0.225 4.095 4.320 0.000 0.000 0.217 23 A C 2.145 179.710 177.584 -0.032 0.000 1.186 23 A CA 1.800 53.829 52.037 -0.012 0.000 0.624 23 A CB -0.518 18.483 19.000 0.002 0.000 0.822 23 A HN 0.493 nan 8.150 nan 0.000 0.444 24 Q N -0.709 119.068 119.800 -0.038 0.000 2.084 24 Q HA -0.131 4.209 4.340 0.000 0.000 0.202 24 Q C 2.207 178.109 176.000 -0.163 0.000 0.978 24 Q CA 1.530 57.301 55.803 -0.054 0.000 0.844 24 Q CB -0.578 28.142 28.738 -0.031 0.000 0.898 24 Q HN 0.747 nan 8.270 nan 0.000 0.426 25 L N 0.057 121.187 121.223 -0.155 0.000 2.046 25 L HA -0.114 4.226 4.340 0.000 0.000 0.208 25 L C 1.839 178.511 176.870 -0.331 0.000 1.077 25 L CA 0.978 55.691 54.840 -0.212 0.000 0.747 25 L CB -0.058 41.936 42.059 -0.108 0.000 0.896 25 L HN 0.153 nan 8.230 nan 0.000 0.432 26 L N -1.087 120.013 121.223 -0.205 0.000 2.591 26 L HA 0.031 4.371 4.340 0.000 0.000 0.228 26 L C 0.165 176.994 176.870 -0.068 0.000 1.133 26 L CA 0.022 54.783 54.840 -0.132 0.000 0.880 26 L CB -0.630 41.407 42.059 -0.037 0.000 1.033 26 L HN 0.380 nan 8.230 nan 0.000 0.450 27 H N -1.050 118.026 119.070 0.010 0.000 2.756 27 H HA -0.146 4.410 4.556 0.000 0.000 0.315 27 H C -0.376 174.958 175.328 0.009 0.000 1.210 27 H CA -0.055 55.998 56.048 0.009 0.000 1.150 27 H CB -1.815 27.952 29.762 0.008 0.000 1.463 27 H HN 0.254 nan 8.280 nan 0.000 0.427 28 L N -0.245 121.024 121.223 0.076 0.000 2.330 28 L HA 0.395 4.735 4.340 0.000 0.000 0.271 28 L C 0.755 177.650 176.870 0.042 0.000 1.013 28 L CA -0.867 54.005 54.840 0.054 0.000 0.816 28 L CB 1.800 43.879 42.059 0.033 0.000 1.287 28 L HN 0.219 nan 8.230 nan 0.000 0.435 29 S N 0.783 116.504 115.700 0.035 0.000 2.525 29 S HA 0.019 4.489 4.470 0.000 0.000 0.285 29 S C 0.901 175.512 174.600 0.019 0.000 1.283 29 S CA -0.145 58.070 58.200 0.026 0.000 1.072 29 S CB 0.694 63.907 63.200 0.021 0.000 0.867 29 S HN 0.707 nan 8.310 nan 0.000 0.492 30 Q N 4.985 124.794 119.800 0.016 0.000 2.030 30 Q HA -0.081 4.259 4.340 0.000 0.000 0.204 30 Q C -0.547 175.458 176.000 0.009 0.000 0.986 30 Q CA 1.713 57.522 55.803 0.011 0.000 0.843 30 Q CB -0.922 27.822 28.738 0.009 0.000 0.904 30 Q HN 0.678 nan 8.270 nan 0.000 0.420 31 P HA -0.163 nan 4.420 nan 0.000 0.216 31 P C 0.874 178.177 177.300 0.006 0.000 1.150 31 P CA 1.883 64.987 63.100 0.006 0.000 0.837 31 P CB -0.075 31.628 31.700 0.005 0.000 0.786 32 A N 0.107 122.932 122.820 0.009 0.000 1.883 32 A HA -0.183 4.137 4.320 0.000 0.000 0.217 32 A C 2.248 179.837 177.584 0.009 0.000 1.186 32 A CA 1.796 53.838 52.037 0.009 0.000 0.624 32 A CB -1.670 17.337 19.000 0.013 0.000 0.822 32 A HN 0.200 nan 8.150 nan 0.000 0.444 33 L N -0.221 121.008 121.223 0.011 0.000 2.056 33 L HA -0.079 4.261 4.340 0.000 0.000 0.207 33 L C 2.567 179.441 176.870 0.006 0.000 1.078 33 L CA 2.560 57.407 54.840 0.011 0.000 0.749 33 L CB -0.835 41.231 42.059 0.013 0.000 0.901 33 L HN 0.357 nan 8.230 nan 0.000 0.433 34 S N -0.633 115.069 115.700 0.004 0.000 2.359 34 S HA -0.223 4.247 4.470 0.000 0.000 0.224 34 S C 2.165 176.762 174.600 -0.005 0.000 1.035 34 S CA 1.456 59.655 58.200 -0.000 0.000 1.018 34 S CB -0.536 62.664 63.200 -0.000 0.000 0.876 34 S HN 0.671 nan 8.310 nan 0.000 0.448 35 A N 1.190 124.007 122.820 -0.003 0.000 1.933 35 A HA 0.217 4.537 4.320 0.000 0.000 0.218 35 A C 2.457 180.036 177.584 -0.009 0.000 1.175 35 A CA 1.848 53.881 52.037 -0.007 0.000 0.628 35 A CB -1.322 17.675 19.000 -0.004 0.000 0.814 35 A HN 0.779 nan 8.150 nan 0.000 0.444 36 A N -0.162 122.655 122.820 -0.004 0.000 1.902 36 A HA -0.061 4.259 4.320 0.000 0.000 0.217 36 A C 2.111 179.687 177.584 -0.013 0.000 1.181 36 A CA 1.522 53.556 52.037 -0.004 0.000 0.623 36 A CB -0.536 18.468 19.000 0.007 0.000 0.818 36 A HN 0.495 nan 8.150 nan 0.000 0.443 37 I N -0.995 119.566 120.570 -0.014 0.000 2.286 37 I HA -0.238 3.932 4.170 0.000 0.000 0.245 37 I C 2.718 178.806 176.117 -0.047 0.000 1.104 37 I CA 1.582 62.865 61.300 -0.029 0.000 1.397 37 I CB -0.241 37.749 38.000 -0.017 0.000 1.072 37 I HN 0.410 nan 8.210 nan 0.000 0.417 38 Q N 1.184 120.963 119.800 -0.035 0.000 2.077 38 Q HA -0.308 4.032 4.340 0.000 0.000 0.206 38 Q C 2.154 178.124 176.000 -0.050 0.000 0.989 38 Q CA 2.020 57.798 55.803 -0.041 0.000 0.853 38 Q CB -0.346 28.374 28.738 -0.029 0.000 0.907 38 Q HN 0.473 nan 8.270 nan 0.000 0.418 39 Q N -0.910 118.865 119.800 -0.041 0.000 2.124 39 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 39 Q C 1.955 177.920 176.000 -0.058 0.000 0.977 39 Q CA 1.395 57.173 55.803 -0.041 0.000 0.850 39 Q CB -0.184 28.539 28.738 -0.026 0.000 0.901 39 Q HN 0.475 nan 8.270 nan 0.000 0.429 40 L N 1.239 122.420 121.223 -0.070 0.000 2.017 40 L HA -0.163 4.177 4.340 0.000 0.000 0.208 40 L C 1.809 178.582 176.870 -0.162 0.000 1.073 40 L CA 1.947 56.720 54.840 -0.111 0.000 0.745 40 L CB -0.457 41.526 42.059 -0.125 0.000 0.894 40 L HN 0.216 nan 8.230 nan 0.000 0.432 41 E N -0.479 119.629 120.200 -0.153 0.000 2.085 41 E HA -0.240 4.110 4.350 0.000 0.000 0.194 41 E C 1.781 178.299 176.600 -0.136 0.000 0.994 41 E CA 1.390 57.694 56.400 -0.161 0.000 0.801 41 E CB -0.235 29.392 29.700 -0.122 0.000 0.743 41 E HN 0.583 nan 8.360 nan 0.000 0.453 42 D N 0.809 121.149 120.400 -0.100 0.000 2.117 42 D HA -0.155 4.485 4.640 0.000 0.000 0.197 42 D C 1.757 178.007 176.300 -0.083 0.000 0.987 42 D CA 1.070 55.020 54.000 -0.083 0.000 0.829 42 D CB -0.200 40.564 40.800 -0.060 0.000 0.961 42 D HN 0.293 nan 8.370 nan 0.000 0.460 43 E N 0.218 120.369 120.200 -0.082 0.000 2.072 43 E HA -0.069 4.281 4.350 0.000 0.000 0.191 43 E C 2.223 178.773 176.600 -0.083 0.000 0.985 43 E CA 0.459 56.817 56.400 -0.069 0.000 0.801 43 E CB -0.070 29.597 29.700 -0.054 0.000 0.750 43 E HN 0.253 nan 8.360 nan 0.000 0.452 44 L N 0.451 121.600 121.223 -0.123 0.000 2.478 44 L HA -0.013 4.327 4.340 0.000 0.000 0.223 44 L C 0.505 177.285 176.870 -0.150 0.000 1.140 44 L CA 0.402 55.159 54.840 -0.138 0.000 0.842 44 L CB -0.235 41.693 42.059 -0.217 0.000 0.953 44 L HN 0.059 nan 8.230 nan 0.000 0.452 45 K N -0.486 119.824 120.400 -0.150 0.000 3.071 45 K HA -0.185 4.135 4.320 0.000 0.000 0.265 45 K C -0.129 176.311 176.600 -0.266 0.000 1.060 45 K CA 0.419 56.606 56.287 -0.166 0.000 0.767 45 K CB -1.624 30.801 32.500 -0.125 0.000 1.241 45 K HN 0.431 nan 8.250 nan 0.000 0.486 46 A N -0.273 122.360 122.820 -0.312 0.000 2.604 46 A HA 0.642 4.962 4.320 0.000 0.000 0.295 46 A C -2.926 174.486 177.584 -0.286 0.000 1.067 46 A CA -1.356 50.395 52.037 -0.477 0.000 0.683 46 A CB 1.455 19.864 19.000 -0.985 0.000 1.281 46 A HN -0.099 nan 8.150 nan 0.000 0.407 47 P HA 0.461 nan 4.420 nan 0.000 0.279 47 P C 0.267 177.587 177.300 0.033 0.000 1.239 47 P CA -0.265 62.803 63.100 -0.053 0.000 0.789 47 P CB 0.740 32.444 31.700 0.008 0.000 0.933 48 L N 1.226 122.446 121.223 -0.005 0.000 2.416 48 L HA 0.224 4.564 4.340 0.000 0.000 0.216 48 L C 0.681 177.588 176.870 0.062 0.000 1.098 48 L CA 0.561 55.420 54.840 0.031 0.000 0.840 48 L CB -0.105 41.923 42.059 -0.053 0.000 0.981 48 L HN 0.270 nan 8.230 nan 0.000 0.462 49 L N -0.383 120.865 121.223 0.042 0.000 2.370 49 L HA 0.603 4.943 4.340 0.000 0.000 0.266 49 L C -1.051 175.842 176.870 0.039 0.000 1.002 49 L CA -0.631 54.232 54.840 0.038 0.000 0.818 49 L CB 3.072 45.144 42.059 0.022 0.000 1.325 49 L HN -0.353 nan 8.230 nan 0.000 0.418 50 V N 2.294 122.229 119.914 0.035 0.000 2.709 50 V HA 0.554 4.674 4.120 0.000 0.000 0.308 50 V C -0.554 175.552 176.094 0.020 0.000 1.062 50 V CA -0.627 61.691 62.300 0.030 0.000 0.901 50 V CB 2.252 34.096 31.823 0.034 0.000 1.003 50 V HN 0.808 nan 8.190 nan 0.000 0.425 51 R N 3.621 124.131 120.500 0.016 0.000 2.490 51 R HA 0.640 4.980 4.340 0.000 0.000 0.280 51 R C 0.009 176.316 176.300 0.011 0.000 1.077 51 R CA 0.775 56.882 56.100 0.012 0.000 1.065 51 R CB 0.986 31.291 30.300 0.009 0.000 1.003 51 R HN 1.030 nan 8.270 nan 0.000 0.470 52 T N -0.085 114.474 114.554 0.009 0.000 2.888 52 T HA 0.457 4.807 4.350 0.000 0.000 0.288 52 T C 1.059 175.763 174.700 0.006 0.000 1.063 52 T CA -0.333 61.772 62.100 0.007 0.000 1.010 52 T CB 1.445 70.318 68.868 0.007 0.000 1.214 52 T HN 0.485 nan 8.240 nan 0.000 0.533 53 K N -0.192 120.211 120.400 0.005 0.000 2.148 53 K HA 0.080 4.400 4.320 0.000 0.000 0.204 53 K C 2.776 179.378 176.600 0.004 0.000 1.050 53 K CA 2.054 58.343 56.287 0.004 0.000 0.942 53 K CB -1.731 30.771 32.500 0.003 0.000 0.724 53 K HN 0.869 nan 8.250 nan 0.000 0.446 54 R N -0.235 120.267 120.500 0.004 0.000 2.070 54 R HA 0.294 4.634 4.340 0.000 0.000 0.233 54 R C 2.363 178.666 176.300 0.004 0.000 1.137 54 R CA 2.529 58.631 56.100 0.004 0.000 0.945 54 R CB -1.043 29.259 30.300 0.004 0.000 0.845 54 R HN 1.113 nan 8.270 nan 0.000 0.430 55 G N -2.286 106.517 108.800 0.005 0.000 2.445 55 G HA2 0.362 4.322 3.960 0.000 0.000 0.104 55 G HA3 0.362 4.322 3.960 0.000 0.000 0.104 55 G C -0.469 174.435 174.900 0.008 0.000 0.958 55 G CA 0.616 45.720 45.100 0.006 0.000 1.324 55 G HN 1.356 nan 8.290 nan 0.000 0.549 56 V N -1.445 118.475 119.914 0.010 0.000 3.007 56 V HA 0.944 5.064 4.120 0.000 0.000 0.311 56 V C -0.509 175.594 176.094 0.015 0.000 1.120 56 V CA -0.418 61.890 62.300 0.013 0.000 0.980 56 V CB 1.440 33.272 31.823 0.015 0.000 1.033 56 V HN 0.846 nan 8.190 nan 0.000 0.429 57 S N 2.170 117.881 115.700 0.018 0.000 2.634 57 S HA 0.768 5.238 4.470 0.000 0.000 0.296 57 S C -0.513 174.105 174.600 0.030 0.000 1.104 57 S CA -0.821 57.392 58.200 0.021 0.000 0.920 57 S CB 1.679 64.888 63.200 0.015 0.000 1.111 57 S HN 0.799 nan 8.310 nan 0.000 0.493 58 L N 2.368 123.612 121.223 0.035 0.000 2.426 58 L HA 0.273 4.613 4.340 0.000 0.000 0.271 58 L C 1.244 178.139 176.870 0.043 0.000 1.169 58 L CA -0.428 54.443 54.840 0.050 0.000 0.836 58 L CB 0.380 42.474 42.059 0.058 0.000 1.112 58 L HN 0.794 nan 8.230 nan 0.000 0.465 59 T N -1.653 112.941 114.554 0.066 0.000 2.732 59 T HA 0.061 4.411 4.350 0.000 0.000 0.287 59 T C 1.355 176.046 174.700 -0.016 0.000 0.993 59 T CA -0.218 61.913 62.100 0.052 0.000 0.966 59 T CB 0.992 69.959 68.868 0.166 0.000 1.047 59 T HN 0.731 nan 8.240 nan 0.000 0.527 60 S N 0.409 116.010 115.700 -0.164 0.000 2.370 60 S HA -0.165 4.305 4.470 0.000 0.000 0.226 60 S C 1.722 176.172 174.600 -0.250 0.000 1.033 60 S CA 1.112 59.145 58.200 -0.280 0.000 1.011 60 S CB -1.196 61.717 63.200 -0.478 0.000 0.852 60 S HN 0.641 nan 8.310 nan 0.000 0.457 61 F N 2.740 122.717 119.950 0.045 0.000 2.134 61 F HA 0.176 4.703 4.527 0.000 0.000 0.299 61 F C 2.913 178.779 175.800 0.109 0.000 1.097 61 F CA 0.606 58.645 58.000 0.064 0.000 1.264 61 F CB -1.355 37.661 39.000 0.027 0.000 1.001 61 F HN 0.372 nan 8.300 nan 0.000 0.479 62 G N -0.723 108.226 108.800 0.248 0.000 2.422 62 G HA2 -0.210 3.750 3.960 0.000 0.000 0.218 62 G HA3 -0.210 3.750 3.960 0.000 0.000 0.218 62 G C 1.516 176.538 174.900 0.203 0.000 1.146 62 G CA 0.556 45.787 45.100 0.219 0.000 0.769 62 G HN 0.350 nan 8.290 nan 0.000 0.547 63 Q N 0.206 120.075 119.800 0.116 0.000 2.079 63 Q HA 0.054 4.394 4.340 0.000 0.000 0.200 63 Q C 3.017 179.067 176.000 0.084 0.000 0.974 63 Q CA 1.266 57.113 55.803 0.073 0.000 0.840 63 Q CB -0.263 28.487 28.738 0.019 0.000 0.898 63 Q HN 0.462 nan 8.270 nan 0.000 0.430 64 A N 0.571 123.459 122.820 0.113 0.000 1.877 64 A HA -0.207 4.113 4.320 0.000 0.000 0.216 64 A C 1.896 179.617 177.584 0.227 0.000 1.186 64 A CA 1.282 53.401 52.037 0.137 0.000 0.620 64 A CB -0.853 18.252 19.000 0.174 0.000 0.822 64 A HN 0.456 nan 8.150 nan 0.000 0.443 65 F N -0.382 119.671 119.950 0.172 0.000 2.171 65 F HA -0.162 4.365 4.527 0.000 0.000 0.300 65 F C 2.139 178.034 175.800 0.159 0.000 1.090 65 F CA 2.141 60.269 58.000 0.213 0.000 1.293 65 F CB -0.207 38.879 39.000 0.143 0.000 1.013 65 F HN 0.256 nan 8.300 nan 0.000 0.486 66 M N 0.915 120.603 119.600 0.147 0.000 2.213 66 M HA -0.184 4.296 4.480 0.000 0.000 0.263 66 M C 1.892 178.139 176.300 -0.087 0.000 1.062 66 M CA 1.718 57.035 55.300 0.027 0.000 1.105 66 M CB -0.556 32.090 32.600 0.077 0.000 1.385 66 M HN 0.047 nan 8.290 nan 0.000 0.417 67 K N -1.146 119.181 120.400 -0.121 0.000 2.063 67 K HA -0.188 4.132 4.320 0.000 0.000 0.208 67 K C 2.004 178.437 176.600 -0.279 0.000 1.048 67 K CA 1.571 57.732 56.287 -0.211 0.000 0.928 67 K CB -0.592 31.741 32.500 -0.278 0.000 0.713 67 K HN 0.536 nan 8.250 nan 0.000 0.442 68 H N 0.282 119.228 119.070 -0.208 0.000 2.357 68 H HA -0.003 4.553 4.556 0.000 0.000 0.301 68 H C 2.259 177.401 175.328 -0.310 0.000 1.082 68 H CA 1.355 57.244 56.048 -0.264 0.000 1.342 68 H CB -0.241 29.313 29.762 -0.348 0.000 1.389 68 H HN 0.259 nan 8.280 nan 0.000 0.511 69 A N 1.760 124.386 122.820 -0.323 0.000 1.908 69 A HA -0.220 4.100 4.320 0.000 0.000 0.218 69 A C 2.527 180.051 177.584 -0.099 0.000 1.181 69 A CA 1.625 53.517 52.037 -0.241 0.000 0.627 69 A CB -0.480 18.411 19.000 -0.181 0.000 0.818 69 A HN 0.331 nan 8.150 nan 0.000 0.445 70 R N -0.713 119.736 120.500 -0.085 0.000 2.081 70 R HA -0.014 4.326 4.340 0.000 0.000 0.235 70 R C 2.085 178.357 176.300 -0.046 0.000 1.131 70 R CA 1.374 57.444 56.100 -0.050 0.000 0.960 70 R CB -0.511 29.761 30.300 -0.047 0.000 0.856 70 R HN 0.513 nan 8.270 nan 0.000 0.436 71 L N 0.338 121.525 121.223 -0.060 0.000 2.046 71 L HA -0.193 4.147 4.340 0.000 0.000 0.208 71 L C 2.331 179.185 176.870 -0.026 0.000 1.077 71 L CA 1.309 56.125 54.840 -0.041 0.000 0.747 71 L CB -0.340 41.695 42.059 -0.041 0.000 0.896 71 L HN 0.174 nan 8.230 nan 0.000 0.432 72 I N -1.257 119.293 120.570 -0.033 0.000 2.252 72 I HA -0.233 3.937 4.170 0.000 0.000 0.245 72 I C 2.403 178.513 176.117 -0.011 0.000 1.102 72 I CA 0.845 62.132 61.300 -0.021 0.000 1.385 72 I CB -0.193 37.787 38.000 -0.033 0.000 1.064 72 I HN -0.025 nan 8.210 nan 0.000 0.414 73 V N 0.434 120.341 119.914 -0.012 0.000 2.295 73 V HA -0.284 3.836 4.120 0.000 0.000 0.246 73 V C 2.504 178.598 176.094 -0.000 0.000 1.049 73 V CA 2.472 64.771 62.300 -0.001 0.000 1.024 73 V CB -0.888 30.936 31.823 0.003 0.000 0.648 73 V HN 0.465 nan 8.190 nan 0.000 0.447 74 T N -0.638 113.913 114.554 -0.006 0.000 2.746 74 T HA -0.230 4.120 4.350 0.000 0.000 0.267 74 T C 1.922 176.621 174.700 -0.002 0.000 1.039 74 T CA 1.809 63.907 62.100 -0.004 0.000 1.142 74 T CB -0.207 68.655 68.868 -0.009 0.000 0.866 74 T HN 0.450 nan 8.240 nan 0.000 0.444 75 E N 1.035 121.233 120.200 -0.003 0.000 2.106 75 E HA -0.056 4.294 4.350 0.000 0.000 0.192 75 E C 2.393 178.995 176.600 0.003 0.000 0.984 75 E CA 1.026 57.426 56.400 -0.001 0.000 0.806 75 E CB -0.300 29.399 29.700 -0.002 0.000 0.750 75 E HN 0.339 nan 8.360 nan 0.000 0.458 76 S N -0.088 115.615 115.700 0.005 0.000 2.368 76 S HA -0.141 4.329 4.470 0.000 0.000 0.224 76 S C 1.910 176.516 174.600 0.011 0.000 1.029 76 S CA 1.198 59.404 58.200 0.009 0.000 0.988 76 S CB -0.260 62.947 63.200 0.011 0.000 0.838 76 S HN 0.271 nan 8.310 nan 0.000 0.462 77 R N 1.238 121.744 120.500 0.010 0.000 2.075 77 R HA 0.026 4.366 4.340 0.000 0.000 0.232 77 R C 2.403 178.710 176.300 0.012 0.000 1.126 77 R CA 1.056 57.163 56.100 0.012 0.000 0.963 77 R CB -0.107 30.200 30.300 0.011 0.000 0.858 77 R HN 0.261 nan 8.270 nan 0.000 0.435 78 R N 0.011 120.516 120.500 0.009 0.000 2.091 78 R HA -0.107 4.233 4.340 0.000 0.000 0.238 78 R C 2.362 178.668 176.300 0.009 0.000 1.136 78 R CA 1.502 57.607 56.100 0.008 0.000 0.959 78 R CB -0.372 29.931 30.300 0.005 0.000 0.856 78 R HN 0.286 nan 8.270 nan 0.000 0.437 79 A N 1.031 123.856 122.820 0.008 0.000 1.883 79 A HA -0.210 4.110 4.320 0.000 0.000 0.217 79 A C 2.077 179.669 177.584 0.012 0.000 1.186 79 A CA 1.246 53.288 52.037 0.008 0.000 0.624 79 A CB -0.380 18.624 19.000 0.007 0.000 0.822 79 A HN 0.244 nan 8.150 nan 0.000 0.444 80 Q N -0.341 119.468 119.800 0.015 0.000 2.084 80 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 80 Q C 1.944 177.958 176.000 0.023 0.000 0.978 80 Q CA 1.716 57.531 55.803 0.020 0.000 0.844 80 Q CB -0.355 28.396 28.738 0.021 0.000 0.898 80 Q HN 0.815 nan 8.270 nan 0.000 0.426 81 E N 0.758 120.971 120.200 0.021 0.000 2.051 81 E HA -0.208 4.142 4.350 0.000 0.000 0.192 81 E C 1.987 178.602 176.600 0.025 0.000 0.991 81 E CA 0.962 57.376 56.400 0.023 0.000 0.799 81 E CB -0.037 29.675 29.700 0.019 0.000 0.748 81 E HN 0.398 nan 8.360 nan 0.000 0.449 82 E N 0.562 120.774 120.200 0.020 0.000 2.047 82 E HA -0.195 4.155 4.350 0.000 0.000 0.191 82 E C 2.085 178.699 176.600 0.022 0.000 0.987 82 E CA 0.797 57.208 56.400 0.019 0.000 0.799 82 E CB 0.122 29.829 29.700 0.011 0.000 0.752 82 E HN 0.105 nan 8.360 nan 0.000 0.449 83 I N 1.190 121.772 120.570 0.019 0.000 2.226 83 I HA -0.165 4.005 4.170 0.000 0.000 0.245 83 I C 2.555 178.699 176.117 0.045 0.000 1.100 83 I CA 1.544 62.857 61.300 0.022 0.000 1.374 83 I CB -1.789 36.221 38.000 0.016 0.000 1.057 83 I HN 0.256 nan 8.210 nan 0.000 0.413 84 G N 0.245 109.073 108.800 0.047 0.000 2.440 84 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 84 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 84 G C 1.541 176.483 174.900 0.069 0.000 1.154 84 G CA 0.365 45.502 45.100 0.060 0.000 0.767 84 G HN 0.331 nan 8.290 nan 0.000 0.552 85 Q N 0.036 119.869 119.800 0.056 0.000 2.079 85 Q HA 0.059 4.399 4.340 0.000 0.000 0.200 85 Q C 2.836 178.883 176.000 0.077 0.000 0.974 85 Q CA 0.806 56.645 55.803 0.060 0.000 0.840 85 Q CB -0.428 28.337 28.738 0.045 0.000 0.898 85 Q HN 0.522 nan 8.270 nan 0.000 0.430 86 L N 0.054 121.318 121.223 0.067 0.000 2.056 86 L HA -0.115 4.225 4.340 0.000 0.000 0.207 86 L C 2.732 179.683 176.870 0.136 0.000 1.078 86 L CA 1.130 56.014 54.840 0.073 0.000 0.749 86 L CB -0.459 41.613 42.059 0.022 0.000 0.901 86 L HN 0.159 nan 8.230 nan 0.000 0.433 87 R N 0.520 121.108 120.500 0.146 0.000 2.081 87 R HA -0.139 4.201 4.340 0.000 0.000 0.235 87 R C 2.263 178.739 176.300 0.293 0.000 1.131 87 R CA 1.533 57.797 56.100 0.274 0.000 0.960 87 R CB -0.555 29.881 30.300 0.227 0.000 0.856 87 R HN 0.368 nan 8.270 nan 0.000 0.436 88 G N 0.655 109.564 108.800 0.182 0.000 2.440 88 G HA2 -0.271 3.689 3.960 0.000 0.000 0.218 88 G HA3 -0.271 3.689 3.960 0.000 0.000 0.218 88 G C 1.479 176.471 174.900 0.153 0.000 1.154 88 G CA 0.626 45.811 45.100 0.142 0.000 0.767 88 G HN 0.320 nan 8.290 nan 0.000 0.552 89 R N -1.384 119.222 120.500 0.176 0.000 2.090 89 R HA -0.053 4.287 4.340 0.000 0.000 0.228 89 R C 2.241 178.698 176.300 0.262 0.000 1.110 89 R CA 1.073 57.286 56.100 0.188 0.000 0.973 89 R CB -0.338 30.060 30.300 0.164 0.000 0.869 89 R HN 0.538 nan 8.270 nan 0.000 0.440 90 W N 2.376 123.727 121.300 0.084 0.000 2.378 90 W HA -0.123 4.537 4.660 -0.000 0.000 0.313 90 W C 0.534 177.109 176.519 0.093 0.000 1.197 90 W CA 1.060 58.459 57.345 0.090 0.000 1.304 90 W CB -0.168 29.334 29.460 0.071 0.000 1.148 90 W HN -0.077 nan 8.180 nan 0.000 0.494 91 E N -0.302 119.915 120.200 0.028 0.000 3.079 91 E HA 0.125 4.475 4.350 0.000 0.000 0.267 91 E C 0.879 177.440 176.600 -0.065 0.000 1.509 91 E CA 0.403 56.703 56.400 -0.168 0.000 1.630 91 E CB -0.763 28.923 29.700 -0.023 0.000 1.373 91 E HN 0.421 nan 8.360 nan 0.000 0.439 92 G N 0.300 109.080 108.800 -0.033 0.000 3.873 92 G HA2 0.040 4.000 3.960 0.000 0.000 0.232 92 G HA3 0.040 4.000 3.960 0.000 0.000 0.232 92 G C -0.294 174.342 174.900 -0.439 0.000 1.097 92 G CA -0.333 44.659 45.100 -0.180 0.000 0.889 92 G HN 0.243 nan 8.290 nan 0.000 0.532 93 H N -0.751 118.342 119.070 0.039 0.000 2.894 93 H HA 0.685 5.241 4.556 0.000 0.000 0.367 93 H C -1.088 174.268 175.328 0.047 0.000 1.144 93 H CA -0.514 55.566 56.048 0.055 0.000 1.180 93 H CB 2.407 32.203 29.762 0.057 0.000 1.758 93 H HN 0.031 nan 8.280 nan 0.000 0.541 94 I N 1.569 122.241 120.570 0.169 0.000 2.569 94 I HA 0.376 4.546 4.170 0.000 0.000 0.290 94 I C -0.657 175.530 176.117 0.116 0.000 1.088 94 I CA -0.584 60.790 61.300 0.123 0.000 1.047 94 I CB 2.390 40.434 38.000 0.075 0.000 1.237 94 I HN 0.584 nan 8.210 nan 0.000 0.421 95 T N 6.090 120.681 114.554 0.062 0.000 2.841 95 T HA 0.781 5.131 4.350 0.000 0.000 0.285 95 T C -0.989 173.651 174.700 -0.101 0.000 0.991 95 T CA -0.414 61.680 62.100 -0.009 0.000 0.966 95 T CB 0.806 69.656 68.868 -0.031 0.000 0.962 95 T HN 0.464 nan 8.240 nan 0.000 0.438 96 F N 2.013 121.713 119.950 -0.417 0.000 2.685 96 F HA 0.923 5.450 4.527 -0.000 0.000 0.315 96 F C -1.036 174.574 175.800 -0.317 0.000 1.126 96 F CA -1.488 56.146 58.000 -0.609 0.000 0.950 96 F CB 0.917 39.037 39.000 -1.466 0.000 1.360 96 F HN 0.757 nan 8.300 nan 0.000 0.469 97 A N 1.188 123.886 122.820 -0.203 0.000 2.356 97 A HA 0.979 5.299 4.320 0.000 0.000 0.323 97 A C -1.163 176.446 177.584 0.041 0.000 1.119 97 A CA -0.374 51.568 52.037 -0.159 0.000 0.790 97 A CB 1.111 20.087 19.000 -0.039 0.000 1.273 97 A HN 1.851 nan 8.150 nan 0.000 0.452 98 A N 0.809 123.629 122.820 0.000 0.000 2.486 98 A HA 0.748 5.068 4.320 0.000 0.000 0.300 98 A C 0.094 177.723 177.584 0.075 0.000 1.048 98 A CA 0.104 52.212 52.037 0.118 0.000 0.696 98 A CB 1.049 20.142 19.000 0.155 0.000 1.278 98 A HN 2.037 nan 8.150 nan 0.000 0.405 99 S N 1.992 117.746 115.700 0.091 0.000 2.632 99 S HA 0.522 4.992 4.470 0.000 0.000 0.267 99 S C -1.889 172.709 174.600 -0.003 0.000 1.276 99 S CA -0.854 57.376 58.200 0.051 0.000 0.998 99 S CB 0.700 63.934 63.200 0.056 0.000 0.953 99 S HN 0.360 nan 8.310 nan 0.000 0.547 100 P HA -0.061 nan 4.420 nan 0.000 0.215 100 P C 1.573 178.821 177.300 -0.085 0.000 1.153 100 P CA 2.005 65.035 63.100 -0.117 0.000 0.853 100 P CB -0.308 31.192 31.700 -0.335 0.000 0.788 101 A N -0.667 122.102 122.820 -0.084 0.000 1.933 101 A HA -0.166 4.154 4.320 0.000 0.000 0.218 101 A C 2.115 179.660 177.584 -0.065 0.000 1.175 101 A CA 1.374 53.383 52.037 -0.047 0.000 0.628 101 A CB -1.371 17.642 19.000 0.021 0.000 0.814 101 A HN 0.033 nan 8.150 nan 0.000 0.444 102 I N -0.035 120.517 120.570 -0.030 0.000 2.163 102 I HA -0.189 3.981 4.170 0.000 0.000 0.240 102 I C 2.971 179.093 176.117 0.009 0.000 1.081 102 I CA 1.382 62.675 61.300 -0.011 0.000 1.353 102 I CB -1.691 36.347 38.000 0.064 0.000 1.054 102 I HN 0.347 nan 8.210 nan 0.000 0.407 103 A N 0.632 123.465 122.820 0.021 0.000 1.978 103 A HA -0.166 4.154 4.320 0.000 0.000 0.220 103 A C 2.348 179.933 177.584 0.000 0.000 1.170 103 A CA 1.544 53.593 52.037 0.021 0.000 0.636 103 A CB -0.734 18.273 19.000 0.010 0.000 0.810 103 A HN 0.460 nan 8.150 nan 0.000 0.448 104 L N -2.557 118.656 121.223 -0.017 0.000 2.416 104 L HA 0.165 4.505 4.340 0.000 0.000 0.216 104 L C 2.511 179.360 176.870 -0.035 0.000 1.098 104 L CA 0.699 55.526 54.840 -0.021 0.000 0.840 104 L CB -0.079 41.969 42.059 -0.018 0.000 0.981 104 L HN 0.427 nan 8.230 nan 0.000 0.462 105 A N -0.711 122.077 122.820 -0.054 0.000 1.989 105 A HA 0.403 4.723 4.320 0.000 0.000 0.201 105 A C 2.217 179.757 177.584 -0.072 0.000 1.720 105 A CA 0.712 52.707 52.037 -0.070 0.000 0.956 105 A CB -0.564 18.377 19.000 -0.098 0.000 1.094 105 A HN 0.126 nan 8.150 nan 0.000 0.561 106 A N 0.015 122.790 122.820 -0.075 0.000 1.872 106 A HA 0.090 4.410 4.320 0.000 0.000 0.214 106 A C 2.125 179.712 177.584 0.005 0.000 1.187 106 A CA 1.375 53.400 52.037 -0.021 0.000 0.614 106 A CB -0.734 18.251 19.000 -0.024 0.000 0.826 106 A HN 0.409 nan 8.150 nan 0.000 0.442 107 L N -0.461 120.776 121.223 0.024 0.000 2.012 107 L HA -0.132 4.208 4.340 0.000 0.000 0.210 107 L C -0.462 176.416 176.870 0.014 0.000 1.073 107 L CA 1.772 56.650 54.840 0.062 0.000 0.748 107 L CB -1.356 40.767 42.059 0.107 0.000 0.891 107 L HN 0.261 nan 8.230 nan 0.000 0.431 108 P HA -0.163 nan 4.420 nan 0.000 0.216 108 P C 1.943 179.178 177.300 -0.109 0.000 1.153 108 P CA 1.312 64.384 63.100 -0.048 0.000 0.848 108 P CB 0.114 31.783 31.700 -0.051 0.000 0.787 109 L N -1.244 119.854 121.223 -0.210 0.000 2.109 109 L HA -0.099 4.241 4.340 0.000 0.000 0.207 109 L C 2.429 179.049 176.870 -0.418 0.000 1.086 109 L CA 1.392 55.983 54.840 -0.414 0.000 0.760 109 L CB -1.029 40.599 42.059 -0.719 0.000 0.910 109 L HN -0.046 nan 8.230 nan 0.000 0.437 110 A N 0.171 122.870 122.820 -0.202 0.000 1.898 110 A HA -0.154 4.166 4.320 0.000 0.000 0.216 110 A C 2.215 179.835 177.584 0.060 0.000 1.181 110 A CA 1.250 53.372 52.037 0.143 0.000 0.620 110 A CB -0.619 18.552 19.000 0.285 0.000 0.819 110 A HN 0.342 nan 8.150 nan 0.000 0.442 111 L N -0.800 120.447 121.223 0.040 0.000 2.083 111 L HA -0.196 4.144 4.340 0.000 0.000 0.209 111 L C 3.077 179.984 176.870 0.061 0.000 1.083 111 L CA 1.020 55.912 54.840 0.087 0.000 0.752 111 L CB -0.509 41.599 42.059 0.083 0.000 0.899 111 L HN 0.448 nan 8.230 nan 0.000 0.433 112 A N -0.647 122.144 122.820 -0.048 0.000 1.873 112 A HA -0.172 4.148 4.320 0.000 0.000 0.215 112 A C 2.508 179.977 177.584 -0.192 0.000 1.186 112 A CA 1.979 53.962 52.037 -0.091 0.000 0.616 112 A CB -0.591 18.345 19.000 -0.107 0.000 0.823 112 A HN 0.361 nan 8.150 nan 0.000 0.442 113 S N -0.880 114.603 115.700 -0.362 0.000 2.356 113 S HA -0.144 4.326 4.470 0.000 0.000 0.223 113 S C 1.684 175.804 174.600 -0.800 0.000 1.032 113 S CA 1.471 59.194 58.200 -0.794 0.000 1.005 113 S CB -0.585 61.672 63.200 -1.572 0.000 0.867 113 S HN 0.635 nan 8.310 nan 0.000 0.449 114 F N 2.775 122.309 119.950 -0.693 0.000 2.091 114 F HA -0.190 4.337 4.527 0.000 0.000 0.299 114 F C 2.314 178.133 175.800 0.033 0.000 1.103 114 F CA 1.299 59.190 58.000 -0.182 0.000 1.228 114 F CB -0.721 38.304 39.000 0.041 0.000 0.984 114 F HN 0.177 nan 8.300 nan 0.000 0.477 115 A N 0.503 123.307 122.820 -0.026 0.000 2.019 115 A HA -0.144 4.176 4.320 0.000 0.000 0.219 115 A C 2.304 179.792 177.584 -0.159 0.000 1.164 115 A CA 1.451 53.441 52.037 -0.079 0.000 0.644 115 A CB -0.678 18.353 19.000 0.052 0.000 0.805 115 A HN 0.507 nan 8.150 nan 0.000 0.449 116 R N -0.842 119.550 120.500 -0.180 0.000 2.073 116 R HA -0.097 4.243 4.340 0.000 0.000 0.229 116 R C 2.229 178.406 176.300 -0.205 0.000 1.120 116 R CA 1.442 57.442 56.100 -0.168 0.000 0.967 116 R CB -0.199 30.004 30.300 -0.161 0.000 0.862 116 R HN 0.760 nan 8.270 nan 0.000 0.436 117 E N -0.161 119.888 120.200 -0.253 0.000 2.112 117 E HA -0.073 4.277 4.350 0.000 0.000 0.190 117 E C -0.327 175.852 176.600 -0.701 0.000 0.979 117 E CA 0.692 56.860 56.400 -0.387 0.000 0.814 117 E CB 0.323 29.888 29.700 -0.224 0.000 0.762 117 E HN 0.128 nan 8.360 nan 0.000 0.460 118 F N 0.830 120.482 119.950 -0.498 0.000 2.471 118 F HA 0.293 4.820 4.527 0.000 0.000 0.318 118 F C -1.850 173.716 175.800 -0.391 0.000 1.308 118 F CA -1.942 55.744 58.000 -0.523 0.000 1.162 118 F CB 1.554 40.016 39.000 -0.898 0.000 1.383 118 F HN 0.013 nan 8.300 nan 0.000 0.552 119 P HA -0.126 nan 4.420 nan 0.000 0.222 119 P C 0.284 177.563 177.300 -0.034 0.000 1.147 119 P CA 1.351 64.402 63.100 -0.083 0.000 0.790 119 P CB 0.422 32.070 31.700 -0.085 0.000 0.780 120 D N -0.483 119.904 120.400 -0.021 0.000 2.424 120 D HA 0.126 4.766 4.640 0.000 0.000 0.220 120 D C 0.095 176.386 176.300 -0.014 0.000 1.150 120 D CA -0.020 53.972 54.000 -0.013 0.000 0.831 120 D CB 0.868 41.658 40.800 -0.016 0.000 0.981 120 D HN 0.052 nan 8.370 nan 0.000 0.500 121 V N 1.111 121.043 119.914 0.031 0.000 2.427 121 V HA 0.215 4.335 4.120 0.000 0.000 0.286 121 V C 0.607 176.741 176.094 0.067 0.000 1.034 121 V CA -0.414 61.914 62.300 0.046 0.000 0.893 121 V CB 1.900 33.842 31.823 0.197 0.000 0.982 121 V HN -0.068 nan 8.190 nan 0.000 0.452 122 T N 4.894 119.415 114.554 -0.055 0.000 2.749 122 T HA 0.436 4.786 4.350 0.000 0.000 0.295 122 T C -0.126 174.636 174.700 0.103 0.000 0.936 122 T CA -0.135 61.979 62.100 0.024 0.000 1.060 122 T CB 1.014 69.884 68.868 0.004 0.000 0.904 122 T HN 0.377 nan 8.240 nan 0.000 0.500 123 V N 4.801 124.792 119.914 0.128 0.000 2.483 123 V HA 0.459 4.579 4.120 0.000 0.000 0.295 123 V C 0.206 176.344 176.094 0.074 0.000 1.035 123 V CA -0.986 61.387 62.300 0.122 0.000 0.896 123 V CB 1.663 33.563 31.823 0.130 0.000 0.986 123 V HN 0.759 nan 8.190 nan 0.000 0.447 124 N N 3.451 122.172 118.700 0.036 0.000 2.483 124 N HA 0.399 5.139 4.740 0.000 0.000 0.267 124 N C -1.465 173.897 175.510 -0.247 0.000 0.998 124 N CA -0.096 52.919 53.050 -0.060 0.000 0.918 124 N CB 1.932 40.400 38.487 -0.030 0.000 1.215 124 N HN 0.484 nan 8.380 nan 0.000 0.500 125 V N 4.878 124.591 119.914 -0.335 0.000 2.555 125 V HA 0.690 4.810 4.120 0.000 0.000 0.302 125 V C -0.530 175.318 176.094 -0.410 0.000 1.038 125 V CA -0.621 61.276 62.300 -0.671 0.000 0.887 125 V CB 1.324 32.690 31.823 -0.762 0.000 0.991 125 V HN 0.776 nan 8.190 nan 0.000 0.434 126 R N 3.445 123.686 120.500 -0.430 0.000 2.888 126 R HA 0.645 4.985 4.340 0.000 0.000 0.264 126 R C -1.368 174.821 176.300 -0.184 0.000 1.045 126 R CA -1.008 54.953 56.100 -0.231 0.000 0.962 126 R CB 1.430 31.628 30.300 -0.170 0.000 1.210 126 R HN 0.481 nan 8.270 nan 0.000 0.479 127 D N -0.257 120.090 120.400 -0.088 0.000 2.362 127 D HA 0.447 5.087 4.640 0.000 0.000 0.242 127 D C -0.041 176.252 176.300 -0.012 0.000 1.132 127 D CA 0.540 54.524 54.000 -0.026 0.000 0.907 127 D CB 1.605 42.418 40.800 0.021 0.000 1.195 127 D HN 0.731 nan 8.370 nan 0.000 0.429 128 G N -0.129 108.690 108.800 0.031 0.000 2.616 128 G HA2 0.481 4.441 3.960 0.000 0.000 0.294 128 G HA3 0.481 4.441 3.960 0.000 0.000 0.294 128 G C -1.530 173.430 174.900 0.100 0.000 1.489 128 G CA -0.730 44.401 45.100 0.052 0.000 0.836 128 G HN 0.403 nan 8.290 nan 0.000 0.527 129 M N 1.093 120.758 119.600 0.109 0.000 2.550 129 M HA 0.693 5.173 4.480 0.000 0.000 0.292 129 M C -1.767 174.628 176.300 0.158 0.000 1.221 129 M CA -1.052 54.337 55.300 0.149 0.000 0.873 129 M CB 2.561 35.252 32.600 0.151 0.000 1.727 129 M HN 0.649 nan 8.290 nan 0.000 0.459 130 Y N 4.547 124.893 120.300 0.077 0.000 2.299 130 Y HA 0.481 5.031 4.550 -0.000 0.000 0.326 130 Y C -1.943 173.997 175.900 0.066 0.000 1.164 130 Y CA -1.223 56.916 58.100 0.065 0.000 1.234 130 Y CB 1.155 39.654 38.460 0.064 0.000 1.219 130 Y HN 0.476 nan 8.280 nan 0.000 0.497 131 P HA 0.112 nan 4.420 nan 0.000 0.255 131 P C 0.638 177.677 177.300 -0.435 0.000 1.248 131 P CA 0.847 63.289 63.100 -1.098 0.000 0.807 131 P CB 0.144 31.259 31.700 -0.975 0.000 1.150 132 A N 1.249 123.956 122.820 -0.188 0.000 1.917 132 A HA -0.188 4.133 4.320 0.000 0.000 0.219 132 A C 2.169 179.719 177.584 -0.056 0.000 1.182 132 A CA 2.487 54.471 52.037 -0.089 0.000 0.633 132 A CB -1.735 17.247 19.000 -0.030 0.000 0.819 132 A HN 0.201 nan 8.150 nan 0.000 0.448 133 V N -2.714 117.193 119.914 -0.013 0.000 3.078 133 V HA -0.099 4.021 4.120 0.000 0.000 0.265 133 V C 2.172 178.291 176.094 0.043 0.000 1.122 133 V CA 2.077 64.401 62.300 0.039 0.000 1.141 133 V CB -1.056 30.829 31.823 0.105 0.000 0.735 133 V HN 0.460 nan 8.190 nan 0.000 0.498 134 S N 1.895 117.591 115.700 -0.006 0.000 2.353 134 S HA -0.083 4.387 4.470 0.000 0.000 0.222 134 S C 0.443 175.054 174.600 0.019 0.000 1.035 134 S CA 2.213 60.431 58.200 0.030 0.000 1.025 134 S CB -1.229 61.937 63.200 -0.057 0.000 0.902 134 S HN 0.660 nan 8.310 nan 0.000 0.440 135 P HA -0.082 nan 4.420 nan 0.000 0.220 135 P C 1.057 178.359 177.300 0.003 0.000 1.148 135 P CA 1.243 64.339 63.100 -0.006 0.000 0.803 135 P CB -0.157 31.532 31.700 -0.018 0.000 0.782 136 Q N -0.697 119.108 119.800 0.007 0.000 2.163 136 Q HA 0.038 4.378 4.340 0.000 0.000 0.198 136 Q C 2.417 178.432 176.000 0.024 0.000 0.954 136 Q CA 0.770 56.579 55.803 0.010 0.000 0.851 136 Q CB -0.535 28.206 28.738 0.004 0.000 0.928 136 Q HN 0.216 nan 8.270 nan 0.000 0.459 137 L N 0.205 121.454 121.223 0.043 0.000 2.046 137 L HA -0.206 4.134 4.340 0.000 0.000 0.208 137 L C 2.414 179.307 176.870 0.039 0.000 1.077 137 L CA 1.370 56.245 54.840 0.059 0.000 0.747 137 L CB -0.289 41.825 42.059 0.093 0.000 0.896 137 L HN 0.172 nan 8.230 nan 0.000 0.432 138 R N 0.150 120.666 120.500 0.027 0.000 2.073 138 R HA -0.142 4.198 4.340 0.000 0.000 0.229 138 R C 1.834 178.136 176.300 0.004 0.000 1.120 138 R CA 1.525 57.630 56.100 0.008 0.000 0.967 138 R CB -0.369 29.934 30.300 0.006 0.000 0.862 138 R HN 0.516 nan 8.270 nan 0.000 0.436 139 D N -1.098 119.306 120.400 0.007 0.000 2.347 139 D HA -0.003 4.637 4.640 0.000 0.000 0.215 139 D C 1.170 177.476 176.300 0.010 0.000 0.976 139 D CA 1.064 55.067 54.000 0.005 0.000 0.884 139 D CB 0.102 40.903 40.800 0.002 0.000 0.915 139 D HN 0.317 nan 8.370 nan 0.000 0.526 140 G N -0.282 108.529 108.800 0.018 0.000 2.176 140 G HA2 -0.338 3.622 3.960 0.000 0.000 0.232 140 G HA3 -0.338 3.622 3.960 0.000 0.000 0.232 140 G C 1.168 176.084 174.900 0.027 0.000 0.986 140 G CA 0.924 46.041 45.100 0.028 0.000 0.643 140 G HN 0.600 nan 8.290 nan 0.000 0.522 141 T N -2.124 112.439 114.554 0.015 0.000 2.951 141 T HA 0.380 4.730 4.350 0.000 0.000 0.268 141 T C 0.883 175.585 174.700 0.003 0.000 1.073 141 T CA 1.336 63.440 62.100 0.006 0.000 1.134 141 T CB 0.371 69.237 68.868 -0.004 0.000 0.884 141 T HN 0.699 nan 8.240 nan 0.000 0.479 142 L N 1.774 123.003 121.223 0.010 0.000 2.325 142 L HA 0.457 4.797 4.340 0.000 0.000 0.281 142 L C 0.222 177.111 176.870 0.033 0.000 1.004 142 L CA -0.527 54.313 54.840 -0.000 0.000 0.823 142 L CB 1.827 43.886 42.059 -0.000 0.000 1.236 142 L HN -0.093 nan 8.230 nan 0.000 0.415 143 D N 3.825 124.240 120.400 0.026 0.000 2.084 143 D HA -0.044 4.596 4.640 0.000 0.000 0.196 143 D C 0.117 176.557 176.300 0.233 0.000 0.985 143 D CA 1.876 55.949 54.000 0.121 0.000 0.826 143 D CB 0.078 40.972 40.800 0.157 0.000 0.978 143 D HN 0.396 nan 8.370 nan 0.000 0.456 144 F N -1.441 118.580 119.950 0.118 0.000 2.685 144 F HA 0.740 5.267 4.527 -0.000 0.000 0.315 144 F C -1.481 174.421 175.800 0.170 0.000 1.126 144 F CA -1.698 56.367 58.000 0.108 0.000 0.950 144 F CB 1.438 40.467 39.000 0.048 0.000 1.360 144 F HN -0.129 nan 8.300 nan 0.000 0.469 145 A N 1.622 124.665 122.820 0.371 0.000 2.414 145 A HA 0.818 5.138 4.320 0.000 0.000 0.306 145 A C -1.782 176.023 177.584 0.369 0.000 1.054 145 A CA -0.881 51.334 52.037 0.298 0.000 0.724 145 A CB 1.535 20.659 19.000 0.206 0.000 1.267 145 A HN 0.846 nan 8.150 nan 0.000 0.418 146 L N 2.023 123.455 121.223 0.349 0.000 2.301 146 L HA 0.668 5.008 4.340 0.000 0.000 0.278 146 L C 0.093 177.089 176.870 0.210 0.000 1.022 146 L CA -0.171 54.839 54.840 0.283 0.000 0.854 146 L CB 1.346 43.587 42.059 0.303 0.000 1.226 146 L HN 0.773 nan 8.230 nan 0.000 0.429 147 T N 1.537 116.208 114.554 0.194 0.000 2.889 147 T HA 0.683 5.033 4.350 0.000 0.000 0.315 147 T C -0.795 174.007 174.700 0.168 0.000 1.291 147 T CA -0.287 61.917 62.100 0.173 0.000 1.028 147 T CB 1.646 70.633 68.868 0.199 0.000 1.235 147 T HN 0.551 nan 8.240 nan 0.000 0.491 148 A N 1.813 124.713 122.820 0.133 0.000 2.462 148 A HA 0.779 5.099 4.320 0.000 0.000 0.243 148 A C 0.493 178.131 177.584 0.090 0.000 1.076 148 A CA 0.337 52.435 52.037 0.102 0.000 0.773 148 A CB -0.419 18.608 19.000 0.046 0.000 1.010 148 A HN 1.634 nan 8.150 nan 0.000 0.493 149 A N 1.616 124.463 122.820 0.045 0.000 2.599 149 A HA 0.665 4.985 4.320 0.000 0.000 0.290 149 A C -1.029 176.433 177.584 -0.203 0.000 1.101 149 A CA -0.742 51.224 52.037 -0.117 0.000 0.674 149 A CB 0.765 19.539 19.000 -0.376 0.000 1.277 149 A HN 0.894 nan 8.150 nan 0.000 0.419 150 H N 1.321 120.401 119.070 0.017 0.000 2.519 150 H HA 0.253 4.809 4.556 0.000 0.000 0.316 150 H C 0.836 176.148 175.328 -0.027 0.000 1.065 150 H CA -0.170 55.910 56.048 0.053 0.000 1.264 150 H CB 1.950 31.754 29.762 0.071 0.000 1.413 150 H HN 0.901 nan 8.280 nan 0.000 0.465 151 K N 2.332 122.787 120.400 0.092 0.000 2.052 151 K HA -0.259 4.061 4.320 0.000 0.000 0.215 151 K C 0.831 177.410 176.600 -0.035 0.000 1.053 151 K CA 1.823 58.073 56.287 -0.061 0.000 0.934 151 K CB 0.080 32.632 32.500 0.087 0.000 0.717 151 K HN 0.575 nan 8.250 nan 0.000 0.450 152 H N -0.329 118.738 119.070 -0.006 0.000 2.546 152 H HA 0.006 4.562 4.556 -0.000 0.000 0.277 152 H C 0.954 176.288 175.328 0.009 0.000 1.004 152 H CA 1.074 57.122 56.048 -0.001 0.000 1.231 152 H CB 0.195 29.964 29.762 0.011 0.000 1.382 152 H HN 0.292 nan 8.280 nan 0.000 0.580 153 D N -0.212 120.270 120.400 0.137 0.000 2.360 153 D HA 0.087 4.727 4.640 0.000 0.000 0.210 153 D C 0.262 176.634 176.300 0.121 0.000 1.047 153 D CA 0.078 54.161 54.000 0.137 0.000 0.854 153 D CB 0.376 41.296 40.800 0.200 0.000 0.936 153 D HN 0.298 nan 8.370 nan 0.000 0.514 154 I N 1.556 122.111 120.570 -0.025 0.000 2.496 154 I HA -0.029 4.141 4.170 0.000 0.000 0.285 154 I C 0.867 177.004 176.117 0.033 0.000 1.080 154 I CA -0.548 60.688 61.300 -0.107 0.000 1.404 154 I CB 0.529 38.324 38.000 -0.342 0.000 1.403 154 I HN -0.198 nan 8.210 nan 0.000 0.539 155 D N 4.782 125.272 120.400 0.151 0.000 2.629 155 D HA -0.099 4.541 4.640 0.000 0.000 0.228 155 D C 1.181 177.528 176.300 0.078 0.000 1.127 155 D CA 0.479 54.554 54.000 0.124 0.000 0.855 155 D CB 1.026 41.920 40.800 0.157 0.000 1.180 155 D HN 0.597 nan 8.370 nan 0.000 0.484 156 T N 2.548 117.148 114.554 0.077 0.000 2.849 156 T HA -0.156 4.194 4.350 0.000 0.000 0.270 156 T C 1.101 175.919 174.700 0.197 0.000 1.066 156 T CA 0.916 63.075 62.100 0.097 0.000 1.130 156 T CB -0.018 68.897 68.868 0.078 0.000 0.864 156 T HN 0.442 nan 8.240 nan 0.000 0.481 157 D N 0.746 121.218 120.400 0.119 0.000 2.309 157 D HA 0.046 4.686 4.640 0.000 0.000 0.212 157 D C 0.476 176.723 176.300 -0.088 0.000 0.968 157 D CA 0.597 54.586 54.000 -0.018 0.000 0.882 157 D CB -0.058 40.714 40.800 -0.046 0.000 0.918 157 D HN 0.387 nan 8.370 nan 0.000 0.503 158 L N 0.806 122.082 121.223 0.088 0.000 2.325 158 L HA 0.321 4.661 4.340 0.000 0.000 0.278 158 L C 0.483 177.432 176.870 0.130 0.000 1.023 158 L CA -0.770 54.114 54.840 0.074 0.000 0.811 158 L CB 2.159 44.246 42.059 0.046 0.000 1.249 158 L HN -0.200 nan 8.230 nan 0.000 0.431 159 E N 1.993 122.265 120.200 0.120 0.000 2.331 159 E HA 0.568 4.918 4.350 0.000 0.000 0.272 159 E C -1.036 175.575 176.600 0.019 0.000 1.036 159 E CA -0.540 55.908 56.400 0.080 0.000 0.864 159 E CB 1.463 31.222 29.700 0.099 0.000 1.035 159 E HN 0.675 nan 8.360 nan 0.000 0.408 160 A N 4.850 127.660 122.820 -0.017 0.000 2.357 160 A HA 0.240 4.560 4.320 0.000 0.000 0.295 160 A C -1.156 176.511 177.584 0.138 0.000 1.121 160 A CA -0.699 51.326 52.037 -0.020 0.000 0.742 160 A CB 1.372 20.172 19.000 -0.333 0.000 1.181 160 A HN 0.653 nan 8.150 nan 0.000 0.454 161 Q N 3.964 123.895 119.800 0.219 0.000 2.341 161 Q HA 0.490 4.830 4.340 0.000 0.000 0.268 161 Q C -2.799 173.295 176.000 0.156 0.000 1.013 161 Q CA -2.020 53.883 55.803 0.166 0.000 0.798 161 Q CB 1.975 30.744 28.738 0.052 0.000 1.253 161 Q HN 0.386 nan 8.270 nan 0.000 0.457 162 P HA -0.059 nan 4.420 nan 0.000 0.265 162 P C -0.376 176.833 177.300 -0.151 0.000 1.193 162 P CA -0.014 62.912 63.100 -0.289 0.000 0.765 162 P CB 0.735 32.283 31.700 -0.253 0.000 0.823 163 L N 3.789 124.916 121.223 -0.161 0.000 2.586 163 L HA 0.458 4.798 4.340 0.000 0.000 0.204 163 L C -0.544 176.370 176.870 0.073 0.000 1.053 163 L CA 0.907 55.731 54.840 -0.026 0.000 0.856 163 L CB 0.033 42.100 42.059 0.013 0.000 1.192 163 L HN 0.283 nan 8.230 nan 0.000 0.484 164 Y N -0.627 119.588 120.300 -0.140 0.000 2.482 164 Y HA 0.557 5.107 4.550 0.000 0.000 0.334 164 Y C -1.463 174.363 175.900 -0.123 0.000 1.091 164 Y CA -1.517 56.523 58.100 -0.099 0.000 1.027 164 Y CB 1.555 39.982 38.460 -0.056 0.000 1.306 164 Y HN -0.285 nan 8.280 nan 0.000 0.446 165 V N 6.102 125.628 119.914 -0.646 0.000 2.348 165 V HA 0.383 4.503 4.120 0.000 0.000 0.270 165 V C 0.070 175.678 176.094 -0.811 0.000 1.037 165 V CA -0.169 61.805 62.300 -0.544 0.000 0.872 165 V CB 0.557 32.172 31.823 -0.347 0.000 1.002 165 V HN 0.799 nan 8.190 nan 0.000 0.464 166 S N 3.576 119.010 115.700 -0.443 0.000 2.693 166 S HA 0.581 5.051 4.470 0.000 0.000 0.276 166 S C -0.676 173.850 174.600 -0.122 0.000 1.192 166 S CA -0.826 57.237 58.200 -0.229 0.000 0.994 166 S CB 1.724 64.943 63.200 0.032 0.000 1.012 166 S HN 0.595 nan 8.310 nan 0.000 0.550 167 D N 0.040 120.428 120.400 -0.020 0.000 2.350 167 D HA 0.590 5.230 4.640 0.000 0.000 0.245 167 D C -0.964 175.352 176.300 0.027 0.000 1.036 167 D CA -0.406 53.595 54.000 0.000 0.000 0.848 167 D CB 1.883 42.698 40.800 0.026 0.000 1.307 167 D HN 0.391 nan 8.370 nan 0.000 0.469 168 V N 1.815 121.745 119.914 0.025 0.000 2.435 168 V HA 0.541 4.661 4.120 0.000 0.000 0.290 168 V C 0.051 176.163 176.094 0.029 0.000 1.030 168 V CA -0.725 61.599 62.300 0.039 0.000 0.881 168 V CB 1.595 33.446 31.823 0.046 0.000 0.983 168 V HN 0.430 nan 8.190 nan 0.000 0.445 169 V N 3.156 123.085 119.914 0.025 0.000 2.823 169 V HA 0.676 4.796 4.120 0.000 0.000 0.312 169 V C -0.504 175.588 176.094 -0.003 0.000 1.072 169 V CA -0.884 61.397 62.300 -0.031 0.000 0.937 169 V CB 1.946 33.685 31.823 -0.141 0.000 1.013 169 V HN 0.647 nan 8.190 nan 0.000 0.430 170 I N 3.349 123.915 120.570 -0.006 0.000 2.365 170 I HA 0.575 4.745 4.170 0.000 0.000 0.291 170 I C -0.474 175.603 176.117 -0.067 0.000 1.004 170 I CA -0.411 60.925 61.300 0.061 0.000 1.311 170 I CB 1.699 39.781 38.000 0.138 0.000 1.401 170 I HN 0.492 nan 8.210 nan 0.000 0.491 171 V N 4.999 124.888 119.914 -0.041 0.000 2.789 171 V HA 0.849 4.969 4.120 0.000 0.000 0.311 171 V C 0.223 176.256 176.094 -0.101 0.000 1.073 171 V CA -0.466 61.781 62.300 -0.089 0.000 0.921 171 V CB 1.791 33.612 31.823 -0.002 0.000 1.009 171 V HN 0.918 nan 8.190 nan 0.000 0.426 172 G N 2.237 110.972 108.800 -0.109 0.000 2.766 172 G HA2 0.615 4.575 3.960 0.000 0.000 0.288 172 G HA3 0.615 4.575 3.960 0.000 0.000 0.288 172 G C -0.980 173.927 174.900 0.010 0.000 1.408 172 G CA -0.763 44.266 45.100 -0.120 0.000 0.852 172 G HN 0.805 nan 8.290 nan 0.000 0.487 173 Q N -0.420 119.413 119.800 0.056 0.000 2.474 173 Q HA 0.242 4.582 4.340 0.000 0.000 0.256 173 Q C 1.510 177.555 176.000 0.075 0.000 1.048 173 Q CA -0.008 55.827 55.803 0.052 0.000 0.922 173 Q CB 1.151 29.904 28.738 0.025 0.000 1.288 173 Q HN 0.643 nan 8.270 nan 0.000 0.484 174 R N 0.526 121.060 120.500 0.057 0.000 2.117 174 R HA -0.199 4.141 4.340 0.000 0.000 0.243 174 R C 0.806 177.141 176.300 0.057 0.000 1.143 174 R CA 1.787 57.924 56.100 0.062 0.000 0.968 174 R CB 0.174 30.502 30.300 0.047 0.000 0.863 174 R HN 0.749 nan 8.270 nan 0.000 0.444 175 Q N -0.077 119.750 119.800 0.044 0.000 2.222 175 Q HA 0.020 4.360 4.340 0.000 0.000 0.206 175 Q C -0.486 175.531 176.000 0.029 0.000 0.877 175 Q CA -0.036 55.783 55.803 0.028 0.000 0.958 175 Q CB 0.220 28.959 28.738 0.002 0.000 1.075 175 Q HN 0.392 nan 8.270 nan 0.000 0.483 176 H N 2.266 121.320 119.070 -0.025 0.000 3.001 176 H HA -0.020 4.536 4.556 0.000 0.000 0.334 176 H C -1.490 173.817 175.328 -0.035 0.000 1.034 176 H CA -0.821 55.202 56.048 -0.041 0.000 1.420 176 H CB 1.197 30.924 29.762 -0.058 0.000 1.405 176 H HN -0.081 nan 8.280 nan 0.000 0.593 177 P HA -0.121 nan 4.420 nan 0.000 0.219 177 P C 1.028 178.372 177.300 0.073 0.000 1.146 177 P CA 1.118 64.171 63.100 -0.078 0.000 0.808 177 P CB 0.283 31.883 31.700 -0.166 0.000 0.779 178 M N -1.882 117.893 119.600 0.292 0.000 2.493 178 M HA 0.271 4.751 4.480 0.000 0.000 0.244 178 M C 1.528 177.888 176.300 0.099 0.000 1.182 178 M CA -0.633 54.777 55.300 0.184 0.000 0.981 178 M CB -1.259 31.443 32.600 0.171 0.000 1.551 178 M HN -0.139 nan 8.290 nan 0.000 0.476 179 A N 1.179 124.063 122.820 0.108 0.000 2.024 179 A HA -0.132 4.188 4.320 0.000 0.000 0.220 179 A C 1.749 179.346 177.584 0.022 0.000 1.164 179 A CA 1.504 53.569 52.037 0.047 0.000 0.643 179 A CB -0.412 18.624 19.000 0.061 0.000 0.806 179 A HN 0.496 nan 8.150 nan 0.000 0.451 180 N N -0.108 118.608 118.700 0.026 0.000 2.270 180 N HA 0.257 4.997 4.740 0.000 0.000 0.198 180 N C 0.447 175.962 175.510 0.008 0.000 1.117 180 N CA 0.657 53.716 53.050 0.015 0.000 0.845 180 N CB -0.061 38.436 38.487 0.016 0.000 0.980 180 N HN 0.456 nan 8.380 nan 0.000 0.486 181 A N 0.587 123.412 122.820 0.008 0.000 2.520 181 A HA 0.189 4.509 4.320 0.000 0.000 0.235 181 A C 1.429 179.006 177.584 -0.011 0.000 1.065 181 A CA 0.514 52.552 52.037 0.001 0.000 0.764 181 A CB 0.226 19.230 19.000 0.005 0.000 1.002 181 A HN 0.353 nan 8.150 nan 0.000 0.502 182 T N -0.933 113.611 114.554 -0.018 0.000 2.978 182 T HA 0.260 4.610 4.350 0.000 0.000 0.248 182 T C 0.666 175.336 174.700 -0.050 0.000 1.018 182 T CA -0.072 62.013 62.100 -0.026 0.000 1.026 182 T CB 0.180 69.037 68.868 -0.018 0.000 1.032 182 T HN 0.567 nan 8.240 nan 0.000 0.485 183 R N 0.525 120.989 120.500 -0.061 0.000 2.740 183 R HA 0.539 4.879 4.340 0.000 0.000 0.282 183 R C 0.468 176.684 176.300 -0.140 0.000 0.969 183 R CA -0.964 55.069 56.100 -0.112 0.000 0.918 183 R CB 1.719 31.964 30.300 -0.092 0.000 1.175 183 R HN 0.052 nan 8.270 nan 0.000 0.464 184 L N 2.759 123.826 121.223 -0.260 0.000 2.079 184 L HA -0.149 4.191 4.340 0.000 0.000 0.210 184 L C 2.003 178.714 176.870 -0.266 0.000 1.081 184 L CA 2.337 57.013 54.840 -0.274 0.000 0.752 184 L CB -0.560 41.193 42.059 -0.511 0.000 0.896 184 L HN 0.895 nan 8.230 nan 0.000 0.433 185 A N -0.884 121.783 122.820 -0.254 0.000 1.986 185 A HA -0.261 4.059 4.320 0.000 0.000 0.220 185 A C 2.095 179.624 177.584 -0.091 0.000 1.171 185 A CA 1.902 53.823 52.037 -0.192 0.000 0.640 185 A CB -0.646 18.283 19.000 -0.119 0.000 0.811 185 A HN 0.647 nan 8.150 nan 0.000 0.451 186 E N -0.462 119.706 120.200 -0.053 0.000 2.338 186 E HA -0.058 4.292 4.350 0.000 0.000 0.197 186 E C 1.071 177.702 176.600 0.052 0.000 1.007 186 E CA 0.648 57.048 56.400 0.000 0.000 0.849 186 E CB -0.172 29.528 29.700 -0.001 0.000 0.774 186 E HN 0.672 nan 8.360 nan 0.000 0.506 187 L N 0.954 122.232 121.223 0.093 0.000 2.640 187 L HA 0.052 4.392 4.340 0.000 0.000 0.230 187 L C 2.304 179.418 176.870 0.408 0.000 1.123 187 L CA -0.051 54.932 54.840 0.239 0.000 0.900 187 L CB -0.140 42.147 42.059 0.379 0.000 1.146 187 L HN 0.120 nan 8.230 nan 0.000 0.484 188 Q N 0.285 120.230 119.800 0.242 0.000 2.364 188 Q HA -0.159 4.181 4.340 0.000 0.000 0.209 188 Q C 0.890 177.155 176.000 0.442 0.000 0.977 188 Q CA 1.162 57.181 55.803 0.360 0.000 0.885 188 Q CB 0.069 28.846 28.738 0.065 0.000 0.941 188 Q HN 0.425 nan 8.270 nan 0.000 0.464 189 E N 0.134 120.504 120.200 0.283 0.000 2.481 189 E HA 0.125 4.475 4.350 0.000 0.000 0.198 189 E C 0.294 176.997 176.600 0.172 0.000 1.027 189 E CA -0.094 56.430 56.400 0.207 0.000 0.900 189 E CB 0.338 30.110 29.700 0.121 0.000 0.993 189 E HN 0.292 nan 8.360 nan 0.000 0.482 190 C N 1.755 121.164 119.300 0.182 0.000 2.705 190 C HA 0.207 4.667 4.460 0.000 0.000 0.382 190 C C 1.098 176.040 174.990 -0.079 0.000 1.322 190 C CA -0.354 58.654 59.018 -0.015 0.000 2.290 190 C CB 0.065 27.673 27.740 -0.219 0.000 2.650 190 C HN 0.174 nan 8.230 nan 0.000 0.695 191 R N 0.202 120.588 120.500 -0.189 0.000 2.428 191 R HA 0.367 4.707 4.340 0.000 0.000 0.294 191 R C -1.494 174.602 176.300 -0.340 0.000 1.000 191 R CA -0.112 55.906 56.100 -0.137 0.000 0.960 191 R CB 1.064 31.321 30.300 -0.071 0.000 1.076 191 R HN 0.685 nan 8.270 nan 0.000 0.475 192 W N 0.379 121.647 121.300 -0.053 0.000 2.632 192 W HA 0.469 5.129 4.660 0.000 0.000 0.328 192 W C -0.264 176.224 176.519 -0.051 0.000 1.044 192 W CA -0.649 56.694 57.345 -0.004 0.000 1.225 192 W CB 1.691 31.227 29.460 0.126 0.000 1.396 192 W HN 0.576 nan 8.180 nan 0.000 0.499 193 A N 3.797 126.754 122.820 0.229 0.000 2.343 193 A HA 0.436 4.756 4.320 0.000 0.000 0.305 193 A C -0.952 176.837 177.584 0.343 0.000 1.308 193 A CA -0.442 51.695 52.037 0.167 0.000 0.949 193 A CB -0.438 18.615 19.000 0.089 0.000 1.148 193 A HN 0.431 nan 8.150 nan 0.000 0.545 194 F N 2.799 122.787 119.950 0.063 0.000 2.502 194 F HA 0.213 4.740 4.527 -0.000 0.000 0.371 194 F C 1.353 177.132 175.800 -0.036 0.000 1.083 194 F CA -0.349 57.659 58.000 0.013 0.000 1.174 194 F CB 0.404 39.393 39.000 -0.019 0.000 1.096 194 F HN 0.623 nan 8.300 nan 0.000 0.545 195 S N 1.654 117.418 115.700 0.106 0.000 2.713 195 S HA 0.586 5.056 4.470 0.000 0.000 0.283 195 S C 0.007 174.562 174.600 -0.076 0.000 1.161 195 S CA -0.985 57.171 58.200 -0.074 0.000 0.999 195 S CB 1.313 64.493 63.200 -0.033 0.000 1.039 195 S HN 0.384 nan 8.310 nan 0.000 0.548 196 S N 0.665 116.236 115.700 -0.214 0.000 2.576 196 S HA 0.667 5.137 4.470 0.000 0.000 0.276 196 S C 0.041 174.744 174.600 0.173 0.000 1.339 196 S CA -0.125 58.066 58.200 -0.015 0.000 1.039 196 S CB 0.478 63.666 63.200 -0.020 0.000 0.902 196 S HN 1.208 nan 8.310 nan 0.000 0.516 197 A N 3.414 126.310 122.820 0.126 0.000 2.604 197 A HA 0.686 5.006 4.320 0.000 0.000 0.295 197 A C -2.573 175.092 177.584 0.135 0.000 1.067 197 A CA -1.330 50.793 52.037 0.144 0.000 0.683 197 A CB 0.386 19.446 19.000 0.100 0.000 1.281 197 A HN 0.485 nan 8.150 nan 0.000 0.407 198 P HA -0.156 nan 4.420 nan 0.000 0.217 198 P C 1.022 178.427 177.300 0.176 0.000 1.151 198 P CA 1.435 64.665 63.100 0.216 0.000 0.849 198 P CB 0.147 32.020 31.700 0.288 0.000 0.787 199 R N -1.338 119.257 120.500 0.158 0.000 2.320 199 R HA 0.381 4.721 4.340 0.000 0.000 0.211 199 R C 0.685 176.996 176.300 0.019 0.000 0.931 199 R CA 0.352 56.497 56.100 0.075 0.000 1.071 199 R CB -0.021 30.298 30.300 0.033 0.000 1.025 199 R HN 0.215 nan 8.270 nan 0.000 0.495 200 G N 1.023 109.836 108.800 0.021 0.000 2.440 200 G HA2 -0.126 3.834 3.960 0.000 0.000 0.684 200 G HA3 -0.126 3.834 3.960 0.000 0.000 0.684 200 G C -3.003 171.879 174.900 -0.030 0.000 1.309 200 G CA -1.420 43.678 45.100 -0.003 0.000 0.931 200 G HN -0.166 nan 8.290 nan 0.000 0.612 201 P HA 0.371 nan 4.420 nan 0.000 0.264 201 P C 1.151 178.335 177.300 -0.193 0.000 1.193 201 P CA 1.965 65.055 63.100 -0.016 0.000 0.763 201 P CB 0.765 32.518 31.700 0.089 0.000 0.810 202 G N 2.821 111.424 108.800 -0.328 0.000 2.168 202 G HA2 -0.348 3.612 3.960 0.000 0.000 0.263 202 G HA3 -0.348 3.612 3.960 0.000 0.000 0.263 202 G C 1.177 175.668 174.900 -0.682 0.000 0.977 202 G CA 0.469 45.032 45.100 -0.896 0.000 0.659 202 G HN 0.683 nan 8.290 nan 0.000 0.533 203 A N -0.074 122.542 122.820 -0.340 0.000 1.940 203 A HA 0.144 4.464 4.320 0.000 0.000 0.219 203 A C 2.371 179.841 177.584 -0.190 0.000 1.176 203 A CA 1.852 53.752 52.037 -0.227 0.000 0.631 203 A CB -0.304 18.644 19.000 -0.087 0.000 0.814 203 A HN 0.790 nan 8.150 nan 0.000 0.446 204 I N -1.139 119.343 120.570 -0.147 0.000 2.179 204 I HA -0.218 3.952 4.170 0.000 0.000 0.242 204 I C 2.333 178.355 176.117 -0.158 0.000 1.088 204 I CA 1.388 62.635 61.300 -0.088 0.000 1.357 204 I CB -0.240 37.747 38.000 -0.021 0.000 1.051 204 I HN 0.348 nan 8.210 nan 0.000 0.409 205 I N 0.777 121.158 120.570 -0.315 0.000 2.439 205 I HA -0.175 3.995 4.170 0.000 0.000 0.251 205 I C 2.555 178.399 176.117 -0.455 0.000 1.139 205 I CA 1.420 62.445 61.300 -0.459 0.000 1.438 205 I CB -0.409 37.056 38.000 -0.892 0.000 1.085 205 I HN 0.034 nan 8.210 nan 0.000 0.427 206 R N 0.179 120.394 120.500 -0.476 0.000 2.075 206 R HA -0.098 4.242 4.340 0.000 0.000 0.232 206 R C 1.945 178.176 176.300 -0.115 0.000 1.126 206 R CA 1.498 57.399 56.100 -0.332 0.000 0.963 206 R CB -0.505 29.587 30.300 -0.347 0.000 0.858 206 R HN 0.402 nan 8.270 nan 0.000 0.435 207 N N 0.683 119.320 118.700 -0.105 0.000 2.244 207 N HA -0.091 4.649 4.740 0.000 0.000 0.183 207 N C 1.600 177.132 175.510 0.037 0.000 1.016 207 N CA 1.273 54.302 53.050 -0.035 0.000 0.866 207 N CB -0.162 38.294 38.487 -0.052 0.000 0.980 207 N HN 0.210 nan 8.380 nan 0.000 0.430 208 A N 0.703 123.568 122.820 0.075 0.000 1.873 208 A HA -0.062 4.258 4.320 0.000 0.000 0.215 208 A C 1.966 179.742 177.584 0.320 0.000 1.186 208 A CA 0.828 52.989 52.037 0.208 0.000 0.616 208 A CB -0.823 18.289 19.000 0.187 0.000 0.823 208 A HN 0.094 nan 8.150 nan 0.000 0.442 209 F N 0.424 120.366 119.950 -0.013 0.000 2.095 209 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 209 F C 2.837 178.662 175.800 0.042 0.000 1.104 209 F CA 0.845 58.851 58.000 0.011 0.000 1.232 209 F CB -0.869 38.092 39.000 -0.064 0.000 0.987 209 F HN 0.268 nan 8.300 nan 0.000 0.475 210 A N -0.116 122.817 122.820 0.188 0.000 1.877 210 A HA -0.209 4.112 4.320 0.000 0.000 0.216 210 A C 2.355 179.960 177.584 0.035 0.000 1.186 210 A CA 1.744 53.833 52.037 0.086 0.000 0.620 210 A CB -0.689 18.334 19.000 0.037 0.000 0.822 210 A HN 0.333 nan 8.150 nan 0.000 0.443 211 R N -2.190 118.314 120.500 0.008 0.000 2.148 211 R HA -0.095 4.245 4.340 0.000 0.000 0.227 211 R C 1.054 177.238 176.300 -0.195 0.000 1.103 211 R CA 1.331 57.363 56.100 -0.114 0.000 0.983 211 R CB -0.297 29.895 30.300 -0.181 0.000 0.874 211 R HN 0.660 nan 8.270 nan 0.000 0.451 212 Y N -0.232 120.044 120.300 -0.040 0.000 2.462 212 Y HA 0.159 4.709 4.550 0.000 0.000 0.293 212 Y C 1.407 177.263 175.900 -0.073 0.000 1.195 212 Y CA 0.533 58.593 58.100 -0.067 0.000 1.276 212 Y CB 0.529 38.924 38.460 -0.107 0.000 1.082 212 Y HN 0.257 nan 8.280 nan 0.000 0.514 213 G N 0.375 109.198 108.800 0.039 0.000 2.143 213 G HA2 -0.282 3.678 3.960 0.000 0.000 0.248 213 G HA3 -0.282 3.678 3.960 0.000 0.000 0.248 213 G C -0.036 174.876 174.900 0.020 0.000 0.991 213 G CA 0.160 45.273 45.100 0.020 0.000 0.689 213 G HN 0.290 nan 8.290 nan 0.000 0.522 214 L N 0.186 121.418 121.223 0.015 0.000 2.387 214 L HA 0.575 4.915 4.340 0.000 0.000 0.266 214 L C -1.239 175.698 176.870 0.113 0.000 1.059 214 L CA -2.471 52.368 54.840 -0.001 0.000 0.801 214 L CB 0.566 42.486 42.059 -0.233 0.000 1.223 214 L HN -0.090 nan 8.230 nan 0.000 0.456 215 P HA 0.052 nan 4.420 nan 0.000 0.275 215 P C -0.714 176.747 177.300 0.269 0.000 1.270 215 P CA -0.548 62.657 63.100 0.174 0.000 0.791 215 P CB 0.303 32.094 31.700 0.153 0.000 1.089 216 E N 1.072 121.374 120.200 0.171 0.000 2.442 216 E HA 0.043 4.393 4.350 0.000 0.000 0.262 216 E C -1.821 174.839 176.600 0.099 0.000 1.004 216 E CA -0.924 55.545 56.400 0.115 0.000 0.928 216 E CB -0.602 29.145 29.700 0.078 0.000 0.937 216 E HN 0.347 nan 8.360 nan 0.000 0.446 217 P HA 0.038 nan 4.420 nan 0.000 0.272 217 P C -0.577 176.736 177.300 0.021 0.000 1.223 217 P CA -0.001 62.839 63.100 -0.434 0.000 0.784 217 P CB 0.643 31.586 31.700 -1.262 0.000 0.923 218 K N 1.716 122.228 120.400 0.186 0.000 2.297 218 K HA 0.250 4.570 4.320 0.000 0.000 0.286 218 K C 0.005 176.640 176.600 0.057 0.000 1.053 218 K CA -0.823 55.544 56.287 0.134 0.000 0.940 218 K CB 0.358 32.945 32.500 0.146 0.000 1.019 218 K HN 0.335 nan 8.250 nan 0.000 0.475 219 L N 3.365 124.490 121.223 -0.164 0.000 2.315 219 L HA 0.173 4.513 4.340 0.000 0.000 0.283 219 L C 0.933 177.643 176.870 -0.266 0.000 1.089 219 L CA 0.676 55.224 54.840 -0.487 0.000 0.833 219 L CB 0.795 42.481 42.059 -0.622 0.000 1.170 219 L HN 0.809 nan 8.230 nan 0.000 0.442 220 G N 5.492 114.155 108.800 -0.227 0.000 2.524 220 G HA2 0.300 4.260 3.960 0.000 0.000 0.210 220 G HA3 0.300 4.260 3.960 0.000 0.000 0.210 220 G C -0.090 174.724 174.900 -0.142 0.000 1.187 220 G CA 0.846 45.867 45.100 -0.132 0.000 0.825 220 G HN 0.657 nan 8.290 nan 0.000 0.558 221 L N -3.031 118.095 121.223 -0.162 0.000 2.765 221 L HA 0.774 5.114 4.340 0.000 0.000 0.263 221 L C -1.254 175.543 176.870 -0.122 0.000 1.068 221 L CA -1.369 53.393 54.840 -0.131 0.000 0.903 221 L CB 1.758 43.774 42.059 -0.072 0.000 1.512 221 L HN -0.154 nan 8.230 nan 0.000 0.404 222 V N 0.520 120.394 119.914 -0.067 0.000 2.370 222 V HA 0.492 4.612 4.120 0.000 0.000 0.283 222 V C -0.554 175.534 176.094 -0.010 0.000 1.023 222 V CA -0.261 62.043 62.300 0.007 0.000 0.857 222 V CB 1.236 33.076 31.823 0.027 0.000 0.985 222 V HN 0.925 nan 8.190 nan 0.000 0.443 223 C N 5.016 124.308 119.300 -0.014 0.000 2.362 223 C HA 0.438 4.898 4.460 0.000 0.000 0.309 223 C C 1.292 176.191 174.990 -0.152 0.000 1.110 223 C CA -0.422 58.554 59.018 -0.069 0.000 1.485 223 C CB -0.259 27.442 27.740 -0.065 0.000 1.949 223 C HN 1.042 nan 8.230 nan 0.000 0.419 224 E N 1.664 121.785 120.200 -0.131 0.000 2.358 224 E HA -0.039 4.311 4.350 0.000 0.000 0.195 224 E C 0.891 177.346 176.600 -0.241 0.000 1.010 224 E CA 0.316 56.608 56.400 -0.179 0.000 0.856 224 E CB 0.288 29.938 29.700 -0.083 0.000 0.795 224 E HN 0.632 nan 8.360 nan 0.000 0.504 225 S N 0.005 115.602 115.700 -0.173 0.000 2.422 225 S HA 0.093 4.563 4.470 0.000 0.000 0.283 225 S C 0.399 174.924 174.600 -0.125 0.000 1.163 225 S CA -0.544 57.596 58.200 -0.100 0.000 1.054 225 S CB 0.083 63.264 63.200 -0.030 0.000 0.967 225 S HN 0.050 nan 8.310 nan 0.000 0.499 226 F N 3.924 123.902 119.950 0.047 0.000 2.407 226 F HA 0.065 4.592 4.527 -0.000 0.000 0.299 226 F C 1.732 177.567 175.800 0.058 0.000 1.097 226 F CA 0.330 58.363 58.000 0.056 0.000 1.422 226 F CB -0.317 38.719 39.000 0.060 0.000 1.067 226 F HN 0.583 nan 8.300 nan 0.000 0.539 227 L N 0.371 121.717 121.223 0.204 0.000 2.046 227 L HA -0.098 4.242 4.340 0.000 0.000 0.208 227 L C 2.306 179.252 176.870 0.127 0.000 1.077 227 L CA 2.087 57.018 54.840 0.151 0.000 0.747 227 L CB -0.981 41.143 42.059 0.108 0.000 0.896 227 L HN 0.029 nan 8.230 nan 0.000 0.432 228 A N -1.202 121.663 122.820 0.076 0.000 2.021 228 A HA -0.043 4.277 4.320 0.000 0.000 0.216 228 A C 2.135 179.719 177.584 0.000 0.000 1.163 228 A CA 1.124 53.179 52.037 0.031 0.000 0.676 228 A CB -0.762 18.239 19.000 0.001 0.000 0.818 228 A HN 0.452 nan 8.150 nan 0.000 0.453 229 L N 0.699 121.941 121.223 0.032 0.000 1.989 229 L HA -0.075 4.265 4.340 0.000 0.000 0.211 229 L C -0.752 176.123 176.870 0.008 0.000 1.071 229 L CA 2.530 57.385 54.840 0.025 0.000 0.749 229 L CB -1.172 40.932 42.059 0.075 0.000 0.890 229 L HN 0.161 nan 8.230 nan 0.000 0.431 230 P HA -0.111 nan 4.420 nan 0.000 0.215 230 P C 1.617 178.741 177.300 -0.294 0.000 1.157 230 P CA 1.860 64.970 63.100 0.017 0.000 0.868 230 P CB -0.426 31.376 31.700 0.170 0.000 0.788 231 G N -0.374 108.024 108.800 -0.670 0.000 2.418 231 G HA2 -0.224 3.736 3.960 0.000 0.000 0.217 231 G HA3 -0.224 3.736 3.960 0.000 0.000 0.217 231 G C 1.646 176.256 174.900 -0.485 0.000 1.158 231 G CA 0.703 44.970 45.100 -1.389 0.000 0.771 231 G HN 0.143 nan 8.290 nan 0.000 0.545 232 V N 0.578 120.346 119.914 -0.243 0.000 2.287 232 V HA -0.195 3.925 4.120 0.000 0.000 0.248 232 V C 3.045 179.095 176.094 -0.073 0.000 1.053 232 V CA 1.663 63.902 62.300 -0.102 0.000 1.027 232 V CB -0.491 31.293 31.823 -0.066 0.000 0.646 232 V HN 0.255 nan 8.190 nan 0.000 0.447 233 V N 0.236 120.099 119.914 -0.085 0.000 2.358 233 V HA -0.227 3.893 4.120 0.000 0.000 0.246 233 V C 2.685 178.731 176.094 -0.080 0.000 1.047 233 V CA 1.874 64.141 62.300 -0.055 0.000 1.035 233 V CB -1.135 30.676 31.823 -0.020 0.000 0.658 233 V HN 0.563 nan 8.190 nan 0.000 0.452 234 A N -1.267 121.452 122.820 -0.168 0.000 2.019 234 A HA -0.211 4.109 4.320 0.000 0.000 0.219 234 A C 1.821 179.195 177.584 -0.349 0.000 1.164 234 A CA 1.496 53.393 52.037 -0.234 0.000 0.644 234 A CB -0.558 18.268 19.000 -0.291 0.000 0.805 234 A HN 0.702 nan 8.150 nan 0.000 0.449 235 H N -0.678 118.343 119.070 -0.082 0.000 2.487 235 H HA 0.269 4.825 4.556 0.000 0.000 0.290 235 H C 0.253 175.559 175.328 -0.036 0.000 1.081 235 H CA 0.654 56.676 56.048 -0.042 0.000 1.116 235 H CB -0.001 29.731 29.762 -0.050 0.000 1.560 235 H HN 0.632 nan 8.280 nan 0.000 0.548 236 S N -0.953 114.761 115.700 0.022 0.000 2.794 236 S HA 0.240 4.710 4.470 0.000 0.000 0.299 236 S C -0.037 174.566 174.600 0.005 0.000 1.179 236 S CA -0.836 57.370 58.200 0.010 0.000 0.838 236 S CB 2.258 65.457 63.200 -0.001 0.000 1.206 236 S HN -0.052 nan 8.310 nan 0.000 0.523 237 D N 0.456 120.854 120.400 -0.004 0.000 2.368 237 D HA 0.349 4.989 4.640 0.000 0.000 0.218 237 D C -0.022 176.324 176.300 0.078 0.000 1.112 237 D CA 0.027 54.038 54.000 0.019 0.000 0.834 237 D CB -0.021 40.722 40.800 -0.095 0.000 0.953 237 D HN 0.393 nan 8.370 nan 0.000 0.505 238 L N 0.942 122.159 121.223 -0.009 0.000 2.439 238 L HA 0.219 4.559 4.340 0.000 0.000 0.269 238 L C 0.608 177.364 176.870 -0.189 0.000 1.179 238 L CA -0.182 54.599 54.840 -0.099 0.000 0.828 238 L CB 0.925 42.943 42.059 -0.067 0.000 1.106 238 L HN -0.259 nan 8.230 nan 0.000 0.467 239 L N 1.563 122.517 121.223 -0.449 0.000 2.375 239 L HA 0.611 4.951 4.340 0.000 0.000 0.268 239 L C 0.196 176.976 176.870 -0.150 0.000 1.058 239 L CA -0.188 54.317 54.840 -0.559 0.000 0.803 239 L CB 1.786 43.097 42.059 -1.247 0.000 1.212 239 L HN 0.595 nan 8.230 nan 0.000 0.451 240 T N -0.483 114.128 114.554 0.096 0.000 2.812 240 T HA 0.558 4.908 4.350 0.000 0.000 0.294 240 T C -0.905 174.022 174.700 0.379 0.000 1.159 240 T CA -0.380 61.931 62.100 0.352 0.000 1.008 240 T CB 1.903 70.897 68.868 0.211 0.000 1.289 240 T HN 0.764 nan 8.240 nan 0.000 0.514 241 T N 0.696 115.439 114.554 0.314 0.000 2.885 241 T HA 0.798 5.148 4.350 0.000 0.000 0.285 241 T C -0.296 174.550 174.700 0.245 0.000 1.019 241 T CA -0.860 61.374 62.100 0.223 0.000 1.010 241 T CB 1.173 70.128 68.868 0.144 0.000 1.022 241 T HN 0.896 nan 8.240 nan 0.000 0.466 242 M N -0.144 119.576 119.600 0.201 0.000 2.578 242 M HA 0.649 5.129 4.480 0.000 0.000 0.276 242 M C -3.301 173.058 176.300 0.098 0.000 1.245 242 M CA -2.320 53.113 55.300 0.221 0.000 0.871 242 M CB 1.703 34.462 32.600 0.266 0.000 1.722 242 M HN 0.216 nan 8.290 nan 0.000 0.473 243 P HA 0.126 nan 4.420 nan 0.000 0.266 243 P C -0.150 177.195 177.300 0.075 0.000 1.195 243 P CA -0.049 63.054 63.100 0.006 0.000 0.768 243 P CB 0.557 32.208 31.700 -0.083 0.000 0.838 244 R N 1.836 122.398 120.500 0.102 0.000 2.105 244 R HA -0.138 4.202 4.340 0.000 0.000 0.239 244 R C 1.420 177.823 176.300 0.172 0.000 1.135 244 R CA 2.020 58.217 56.100 0.162 0.000 0.967 244 R CB -0.741 29.643 30.300 0.140 0.000 0.861 244 R HN 0.423 nan 8.270 nan 0.000 0.442 245 T N 1.604 116.225 114.554 0.111 0.000 2.720 245 T HA -0.185 4.165 4.350 0.000 0.000 0.268 245 T C 1.613 176.344 174.700 0.052 0.000 1.037 245 T CA 1.385 63.524 62.100 0.065 0.000 1.144 245 T CB -0.231 68.650 68.868 0.022 0.000 0.864 245 T HN 0.177 nan 8.240 nan 0.000 0.444 246 L N 0.301 121.555 121.223 0.052 0.000 2.093 246 L HA 0.005 4.345 4.340 0.000 0.000 0.208 246 L C 2.127 179.076 176.870 0.132 0.000 1.085 246 L CA 1.564 56.443 54.840 0.065 0.000 0.755 246 L CB -0.890 41.188 42.059 0.031 0.000 0.904 246 L HN 0.291 nan 8.230 nan 0.000 0.435 247 Y N 0.756 121.086 120.300 0.050 0.000 2.165 247 Y HA -0.238 4.312 4.550 0.000 0.000 0.286 247 Y C 2.309 178.242 175.900 0.054 0.000 1.155 247 Y CA 2.208 60.345 58.100 0.061 0.000 1.164 247 Y CB -0.204 38.291 38.460 0.058 0.000 0.978 247 Y HN 0.410 nan 8.280 nan 0.000 0.513 248 E N -0.147 120.000 120.200 -0.089 0.000 2.285 248 E HA -0.037 4.313 4.350 0.000 0.000 0.194 248 E C 0.369 176.899 176.600 -0.116 0.000 0.997 248 E CA 0.526 56.829 56.400 -0.161 0.000 0.845 248 E CB 0.087 29.770 29.700 -0.028 0.000 0.782 248 E HN 0.333 nan 8.360 nan 0.000 0.491 249 R N 1.352 121.821 120.500 -0.052 0.000 2.585 249 R HA 0.214 4.555 4.340 0.000 0.000 0.278 249 R C -1.077 175.229 176.300 0.009 0.000 1.663 249 R CA -0.322 55.763 56.100 -0.026 0.000 1.592 249 R CB 0.371 30.663 30.300 -0.013 0.000 1.200 249 R HN 0.143 nan 8.270 nan 0.000 0.611 250 N N -1.586 117.121 118.700 0.012 0.000 2.732 250 N HA 0.334 5.074 4.740 0.000 0.000 0.259 250 N C -0.121 175.423 175.510 0.057 0.000 1.402 250 N CA -0.915 52.183 53.050 0.080 0.000 0.829 250 N CB 1.187 39.764 38.487 0.150 0.000 1.495 250 N HN 0.019 nan 8.380 nan 0.000 0.511 251 A N -0.694 122.178 122.820 0.087 0.000 2.238 251 A HA 0.269 4.589 4.320 0.000 0.000 0.208 251 A C -0.028 177.340 177.584 -0.360 0.000 1.177 251 A CA 0.314 52.262 52.037 -0.148 0.000 0.804 251 A CB -0.846 18.005 19.000 -0.248 0.000 0.823 251 A HN 0.560 nan 8.150 nan 0.000 0.482 252 F N -0.571 119.386 119.950 0.012 0.000 2.791 252 F HA 0.264 4.791 4.527 0.000 0.000 0.308 252 F C 1.489 177.280 175.800 -0.016 0.000 1.138 252 F CA -0.398 57.608 58.000 0.010 0.000 1.294 252 F CB 0.425 39.443 39.000 0.030 0.000 0.975 252 F HN 0.032 nan 8.300 nan 0.000 0.512 253 K N 0.259 120.690 120.400 0.051 0.000 2.063 253 K HA -0.175 4.145 4.320 0.000 0.000 0.208 253 K C 1.110 177.708 176.600 -0.004 0.000 1.048 253 K CA 1.674 57.944 56.287 -0.028 0.000 0.928 253 K CB -0.105 32.334 32.500 -0.101 0.000 0.713 253 K HN 0.166 nan 8.250 nan 0.000 0.442 254 D N 0.810 121.211 120.400 0.001 0.000 2.309 254 D HA -0.133 4.508 4.640 0.000 0.000 0.212 254 D C 1.097 177.419 176.300 0.037 0.000 0.968 254 D CA 1.186 55.192 54.000 0.010 0.000 0.882 254 D CB 0.080 40.877 40.800 -0.004 0.000 0.918 254 D HN 0.347 nan 8.370 nan 0.000 0.503 255 Q N -0.601 119.241 119.800 0.070 0.000 2.194 255 Q HA 0.310 4.650 4.340 0.000 0.000 0.214 255 Q C -0.038 176.005 176.000 0.071 0.000 0.838 255 Q CA -0.009 55.831 55.803 0.062 0.000 0.972 255 Q CB 1.264 30.041 28.738 0.065 0.000 1.131 255 Q HN 0.153 nan 8.270 nan 0.000 0.498 256 L N -0.375 120.914 121.223 0.111 0.000 2.388 256 L HA 0.602 4.942 4.340 0.000 0.000 0.264 256 L C -1.060 175.947 176.870 0.230 0.000 0.998 256 L CA -0.977 53.962 54.840 0.166 0.000 0.817 256 L CB 2.431 44.632 42.059 0.236 0.000 1.338 256 L HN -0.048 nan 8.230 nan 0.000 0.414 257 C N 0.758 120.185 119.300 0.211 0.000 2.535 257 C HA 0.508 4.968 4.460 0.000 0.000 0.319 257 C C 0.322 175.331 174.990 0.032 0.000 1.171 257 C CA -0.930 58.207 59.018 0.198 0.000 1.394 257 C CB 1.850 29.654 27.740 0.107 0.000 1.990 257 C HN 0.893 nan 8.230 nan 0.000 0.466 258 S N 2.778 118.373 115.700 -0.175 0.000 2.593 258 S HA 0.642 5.112 4.470 0.000 0.000 0.269 258 S C -0.571 173.928 174.600 -0.168 0.000 1.334 258 S CA -0.273 57.671 58.200 -0.426 0.000 1.015 258 S CB 0.373 63.096 63.200 -0.795 0.000 0.912 258 S HN 0.596 nan 8.310 nan 0.000 0.541 259 I N 2.665 123.148 120.570 -0.144 0.000 2.388 259 I HA 0.289 4.459 4.170 0.000 0.000 0.281 259 I C -2.192 173.889 176.117 -0.060 0.000 1.046 259 I CA -2.214 59.040 61.300 -0.077 0.000 1.187 259 I CB 1.430 39.387 38.000 -0.072 0.000 1.351 259 I HN 0.511 nan 8.210 nan 0.000 0.472 260 P HA 0.200 nan 4.420 nan 0.000 0.252 260 P C -0.192 177.094 177.300 -0.023 0.000 1.727 260 P CA -0.110 62.971 63.100 -0.032 0.000 1.134 260 P CB 0.074 31.764 31.700 -0.018 0.000 1.876 261 L N 2.001 123.207 121.223 -0.028 0.000 2.483 261 L HA 0.053 4.393 4.340 0.000 0.000 0.276 261 L C 1.998 178.849 176.870 -0.031 0.000 1.213 261 L CA 0.039 54.857 54.840 -0.037 0.000 0.843 261 L CB 0.184 42.207 42.059 -0.059 0.000 1.107 261 L HN 0.262 nan 8.230 nan 0.000 0.487 262 Q N 0.241 120.022 119.800 -0.032 0.000 2.435 262 Q HA -0.037 4.303 4.340 0.000 0.000 0.207 262 Q C -0.483 175.508 176.000 -0.016 0.000 0.956 262 Q CA 0.400 56.192 55.803 -0.017 0.000 0.917 262 Q CB 0.211 28.943 28.738 -0.010 0.000 0.997 262 Q HN 0.560 nan 8.270 nan 0.000 0.497 263 D N 0.808 121.167 120.400 -0.069 0.000 2.317 263 D HA 0.239 4.879 4.640 0.000 0.000 0.252 263 D C -0.550 175.743 176.300 -0.011 0.000 1.174 263 D CA 0.048 53.990 54.000 -0.096 0.000 0.866 263 D CB 1.105 41.614 40.800 -0.485 0.000 1.127 263 D HN 0.116 nan 8.370 nan 0.000 0.467 264 A N 3.343 126.243 122.820 0.134 0.000 2.425 264 A HA 0.423 4.743 4.320 0.000 0.000 0.249 264 A C 0.183 177.859 177.584 0.153 0.000 1.084 264 A CA -0.254 51.852 52.037 0.116 0.000 0.781 264 A CB 0.290 19.354 19.000 0.106 0.000 1.019 264 A HN 0.593 nan 8.150 nan 0.000 0.490 265 L N 2.093 123.369 121.223 0.090 0.000 2.332 265 L HA 0.467 4.807 4.340 0.000 0.000 0.269 265 L C -2.024 174.887 176.870 0.068 0.000 1.016 265 L CA -2.105 52.791 54.840 0.092 0.000 0.809 265 L CB 0.925 43.020 42.059 0.060 0.000 1.280 265 L HN 0.472 nan 8.230 nan 0.000 0.447 266 P HA 0.169 nan 4.420 nan 0.000 0.272 266 P C -1.361 175.953 177.300 0.023 0.000 1.240 266 P CA -0.362 62.766 63.100 0.047 0.000 0.791 266 P CB 0.354 32.093 31.700 0.065 0.000 0.978 267 N N 0.877 119.579 118.700 0.003 0.000 2.706 267 N HA 0.315 5.055 4.740 0.000 0.000 0.240 267 N C -2.625 172.858 175.510 -0.045 0.000 1.039 267 N CA -1.254 51.776 53.050 -0.034 0.000 0.888 267 N CB 0.259 38.708 38.487 -0.063 0.000 1.128 267 N HN 0.248 nan 8.380 nan 0.000 0.512 268 P HA 0.074 nan 4.420 nan 0.000 0.271 268 P C -0.537 176.712 177.300 -0.085 0.000 1.216 268 P CA -0.008 63.063 63.100 -0.048 0.000 0.771 268 P CB 0.643 32.325 31.700 -0.030 0.000 0.864 269 T N 4.431 118.928 114.554 -0.095 0.000 2.761 269 T HA 0.327 4.677 4.350 0.000 0.000 0.296 269 T C 0.615 175.201 174.700 -0.190 0.000 0.934 269 T CA -0.182 61.791 62.100 -0.212 0.000 1.091 269 T CB -0.123 68.544 68.868 -0.334 0.000 0.896 269 T HN 0.195 nan 8.240 nan 0.000 0.515 270 I N 3.886 124.354 120.570 -0.171 0.000 2.371 270 I HA 0.297 4.467 4.170 0.000 0.000 0.290 270 I C -0.447 175.567 176.117 -0.172 0.000 1.028 270 I CA -0.511 60.763 61.300 -0.044 0.000 1.345 270 I CB 0.375 38.424 38.000 0.081 0.000 1.407 270 I HN 0.580 nan 8.210 nan 0.000 0.501 271 Y N 4.380 124.692 120.300 0.020 0.000 2.487 271 Y HA 0.462 5.012 4.550 0.000 0.000 0.337 271 Y C 0.019 175.942 175.900 0.038 0.000 1.076 271 Y CA -1.026 57.078 58.100 0.008 0.000 1.115 271 Y CB 1.695 40.135 38.460 -0.035 0.000 1.235 271 Y HN 0.129 nan 8.280 nan 0.000 0.468 272 V N 4.724 124.753 119.914 0.193 0.000 2.408 272 V HA 0.208 4.328 4.120 0.000 0.000 0.267 272 V C -0.154 176.030 176.094 0.149 0.000 1.047 272 V CA -0.413 61.970 62.300 0.137 0.000 0.937 272 V CB -0.166 31.655 31.823 -0.005 0.000 0.999 272 V HN 0.493 nan 8.190 nan 0.000 0.472 273 L N 7.075 128.403 121.223 0.175 0.000 2.334 273 L HA 0.870 5.210 4.340 0.000 0.000 0.276 273 L C 0.104 177.073 176.870 0.166 0.000 1.014 273 L CA -0.668 54.245 54.840 0.122 0.000 0.815 273 L CB 1.786 43.898 42.059 0.089 0.000 1.268 273 L HN 0.811 nan 8.230 nan 0.000 0.428 274 R N 1.137 121.709 120.500 0.120 0.000 2.774 274 R HA 0.422 4.762 4.340 0.000 0.000 0.279 274 R C -1.485 174.857 176.300 0.070 0.000 1.022 274 R CA -1.174 55.002 56.100 0.127 0.000 0.855 274 R CB 1.170 31.565 30.300 0.158 0.000 1.279 274 R HN 0.443 nan 8.270 nan 0.000 0.485 275 R N 1.103 121.626 120.500 0.039 0.000 2.449 275 R HA 0.064 4.404 4.340 0.000 0.000 0.296 275 R C 0.805 177.077 176.300 -0.047 0.000 1.047 275 R CA 0.272 56.335 56.100 -0.062 0.000 1.018 275 R CB 0.181 30.439 30.300 -0.070 0.000 0.962 275 R HN 0.753 nan 8.270 nan 0.000 0.428 276 H N 1.076 120.167 119.070 0.035 0.000 2.423 276 H HA -0.120 4.436 4.556 -0.000 0.000 0.297 276 H C 1.029 176.373 175.328 0.027 0.000 1.075 276 H CA 1.672 57.735 56.048 0.026 0.000 1.342 276 H CB -0.186 29.584 29.762 0.012 0.000 1.395 276 H HN 0.787 nan 8.280 nan 0.000 0.530 277 D N 0.289 120.688 120.400 -0.001 0.000 2.312 277 D HA -0.084 4.556 4.640 0.000 0.000 0.211 277 D C 0.474 176.798 176.300 0.041 0.000 0.964 277 D CA 0.177 54.219 54.000 0.070 0.000 0.877 277 D CB -0.027 40.771 40.800 -0.004 0.000 0.924 277 D HN 0.323 nan 8.370 nan 0.000 0.515 278 L N 1.111 122.352 121.223 0.030 0.000 2.265 278 L HA 0.416 4.756 4.340 0.000 0.000 0.288 278 L C -2.278 174.639 176.870 0.077 0.000 1.058 278 L CA -2.116 52.751 54.840 0.044 0.000 0.809 278 L CB 0.736 42.823 42.059 0.045 0.000 1.179 278 L HN -0.165 nan 8.230 nan 0.000 0.429 279 P HA 0.123 nan 4.420 nan 0.000 0.267 279 P C -1.209 176.218 177.300 0.212 0.000 1.200 279 P CA -0.165 63.001 63.100 0.108 0.000 0.772 279 P CB 0.671 32.388 31.700 0.028 0.000 0.855 280 V N 2.367 122.432 119.914 0.251 0.000 2.459 280 V HA 0.292 4.412 4.120 0.000 0.000 0.295 280 V C 0.704 177.011 176.094 0.356 0.000 1.029 280 V CA -0.592 61.857 62.300 0.249 0.000 0.874 280 V CB 1.413 33.306 31.823 0.117 0.000 0.985 280 V HN 0.733 nan 8.190 nan 0.000 0.438 281 T N 3.168 117.857 114.554 0.225 0.000 2.900 281 T HA 0.176 4.526 4.350 0.000 0.000 0.307 281 T C -1.634 172.909 174.700 -0.262 0.000 1.065 281 T CA -1.095 60.833 62.100 -0.287 0.000 1.105 281 T CB 0.983 69.477 68.868 -0.624 0.000 0.979 281 T HN 0.448 nan 8.240 nan 0.000 0.544 282 P HA -0.087 nan 4.420 nan 0.000 0.216 282 P C 1.689 178.841 177.300 -0.245 0.000 1.153 282 P CA 1.677 64.679 63.100 -0.163 0.000 0.858 282 P CB -0.327 31.320 31.700 -0.087 0.000 0.789 283 A N -0.158 122.399 122.820 -0.437 0.000 1.898 283 A HA -0.087 4.233 4.320 0.000 0.000 0.216 283 A C 2.338 179.702 177.584 -0.367 0.000 1.181 283 A CA 2.086 53.664 52.037 -0.766 0.000 0.620 283 A CB -1.564 17.155 19.000 -0.468 0.000 0.819 283 A HN 0.194 nan 8.150 nan 0.000 0.442 284 A N -0.040 122.647 122.820 -0.222 0.000 1.902 284 A HA 0.149 4.469 4.320 0.000 0.000 0.217 284 A C 2.525 179.968 177.584 -0.235 0.000 1.181 284 A CA 2.151 54.106 52.037 -0.137 0.000 0.623 284 A CB -1.098 17.918 19.000 0.026 0.000 0.818 284 A HN 1.083 nan 8.150 nan 0.000 0.443 285 A N -0.449 122.264 122.820 -0.178 0.000 1.883 285 A HA 0.047 4.367 4.320 0.000 0.000 0.217 285 A C 2.434 179.947 177.584 -0.118 0.000 1.186 285 A CA 2.130 54.078 52.037 -0.149 0.000 0.624 285 A CB -1.457 17.501 19.000 -0.069 0.000 0.822 285 A HN 0.775 nan 8.150 nan 0.000 0.444 286 G N -0.465 108.292 108.800 -0.071 0.000 2.418 286 G HA2 -0.117 3.843 3.960 0.000 0.000 0.217 286 G HA3 -0.117 3.843 3.960 0.000 0.000 0.217 286 G C 1.471 176.525 174.900 0.256 0.000 1.158 286 G CA 1.172 46.354 45.100 0.136 0.000 0.771 286 G HN 0.493 nan 8.290 nan 0.000 0.545 287 L N 0.771 122.051 121.223 0.096 0.000 2.046 287 L HA 0.101 4.441 4.340 0.000 0.000 0.208 287 L C 2.626 179.441 176.870 -0.092 0.000 1.077 287 L CA 1.324 56.127 54.840 -0.062 0.000 0.747 287 L CB -0.431 41.233 42.059 -0.657 0.000 0.896 287 L HN 0.265 nan 8.230 nan 0.000 0.432 288 I N -0.967 119.444 120.570 -0.265 0.000 2.315 288 I HA -0.272 3.898 4.170 0.000 0.000 0.248 288 I C 2.636 178.671 176.117 -0.137 0.000 1.117 288 I CA 0.971 62.085 61.300 -0.310 0.000 1.404 288 I CB -0.314 37.390 38.000 -0.493 0.000 1.071 288 I HN 0.239 nan 8.210 nan 0.000 0.419 289 R N -0.128 120.299 120.500 -0.122 0.000 2.083 289 R HA -0.205 4.135 4.340 0.000 0.000 0.237 289 R C 2.186 178.411 176.300 -0.125 0.000 1.137 289 R CA 2.081 58.084 56.100 -0.162 0.000 0.951 289 R CB -0.426 29.722 30.300 -0.253 0.000 0.851 289 R HN 0.389 nan 8.270 nan 0.000 0.434 290 W N 0.726 122.065 121.300 0.065 0.000 2.358 290 W HA -0.121 4.539 4.660 0.000 0.000 0.303 290 W C 2.016 178.639 176.519 0.173 0.000 1.208 290 W CA 0.513 57.943 57.345 0.142 0.000 1.274 290 W CB -0.185 29.413 29.460 0.231 0.000 1.138 290 W HN 0.048 nan 8.180 nan 0.000 0.515 291 I N -0.132 120.620 120.570 0.303 0.000 2.179 291 I HA -0.350 3.820 4.170 0.000 0.000 0.242 291 I C 2.619 178.814 176.117 0.131 0.000 1.088 291 I CA 1.161 62.575 61.300 0.190 0.000 1.357 291 I CB -0.741 37.297 38.000 0.062 0.000 1.051 291 I HN 0.018 nan 8.210 nan 0.000 0.409 292 Q N -0.082 119.755 119.800 0.063 0.000 2.061 292 Q HA -0.304 4.036 4.340 0.000 0.000 0.204 292 Q C 2.211 178.233 176.000 0.037 0.000 0.984 292 Q CA 2.098 57.916 55.803 0.025 0.000 0.846 292 Q CB -0.697 28.028 28.738 -0.022 0.000 0.902 292 Q HN 0.614 nan 8.270 nan 0.000 0.421 293 H N 0.136 119.168 119.070 -0.063 0.000 2.352 293 H HA -0.125 4.431 4.556 0.000 0.000 0.299 293 H C 1.422 176.657 175.328 -0.154 0.000 1.097 293 H CA 1.768 57.727 56.048 -0.149 0.000 1.311 293 H CB 0.068 29.684 29.762 -0.242 0.000 1.377 293 H HN 0.284 nan 8.280 nan 0.000 0.504 294 H N -0.958 118.165 119.070 0.088 0.000 2.539 294 H HA 0.369 4.925 4.556 0.000 0.000 0.267 294 H C 0.515 175.800 175.328 -0.073 0.000 0.982 294 H CA 0.704 56.749 56.048 -0.005 0.000 1.146 294 H CB 0.214 30.037 29.762 0.101 0.000 1.382 294 H HN 0.423 nan 8.280 nan 0.000 0.577 295 A N 1.250 124.073 122.820 0.004 0.000 3.159 295 A HA 0.436 4.756 4.320 0.000 0.000 0.301 295 A C -0.044 177.551 177.584 0.019 0.000 1.271 295 A CA -0.315 51.668 52.037 -0.090 0.000 0.998 295 A CB -0.793 18.163 19.000 -0.073 0.000 1.101 295 A HN 0.251 nan 8.150 nan 0.000 0.610 296 L N 0.000 121.225 121.223 0.004 0.000 2.949 296 L HA 0.000 4.340 4.340 0.000 0.000 0.249 296 L CA 0.000 54.874 54.840 0.056 0.000 0.813 296 L CB 0.000 42.059 42.059 0.001 0.000 0.961 296 L HN 0.000 nan 8.230 nan 0.000 0.502